A0A077Z8N2_TRITR Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A077Z8N2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 2,428 aa.

						>A0A077Z8N2_TRITR|A0A077Z8N2
MAPVLKLTLLPGPFVLARVCPSAYLRGGRRLASVRAWRWLAMVAGKFTAAAAAPLLAWPRLPWLALGRKETSAFASSNLQMSDPVTTTTFDDAVNRADPSPRSPNKVDLQSANVLDQDCPPTAVVDEKEEEMEEDEADDAGQSQNIEATDDVEEYDPTDDEPNVASATAAAVDNVVSASNVASSMMPSSFALCKSTVCGECGTMIKNAANLEVHMRRHLQYRPYYCIHCEYKGYDVDDVGRHTSRAHPEKPQNLNFKPTADLENRVKEMISACRKIGGGATTLSSVPVSKGSGFDMIDPSSFAGISSADCMQLTETGDMDPNCSSFANVSSLMMGSESQRMFSGLLYAALASLDLDNLKCGYCSEMVANKPDAILRHVFRHVRFNRFGCSFCGSVTSTLAQYEAHLQRMHSEYNLSALMDQTRHLIRREASFLVETIFLIIGQIAKLTCSLCDEKVMWRWNSLLAHVRQHEGGFPYQCLLCNSPFVDQVSVLQHLQCVHGGRSANASYSTNWGTEEVVERHLSKCFPIFASDKFDPIIDNLFTDCDTTDGGGTVFTERADEKTLNDSTKGLDQLTGCSARAPTKSTLYCNLCQAKISRNMSCLIAHAKVHLAYKPLKCEYCNFRHFAMSKIRRHNTRVHGSKPVRVSYHPVPDIGKQIKQMKLECFGITSSGGTQNRSSLIEDDSLFDDVPPECASSEGEQTTTTTAGGDSAVGEKTSALLDRRSPASKENLYIGSDLLQNFLVPTDCRYGNSGGDHGDGVVVKKETAYLTEPCEMPGLGKKICCLCSTYIANNPSSFENHACKHLDYKPYHCHYCTYQSYIRGKVTRHIQQVHSGLPVKIIHKPVPGIKDRIISMKFRCFPFLAGFPSDRGAPGASSCGSGSVSALHGGGNSGSNADGSSLNATVTCQLCLQNVLANDTAFNDHLSAHISHKFFHCPVCTYATNFLIRAKQHVHSAHPHSQETRIICCPPDGMKGLQELRVKCFGNMTSNPGTTTRDTTASGGRGRRAPAGSDESKVAPIVGVRSSTSPVNNSNDKASSSTDSKNPVDSGNNSNGKANITLCGQESAAIDCAADQSMTCQICSEAVCRQLSSLVLHARQHLDHKPFQCAYCSWKSQEEEDVKQHITRSHRNVPLKVLFHPERTMVSRIVQRCFPALSNLDGNGSQLLLSGGSSPNSTISGISPVVLTPGTPNASTILRKLVCKLCNGSIADNPKSIGIHVKNHLNYKPYRCPYCRYMSCEQSKARRHVEHVHNISGDAIEIHAEENIKEKITDMKARCFPNLGQVSLGDFYTCDELTVQDLRPMLASSKRGLMDETLDHREAHAFGDGDSVYECRMCHDKMTLESVENHVRTHLGKMYRCPHCNSRFWTEEKVKFHIQTVHPNVPPQKVLFQEEDVKKLVLYVRKRCFPEVESSRAQNYDESLLSNGSGVCSKRARLLDDSGLSGIVSPEGVVSDLDAFEDLLPEGALSCGRLLCHVCKQAVLVHRSSWEIHVTKHLKFKAHHCSCCNFKAYTAVRVKSHVQSAHPDRECHVNSLGDYTPGLKEVLTDMRALCFPVGSPAEENVADVGRQVEDLRLRLAGELEALATSFGGTSPTDEGKPTEIKEEGNVDDSAGSQANLAGKMRCLICSAAISPSSLGLHVRNHLDYKPFHCKLCDYKSCLLARVRQHLQSAHQCQDLEVVYKSEPDIRQKLATMRRRCFPDANQDDSLDLALDSMEASDGSDVDDGLDGGSLDGDSSTISSNGAMDFESAVDDSNDCMREEGMQSISSLMNSMLGVSTLNEEEMDTTQATSSGEKADAALRDADDRDKTDDGLSEVECQICGERIVNGDLTRTKHLTRHLGDYEFRCYYCEFSSFVQTETLKHVTAAHAGSPVRVARSSLGTKQISAAYERLSQQCFPKGSNTPKITASASQSLSARKGTSQTINQNVMCAICSVSMQSSDDEALLNHVRYHLRETCFKCNHCDFLHLQSSVVKEHTRGVHPGKSSRILTMTGDENDDLELWKTWCFPEWNTYMSEMADAELDELEELEEADDDEDAEDEASVASANGAALKRGSSATRVLSADGPRYICQLCKSPVSMYASSLYVHVKNHMNYKPYCCGHCDYKSPVKSKVRRHIQNAHKGLPATINYFPTPGIDHEVLRWKKRCFPEVTSFATLANDKVPCLLCKTDVADTLLSKSVHAKNHLDSKPYHCGYCPYRSCLRGETRRHVVRQHIGLPVNIVFKEPEVAAKEKVNRMIEQCFGTPGTTRGPSSRTTSSQNKDKQSPEDKSLCGDASAKMVAASNSKNNNGNTSTEVASGATEPDTSTKSSNPVSSSLSTSGYNLRTTRSSTIRSAQGTSSSQTAATAASSLASATSSSSASASKKGESSGGKNSGSMDVRLGQAYRVWHCRYCNFMAHSKYSVKQHCLGEHPGKPVEVLNVNRDCKK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.4	Low	39.9	Very low	178 Å²	178	125.5 Å²	125.5	88%	0.877	71%	0.706	S	S	*	*				0	154.3	0	-73.6	-65	-168.1	0	0	108.4	P3 A1868	M1-P3 WeakPolarHBondContact SD-CD 3.36Å; M1-A1868 PolarHBondContact N-O 2.88Å
2	A	34.9	Very low	39.5	Very low	75 Å²	75	119.7 Å²	119.7	62%	0.62	69%	0.694	S	S	*	*			cis	-91	94.2	-4.8	0	0	0	0	0	110.7
3	P	46.8	Very low	39.2	Very low	70 Å²	70	115.5 Å²	115.5	46%	0.455	67%	0.674	S	S	.	*			trans	44.1	160.7	-171.6	-32.7	6.5	0	0	0	119.3	M1 L5 A1871	M1-P3 WeakPolarHBondContact SD-CD 3.36Å; P3-L5 PolarHBondContact O-N 3.35Å; P3-A1871 WeakPolarHBondContact O-CB 3.45Å
4	V	37.5	Very low	40	Very low	117 Å²	117	119.7 Å²	119.7	71%	0.709	68%	0.68	S	S	*	*				56.2	41.8	87.8	-160	0	0	0	0	114	K6	V4-K6 HydrophobicContact CG1-CB 4.42Å; V4-K6 HydrophobicContact CG1-CD 3.9Å; V4-K6 WeakPolarHBondContact O-CB 3.41Å
5	L	56	Low	40.4	Very low	126 Å²	126	120 Å²	120	66%	0.66	69%	0.685	S	S	*	*			trans	-100.5	114.4	157.4	-69.4	162.4	0	0	0	109.7	P3	P3-L5 PolarHBondContact O-N 3.35Å
6	K	24.5	Very low	40.5	Very low	123 Å²	123	122.1 Å²	122.1	54%	0.535	69%	0.692	S	S	.	*			cis	59.5	167.5	-6.9	-81.9	-171.3	-171.8	-175.6	0	116.3	V4 T8 L9	V4-K6 HydrophobicContact CG1-CB 4.42Å; V4-K6 HydrophobicContact CG1-CD 3.9Å; V4-K6 WeakPolarHBondContact O-CB 3.41Å; K6-T8 VanDerWaalsContact C-N 3.28Å; K6-L9 HydrophobicContact CG-CD1 4.44Å; K6-L9 HydrophobicContact CG-CG 4.27Å
7	L	33.1	Very low	39.9	Very low	159 Å²	159	119.9 Å²	119.9	83%	0.832	69%	0.693	S	S	*	*	S	Bend	cis	-59.4	-29.6	-2.3	-56.3	170.9	0	0	0	114	L9	L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.32Å
8	T	43.8	Very low	39.6	Very low	133 Å²	133	125.7 Å²	125.7	82%	0.816	70%	0.701	S	S	*	*			trans	-86.5	53.1	-138.2	45.5	0	0	0	0	115.6	K6	K6-T8 VanDerWaalsContact C-N 3.28Å
9	L	29.6	Very low	39.6	Very low	112 Å²	112	125.3 Å²	125.3	59%	0.586	70%	0.702	S	S	*	*			trans	-63.7	143.9	-178.8	-80.3	172.7	0	0	0	115.5	K6 L7	K6-L9 HydrophobicContact CG-CD1 4.44Å; K6-L9 HydrophobicContact CG-CG 4.27Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.32Å
10	L	30.4	Very low	39	Very low	158 Å²	158	124.6 Å²	124.6	83%	0.827	71%	0.705	S	S	*	*			trans	14.9	111.5	143	-65.2	169.1	0	0	0	119
11	P	46.1	Very low	38.5	Very low	130 Å²	130	123.9 Å²	123.9	84%	0.844	71%	0.705	S	S	*	*			trans	-122.5	135	141.2	33.7	-23.9	0	0	0	111.7
12	G	35.4	Very low	36.8	Very low	55 Å²	55	118.5 Å²	118.5	57%	0.567	69%	0.685	S	S	*	*			trans	-169.2	156.8	175.4	0	0	0	0	0	117.6
13	P	34.8	Very low	36.5	Very low	66 Å²	66	119.1 Å²	119.1	43%	0.429	69%	0.69	S	S	.	*			trans	-64.6	164.8	164.2	25.1	-29.4	0	0	0	111.1	N1132	P13-N1132 VanDerWaalsContact C-CB 3.43Å; P13-N1132 VanDerWaalsContact C-ND2 3.35Å; P13-N1132 HydrophobicContact CB-CB 3.83Å; P13-N1132 HydrophobicContact CG-CB 3.86Å; P13-N1132 VanDerWaalsContact O-CB 3.3Å; P13-N1132 WeakPolarHBondContact O-CB 3.5Å; P13-N1132 PolarHBondContact O-ND2 2.96Å
14	F	50.3	Low	36	Very low	174 Å²	174	126.2 Å²	126.2	76%	0.763	71%	0.709	S	S	*	*			cis	75.1	124.1	-7	-68.5	-86.5	0	0	0	121.6	N1132	F14-N1132 VanDerWaalsContact N-CG 3.31Å; F14-N1132 PolarHBondContact N-ND2 2.85Å; F14-N1132 VanDerWaalsContact N-ND2 3.13Å
15	V	46.4	Very low	36.1	Very low	124 Å²	124	124.6 Å²	124.6	75%	0.752	70%	0.696	S	S	*	*			trans	73.7	112	161.1	-174.1	0	0	0	0	118.5
16	L	42.7	Very low	35.3	Very low	153 Å²	153	122.8 Å²	122.8	80%	0.801	68%	0.681	S	S	*	*			cis	-168.6	135.5	-21.8	-119.8	163.6	0	0	0	111.5
17	A	28.8	Very low	35.9	Very low	85 Å²	85	119.2 Å²	119.2	70%	0.702	68%	0.678	S	S	*	*			trans	79.6	123.9	154.1	0	0	0	0	0	123.9
18	R	35.1	Very low	36.1	Very low	224 Å²	224	114.2 Å²	114.2	85%	0.845	67%	0.666	S	S	*	*			trans	76.1	148.7	144.7	-72.9	-177.6	178.9	-167	-0.9	120.5
19	V	39.5	Very low	35.9	Very low	118 Å²	118	110.1 Å²	110.1	72%	0.715	64%	0.635	S	S	*	*			cis	-162.7	136.1	-20.1	114.7	0	0	0	0	112.3
20	C	28	Very low	36.4	Very low	112 Å²	112	108.7 Å²	108.7	76%	0.757	62%	0.622	S	S	*	*			trans	30.4	-164.4	144.9	-45.9	0	0	0	0	122.2
21	P	29.3	Very low	37	Very low	110 Å²	110	106.2 Å²	106.2	71%	0.714	61%	0.609	S	S	*	*				-128.8	147.2	-98.2	39.2	-21.9	0	0	0	117.3
22	S	20.3	Very low	36.9	Very low	65 Å²	65	103.6 Å²	103.6	46%	0.455	60%	0.598	S	S	.	*				33.6	165.5	114.5	-36.3	0	0	0	0	122.5	E1120	S22-E1120 WeakPolarHBondContact CB-OE1 3.49Å; S22-E1120 WeakPolarHBondContact OG-CG 3.28Å; S22-E1120 PolarHBondContact OG-OE1 3.1Å
23	A	27.6	Very low	37.2	Very low	88 Å²	88	105 Å²	105	73%	0.727	60%	0.6	S	S	*	*			trans	68.7	86.4	-179.9	0	0	0	0	0	116.8
24	Y	36.9	Very low	37.6	Very low	219 Å²	219	104.5 Å²	104.5	86%	0.859	60%	0.595	S	S	*	*				-136.3	132	116	-124.2	-85.4	0	0	0	108.8
25	L	39.9	Very low	37	Very low	83 Å²	83	100.6 Å²	100.6	44%	0.435	58%	0.575	S	S	.	*			trans	-135.7	139.7	-172.6	-106	176.1	0	0	0	109	S1092	L25-S1092 WeakPolarHBondContact CD2-OG 3.42Å
26	R	39.5	Very low	36.6	Very low	88 Å²	88	97.8 Å²	97.8	33%	0.332	57%	0.565	S	S	.	*			trans	65	148.8	153.8	-51.9	152.3	-178.7	-161.6	11.5	116.9	Q1090 S1092 S1093 L1096	R26-Q1090 HydrophobicContact CB-CB 3.42Å; R26-Q1090 VanDerWaalsContact CB-CB 3.42Å; R26-Q1090 HydrophobicContact CB-CG 3.34Å; R26-Q1090 HydrophobicContact CG-CB 4Å; R26-Q1090 HydrophobicContact CG-CG 4.37Å; R26-Q1090 PolarHBondContact O-NE2 3.31Å; R26-S1092 WeakPolarHBondContact CG-OG 3.47Å; R26-S1092 PolarHBondContact N-OG 2.88Å; R26-S1093 WeakPolarHBondContact CD-OG 3.48Å; R26-S1093 PolarHBondContact NE-OG 3.31Å; R26-S1093 VanDerWaalsContact NH1-CB 3.34Å; R26-S1093 PolarHBondContact NH1-OG 3.15Å; R26-L1096 VanDerWaalsContact NH2-CD1 3.33Å
27	G	36.6	Very low	35.9	Very low	47 Å²	47	98.7 Å²	98.7	49%	0.485	56%	0.558	S	S	.	*			cis	145.4	169.2	-9.2	0	0	0	0	0	114.8	Q1090	G27-Q1090 VanDerWaalsContact O-CA 3.3Å; G27-Q1090 WeakPolarHBondContact O-CA 3.28Å
28	G	37.1	Very low	35.9	Very low	55 Å²	55	101.6 Å²	101.6	57%	0.567	55%	0.551	S	S	*	*			trans	88.8	153.3	155.6	0	0	0	0	0	120	R1089	G28-R1089 VanDerWaalsContact CA-O 3.26Å; G28-R1089 WeakPolarHBondContact CA-O 3.35Å
29	R	39.1	Very low	35.4	Very low	46 Å²	46	99.8 Å²	99.8	17%	0.174	54%	0.544	C	S	.	.			cis	-171.2	131.9	-15.3	-134.1	-159.7	-175.4	173.7	13	113.4	M1078 R1089 L1094	R29-M1078 VanDerWaalsContact NH1-CB 3.34Å; R29-R1089 HydrophobicContact CB-CB 4.22Å; R29-R1089 HydrophobicContact CB-CG 4.25Å; R29-R1089 WeakPolarHBondContact CG-O 3.37Å; R29-L1094 HydrophobicContact CG-CD1 4.42Å; R29-L1094 VanDerWaalsContact NH2-CD1 3.29Å
30	R	39.7	Very low	35	Very low	83 Å²	83	100 Å²	100	31%	0.313	54%	0.541	S	S	.	.			trans	67.9	167.8	158.1	-53.9	-172	-175.9	165.5	-6.2	118.7	M1078 A1156 L1157	R30-M1078 VanDerWaalsContact NH1-CE 3.26Å; R30-A1156 PolarHBondContact NE-O 2.96Å; R30-A1156 VanDerWaalsContact NH1-CB 3.3Å; R30-A1156 PolarHBondContact NH1-O 3.37Å; R30-A1156 VanDerWaalsContact NH1-O 3.14Å; R30-A1156 PolarHBondContact NH2-O 3.06Å; R30-L1157 VanDerWaalsContact NH2-N 3.14Å
31	L	43.1	Very low	35.1	Very low	106 Å²	106	96.5 Å²	96.5	56%	0.555	52%	0.52	S	S	*	.			cis	-162.8	148.9	3.8	-129.5	152.9	0	0	0	111.6	L1160	L31-L1160 HydrophobicContact CB-CD1 4.37Å; L31-L1160 HydrophobicContact CD2-CD1 3.6Å; L31-L1160 HydrophobicContact CD2-CD2 4.17Å; L31-L1160 HydrophobicContact CD2-CG 3.59Å; L31-L1160 HydrophobicContact CG-CD1 3.64Å; L31-L1160 HydrophobicContact CG-CG 4.2Å
32	A	44.4	Very low	35	Very low	75 Å²	75	96.6 Å²	96.6	62%	0.62	51%	0.512	S	S	*	.			trans	74	164.4	158.7	0	0	0	0	0	123.2
33	S	43	Very low	35.4	Very low	85 Å²	85	98.2 Å²	98.2	59%	0.594	52%	0.519	S	S	*	.			cis	-177.9	125.7	-33.7	70.3	0	0	0	0	120
34	V	41.9	Very low	35.5	Very low	54 Å²	54	97.7 Å²	97.7	33%	0.327	51%	0.514	S	S	.	.				80.2	0	103.1	165.8	0	0	0	0	118.4	G1164 S1165 Q1166 L1167	V34-G1164 WeakPolarHBondContact CG2-O 3.43Å; V34-S1165 WeakPolarHBondContact CA-O 3.34Å; V34-S1165 WeakPolarHBondContact CB-O 3.28Å; V34-S1165 WeakPolarHBondContact CG2-O 3.41Å; V34-Q1166 VanDerWaalsContact CG1-CA 3.46Å; V34-L1167 HydrophobicContact CB-CB 4.5Å; V34-L1167 HydrophobicContact CB-CG 4.03Å; V34-L1167 HydrophobicContact CG1-CB 3.95Å; V34-L1167 HydrophobicContact CG1-CD2 4.01Å; V34-L1167 HydrophobicContact CG1-CG 3.72Å; V34-L1167 WeakPolarHBondContact O-CD1 3.13Å; V34-L1167 WeakPolarHBondContact O-CG 3.5Å
35	R	38.9	Very low	35.1	Very low	92 Å²	92	90.7 Å²	90.7	35%	0.347	51%	0.509	S	S	.	.				0	-167.5	0	-132.5	-163.2	-176.8	102.6	40.1	117.2	Q1166 L1167 L1169	R35-Q1166 VanDerWaalsContact CA-CG 3.44Å; R35-Q1166 HydrophobicContact CB-CB 4.22Å; R35-Q1166 HydrophobicContact CB-CG 4.48Å; R35-Q1166 VanDerWaalsContact CG-C 3.4Å; R35-Q1166 HydrophobicContact CG-CB 3.56Å; R35-Q1166 HydrophobicContact CG-CG 4.19Å; R35-Q1166 PolarHBondContact NH2-O 3.33Å; R35-Q1166 PolarHBondContact O-NE2 2.86Å; R35-L1167 VanDerWaalsContact CA-N 3.28Å; R35-L1167 HydrophobicContact CB-CB 3.83Å; R35-L1167 VanDerWaalsContact CB-N 3.26Å; R35-L1167 WeakPolarHBondContact CD-O 3.2Å; R35-L1167 HydrophobicContact CG-CB 4.43Å; R35-L1167 VanDerWaalsContact CG-O 3.27Å; R35-L1167 WeakPolarHBondContact CG-O 3.35Å; R35-L1167 VanDerWaalsContact N-N 3.2Å; R35-L1167 PolarHBondContact NH1-O 3.05Å; R35-L1169 VanDerWaalsContact NH1-N 3.17Å; R35-L1169 PolarHBondContact NH1-O 3.26Å
36	A	36.3	Very low	34.4	Very low	66 Å²	66	95 Å²	95	55%	0.545	52%	0.524	S	S	.	.			cis	-136.4	-178.4	-0.7	0	0	0	0	0	119.9	Q1166	A36-Q1166 VanDerWaalsContact CA-CD 3.41Å; A36-Q1166 VanDerWaalsContact O-CD 3.32Å; A36-Q1166 PolarHBondContact O-NE2 3.43Å; A36-Q1166 PolarHBondContact O-OE1 2.67Å; A36-Q1166 VanDerWaalsContact O-OE1 3.04Å
37	W	28.2	Very low	33.8	Very low	171 Å²	171	98.7 Å²	98.7	65%	0.648	54%	0.543	S	S	*	.			trans	-85.4	178.7	-174.3	-85.9	12.9	0	0	0	116.2
38	R	29.6	Very low	33.2	Very low	146 Å²	146	101.5 Å²	101.5	55%	0.551	55%	0.551	S	S	*	*			cis	-170.6	157	-4.3	-118	-170.1	-175.7	-160.1	3.4	114.6
39	W	25.5	Very low	32.7	Very low	186 Å²	186	103.5 Å²	103.5	71%	0.705	56%	0.562	S	S	*	*			trans	72.6	157.4	140.3	-81.3	22.8	0	0	0	122.3
40	L	31	Very low	31.9	Very low	124 Å²	124	105.9 Å²	105.9	65%	0.649	59%	0.592	S	S	*	*			cis	-169.5	159.5	-21.1	-121.8	-165.7	0	0	0	112.7
41	A	28.2	Very low	31.2	Very low	38 Å²	38	106.8 Å²	106.8	31%	0.314	62%	0.617	S	S	.	*			trans	63.1	152.9	145.8	0	0	0	0	0	121.1	H888 G890	A41-H888 CarbonylContact C-O 3.45Å; A41-H888 VanDerWaalsContact CA-O 3.24Å; A41-H888 WeakPolarHBondContact CA-O 3.37Å; A41-G890 WeakPolarHBondContact O-CA 3.25Å
42	M	28	Very low	30.5	Very low	112 Å²	112	106.7 Å²	106.7	55%	0.552	63%	0.631	S	S	*	*			cis	-169.6	177.4	-1.9	-119.3	176.3	-169.7	0	0	110.7	H888 G889 G890	M42-H888 HydrophobicContact CG-CB 4.05Å; M42-H888 PolarHBondContact N-O 2.83Å; M42-G889 CarbonylContact O-C 3.3Å; M42-G890 WeakPolarHBondContact O-CA 3.21Å; M42-G890 PolarHBondContact O-N 2.94Å
43	V	29	Very low	29.5	Very low	98 Å²	98	107.5 Å²	107.5	59%	0.594	64%	0.638	S	S	*	*			cis	-160.5	162.6	-1	79.7	0	0	0	0	112.8
44	A	28.7	Very low	29	Very low	77 Å²	77	109.3 Å²	109.3	64%	0.636	65%	0.648	S	S	*	*			trans	46.5	132	152.8	0	0	0	0	0	128
45	G	28.4	Very low	28.2	Very low	72 Å²	72	113.7 Å²	113.7	74%	0.742	67%	0.669	S	S	*	*				106.3	163.9	115.7	0	0	0	0	0	120.5
46	K	26.4	Very low	27.6	Very low	174 Å²	174	117.2 Å²	117.2	76%	0.757	69%	0.693	S	S	*	*			cis	-175.2	144.9	-18.6	-122.2	-162.8	-179.9	-176.4	0	112.1
47	F	25.7	Very low	27	Very low	165 Å²	165	118 Å²	118	72%	0.724	70%	0.7	S	S	*	*			trans	68.5	158.7	144.9	-85.4	-138.9	0	0	0	119.8
48	T	25.7	Very low	26.6	Very low	107 Å²	107	120 Å²	120	66%	0.656	71%	0.708	S	S	*	*			cis	-169.5	167.7	-22.9	24	0	0	0	0	111.1
49	A	25.2	Very low	26.5	Very low	97 Å²	97	118.9 Å²	118.9	80%	0.802	72%	0.719	S	S	*	*			trans	75.6	155.2	145.4	0	0	0	0	0	119.7
50	A	23.5	Very low	26.3	Very low	96 Å²	96	119.2 Å²	119.2	79%	0.793	72%	0.72	S	S	*	*			cis	-171.7	-179.8	-21.1	0	0	0	0	0	112
51	A	24.8	Very low	25.8	Very low	102 Å²	102	120.8 Å²	120.8	84%	0.843	73%	0.729	S	S	*	*			trans	105.9	162.6	144.5	0	0	0	0	0	120.9
52	A	27.3	Very low	26.1	Very low	104 Å²	104	123.5 Å²	123.5	86%	0.86	74%	0.743	S	S	*	*			trans	75.7	95.1	170.8	0	0	0	0	0	120.1
53	A	23.3	Very low	25.7	Very low	92 Å²	92	127.1 Å²	127.1	76%	0.76	75%	0.751	S	S	*	*			trans	-93.8	158.9	147	0	0	0	0	0	109.8
54	P	33.7	Very low	25.4	Very low	123 Å²	123	126.9 Å²	126.9	80%	0.799	75%	0.746	S	S	*	*				-146.8	-151.2	104	36.9	-18.4	0	0	0	113.5
55	L	24.5	Very low	25.1	Very low	146 Å²	146	125.9 Å²	125.9	76%	0.764	74%	0.737	S	S	*	*				-153.3	157	-89.9	-93.7	174.4	0	0	0	111.5
56	L	27.2	Very low	24.9	Very low	165 Å²	165	129.1 Å²	129.1	86%	0.864	74%	0.737	S	S	*	*			trans	65.7	155.6	161	-62.7	159.8	0	0	0	117.8
57	A	23.6	Very low	24.9	Very low	84 Å²	84	121.7 Å²	121.7	69%	0.694	71%	0.71	S	S	*	*			cis	-158.8	162.3	-22.3	0	0	0	0	0	111.8
58	W	18.7	Very low	24.8	Very low	212 Å²	212	121.2 Å²	121.2	80%	0.803	70%	0.703	S	S	*	*			trans	-74	162.6	-178.3	-55.1	-20.9	0	0	0	115.2	R60	W58-R60 HydrophobicContact CE3-CG 4.24Å
59	P	27.2	Very low	24.8	Very low	122 Å²	122	122.6 Å²	122.6	79%	0.792	70%	0.7	S	S	*	*				-125.4	153.2	87.3	9.4	12	0	0	0	112.6
60	R	21.7	Very low	24.6	Very low	193 Å²	193	126 Å²	126	73%	0.728	70%	0.7	S	S	*	*			cis	73.8	104.4	47	-73	-171	172.3	-172.4	-0.7	115.9	W58	W58-R60 HydrophobicContact CE3-CG 4.24Å
61	L	21.8	Very low	24.7	Very low	157 Å²	157	128.8 Å²	128.8	82%	0.822	71%	0.707	S	S	*	*				41.6	154.7	124.5	-62.8	165.2	0	0	0	121
62	P	33.6	Very low	24.6	Very low	96 Å²	96	129.7 Å²	129.7	62%	0.623	71%	0.707	S	S	*	*			cis	-146.6	-170.9	-32.1	42.6	-24	0	0	0	115.2
63	W	19	Very low	24.4	Very low	188 Å²	188	129 Å²	129	71%	0.712	70%	0.701	S	S	*	*			trans	75.9	133.1	147	-78.4	12.8	0	0	0	123.6
64	L	23.2	Very low	24.3	Very low	92 Å²	92	134.1 Å²	134.1	48%	0.482	71%	0.707	S	S	.	*			trans	70.3	125.6	138.3	-80.1	158.8	0	0	0	125.3	L680	L64-L680 HydrophobicContact CD2-CB 3.95Å; L64-L680 WeakPolarHBondContact CD2-O 3.25Å
65	A	22.7	Very low	23.9	Very low	56 Å²	56	132.4 Å²	132.4	46%	0.463	70%	0.703	S	S	.	*			trans	77.7	157.2	140.6	0	0	0	0	0	122.3	I681	A65-I681 HydrophobicContact CB-CG2 4.07Å
66	L	24.9	Very low	23.7	Very low	140 Å²	140	130.4 Å²	130.4	73%	0.733	70%	0.701	S	S	*	*			trans	87.8	151.7	175.6	-52.4	-175.1	0	0	0	116.7	E682 D683	L66-E682 PolarHBondContact N-O 3.05Å; L66-E682 VanDerWaalsContact N-O 3.16Å; L66-D683 CarbonylContact C-O 3.6Å
67	G	26	Very low	23.5	Very low	18 Å²	18	128 Å²	128	19%	0.186	70%	0.697	C	S	.	*			cis	-166.8	97.5	8.9	0	0	0	0	0	120.1	D683 D684 S685	G67-D683 WeakPolarHBondContact CA-OD2 3.21Å; G67-D683 PolarHBondContact N-O 3.04Å; G67-D684 VanDerWaalsContact C-C 3.47Å; G67-D684 CarbonylContact C-O 3.44Å; G67-D684 WeakPolarHBondContact CA-O 3.08Å; G67-D684 PolarHBondContact N-O 2.7Å; G67-D684 VanDerWaalsContact O-O 3.06Å; G67-S685 PolarHBondContact O-OG 3.02Å
68	R	24	Very low	23.4	Very low	155 Å²	155	130.4 Å²	130.4	59%	0.585	70%	0.699	S	S	*	*			trans	94	121.6	141.5	-53	142.3	159.7	-162.3	-2.1	123.4	D683 D684 S685	R68-D683 VanDerWaalsContact CA-OD1 3.32Å; R68-D683 WeakPolarHBondContact CA-OD1 3.45Å; R68-D683 WeakPolarHBondContact CG-OD2 3.33Å; R68-D683 PolarHBondContact N-OD1 2.85Å; R68-D683 VanDerWaalsContact N-OD1 3.15Å; R68-D683 PolarHBondContact N-OD2 2.98Å; R68-D684 VanDerWaalsContact C-CB 3.45Å; R68-D684 PolarHBondContact N-O 3.33Å; R68-S685 WeakPolarHBondContact O-CB 3.47Å; R68-S685 PolarHBondContact O-OG 2.75Å
69	K	23.8	Very low	23.6	Very low	137 Å²	137	127.1 Å²	127.1	60%	0.596	70%	0.696	S	S	*	*			trans	66.9	175.1	143.5	-48	155.6	-176.6	-179.6	0	116.1	D684	K69-D684 VanDerWaalsContact N-CG 3.27Å; K69-D684 PolarHBondContact N-OD2 2.93Å; K69-D684 WeakPolarHBondContact O-CB 3.13Å
70	E	22.8	Very low	23.2	Very low	169 Å²	169	129.8 Å²	129.8	79%	0.79	70%	0.698	S	S	*	*			cis	-139.1	142.8	12.6	-65.9	-178	148.1	0	0	113.9
71	T	25.3	Very low	23.2	Very low	153 Å²	153	129.2 Å²	129.2	94%	0.939	71%	0.706	S	S	*	*				-171.7	144	127.5	13.4	0	0	0	0	110.6
72	S	22.9	Very low	23.2	Very low	121 Å²	121	125.9 Å²	125.9	85%	0.846	70%	0.696	S	S	*	*			trans	-140.5	127.6	176.2	54.2	0	0	0	0	111.3
73	A	22.5	Very low	22.7	Very low	89 Å²	89	128.3 Å²	128.3	74%	0.736	70%	0.704	S	S	*	*			trans	-174	142.6	157.6	0	0	0	0	0	112.5
74	F	21.6	Very low	23.5	Very low	201 Å²	201	124.4 Å²	124.4	88%	0.882	70%	0.703	S	S	*	*			trans	51	99.4	158.6	-71.9	-70.8	0	0	0	122
75	A	23.9	Very low	23.3	Very low	87 Å²	87	125.9 Å²	125.9	72%	0.719	72%	0.715	S	S	*	*				72.8	152.9	118.3	0	0	0	0	0	121.3
76	S	21.6	Very low	23.2	Very low	103 Å²	103	128.7 Å²	128.7	72%	0.72	73%	0.727	S	S	*	*			cis	-172	130.5	-27.8	-96.3	0	0	0	0	109.2
77	S	22.9	Very low	23.1	Very low	114 Å²	114	127.5 Å²	127.5	80%	0.797	73%	0.725	S	S	*	*			trans	64.9	158.2	166.6	85.5	0	0	0	0	115.8
78	N	21.1	Very low	22.9	Very low	135 Å²	135	132.2 Å²	132.2	72%	0.722	75%	0.751	S	S	*	*			cis	-158.3	160.5	-9.7	-132.4	-7.5	0	0	0	110.1
79	L	23.3	Very low	22.9	Very low	144 Å²	144	130.9 Å²	130.9	75%	0.754	76%	0.76	S	S	*	*			trans	56.6	118.5	158.9	-59.1	163.3	0	0	0	117.1
80	Q	19.6	Very low	22.7	Very low	178 Å²	178	133 Å²	133	83%	0.832	77%	0.769	S	S	*	*			cis	64	91.1	10.5	-163.9	-176.3	22.2	0	0	116.1
81	M	20.1	Very low	22.8	Very low	180 Å²	180	131.3 Å²	131.3	89%	0.887	77%	0.766	S	S	*	*				-166.4	164.9	123.3	-114.9	-177.5	168.6	0	0	113.9
82	S	21.7	Very low	22.7	Very low	88 Å²	88	131 Å²	131	62%	0.615	76%	0.759	S	S	*	*			trans	-77.1	175.8	165.3	49.3	0	0	0	0	110.1
83	D	23.7	Very low	22.8	Very low	146 Å²	146	129 Å²	129	78%	0.781	75%	0.749	S	S	*	*			cis	-155.8	179	39.4	-98.2	-65.7	0	0	0	112
84	P	35.3	Very low	22.8	Very low	107 Å²	107	130.5 Å²	130.5	70%	0.695	75%	0.749	S	S	*	*			trans	-108.4	-173.6	-159.4	41.3	-37.5	0	0	0	117.2
85	V	20.3	Very low	23.1	Very low	123 Å²	123	126.6 Å²	126.6	75%	0.745	74%	0.737	S	S	*	*			trans	100.7	102.9	155.5	173.7	0	0	0	0	119.9
86	T	20.8	Very low	23.1	Very low	114 Å²	114	132.9 Å²	132.9	70%	0.699	74%	0.743	S	S	*	*			trans	61.4	139.8	142	61.9	0	0	0	0	126
87	T	22.1	Very low	23.3	Very low	115 Å²	115	132.7 Å²	132.7	71%	0.706	75%	0.747	S	S	*	*			trans	78.5	118.9	138.1	43.9	0	0	0	0	123.6
88	T	21.3	Very low	23.3	Very low	118 Å²	118	133.7 Å²	133.7	72%	0.724	74%	0.744	S	S	*	*			trans	53.7	125.9	137.3	60.1	0	0	0	0	121.6
89	T	23.8	Very low	23.6	Very low	127 Å²	127	133.3 Å²	133.3	78%	0.779	75%	0.748	S	S	*	*				177.2	152.2	104.6	28.9	0	0	0	0	114.2
90	F	21	Very low	23.6	Very low	180 Å²	180	130.8 Å²	130.8	79%	0.789	74%	0.743	S	S	*	*			trans	26.4	142	148.2	-76.4	-79.3	0	0	0	126
91	D	23.4	Very low	24.2	Very low	134 Å²	134	127.4 Å²	127.4	72%	0.717	74%	0.736	S	S	*	*			trans	82.6	139.7	134.6	-67.9	-27.5	0	0	0	125.9
92	D	24.4	Very low	24.4	Very low	148 Å²	148	130.3 Å²	130.3	79%	0.791	74%	0.737	S	S	*	*			trans	71.7	107.3	144.9	-86.7	-24.1	0	0	0	124.8
93	A	24.1	Very low	24.4	Very low	78 Å²	78	131 Å²	131	65%	0.645	74%	0.742	S	S	*	*				85.8	114.5	111.3	0	0	0	0	0	122.8
94	V	23.8	Very low	24.7	Very low	121 Å²	121	129.6 Å²	129.6	73%	0.733	74%	0.741	S	S	*	*			trans	68.5	112.8	131.5	-179.3	0	0	0	0	119
95	N	27.6	Very low	24.2	Very low	118 Å²	118	131.2 Å²	131.2	63%	0.631	74%	0.744	S	S	*	*				-173.5	135.7	112.8	-103.1	-72.3	0	0	0	114.2
96	R	23.6	Very low	24.3	Very low	220 Å²	220	134.6 Å²	134.6	83%	0.83	75%	0.749	S	S	*	*			trans	25.7	137.7	140.3	-59.5	172.3	169.4	98.2	-4.5	119.3
97	A	25.8	Very low	24.5	Very low	99 Å²	99	135.2 Å²	135.2	82%	0.818	75%	0.752	S	S	*	*			cis	-158.9	156.3	39.9	0	0	0	0	0	115.9
98	D	22.6	Very low	24.7	Very low	135 Å²	135	135.9 Å²	135.9	72%	0.722	75%	0.751	S	S	*	*			trans	-72.9	155.7	167.4	-119.4	-76.2	0	0	0	111.4	S100	D98-S100 PolarHBondContact OD1-N 2.92Å
99	P	28	Very low	24.9	Very low	127 Å²	127	136.5 Å²	136.5	83%	0.825	75%	0.749	S	S	*	*				-146.3	136.7	72.9	37.5	-18.6	0	0	0	118
100	S	22.6	Very low	24.9	Very low	91 Å²	91	138.4 Å²	138.4	64%	0.636	75%	0.749	S	S	*	*			trans	-74.3	175.3	154.5	71.7	0	0	0	0	111.7	D98	D98-S100 PolarHBondContact OD1-N 2.92Å
101	P	32.7	Very low	25	Very low	106 Å²	106	135.1 Å²	135.1	69%	0.688	75%	0.749	S	S	*	*			cis	-157.7	-179.7	48.3	46.3	-24.1	0	0	0	120.7
102	R	24	Very low	25	Very low	241 Å²	241	133 Å²	133	91%	0.909	75%	0.75	S	S	*	*			trans	81.5	104.9	149.9	-82.1	168.5	-171.5	-162.9	0.9	121.4
103	S	22	Very low	24.9	Very low	103 Å²	103	133.4 Å²	133.4	72%	0.72	75%	0.752	S	S	*	*			trans	-76.6	-178.3	154.7	56.5	0	0	0	0	113
104	P	29	Very low	24.8	Very low	116 Å²	116	136.1 Å²	136.1	75%	0.753	76%	0.76	S	S	*	*				-130.9	129.1	123.7	35.8	-28.1	0	0	0	115.3
105	N	25.7	Very low	24.7	Very low	142 Å²	142	136.9 Å²	136.9	76%	0.759	76%	0.759	S	S	*	*			trans	47.9	109	141.3	-59	-16	0	0	0	122.4
106	K	21.8	Very low	24.6	Very low	194 Å²	194	137.7 Å²	137.7	84%	0.843	76%	0.764	S	S	*	*				10.2	142.7	119.8	-56.7	-180	176.9	-175.7	0	118.6
107	V	25.3	Very low	24.7	Very low	127 Å²	127	135.7 Å²	135.7	77%	0.77	76%	0.764	S	S	*	*				-171.4	125.2	103.5	145.4	0	0	0	0	112.4
108	D	26.5	Very low	24.7	Very low	128 Å²	128	138 Å²	138	68%	0.684	76%	0.762	S	S	*	*			trans	51	128.1	144.3	-54.4	-7.9	0	0	0	126.9
109	L	25.4	Very low	24.7	Very low	131 Å²	131	136.9 Å²	136.9	69%	0.686	76%	0.764	S	S	*	*			trans	49.2	115.7	131.7	-76.3	84.6	0	0	0	123.8
110	Q	23.2	Very low	25.9	Very low	168 Å²	168	136.6 Å²	136.6	79%	0.785	76%	0.762	S	S	*	*				73.8	148.1	122.7	-65.6	-174.2	-3.5	0	0	123.4
111	S	23.6	Very low	26.6	Very low	111 Å²	111	138 Å²	138	78%	0.776	77%	0.769	S	S	*	*			trans	74.1	109.1	152.2	45	0	0	0	0	122
112	A	23.5	Very low	26.1	Very low	89 Å²	89	139.4 Å²	139.4	74%	0.736	78%	0.776	S	S	*	*			trans	76	118.5	131.4	0	0	0	0	0	121.9
113	N	21.6	Very low	26.4	Very low	157 Å²	157	132.8 Å²	132.8	84%	0.84	77%	0.773	S	S	*	*			trans	22	127.7	135.8	-56.1	-19.2	0	0	0	120.2
114	V	22.2	Very low	26.4	Very low	135 Å²	135	134.2 Å²	134.2	82%	0.818	78%	0.777	S	S	*	*				-167.2	138	119.5	134.2	0	0	0	0	113
115	L	23.2	Very low	26.2	Very low	136 Å²	136	134.1 Å²	134.1	71%	0.712	77%	0.774	S	S	*	*			trans	19.3	141.9	156.1	-51.5	173.5	0	0	0	124.3
116	D	23.6	Very low	26.3	Very low	136 Å²	136	134 Å²	134	73%	0.727	77%	0.773	S	S	*	*			trans	33.2	136.7	131.4	-49.2	-30.9	0	0	0	122.6
117	Q	26.9	Very low	26.6	Very low	177 Å²	177	131.5 Å²	131.5	83%	0.827	76%	0.764	S	S	*	*				-173.5	135.9	110.1	-100.5	175.5	2.8	0	0	116.2
118	D	25.4	Very low	26.6	Very low	147 Å²	147	131.6 Å²	131.6	79%	0.786	76%	0.755	S	S	*	*			trans	57.8	177.7	140.8	-69.6	-51.4	0	0	0	124.7
119	C	23.7	Very low	26.5	Very low	113 Å²	113	132.9 Å²	132.9	76%	0.764	76%	0.756	S	S	*	*			trans	-128.8	-146.4	-164.7	-54.7	0	0	0	0	110.1
120	P	51.4	Low	26.5	Very low	120 Å²	120	134.6 Å²	134.6	78%	0.779	76%	0.761	S	S	*	*				-105.7	-139.1	-62.7	30.3	-8.6	0	0	0	108.1
121	P	37.2	Very low	26.6	Very low	120 Å²	120	134.9 Å²	134.9	78%	0.779	76%	0.762	S	S	*	*			cis	-133.7	-145.6	-10.4	43.5	-22.2	0	0	0	115
122	T	22.6	Very low	26.7	Very low	137 Å²	137	138 Å²	138	84%	0.84	77%	0.767	S	S	*	*			trans	-117.8	151.1	-157.9	50.3	0	0	0	0	115.9
123	A	29.9	Very low	27	Very low	102 Å²	102	142.6 Å²	142.6	84%	0.843	77%	0.773	S	S	*	*			trans	-136.2	167.5	169	0	0	0	0	0	112
124	V	22.8	Very low	27.2	Very low	132 Å²	132	144.5 Å²	144.5	80%	0.8	78%	0.777	S	S	*	*			trans	-156	171.4	-168.3	-142.5	0	0	0	0	113.3
125	V	24.3	Very low	27.5	Very low	114 Å²	114	145.7 Å²	145.7	69%	0.691	78%	0.778	S	S	*	*			trans	78	133	158.7	-79	0	0	0	0	124
126	D	28.5	Very low	27.6	Very low	140 Å²	140	148.4 Å²	148.4	75%	0.749	79%	0.788	S	S	*	*			trans	60.4	156.3	139.8	-54.4	-13.8	0	0	0	122.1
127	E	27.4	Very low	27.8	Very low	141 Å²	141	145.9 Å²	145.9	66%	0.659	79%	0.785	S	S	*	*			cis	-162.6	156.5	-27.3	-107.3	-142.1	132.6	0	0	110.3
128	K	26.1	Very low	27.7	Very low	130 Å²	130	145.1 Å²	145.1	57%	0.565	79%	0.787	S	S	*	*			trans	68.8	119.5	144.6	-77.9	-170.6	170	73.7	0	127.2
129	E	24.2	Very low	27.8	Very low	154 Å²	154	145.8 Å²	145.8	72%	0.72	79%	0.791	S	S	*	*				77.7	138.5	113.8	-71.2	163	-173.8	0	0	126.4
130	E	25.9	Very low	27.9	Very low	167 Å²	167	144.5 Å²	144.5	78%	0.78	79%	0.788	S	S	*	*			trans	72.5	106.7	150.1	-69.1	-178.9	176.9	0	0	126.1
131	E	24.9	Very low	26.6	Very low	174 Å²	174	142.1 Å²	142.1	81%	0.813	79%	0.785	S	S	*	*				74.2	153.3	127.8	-64.3	-155.4	162	0	0	126.5
132	M	26.4	Very low	26	Very low	178 Å²	178	145.5 Å²	145.5	88%	0.877	79%	0.791	S	S	*	*			trans	93.1	152.7	165.7	-147.3	149	-71.8	0	0	119.5
133	E	28.7	Very low	26	Very low	185 Å²	185	143.4 Å²	143.4	86%	0.864	78%	0.782	S	S	*	*			trans	-118.3	146.4	-164	-54.9	172.2	126.7	0	0	111.4
134	E	26.3	Very low	25.6	Very low	197 Å²	197	146.5 Å²	146.5	92%	0.921	78%	0.778	S	S	*	*			trans	-177.3	166.1	134.1	-103.7	175.7	-172.9	0	0	110.8
135	D	29	Very low	25.7	Very low	159 Å²	159	147.6 Å²	147.6	85%	0.85	78%	0.78	S	S	*	*			trans	-97.2	144.5	-169.6	-62.3	-75.2	0	0	0	114.2
136	E	23.7	Very low	25.5	Very low	194 Å²	194	147.7 Å²	147.7	91%	0.907	78%	0.775	S	S	*	*				175.9	167.8	125.6	-102.2	-164.8	179	0	0	114.1
137	A	27.5	Very low	25.1	Very low	82 Å²	82	149.6 Å²	149.6	68%	0.678	78%	0.78	S	S	*	*			trans	67.1	116.1	159.6	0	0	0	0	0	122
138	D	25.9	Very low	25	Very low	162 Å²	162	146.5 Å²	146.5	87%	0.866	78%	0.778	S	S	*	*				27.9	114.4	129.6	-51.8	-28	0	0	0	121.4
139	D	28.1	Very low	24.8	Very low	161 Å²	161	145.9 Å²	145.9	86%	0.861	79%	0.785	S	S	*	*				-172.8	157.7	109.8	-166.5	27.6	0	0	0	113.9
140	A	25.9	Very low	24.6	Very low	85 Å²	85	145 Å²	145	70%	0.702	79%	0.786	S	S	*	*			trans	21.7	103.6	158.6	0	0	0	0	0	120.7
141	G	22.9	Very low	24.5	Very low	70 Å²	70	143.9 Å²	143.9	72%	0.722	79%	0.785	S	S	*	*			trans	-150.9	29.5	175.4	0	0	0	0	0	117.6
142	Q	23.9	Very low	24.4	Very low	192 Å²	192	142 Å²	142	90%	0.897	79%	0.785	S	S	*	*			trans	-80.5	128.4	173.9	-65.6	176.4	-1.8	0	0	110.3
143	S	22.8	Very low	24.2	Very low	93 Å²	93	142.6 Å²	142.6	65%	0.65	79%	0.786	S	S	*	*			cis	84.9	99.3	14.6	101.6	0	0	0	0	117.3
144	Q	23	Very low	23.8	Very low	166 Å²	166	143.6 Å²	143.6	78%	0.776	79%	0.79	S	S	*	*			trans	70	119.4	154.9	-53.4	-174.8	24.8	0	0	119.7
145	N	24.4	Very low	23.7	Very low	156 Å²	156	144.5 Å²	144.5	83%	0.834	79%	0.787	S	S	*	*			trans	-163.8	135.2	140.9	-88.4	-22.6	0	0	0	105.1
146	I	19.9	Very low	24	Very low	115 Å²	115	143.1 Å²	143.1	59%	0.59	78%	0.78	S	S	*	*			cis	75.9	133.2	16.1	-53.8	-177	0	0	0	114
147	E	21	Very low	24.2	Very low	181 Å²	181	138.5 Å²	138.5	85%	0.846	77%	0.766	S	S	*	*			trans	61.8	150.5	-175.8	-74	133.7	-134.7	0	0	114.7
148	A	23.9	Very low	24	Very low	76 Å²	76	140.1 Å²	140.1	63%	0.628	77%	0.768	S	S	*	*			cis	-148.1	154	23	0	0	0	0	0	112.8
149	T	22	Very low	23.8	Very low	116 Å²	116	139.3 Å²	139.3	71%	0.712	76%	0.764	S	S	*	*				40.5	151.2	123.6	69.3	0	0	0	0	121.4
150	D	21	Very low	24	Very low	136 Å²	136	139.9 Å²	139.9	73%	0.727	77%	0.767	S	S	*	*			cis	-167.6	-161.6	-16.7	-105.4	-38.3	0	0	0	108.8
151	D	23.6	Very low	23.8	Very low	143 Å²	143	143.9 Å²	143.9	77%	0.765	77%	0.771	S	S	*	*			trans	89	92.8	150.7	-62	-41.6	0	0	0	121.5
152	V	21.9	Very low	24.3	Very low	135 Å²	135	145.2 Å²	145.2	82%	0.818	77%	0.767	S	S	*	*				76.7	147.3	115.6	170.7	0	0	0	0	120.6
153	E	22	Very low	24.2	Very low	191 Å²	191	142.9 Å²	142.9	89%	0.893	76%	0.76	S	S	*	*			trans	-94.1	147.1	-177.3	-50.8	173.1	129.4	0	0	111.7
154	E	22.1	Very low	24.4	Very low	205 Å²	205	144 Å²	144	96%	0.958	76%	0.763	S	S	*	*			trans	-144.3	169.7	154.7	-161.8	157.3	-146.4	0	0	110.9
155	Y	22.6	Very low	24.4	Very low	217 Å²	217	140.2 Å²	140.2	85%	0.851	76%	0.761	S	S	*	*			trans	-116	164.3	-153.3	176.4	-98	0	0	0	113.7
156	D	36.7	Very low	24.6	Very low	130 Å²	130	138.4 Å²	138.4	70%	0.695	76%	0.76	S	S	*	*			trans	-96.7	131.2	-169.3	172	31.1	0	0	0	113.5
157	P	26.7	Very low	24.8	Very low	96 Å²	96	137.1 Å²	137.1	62%	0.623	77%	0.766	S	S	*	*			trans	-135.9	121.9	158.8	36.1	-19.4	0	0	0	116.1
158	T	23.3	Very low	24.8	Very low	116 Å²	116	135.4 Å²	135.4	71%	0.712	77%	0.768	S	S	*	*			trans	75	137.9	134.3	54.5	0	0	0	0	122.8
159	D	22.1	Very low	24.9	Very low	145 Å²	145	136 Å²	136	78%	0.775	77%	0.773	S	S	*	*			trans	59.6	108.6	146.3	-54.8	-14.7	0	0	0	121.2
160	D	32.4	Very low	25	Very low	173 Å²	173	135 Å²	135	93%	0.925	78%	0.777	S	S	*	*				-166	154.9	106.6	-118.7	-31.3	0	0	0	113.3
161	E	22.4	Very low	25	Very low	169 Å²	169	132.7 Å²	132.7	79%	0.79	78%	0.777	S	S	*	*			trans	-95.4	-179.4	172.5	-120.8	-142.9	122	0	0	110.4
162	P	32.7	Very low	24.9	Very low	98 Å²	98	131.9 Å²	131.9	64%	0.636	78%	0.777	S	S	*	*			cis	-138.8	-173	-0.4	32.9	-9.4	0	0	0	116.4
163	N	22.7	Very low	24.8	Very low	143 Å²	143	131.8 Å²	131.8	77%	0.765	77%	0.772	S	S	*	*			trans	99.9	153.2	133	-144.5	-5.7	0	0	0	122.2
164	V	25.4	Very low	24.8	Very low	117 Å²	117	129.8 Å²	129.8	71%	0.709	77%	0.767	S	S	*	*			trans	85.3	72.6	162.1	-157.6	0	0	0	0	120.6
165	A	22.8	Very low	24.7	Very low	87 Å²	87	125.8 Å²	125.8	72%	0.719	76%	0.756	S	S	*	*				80	157.8	120.4	0	0	0	0	0	124
166	S	29.7	Very low	24.6	Very low	117 Å²	117	121.3 Å²	121.3	82%	0.818	75%	0.752	S	S	*	*			trans	59.1	82.6	179.9	59.3	0	0	0	0	116.1
167	A	23.3	Very low	23.8	Very low	88 Å²	88	120.5 Å²	120.5	73%	0.727	76%	0.756	S	S	*	*			cis	90.1	114.2	21.8	0	0	0	0	0	117.2
168	T	22.4	Very low	23.5	Very low	145 Å²	145	120.5 Å²	120.5	89%	0.89	76%	0.764	S	S	*	*			trans	64.3	151.3	165.8	75.8	0	0	0	0	118.7
169	A	24.7	Very low	23.5	Very low	88 Å²	88	120.6 Å²	120.6	73%	0.727	77%	0.77	S	S	*	*			cis	-147.5	164.1	10.2	0	0	0	0	0	114.2
170	A	24.4	Very low	23.4	Very low	95 Å²	95	119.5 Å²	119.5	79%	0.785	76%	0.764	S	S	*	*			trans	52.5	125	154.5	0	0	0	0	0	119.4
171	A	21.2	Very low	22.9	Very low	89 Å²	89	117.6 Å²	117.6	74%	0.736	76%	0.758	S	S	*	*			cis	70.3	109.8	16.1	0	0	0	0	0	117.2
172	V	20.8	Very low	22.9	Very low	126 Å²	126	112.1 Å²	112.1	76%	0.764	74%	0.742	S	S	*	*			trans	53.1	144.5	155.7	-102.5	0	0	0	0	122.1
173	D	21.3	Very low	22.4	Very low	132 Å²	132	110.3 Å²	110.3	71%	0.706	73%	0.731	S	S	*	*			trans	59.2	132.5	157.3	-54.1	-29	0	0	0	118.5
174	N	21.9	Very low	22.5	Very low	149 Å²	149	108.4 Å²	108.4	80%	0.797	73%	0.729	S	S	*	*				-152.3	174.1	54.2	-129.3	-60	0	0	0	116.4
175	V	18.5	Very low	22.5	Very low	121 Å²	121	109.2 Å²	109.2	73%	0.733	73%	0.727	S	S	*	*			trans	-94	-179.7	179.6	-176	0	0	0	0	110.1
176	V	20.3	Very low	22.9	Very low	124 Å²	124	110.4 Å²	110.4	75%	0.752	72%	0.719	S	S	*	*			trans	106	146.3	154.3	-174.3	0	0	0	0	117.3
177	S	21	Very low	23.8	Very low	112 Å²	112	106.4 Å²	106.4	78%	0.783	69%	0.69	S	S	*	*			trans	74.2	89.7	169.5	-73	0	0	0	0	119.2
178	A	19.7	Very low	24	Very low	97 Å²	97	106.5 Å²	106.5	80%	0.802	69%	0.686	S	S	*	*			trans	-65.9	160.3	154.2	0	0	0	0	0	112.5
179	S	23.5	Very low	24.4	Very low	118 Å²	118	104 Å²	104	83%	0.825	67%	0.674	S	S	*	*			trans	-150.5	146.9	157.8	-81	0	0	0	0	110.9
180	N	20.5	Very low	24.6	Very low	121 Å²	121	109.9 Å²	109.9	65%	0.647	68%	0.684	S	S	*	*			trans	-75.4	154	-172.8	-69.6	-97.4	0	0	0	112.8	K569	N180-K569 PolarHBondContact OD1-NZ 3.46Å
181	V	21.7	Very low	24.9	Very low	133 Å²	133	109.8 Å²	109.8	81%	0.806	68%	0.682	S	S	*	*				166.7	141.1	110.4	158.3	0	0	0	0	112.5
182	A	21.9	Very low	25.3	Very low	55 Å²	55	113.2 Å²	113.2	46%	0.455	69%	0.688	S	S	.	*			trans	34.6	124.3	159.2	0	0	0	0	0	124.9
183	S	23	Very low	25.5	Very low	59 Å²	59	112.6 Å²	112.6	41%	0.413	69%	0.688	S	S	.	*				62.6	99.8	121.1	-53.9	0	0	0	0	124.3
184	S	23.9	Very low	26.2	Very low	103 Å²	103	115.7 Å²	115.7	72%	0.72	70%	0.695	S	S	*	*				80.9	135.5	108.5	75.4	0	0	0	0	125.8
185	M	26.7	Very low	27.2	Very low	135 Å²	135	111.1 Å²	111.1	67%	0.665	67%	0.674	S	S	*	*			trans	71.7	144.2	150.5	-56.2	-130.1	178.3	0	0	122.4
186	M	31.6	Very low	29.5	Very low	111 Å²	111	107.6 Å²	107.6	55%	0.547	65%	0.654	S	S	.	*			cis	-159.1	157.4	-18.3	-98.8	-63.2	-177.4	0	0	109.1	T553 E557 R558	M186-T553 HydrophobicContact SD-CG2 4.11Å; M186-E557 CarbonylContact O-C 3.37Å; M186-E557 WeakPolarHBondContact O-CA 3.41Å; M186-R558 PolarHBondContact O-N 2.85Å
187	P	46.8	Very low	32.2	Very low	33 Å²	33	104.9 Å²	104.9	21%	0.214	64%	0.637	C	S	.	*			trans	-136	160	-148	41.9	-26.7	0	0	0	120.7	T553 V554 F555	P187-T553 HydrophobicContact CG-CG2 3.72Å; P187-V554 HydrophobicContact CB-CG1 4.07Å; P187-V554 HydrophobicContact CG-CB 4.22Å; P187-V554 HydrophobicContact CG-CG1 4.12Å; P187-V554 HydrophobicContact CG-CG2 4.27Å; P187-F555 VanDerWaalsContact CB-C 3.44Å
188	S	27.4	Very low	35.2	Very low	91 Å²	91	99.6 Å²	99.6	64%	0.636	60%	0.6	S	S	*	*			trans	-160.8	140.9	165.5	70.1	0	0	0	0	117.2	F555 T556	S188-F555 CarbonylContact C-O 2.87Å; S188-F555 WeakPolarHBondContact CA-O 3.22Å; S188-F555 PolarHBondContact N-O 3.36Å; S188-T556 PolarHBondContact N-O 3.11Å
189	S	32.1	Very low	37.9	Very low	91 Å²	91	97.9 Å²	97.9	64%	0.636	59%	0.592	S	S	*	*			trans	-125.7	167.3	-170.8	63.9	0	0	0	0	115.8
190	F	27.9	Very low	40.1	Very low	213 Å²	213	97.9 Å²	97.9	93%	0.934	58%	0.579	S	S	*	*			trans	-140.6	147.4	-169.9	-115.9	-85.3	0	0	0	115
191	A	31	Very low	42.9	Very low	92 Å²	92	94.8 Å²	94.8	76%	0.76	57%	0.566	S	S	*	*			trans	-92.7	117.8	-172.9	0	0	0	0	0	116.3
192	L	30.2	Very low	45.7	Very low	162 Å²	162	90.9 Å²	90.9	85%	0.848	55%	0.553	S	S	*	*				29.5	126.7	127.2	-162.1	65.4	0	0	0	121.1
193	C	25.2	Very low	48.5	Very low	113 Å²	113	91.3 Å²	91.3	76%	0.764	55%	0.55	S	S	*	.			trans	-104.7	146.6	168.7	-163.1	0	0	0	0	111.5	S195	C193-S195 PolarHBondContact O-N 3.29Å
194	K	35.2	Very low	51.1	Low	196 Å²	196	94.9 Å²	94.9	85%	0.852	56%	0.562	S	S	*	*			trans	-95.5	95.2	-174.4	-68.7	-178.3	179.8	178.5	0	112.5
195	S	42.6	Very low	54	Low	53 Å²	53	91 Å²	91	37%	0.371	53%	0.533	S	S	.	.			trans	-131.1	129.9	168.4	51.9	0	0	0	0	109.5	C193	C193-S195 PolarHBondContact O-N 3.29Å
196	T	67.2	Low	56.5	Low	48 Å²	48	93 Å²	93	29%	0.294	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	117.6	-177.7	50.3	0	0	0	0	110.5	I205	T196-I205 PolarHBondContact N-O 3.44Å; T196-I205 CarbonylContact O-C 3.58Å; T196-I205 WeakPolarHBondContact O-CA 3.48Å; T196-I205 WeakPolarHBondContact O-CB 3.48Å; T196-I205 PolarHBondContact O-N 2.97Å; T196-I205 PolarHBondContact OG1-O 3.12Å
197	V	76.6	Confident	59	Low	67 Å²	67	92.5 Å²	92.5	41%	0.406	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	142.6	178.4	-176.5	0	0	0	0	109.9	G202 T203 M204	V197-G202 WeakPolarHBondContact CG1-O 3.41Å; V197-T203 WeakPolarHBondContact CA-O 3.48Å; V197-M204 HydrophobicContact CG2-CB 4.45Å; V197-M204 HydrophobicContact CG2-CG 4.41Å
198	C	83.8	Confident	60.6	Low	0 Å²	0	92.9 Å²	92.9	0%	0	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-79.8	127.6	167.3	175.4	0	0	0	0	110.3	G202 T203 L211 H214 M215	C198-G202 WeakPolarHBondContact O-CA 3.36Å; C198-G202 PolarHBondContact O-N 3.22Å; C198-T203 PolarHBondContact N-O 3.34Å; C198-L211 HydrophobicContact CB-CD1 3.83Å; C198-H214 VanDerWaalsContact CB-NE2 3.3Å; C198-H214 WeakPolarHBondContact CB-NE2 3.08Å; C198-H214 PolarHBondContact SG-NE2 3.2Å; C198-M215 HydrophobicContact CB-CE 4.31Å
199	G	77	Confident	63.3	Low	62 Å²	62	90.8 Å²	90.8	64%	0.639	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-39	179.8	0	0	0	0	0	114.1	C273	G199-C273 PolarHBondContact N-SG 3.46Å
200	E	69.3	Low	65.9	Low	118 Å²	118	91.1 Å²	91.1	55%	0.551	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-29.7	-171	-73.6	178.1	-149.1	0	0	114.7	H218 M269	E200-H218 WeakPolarHBondContact CB-CE1 3.28Å; E200-H218 WeakPolarHBondContact CB-ND1 3.37Å; E200-H218 IonicContact OE2-CE1 2.73Å; E200-H218 IonicContact OE2-CG 3.63Å; E200-H218 IonicContact OE2-ND1 3.88Å; E200-H218 PolarHBondContact OE2-ND1 2.74Å; E200-M269 WeakPolarHBondContact OE1-CE 3.15Å
201	C	80.8	Confident	68.7	Low	56 Å²	56	81.1 Å²	81.1	38%	0.378	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	2.7	177.9	77.7	0	0	0	0	114.3	T203 H214	C201-T203 PolarHBondContact O-N 2.71Å; C201-T203 WeakPolarHBondContact SG-CG2 3.44Å; C201-T203 PolarHBondContact SG-N 3.06Å; C201-T203 VanDerWaalsContact SG-N 3.43Å; C201-T203 PolarHBondContact SG-OG1 2.73Å; C201-H214 PolarHBondContact SG-CE1 3.24Å; C201-H214 PolarHBondContact SG-NE2 3.2Å
202	G	79.5	Confident	71.5	Confident	51 Å²	51	80 Å²	80	53%	0.526	46%	0.462	S	S	.	.			trans	63.9	6.6	-177.6	0	0	0	0	0	115.9	V197 C198 M204	V197-G202 WeakPolarHBondContact CG1-O 3.41Å; C198-G202 WeakPolarHBondContact O-CA 3.36Å; C198-G202 PolarHBondContact O-N 3.22Å; G202-M204 PolarHBondContact O-N 2.85Å
203	T	81	Confident	74.4	Confident	64 Å²	64	73.8 Å²	73.8	39%	0.393	43%	0.43	S	S	.	.			trans	-72.3	131.6	-174.9	63.1	0	0	0	0	111.3	V197 C198 C201 I205 H214	V197-T203 WeakPolarHBondContact CA-O 3.48Å; C198-T203 PolarHBondContact N-O 3.34Å; C201-T203 PolarHBondContact O-N 2.71Å; C201-T203 WeakPolarHBondContact SG-CG2 3.44Å; C201-T203 PolarHBondContact SG-N 3.06Å; C201-T203 VanDerWaalsContact SG-N 3.43Å; C201-T203 PolarHBondContact SG-OG1 2.73Å; T203-I205 PolarHBondContact O-N 2.9Å; T203-H214 PolarHBondContact OG1-CE1 3.07Å; T203-H214 PolarHBondContact OG1-NE2 3.11Å
204	M	77.8	Confident	77.5	Confident	134 Å²	134	70.1 Å²	70.1	66%	0.66	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	111.2	178	-175.3	-176.3	-69.8	0	0	110.4	V197 G202	V197-M204 HydrophobicContact CG2-CB 4.45Å; V197-M204 HydrophobicContact CG2-CG 4.41Å; G202-M204 PolarHBondContact O-N 2.85Å
205	I	84.5	Confident	80.1	Confident	21 Å²	21	60.8 Å²	60.8	11%	0.108	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.2	-174.8	-59.2	-177.3	0	0	0	110.6	T196 T203 N207 N210 L211 H214	T196-I205 PolarHBondContact N-O 3.44Å; T196-I205 CarbonylContact O-C 3.58Å; T196-I205 WeakPolarHBondContact O-CA 3.48Å; T196-I205 WeakPolarHBondContact O-CB 3.48Å; T196-I205 PolarHBondContact O-N 2.97Å; T196-I205 PolarHBondContact OG1-O 3.12Å; T203-I205 PolarHBondContact O-N 2.9Å; I205-N207 VanDerWaalsContact C-N 3.34Å; I205-N207 PolarHBondContact O-N 3.2Å; I205-N210 HydrophobicContact CG2-CB 3.42Å; I205-N210 VanDerWaalsContact CG2-CB 3.42Å; I205-L211 HydrophobicContact CD1-CD1 3.94Å; I205-L211 HydrophobicContact CG2-CB 4.33Å; I205-H214 HydrophobicContact CD1-CB 3.47Å; I205-H214 VanDerWaalsContact CD1-CB 3.47Å; I205-H214 WeakPolarHBondContact CD1-CD2 3.33Å
206	K	79.1	Confident	82.5	Confident	176 Å²	176	58.8 Å²	58.8	77%	0.765	35%	0.345	S	S	*	.	S	Bend	trans	-65.3	-34.5	-168	-59.2	177.4	-177	177.8	0	113.2
207	N	83.5	Confident	83.7	Confident	101 Å²	101	61.5 Å²	61.5	54%	0.54	35%	0.35	S	S	.	.	S	Bend	trans	-141.4	144.2	-172.6	-63.4	46.5	0	0	0	110.5	I205 A209 N210 L211	I205-N207 VanDerWaalsContact C-N 3.34Å; I205-N207 PolarHBondContact O-N 3.2Å; N207-A209 VanDerWaalsContact C-N 3.27Å; N207-A209 PolarHBondContact O-N 3.04Å; N207-N210 WeakPolarHBondContact O-CB 3.27Å; N207-N210 PolarHBondContact O-N 2.93Å; N207-L211 PolarHBondContact O-N 3Å; N207-L211 VanDerWaalsContact O-N 3.1Å
208	A	81.3	Confident	84.2	Confident	42 Å²	42	61 Å²	61	35%	0.347	34%	0.343	S	S	.	.	H	α-helix	trans	-58.3	-30.8	179.1	0	0	0	0	0	114.7	N210 L211 E212	A208-N210 VanDerWaalsContact C-N 3.31Å; A208-N210 PolarHBondContact O-N 3.39Å; A208-L211 WeakPolarHBondContact O-CB 3.37Å; A208-L211 PolarHBondContact O-N 3.11Å; A208-E212 PolarHBondContact O-N 3.22Å
209	A	83.5	Confident	84.3	Confident	47 Å²	47	63.5 Å²	63.5	39%	0.388	36%	0.356	S	S	.	.	H	α-helix	trans	-68.6	-29.9	175.1	0	0	0	0	0	112.9	N207 V213	N207-A209 VanDerWaalsContact C-N 3.27Å; N207-A209 PolarHBondContact O-N 3.04Å; A209-V213 PolarHBondContact O-N 2.76Å
210	N	86.7	Confident	84.8	Confident	98 Å²	98	67.7 Å²	67.7	52%	0.524	36%	0.36	S	S	.	.	H	α-helix	trans	-77	-30.7	171.9	-68	49.3	0	0	0	110.6	I205 N207 A208 E212 H214	I205-N210 HydrophobicContact CG2-CB 3.42Å; I205-N210 VanDerWaalsContact CG2-CB 3.42Å; N207-N210 WeakPolarHBondContact O-CB 3.27Å; N207-N210 PolarHBondContact O-N 2.93Å; A208-N210 VanDerWaalsContact C-N 3.31Å; A208-N210 PolarHBondContact O-N 3.39Å; N210-E212 VanDerWaalsContact C-N 3.31Å; N210-H214 WeakPolarHBondContact O-CB 3.25Å; N210-H214 PolarHBondContact O-N 3.29Å
211	L	86.9	Confident	85.9	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-64.3	-39	172.6	-176	68.4	0	0	0	110.2	C198 I205 N207 A208 H214 M215 I270	C198-L211 HydrophobicContact CB-CD1 3.83Å; I205-L211 HydrophobicContact CD1-CD1 3.94Å; I205-L211 HydrophobicContact CG2-CB 4.33Å; N207-L211 PolarHBondContact O-N 3Å; N207-L211 VanDerWaalsContact O-N 3.1Å; A208-L211 WeakPolarHBondContact O-CB 3.37Å; A208-L211 PolarHBondContact O-N 3.11Å; L211-H214 CarbonylContact O-C 3.6Å; L211-H214 WeakPolarHBondContact O-CB 3.35Å; L211-H214 PolarHBondContact O-N 2.77Å; L211-M215 HydrophobicContact CD1-CE 3.99Å; L211-M215 HydrophobicContact CG-CE 4.35Å; L211-M215 WeakPolarHBondContact O-CG 3.2Å; L211-M215 PolarHBondContact O-N 3.28Å; L211-I270 HydrophobicContact CD2-CG1 4.33Å; L211-I270 HydrophobicContact CD2-CG2 4.37Å; L211-I270 HydrophobicContact CG-CG1 4.36Å
212	E	89.4	Confident	86.5	Confident	69 Å²	69	64.1 Å²	64.1	32%	0.322	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-51.6	175.8	-166.8	-165.9	147.8	0	0	112.9	A208 N210 H214 M215 R216 V266 I270	A208-E212 PolarHBondContact O-N 3.22Å; N210-E212 VanDerWaalsContact C-N 3.31Å; E212-H214 PolarHBondContact O-N 3.37Å; E212-H214 VanDerWaalsContact O-N 3.14Å; E212-M215 PolarHBondContact O-N 3.16Å; E212-R216 WeakPolarHBondContact O-CG 3.23Å; E212-R216 PolarHBondContact O-N 3.41Å; E212-R216 IonicContact OE1-CZ 2.67Å; E212-R216 IonicContact OE1-NE 3.36Å; E212-R216 IonicContact OE1-NH2 3.84Å; E212-R216 PolarHBondContact OE1-NH2 3.29Å; E212-V266 HydrophobicContact CG-CG1 3.85Å; E212-I270 HydrophobicContact CB-CD1 3.81Å; E212-I270 HydrophobicContact CG-CD1 3.88Å
213	V	91.2	Very high	86.9	Confident	31 Å²	31	61.7 Å²	61.7	19%	0.188	31%	0.308	C	S	.	.	H	α-helix	trans	-62.8	-18.8	174.4	171.3	0	0	0	0	112.5	A209 R217 D235	A209-V213 PolarHBondContact O-N 2.76Å; V213-R217 PolarHBondContact O-NH1 3.47Å; V213-D235 HydrophobicContact CG1-CB 3.9Å; V213-D235 WeakPolarHBondContact CG1-OD2 3.49Å; V213-D235 HydrophobicContact CG2-CB 4.13Å
214	H	90.9	Very high	87.5	Confident	35 Å²	35	60.1 Å²	60.1	16%	0.162	30%	0.295	C	S	.	.	H	α-helix	trans	-87.6	-42.2	174.5	170	82.2	0	0	0	113.1	C198 C201 T203 I205 N210 L211 E212 R216 R217 H218	C198-H214 VanDerWaalsContact CB-NE2 3.3Å; C198-H214 WeakPolarHBondContact CB-NE2 3.08Å; C198-H214 PolarHBondContact SG-NE2 3.2Å; C201-H214 PolarHBondContact SG-CE1 3.24Å; C201-H214 PolarHBondContact SG-NE2 3.2Å; T203-H214 PolarHBondContact OG1-CE1 3.07Å; T203-H214 PolarHBondContact OG1-NE2 3.11Å; I205-H214 HydrophobicContact CD1-CB 3.47Å; I205-H214 VanDerWaalsContact CD1-CB 3.47Å; I205-H214 WeakPolarHBondContact CD1-CD2 3.33Å; N210-H214 WeakPolarHBondContact O-CB 3.25Å; N210-H214 PolarHBondContact O-N 3.29Å; L211-H214 CarbonylContact O-C 3.6Å; L211-H214 WeakPolarHBondContact O-CB 3.35Å; L211-H214 PolarHBondContact O-N 2.77Å; E212-H214 PolarHBondContact O-N 3.37Å; E212-H214 VanDerWaalsContact O-N 3.14Å; H214-R216 PolarHBondContact O-N 3.18Å; H214-R217 WeakPolarHBondContact O-CA 3.46Å; H214-R217 WeakPolarHBondContact O-CB 3.38Å; H214-R217 PolarHBondContact O-N 3.48Å; H214-H218 AromaticContact CE1-CD2 3.84Å; H214-H218 AromaticContact CE1-NE2 3.6Å; H214-H218 AromaticContact NE2-CD2 3.55Å; H214-H218 AromaticContact NE2-NE2 3.33Å; H214-H218 PolarHBondContact NE2-NE2 3.04Å; H214-H218 PolarHBondContact O-N 2.82Å
215	M	89	Confident	88	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-31.1	171.9	-67.3	-45.4	-164.7	0	0	111.6	C198 L211 E212 R217 H218 L219 V266 M269 I270 C273	C198-M215 HydrophobicContact CB-CE 4.31Å; L211-M215 HydrophobicContact CD1-CE 3.99Å; L211-M215 HydrophobicContact CG-CE 4.35Å; L211-M215 WeakPolarHBondContact O-CG 3.2Å; L211-M215 PolarHBondContact O-N 3.28Å; E212-M215 PolarHBondContact O-N 3.16Å; M215-R217 PolarHBondContact O-N 2.87Å; M215-H218 WeakPolarHBondContact O-CB 3.17Å; M215-H218 PolarHBondContact O-N 3.47Å; M215-H218 VanDerWaalsContact O-N 3.13Å; M215-L219 PolarHBondContact O-N 2.86Å; M215-V266 HydrophobicContact CB-CG1 4.16Å; M215-V266 HydrophobicContact CB-CG2 4.43Å; M215-M269 HydrophobicContact CB-CE 4.1Å; M215-M269 HydrophobicContact CB-SD 4.47Å; M215-M269 HydrophobicContact CE-CB 4.09Å; M215-M269 HydrophobicContact CG-CB 4.23Å; M215-M269 HydrophobicContact CG-CE 4.3Å; M215-M269 HydrophobicContact SD-CB 4.25Å; M215-M269 HydrophobicContact SD-CE 3.75Å; M215-I270 HydrophobicContact CG-CD1 4.46Å; M215-I270 HydrophobicContact CG-CG1 3.84Å; M215-C273 WeakPolarHBondContact CE-SG 3.26Å
216	R	94.1	Very high	88.3	Confident	11 Å²	11	56.2 Å²	56.2	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-59.3	-29.6	167.6	-71.3	179.9	-158.6	164.9	-1.4	113.6	E212 H214 Q220 Y221 Y224 Y234 V266	E212-R216 WeakPolarHBondContact O-CG 3.23Å; E212-R216 PolarHBondContact O-N 3.41Å; E212-R216 IonicContact OE1-CZ 2.67Å; E212-R216 IonicContact OE1-NE 3.36Å; E212-R216 IonicContact OE1-NH2 3.84Å; E212-R216 PolarHBondContact OE1-NH2 3.29Å; H214-R216 PolarHBondContact O-N 3.18Å; R216-Q220 CarbonylContact O-C 3.53Å; R216-Q220 PolarHBondContact O-N 2.94Å; R216-Y221 HydrophobicContact CG-CD1 4.09Å; R216-Y221 PolarHBondContact O-N 3.41Å; R216-Y224 PolarHBondContact NH1-OH 2.82Å; R216-Y234 HydrophobicContact CB-CD1 4.28Å; R216-Y234 WeakPolarHBondContact CD-O 3.4Å; R216-Y234 PolarHBondContact NH1-O 2.91Å; R216-Y234 WeakPolarHBondContact O-CD1 3.22Å; R216-Y234 WeakPolarHBondContact O-CE1 3.44Å; R216-V266 HydrophobicContact CG-CG2 4Å
217	R	90.9	Very high	88.7	Confident	104 Å²	104	51.8 Å²	51.8	39%	0.392	26%	0.257	S	S	.	.	H	α-helix	trans	-75.5	-33.4	173.7	-70.8	-175.5	172.2	83.9	2.1	112.1	V213 H214 M215 Q220 Y234 D235 D238	V213-R217 PolarHBondContact O-NH1 3.47Å; H214-R217 WeakPolarHBondContact O-CA 3.46Å; H214-R217 WeakPolarHBondContact O-CB 3.38Å; H214-R217 PolarHBondContact O-N 3.48Å; M215-R217 PolarHBondContact O-N 2.87Å; R217-Q220 PolarHBondContact O-N 2.7Å; R217-Y234 HydrophobicContact CB-CD1 4.45Å; R217-Y234 HydrophobicContact CB-CE1 4.34Å; R217-Y234 HydrophobicContact CG-CD1 3.65Å; R217-Y234 HydrophobicContact CG-CD2 4.1Å; R217-Y234 HydrophobicContact CG-CE1 3.84Å; R217-Y234 HydrophobicContact CG-CE2 4.27Å; R217-Y234 HydrophobicContact CG-CG 3.8Å; R217-D235 IonicContact NH2-OD2 2.66Å; R217-D238 IonicContact NH2-OD2 3.11Å; R217-D238 PolarHBondContact NH2-OD2 3.15Å
218	H	87.1	Confident	88.7	Confident	57 Å²	57	49.6 Å²	49.6	26%	0.264	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-52.9	172.4	-83.6	-97.7	0	0	0	111.9	E200 H214 M215 Q220 M269	E200-H218 WeakPolarHBondContact CB-CE1 3.28Å; E200-H218 WeakPolarHBondContact CB-ND1 3.37Å; E200-H218 IonicContact OE2-CE1 2.73Å; E200-H218 IonicContact OE2-CG 3.63Å; E200-H218 IonicContact OE2-ND1 3.88Å; E200-H218 PolarHBondContact OE2-ND1 2.74Å; H214-H218 AromaticContact CE1-CD2 3.84Å; H214-H218 AromaticContact CE1-NE2 3.6Å; H214-H218 AromaticContact NE2-CD2 3.55Å; H214-H218 AromaticContact NE2-NE2 3.33Å; H214-H218 PolarHBondContact NE2-NE2 3.04Å; H214-H218 PolarHBondContact O-N 2.82Å; M215-H218 WeakPolarHBondContact O-CB 3.17Å; M215-H218 PolarHBondContact O-N 3.47Å; M215-H218 VanDerWaalsContact O-N 3.13Å; H218-Q220 PolarHBondContact O-N 3.33Å; H218-Q220 VanDerWaalsContact O-N 3.13Å; H218-M269 HydrophobicContact CB-CE 3.69Å
219	L	87.9	Confident	89.1	Confident	52 Å²	52	50 Å²	50	27%	0.272	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	11.2	175.9	-58.6	-173.5	0	0	0	114.5	M215 Y221 R265 V266 M269	M215-L219 PolarHBondContact O-N 2.86Å; L219-Y221 PolarHBondContact O-N 3.32Å; L219-R265 HydrophobicContact CD1-CB 3.67Å; L219-V266 HydrophobicContact CD1-CG2 3.91Å; L219-M269 HydrophobicContact CD1-SD 3.66Å; L219-M269 HydrophobicContact CD2-CE 4.14Å; L219-M269 HydrophobicContact CD2-SD 3.77Å; L219-M269 HydrophobicContact CG-CE 4.07Å; L219-M269 HydrophobicContact CG-SD 3.62Å
220	Q	86.3	Confident	89.1	Confident	151 Å²	151	56 Å²	56	71%	0.706	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	17.8	-170.2	-57.1	-158.6	27.5	0	0	116.1	R216 R217 H218 R222	R216-Q220 CarbonylContact O-C 3.53Å; R216-Q220 PolarHBondContact O-N 2.94Å; R217-Q220 PolarHBondContact O-N 2.7Å; H218-Q220 PolarHBondContact O-N 3.33Å; H218-Q220 VanDerWaalsContact O-N 3.13Å; Q220-R222 WeakPolarHBondContact O-CG 3.33Å; Q220-R222 PolarHBondContact O-N 3.39Å
221	Y	92.5	Very high	89.5	Confident	12 Å²	12	54.7 Å²	54.7	5%	0.047	25%	0.251	C	S	.	.			trans	-78.2	117.4	-166.9	-178.8	-146.4	0	0	0	112.8	R216 L219 P223 Y234 P258 T259 L262 E263 V266	R216-Y221 HydrophobicContact CG-CD1 4.09Å; R216-Y221 PolarHBondContact O-N 3.41Å; L219-Y221 PolarHBondContact O-N 3.32Å; Y221-P223 HydrophobicContact CE1-CB 4.5Å; Y221-P223 HydrophobicContact CE1-CG 4.32Å; Y221-P223 HydrophobicContact CE2-CB 3.91Å; Y221-P223 HydrophobicContact CE2-CG 4.36Å; Y221-P223 WeakPolarHBondContact O-CD 3.43Å; Y221-Y234 VanDerWaalsContact O-CD1 3.31Å; Y221-Y234 WeakPolarHBondContact O-CD1 3.25Å; Y221-P258 WeakPolarHBondContact OH-CA 3.5Å; Y221-P258 WeakPolarHBondContact OH-CB 3.49Å; Y221-T259 VanDerWaalsContact CE2-OG1 3.31Å; Y221-T259 WeakPolarHBondContact CE2-OG1 3.47Å; Y221-T259 PolarHBondContact OH-N 2.8Å; Y221-T259 PolarHBondContact OH-O 3.29Å; Y221-T259 VanDerWaalsContact OH-O 3.08Å; Y221-L262 HydrophobicContact CD1-CB 3.91Å; Y221-L262 HydrophobicContact CD2-CB 3.98Å; Y221-L262 HydrophobicContact CD2-CD2 3.73Å; Y221-L262 HydrophobicContact CE1-CB 3.98Å; Y221-L262 HydrophobicContact CE2-CB 4.06Å; Y221-L262 HydrophobicContact CE2-CD2 4.39Å; Y221-L262 HydrophobicContact CG-CB 3.93Å; Y221-L262 HydrophobicContact CG-CD2 3.96Å; Y221-L262 HydrophobicContact CG-CG 4.49Å; Y221-E263 HydrophobicContact CE1-CB 4.33Å; Y221-E263 HydrophobicContact CE1-CG 3.82Å; Y221-V266 HydrophobicContact CD1-CG2 4.1Å
222	R	92.9	Very high	89.6	Confident	87 Å²	87	59.4 Å²	59.4	33%	0.328	27%	0.271	S	S	.	.			trans	-124.4	75.1	-170.7	-66.2	162.4	85.3	145.8	-4.8	111.4	Q220 Y224 K232 G233 Y234	Q220-R222 WeakPolarHBondContact O-CG 3.33Å; Q220-R222 PolarHBondContact O-N 3.39Å; R222-Y224 VanDerWaalsContact C-N 3.3Å; R222-Y224 PolarHBondContact O-N 2.77Å; R222-K232 HydrophobicContact CB-CB 3.84Å; R222-K232 VanDerWaalsContact CZ-O 3.26Å; R222-K232 PolarHBondContact NE-O 2.84Å; R222-K232 PolarHBondContact NH2-O 3.42Å; R222-G233 CarbonylContact C-O 3.56Å; R222-G233 VanDerWaalsContact C-O 3.3Å; R222-G233 VanDerWaalsContact CA-O 3.25Å; R222-G233 WeakPolarHBondContact CA-O 3.35Å; R222-Y234 HydrophobicContact CG-CD1 3.57Å; R222-Y234 HydrophobicContact CG-CD2 4.15Å; R222-Y234 HydrophobicContact CG-CE1 3.38Å; R222-Y234 HydrophobicContact CG-CE2 3.97Å; R222-Y234 HydrophobicContact CG-CG 3.95Å; R222-Y234 PolarHBondContact NH1-OH 3.13Å
223	P	88	Confident	89.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.256	C	S	.	.			trans	-79.7	-2.9	-170.3	32.3	-36.9	0	0	0	115	Y221 Y225 F256 K257	Y221-P223 HydrophobicContact CE1-CB 4.5Å; Y221-P223 HydrophobicContact CE1-CG 4.32Å; Y221-P223 HydrophobicContact CE2-CB 3.91Å; Y221-P223 HydrophobicContact CE2-CG 4.36Å; Y221-P223 WeakPolarHBondContact O-CD 3.43Å; P223-Y225 WeakPolarHBondContact O-CD2 3.17Å; P223-Y225 WeakPolarHBondContact O-CE2 3.47Å; P223-F256 HydrophobicContact CB-CD2 4.09Å; P223-F256 HydrophobicContact CB-CE2 3.7Å; P223-F256 HydrophobicContact CG-CD2 4.5Å; P223-F256 HydrophobicContact CG-CE2 3.89Å; P223-F256 WeakPolarHBondContact O-CA 3.35Å; P223-F256 WeakPolarHBondContact O-CD2 3.28Å; P223-K257 PolarHBondContact O-N 3.33Å
224	Y	94.4	Very high	89.9	Confident	31 Å²	31	56.2 Å²	56.2	12%	0.122	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133.1	174.9	-53.9	-85.1	0	0	0	110.2	R216 R222 K232 G233 Y234 D235 V236 L254 N255 F256	R216-Y224 PolarHBondContact NH1-OH 2.82Å; R222-Y224 VanDerWaalsContact C-N 3.3Å; R222-Y224 PolarHBondContact O-N 2.77Å; Y224-K232 CarbonylContact O-C 3.31Å; Y224-K232 VanDerWaalsContact O-CA 3.27Å; Y224-K232 WeakPolarHBondContact O-CA 3.48Å; Y224-G233 PolarHBondContact N-O 2.77Å; Y224-G233 PolarHBondContact O-N 2.86Å; Y224-Y234 WeakPolarHBondContact CE2-O 3.38Å; Y224-D235 VanDerWaalsContact CD2-C 3.48Å; Y224-V236 HydrophobicContact CD1-CG2 3.83Å; Y224-V236 HydrophobicContact CE1-CG2 3.48Å; Y224-V236 VanDerWaalsContact CE1-CG2 3.48Å; Y224-L254 HydrophobicContact CD1-CD1 4Å; Y224-N255 WeakPolarHBondContact CA-O 3.45Å; Y224-F256 HydrophobicContact CD1-CB 4.38Å; Y224-F256 AromaticContact CD1-CD2 3.56Å; Y224-F256 HydrophobicContact CD1-CD2 3.56Å; Y224-F256 HydrophobicContact CD1-CE2 4.31Å; Y224-F256 HydrophobicContact CD1-CG 4.37Å; Y224-F256 AromaticContact CE1-CD2 3.26Å; Y224-F256 HydrophobicContact CE1-CD2 3.26Å; Y224-F256 AromaticContact CE1-CE2 3.67Å; Y224-F256 HydrophobicContact CE1-CE2 3.67Å; Y224-F256 HydrophobicContact CE1-CG 4.12Å; Y224-F256 HydrophobicContact CE2-CD2 4.37Å; Y224-F256 HydrophobicContact CE2-CE2 4.22Å; Y224-F256 HydrophobicContact CG-CD2 4.23Å; Y224-F256 AromaticContact CZ-CD2 3.72Å; Y224-F256 AromaticContact CZ-CE2 3.61Å
225	Y	88.6	Confident	90	Very high	65 Å²	65	56 Å²	56	26%	0.255	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.6	-174.1	-61.8	-110.1	0	0	0	108.5	P223 Y231 K232 L254 N255 K257	P223-Y225 WeakPolarHBondContact O-CD2 3.17Å; P223-Y225 WeakPolarHBondContact O-CE2 3.47Å; Y225-Y231 CarbonylContact C-O 3.34Å; Y225-Y231 WeakPolarHBondContact CA-O 3.5Å; Y225-K232 HydrophobicContact CD1-CD 3.99Å; Y225-K232 HydrophobicContact CD1-CG 3.82Å; Y225-K232 HydrophobicContact CE1-CD 3.52Å; Y225-K232 HydrophobicContact CE1-CG 3.88Å; Y225-L254 CarbonylContact O-C 3.33Å; Y225-L254 WeakPolarHBondContact O-CA 3.46Å; Y225-L254 WeakPolarHBondContact O-CB 3.32Å; Y225-N255 PolarHBondContact N-O 2.9Å; Y225-N255 PolarHBondContact O-N 3.07Å; Y225-K257 HydrophobicContact CD2-CB 4.23Å; Y225-K257 HydrophobicContact CE2-CB 3.74Å
226	C	90.3	Very high	90	Very high	8 Å²	8	59.1 Å²	59.1	5%	0.054	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	150	162.6	-172.8	0	0	0	0	109.2	H228 C229 Y231 V239 H242 T243 H247	C226-H228 PolarHBondContact SG-N 2.82Å; C226-C229 CarbonylContact C-O 3.54Å; C226-C229 VanDerWaalsContact CB-O 3.32Å; C226-C229 WeakPolarHBondContact CB-O 3.33Å; C226-C229 VanDerWaalsContact O-O 3.13Å; C226-Y231 PolarHBondContact N-O 3.4Å; C226-V239 HydrophobicContact CB-CG1 4.12Å; C226-H242 PolarHBondContact SG-NE2 3Å; C226-T243 VanDerWaalsContact SG-CG2 3.56Å; C226-H247 PolarHBondContact SG-CD2 3.19Å; C226-H247 PolarHBondContact SG-NE2 2.99Å
227	I	86.6	Confident	89.8	Confident	82 Å²	82	64.3 Å²	64.3	42%	0.421	30%	0.301	S	S	.	.	S	Bend	trans	-90.2	-26.2	171.7	-49.6	-171.2	0	0	0	110.6	N253 N255	I227-N253 HydrophobicContact CD1-CB 3.69Å; I227-N253 HydrophobicContact CG1-CB 4.5Å; I227-N255 HydrophobicContact CG1-CB 4.35Å
228	H	85.1	Confident	89.8	Confident	56 Å²	56	60.1 Å²	60.1	26%	0.259	29%	0.287	S	S	.	.	S	Bend	trans	-92.7	-5.8	-174.1	-51.1	-63.1	0	0	0	114.1	C226 H247 K250 P251	C226-H228 PolarHBondContact SG-N 2.82Å; H228-H247 HydrophobicContact CB-CB 4.17Å; H228-H247 PolarHBondContact O-CE1 2.63Å; H228-H247 VanDerWaalsContact O-CE1 3.26Å; H228-K250 HydrophobicContact CB-CD 4.42Å; H228-P251 PolarHBondContact NE2-O 3.28Å
229	C	88.5	Confident	89.9	Confident	49 Å²	49	57.4 Å²	57.4	33%	0.331	27%	0.274	S	S	.	.	S	Bend	trans	-165.3	-179.4	163.7	78.1	0	0	0	0	110.3	C226 Y231 H242 H247	C226-C229 CarbonylContact C-O 3.54Å; C226-C229 VanDerWaalsContact CB-O 3.32Å; C226-C229 WeakPolarHBondContact CB-O 3.33Å; C226-C229 VanDerWaalsContact O-O 3.13Å; C229-Y231 PolarHBondContact O-N 3.3Å; C229-Y231 VanDerWaalsContact O-N 3.13Å; C229-H242 PolarHBondContact SG-CE1 3.44Å; C229-H242 PolarHBondContact SG-NE2 2.94Å; C229-H247 PolarHBondContact SG-NE2 3.24Å; C229-H247 VanDerWaalsContact SG-NE2 3.36Å
230	E	84.2	Confident	90	Very high	174 Å²	174	55.8 Å²	55.8	81%	0.813	27%	0.27	S	S	*	.			trans	-73.3	0.7	-173.4	-51.3	-168.3	151.9	0	0	116.4	K232	E230-K232 VanDerWaalsContact O-CG 3.23Å; E230-K232 WeakPolarHBondContact O-CG 3.25Å; E230-K232 PolarHBondContact O-N 3.27Å
231	Y	93.8	Very high	90.2	Very high	71 Å²	71	54 Å²	54	28%	0.278	26%	0.256	S	S	.	.			trans	-58.6	126.1	-173.3	178.2	-89.5	0	0	0	113.1	Y225 C226 C229 V239 H242	Y225-Y231 CarbonylContact C-O 3.34Å; Y225-Y231 WeakPolarHBondContact CA-O 3.5Å; C226-Y231 PolarHBondContact N-O 3.4Å; C229-Y231 PolarHBondContact O-N 3.3Å; C229-Y231 VanDerWaalsContact O-N 3.13Å; Y231-V239 HydrophobicContact CD1-CG2 4.22Å; Y231-V239 HydrophobicContact CE1-CG2 4.15Å; Y231-H242 HydrophobicContact CD1-CB 3.51Å; Y231-H242 AromaticContact CD1-CD2 3.92Å; Y231-H242 AromaticContact CD1-CG 3.46Å; Y231-H242 VanDerWaalsContact CD1-CG 3.46Å; Y231-H242 AromaticContact CD1-ND1 4Å; Y231-H242 HydrophobicContact CD2-CB 4.46Å; Y231-H242 AromaticContact CD2-ND1 3.7Å; Y231-H242 HydrophobicContact CE1-CB 3.61Å; Y231-H242 HydrophobicContact CG-CB 3.97Å; Y231-H242 AromaticContact CG-CD2 3.9Å; Y231-H242 AromaticContact CG-CG 3.45Å; Y231-H242 VanDerWaalsContact CG-CG 3.45Å; Y231-H242 AromaticContact CG-ND1 3.5Å
232	K	90.3	Very high	90.1	Very high	101 Å²	101	55.5 Å²	55.5	44%	0.439	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.3	-179.6	-43.8	-176.8	-174.1	174.7	0	111.2	R222 Y224 Y225 E230	R222-K232 HydrophobicContact CB-CB 3.84Å; R222-K232 VanDerWaalsContact CZ-O 3.26Å; R222-K232 PolarHBondContact NE-O 2.84Å; R222-K232 PolarHBondContact NH2-O 3.42Å; Y224-K232 CarbonylContact O-C 3.31Å; Y224-K232 VanDerWaalsContact O-CA 3.27Å; Y224-K232 WeakPolarHBondContact O-CA 3.48Å; Y225-K232 HydrophobicContact CD1-CD 3.99Å; Y225-K232 HydrophobicContact CD1-CG 3.82Å; Y225-K232 HydrophobicContact CE1-CD 3.52Å; Y225-K232 HydrophobicContact CE1-CG 3.88Å; E230-K232 VanDerWaalsContact O-CG 3.23Å; E230-K232 WeakPolarHBondContact O-CG 3.25Å; E230-K232 PolarHBondContact O-N 3.27Å
233	G	92.9	Very high	89.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	155.6	-178.9	0	0	0	0	0	114.1	R222 Y224	R222-G233 CarbonylContact C-O 3.56Å; R222-G233 VanDerWaalsContact C-O 3.3Å; R222-G233 VanDerWaalsContact CA-O 3.25Å; R222-G233 WeakPolarHBondContact CA-O 3.35Å; Y224-G233 PolarHBondContact N-O 2.77Å; Y224-G233 PolarHBondContact O-N 2.86Å
234	Y	93.6	Very high	89.8	Confident	33 Å²	33	54.2 Å²	54.2	13%	0.129	27%	0.268	C	S	.	.	S	Bend	trans	-78.7	-26.2	178.1	-60.5	-83.7	0	0	0	112.7	R216 R217 Y221 R222 Y224	R216-Y234 HydrophobicContact CB-CD1 4.28Å; R216-Y234 WeakPolarHBondContact CD-O 3.4Å; R216-Y234 PolarHBondContact NH1-O 2.91Å; R216-Y234 WeakPolarHBondContact O-CD1 3.22Å; R216-Y234 WeakPolarHBondContact O-CE1 3.44Å; R217-Y234 HydrophobicContact CB-CD1 4.45Å; R217-Y234 HydrophobicContact CB-CE1 4.34Å; R217-Y234 HydrophobicContact CG-CD1 3.65Å; R217-Y234 HydrophobicContact CG-CD2 4.1Å; R217-Y234 HydrophobicContact CG-CE1 3.84Å; R217-Y234 HydrophobicContact CG-CE2 4.27Å; R217-Y234 HydrophobicContact CG-CG 3.8Å; Y221-Y234 VanDerWaalsContact O-CD1 3.31Å; Y221-Y234 WeakPolarHBondContact O-CD1 3.25Å; R222-Y234 HydrophobicContact CG-CD1 3.57Å; R222-Y234 HydrophobicContact CG-CD2 4.15Å; R222-Y234 HydrophobicContact CG-CE1 3.38Å; R222-Y234 HydrophobicContact CG-CE2 3.97Å; R222-Y234 HydrophobicContact CG-CG 3.95Å; R222-Y234 PolarHBondContact NH1-OH 3.13Å; Y224-Y234 WeakPolarHBondContact CE2-O 3.38Å
235	D	92.4	Very high	89.5	Confident	30 Å²	30	62 Å²	62	16%	0.16	30%	0.297	C	S	.	.	S	Bend	trans	-139.7	175.7	174.8	62.8	52.3	0	0	0	111.4	V213 R217 Y224 D237 D238	V213-D235 HydrophobicContact CG1-CB 3.9Å; V213-D235 WeakPolarHBondContact CG1-OD2 3.49Å; V213-D235 HydrophobicContact CG2-CB 4.13Å; R217-D235 IonicContact NH2-OD2 2.66Å; Y224-D235 VanDerWaalsContact CD2-C 3.48Å; D235-D237 VanDerWaalsContact C-N 3.33Å; D235-D237 WeakPolarHBondContact OD1-CA 3.17Å; D235-D237 WeakPolarHBondContact OD1-CB 3.37Å; D235-D237 PolarHBondContact OD1-N 3.03Å; D235-D238 PolarHBondContact OD1-N 3.37Å
236	V	89.5	Confident	89.2	Confident	68 Å²	68	61.1 Å²	61.1	41%	0.412	30%	0.304	S	S	.	.	H	α-helix	trans	-67.6	-32.9	-179.2	-175.9	0	0	0	0	111.8	Y224 V239 G240 L254	Y224-V236 HydrophobicContact CD1-CG2 3.83Å; Y224-V236 HydrophobicContact CE1-CG2 3.48Å; Y224-V236 VanDerWaalsContact CE1-CG2 3.48Å; V236-V239 PolarHBondContact O-N 3.01Å; V236-G240 PolarHBondContact O-N 3.45Å; V236-L254 HydrophobicContact CG1-CD1 4.34Å; V236-L254 HydrophobicContact CG1-CD2 3.79Å
237	D	90.8	Very high	89	Confident	119 Å²	119	62.1 Å²	62.1	64%	0.636	31%	0.308	S	S	*	.	H	α-helix	trans	-76.1	-29.7	-175.3	-68	-32.8	0	0	0	111.5	D235 R241	D235-D237 VanDerWaalsContact C-N 3.33Å; D235-D237 WeakPolarHBondContact OD1-CA 3.17Å; D235-D237 WeakPolarHBondContact OD1-CB 3.37Å; D235-D237 PolarHBondContact OD1-N 3.03Å; D237-R241 WeakPolarHBondContact O-CB 3.29Å; D237-R241 PolarHBondContact O-N 3.4Å; D237-R241 PolarHBondContact O-NH2 3.12Å
238	D	90	Very high	88.4	Confident	17 Å²	17	63 Å²	63	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-62.6	-44.5	169.9	-79	-15.2	0	0	0	111.2	R217 D235 R241 H242	R217-D238 IonicContact NH2-OD2 3.11Å; R217-D238 PolarHBondContact NH2-OD2 3.15Å; D235-D238 PolarHBondContact OD1-N 3.37Å; D238-R241 PolarHBondContact O-N 2.8Å; D238-R241 IonicContact OD1-CZ 2.74Å; D238-R241 IonicContact OD1-NH1 2.63Å; D238-R241 PolarHBondContact OD1-NH1 3.3Å; D238-R241 IonicContact OD1-NH2 3.55Å; D238-R241 PolarHBondContact OD1-NH2 3.16Å; D238-H242 WeakPolarHBondContact O-CB 3.45Å; D238-H242 PolarHBondContact O-N 2.99Å
239	V	89.3	Confident	87.9	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-74.8	-33.3	176.9	-174.3	0	0	0	0	112.5	C226 Y231 V236 R241 H242 T243 L254	C226-V239 HydrophobicContact CB-CG1 4.12Å; Y231-V239 HydrophobicContact CD1-CG2 4.22Å; Y231-V239 HydrophobicContact CE1-CG2 4.15Å; V236-V239 PolarHBondContact O-N 3.01Å; V239-R241 VanDerWaalsContact C-N 3.34Å; V239-H242 PolarHBondContact O-N 2.81Å; V239-T243 HydrophobicContact CG1-CG2 4.43Å; V239-T243 WeakPolarHBondContact O-CG2 3.4Å; V239-T243 PolarHBondContact O-N 3.12Å; V239-T243 PolarHBondContact O-OG1 3.06Å; V239-L254 HydrophobicContact CB-CB 4.4Å; V239-L254 HydrophobicContact CB-CD2 4.3Å; V239-L254 HydrophobicContact CG1-CB 3.66Å; V239-L254 HydrophobicContact CG1-CD2 4.26Å
240	G	89.6	Confident	87	Confident	18 Å²	18	73.1 Å²	73.1	19%	0.186	36%	0.359	C	S	.	.	H	α-helix	trans	-63.2	-38.2	170.7	0	0	0	0	0	112.8	V236 T243 S244	V236-G240 PolarHBondContact O-N 3.45Å; G240-T243 WeakPolarHBondContact CA-OG1 3.48Å; G240-T243 PolarHBondContact O-OG1 2.84Å; G240-T243 VanDerWaalsContact O-OG1 3.08Å; G240-S244 WeakPolarHBondContact O-CB 3.41Å; G240-S244 PolarHBondContact O-N 3.36Å; G240-S244 VanDerWaalsContact O-N 3.15Å; G240-S244 PolarHBondContact O-OG 3.44Å
241	R	90.2	Very high	86.2	Confident	112 Å²	112	68.9 Å²	68.9	42%	0.423	35%	0.347	S	S	.	.	H	α-helix	trans	-76.1	-25.6	175.9	-162	-173.4	-41.2	115.5	16.8	113	D237 D238 V239 S244 R245	D237-R241 WeakPolarHBondContact O-CB 3.29Å; D237-R241 PolarHBondContact O-N 3.4Å; D237-R241 PolarHBondContact O-NH2 3.12Å; D238-R241 PolarHBondContact O-N 2.8Å; D238-R241 IonicContact OD1-CZ 2.74Å; D238-R241 IonicContact OD1-NH1 2.63Å; D238-R241 PolarHBondContact OD1-NH1 3.3Å; D238-R241 IonicContact OD1-NH2 3.55Å; D238-R241 PolarHBondContact OD1-NH2 3.16Å; V239-R241 VanDerWaalsContact C-N 3.34Å; R241-S244 WeakPolarHBondContact CA-OG 3.38Å; R241-R245 VanDerWaalsContact O-CD 3.29Å; R241-R245 WeakPolarHBondContact O-CD 3.37Å; R241-R245 VanDerWaalsContact O-CG 3.27Å; R241-R245 WeakPolarHBondContact O-CG 3.33Å
242	H	91	Very high	84.8	Confident	44 Å²	44	71.7 Å²	71.7	20%	0.204	36%	0.362	C	S	.	.	H	α-helix	trans	-71.2	-55.6	168.4	170.3	74.5	0	0	0	111.4	C226 C229 Y231 D238 V239 S244 R245 A246 H247	C226-H242 PolarHBondContact SG-NE2 3Å; C229-H242 PolarHBondContact SG-CE1 3.44Å; C229-H242 PolarHBondContact SG-NE2 2.94Å; Y231-H242 HydrophobicContact CD1-CB 3.51Å; Y231-H242 AromaticContact CD1-CD2 3.92Å; Y231-H242 AromaticContact CD1-CG 3.46Å; Y231-H242 VanDerWaalsContact CD1-CG 3.46Å; Y231-H242 AromaticContact CD1-ND1 4Å; Y231-H242 HydrophobicContact CD2-CB 4.46Å; Y231-H242 AromaticContact CD2-ND1 3.7Å; Y231-H242 HydrophobicContact CE1-CB 3.61Å; Y231-H242 HydrophobicContact CG-CB 3.97Å; Y231-H242 AromaticContact CG-CD2 3.9Å; Y231-H242 AromaticContact CG-CG 3.45Å; Y231-H242 VanDerWaalsContact CG-CG 3.45Å; Y231-H242 AromaticContact CG-ND1 3.5Å; D238-H242 WeakPolarHBondContact O-CB 3.45Å; D238-H242 PolarHBondContact O-N 2.99Å; V239-H242 PolarHBondContact O-N 2.81Å; H242-S244 VanDerWaalsContact C-N 3.34Å; H242-S244 PolarHBondContact O-N 2.97Å; H242-R245 WeakPolarHBondContact O-CA 3.41Å; H242-R245 PolarHBondContact O-N 2.6Å; H242-A246 WeakPolarHBondContact CE1-CB 3.3Å; H242-A246 PolarHBondContact O-N 3.06Å; H242-H247 AromaticContact CD2-NE2 3.96Å; H242-H247 AromaticContact NE2-CD2 2.86Å; H242-H247 PolarHBondContact NE2-CD2 2.88Å; H242-H247 AromaticContact NE2-CE1 3.32Å; H242-H247 PolarHBondContact NE2-CE1 3.17Å; H242-H247 VanDerWaalsContact NE2-CE1 3.32Å; H242-H247 AromaticContact NE2-NE2 2.16Å; H242-H247 PolarHBondContact NE2-NE2 3.37Å
243	T	87	Confident	83.9	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.006	37%	0.366	C	S	.	.	H	α-helix	trans	-56.6	-45.3	-178.1	43.9	0	0	0	0	112.2	C226 V239 G240 R245 H247	C226-T243 VanDerWaalsContact SG-CG2 3.56Å; V239-T243 HydrophobicContact CG1-CG2 4.43Å; V239-T243 WeakPolarHBondContact O-CG2 3.4Å; V239-T243 PolarHBondContact O-N 3.12Å; V239-T243 PolarHBondContact O-OG1 3.06Å; G240-T243 WeakPolarHBondContact CA-OG1 3.48Å; G240-T243 PolarHBondContact O-OG1 2.84Å; G240-T243 VanDerWaalsContact O-OG1 3.08Å; T243-R245 PolarHBondContact O-N 3.3Å; T243-H247 CarbonylContact O-C 3.55Å; T243-H247 WeakPolarHBondContact O-CA 3.43Å; T243-H247 PolarHBondContact O-N 3.36Å
244	S	87.3	Confident	83.5	Confident	59 Å²	59	73.8 Å²	73.8	41%	0.413	38%	0.378	S	S	.	.	H	α-helix	trans	-67.5	0	174.8	54.9	0	0	0	0	116	G240 R241 H242	G240-S244 WeakPolarHBondContact O-CB 3.41Å; G240-S244 PolarHBondContact O-N 3.36Å; G240-S244 VanDerWaalsContact O-N 3.15Å; G240-S244 PolarHBondContact O-OG 3.44Å; R241-S244 WeakPolarHBondContact CA-OG 3.38Å; H242-S244 VanDerWaalsContact C-N 3.34Å; H242-S244 PolarHBondContact O-N 2.97Å
245	R	88.9	Confident	83.1	Confident	195 Å²	195	75.9 Å²	75.9	74%	0.736	39%	0.392	S	S	*	.	H	α-helix	trans	-118.9	-42.2	175.8	-71.6	178.4	175.5	-174.8	-4.1	113.6	R241 H242 T243	R241-R245 VanDerWaalsContact O-CD 3.29Å; R241-R245 WeakPolarHBondContact O-CD 3.37Å; R241-R245 VanDerWaalsContact O-CG 3.27Å; R241-R245 WeakPolarHBondContact O-CG 3.33Å; H242-R245 WeakPolarHBondContact O-CA 3.41Å; H242-R245 PolarHBondContact O-N 2.6Å; T243-R245 PolarHBondContact O-N 3.3Å
246	A	82.7	Confident	82.9	Confident	47 Å²	47	78.9 Å²	78.9	39%	0.388	40%	0.404	S	S	.	.	H	α-helix	trans	-93	-22	-177.8	0	0	0	0	0	113.3	H242	H242-A246 WeakPolarHBondContact CE1-CB 3.3Å; H242-A246 PolarHBondContact O-N 3.06Å
247	H	85	Confident	82.6	Confident	29 Å²	29	82.5 Å²	82.5	13%	0.134	41%	0.414	C	S	.	.			trans	-138.3	51.1	-175.9	-43.5	-65.4	0	0	0	111.2	C226 H228 C229 H242 T243 E249 K250	C226-H247 PolarHBondContact SG-CD2 3.19Å; C226-H247 PolarHBondContact SG-NE2 2.99Å; H228-H247 HydrophobicContact CB-CB 4.17Å; H228-H247 PolarHBondContact O-CE1 2.63Å; H228-H247 VanDerWaalsContact O-CE1 3.26Å; C229-H247 PolarHBondContact SG-NE2 3.24Å; C229-H247 VanDerWaalsContact SG-NE2 3.36Å; H242-H247 AromaticContact CD2-NE2 3.96Å; H242-H247 AromaticContact NE2-CD2 2.86Å; H242-H247 PolarHBondContact NE2-CD2 2.88Å; H242-H247 AromaticContact NE2-CE1 3.32Å; H242-H247 PolarHBondContact NE2-CE1 3.17Å; H242-H247 VanDerWaalsContact NE2-CE1 3.32Å; H242-H247 AromaticContact NE2-NE2 2.16Å; H242-H247 PolarHBondContact NE2-NE2 3.37Å; T243-H247 CarbonylContact O-C 3.55Å; T243-H247 WeakPolarHBondContact O-CA 3.43Å; T243-H247 PolarHBondContact O-N 3.36Å; H247-E249 PolarHBondContact O-N 3.32Å; H247-K250 HydrophobicContact CB-CB 4.21Å; H247-K250 PolarHBondContact O-N 3.41Å
248	P	74.9	Confident	82.2	Confident	101 Å²	101	79.7 Å²	79.7	66%	0.656	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.8	-167.3	24.9	-35.4	0	0	0	114.6
249	E	74.1	Confident	81.9	Confident	192 Å²	192	82.1 Å²	82.1	90%	0.897	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-11.9	-179.2	-58.6	-175.4	158.2	0	0	113.6	H247	H247-E249 PolarHBondContact O-N 3.32Å
250	K	69.8	Low	81.6	Confident	125 Å²	125	85 Å²	85	54%	0.543	44%	0.441	S	S	.	.	S	Bend	trans	-95.5	143.2	178.9	-59.4	-169.8	178.1	-175.1	0	110.3	H228 H247	H228-K250 HydrophobicContact CB-CD 4.42Å; H247-K250 HydrophobicContact CB-CB 4.21Å; H247-K250 PolarHBondContact O-N 3.41Å
251	P	66.2	Low	81.3	Confident	85 Å²	85	89.5 Å²	89.5	55%	0.552	46%	0.461	S	S	*	.			trans	-61.5	144.5	-175.1	23.6	-34	0	0	0	112.3	H228 N253	H228-P251 PolarHBondContact NE2-O 3.28Å; P251-N253 PolarHBondContact O-N 3.03Å
252	Q	64.7	Low	81	Confident	129 Å²	129	86.9 Å²	86.9	60%	0.603	46%	0.455	S	S	*	.			trans	-72.3	56.8	-177.8	-64.8	-178.5	0.8	0	0	113.1
253	N	71.1	Confident	80.8	Confident	95 Å²	95	87 Å²	87	51%	0.508	46%	0.455	S	S	.	.			trans	-90.9	143.7	169.8	-64	-35.6	0	0	0	109.6	I227 P251	I227-N253 HydrophobicContact CD1-CB 3.69Å; I227-N253 HydrophobicContact CG1-CB 4.5Å; P251-N253 PolarHBondContact O-N 3.03Å
254	L	86.1	Confident	80.8	Confident	50 Å²	50	90.3 Å²	90.3	26%	0.262	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	140.6	-178.2	55.5	97.5	0	0	0	109.3	Y224 Y225 V236 V239	Y224-L254 HydrophobicContact CD1-CD1 4Å; Y225-L254 CarbonylContact O-C 3.33Å; Y225-L254 WeakPolarHBondContact O-CA 3.46Å; Y225-L254 WeakPolarHBondContact O-CB 3.32Å; V236-L254 HydrophobicContact CG1-CD1 4.34Å; V236-L254 HydrophobicContact CG1-CD2 3.79Å; V239-L254 HydrophobicContact CB-CB 4.4Å; V239-L254 HydrophobicContact CB-CD2 4.3Å; V239-L254 HydrophobicContact CG1-CB 3.66Å; V239-L254 HydrophobicContact CG1-CD2 4.26Å
255	N	84	Confident	80.7	Confident	78 Å²	78	94.9 Å²	94.9	42%	0.417	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	145.2	177.2	-81.6	-26.7	0	0	0	110	Y224 Y225 I227	Y224-N255 WeakPolarHBondContact CA-O 3.45Å; Y225-N255 PolarHBondContact N-O 2.9Å; Y225-N255 PolarHBondContact O-N 3.07Å; I227-N255 HydrophobicContact CG1-CB 4.35Å
256	F	89.3	Confident	80.6	Confident	93 Å²	93	85.7 Å²	85.7	41%	0.408	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	112.2	173.2	178.3	-113	0	0	0	107.9	P223 Y224 P258	P223-F256 HydrophobicContact CB-CD2 4.09Å; P223-F256 HydrophobicContact CB-CE2 3.7Å; P223-F256 HydrophobicContact CG-CD2 4.5Å; P223-F256 HydrophobicContact CG-CE2 3.89Å; P223-F256 WeakPolarHBondContact O-CA 3.35Å; P223-F256 WeakPolarHBondContact O-CD2 3.28Å; Y224-F256 HydrophobicContact CD1-CB 4.38Å; Y224-F256 AromaticContact CD1-CD2 3.56Å; Y224-F256 HydrophobicContact CD1-CD2 3.56Å; Y224-F256 HydrophobicContact CD1-CE2 4.31Å; Y224-F256 HydrophobicContact CD1-CG 4.37Å; Y224-F256 AromaticContact CE1-CD2 3.26Å; Y224-F256 HydrophobicContact CE1-CD2 3.26Å; Y224-F256 AromaticContact CE1-CE2 3.67Å; Y224-F256 HydrophobicContact CE1-CE2 3.67Å; Y224-F256 HydrophobicContact CE1-CG 4.12Å; Y224-F256 HydrophobicContact CE2-CD2 4.37Å; Y224-F256 HydrophobicContact CE2-CE2 4.22Å; Y224-F256 HydrophobicContact CG-CD2 4.23Å; Y224-F256 AromaticContact CZ-CD2 3.72Å; Y224-F256 AromaticContact CZ-CE2 3.61Å; F256-P258 HydrophobicContact CD1-CG 4.2Å; F256-P258 HydrophobicContact CE1-CB 4.04Å; F256-P258 HydrophobicContact CE1-CG 3.64Å; F256-P258 HydrophobicContact CE2-CB 4.49Å; F256-P258 HydrophobicContact CZ-CB 3.85Å; F256-P258 HydrophobicContact CZ-CG 4.01Å
257	K	82.6	Confident	80.8	Confident	144 Å²	144	88 Å²	88	63%	0.626	45%	0.449	S	S	*	.			trans	-121.8	92	175.7	-72.7	-169.9	174.7	-170.8	0	108	P223 Y225	P223-K257 PolarHBondContact O-N 3.33Å; Y225-K257 HydrophobicContact CD2-CB 4.23Å; Y225-K257 HydrophobicContact CE2-CB 3.74Å
258	P	81.7	Confident	80.6	Confident	60 Å²	60	92.3 Å²	92.3	39%	0.39	47%	0.469	S	S	.	.			trans	-78.9	139.2	174.1	32.6	-33.1	0	0	0	110.6	Y221 F256 E263	Y221-P258 WeakPolarHBondContact OH-CA 3.5Å; Y221-P258 WeakPolarHBondContact OH-CB 3.49Å; F256-P258 HydrophobicContact CD1-CG 4.2Å; F256-P258 HydrophobicContact CE1-CB 4.04Å; F256-P258 HydrophobicContact CE1-CG 3.64Å; F256-P258 HydrophobicContact CE2-CB 4.49Å; F256-P258 HydrophobicContact CZ-CB 3.85Å; F256-P258 HydrophobicContact CZ-CG 4.01Å; P258-E263 HydrophobicContact CB-CG 4.37Å
259	T	85.5	Confident	80.7	Confident	68 Å²	68	88.7 Å²	88.7	42%	0.417	44%	0.443	S	S	.	.			trans	-89.9	127.8	159.3	45.3	0	0	0	0	108.1	Y221 D261 E263	Y221-T259 VanDerWaalsContact CE2-OG1 3.31Å; Y221-T259 WeakPolarHBondContact CE2-OG1 3.47Å; Y221-T259 PolarHBondContact OH-N 2.8Å; Y221-T259 PolarHBondContact OH-O 3.29Å; Y221-T259 VanDerWaalsContact OH-O 3.08Å; T259-D261 VanDerWaalsContact C-N 3.3Å; T259-D261 PolarHBondContact O-N 2.99Å; T259-E263 PolarHBondContact O-N 2.71Å; T259-E263 VanDerWaalsContact O-N 3.09Å
260	A	82	Confident	81.1	Confident	60 Å²	60	80.2 Å²	80.2	50%	0.496	40%	0.404	S	S	.	.	H	α-helix	trans	-61.4	-40.9	-170.2	0	0	0	0	0	111.9	E263 N264	A260-E263 CarbonylContact O-C 3.24Å; A260-E263 WeakPolarHBondContact O-CB 3.3Å; A260-E263 PolarHBondContact O-N 2.39Å; A260-N264 WeakPolarHBondContact O-CB 3.45Å; A260-N264 PolarHBondContact O-N 3.24Å; A260-N264 PolarHBondContact O-ND2 2.55Å; A260-N264 PolarHBondContact O-OD1 3.05Å
261	D	83.1	Confident	81.3	Confident	112 Å²	112	77.3 Å²	77.3	60%	0.599	40%	0.4	S	S	*	.	H	α-helix	trans	-71	-42.1	-172.1	-37.6	-70.5	0	0	0	111.4	T259 N264 R265	T259-D261 VanDerWaalsContact C-N 3.3Å; T259-D261 PolarHBondContact O-N 2.99Å; D261-N264 PolarHBondContact O-N 2.74Å; D261-R265 WeakPolarHBondContact O-CG 3.12Å; D261-R265 PolarHBondContact O-N 3.02Å
262	L	83.9	Confident	81.3	Confident	57 Å²	57	76.6 Å²	76.6	30%	0.298	40%	0.401	S	S	.	.	H	α-helix	trans	-70.4	-33.3	173.2	-91	62.4	0	0	0	111.6	Y221 N264 V266	Y221-L262 HydrophobicContact CD1-CB 3.91Å; Y221-L262 HydrophobicContact CD2-CB 3.98Å; Y221-L262 HydrophobicContact CD2-CD2 3.73Å; Y221-L262 HydrophobicContact CE1-CB 3.98Å; Y221-L262 HydrophobicContact CE2-CB 4.06Å; Y221-L262 HydrophobicContact CE2-CD2 4.39Å; Y221-L262 HydrophobicContact CG-CB 3.93Å; Y221-L262 HydrophobicContact CG-CD2 3.96Å; Y221-L262 HydrophobicContact CG-CG 4.49Å; L262-N264 VanDerWaalsContact C-N 3.3Å; L262-V266 WeakPolarHBondContact O-CG2 3.18Å; L262-V266 PolarHBondContact O-N 3.23Å
263	E	87	Confident	81.3	Confident	46 Å²	46	72.8 Å²	72.8	22%	0.215	39%	0.388	C	S	.	.	H	α-helix	trans	-63.5	-36.9	169.7	-108	-152.8	-154.6	0	0	112.4	Y221 P258 T259 A260 K267	Y221-E263 HydrophobicContact CE1-CB 4.33Å; Y221-E263 HydrophobicContact CE1-CG 3.82Å; P258-E263 HydrophobicContact CB-CG 4.37Å; T259-E263 PolarHBondContact O-N 2.71Å; T259-E263 VanDerWaalsContact O-N 3.09Å; A260-E263 CarbonylContact O-C 3.24Å; A260-E263 WeakPolarHBondContact O-CB 3.3Å; A260-E263 PolarHBondContact O-N 2.39Å; E263-K267 VanDerWaalsContact O-CD 3.27Å; E263-K267 WeakPolarHBondContact O-CD 3.42Å; E263-K267 WeakPolarHBondContact O-CE 3.4Å; E263-K267 WeakPolarHBondContact O-CG 3.33Å; E263-K267 PolarHBondContact O-N 3.34Å; E263-K267 WeakPolarHBondContact OE2-CE 3.38Å; E263-K267 IonicContact OE2-NZ 3.81Å; E263-K267 PolarHBondContact OE2-NZ 2.83Å
264	N	87.2	Confident	80.8	Confident	72 Å²	72	76.2 Å²	76.2	39%	0.385	39%	0.394	S	S	.	.	H	α-helix	trans	-73.4	-43.4	178.4	-67.5	-15.5	0	0	0	111.4	A260 D261 L262 V266 K267 E268	A260-N264 WeakPolarHBondContact O-CB 3.45Å; A260-N264 PolarHBondContact O-N 3.24Å; A260-N264 PolarHBondContact O-ND2 2.55Å; A260-N264 PolarHBondContact O-OD1 3.05Å; D261-N264 PolarHBondContact O-N 2.74Å; L262-N264 VanDerWaalsContact C-N 3.3Å; N264-V266 VanDerWaalsContact C-N 3.32Å; N264-V266 PolarHBondContact O-N 3.45Å; N264-K267 CarbonylContact O-C 3.03Å; N264-K267 WeakPolarHBondContact O-CA 3.43Å; N264-K267 WeakPolarHBondContact O-CB 3.35Å; N264-K267 PolarHBondContact O-N 3.34Å; N264-K267 PolarHBondContact OD1-NZ 3.14Å; N264-K267 VanDerWaalsContact OD1-NZ 3.1Å; N264-E268 WeakPolarHBondContact O-CG 3.45Å; N264-E268 PolarHBondContact O-N 3.07Å
265	R	85.9	Confident	78.5	Confident	154 Å²	154	82.8 Å²	82.8	58%	0.581	42%	0.42	S	S	*	.	H	α-helix	trans	-58.9	-39.3	171.8	-67.7	175	101.6	168	6.8	112.3	L219 D261 K267 E268 M269	L219-R265 HydrophobicContact CD1-CB 3.67Å; D261-R265 WeakPolarHBondContact O-CG 3.12Å; D261-R265 PolarHBondContact O-N 3.02Å; R265-K267 VanDerWaalsContact C-N 3.34Å; R265-K267 PolarHBondContact O-N 3.15Å; R265-E268 PolarHBondContact O-N 3.27Å; R265-M269 VanDerWaalsContact O-CG 3.24Å; R265-M269 WeakPolarHBondContact O-CG 3.34Å; R265-M269 PolarHBondContact O-N 2.94Å
266	V	86.4	Confident	75.8	Confident	3 Å²	3	87.2 Å²	87.2	2%	0.018	44%	0.442	C	S	.	.	H	α-helix	trans	-57.6	-44.2	169.7	164.9	0	0	0	0	111.7	E212 M215 R216 L219 Y221 L262 N264 I270	E212-V266 HydrophobicContact CG-CG1 3.85Å; M215-V266 HydrophobicContact CB-CG1 4.16Å; M215-V266 HydrophobicContact CB-CG2 4.43Å; R216-V266 HydrophobicContact CG-CG2 4Å; L219-V266 HydrophobicContact CD1-CG2 3.91Å; Y221-V266 HydrophobicContact CD1-CG2 4.1Å; L262-V266 WeakPolarHBondContact O-CG2 3.18Å; L262-V266 PolarHBondContact O-N 3.23Å; N264-V266 VanDerWaalsContact C-N 3.32Å; N264-V266 PolarHBondContact O-N 3.45Å; V266-I270 HydrophobicContact CG1-CD1 3.81Å; V266-I270 VanDerWaalsContact O-CD1 3.26Å; V266-I270 WeakPolarHBondContact O-CD1 3.43Å; V266-I270 WeakPolarHBondContact O-CG1 3.22Å; V266-I270 PolarHBondContact O-N 2.8Å
267	K	85.5	Confident	73	Confident	96 Å²	96	86.7 Å²	86.7	42%	0.417	46%	0.463	S	S	.	.	H	α-helix	trans	-68.7	-37	179.9	-65	156.6	-156.6	160.7	0	111.5	E263 N264 R265 I270 S271	E263-K267 VanDerWaalsContact O-CD 3.27Å; E263-K267 WeakPolarHBondContact O-CD 3.42Å; E263-K267 WeakPolarHBondContact O-CE 3.4Å; E263-K267 WeakPolarHBondContact O-CG 3.33Å; E263-K267 PolarHBondContact O-N 3.34Å; E263-K267 WeakPolarHBondContact OE2-CE 3.38Å; E263-K267 IonicContact OE2-NZ 3.81Å; E263-K267 PolarHBondContact OE2-NZ 2.83Å; N264-K267 CarbonylContact O-C 3.03Å; N264-K267 WeakPolarHBondContact O-CA 3.43Å; N264-K267 WeakPolarHBondContact O-CB 3.35Å; N264-K267 PolarHBondContact O-N 3.34Å; N264-K267 PolarHBondContact OD1-NZ 3.14Å; N264-K267 VanDerWaalsContact OD1-NZ 3.1Å; R265-K267 VanDerWaalsContact C-N 3.34Å; R265-K267 PolarHBondContact O-N 3.15Å; K267-I270 PolarHBondContact O-N 3.27Å; K267-S271 WeakPolarHBondContact O-CB 3.07Å; K267-S271 PolarHBondContact O-N 3.38Å
268	E	81.7	Confident	70.1	Confident	119 Å²	119	84 Å²	84	56%	0.556	48%	0.476	S	S	*	.	H	α-helix	trans	-65.9	-47.8	176.3	-72.6	164.2	177.6	0	0	112.1	N264 R265 I270 S271 A272	N264-E268 WeakPolarHBondContact O-CG 3.45Å; N264-E268 PolarHBondContact O-N 3.07Å; R265-E268 PolarHBondContact O-N 3.27Å; E268-I270 VanDerWaalsContact C-N 3.26Å; E268-I270 PolarHBondContact O-N 2.87Å; E268-S271 CarbonylContact O-C 3.56Å; E268-S271 WeakPolarHBondContact O-CA 3.48Å; E268-S271 VanDerWaalsContact O-CB 3.26Å; E268-S271 WeakPolarHBondContact O-CB 3.48Å; E268-S271 PolarHBondContact O-N 2.88Å; E268-A272 PolarHBondContact O-N 2.96Å
269	M	77.8	Confident	67.2	Low	24 Å²	24	84.9 Å²	84.9	12%	0.118	50%	0.496	C	S	.	.	H	α-helix	trans	-56.6	-41.3	173.7	-66.1	156	77.9	0	0	111.3	E200 M215 H218 L219 R265 S271 C273	E200-M269 WeakPolarHBondContact OE1-CE 3.15Å; M215-M269 HydrophobicContact CB-CE 4.1Å; M215-M269 HydrophobicContact CB-SD 4.47Å; M215-M269 HydrophobicContact CE-CB 4.09Å; M215-M269 HydrophobicContact CG-CB 4.23Å; M215-M269 HydrophobicContact CG-CE 4.3Å; M215-M269 HydrophobicContact SD-CB 4.25Å; M215-M269 HydrophobicContact SD-CE 3.75Å; H218-M269 HydrophobicContact CB-CE 3.69Å; L219-M269 HydrophobicContact CD1-SD 3.66Å; L219-M269 HydrophobicContact CD2-CE 4.14Å; L219-M269 HydrophobicContact CD2-SD 3.77Å; L219-M269 HydrophobicContact CG-CE 4.07Å; L219-M269 HydrophobicContact CG-SD 3.62Å; R265-M269 VanDerWaalsContact O-CG 3.24Å; R265-M269 WeakPolarHBondContact O-CG 3.34Å; R265-M269 PolarHBondContact O-N 2.94Å; M269-S271 VanDerWaalsContact C-N 3.27Å; M269-S271 PolarHBondContact O-N 2.76Å; M269-C273 PolarHBondContact O-N 3.24Å; M269-C273 VanDerWaalsContact O-N 3.17Å; M269-C273 PolarHBondContact O-SG 3.46Å
270	I	81.8	Confident	64.3	Low	14 Å²	14	86 Å²	86	7%	0.072	51%	0.512	C	S	.	.	H	α-helix	trans	-68.2	-25	175.3	-66.2	164.2	0	0	0	112.4	L211 E212 M215 V266 K267 E268 R274	L211-I270 HydrophobicContact CD2-CG1 4.33Å; L211-I270 HydrophobicContact CD2-CG2 4.37Å; L211-I270 HydrophobicContact CG-CG1 4.36Å; E212-I270 HydrophobicContact CB-CD1 3.81Å; E212-I270 HydrophobicContact CG-CD1 3.88Å; M215-I270 HydrophobicContact CG-CD1 4.46Å; M215-I270 HydrophobicContact CG-CG1 3.84Å; V266-I270 HydrophobicContact CG1-CD1 3.81Å; V266-I270 VanDerWaalsContact O-CD1 3.26Å; V266-I270 WeakPolarHBondContact O-CD1 3.43Å; V266-I270 WeakPolarHBondContact O-CG1 3.22Å; V266-I270 PolarHBondContact O-N 2.8Å; K267-I270 PolarHBondContact O-N 3.27Å; E268-I270 VanDerWaalsContact C-N 3.26Å; E268-I270 PolarHBondContact O-N 2.87Å; I270-R274 VanDerWaalsContact CG2-NH2 3.33Å; I270-R274 WeakPolarHBondContact O-CG 3.5Å; I270-R274 PolarHBondContact O-NE 3.16Å
271	S	74.8	Confident	61.3	Low	65 Å²	65	88.9 Å²	88.9	46%	0.455	52%	0.524	S	S	.	.	H	α-helix	trans	-79.6	-46.2	176.3	-165.8	0	0	0	0	111.4	K267 E268 M269 C273 R274	K267-S271 WeakPolarHBondContact O-CB 3.07Å; K267-S271 PolarHBondContact O-N 3.38Å; E268-S271 CarbonylContact O-C 3.56Å; E268-S271 WeakPolarHBondContact O-CA 3.48Å; E268-S271 VanDerWaalsContact O-CB 3.26Å; E268-S271 WeakPolarHBondContact O-CB 3.48Å; E268-S271 PolarHBondContact O-N 2.88Å; M269-S271 VanDerWaalsContact C-N 3.27Å; M269-S271 PolarHBondContact O-N 2.76Å; S271-C273 VanDerWaalsContact C-N 3.28Å; S271-C273 PolarHBondContact O-N 3.14Å; S271-R274 WeakPolarHBondContact O-CB 3.39Å; S271-R274 PolarHBondContact O-N 2.92Å
272	A	65.4	Low	58.4	Low	70 Å²	70	88 Å²	88	58%	0.579	52%	0.523	S	S	*	.	H	α-helix	trans	-55	-43.9	174.4	0	0	0	0	0	111.5	E268 R274 K275	E268-A272 PolarHBondContact O-N 2.96Å; A272-R274 PolarHBondContact O-N 3.37Å; A272-K275 PolarHBondContact O-N 3.11Å
273	C	65.4	Low	55.5	Low	48 Å²	48	90 Å²	90	32%	0.324	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	0.6	176.3	-65.3	0	0	0	0	115.5	G199 M215 M269 S271	G199-C273 PolarHBondContact N-SG 3.46Å; M215-C273 WeakPolarHBondContact CE-SG 3.26Å; M269-C273 PolarHBondContact O-N 3.24Å; M269-C273 VanDerWaalsContact O-N 3.17Å; M269-C273 PolarHBondContact O-SG 3.46Å; S271-C273 VanDerWaalsContact C-N 3.28Å; S271-C273 PolarHBondContact O-N 3.14Å
274	R	60.2	Low	52.3	Low	168 Å²	168	92.5 Å²	92.5	63%	0.634	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	-8.9	-178.4	-64.8	178	-166	-157.4	5.5	115.5	I270 S271 A272 I276	I270-R274 VanDerWaalsContact CG2-NH2 3.33Å; I270-R274 WeakPolarHBondContact O-CG 3.5Å; I270-R274 PolarHBondContact O-NE 3.16Å; S271-R274 WeakPolarHBondContact O-CB 3.39Å; S271-R274 PolarHBondContact O-N 2.92Å; A272-R274 PolarHBondContact O-N 3.37Å; R274-I276 VanDerWaalsContact C-N 3.31Å; R274-I276 PolarHBondContact O-N 3.29Å
275	K	36.4	Very low	49.1	Very low	188 Å²	188	93.5 Å²	93.5	82%	0.817	57%	0.568	S	S	*	*			trans	-82.8	9.1	-169.2	-85.7	-170.2	173.2	-176.9	0	116	A272	A272-K275 PolarHBondContact O-N 3.11Å
276	I	29.2	Very low	46	Very low	170 Å²	170	90.3 Å²	90.3	87%	0.872	57%	0.566	S	S	*	*	S	Bend	trans	-102.2	107.2	-179.5	-55.6	179.1	0	0	0	110.9	R274	R274-I276 VanDerWaalsContact C-N 3.31Å; R274-I276 PolarHBondContact O-N 3.29Å
277	G	29.1	Very low	42.9	Very low	82 Å²	82	94.2 Å²	94.2	85%	0.845	59%	0.591	S	S	*	*			trans	104.3	100.2	162.7	0	0	0	0	0	116.9
278	G	22.1	Very low	39.8	Very low	87 Å²	87	94.8 Å²	94.8	90%	0.897	60%	0.602	S	S	*	*			trans	-179.2	123.3	167.7	0	0	0	0	0	115.4
279	G	21.7	Very low	36.8	Very low	80 Å²	80	91.8 Å²	91.8	83%	0.825	59%	0.594	S	S	*	*			trans	149.9	150.6	178.4	0	0	0	0	0	110.6
280	A	22.7	Very low	34	Very low	91 Å²	91	99.7 Å²	99.7	75%	0.752	63%	0.628	S	S	*	*			cis	-156.1	164.4	-8.9	0	0	0	0	0	112.1
281	T	21	Very low	31.1	Very low	121 Å²	121	101.1 Å²	101.1	74%	0.742	65%	0.646	S	S	*	*			trans	7.4	151.3	143.6	56.4	0	0	0	0	121.2
282	T	21.8	Very low	28.5	Very low	93 Å²	93	101.3 Å²	101.3	57%	0.571	65%	0.648	S	S	*	*			cis	-174.5	-175.6	6.5	20.3	0	0	0	0	111.4	C577	T282-C577 VanDerWaalsContact CB-SG 3.59Å; T282-C577 HydrophobicContact CG2-CB 4.21Å; T282-C577 WeakPolarHBondContact CG2-SG 3.4Å
283	L	21.9	Very low	26.4	Very low	100 Å²	100	99.9 Å²	99.9	52%	0.524	64%	0.64	S	S	.	*			trans	78.6	121.7	168.6	-61.4	167.5	0	0	0	114.5	C577	L283-C577 HydrophobicContact CD1-CB 4.25Å; L283-C577 HydrophobicContact CD2-CB 3.65Å; L283-C577 VanDerWaalsContact CD2-SG 3.58Å; L283-C577 HydrophobicContact CG-CB 3.84Å
284	S	20.4	Very low	24.2	Very low	97 Å²	97	100.9 Å²	100.9	68%	0.678	64%	0.639	S	S	*	*				79	133.9	58.3	76.1	0	0	0	0	113.7
285	S	20.3	Very low	22.4	Very low	94 Å²	94	98.2 Å²	98.2	66%	0.657	64%	0.637	S	S	*	*			cis	-171.5	150.6	1.4	40.8	0	0	0	0	112.3
286	V	21.2	Very low	21.7	Very low	87 Å²	87	96.6 Å²	96.6	53%	0.527	63%	0.634	S	S	.	*				35.9	140.1	126.3	-178.1	0	0	0	0	119.5	T548 D549	V286-T548 HydrophobicContact CB-CG2 4.03Å; V286-T548 HydrophobicContact CG1-CG2 3.66Å; V286-T548 HydrophobicContact CG2-CG2 3.63Å; V286-D549 PolarHBondContact N-O 3.37Å
287	P	20.2	Very low	21.4	Very low	84 Å²	84	94.7 Å²	94.7	55%	0.545	62%	0.624	S	S	.	*			cis	-131.8	-178.8	-7.2	31.5	-9.6	0	0	0	115.7	T547 T548	P287-T547 HydrophobicContact CB-CG2 3.65Å; P287-T548 HydrophobicContact CB-CG2 4.46Å
288	V	19.7	Very low	20.9	Very low	109 Å²	109	97.2 Å²	97.2	66%	0.661	62%	0.619	S	S	*	*				170.2	144.7	116.9	158.8	0	0	0	0	112.1	D549	V288-D549 VanDerWaalsContact N-CG 3.33Å; V288-D549 PolarHBondContact N-OD2 3.2Å
289	S	20.3	Very low	21.1	Very low	55 Å²	55	97.1 Å²	97.1	39%	0.385	60%	0.602	S	S	.	*			trans	-85.9	155.8	-154.4	51	0	0	0	0	119.1	T547	S289-T547 WeakPolarHBondContact CB-OG1 3.17Å
290	K	19.3	Very low	20.9	Very low	191 Å²	191	96 Å²	96	83%	0.83	58%	0.582	S	S	*	*			trans	154.4	132.1	137.1	-82.9	164.8	-176.1	179.5	0	113.5	D546	K290-D546 WeakPolarHBondContact CA-OD1 3.21Å; K290-D546 WeakPolarHBondContact CA-OD2 3.13Å; K290-D546 PolarHBondContact N-OD1 3.19Å
291	G	19.9	Very low	20.9	Very low	44 Å²	44	94.1 Å²	94.1	45%	0.454	56%	0.563	S	S	.	*			cis	171.9	168	-14	0	0	0	0	0	114.6	D546	G291-D546 VanDerWaalsContact CA-CG 3.47Å; G291-D546 WeakPolarHBondContact CA-OD2 3.01Å
292	S	20.4	Very low	20.9	Very low	69 Å²	69	90.3 Å²	90.3	48%	0.483	54%	0.536	S	S	.	.			trans	56.2	87.9	165.5	52.5	0	0	0	0	120	Q1285	S292-Q1285 PolarHBondContact O-NE2 3.31Å
293	G	21.9	Very low	20.8	Very low	40 Å²	40	86.6 Å²	86.6	41%	0.412	52%	0.515	S	S	.	.				48.1	174.1	120.8	0	0	0	0	0	125.3	Q1285	G293-Q1285 PolarHBondContact O-NE2 2.95Å
294	F	19.2	Very low	20.8	Very low	68 Å²	68	82.1 Å²	82.1	30%	0.298	49%	0.493	S	S	.	.			trans	80.3	115.9	169	-63.9	-72.3	0	0	0	115.6	N540 L541 T543 G1284	F294-N540 VanDerWaalsContact CE1-O 3.23Å; F294-N540 WeakPolarHBondContact CE1-O 3.43Å; F294-L541 VanDerWaalsContact CE2-C 3.48Å; F294-L541 WeakPolarHBondContact CZ-O 3.45Å; F294-T543 HydrophobicContact CD2-CG2 3.99Å; F294-T543 HydrophobicContact CE2-CG2 3.66Å; F294-G1284 CarbonylContact C-O 3.41Å; F294-G1284 CarbonylContact O-C 3.57Å; F294-G1284 WeakPolarHBondContact O-CA 3.32Å
295	D	21.8	Very low	20.8	Very low	113 Å²	113	79 Å²	79	60%	0.604	47%	0.468	S	S	*	.			cis	67.2	132.1	26	-50.3	-66.3	0	0	0	114
296	M	22.3	Very low	20.9	Very low	153 Å²	153	75.2 Å²	75.2	75%	0.754	44%	0.442	S	S	*	.			cis	-142.4	159.6	25.2	-136.1	-176.4	53.9	0	0	114.7
297	I	21.7	Very low	21	Very low	130 Å²	130	76 Å²	76	67%	0.667	45%	0.45	S	S	*	.			trans	-1.8	121.4	138.6	-64.1	169.3	0	0	0	114.5
298	D	20.1	Very low	21.3	Very low	136 Å²	136	76.1 Å²	76.1	73%	0.727	46%	0.459	S	S	*	.				67.3	152.4	77.6	-155.5	61.5	0	0	0	112.6
299	P	24.7	Very low	21.5	Very low	85 Å²	85	78.5 Å²	78.5	55%	0.552	47%	0.468	S	S	*	.				-132	160.4	-61.8	38.8	-25.3	0	0	0	113.9
300	S	19	Very low	21.9	Very low	56 Å²	56	80.2 Å²	80.2	39%	0.392	48%	0.479	S	S	.	.			trans	42.7	128.3	148.7	71.9	0	0	0	0	122.1	E454	S300-E454 WeakPolarHBondContact CA-OE2 3.39Å; S300-E454 VanDerWaalsContact CB-OE2 3.25Å; S300-E454 WeakPolarHBondContact CB-OE2 3.1Å
301	S	22.3	Very low	22.3	Very low	51 Å²	51	74.6 Å²	74.6	36%	0.357	46%	0.456	S	S	.	.			trans	74.8	112	151.1	69	0	0	0	0	121.1	K781	S301-K781 PolarHBondContact O-NZ 3.22Å; S301-K781 VanDerWaalsContact O-NZ 3.13Å
302	F	20.4	Very low	22.4	Very low	42 Å²	42	78.6 Å²	78.6	18%	0.184	46%	0.463	C	S	.	.			trans	-135	-149.3	133.2	-125.7	-71.4	0	0	0	113.5	H470 L779 G780 K781	F302-H470 PolarHBondContact O-CE1 2.94Å; F302-H470 PolarHBondContact O-ND1 2.85Å; F302-H470 VanDerWaalsContact O-ND1 3.17Å; F302-L779 HydrophobicContact CB-CB 3.94Å; F302-L779 HydrophobicContact CB-CD2 3.81Å; F302-L779 HydrophobicContact CB-CG 3.53Å; F302-L779 HydrophobicContact CD1-CB 4.27Å; F302-L779 HydrophobicContact CD2-CB 3.75Å; F302-L779 HydrophobicContact CD2-CD2 3.88Å; F302-L779 HydrophobicContact CD2-CG 4.05Å; F302-L779 HydrophobicContact CE2-CB 4.4Å; F302-L779 HydrophobicContact CG-CB 3.68Å; F302-L779 HydrophobicContact CG-CD2 4.13Å; F302-L779 HydrophobicContact CG-CG 3.87Å; F302-G780 VanDerWaalsContact CD1-N 3.3Å; F302-G780 VanDerWaalsContact CE1-CA 3.48Å; F302-G780 VanDerWaalsContact CZ-CA 3.42Å; F302-K781 HydrophobicContact CD2-CD 4.27Å; F302-K781 HydrophobicContact CE2-CB 3.74Å; F302-K781 HydrophobicContact CE2-CD 3.47Å; F302-K781 VanDerWaalsContact CE2-CD 3.47Å; F302-K781 HydrophobicContact CE2-CG 3.41Å; F302-K781 VanDerWaalsContact CE2-CG 3.41Å; F302-K781 HydrophobicContact CZ-CB 4.18Å; F302-K781 HydrophobicContact CZ-CD 4.32Å; F302-K781 HydrophobicContact CZ-CG 3.83Å
303	A	20.2	Very low	22.6	Very low	15 Å²	15	80 Å²	80	12%	0.124	47%	0.465	C	S	.	.			trans	-123	-154.5	-142	0	0	0	0	0	116.3	Q469 H470 F534	A303-Q469 WeakPolarHBondContact CB-O 3.41Å; A303-H470 VanDerWaalsContact C-CB 3.49Å; A303-H470 VanDerWaalsContact CA-ND1 3.25Å; A303-H470 WeakPolarHBondContact CA-ND1 3.37Å; A303-H470 PolarHBondContact O-ND1 3.17Å; A303-F534 WeakPolarHBondContact O-CD2 3.43Å
304	G	21.6	Very low	22.5	Very low	5 Å²	5	83.4 Å²	83.4	5%	0.052	48%	0.478	C	S	.	.			trans	98.5	75.5	171	0	0	0	0	0	122.1	L451 H470 K533	G304-L451 WeakPolarHBondContact O-CD1 3.05Å; G304-L451 WeakPolarHBondContact O-CD2 3.29Å; G304-H470 CarbonylContact C-O 3.59Å; G304-H470 WeakPolarHBondContact CA-O 3.21Å; G304-H470 VanDerWaalsContact N-C 3.34Å; G304-H470 VanDerWaalsContact N-CB 3.29Å; G304-H470 PolarHBondContact N-O 2.9Å; G304-K533 PolarHBondContact O-N 2.7Å; G304-K533 VanDerWaalsContact O-N 3.08Å
305	I	21.1	Very low	22.5	Very low	33 Å²	33	88 Å²	88	17%	0.169	50%	0.5	C	S	.	.			trans	-124.7	151.4	152.8	16.4	135.3	0	0	0	111.5	L451 V467 H470 E471 S531 D532	I305-L451 HydrophobicContact CB-CD1 4.11Å; I305-L451 HydrophobicContact CG1-CD1 4.13Å; I305-L451 HydrophobicContact CG2-CD1 3.75Å; I305-V467 HydrophobicContact CD1-CB 4.18Å; I305-V467 HydrophobicContact CD1-CG1 3.12Å; I305-V467 VanDerWaalsContact CD1-O 3.24Å; I305-V467 WeakPolarHBondContact CD1-O 3.39Å; I305-V467 HydrophobicContact CG1-CG1 3.75Å; I305-V467 WeakPolarHBondContact CG1-O 3.2Å; I305-H470 HydrophobicContact CG1-CB 3.74Å; I305-H470 PolarHBondContact N-O 2.77Å; I305-H470 VanDerWaalsContact N-O 3.13Å; I305-E471 HydrophobicContact CD1-CB 3.48Å; I305-E471 VanDerWaalsContact CD1-CB 3.48Å; I305-E471 VanDerWaalsContact CD1-CD 3.48Å; I305-E471 HydrophobicContact CD1-CG 3.83Å; I305-E471 WeakPolarHBondContact CD1-OE1 3.4Å; I305-E471 HydrophobicContact CG1-CB 3.97Å; I305-E471 VanDerWaalsContact O-CA 3.28Å; I305-E471 WeakPolarHBondContact O-CA 3.25Å; I305-S531 CarbonylContact O-C 3.6Å; I305-S531 WeakPolarHBondContact O-CA 3.36Å; I305-S531 PolarHBondContact O-N 3.46Å; I305-D532 WeakPolarHBondContact CA-OD1 3.23Å; I305-D532 PolarHBondContact O-N 2.82Å
306	S	22.2	Very low	22.4	Very low	14 Å²	14	89.3 Å²	89.3	10%	0.098	51%	0.512	C	S	.	.				175.1	-178.8	117	90	0	0	0	0	114.1	E471 A530 S531 D532	S306-E471 WeakPolarHBondContact CB-OE1 3.4Å; S306-A530 VanDerWaalsContact OG-CA 3.23Å; S306-A530 WeakPolarHBondContact OG-CA 3.33Å; S306-S531 WeakPolarHBondContact OG-CA 3.1Å; S306-S531 PolarHBondContact OG-N 3.14Å; S306-S531 PolarHBondContact OG-OG 2.92Å; S306-D532 PolarHBondContact N-OD1 2.87Å
307	S	23.2	Very low	22.4	Very low	102 Å²	102	85.5 Å²	85.5	71%	0.713	51%	0.512	S	S	*	.			trans	82.8	158.4	165.7	81	0	0	0	0	114.4
308	A	25.4	Very low	22.3	Very low	87 Å²	87	86.4 Å²	86.4	72%	0.719	52%	0.519	S	S	*	.			cis	-143.9	-168.9	8.5	0	0	0	0	0	112.6
309	D	24.5	Very low	22.3	Very low	159 Å²	159	87.2 Å²	87.2	85%	0.85	52%	0.52	S	S	*	.			trans	-72.4	177.6	174.9	-49.4	-94.3	0	0	0	114.2
310	C	28.9	Very low	22.2	Very low	91 Å²	91	90.4 Å²	90.4	62%	0.615	53%	0.532	S	S	*	.				165.9	168.4	112.8	-150.5	0	0	0	0	116.3	C937	C310-C937 WeakPolarHBondContact O-CB 3.41Å
311	M	28.5	Very low	23.4	Very low	73 Å²	73	93.1 Å²	93.1	36%	0.36	55%	0.549	S	S	.	.			trans	82.5	169.4	149.9	-58.2	-141	91.9	0	0	123.6	F934 F935 H936	M311-F934 WeakPolarHBondContact CB-O 3.38Å; M311-F934 HydrophobicContact CE-CB 3.56Å; M311-F934 WeakPolarHBondContact CE-O 3.49Å; M311-F934 HydrophobicContact SD-CB 3.33Å; M311-F934 WeakPolarHBondContact SD-CB 3.19Å; M311-F934 HydrophobicContact SD-CG 4.47Å; M311-F935 CarbonylContact C-O 3.13Å; M311-F935 WeakPolarHBondContact CB-O 3.01Å; M311-H936 PolarHBondContact O-ND1 2.97Å
312	Q	21.7	Very low	23.4	Very low	128 Å²	128	98.8 Å²	98.8	60%	0.598	58%	0.575	S	S	*	*			trans	-137.9	168.7	-149.8	-67.5	174.1	-84.7	0	0	117.5	F934 F935 H936	Q312-F934 PolarHBondContact N-O 3.48Å; Q312-F934 CarbonylContact O-C 3.47Å; Q312-F934 VanDerWaalsContact O-O 3.12Å; Q312-F935 PolarHBondContact N-O 3.29Å; Q312-F935 CarbonylContact O-C 3.55Å; Q312-F935 WeakPolarHBondContact O-CA 3.39Å; Q312-F935 PolarHBondContact O-N 2.67Å; Q312-H936 VanDerWaalsContact C-N 3.33Å; Q312-H936 VanDerWaalsContact CA-ND1 3.32Å; Q312-H936 WeakPolarHBondContact CA-ND1 2.91Å; Q312-H936 PolarHBondContact O-N 3.18Å
313	L	23.2	Very low	23.5	Very low	99 Å²	99	102.4 Å²	102.4	52%	0.518	60%	0.604	S	S	.	*			trans	125.2	164.3	152.6	-63.9	167	0	0	0	118	K933 H936	L313-K933 HydrophobicContact CD1-CG 4.23Å; L313-H936 PolarHBondContact N-CD2 3.4Å; L313-H936 VanDerWaalsContact N-CD2 3.3Å; L313-H936 PolarHBondContact O-CD2 2.84Å
314	T	20.6	Very low	23.7	Very low	112 Å²	112	106.5 Å²	106.5	69%	0.687	63%	0.632	S	S	*	*			trans	-131.7	170.7	-145.5	46.5	0	0	0	0	117.8
315	E	19	Very low	23.6	Very low	164 Å²	164	110.9 Å²	110.9	77%	0.766	66%	0.662	S	S	*	*			trans	86.8	111.8	148.9	-80.2	155.1	-163.5	0	0	124.5
316	T	20.6	Very low	23.7	Very low	140 Å²	140	118.6 Å²	118.6	86%	0.859	69%	0.694	S	S	*	*			trans	55.9	134.5	135.3	59.1	0	0	0	0	124.8
317	G	21.9	Very low	23.6	Very low	73 Å²	73	121.4 Å²	121.4	75%	0.753	72%	0.719	S	S	*	*			trans	150.9	69.2	150.4	0	0	0	0	0	121.9
318	D	19.1	Very low	23.6	Very low	150 Å²	150	123.8 Å²	123.8	80%	0.802	72%	0.723	S	S	*	*			trans	47	128.3	139.4	-72.9	-21.9	0	0	0	127.2
319	M	21	Very low	23.5	Very low	153 Å²	153	126.2 Å²	126.2	75%	0.754	73%	0.729	S	S	*	*			trans	82.4	105	143.1	-59	-61.1	159.9	0	0	125
320	D	22.2	Very low	23.4	Very low	151 Å²	151	123.4 Å²	123.4	81%	0.807	72%	0.722	S	S	*	*				64.6	156.2	121.5	-83.2	19.1	0	0	0	125.4
321	P	44.7	Very low	23.1	Very low	114 Å²	114	124.3 Å²	124.3	74%	0.74	73%	0.729	S	S	*	*			trans	-121.7	146.3	-142.2	40.6	-29.7	0	0	0	117.9
322	N	21.4	Very low	22.8	Very low	170 Å²	170	129.3 Å²	129.3	91%	0.909	76%	0.756	S	S	*	*			trans	-158.6	169	132.7	-146.4	-21.5	0	0	0	111.9
323	C	23.3	Very low	23	Very low	118 Å²	118	131.4 Å²	131.4	80%	0.797	77%	0.768	S	S	*	*			trans	-109.4	120	-172.6	175.7	0	0	0	0	113.9
324	S	23	Very low	23	Very low	101 Å²	101	135.6 Å²	135.6	71%	0.706	79%	0.787	S	S	*	*			trans	-155.8	106.6	164.1	60.1	0	0	0	0	108
325	S	21.1	Very low	23.3	Very low	97 Å²	97	133.6 Å²	133.6	68%	0.678	79%	0.79	S	S	*	*				82.3	163.8	90.2	77.6	0	0	0	0	114
326	F	21.8	Very low	23.8	Very low	194 Å²	194	130 Å²	130	85%	0.851	78%	0.782	S	S	*	*			trans	66	103.4	180	-72	-82.6	0	0	0	120.3
327	A	21.6	Very low	24	Very low	74 Å²	74	125.2 Å²	125.2	61%	0.612	75%	0.75	S	S	*	*			trans	-2.7	137	135.9	0	0	0	0	0	117.7
328	N	22.2	Very low	24.3	Very low	151 Å²	151	126.5 Å²	126.5	81%	0.807	75%	0.747	S	S	*	*				-169.5	177.9	78	-97.8	-47.6	0	0	0	114.1
329	V	22.4	Very low	24.8	Very low	139 Å²	139	125 Å²	125	84%	0.842	74%	0.736	S	S	*	*			trans	73	120.7	167	-163.5	0	0	0	0	116.7
330	S	23.4	Very low	25.3	Very low	99 Å²	99	124.4 Å²	124.4	69%	0.692	73%	0.725	S	S	*	*			trans	-75.6	157.2	170.8	-50.2	0	0	0	0	112.4
331	S	22.6	Very low	25.4	Very low	111 Å²	111	122 Å²	122	78%	0.776	71%	0.71	S	S	*	*			trans	72.1	87.7	157.7	-51.6	0	0	0	0	117.7
332	L	23.3	Very low	24.5	Very low	177 Å²	177	124.7 Å²	124.7	93%	0.927	71%	0.711	S	S	*	*				-149.4	174.8	112.7	-133.4	68.3	0	0	0	111.3
333	M	24	Very low	24.9	Very low	173 Å²	173	119.7 Å²	119.7	85%	0.852	69%	0.689	S	S	*	*			trans	-101.6	173.7	-159.7	-66.6	-75.8	-154.8	0	0	114.6
334	M	23.4	Very low	25.1	Very low	186 Å²	186	116 Å²	116	92%	0.916	67%	0.67	S	S	*	*			trans	95.2	140.5	157.4	-57.6	-63.6	-74.2	0	0	119.4
335	G	26.8	Very low	25.3	Very low	71 Å²	71	116.8 Å²	116.8	73%	0.732	67%	0.666	S	S	*	*			trans	99.1	135.5	161.4	0	0	0	0	0	115.3
336	S	29.7	Very low	25.7	Very low	88 Å²	88	117.2 Å²	117.2	62%	0.615	66%	0.66	S	S	*	*			trans	-139	-158.4	176.9	49.9	0	0	0	0	112.2
337	E	25.5	Very low	26.1	Very low	40 Å²	40	116.5 Å²	116.5	19%	0.187	65%	0.653	C	S	.	*			trans	84.1	9.4	153.4	-50.3	126.5	106.7	0	0	121.3	Q339 P938 V939	E337-Q339 PolarHBondContact O-N 3.37Å; E337-P938 HydrophobicContact CB-CB 3.82Å; E337-P938 HydrophobicContact CB-CG 4.18Å; E337-P938 WeakPolarHBondContact CB-O 3.04Å; E337-P938 WeakPolarHBondContact OE1-CD 3.21Å; E337-P938 WeakPolarHBondContact OE2-CG 3.34Å; E337-V939 VanDerWaalsContact CB-N 3.32Å; E337-V939 HydrophobicContact CG-CB 3.98Å; E337-V939 HydrophobicContact CG-CG2 3.47Å; E337-V939 VanDerWaalsContact CG-CG2 3.47Å; E337-V939 VanDerWaalsContact CG-N 3.34Å; E337-V939 WeakPolarHBondContact OE1-CA 3.5Å; E337-V939 WeakPolarHBondContact OE1-CB 3.41Å; E337-V939 WeakPolarHBondContact OE1-CG2 3.17Å; E337-V939 PolarHBondContact OE1-N 3.39Å
338	S	29.1	Very low	26.4	Very low	99 Å²	99	115.3 Å²	115.3	69%	0.692	64%	0.644	S	S	*	*	H	α-helix	trans	-59.2	-26.5	158.6	57.5	0	0	0	0	112.5	R340	S338-R340 PolarHBondContact O-N 2.82Å
339	Q	29.3	Very low	26.6	Very low	120 Å²	120	110.5 Å²	110.5	56%	0.561	63%	0.625	S	S	*	*	H	α-helix	trans	-75.6	-10.8	-173.7	-64.5	-175.6	-9.9	0	0	115.8	E337	E337-Q339 PolarHBondContact O-N 3.37Å
340	R	31.5	Very low	27.1	Very low	140 Å²	140	106.6 Å²	106.6	53%	0.528	60%	0.599	S	S	.	*	H	α-helix	trans	-92.4	-24.3	179	-67.8	-169.4	-175.5	177.5	6.9	114	S338 F342 S343 G344 V939 T941	S338-R340 PolarHBondContact O-N 2.82Å; R340-F342 VanDerWaalsContact C-N 3.26Å; R340-F342 PolarHBondContact O-N 3.46Å; R340-S343 PolarHBondContact O-N 3.42Å; R340-S343 PolarHBondContact O-OG 3.36Å; R340-S343 VanDerWaalsContact O-OG 3.12Å; R340-G344 PolarHBondContact O-N 3.46Å; R340-V939 VanDerWaalsContact NH1-CG2 3.25Å; R340-T941 HydrophobicContact CB-CG2 4.33Å
341	M	24.6	Very low	27.4	Very low	101 Å²	101	106 Å²	106	50%	0.498	60%	0.6	S	S	.	*	H	α-helix	trans	-55.9	-42.3	172.6	-83	-63	-156.4	0	0	112	S343 G344 L345 T941	M341-S343 VanDerWaalsContact C-N 3.31Å; M341-S343 PolarHBondContact O-N 2.92Å; M341-G344 PolarHBondContact O-N 3.06Å; M341-L345 WeakPolarHBondContact O-CB 3.48Å; M341-L345 PolarHBondContact O-N 3.23Å; M341-T941 HydrophobicContact CE-CG2 4.28Å; M341-T941 HydrophobicContact CG-CG2 3.71Å; M341-T941 HydrophobicContact SD-CG2 3.7Å
342	F	23.9	Very low	27.6	Very low	170 Å²	170	105.6 Å²	105.6	75%	0.746	60%	0.597	S	S	*	*	H	α-helix	trans	-65.6	-26.8	-177.8	-99.8	-83.6	0	0	0	114.2	R340 L346	R340-F342 VanDerWaalsContact C-N 3.26Å; R340-F342 PolarHBondContact O-N 3.46Å; F342-L346 WeakPolarHBondContact O-CB 3.32Å; F342-L346 PolarHBondContact O-N 2.79Å
343	S	31.5	Very low	27.8	Very low	64 Å²	64	102.2 Å²	102.2	45%	0.448	58%	0.579	S	S	.	*	H	α-helix	trans	-80.9	-42.4	172.7	68.5	0	0	0	0	111.5	R340 M341 L346 Y347	R340-S343 PolarHBondContact O-N 3.42Å; R340-S343 PolarHBondContact O-OG 3.36Å; R340-S343 VanDerWaalsContact O-OG 3.12Å; M341-S343 VanDerWaalsContact C-N 3.31Å; M341-S343 PolarHBondContact O-N 2.92Å; S343-L346 PolarHBondContact O-N 2.78Å; S343-Y347 WeakPolarHBondContact O-CB 3.38Å; S343-Y347 WeakPolarHBondContact O-CD2 3.34Å; S343-Y347 PolarHBondContact O-N 2.05Å
344	G	26.2	Very low	27.9	Very low	40 Å²	40	101.8 Å²	101.8	41%	0.412	58%	0.58	S	S	.	*	H	α-helix	trans	-61	-47.8	178.6	0	0	0	0	0	113.4	R340 M341 Y347 A348	R340-G344 PolarHBondContact O-N 3.46Å; M341-G344 PolarHBondContact O-N 3.06Å; G344-Y347 PolarHBondContact O-N 3.27Å; G344-A348 PolarHBondContact O-N 2.8Å
345	L	28.2	Very low	28.6	Very low	119 Å²	119	95.4 Å²	95.4	62%	0.623	55%	0.55	S	S	*	.	H	α-helix	trans	-72.5	-34	179	-71	168.3	0	0	0	112.6	M341 A348 A349	M341-L345 WeakPolarHBondContact O-CB 3.48Å; M341-L345 PolarHBondContact O-N 3.23Å; L345-A348 PolarHBondContact O-N 3.36Å; L345-A349 WeakPolarHBondContact O-CB 3.39Å; L345-A349 PolarHBondContact O-N 3.26Å
346	L	29.9	Very low	29	Very low	105 Å²	105	99.3 Å²	99.3	55%	0.55	55%	0.554	S	S	.	*	H	α-helix	trans	-67.1	-37.9	172.2	-174.2	64.5	0	0	0	111.5	F342 S343 A348 A349 L350	F342-L346 WeakPolarHBondContact O-CB 3.32Å; F342-L346 PolarHBondContact O-N 2.79Å; S343-L346 PolarHBondContact O-N 2.78Å; L346-A348 VanDerWaalsContact C-N 3.34Å; L346-A349 PolarHBondContact O-N 3.26Å; L346-L350 HydrophobicContact CD1-CD1 4.42Å; L346-L350 HydrophobicContact CD1-CG 4.44Å; L346-L350 HydrophobicContact CG-CD1 3.98Å; L346-L350 HydrophobicContact CG-CG 4.44Å; L346-L350 VanDerWaalsContact O-CB 3.27Å; L346-L350 WeakPolarHBondContact O-CB 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.47Å; L346-L350 PolarHBondContact O-N 3.4Å
347	Y	28.7	Very low	29.4	Very low	180 Å²	180	100.1 Å²	100.1	71%	0.706	55%	0.552	S	S	*	*	H	α-helix	trans	-65.3	-34.8	171.5	-95	-75.3	0	0	0	112.6	S343 G344 A351	S343-Y347 WeakPolarHBondContact O-CB 3.38Å; S343-Y347 WeakPolarHBondContact O-CD2 3.34Å; S343-Y347 PolarHBondContact O-N 2.05Å; G344-Y347 PolarHBondContact O-N 3.27Å; Y347-A351 WeakPolarHBondContact O-CB 3.48Å; Y347-A351 PolarHBondContact O-N 3.36Å
348	A	27.6	Very low	30.2	Very low	49 Å²	49	100.6 Å²	100.6	41%	0.405	56%	0.555	S	S	.	*	H	α-helix	trans	-68.9	-41.5	174.2	0	0	0	0	0	112.5	G344 L345 L346 A351 S352	G344-A348 PolarHBondContact O-N 2.8Å; L345-A348 PolarHBondContact O-N 3.36Å; L346-A348 VanDerWaalsContact C-N 3.34Å; A348-A351 PolarHBondContact O-N 3.48Å; A348-S352 PolarHBondContact O-N 3.44Å; A348-S352 PolarHBondContact O-OG 3.39Å
349	A	27.8	Very low	30.9	Very low	50 Å²	50	102.2 Å²	102.2	41%	0.413	55%	0.549	S	S	.	.	H	α-helix	trans	-64.2	-44.8	174.1	0	0	0	0	0	111.8	L345 L346 A351 S352	L345-A349 WeakPolarHBondContact O-CB 3.39Å; L345-A349 PolarHBondContact O-N 3.26Å; L346-A349 PolarHBondContact O-N 3.26Å; A349-A351 VanDerWaalsContact C-N 3.34Å; A349-A351 PolarHBondContact O-N 2.91Å; A349-S352 CarbonylContact O-C 3.56Å; A349-S352 WeakPolarHBondContact O-CA 3.36Å; A349-S352 WeakPolarHBondContact O-CB 3.22Å; A349-S352 PolarHBondContact O-N 3.06Å
350	L	31.5	Very low	31.7	Very low	56 Å²	56	97.4 Å²	97.4	29%	0.293	53%	0.529	S	S	.	.	H	α-helix	trans	-65.5	-34	175.1	-72.3	171.1	0	0	0	112.5	L346 S352 L353 L355	L346-L350 HydrophobicContact CD1-CD1 4.42Å; L346-L350 HydrophobicContact CD1-CG 4.44Å; L346-L350 HydrophobicContact CG-CD1 3.98Å; L346-L350 HydrophobicContact CG-CG 4.44Å; L346-L350 VanDerWaalsContact O-CB 3.27Å; L346-L350 WeakPolarHBondContact O-CB 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.47Å; L346-L350 PolarHBondContact O-N 3.4Å; L350-S352 PolarHBondContact O-N 3.5Å; L350-L353 HydrophobicContact CD2-CD1 4.47Å; L350-L353 PolarHBondContact O-N 3.37Å; L350-L355 HydrophobicContact CB-CD1 3.93Å; L350-L355 HydrophobicContact CD2-CD1 3.95Å; L350-L355 HydrophobicContact CD2-CD2 4.02Å; L350-L355 WeakPolarHBondContact O-CD1 3.43Å
351	A	30	Very low	32.3	Very low	87 Å²	87	94.7 Å²	94.7	72%	0.719	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-5.8	171.7	0	0	0	0	0	113.9	Y347 A348 A349	Y347-A351 WeakPolarHBondContact O-CB 3.48Å; Y347-A351 PolarHBondContact O-N 3.36Å; A348-A351 PolarHBondContact O-N 3.48Å; A349-A351 VanDerWaalsContact C-N 3.34Å; A349-A351 PolarHBondContact O-N 2.91Å
352	S	28.2	Very low	33.5	Very low	102 Å²	102	98.7 Å²	98.7	71%	0.713	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	14.7	178.1	-51.1	0	0	0	0	112.6	A348 A349 L350	A348-S352 PolarHBondContact O-N 3.44Å; A348-S352 PolarHBondContact O-OG 3.39Å; A349-S352 CarbonylContact O-C 3.56Å; A349-S352 WeakPolarHBondContact O-CA 3.36Å; A349-S352 WeakPolarHBondContact O-CB 3.22Å; A349-S352 PolarHBondContact O-N 3.06Å; L350-S352 PolarHBondContact O-N 3.5Å
353	L	27.8	Very low	34.7	Very low	106 Å²	106	92.9 Å²	92.9	56%	0.555	54%	0.536	S	S	*	.	S	Bend	trans	-124.5	139.3	180	-76.6	162.4	0	0	0	109.9	L350 L355	L350-L353 HydrophobicContact CD2-CD1 4.47Å; L350-L353 PolarHBondContact O-N 3.37Å; L353-L355 VanDerWaalsContact C-N 3.32Å; L353-L355 HydrophobicContact CB-CD2 3.97Å; L353-L355 HydrophobicContact CB-CG 4.01Å; L353-L355 WeakPolarHBondContact O-CG 3.46Å; L353-L355 PolarHBondContact O-N 2.83Å
354	D	26	Very low	35.2	Very low	164 Å²	164	94 Å²	94	88%	0.877	54%	0.544	S	S	*	.			trans	-75	83	173.3	-70.1	-49.3	0	0	0	110.4	D356	D354-D356 PolarHBondContact O-N 3.24Å
355	L	37.8	Very low	36	Very low	52 Å²	52	96.8 Å²	96.8	27%	0.272	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-78.2	32.4	-168.6	-69.9	175.2	0	0	0	115.9	L350 L353 N357 L358 N369	L350-L355 HydrophobicContact CB-CD1 3.93Å; L350-L355 HydrophobicContact CD2-CD1 3.95Å; L350-L355 HydrophobicContact CD2-CD2 4.02Å; L350-L355 WeakPolarHBondContact O-CD1 3.43Å; L353-L355 VanDerWaalsContact C-N 3.32Å; L353-L355 HydrophobicContact CB-CD2 3.97Å; L353-L355 HydrophobicContact CB-CG 4.01Å; L353-L355 WeakPolarHBondContact O-CG 3.46Å; L353-L355 PolarHBondContact O-N 2.83Å; L355-N357 PolarHBondContact O-N 3.03Å; L355-L358 HydrophobicContact CB-CD1 4.35Å; L355-L358 HydrophobicContact CB-CG 4.42Å; L355-L358 HydrophobicContact CD2-CD2 4.08Å; L355-L358 HydrophobicContact CD2-CG 4.01Å; L355-N369 PolarHBondContact O-ND2 3.49Å
356	D	33.9	Very low	37.3	Very low	154 Å²	154	97.6 Å²	97.6	82%	0.824	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-68.2	-13.2	166.8	-79	-19.4	0	0	0	112.3	D354	D354-D356 PolarHBondContact O-N 3.24Å
357	N	38	Very low	38.6	Very low	105 Å²	105	93.5 Å²	93.5	56%	0.561	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-125.8	53.9	-173.5	-70.8	-81.2	0	0	0	113.8	L355 K359	L355-N357 PolarHBondContact O-N 3.03Å; N357-K359 PolarHBondContact O-N 3.09Å
358	L	43.5	Very low	39.6	Very low	49 Å²	49	88.6 Å²	88.6	26%	0.257	52%	0.524	S	S	.	.			trans	-68.8	90.2	177.4	-95.3	162.7	0	0	0	113.1	L355 M366 V367 N369	L355-L358 HydrophobicContact CB-CD1 4.35Å; L355-L358 HydrophobicContact CB-CG 4.42Å; L355-L358 HydrophobicContact CD2-CD2 4.08Å; L355-L358 HydrophobicContact CD2-CG 4.01Å; L358-M366 WeakPolarHBondContact O-CA 3.44Å; L358-V367 PolarHBondContact O-N 3.05Å; L358-N369 HydrophobicContact CD1-CB 4.5Å; L358-N369 WeakPolarHBondContact CD1-OD1 3.25Å
359	K	43.2	Very low	40.5	Very low	133 Å²	133	91.1 Å²	91.1	58%	0.578	53%	0.531	S	S	*	.	B	Isolated β-bridge	trans	-84.4	144.1	169.9	-63.1	-178.1	-178.2	179	0	111.6	N357 E365 M366	N357-K359 PolarHBondContact O-N 3.09Å; K359-E365 WeakPolarHBondContact CA-O 3.33Å; K359-M366 HydrophobicContact CG-CG 4.36Å
360	C	46.9	Very low	41.3	Very low	19 Å²	19	95.9 Å²	95.9	13%	0.128	54%	0.542	C	S	.	.			trans	-83.2	132.2	168.9	-176.9	0	0	0	0	112	Y362 C363 S364 E365 V367 H377	C360-Y362 PolarHBondContact O-N 3.34Å; C360-C363 PolarHBondContact O-N 3.46Å; C360-S364 VanDerWaalsContact O-CA 3.23Å; C360-S364 WeakPolarHBondContact O-CA 3.43Å; C360-S364 PolarHBondContact O-N 2.91Å; C360-E365 PolarHBondContact N-O 3.21Å; C360-V367 HydrophobicContact CB-CG2 4.19Å; C360-H377 WeakPolarHBondContact CB-NE2 3.21Å; C360-H377 VanDerWaalsContact SG-CD2 3.51Å; C360-H377 PolarHBondContact SG-NE2 2.86Å
361	G	43.8	Very low	41.6	Very low	84 Å²	84	97.6 Å²	97.6	87%	0.866	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-21.6	177.6	0	0	0	0	0	115.8
362	Y	48.8	Very low	42	Very low	184 Å²	184	98.8 Å²	98.8	72%	0.722	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-12.4	-176	-69.2	-75.3	0	0	0	115.1	C360 H381	C360-Y362 PolarHBondContact O-N 3.34Å; Y362-H381 VanDerWaalsContact CB-CG 3.45Å; Y362-H381 HydrophobicContact CD2-CB 4.41Å; Y362-H381 HydrophobicContact CG-CB 4.18Å
363	C	49.6	Very low	43.3	Very low	48 Å²	48	95.1 Å²	95.1	32%	0.324	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.4	7.2	173.8	66.9	0	0	0	0	115.3	C360 E365 H377 H381	C360-C363 PolarHBondContact O-N 3.46Å; C363-E365 PolarHBondContact O-N 3.32Å; C363-H377 PolarHBondContact SG-CE1 2.78Å; C363-H377 PolarHBondContact SG-NE2 2.91Å; C363-H381 PolarHBondContact SG-CE1 3.2Å
364	S	42.6	Very low	44.5	Very low	89 Å²	89	93.4 Å²	93.4	62%	0.622	52%	0.517	S	S	*	.			trans	61	-7.4	-179.9	73.6	0	0	0	0	117.8	C360	C360-S364 VanDerWaalsContact O-CA 3.23Å; C360-S364 WeakPolarHBondContact O-CA 3.43Å; C360-S364 PolarHBondContact O-N 2.91Å
365	E	42.3	Very low	45.5	Very low	98 Å²	98	88.7 Å²	88.7	46%	0.458	49%	0.492	S	S	.	.			trans	-54.5	142.8	172.6	-66.2	-172.2	142.6	0	0	111.7	K359 C360 C363 H377 R380	K359-E365 WeakPolarHBondContact CA-O 3.33Å; C360-E365 PolarHBondContact N-O 3.21Å; C363-E365 PolarHBondContact O-N 3.32Å; E365-H377 IonicContact OE2-CE1 2.6Å; E365-H377 PolarHBondContact OE2-CE1 2.91Å; E365-H377 VanDerWaalsContact OE2-CE1 3.24Å; E365-H377 IonicContact OE2-ND1 2.76Å; E365-R380 IonicContact OE2-NH1 2.69Å; E365-R380 PolarHBondContact OE2-NH1 3.36Å
366	M	56.4	Low	46.1	Very low	135 Å²	135	94.5 Å²	94.5	67%	0.665	51%	0.51	S	S	*	.	B	Isolated β-bridge	trans	-76.9	127.5	171.7	-63.4	173.9	-179.4	0	0	110.2	L358 K359	L358-M366 WeakPolarHBondContact O-CA 3.44Å; K359-M366 HydrophobicContact CG-CG 4.36Å
367	V	56.2	Low	47.1	Very low	20 Å²	20	87.8 Å²	87.8	12%	0.121	47%	0.474	C	S	.	.			trans	-119.8	107.6	-175.9	-170.5	0	0	0	0	110.2	L358 C360 A373 I374 H377	L358-V367 PolarHBondContact O-N 3.05Å; C360-V367 HydrophobicContact CB-CG2 4.19Å; V367-A373 HydrophobicContact CG1-CB 4.32Å; V367-I374 HydrophobicContact CG1-CG1 3.95Å; V367-H377 HydrophobicContact CG1-CB 4.08Å; V367-H377 HydrophobicContact CG2-CB 4.3Å; V367-H377 WeakPolarHBondContact CG2-ND1 3.29Å
368	A	49.2	Very low	47.6	Very low	76 Å²	76	85.4 Å²	85.4	63%	0.628	46%	0.463	S	S	*	.			trans	-55.6	141.7	-176.9	0	0	0	0	0	113.3	K370	A368-K370 PolarHBondContact O-N 3.05Å
369	N	48	Very low	47.7	Very low	103 Å²	103	87.2 Å²	87.2	55%	0.551	47%	0.469	S	S	*	.	S	Bend	trans	-68.2	48	-159.2	-54	9.6	0	0	0	116.1	L355 L358	L355-N369 PolarHBondContact O-ND2 3.49Å; L358-N369 HydrophobicContact CD1-CB 4.5Å; L358-N369 WeakPolarHBondContact CD1-OD1 3.25Å
370	K	43.4	Very low	47.6	Very low	150 Å²	150	87.6 Å²	87.6	65%	0.652	47%	0.467	S	S	*	.			trans	-115.6	131.9	172.7	-67.9	-176.5	178.3	179.1	0	109.5	A368 D372 A373 I374	A368-K370 PolarHBondContact O-N 3.05Å; K370-D372 PolarHBondContact O-N 2.95Å; K370-A373 HydrophobicContact CB-CB 4.16Å; K370-A373 WeakPolarHBondContact O-CA 3.27Å; K370-A373 WeakPolarHBondContact O-CB 3.47Å; K370-A373 PolarHBondContact O-N 3.3Å; K370-I374 PolarHBondContact O-N 3.24Å
371	P	37.7	Very low	47.4	Very low	91 Å²	91	89.1 Å²	89.1	59%	0.591	47%	0.472	S	S	*	.	H	α-helix	trans	-59.7	-35.3	178.7	23.3	-32.9	0	0	0	111.9	A373 I374 L375	P371-A373 PolarHBondContact O-N 2.73Å; P371-I374 PolarHBondContact O-N 2.58Å; P371-L375 WeakPolarHBondContact O-CB 3.41Å; P371-L375 WeakPolarHBondContact O-CG 3.44Å; P371-L375 PolarHBondContact O-N 3.12Å
372	D	39.7	Very low	47.2	Very low	112 Å²	112	88.1 Å²	88.1	60%	0.599	45%	0.449	S	S	*	.	H	α-helix	trans	-64.1	-22.2	173.1	-61.4	-44.5	0	0	0	113.9	K370 R376	K370-D372 PolarHBondContact O-N 2.95Å; D372-R376 VanDerWaalsContact O-CZ 3.29Å; D372-R376 PolarHBondContact O-NE 3.2Å; D372-R376 PolarHBondContact O-NH2 3.38Å
373	A	55.5	Low	46.6	Very low	25 Å²	25	89.9 Å²	89.9	21%	0.207	45%	0.454	C	S	.	.	H	α-helix	trans	-85.4	-45.8	175.2	0	0	0	0	0	110.5	V367 K370 P371 R376 H377	V367-A373 HydrophobicContact CG1-CB 4.32Å; K370-A373 HydrophobicContact CB-CB 4.16Å; K370-A373 WeakPolarHBondContact O-CA 3.27Å; K370-A373 WeakPolarHBondContact O-CB 3.47Å; K370-A373 PolarHBondContact O-N 3.3Å; P371-A373 PolarHBondContact O-N 2.73Å; A373-R376 PolarHBondContact O-N 2.98Å; A373-H377 VanDerWaalsContact O-CB 3.27Å; A373-H377 WeakPolarHBondContact O-CB 3.27Å; A373-H377 PolarHBondContact O-N 3.19Å
374	I	52.4	Low	46.1	Very low	70 Å²	70	91 Å²	91	36%	0.359	45%	0.454	S	S	.	.	H	α-helix	trans	-61.2	-44.7	176	-61.9	171.7	0	0	0	110.7	V367 K370 P371 H377 V378	V367-I374 HydrophobicContact CG1-CG1 3.95Å; K370-I374 PolarHBondContact O-N 3.24Å; P371-I374 PolarHBondContact O-N 2.58Å; I374-H377 CarbonylContact O-C 3.6Å; I374-H377 WeakPolarHBondContact O-CB 3.4Å; I374-H377 PolarHBondContact O-N 2.76Å; I374-H377 VanDerWaalsContact O-N 3.12Å; I374-V378 HydrophobicContact CG2-CG2 4.27Å; I374-V378 WeakPolarHBondContact O-CG2 3.11Å; I374-V378 PolarHBondContact O-N 3.41Å
375	L	47.3	Very low	45.7	Very low	66 Å²	66	92.5 Å²	92.5	35%	0.346	46%	0.455	S	S	.	.	H	α-helix	trans	-60.3	-50.7	175.8	-76	168.1	0	0	0	112	P371 H377 V378 F379 I441	P371-L375 WeakPolarHBondContact O-CB 3.41Å; P371-L375 WeakPolarHBondContact O-CG 3.44Å; P371-L375 PolarHBondContact O-N 3.12Å; L375-H377 PolarHBondContact O-N 3.48Å; L375-H377 VanDerWaalsContact O-N 3.16Å; L375-V378 PolarHBondContact O-N 3.22Å; L375-F379 WeakPolarHBondContact O-CB 3.47Å; L375-F379 VanDerWaalsContact O-CD2 3.23Å; L375-F379 WeakPolarHBondContact O-CD2 3.2Å; L375-F379 PolarHBondContact O-N 3.18Å; L375-I441 HydrophobicContact CD2-CD1 4.07Å
376	R	50.2	Low	46	Very low	174 Å²	174	97.7 Å²	97.7	66%	0.657	47%	0.47	S	S	*	.	H	α-helix	trans	-64.3	-17.1	176	-80.9	179.9	-67	138.2	9.1	113.9	D372 A373	D372-R376 VanDerWaalsContact O-CZ 3.29Å; D372-R376 PolarHBondContact O-NE 3.2Å; D372-R376 PolarHBondContact O-NH2 3.38Å; A373-R376 PolarHBondContact O-N 2.98Å
377	H	55.1	Low	46.2	Very low	12 Å²	12	92.6 Å²	92.6	6%	0.056	44%	0.444	C	S	.	.	H	α-helix	trans	-86.4	-44.7	173.5	-175.1	97.1	0	0	0	111.3	C360 C363 E365 V367 A373 I374 L375 F379 R380 H381	C360-H377 WeakPolarHBondContact CB-NE2 3.21Å; C360-H377 VanDerWaalsContact SG-CD2 3.51Å; C360-H377 PolarHBondContact SG-NE2 2.86Å; C363-H377 PolarHBondContact SG-CE1 2.78Å; C363-H377 PolarHBondContact SG-NE2 2.91Å; E365-H377 IonicContact OE2-CE1 2.6Å; E365-H377 PolarHBondContact OE2-CE1 2.91Å; E365-H377 VanDerWaalsContact OE2-CE1 3.24Å; E365-H377 IonicContact OE2-ND1 2.76Å; V367-H377 HydrophobicContact CG1-CB 4.08Å; V367-H377 HydrophobicContact CG2-CB 4.3Å; V367-H377 WeakPolarHBondContact CG2-ND1 3.29Å; A373-H377 VanDerWaalsContact O-CB 3.27Å; A373-H377 WeakPolarHBondContact O-CB 3.27Å; A373-H377 PolarHBondContact O-N 3.19Å; I374-H377 CarbonylContact O-C 3.6Å; I374-H377 WeakPolarHBondContact O-CB 3.4Å; I374-H377 PolarHBondContact O-N 2.76Å; I374-H377 VanDerWaalsContact O-N 3.12Å; L375-H377 PolarHBondContact O-N 3.48Å; L375-H377 VanDerWaalsContact O-N 3.16Å; H377-F379 PolarHBondContact O-N 3.2Å; H377-R380 WeakPolarHBondContact O-CB 3.25Å; H377-R380 PolarHBondContact O-N 3.02Å; H377-H381 AromaticContact CD2-CD2 3.79Å; H377-H381 AromaticContact CD2-NE2 3.29Å; H377-H381 PolarHBondContact CD2-NE2 3.03Å; H377-H381 VanDerWaalsContact CD2-NE2 3.29Å; H377-H381 AromaticContact CE1-NE2 3.82Å; H377-H381 AromaticContact NE2-CD2 3.86Å; H377-H381 AromaticContact NE2-CE1 3.88Å; H377-H381 AromaticContact NE2-NE2 2.92Å; H377-H381 PolarHBondContact NE2-NE2 3.32Å; H377-H381 PolarHBondContact O-CD2 3.42Å
378	V	47.4	Very low	46.4	Very low	56 Å²	56	93.7 Å²	93.7	34%	0.339	46%	0.46	S	S	.	.	H	α-helix	trans	-66	-36.5	175.8	174.8	0	0	0	0	111.9	I374 L375 R380 H381 V382	I374-V378 HydrophobicContact CG2-CG2 4.27Å; I374-V378 WeakPolarHBondContact O-CG2 3.11Å; I374-V378 PolarHBondContact O-N 3.41Å; L375-V378 PolarHBondContact O-N 3.22Å; V378-R380 PolarHBondContact O-N 3.42Å; V378-R380 VanDerWaalsContact O-N 3.07Å; V378-H381 PolarHBondContact O-N 3.25Å; V378-V382 HydrophobicContact CG1-CG2 4.04Å; V378-V382 PolarHBondContact O-N 2.88Å; V378-V382 VanDerWaalsContact O-N 3.09Å
379	F	45.2	Very low	47.2	Very low	87 Å²	87	90.5 Å²	90.5	38%	0.382	43%	0.432	S	S	.	.	H	α-helix	trans	-61.3	-11.5	169.7	-86.2	-65.8	0	0	0	114.1	L375 H377 I437	L375-F379 WeakPolarHBondContact O-CB 3.47Å; L375-F379 VanDerWaalsContact O-CD2 3.23Å; L375-F379 WeakPolarHBondContact O-CD2 3.2Å; L375-F379 PolarHBondContact O-N 3.18Å; H377-F379 PolarHBondContact O-N 3.2Å; F379-I437 HydrophobicContact CE1-CD1 4.24Å; F379-I437 HydrophobicContact CZ-CD1 4.49Å; F379-I437 HydrophobicContact CZ-CG2 4.38Å
380	R	42.4	Very low	47.9	Very low	141 Å²	141	89.5 Å²	89.5	53%	0.532	43%	0.434	S	S	.	.	H	α-helix	trans	-81.8	-30.9	171	-163.5	-178.8	-61.6	158.9	2.8	112.4	E365 H377 V378	E365-R380 IonicContact OE2-NH1 2.69Å; E365-R380 PolarHBondContact OE2-NH1 3.36Å; H377-R380 WeakPolarHBondContact O-CB 3.25Å; H377-R380 PolarHBondContact O-N 3.02Å; V378-R380 PolarHBondContact O-N 3.42Å; V378-R380 VanDerWaalsContact O-N 3.07Å
381	H	42.1	Very low	48.8	Very low	51 Å²	51	87 Å²	87	24%	0.236	42%	0.423	C	S	.	.	H	α-helix	trans	-85.1	-41.3	-177.7	-59.5	-46.9	0	0	0	111.8	Y362 C363 H377 V378 R383	Y362-H381 VanDerWaalsContact CB-CG 3.45Å; Y362-H381 HydrophobicContact CD2-CB 4.41Å; Y362-H381 HydrophobicContact CG-CB 4.18Å; C363-H381 PolarHBondContact SG-CE1 3.2Å; H377-H381 AromaticContact CD2-CD2 3.79Å; H377-H381 AromaticContact CD2-NE2 3.29Å; H377-H381 PolarHBondContact CD2-NE2 3.03Å; H377-H381 VanDerWaalsContact CD2-NE2 3.29Å; H377-H381 AromaticContact CE1-NE2 3.82Å; H377-H381 AromaticContact NE2-CD2 3.86Å; H377-H381 AromaticContact NE2-CE1 3.88Å; H377-H381 AromaticContact NE2-NE2 2.92Å; H377-H381 PolarHBondContact NE2-NE2 3.32Å; H377-H381 PolarHBondContact O-CD2 3.42Å; V378-H381 PolarHBondContact O-N 3.25Å; H381-R383 VanDerWaalsContact C-N 3.3Å; H381-R383 PolarHBondContact O-N 3.1Å
382	V	38.9	Very low	50.3	Low	63 Å²	63	85.5 Å²	85.5	38%	0.382	41%	0.414	S	S	.	.	S	Bend	trans	-85.8	69.9	-177.8	-163.6	0	0	0	0	111	V378 F384	V378-V382 HydrophobicContact CG1-CG2 4.04Å; V378-V382 PolarHBondContact O-N 2.88Å; V378-V382 VanDerWaalsContact O-N 3.09Å; V382-F384 HydrophobicContact CG1-CD2 3.7Å; V382-F384 HydrophobicContact CG1-CE2 3.35Å; V382-F384 HydrophobicContact CG1-CZ 4.36Å; V382-F384 PolarHBondContact O-N 3.15Å
383	R	35.9	Very low	51.2	Low	220 Å²	220	83 Å²	83	83%	0.83	41%	0.414	S	S	*	.			trans	-72.1	80.7	179.9	-82.9	-179.3	157.4	-179.6	-5.8	113.2	H381 N385	H381-R383 VanDerWaalsContact C-N 3.3Å; H381-R383 PolarHBondContact O-N 3.1Å; R383-N385 PolarHBondContact O-N 3.09Å
384	F	40	Very low	51.4	Low	73 Å²	73	83.7 Å²	83.7	32%	0.32	42%	0.418	S	S	.	.			trans	-77.9	93.4	161.9	-73.9	-79.7	0	0	0	110.9	V382 L433 T1061 L1062	V382-F384 HydrophobicContact CG1-CD2 3.7Å; V382-F384 HydrophobicContact CG1-CE2 3.35Å; V382-F384 HydrophobicContact CG1-CZ 4.36Å; V382-F384 PolarHBondContact O-N 3.15Å; F384-L433 HydrophobicContact CD2-CD2 4.36Å; F384-L433 HydrophobicContact CE2-CD1 4.38Å; F384-L433 HydrophobicContact CE2-CD2 3.42Å; F384-L433 VanDerWaalsContact CE2-CD2 3.42Å; F384-L433 HydrophobicContact CZ-CD1 4.15Å; F384-L433 HydrophobicContact CZ-CD2 3.72Å; F384-T1061 HydrophobicContact CD1-CG2 3.85Å; F384-T1061 HydrophobicContact CE1-CG2 4.18Å; F384-L1062 HydrophobicContact CB-CD1 4.21Å; F384-L1062 HydrophobicContact CB-CD2 3.75Å; F384-L1062 HydrophobicContact CB-CG 4.49Å; F384-L1062 HydrophobicContact CD1-CD1 3.77Å; F384-L1062 HydrophobicContact CD2-CD1 3.35Å; F384-L1062 HydrophobicContact CD2-CD2 4.18Å; F384-L1062 HydrophobicContact CD2-CG 4.41Å; F384-L1062 HydrophobicContact CE1-CD1 3.88Å; F384-L1062 HydrophobicContact CE2-CD1 3.47Å; F384-L1062 VanDerWaalsContact CE2-CD1 3.47Å; F384-L1062 HydrophobicContact CG-CD1 3.51Å; F384-L1062 HydrophobicContact CG-CD2 3.98Å; F384-L1062 HydrophobicContact CG-CG 4.26Å; F384-L1062 HydrophobicContact CZ-CD1 3.75Å
385	N	33.8	Very low	51.8	Low	119 Å²	119	84.4 Å²	84.4	64%	0.636	43%	0.425	S	S	*	.			trans	-162.5	44.6	169.6	-108.8	-6.1	0	0	0	111.1	R383	R383-N385 PolarHBondContact O-N 3.09Å
386	R	49.7	Very low	52.7	Low	208 Å²	208	82.4 Å²	82.4	79%	0.785	42%	0.416	S	S	*	.			trans	-143.7	120.3	-178.3	-82.3	-170.2	174.5	-167.5	-3.3	110.6	V395 T396	R386-V395 HydrophobicContact CB-CG1 3.54Å; R386-V395 HydrophobicContact CG-CG1 3.78Å; R386-T396 CarbonylContact C-O 3.08Å; R386-T396 WeakPolarHBondContact CA-O 3.49Å
387	F	59.5	Low	53	Low	28 Å²	28	76.9 Å²	76.9	12%	0.123	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	105.1	-173.2	-66.5	-114.6	0	0	0	108.1	V395 T396 S397 L399 Y402 I426	F387-V395 WeakPolarHBondContact O-CA 3.26Å; F387-T396 PolarHBondContact N-O 3.13Å; F387-T396 PolarHBondContact O-N 3.18Å; F387-T396 PolarHBondContact O-OG1 3.3Å; F387-S397 WeakPolarHBondContact CE2-O 2.99Å; F387-L399 HydrophobicContact CD1-CB 4.24Å; F387-L399 HydrophobicContact CD1-CD1 4.09Å; F387-L399 HydrophobicContact CE1-CB 3.49Å; F387-L399 VanDerWaalsContact CE1-CB 3.49Å; F387-L399 HydrophobicContact CE1-CD1 3.78Å; F387-L399 HydrophobicContact CE1-CG 4.24Å; F387-L399 VanDerWaalsContact CE1-N 3.34Å; F387-L399 HydrophobicContact CZ-CB 3.98Å; F387-L399 VanDerWaalsContact CZ-N 3.28Å; F387-Y402 HydrophobicContact CB-CD2 3.93Å; F387-Y402 HydrophobicContact CB-CG 3.91Å; F387-Y402 HydrophobicContact CD1-CG 4.47Å; F387-I426 HydrophobicContact CD1-CD1 3.06Å; F387-I426 HydrophobicContact CE1-CD1 3.21Å; F387-I426 HydrophobicContact CE1-CG2 4.32Å; F387-I426 HydrophobicContact CG-CD1 4.01Å; F387-I426 HydrophobicContact CZ-CD1 4.27Å
388	G	61.7	Low	53.5	Low	43 Å²	43	79.2 Å²	79.2	44%	0.443	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135.4	-173.3	0	0	0	0	0	114.6	S394 Y402	G388-S394 CarbonylContact C-O 3.59Å; G388-Y402 VanDerWaalsContact O-CE2 3.31Å; G388-Y402 WeakPolarHBondContact O-CE2 3.23Å; G388-Y402 PolarHBondContact O-OH 3.21Å
389	C	66	Low	54.5	Low	8 Å²	8	79.4 Å²	79.4	5%	0.054	42%	0.418	C	S	.	.			trans	-84.2	117.1	172.9	171	0	0	0	0	111.4	F391 C392 G393 S394 Y402 H405 H410	C389-F391 VanDerWaalsContact C-N 3.3Å; C389-F391 PolarHBondContact O-N 3.12Å; C389-C392 HydrophobicContact CB-CB 4.41Å; C389-C392 WeakPolarHBondContact CB-SG 3.34Å; C389-C392 VanDerWaalsContact SG-CA 3.58Å; C389-C392 WeakPolarHBondContact SG-CB 3.48Å; C389-C392 PolarHBondContact SG-N 3.23Å; C389-C392 CovalentContact SG-SG 2.05Å; C389-C392 PolarHBondContact SG-SG 3.43Å; C389-G393 WeakPolarHBondContact O-CA 3.29Å; C389-G393 PolarHBondContact O-N 2.79Å; C389-S394 VanDerWaalsContact CB-O 3.28Å; C389-S394 WeakPolarHBondContact CB-O 3.47Å; C389-S394 WeakPolarHBondContact CB-OG 3.17Å; C389-S394 PolarHBondContact N-O 3.25Å; C389-Y402 HydrophobicContact CB-CE2 4.18Å; C389-H405 WeakPolarHBondContact CB-NE2 3.14Å; C389-H405 PolarHBondContact SG-NE2 3.15Å; C389-H410 PolarHBondContact SG-NE2 3.37Å; C389-H410 VanDerWaalsContact SG-NE2 3.38Å
390	S	61.1	Low	55.9	Low	83 Å²	83	78.4 Å²	78.4	58%	0.58	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-14.7	177.9	56.5	0	0	0	0	114.6
391	F	63.6	Low	57.5	Low	96 Å²	96	74.9 Å²	74.9	42%	0.421	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-1.3	-178.7	-70.1	-39.4	0	0	0	113.9	C389 H410 Y413 L418	C389-F391 VanDerWaalsContact C-N 3.3Å; C389-F391 PolarHBondContact O-N 3.12Å; F391-H410 WeakPolarHBondContact CB-CE1 3.07Å; F391-H410 HydrophobicContact CD2-CB 4.27Å; F391-H410 AromaticContact CD2-CG 3.9Å; F391-H410 AromaticContact CD2-ND1 3.89Å; F391-Y413 HydrophobicContact CD2-CD2 4.36Å; F391-Y413 HydrophobicContact CD2-CG 4.39Å; F391-Y413 AromaticContact CE2-CD1 3.98Å; F391-Y413 HydrophobicContact CE2-CD1 3.98Å; F391-Y413 HydrophobicContact CE2-CD2 4.18Å; F391-Y413 AromaticContact CE2-CG 3.76Å; F391-Y413 HydrophobicContact CE2-CG 3.76Å; F391-Y413 AromaticContact CZ-CD1 3.93Å; F391-Y413 HydrophobicContact CZ-CD1 3.93Å; F391-Y413 HydrophobicContact CZ-CE1 4.31Å; F391-Y413 HydrophobicContact CZ-CG 4.21Å; F391-L418 HydrophobicContact CD2-CD1 4.3Å; F391-L418 HydrophobicContact CD2-CD2 3.53Å; F391-L418 HydrophobicContact CE2-CD1 3.7Å; F391-L418 HydrophobicContact CE2-CD2 3.48Å; F391-L418 VanDerWaalsContact CE2-CD2 3.48Å; F391-L418 HydrophobicContact CE2-CG 4.11Å; F391-L418 HydrophobicContact CZ-CD1 4Å
392	C	68.2	Low	59.2	Low	60 Å²	60	72.5 Å²	72.5	41%	0.405	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.3	2.3	-169.6	73.1	0	0	0	0	114.9	C389 S394 H405 H410	C389-C392 HydrophobicContact CB-CB 4.41Å; C389-C392 WeakPolarHBondContact CB-SG 3.34Å; C389-C392 VanDerWaalsContact SG-CA 3.58Å; C389-C392 WeakPolarHBondContact SG-CB 3.48Å; C389-C392 PolarHBondContact SG-N 3.23Å; C389-C392 CovalentContact SG-SG 2.05Å; C389-C392 PolarHBondContact SG-SG 3.43Å; C392-S394 PolarHBondContact O-N 2.95Å; C392-S394 PolarHBondContact SG-OG 3.46Å; C392-S394 VanDerWaalsContact SG-OG 3.39Å; C392-H405 PolarHBondContact SG-CE1 2.94Å; C392-H405 PolarHBondContact SG-NE2 3.41Å; C392-H410 WeakPolarHBondContact CB-NE2 3.43Å; C392-H410 PolarHBondContact SG-NE2 3.5Å; C392-H410 VanDerWaalsContact SG-NE2 3.44Å
393	G	59.2	Low	61	Low	59 Å²	59	72 Å²	72	61%	0.608	40%	0.398	S	S	*	.			trans	67.2	-13.4	-178.7	0	0	0	0	0	116.6	C389 V395	C389-G393 WeakPolarHBondContact O-CA 3.29Å; C389-G393 PolarHBondContact O-N 2.79Å; G393-V395 VanDerWaalsContact O-CG2 3.3Å; G393-V395 WeakPolarHBondContact O-CG2 3.29Å
394	S	59.5	Low	63	Low	41 Å²	41	63.3 Å²	63.3	29%	0.287	37%	0.373	S	S	.	.			trans	-58.5	139.4	-174.3	87.7	0	0	0	0	112.7	G388 C389 C392 H405	G388-S394 CarbonylContact C-O 3.59Å; C389-S394 VanDerWaalsContact CB-O 3.28Å; C389-S394 WeakPolarHBondContact CB-O 3.47Å; C389-S394 WeakPolarHBondContact CB-OG 3.17Å; C389-S394 PolarHBondContact N-O 3.25Å; C392-S394 PolarHBondContact O-N 2.95Å; C392-S394 PolarHBondContact SG-OG 3.46Å; C392-S394 VanDerWaalsContact SG-OG 3.39Å; S394-H405 PolarHBondContact OG-CD2 3.08Å; S394-H405 PolarHBondContact OG-CE1 2.72Å; S394-H405 VanDerWaalsContact OG-CE1 3.23Å; S394-H405 PolarHBondContact OG-ND1 3.43Å; S394-H405 PolarHBondContact OG-NE2 3.28Å
395	V	61.3	Low	65	Low	84 Å²	84	61 Å²	61	51%	0.509	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	103.2	-174.4	-171.5	0	0	0	0	110.4	R386 F387 G393	R386-V395 HydrophobicContact CB-CG1 3.54Å; R386-V395 HydrophobicContact CG-CG1 3.78Å; F387-V395 WeakPolarHBondContact O-CA 3.26Å; G393-V395 VanDerWaalsContact O-CG2 3.3Å; G393-V395 WeakPolarHBondContact O-CG2 3.29Å
396	T	66.5	Low	67	Low	24 Å²	24	55.4 Å²	55.4	15%	0.147	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	161.2	-178.3	59.7	0	0	0	0	111.9	R386 F387 Q401 Y402 H405	R386-T396 CarbonylContact C-O 3.08Å; R386-T396 WeakPolarHBondContact CA-O 3.49Å; F387-T396 PolarHBondContact N-O 3.13Å; F387-T396 PolarHBondContact O-N 3.18Å; F387-T396 PolarHBondContact O-OG1 3.3Å; T396-Q401 HydrophobicContact CG2-CB 4.11Å; T396-Y402 WeakPolarHBondContact OG1-CA 3.19Å; T396-Y402 WeakPolarHBondContact OG1-CB 3.44Å; T396-Y402 PolarHBondContact OG1-N 3.48Å; T396-H405 HydrophobicContact CG2-CB 4.17Å
397	S	55.8	Low	68.3	Low	58 Å²	58	51.4 Å²	51.4	41%	0.406	32%	0.324	S	S	.	.	S	Bend	trans	-90.6	-19.9	-172.9	73.3	0	0	0	0	114.5	F387 Q401	F387-S397 WeakPolarHBondContact CE2-O 2.99Å; S397-Q401 PolarHBondContact OG-OE1 2.7Å
398	T	66	Low	68.9	Low	62 Å²	62	57.5 Å²	57.5	38%	0.38	35%	0.346	S	S	.	.	S	Bend	trans	-137.2	156.1	-175.3	60.6	0	0	0	0	112.1	A400 Q401 Y402	T398-A400 PolarHBondContact O-N 3.46Å; T398-Q401 PolarHBondContact O-N 3.36Å; T398-Q401 WeakPolarHBondContact OG1-CB 3.1Å; T398-Q401 WeakPolarHBondContact OG1-CG 3.12Å; T398-Q401 PolarHBondContact OG1-N 3.27Å; T398-Y402 PolarHBondContact O-N 2.85Å
399	L	67.4	Low	69.1	Low	59 Å²	59	61.2 Å²	61.2	31%	0.309	35%	0.353	S	S	.	.	H	α-helix	trans	-57.7	-37.4	176.5	-175.3	66.2	0	0	0	112.2	F387 Y402 E403 R423	F387-L399 HydrophobicContact CD1-CB 4.24Å; F387-L399 HydrophobicContact CD1-CD1 4.09Å; F387-L399 HydrophobicContact CE1-CB 3.49Å; F387-L399 VanDerWaalsContact CE1-CB 3.49Å; F387-L399 HydrophobicContact CE1-CD1 3.78Å; F387-L399 HydrophobicContact CE1-CG 4.24Å; F387-L399 VanDerWaalsContact CE1-N 3.34Å; F387-L399 HydrophobicContact CZ-CB 3.98Å; F387-L399 VanDerWaalsContact CZ-N 3.28Å; L399-Y402 CarbonylContact O-C 3.51Å; L399-Y402 WeakPolarHBondContact O-CB 3.42Å; L399-Y402 PolarHBondContact O-N 3.12Å; L399-E403 WeakPolarHBondContact O-CB 3.48Å; L399-E403 PolarHBondContact O-N 3.4Å; L399-R423 HydrophobicContact CD1-CG 3.81Å
400	A	75	Confident	69.5	Low	66 Å²	66	61.7 Å²	61.7	55%	0.545	35%	0.354	S	S	.	.	H	α-helix	trans	-68.4	-39.9	179.3	0	0	0	0	0	112.2	T398 Y402 E403 A404	T398-A400 PolarHBondContact O-N 3.46Å; A400-Y402 VanDerWaalsContact C-N 3.3Å; A400-Y402 PolarHBondContact O-N 3.19Å; A400-E403 PolarHBondContact O-N 2.9Å; A400-A404 WeakPolarHBondContact O-CB 3.35Å; A400-A404 PolarHBondContact O-N 3.41Å
401	Q	77	Confident	69.8	Low	68 Å²	68	61.3 Å²	61.3	32%	0.318	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-36.6	171.2	-74.3	172.2	-19	0	0	111.2	T396 S397 T398 H405	T396-Q401 HydrophobicContact CG2-CB 4.11Å; S397-Q401 PolarHBondContact OG-OE1 2.7Å; T398-Q401 PolarHBondContact O-N 3.36Å; T398-Q401 WeakPolarHBondContact OG1-CB 3.1Å; T398-Q401 WeakPolarHBondContact OG1-CG 3.12Å; T398-Q401 PolarHBondContact OG1-N 3.27Å; Q401-H405 WeakPolarHBondContact O-CB 3.43Å; Q401-H405 PolarHBondContact O-N 2.98Å
402	Y	77.7	Confident	69.7	Low	0 Å²	0	65.4 Å²	65.4	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-68.8	-42.9	175.1	-168.3	-107.2	0	0	0	113.1	F387 G388 C389 T396 T398 L399 A400 H405 L406 M419 T422	F387-Y402 HydrophobicContact CB-CD2 3.93Å; F387-Y402 HydrophobicContact CB-CG 3.91Å; F387-Y402 HydrophobicContact CD1-CG 4.47Å; G388-Y402 VanDerWaalsContact O-CE2 3.31Å; G388-Y402 WeakPolarHBondContact O-CE2 3.23Å; G388-Y402 PolarHBondContact O-OH 3.21Å; C389-Y402 HydrophobicContact CB-CE2 4.18Å; T396-Y402 WeakPolarHBondContact OG1-CA 3.19Å; T396-Y402 WeakPolarHBondContact OG1-CB 3.44Å; T396-Y402 PolarHBondContact OG1-N 3.48Å; T398-Y402 PolarHBondContact O-N 2.85Å; L399-Y402 CarbonylContact O-C 3.51Å; L399-Y402 WeakPolarHBondContact O-CB 3.42Å; L399-Y402 PolarHBondContact O-N 3.12Å; A400-Y402 VanDerWaalsContact C-N 3.3Å; A400-Y402 PolarHBondContact O-N 3.19Å; Y402-H405 PolarHBondContact O-N 3.46Å; Y402-L406 HydrophobicContact CD1-CD1 4.03Å; Y402-L406 HydrophobicContact CD1-CG 4.37Å; Y402-L406 HydrophobicContact CE1-CD1 3.29Å; Y402-L406 HydrophobicContact CE1-CG 3.86Å; Y402-L406 HydrophobicContact CE2-CD1 4.48Å; Y402-L406 HydrophobicContact CE2-CD2 4.32Å; Y402-L406 HydrophobicContact CE2-CG 4.23Å; Y402-L406 PolarHBondContact O-N 3.15Å; Y402-M419 HydrophobicContact CD1-CE 3.6Å; Y402-M419 HydrophobicContact CE1-CE 3.77Å; Y402-T422 HydrophobicContact CD1-CG2 4.32Å; Y402-T422 HydrophobicContact CE1-CG2 3.4Å; Y402-T422 VanDerWaalsContact CE1-CG2 3.4Å; Y402-T422 WeakPolarHBondContact OH-CG2 3.42Å; Y402-T422 PolarHBondContact OH-OG1 2.92Å
403	E	75.6	Confident	69.6	Low	53 Å²	53	69 Å²	69	25%	0.248	38%	0.378	C	S	.	.	H	α-helix	trans	-59.6	-47.9	173.4	-85.8	173.2	169.7	0	0	111.1	L399 A400 Q407 M419 R423	L399-E403 WeakPolarHBondContact O-CB 3.48Å; L399-E403 PolarHBondContact O-N 3.4Å; A400-E403 PolarHBondContact O-N 2.9Å; E403-Q407 VanDerWaalsContact O-CB 3.31Å; E403-Q407 WeakPolarHBondContact O-CB 3.15Å; E403-Q407 WeakPolarHBondContact O-CG 3.3Å; E403-Q407 PolarHBondContact O-N 3.03Å; E403-M419 HydrophobicContact CB-SD 4.04Å; E403-M419 HydrophobicContact CG-CE 3.68Å; E403-M419 HydrophobicContact CG-SD 3.33Å; E403-M419 WeakPolarHBondContact CG-SD 3.46Å; E403-R423 WeakPolarHBondContact OE1-CD 3.4Å; E403-R423 IonicContact OE1-CZ 3.11Å; E403-R423 IonicContact OE1-NE 3.98Å; E403-R423 IonicContact OE1-NH1 3.9Å; E403-R423 PolarHBondContact OE1-NH1 3.28Å
404	A	79.1	Confident	69.9	Low	37 Å²	37	71.6 Å²	71.6	31%	0.306	38%	0.378	S	S	.	.	H	α-helix	trans	-67.8	-35.4	176.2	0	0	0	0	0	113.2	A400 R408	A400-A404 WeakPolarHBondContact O-CB 3.35Å; A400-A404 PolarHBondContact O-N 3.41Å; A404-R408 WeakPolarHBondContact O-CB 3.23Å; A404-R408 PolarHBondContact O-N 2.84Å
405	H	81.7	Confident	69.9	Low	26 Å²	26	71.2 Å²	71.2	12%	0.12	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-51.3	176.1	157.8	60.1	0	0	0	111	C389 C392 S394 T396 Q401 Y402 Q407 R408 M409 H410	C389-H405 WeakPolarHBondContact CB-NE2 3.14Å; C389-H405 PolarHBondContact SG-NE2 3.15Å; C392-H405 PolarHBondContact SG-CE1 2.94Å; C392-H405 PolarHBondContact SG-NE2 3.41Å; S394-H405 PolarHBondContact OG-CD2 3.08Å; S394-H405 PolarHBondContact OG-CE1 2.72Å; S394-H405 VanDerWaalsContact OG-CE1 3.23Å; S394-H405 PolarHBondContact OG-ND1 3.43Å; S394-H405 PolarHBondContact OG-NE2 3.28Å; T396-H405 HydrophobicContact CG2-CB 4.17Å; Q401-H405 WeakPolarHBondContact O-CB 3.43Å; Q401-H405 PolarHBondContact O-N 2.98Å; Y402-H405 PolarHBondContact O-N 3.46Å; H405-Q407 VanDerWaalsContact C-N 3.29Å; H405-Q407 PolarHBondContact O-N 3.36Å; H405-R408 PolarHBondContact O-N 2.06Å; H405-R408 VanDerWaalsContact O-N 3.13Å; H405-M409 VanDerWaalsContact CE1-CG 3.46Å; H405-M409 WeakPolarHBondContact CE1-CG 3.2Å; H405-M409 WeakPolarHBondContact ND1-CG 3.5Å; H405-M409 WeakPolarHBondContact O-CB 3.39Å; H405-M409 PolarHBondContact O-N 3.04Å; H405-H410 AromaticContact CE1-NE2 3.94Å; H405-H410 AromaticContact NE2-CD2 3.8Å; H405-H410 AromaticContact NE2-NE2 3.89Å
406	L	74.9	Confident	69.9	Low	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-61.3	-40.8	176.8	-70.1	-175.2	0	0	0	110.8	Y402 R408 M409 H410 L415 L418 M419	Y402-L406 HydrophobicContact CD1-CD1 4.03Å; Y402-L406 HydrophobicContact CD1-CG 4.37Å; Y402-L406 HydrophobicContact CE1-CD1 3.29Å; Y402-L406 HydrophobicContact CE1-CG 3.86Å; Y402-L406 HydrophobicContact CE2-CD1 4.48Å; Y402-L406 HydrophobicContact CE2-CD2 4.32Å; Y402-L406 HydrophobicContact CE2-CG 4.23Å; Y402-L406 PolarHBondContact O-N 3.15Å; L406-R408 PolarHBondContact O-N 3.48Å; L406-M409 PolarHBondContact O-N 3.28Å; L406-H410 HydrophobicContact CD2-CB 4.38Å; L406-H410 CarbonylContact O-C 3.18Å; L406-H410 WeakPolarHBondContact O-CA 3.49Å; L406-H410 PolarHBondContact O-N 3.24Å; L406-L415 HydrophobicContact CB-CD2 3.6Å; L406-L415 HydrophobicContact CB-CG 4.44Å; L406-L418 HydrophobicContact CD1-CD2 3.76Å; L406-L418 HydrophobicContact CD1-CG 4.3Å; L406-L418 HydrophobicContact CD2-CD2 3.63Å; L406-L418 HydrophobicContact CG-CD2 4.31Å; L406-M419 HydrophobicContact CB-SD 4.33Å; L406-M419 HydrophobicContact CD1-CE 3.9Å; L406-M419 HydrophobicContact CD1-CG 3.81Å; L406-M419 HydrophobicContact CD1-SD 3.63Å; L406-M419 HydrophobicContact CG-SD 4.47Å
407	Q	77	Confident	69.8	Low	125 Å²	125	71.7 Å²	71.7	58%	0.584	38%	0.383	S	S	*	.	H	α-helix	trans	-62.6	-26.4	176.8	-76.5	174.9	5.5	0	0	113.9	E403 H405 L415	E403-Q407 VanDerWaalsContact O-CB 3.31Å; E403-Q407 WeakPolarHBondContact O-CB 3.15Å; E403-Q407 WeakPolarHBondContact O-CG 3.3Å; E403-Q407 PolarHBondContact O-N 3.03Å; H405-Q407 VanDerWaalsContact C-N 3.29Å; H405-Q407 PolarHBondContact O-N 3.36Å; Q407-L415 HydrophobicContact CG-CD1 4.25Å; Q407-L415 HydrophobicContact CG-CD2 3.81Å
408	R	72.9	Confident	70	Confident	155 Å²	155	69.6 Å²	69.6	59%	0.585	37%	0.368	S	S	*	.	H	α-helix	trans	-89	-42	175.3	-80.6	-175.1	163	120	-2	114	A404 H405 L406	A404-R408 WeakPolarHBondContact O-CB 3.23Å; A404-R408 PolarHBondContact O-N 2.84Å; H405-R408 PolarHBondContact O-N 2.06Å; H405-R408 VanDerWaalsContact O-N 3.13Å; L406-R408 PolarHBondContact O-N 3.48Å
409	M	66.5	Low	69.9	Low	121 Å²	121	66.9 Å²	66.9	60%	0.596	35%	0.351	S	S	*	.	H	α-helix	trans	-102.3	-19.6	-167.2	-57	-57.3	-65.6	0	0	113.9	H405 L406	H405-M409 VanDerWaalsContact CE1-CG 3.46Å; H405-M409 WeakPolarHBondContact CE1-CG 3.2Å; H405-M409 WeakPolarHBondContact ND1-CG 3.5Å; H405-M409 WeakPolarHBondContact O-CB 3.39Å; H405-M409 PolarHBondContact O-N 3.04Å; L406-M409 PolarHBondContact O-N 3.28Å
410	H	74.1	Confident	69.7	Low	18 Å²	18	66 Å²	66	8%	0.083	35%	0.347	C	S	.	.	S	Bend	trans	-133.6	34	-175.6	-57.2	-62.8	0	0	0	111.5	C389 F391 C392 H405 L406 E412 Y413 L415	C389-H410 PolarHBondContact SG-NE2 3.37Å; C389-H410 VanDerWaalsContact SG-NE2 3.38Å; F391-H410 WeakPolarHBondContact CB-CE1 3.07Å; F391-H410 HydrophobicContact CD2-CB 4.27Å; F391-H410 AromaticContact CD2-CG 3.9Å; F391-H410 AromaticContact CD2-ND1 3.89Å; C392-H410 WeakPolarHBondContact CB-NE2 3.43Å; C392-H410 PolarHBondContact SG-NE2 3.5Å; C392-H410 VanDerWaalsContact SG-NE2 3.44Å; H405-H410 AromaticContact CE1-NE2 3.94Å; H405-H410 AromaticContact NE2-CD2 3.8Å; H405-H410 AromaticContact NE2-NE2 3.89Å; L406-H410 HydrophobicContact CD2-CB 4.38Å; L406-H410 CarbonylContact O-C 3.18Å; L406-H410 WeakPolarHBondContact O-CA 3.49Å; L406-H410 PolarHBondContact O-N 3.24Å; H410-E412 PolarHBondContact O-N 2.88Å; H410-Y413 HydrophobicContact CB-CD2 4.18Å; H410-Y413 PolarHBondContact O-N 2.87Å; H410-L415 WeakPolarHBondContact O-CD1 3.47Å
411	S	66.5	Low	68.8	Low	76 Å²	76	67.9 Å²	67.9	53%	0.531	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-35.4	176.4	47.4	0	0	0	0	114
412	E	60.9	Low	67.8	Low	181 Å²	181	65.1 Å²	65.1	85%	0.846	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-25.8	-175.4	-54.5	-170.6	167	0	0	113.7	H410	H410-E412 PolarHBondContact O-N 2.88Å
413	Y	66.4	Low	66.6	Low	136 Å²	136	68 Å²	68	53%	0.533	34%	0.343	S	S	.	.	S	Bend	trans	-74.8	157.4	171.8	-66.8	-84.5	0	0	0	109.4	F391 H410 L415	F391-Y413 HydrophobicContact CD2-CD2 4.36Å; F391-Y413 HydrophobicContact CD2-CG 4.39Å; F391-Y413 AromaticContact CE2-CD1 3.98Å; F391-Y413 HydrophobicContact CE2-CD1 3.98Å; F391-Y413 HydrophobicContact CE2-CD2 4.18Å; F391-Y413 AromaticContact CE2-CG 3.76Å; F391-Y413 HydrophobicContact CE2-CG 3.76Å; F391-Y413 AromaticContact CZ-CD1 3.93Å; F391-Y413 HydrophobicContact CZ-CD1 3.93Å; F391-Y413 HydrophobicContact CZ-CE1 4.31Å; F391-Y413 HydrophobicContact CZ-CG 4.21Å; H410-Y413 HydrophobicContact CB-CD2 4.18Å; H410-Y413 PolarHBondContact O-N 2.87Å; Y413-L415 PolarHBondContact O-N 2.97Å
414	N	65.8	Low	65.5	Low	114 Å²	114	68.2 Å²	68.2	61%	0.61	34%	0.344	S	S	*	.			trans	-67.5	90.8	174.6	-176.4	-19.5	0	0	0	109.6	S416 A417 L418	N414-S416 VanDerWaalsContact C-N 3.28Å; N414-S416 PolarHBondContact O-N 2.77Å; N414-S416 PolarHBondContact OD1-N 2.9Å; N414-A417 HydrophobicContact CB-CB 3.92Å; N414-A417 CarbonylContact O-C 3.34Å; N414-A417 WeakPolarHBondContact O-CA 3.38Å; N414-A417 WeakPolarHBondContact O-CB 3.15Å; N414-A417 PolarHBondContact O-N 3.42Å; N414-A417 PolarHBondContact OD1-N 3.26Å; N414-L418 PolarHBondContact O-N 3Å
415	L	60.6	Low	63.9	Low	33 Å²	33	68.6 Å²	68.6	17%	0.173	34%	0.34	C	S	.	.	H	α-helix	trans	-61.2	-34.8	-174.4	-122.3	148.2	0	0	0	112.2	L406 Q407 H410 Y413 M419	L406-L415 HydrophobicContact CB-CD2 3.6Å; L406-L415 HydrophobicContact CB-CG 4.44Å; Q407-L415 HydrophobicContact CG-CD1 4.25Å; Q407-L415 HydrophobicContact CG-CD2 3.81Å; H410-L415 WeakPolarHBondContact O-CD1 3.47Å; Y413-L415 PolarHBondContact O-N 2.97Å; L415-M419 HydrophobicContact CD2-CG 3.69Å; L415-M419 HydrophobicContact CD2-SD 4.34Å; L415-M419 WeakPolarHBondContact O-CA 3.33Å; L415-M419 WeakPolarHBondContact O-CB 3.19Å; L415-M419 WeakPolarHBondContact O-CG 3.45Å; L415-M419 PolarHBondContact O-N 3.39Å
416	S	61.1	Low	62.3	Low	71 Å²	71	69.1 Å²	69.1	50%	0.497	34%	0.343	S	S	.	.	H	α-helix	trans	-68.8	-39.6	172.9	-159.1	0	0	0	0	110.8	N414 M419 D420	N414-S416 VanDerWaalsContact C-N 3.28Å; N414-S416 PolarHBondContact O-N 2.77Å; N414-S416 PolarHBondContact OD1-N 2.9Å; S416-M419 PolarHBondContact O-N 2.89Å; S416-D420 WeakPolarHBondContact O-CA 3.34Å; S416-D420 WeakPolarHBondContact O-CB 3.34Å; S416-D420 PolarHBondContact O-N 3.1Å; S416-D420 VanDerWaalsContact O-OD2 3.1Å; S416-D420 PolarHBondContact OG-OD2 2.84Å
417	A	63.6	Low	60.8	Low	46 Å²	46	74.2 Å²	74.2	38%	0.38	36%	0.363	S	S	.	.	H	α-helix	trans	-67.3	-41.6	176.5	0	0	0	0	0	112.3	N414 Q421	N414-A417 HydrophobicContact CB-CB 3.92Å; N414-A417 CarbonylContact O-C 3.34Å; N414-A417 WeakPolarHBondContact O-CA 3.38Å; N414-A417 WeakPolarHBondContact O-CB 3.15Å; N414-A417 PolarHBondContact O-N 3.42Å; N414-A417 PolarHBondContact OD1-N 3.26Å; A417-Q421 WeakPolarHBondContact O-CB 3.18Å; A417-Q421 PolarHBondContact O-N 2.9Å
418	L	60.3	Low	59.2	Low	15 Å²	15	73.6 Å²	73.6	8%	0.079	36%	0.355	C	S	.	.	H	α-helix	trans	-72.2	-35.1	173.8	-169.3	78.7	0	0	0	111.6	F391 L406 N414 Q421 T422	F391-L418 HydrophobicContact CD2-CD1 4.3Å; F391-L418 HydrophobicContact CD2-CD2 3.53Å; F391-L418 HydrophobicContact CE2-CD1 3.7Å; F391-L418 HydrophobicContact CE2-CD2 3.48Å; F391-L418 VanDerWaalsContact CE2-CD2 3.48Å; F391-L418 HydrophobicContact CE2-CG 4.11Å; F391-L418 HydrophobicContact CZ-CD1 4Å; L406-L418 HydrophobicContact CD1-CD2 3.76Å; L406-L418 HydrophobicContact CD1-CG 4.3Å; L406-L418 HydrophobicContact CD2-CD2 3.63Å; L406-L418 HydrophobicContact CG-CD2 4.31Å; N414-L418 PolarHBondContact O-N 3Å; L418-Q421 CarbonylContact O-C 3.36Å; L418-Q421 PolarHBondContact O-N 3.44Å; L418-T422 WeakPolarHBondContact O-CA 3.36Å; L418-T422 WeakPolarHBondContact O-CB 3.4Å; L418-T422 PolarHBondContact O-N 3.34Å; L418-T422 PolarHBondContact O-OG1 3.43Å
419	M	64.5	Low	57.6	Low	5 Å²	5	69.7 Å²	69.7	3%	0.025	34%	0.343	C	S	.	.	H	α-helix	trans	-73.9	-28	175.5	-71	-96.4	39.3	0	0	112.3	Y402 E403 L406 L415 S416 R423	Y402-M419 HydrophobicContact CD1-CE 3.6Å; Y402-M419 HydrophobicContact CE1-CE 3.77Å; E403-M419 HydrophobicContact CB-SD 4.04Å; E403-M419 HydrophobicContact CG-CE 3.68Å; E403-M419 HydrophobicContact CG-SD 3.33Å; E403-M419 WeakPolarHBondContact CG-SD 3.46Å; L406-M419 HydrophobicContact CB-SD 4.33Å; L406-M419 HydrophobicContact CD1-CE 3.9Å; L406-M419 HydrophobicContact CD1-CG 3.81Å; L406-M419 HydrophobicContact CD1-SD 3.63Å; L406-M419 HydrophobicContact CG-SD 4.47Å; L415-M419 HydrophobicContact CD2-CG 3.69Å; L415-M419 HydrophobicContact CD2-SD 4.34Å; L415-M419 WeakPolarHBondContact O-CA 3.33Å; L415-M419 WeakPolarHBondContact O-CB 3.19Å; L415-M419 WeakPolarHBondContact O-CG 3.45Å; L415-M419 PolarHBondContact O-N 3.39Å; S416-M419 PolarHBondContact O-N 2.89Å; M419-R423 HydrophobicContact CE-CG 4.02Å; M419-R423 WeakPolarHBondContact O-CA 3.32Å; M419-R423 WeakPolarHBondContact O-CB 3.27Å; M419-R423 WeakPolarHBondContact O-CD 3.39Å; M419-R423 WeakPolarHBondContact O-CG 3.42Å; M419-R423 PolarHBondContact O-N 3.1Å; M419-R423 PolarHBondContact O-NE 3.46Å
420	D	61.5	Low	56.4	Low	41 Å²	41	64.3 Å²	64.3	22%	0.219	32%	0.318	C	S	.	.	H	α-helix	trans	-82.2	-35	171.4	-73	-44.5	0	0	0	111.1	S416 R423 H424 R427	S416-D420 WeakPolarHBondContact O-CA 3.34Å; S416-D420 WeakPolarHBondContact O-CB 3.34Å; S416-D420 PolarHBondContact O-N 3.1Å; S416-D420 VanDerWaalsContact O-OD2 3.1Å; S416-D420 PolarHBondContact OG-OD2 2.84Å; D420-R423 IonicContact OD1-CZ 2.74Å; D420-R423 IonicContact OD1-NE 2.98Å; D420-R423 IonicContact OD1-NH2 3.83Å; D420-R423 PolarHBondContact OD1-NH2 3.28Å; D420-R423 IonicContact OD2-NH2 2.66Å; D420-H424 WeakPolarHBondContact O-CA 3.33Å; D420-H424 WeakPolarHBondContact O-CB 3.48Å; D420-H424 PolarHBondContact O-CD2 2.79Å; D420-H424 PolarHBondContact O-N 3.33Å; D420-R427 PolarHBondContact O-NH1 2.98Å; D420-R427 IonicContact OD1-CZ 3.24Å; D420-R427 IonicContact OD1-NH1 3.57Å; D420-R427 PolarHBondContact OD1-NH1 2.83Å; D420-R427 IonicContact OD1-NH2 3.76Å; D420-R427 PolarHBondContact OD1-NH2 3.04Å
421	Q	56.7	Low	54.8	Low	104 Å²	104	64.9 Å²	64.9	49%	0.486	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-46.9	165.8	-169	168.1	-9	0	0	109.8	A417 L418 H424 L425	A417-Q421 WeakPolarHBondContact O-CB 3.18Å; A417-Q421 PolarHBondContact O-N 2.9Å; L418-Q421 CarbonylContact O-C 3.36Å; L418-Q421 PolarHBondContact O-N 3.44Å; Q421-H424 CarbonylContact O-C 3.58Å; Q421-H424 PolarHBondContact O-N 2.81Å; Q421-L425 HydrophobicContact CG-CD1 4.14Å; Q421-L425 WeakPolarHBondContact O-CB 3.48Å; Q421-L425 WeakPolarHBondContact O-CD1 3.32Å; Q421-L425 WeakPolarHBondContact O-CG 3.24Å; Q421-L425 PolarHBondContact O-N 2.76Å
422	T	55.9	Low	53.5	Low	11 Å²	11	66.7 Å²	66.7	7%	0.067	32%	0.323	C	S	.	.	H	α-helix	trans	-80.4	-24.8	-179.5	-42.2	0	0	0	0	115.2	Y402 L418 L425 I426	Y402-T422 HydrophobicContact CD1-CG2 4.32Å; Y402-T422 HydrophobicContact CE1-CG2 3.4Å; Y402-T422 VanDerWaalsContact CE1-CG2 3.4Å; Y402-T422 WeakPolarHBondContact OH-CG2 3.42Å; Y402-T422 PolarHBondContact OH-OG1 2.92Å; L418-T422 WeakPolarHBondContact O-CA 3.36Å; L418-T422 WeakPolarHBondContact O-CB 3.4Å; L418-T422 PolarHBondContact O-N 3.34Å; L418-T422 PolarHBondContact O-OG1 3.43Å; T422-L425 HydrophobicContact CG2-CB 4.18Å; T422-L425 HydrophobicContact CG2-CD1 4.17Å; T422-L425 CarbonylContact O-C 3.5Å; T422-L425 WeakPolarHBondContact O-CA 3.36Å; T422-L425 WeakPolarHBondContact O-CB 3.37Å; T422-L425 PolarHBondContact O-N 2.93Å; T422-I426 VanDerWaalsContact O-CG1 3.3Å; T422-I426 WeakPolarHBondContact O-CG1 3.5Å; T422-I426 PolarHBondContact O-N 3.3Å
423	R	54	Low	52.5	Low	61 Å²	61	60.3 Å²	60.3	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-82	-26.6	167.1	-67.8	170.3	-53.1	-164	5.4	110.9	L399 E403 M419 D420 I426 R427	L399-R423 HydrophobicContact CD1-CG 3.81Å; E403-R423 WeakPolarHBondContact OE1-CD 3.4Å; E403-R423 IonicContact OE1-CZ 3.11Å; E403-R423 IonicContact OE1-NE 3.98Å; E403-R423 IonicContact OE1-NH1 3.9Å; E403-R423 PolarHBondContact OE1-NH1 3.28Å; M419-R423 HydrophobicContact CE-CG 4.02Å; M419-R423 WeakPolarHBondContact O-CA 3.32Å; M419-R423 WeakPolarHBondContact O-CB 3.27Å; M419-R423 WeakPolarHBondContact O-CD 3.39Å; M419-R423 WeakPolarHBondContact O-CG 3.42Å; M419-R423 PolarHBondContact O-N 3.1Å; M419-R423 PolarHBondContact O-NE 3.46Å; D420-R423 IonicContact OD1-CZ 2.74Å; D420-R423 IonicContact OD1-NE 2.98Å; D420-R423 IonicContact OD1-NH2 3.83Å; D420-R423 PolarHBondContact OD1-NH2 3.28Å; D420-R423 IonicContact OD2-NH2 2.66Å; R423-I426 VanDerWaalsContact C-N 3.34Å; R423-I426 CarbonylContact O-C 3.56Å; R423-I426 WeakPolarHBondContact O-CA 3.27Å; R423-I426 PolarHBondContact O-N 3.28Å; R423-R427 VanDerWaalsContact CB-CZ 3.44Å; R423-R427 VanDerWaalsContact O-CB 3.32Å; R423-R427 WeakPolarHBondContact O-CB 3.43Å; R423-R427 WeakPolarHBondContact O-CD 3.48Å; R423-R427 WeakPolarHBondContact O-CG 3.49Å; R423-R427 PolarHBondContact O-N 2.96Å; R423-R427 PolarHBondContact O-NE 2.95Å
424	H	52.3	Low	51.2	Low	57 Å²	57	55.5 Å²	55.5	26%	0.264	28%	0.279	S	S	.	.	H	α-helix	trans	-65.6	-33.1	158.8	-70.1	-63.7	0	0	0	111.1	D420 Q421 I426 R427 R428 K1057 A1058 N1059 I1060	D420-H424 WeakPolarHBondContact O-CA 3.33Å; D420-H424 WeakPolarHBondContact O-CB 3.48Å; D420-H424 PolarHBondContact O-CD2 2.79Å; D420-H424 PolarHBondContact O-N 3.33Å; Q421-H424 CarbonylContact O-C 3.58Å; Q421-H424 PolarHBondContact O-N 2.81Å; H424-I426 PolarHBondContact O-N 2.69Å; H424-R427 PolarHBondContact CD2-NH1 2.98Å; H424-R427 VanDerWaalsContact CD2-NH1 3.27Å; H424-R427 PolarHBondContact CE1-NH1 3.45Å; H424-R427 VanDerWaalsContact CE1-NH1 3.34Å; H424-R427 PolarHBondContact ND1-NH1 3.45Å; H424-R427 PolarHBondContact NE2-NH1 2.92Å; H424-R427 PolarHBondContact O-N 3.2Å; H424-R427 VanDerWaalsContact O-N 3.07Å; H424-R428 PolarHBondContact O-N 3.43Å; H424-K1057 PolarHBondContact CD2-O 3.23Å; H424-K1057 VanDerWaalsContact CD2-O 3.28Å; H424-A1058 WeakPolarHBondContact CB-O 3.35Å; H424-A1058 PolarHBondContact CD2-N 3.27Å; H424-N1059 CarbonylContact C-O 3.54Å; H424-N1059 CarbonylContact O-C 3.08Å; H424-N1059 VanDerWaalsContact O-O 3.1Å; H424-I1060 PolarHBondContact O-N 2.92Å; H424-I1060 VanDerWaalsContact O-N 3.13Å
425	L	44.3	Very low	49.7	Very low	44 Å²	44	53 Å²	53	23%	0.23	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	7.1	163.8	-48.9	146.4	0	0	0	112.7	Q421 T422 N1059 I1060 T1061	Q421-L425 HydrophobicContact CG-CD1 4.14Å; Q421-L425 WeakPolarHBondContact O-CB 3.48Å; Q421-L425 WeakPolarHBondContact O-CD1 3.32Å; Q421-L425 WeakPolarHBondContact O-CG 3.24Å; Q421-L425 PolarHBondContact O-N 2.76Å; T422-L425 HydrophobicContact CG2-CB 4.18Å; T422-L425 HydrophobicContact CG2-CD1 4.17Å; T422-L425 CarbonylContact O-C 3.5Å; T422-L425 WeakPolarHBondContact O-CA 3.36Å; T422-L425 WeakPolarHBondContact O-CB 3.37Å; T422-L425 PolarHBondContact O-N 2.93Å; L425-N1059 WeakPolarHBondContact CA-O 3.33Å; L425-N1059 VanDerWaalsContact CB-O 3.24Å; L425-N1059 WeakPolarHBondContact CB-O 3.14Å; L425-N1059 WeakPolarHBondContact CD2-O 3.44Å; L425-N1059 WeakPolarHBondContact CG-O 3.25Å; L425-N1059 PolarHBondContact N-O 2.86Å; L425-I1060 CarbonylContact C-O 3.56Å; L425-I1060 VanDerWaalsContact CA-C 3.46Å; L425-I1060 VanDerWaalsContact CA-CA 3.42Å; L425-I1060 WeakPolarHBondContact CA-O 3.39Å; L425-I1060 HydrophobicContact CB-CB 3.62Å; L425-I1060 HydrophobicContact CB-CG2 4.02Å; L425-I1060 HydrophobicContact CD2-CB 3.57Å; L425-I1060 HydrophobicContact CD2-CD1 3.65Å; L425-I1060 HydrophobicContact CD2-CG1 3.76Å; L425-I1060 HydrophobicContact CD2-CG2 4.29Å; L425-I1060 HydrophobicContact CG-CB 4.1Å; L425-I1060 CarbonylContact O-C 3.55Å; L425-I1060 WeakPolarHBondContact O-CG2 3.46Å; L425-T1061 VanDerWaalsContact O-CB 3.27Å; L425-T1061 WeakPolarHBondContact O-CB 3.32Å; L425-T1061 PolarHBondContact O-N 3.03Å; L425-T1061 PolarHBondContact O-OG1 3.38Å
426	I	48.5	Very low	48.6	Very low	38 Å²	38	53.3 Å²	53.3	20%	0.195	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136	25.8	164	-55.2	-179.3	0	0	0	111.1	F387 T422 R423 H424 I1060 T1061	F387-I426 HydrophobicContact CD1-CD1 3.06Å; F387-I426 HydrophobicContact CE1-CD1 3.21Å; F387-I426 HydrophobicContact CE1-CG2 4.32Å; F387-I426 HydrophobicContact CG-CD1 4.01Å; F387-I426 HydrophobicContact CZ-CD1 4.27Å; T422-I426 VanDerWaalsContact O-CG1 3.3Å; T422-I426 WeakPolarHBondContact O-CG1 3.5Å; T422-I426 PolarHBondContact O-N 3.3Å; R423-I426 VanDerWaalsContact C-N 3.34Å; R423-I426 CarbonylContact O-C 3.56Å; R423-I426 WeakPolarHBondContact O-CA 3.27Å; R423-I426 PolarHBondContact O-N 3.28Å; H424-I426 PolarHBondContact O-N 2.69Å; I426-I1060 CarbonylContact C-O 3.54Å; I426-I1060 VanDerWaalsContact C-O 3.29Å; I426-I1060 WeakPolarHBondContact CA-O 3.31Å; I426-I1060 PolarHBondContact N-O 3.27Å; I426-T1061 CarbonylContact C-O 3.32Å
427	R	44.1	Very low	47.5	Very low	107 Å²	107	52 Å²	52	40%	0.404	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-19.9	174.2	-67.8	152.4	-159.8	157.1	-5.6	114.3	D420 R423 H424 S431 I1060 T1061	D420-R427 PolarHBondContact O-NH1 2.98Å; D420-R427 IonicContact OD1-CZ 3.24Å; D420-R427 IonicContact OD1-NH1 3.57Å; D420-R427 PolarHBondContact OD1-NH1 2.83Å; D420-R427 IonicContact OD1-NH2 3.76Å; D420-R427 PolarHBondContact OD1-NH2 3.04Å; R423-R427 VanDerWaalsContact CB-CZ 3.44Å; R423-R427 VanDerWaalsContact O-CB 3.32Å; R423-R427 WeakPolarHBondContact O-CB 3.43Å; R423-R427 WeakPolarHBondContact O-CD 3.48Å; R423-R427 WeakPolarHBondContact O-CG 3.49Å; R423-R427 PolarHBondContact O-N 2.96Å; R423-R427 PolarHBondContact O-NE 2.95Å; H424-R427 PolarHBondContact CD2-NH1 2.98Å; H424-R427 VanDerWaalsContact CD2-NH1 3.27Å; H424-R427 PolarHBondContact CE1-NH1 3.45Å; H424-R427 VanDerWaalsContact CE1-NH1 3.34Å; H424-R427 PolarHBondContact ND1-NH1 3.45Å; H424-R427 PolarHBondContact NE2-NH1 2.92Å; H424-R427 PolarHBondContact O-N 3.2Å; H424-R427 VanDerWaalsContact O-N 3.07Å; R427-S431 WeakPolarHBondContact O-CB 3.31Å; R427-S431 PolarHBondContact O-N 3.41Å; R427-I1060 CarbonylContact C-O 3.06Å; R427-I1060 PolarHBondContact N-O 2.87Å; R427-T1061 CarbonylContact C-O 3.21Å; R427-T1061 PolarHBondContact N-O 3.25Å
428	R	42.7	Very low	46	Very low	111 Å²	111	53.8 Å²	53.8	42%	0.419	25%	0.253	S	S	.	.	S	Bend	trans	-133.5	-11.5	-165.4	-151.7	-115.8	71.3	-171.2	-7.1	119.6	H424 A430 S431 F432 N1059 I1060 T1061	H424-R428 PolarHBondContact O-N 3.43Å; R428-A430 VanDerWaalsContact C-N 3.32Å; R428-S431 WeakPolarHBondContact CA-OG 3.19Å; R428-S431 PolarHBondContact O-OG 3.05Å; R428-S431 VanDerWaalsContact O-OG 3.13Å; R428-F432 WeakPolarHBondContact O-CB 3.2Å; R428-F432 PolarHBondContact O-N 3.15Å; R428-N1059 PolarHBondContact NH1-OD1 3.36Å; R428-N1059 PolarHBondContact NH2-OD1 2.67Å; R428-I1060 PolarHBondContact N-O 2.73Å; R428-T1061 PolarHBondContact N-O 3.48Å
429	E	40.2	Very low	44.9	Very low	73 Å²	73	56.9 Å²	56.9	34%	0.341	27%	0.269	S	S	.	.	H	α-helix	trans	-95	-4.3	162.2	176	-162.4	-81.5	0	0	109.7	F432 L433 I1060	E429-F432 VanDerWaalsContact C-N 3.33Å; E429-F432 HydrophobicContact CB-CB 4.41Å; E429-F432 CarbonylContact O-C 3.51Å; E429-L433 WeakPolarHBondContact O-CA 3.33Å; E429-L433 WeakPolarHBondContact O-CB 3.1Å; E429-L433 PolarHBondContact O-N 3.09Å; E429-I1060 HydrophobicContact CB-CB 3.77Å; E429-I1060 HydrophobicContact CB-CG1 3.78Å; E429-I1060 HydrophobicContact CB-CG2 3.86Å; E429-I1060 HydrophobicContact CG-CG2 4.47Å; E429-I1060 PolarHBondContact N-O 3.03Å; E429-I1060 VanDerWaalsContact N-O 3.11Å
430	A	40.3	Very low	43.5	Very low	8 Å²	8	62.4 Å²	62.4	7%	0.066	30%	0.298	C	S	.	.	H	α-helix	trans	-147.9	48.5	150.4	0	0	0	0	0	110.1	R428 L433 V434 T1061 L1062	R428-A430 VanDerWaalsContact C-N 3.32Å; A430-L433 HydrophobicContact CB-CB 4.01Å; A430-V434 HydrophobicContact CB-CB 4.26Å; A430-V434 HydrophobicContact CB-CG2 4.11Å; A430-V434 VanDerWaalsContact O-CB 3.28Å; A430-V434 WeakPolarHBondContact O-CB 3.16Å; A430-V434 WeakPolarHBondContact O-CG2 3.28Å; A430-T1061 CarbonylContact C-O 3.44Å; A430-T1061 WeakPolarHBondContact CA-O 3.35Å; A430-T1061 VanDerWaalsContact N-C 3.3Å; A430-T1061 PolarHBondContact N-O 3.17Å; A430-L1062 HydrophobicContact CB-CB 3.32Å; A430-L1062 HydrophobicContact CB-CD1 3.42Å; A430-L1062 VanDerWaalsContact CB-CD1 3.42Å; A430-L1062 HydrophobicContact CB-CG 3.45Å; A430-L1062 VanDerWaalsContact CB-CG 3.45Å; A430-L1062 WeakPolarHBondContact O-CA 3.15Å
431	S	41	Very low	42.6	Very low	31 Å²	31	64.7 Å²	64.7	22%	0.217	31%	0.309	C	S	.	.	H	α-helix		-53.7	-75.2	77.7	110.6	0	0	0	0	115.1	R427 R428 L433 V434 E435 T1061	R427-S431 WeakPolarHBondContact O-CB 3.31Å; R427-S431 PolarHBondContact O-N 3.41Å; R428-S431 WeakPolarHBondContact CA-OG 3.19Å; R428-S431 PolarHBondContact O-OG 3.05Å; R428-S431 VanDerWaalsContact O-OG 3.13Å; S431-L433 VanDerWaalsContact C-N 3.27Å; S431-L433 PolarHBondContact O-N 3.09Å; S431-V434 CarbonylContact O-C 3.59Å; S431-V434 WeakPolarHBondContact O-CA 3.43Å; S431-V434 PolarHBondContact O-N 3.28Å; S431-E435 WeakPolarHBondContact CB-OE2 3.44Å; S431-E435 WeakPolarHBondContact O-CA 3.24Å; S431-E435 WeakPolarHBondContact O-CB 3.2Å; S431-E435 VanDerWaalsContact O-CG 3.26Å; S431-E435 WeakPolarHBondContact O-CG 3.27Å; S431-E435 PolarHBondContact O-N 2.94Å; S431-E435 PolarHBondContact OG-OE2 3.25Å; S431-T1061 PolarHBondContact N-O 2.79Å
432	F	39	Very low	41.7	Very low	113 Å²	113	60.3 Å²	60.3	50%	0.496	29%	0.292	S	S	.	.	H	α-helix	trans	-45.5	-34.9	-170	-158.9	-96.7	0	0	0	117.9	R428 E429 E435 T436	R428-F432 WeakPolarHBondContact O-CB 3.2Å; R428-F432 PolarHBondContact O-N 3.15Å; E429-F432 VanDerWaalsContact C-N 3.33Å; E429-F432 HydrophobicContact CB-CB 4.41Å; E429-F432 CarbonylContact O-C 3.51Å; F432-E435 CarbonylContact O-C 3.57Å; F432-E435 VanDerWaalsContact O-C 3.22Å; F432-T436 WeakPolarHBondContact O-CA 3.16Å; F432-T436 VanDerWaalsContact O-CB 3.3Å; F432-T436 WeakPolarHBondContact O-CB 3.11Å; F432-T436 PolarHBondContact O-N 3.16Å; F432-T436 PolarHBondContact O-OG1 2.7Å
433	L	40.4	Very low	40.9	Very low	47 Å²	47	63.6 Å²	63.6	25%	0.246	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-8.7	177.2	-169.7	147.9	0	0	0	114.1	F384 E429 A430 S431 E435 I437 L1062	F384-L433 HydrophobicContact CD2-CD2 4.36Å; F384-L433 HydrophobicContact CE2-CD1 4.38Å; F384-L433 HydrophobicContact CE2-CD2 3.42Å; F384-L433 VanDerWaalsContact CE2-CD2 3.42Å; F384-L433 HydrophobicContact CZ-CD1 4.15Å; F384-L433 HydrophobicContact CZ-CD2 3.72Å; E429-L433 WeakPolarHBondContact O-CA 3.33Å; E429-L433 WeakPolarHBondContact O-CB 3.1Å; E429-L433 PolarHBondContact O-N 3.09Å; A430-L433 HydrophobicContact CB-CB 4.01Å; S431-L433 VanDerWaalsContact C-N 3.27Å; S431-L433 PolarHBondContact O-N 3.09Å; L433-E435 VanDerWaalsContact C-N 3.29Å; L433-I437 HydrophobicContact CD2-CD1 3.55Å; L433-I437 HydrophobicContact CD2-CG1 3.84Å; L433-I437 HydrophobicContact CG-CD1 4.5Å; L433-I437 HydrophobicContact CG-CG1 4.28Å; L433-I437 WeakPolarHBondContact O-CA 3.14Å; L433-I437 WeakPolarHBondContact O-CB 3.18Å; L433-I437 WeakPolarHBondContact O-CG1 3.17Å; L433-I437 PolarHBondContact O-N 3.21Å; L433-L1062 HydrophobicContact CD2-CD1 3.43Å; L433-L1062 VanDerWaalsContact CD2-CD1 3.43Å
434	V	38.4	Very low	39.6	Very low	36 Å²	36	64.1 Å²	64.1	22%	0.218	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-44.5	149.8	154.3	0	0	0	0	107.1	A430 S431 I437 F438 C1063	A430-V434 HydrophobicContact CB-CB 4.26Å; A430-V434 HydrophobicContact CB-CG2 4.11Å; A430-V434 VanDerWaalsContact O-CB 3.28Å; A430-V434 WeakPolarHBondContact O-CB 3.16Å; A430-V434 WeakPolarHBondContact O-CG2 3.28Å; S431-V434 CarbonylContact O-C 3.59Å; S431-V434 WeakPolarHBondContact O-CA 3.43Å; S431-V434 PolarHBondContact O-N 3.28Å; V434-I437 CarbonylContact O-C 3.56Å; V434-F438 HydrophobicContact CG1-CD1 4.12Å; V434-F438 HydrophobicContact CG1-CD2 4.39Å; V434-F438 HydrophobicContact CG1-CE1 4.36Å; V434-F438 HydrophobicContact CG1-CG 4.19Å; V434-F438 VanDerWaalsContact O-CA 3.3Å; V434-F438 WeakPolarHBondContact O-CA 3.14Å; V434-F438 WeakPolarHBondContact O-CB 3.37Å; V434-F438 WeakPolarHBondContact O-CD2 3.34Å; V434-F438 WeakPolarHBondContact O-CG 3.07Å; V434-F438 PolarHBondContact O-N 2.78Å; V434-C1063 HydrophobicContact CG2-CB 3.6Å
435	E	34.1	Very low	38.5	Very low	62 Å²	62	64.1 Å²	64.1	29%	0.29	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-16.4	171.1	-67.3	-173.7	90.9	0	0	114.9	S431 F432 L433 F438 L439 Q443	S431-E435 WeakPolarHBondContact CB-OE2 3.44Å; S431-E435 WeakPolarHBondContact O-CA 3.24Å; S431-E435 WeakPolarHBondContact O-CB 3.2Å; S431-E435 VanDerWaalsContact O-CG 3.26Å; S431-E435 WeakPolarHBondContact O-CG 3.27Å; S431-E435 PolarHBondContact O-N 2.94Å; S431-E435 PolarHBondContact OG-OE2 3.25Å; F432-E435 CarbonylContact O-C 3.57Å; F432-E435 VanDerWaalsContact O-C 3.22Å; L433-E435 VanDerWaalsContact C-N 3.29Å; E435-F438 CarbonylContact O-C 3.49Å; E435-L439 VanDerWaalsContact O-CB 3.25Å; E435-L439 WeakPolarHBondContact O-CB 3Å; E435-L439 WeakPolarHBondContact O-CD1 3.25Å; E435-L439 WeakPolarHBondContact O-CG 3.49Å; E435-L439 PolarHBondContact O-N 3.32Å; E435-Q443 HydrophobicContact CB-CG 4.5Å; E435-Q443 HydrophobicContact CG-CG 4.49Å; E435-Q443 PolarHBondContact OE1-NE2 2.92Å
436	T	37.8	Very low	38.3	Very low	39 Å²	39	70.1 Å²	70.1	24%	0.239	35%	0.347	C	S	.	.	H	α-helix	trans	-94.3	-43.8	166.6	-60.7	0	0	0	0	108.5	F432 F438 L439 I440	F432-T436 WeakPolarHBondContact O-CA 3.16Å; F432-T436 VanDerWaalsContact O-CB 3.3Å; F432-T436 WeakPolarHBondContact O-CB 3.11Å; F432-T436 PolarHBondContact O-N 3.16Å; F432-T436 PolarHBondContact O-OG1 2.7Å; T436-F438 PolarHBondContact O-N 3.08Å; T436-L439 PolarHBondContact O-N 2.76Å; T436-I440 HydrophobicContact CG2-CD1 3.95Å; T436-I440 WeakPolarHBondContact O-CB 3.46Å; T436-I440 WeakPolarHBondContact O-CD1 3.28Å; T436-I440 WeakPolarHBondContact O-CG1 3.39Å; T436-I440 PolarHBondContact O-N 3.27Å
437	I	37.2	Very low	38	Very low	44 Å²	44	68.8 Å²	68.8	23%	0.226	34%	0.34	C	S	.	.	H	α-helix	trans	-62.8	-5.4	159.8	-61.7	178.8	0	0	0	111.1	F379 L433 V434 I441	F379-I437 HydrophobicContact CE1-CD1 4.24Å; F379-I437 HydrophobicContact CZ-CD1 4.49Å; F379-I437 HydrophobicContact CZ-CG2 4.38Å; L433-I437 HydrophobicContact CD2-CD1 3.55Å; L433-I437 HydrophobicContact CD2-CG1 3.84Å; L433-I437 HydrophobicContact CG-CD1 4.5Å; L433-I437 HydrophobicContact CG-CG1 4.28Å; L433-I437 WeakPolarHBondContact O-CA 3.14Å; L433-I437 WeakPolarHBondContact O-CB 3.18Å; L433-I437 WeakPolarHBondContact O-CG1 3.17Å; L433-I437 PolarHBondContact O-N 3.21Å; V434-I437 CarbonylContact O-C 3.56Å; I437-I441 HydrophobicContact CG2-CD1 3.67Å; I437-I441 HydrophobicContact CG2-CG1 4.08Å; I437-I441 WeakPolarHBondContact O-CA 2.99Å; I437-I441 WeakPolarHBondContact O-CB 3.27Å; I437-I441 WeakPolarHBondContact O-CG1 3.33Å; I437-I441 PolarHBondContact O-N 3.15Å
438	F	33.9	Very low	38.3	Very low	82 Å²	82	66.9 Å²	66.9	36%	0.36	34%	0.341	S	S	.	.	H	α-helix	trans	-107.1	-39.5	172.7	-93.4	-157.8	0	0	0	109.1	V434 E435 T436 I440 I441 G442 Q443	V434-F438 HydrophobicContact CG1-CD1 4.12Å; V434-F438 HydrophobicContact CG1-CD2 4.39Å; V434-F438 HydrophobicContact CG1-CE1 4.36Å; V434-F438 HydrophobicContact CG1-CG 4.19Å; V434-F438 VanDerWaalsContact O-CA 3.3Å; V434-F438 WeakPolarHBondContact O-CA 3.14Å; V434-F438 WeakPolarHBondContact O-CB 3.37Å; V434-F438 WeakPolarHBondContact O-CD2 3.34Å; V434-F438 WeakPolarHBondContact O-CG 3.07Å; V434-F438 PolarHBondContact O-N 2.78Å; E435-F438 CarbonylContact O-C 3.49Å; T436-F438 PolarHBondContact O-N 3.08Å; F438-I440 PolarHBondContact O-N 3.41Å; F438-I441 CarbonylContact O-C 3.43Å; F438-I441 PolarHBondContact O-N 3.04Å; F438-G442 VanDerWaalsContact CA-N 3.27Å; F438-G442 WeakPolarHBondContact CB-O 3.38Å; F438-G442 WeakPolarHBondContact CD1-O 3.32Å; F438-G442 VanDerWaalsContact CG-CA 3.43Å; F438-G442 VanDerWaalsContact CG-O 3.27Å; F438-G442 WeakPolarHBondContact CG-O 3.31Å; F438-G442 CarbonylContact O-C 3.6Å; F438-G442 WeakPolarHBondContact O-CA 3.22Å; F438-G442 PolarHBondContact O-N 3.17Å; F438-Q443 HydrophobicContact CB-CB 3.94Å; F438-Q443 PolarHBondContact O-N 3.49Å
439	L	36.9	Very low	38.8	Very low	80 Å²	80	61.6 Å²	61.6	42%	0.419	32%	0.321	S	S	.	.	H	α-helix	trans	-55	-23.7	163.9	-81.7	157.5	0	0	0	111	E435 T436 Q443	E435-L439 VanDerWaalsContact O-CB 3.25Å; E435-L439 WeakPolarHBondContact O-CB 3Å; E435-L439 WeakPolarHBondContact O-CD1 3.25Å; E435-L439 WeakPolarHBondContact O-CG 3.49Å; E435-L439 PolarHBondContact O-N 3.32Å; T436-L439 PolarHBondContact O-N 2.76Å; L439-Q443 HydrophobicContact CD2-CB 4.35Å; L439-Q443 HydrophobicContact CG-CB 3.93Å; L439-Q443 HydrophobicContact CG-CG 4.47Å; L439-Q443 VanDerWaalsContact CG-OE1 3.31Å
440	I	34.9	Very low	39.6	Very low	122 Å²	122	63.3 Å²	63.3	63%	0.626	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-30.9	170.9	-58.5	164.7	0	0	0	113.4	T436 F438	T436-I440 HydrophobicContact CG2-CD1 3.95Å; T436-I440 WeakPolarHBondContact O-CB 3.46Å; T436-I440 WeakPolarHBondContact O-CD1 3.28Å; T436-I440 WeakPolarHBondContact O-CG1 3.39Å; T436-I440 PolarHBondContact O-N 3.27Å; F438-I440 PolarHBondContact O-N 3.41Å
441	I	42.6	Very low	40.4	Very low	89 Å²	89	64.7 Å²	64.7	46%	0.456	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.7	22.5	-174.2	-28	176.5	0	0	0	116.3	L375 I437 F438	L375-I441 HydrophobicContact CD2-CD1 4.07Å; I437-I441 HydrophobicContact CG2-CD1 3.67Å; I437-I441 HydrophobicContact CG2-CG1 4.08Å; I437-I441 WeakPolarHBondContact O-CA 2.99Å; I437-I441 WeakPolarHBondContact O-CB 3.27Å; I437-I441 WeakPolarHBondContact O-CG1 3.33Å; I437-I441 PolarHBondContact O-N 3.15Å; F438-I441 CarbonylContact O-C 3.43Å; F438-I441 PolarHBondContact O-N 3.04Å
442	G	38.2	Very low	41.7	Very low	11 Å²	11	63.9 Å²	63.9	11%	0.113	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	153.4	19.7	-174.1	0	0	0	0	0	122.8	F438 I444 A445	F438-G442 VanDerWaalsContact CA-N 3.27Å; F438-G442 WeakPolarHBondContact CB-O 3.38Å; F438-G442 WeakPolarHBondContact CD1-O 3.32Å; F438-G442 VanDerWaalsContact CG-CA 3.43Å; F438-G442 VanDerWaalsContact CG-O 3.27Å; F438-G442 WeakPolarHBondContact CG-O 3.31Å; F438-G442 CarbonylContact O-C 3.6Å; F438-G442 WeakPolarHBondContact O-CA 3.22Å; F438-G442 PolarHBondContact O-N 3.17Å; G442-I444 VanDerWaalsContact C-N 3.29Å; G442-I444 CarbonylContact C-O 3.6Å; G442-I444 WeakPolarHBondContact CA-O 3.35Å; G442-I444 CarbonylContact O-C 3.33Å; G442-A445 WeakPolarHBondContact O-CA 3.27Å; G442-A445 PolarHBondContact O-N 2.97Å
443	Q	37.9	Very low	42.6	Very low	81 Å²	81	64.3 Å²	64.3	38%	0.379	35%	0.348	S	S	.	.			trans	-95.9	-1.5	169.3	-151.2	-153.2	47.1	0	0	109.7	E435 F438 L439 A445	E435-Q443 HydrophobicContact CB-CG 4.5Å; E435-Q443 HydrophobicContact CG-CG 4.49Å; E435-Q443 PolarHBondContact OE1-NE2 2.92Å; F438-Q443 HydrophobicContact CB-CB 3.94Å; F438-Q443 PolarHBondContact O-N 3.49Å; L439-Q443 HydrophobicContact CD2-CB 4.35Å; L439-Q443 HydrophobicContact CG-CB 3.93Å; L439-Q443 HydrophobicContact CG-CG 4.47Å; L439-Q443 VanDerWaalsContact CG-OE1 3.31Å; Q443-A445 PolarHBondContact O-N 3.31Å
444	I	26.7	Very low	42.6	Very low	72 Å²	72	68.7 Å²	68.7	37%	0.369	37%	0.367	S	S	.	.	S	Bend		-53.8	74.2	115.5	-4.2	-180	0	0	0	110.3	G442 L447 W460	G442-I444 VanDerWaalsContact C-N 3.29Å; G442-I444 CarbonylContact C-O 3.6Å; G442-I444 WeakPolarHBondContact CA-O 3.35Å; G442-I444 CarbonylContact O-C 3.33Å; I444-L447 VanDerWaalsContact C-CD2 3.47Å; I444-L447 HydrophobicContact CB-CD1 4.48Å; I444-L447 HydrophobicContact CB-CD2 4.24Å; I444-L447 HydrophobicContact CG2-CD2 3.96Å; I444-L447 WeakPolarHBondContact O-CD1 3.2Å; I444-L447 WeakPolarHBondContact O-CD2 3.36Å; I444-L447 VanDerWaalsContact O-CG 3.29Å; I444-L447 WeakPolarHBondContact O-CG 3.14Å; I444-W460 HydrophobicContact CB-CB 4.02Å; I444-W460 HydrophobicContact CB-CD2 4.31Å; I444-W460 HydrophobicContact CB-CE3 4.45Å; I444-W460 HydrophobicContact CB-CG 4.22Å; I444-W460 HydrophobicContact CD1-CB 3.6Å; I444-W460 HydrophobicContact CD1-CD2 4.39Å; I444-W460 HydrophobicContact CD1-CG 3.66Å; I444-W460 HydrophobicContact CG1-CB 4.35Å; I444-W460 HydrophobicContact CG1-CG 4.49Å; I444-W460 HydrophobicContact CG2-CB 3.9Å; I444-W460 HydrophobicContact CG2-CD2 3.22Å; I444-W460 HydrophobicContact CG2-CE3 3.25Å; I444-W460 HydrophobicContact CG2-CG 3.59Å; I444-W460 HydrophobicContact CG2-CH2 3.91Å; I444-W460 HydrophobicContact CG2-CZ2 3.95Å; I444-W460 HydrophobicContact CG2-CZ3 3.6Å
445	A	29.6	Very low	43.1	Very low	57 Å²	57	71 Å²	71	47%	0.471	38%	0.375	S	S	.	.			trans	-80.1	142.9	-163.1	0	0	0	0	0	115.3	G442 Q443 L447	G442-A445 WeakPolarHBondContact O-CA 3.27Å; G442-A445 PolarHBondContact O-N 2.97Å; Q443-A445 PolarHBondContact O-N 3.31Å; A445-L447 VanDerWaalsContact O-CA 3.29Å; A445-L447 WeakPolarHBondContact O-CA 3.5Å; A445-L447 WeakPolarHBondContact O-CD2 3.3Å; A445-L447 WeakPolarHBondContact O-CG 3.33Å; A445-L447 PolarHBondContact O-N 3.41Å; A445-L447 VanDerWaalsContact O-N 3.12Å
446	K	40	Very low	43.9	Very low	169 Å²	169	71.7 Å²	71.7	74%	0.735	38%	0.383	S	S	*	.	S	Bend	trans	13.1	83.5	172.1	-88.4	-172.8	177.8	175.1	0	113.2	T448	K446-T448 PolarHBondContact O-N 3.38Å
447	L	43.2	Very low	45	Very low	11 Å²	11	71.8 Å²	71.8	6%	0.058	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	85	-145.6	-70.4	161.4	0	0	0	111.5	I444 A445 M457 R459 W460 L463	I444-L447 VanDerWaalsContact C-CD2 3.47Å; I444-L447 HydrophobicContact CB-CD1 4.48Å; I444-L447 HydrophobicContact CB-CD2 4.24Å; I444-L447 HydrophobicContact CG2-CD2 3.96Å; I444-L447 WeakPolarHBondContact O-CD1 3.2Å; I444-L447 WeakPolarHBondContact O-CD2 3.36Å; I444-L447 VanDerWaalsContact O-CG 3.29Å; I444-L447 WeakPolarHBondContact O-CG 3.14Å; A445-L447 VanDerWaalsContact O-CA 3.29Å; A445-L447 WeakPolarHBondContact O-CA 3.5Å; A445-L447 WeakPolarHBondContact O-CD2 3.3Å; A445-L447 WeakPolarHBondContact O-CG 3.33Å; A445-L447 PolarHBondContact O-N 3.41Å; A445-L447 VanDerWaalsContact O-N 3.12Å; L447-M457 WeakPolarHBondContact CA-O 3.4Å; L447-M457 WeakPolarHBondContact CB-O 3.44Å; L447-M457 PolarHBondContact N-O 3.09Å; L447-M457 PolarHBondContact O-N 3.17Å; L447-R459 WeakPolarHBondContact CD1-O 3.44Å; L447-W460 HydrophobicContact CD1-CB 4.17Å; L447-W460 HydrophobicContact CD2-CE3 3.91Å; L447-W460 HydrophobicContact CD2-CZ3 4.19Å; L447-L463 HydrophobicContact CB-CB 3.54Å; L447-L463 HydrophobicContact CB-CD2 3.64Å; L447-L463 HydrophobicContact CB-CG 4.08Å; L447-L463 HydrophobicContact CD1-CB 4.4Å; L447-L463 HydrophobicContact CD2-CB 4.38Å; L447-L463 HydrophobicContact CD2-CD2 3.55Å; L447-L463 HydrophobicContact CG-CB 4.36Å; L447-L463 HydrophobicContact CG-CD2 4.22Å
448	T	49.7	Very low	45.6	Very low	67 Å²	67	79.7 Å²	79.7	41%	0.411	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	147.6	164.6	48.1	0	0	0	0	110.3	K446 V456 L463	K446-T448 PolarHBondContact O-N 3.38Å; T448-V456 HydrophobicContact CG2-CG2 4.15Å; T448-L463 VanDerWaalsContact C-CD1 3.46Å; T448-L463 WeakPolarHBondContact O-CD1 3.09Å; T448-L463 WeakPolarHBondContact O-CD2 3.49Å
449	C	52.5	Low	46.7	Very low	0 Å²	0	84.6 Å²	84.6	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	124.4	168.3	-174.1	0	0	0	0	107.8	L451 C452 L463 V467 H470	C449-L451 PolarHBondContact O-N 2.83Å; C449-C452 HydrophobicContact CB-CB 4.22Å; C449-C452 CarbonylContact O-C 3.52Å; C449-C452 PolarHBondContact O-N 2.89Å; C449-L463 HydrophobicContact CB-CD1 3.69Å; C449-V467 HydrophobicContact CB-CG2 4.06Å; C449-V467 WeakPolarHBondContact SG-CG2 3.22Å; C449-H470 PolarHBondContact SG-CD2 3.37Å; C449-H470 PolarHBondContact SG-NE2 2.97Å; C449-H470 VanDerWaalsContact SG-NE2 3.4Å
450	S	57.2	Low	47.5	Very low	108 Å²	108	85.7 Å²	85.7	76%	0.755	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	3	173	50.1	0	0	0	0	114.5
451	L	57.9	Low	48.7	Very low	37 Å²	37	85.9 Å²	85.9	19%	0.194	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-0.6	-176.9	-55.2	149.7	0	0	0	111.3	G304 I305 C449 H470 F534	G304-L451 WeakPolarHBondContact O-CD1 3.05Å; G304-L451 WeakPolarHBondContact O-CD2 3.29Å; I305-L451 HydrophobicContact CB-CD1 4.11Å; I305-L451 HydrophobicContact CG1-CD1 4.13Å; I305-L451 HydrophobicContact CG2-CD1 3.75Å; C449-L451 PolarHBondContact O-N 2.83Å; L451-H470 VanDerWaalsContact CB-CE1 3.48Å; L451-H470 WeakPolarHBondContact CB-CE1 3.42Å; L451-H470 VanDerWaalsContact CB-ND1 3.26Å; L451-H470 WeakPolarHBondContact CB-ND1 3.46Å; L451-H470 HydrophobicContact CD1-CB 3.78Å; L451-H470 PolarHBondContact O-CE1 2.87Å; L451-F534 WeakPolarHBondContact O-CE2 3.08Å
452	C	67.1	Low	49.7	Very low	15 Å²	15	84 Å²	84	10%	0.101	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	101.9	176.3	-178	0	0	0	0	112.3	C449 H466 H470	C449-C452 HydrophobicContact CB-CB 4.22Å; C449-C452 CarbonylContact O-C 3.52Å; C449-C452 PolarHBondContact O-N 2.89Å; C452-H466 VanDerWaalsContact CB-CE1 3.42Å; C452-H466 WeakPolarHBondContact CB-CE1 3.31Å; C452-H466 WeakPolarHBondContact CB-NE2 3.4Å; C452-H470 WeakPolarHBondContact CB-NE2 3.32Å
453	D	57.7	Low	51	Low	122 Å²	122	83.9 Å²	83.9	65%	0.652	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	-9.6	-176.7	-63.7	-70.4	0	0	0	115.3	K455	D453-K455 PolarHBondContact O-N 3Å; D453-K455 VanDerWaalsContact O-N 3.08Å
454	E	41.8	Very low	52.6	Low	138 Å²	138	81.7 Å²	81.7	65%	0.645	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	-11.8	179.2	-71.7	-163.1	130	0	0	114	S300	S300-E454 WeakPolarHBondContact CA-OE2 3.39Å; S300-E454 VanDerWaalsContact CB-OE2 3.25Å; S300-E454 WeakPolarHBondContact CB-OE2 3.1Å
455	K	47.6	Very low	54.5	Low	85 Å²	85	78.8 Å²	78.8	37%	0.37	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	73.7	-175.4	-69.2	178.1	-172.4	158.1	0	113	D453 M457	D453-K455 PolarHBondContact O-N 3Å; D453-K455 VanDerWaalsContact O-N 3.08Å; K455-M457 HydrophobicContact CB-CE 3.97Å; K455-M457 PolarHBondContact O-N 3.3Å; K455-M457 VanDerWaalsContact O-N 3.09Å
456	V	52.5	Low	56.4	Low	76 Å²	76	76.3 Å²	76.3	46%	0.461	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	114.3	159.3	-179.3	0	0	0	0	109.3	T448 W458	T448-V456 HydrophobicContact CG2-CG2 4.15Å; V456-W458 HydrophobicContact CG1-CZ2 4.39Å; V456-W458 PolarHBondContact O-NE1 3.08Å
457	M	60.5	Low	57.7	Low	41 Å²	41	69.1 Å²	69.1	20%	0.202	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	156	178.4	-82.7	179.7	-68.5	0	0	113	L447 K455 H466	L447-M457 WeakPolarHBondContact CA-O 3.4Å; L447-M457 WeakPolarHBondContact CB-O 3.44Å; L447-M457 PolarHBondContact N-O 3.09Å; L447-M457 PolarHBondContact O-N 3.17Å; K455-M457 HydrophobicContact CB-CE 3.97Å; K455-M457 PolarHBondContact O-N 3.3Å; K455-M457 VanDerWaalsContact O-N 3.09Å; M457-H466 HydrophobicContact CE-CB 3.34Å; M457-H466 WeakPolarHBondContact CE-CD2 2.83Å
458	W	48.7	Very low	59	Low	210 Å²	210	69.5 Å²	69.5	80%	0.795	34%	0.344	S	S	*	.	S	Bend	trans	-114.8	14.9	-160.9	-51.4	76.6	0	0	0	112.1	V456	V456-W458 HydrophobicContact CG1-CZ2 4.39Å; V456-W458 PolarHBondContact O-NE1 3.08Å
459	R	58.4	Low	59.4	Low	186 Å²	186	70.7 Å²	70.7	70%	0.702	35%	0.345	S	S	*	.	S	Bend	trans	-155.7	139.9	-178.6	-67.4	-171	174.3	105.7	1.4	111.4	L447 N461 S462 L463	L447-R459 WeakPolarHBondContact CD1-O 3.44Å; R459-N461 PolarHBondContact O-N 3.15Å; R459-S462 WeakPolarHBondContact O-CB 3.22Å; R459-S462 PolarHBondContact O-N 3.3Å; R459-L463 PolarHBondContact O-N 3.48Å
460	W	52.2	Low	60	Low	103 Å²	103	70.9 Å²	70.9	39%	0.39	35%	0.345	S	S	.	.	H	α-helix	trans	-57.1	-47.8	179.1	-178.9	-137.8	0	0	0	112.1	I444 L447 S462 L463 L464	I444-W460 HydrophobicContact CB-CB 4.02Å; I444-W460 HydrophobicContact CB-CD2 4.31Å; I444-W460 HydrophobicContact CB-CE3 4.45Å; I444-W460 HydrophobicContact CB-CG 4.22Å; I444-W460 HydrophobicContact CD1-CB 3.6Å; I444-W460 HydrophobicContact CD1-CD2 4.39Å; I444-W460 HydrophobicContact CD1-CG 3.66Å; I444-W460 HydrophobicContact CG1-CB 4.35Å; I444-W460 HydrophobicContact CG1-CG 4.49Å; I444-W460 HydrophobicContact CG2-CB 3.9Å; I444-W460 HydrophobicContact CG2-CD2 3.22Å; I444-W460 HydrophobicContact CG2-CE3 3.25Å; I444-W460 HydrophobicContact CG2-CG 3.59Å; I444-W460 HydrophobicContact CG2-CH2 3.91Å; I444-W460 HydrophobicContact CG2-CZ2 3.95Å; I444-W460 HydrophobicContact CG2-CZ3 3.6Å; L447-W460 HydrophobicContact CD1-CB 4.17Å; L447-W460 HydrophobicContact CD2-CE3 3.91Å; L447-W460 HydrophobicContact CD2-CZ3 4.19Å; W460-S462 PolarHBondContact O-N 3.35Å; W460-L463 HydrophobicContact CE3-CB 4.38Å; W460-L463 HydrophobicContact CE3-CD2 4.27Å; W460-L463 HydrophobicContact CZ3-CD2 4.03Å; W460-L463 CarbonylContact O-C 3.59Å; W460-L463 PolarHBondContact O-N 2.75Å; W460-L464 HydrophobicContact CD2-CB 3.86Å; W460-L464 HydrophobicContact CE3-CB 4.08Å; W460-L464 HydrophobicContact CG-CB 4.34Å; W460-L464 HydrophobicContact CZ2-CD1 4.3Å; W460-L464 VanDerWaalsContact O-CB 3.28Å; W460-L464 WeakPolarHBondContact O-CB 3.47Å; W460-L464 PolarHBondContact O-N 2.84Å
461	N	59.7	Low	59.9	Low	125 Å²	125	66.2 Å²	66.2	67%	0.668	31%	0.312	S	S	*	.	H	α-helix	trans	-62.2	-22.9	-178.6	-60	-9.4	0	0	0	112.8	R459 A465	R459-N461 PolarHBondContact O-N 3.15Å; N461-A465 WeakPolarHBondContact O-CB 3.41Å; N461-A465 PolarHBondContact O-N 2.81Å
462	S	65.5	Low	59.8	Low	49 Å²	49	66.8 Å²	66.8	34%	0.343	33%	0.326	S	S	.	.	H	α-helix	trans	-81.2	-40.9	172.6	-56.4	0	0	0	0	112	R459 W460 H466	R459-S462 WeakPolarHBondContact O-CB 3.22Å; R459-S462 PolarHBondContact O-N 3.3Å; W460-S462 PolarHBondContact O-N 3.35Å; S462-H466 WeakPolarHBondContact O-CB 3.45Å; S462-H466 PolarHBondContact O-N 3.13Å
463	L	64.7	Low	58.9	Low	10 Å²	10	66.3 Å²	66.3	5%	0.052	32%	0.324	C	S	.	.	H	α-helix	trans	-69.8	-58.1	172.1	178.3	67.4	0	0	0	112	L447 T448 C449 R459 W460 A465 H466 V467	L447-L463 HydrophobicContact CB-CB 3.54Å; L447-L463 HydrophobicContact CB-CD2 3.64Å; L447-L463 HydrophobicContact CB-CG 4.08Å; L447-L463 HydrophobicContact CD1-CB 4.4Å; L447-L463 HydrophobicContact CD2-CB 4.38Å; L447-L463 HydrophobicContact CD2-CD2 3.55Å; L447-L463 HydrophobicContact CG-CB 4.36Å; L447-L463 HydrophobicContact CG-CD2 4.22Å; T448-L463 VanDerWaalsContact C-CD1 3.46Å; T448-L463 WeakPolarHBondContact O-CD1 3.09Å; T448-L463 WeakPolarHBondContact O-CD2 3.49Å; C449-L463 HydrophobicContact CB-CD1 3.69Å; R459-L463 PolarHBondContact O-N 3.48Å; W460-L463 HydrophobicContact CE3-CB 4.38Å; W460-L463 HydrophobicContact CE3-CD2 4.27Å; W460-L463 HydrophobicContact CZ3-CD2 4.03Å; W460-L463 CarbonylContact O-C 3.59Å; W460-L463 PolarHBondContact O-N 2.75Å; L463-A465 CarbonylContact O-C 3.59Å; L463-A465 PolarHBondContact O-N 3.11Å; L463-H466 CarbonylContact O-C 3.46Å; L463-H466 VanDerWaalsContact O-CA 3.31Å; L463-H466 WeakPolarHBondContact O-CA 3.07Å; L463-H466 WeakPolarHBondContact O-CB 3.36Å; L463-H466 PolarHBondContact O-N 3.34Å; L463-V467 HydrophobicContact CD1-CG2 3.47Å; L463-V467 VanDerWaalsContact CD1-CG2 3.47Å; L463-V467 HydrophobicContact CD2-CG2 4.21Å; L463-V467 HydrophobicContact CG-CB 4.48Å; L463-V467 HydrophobicContact CG-CG2 3.62Å; L463-V467 WeakPolarHBondContact O-CB 3.43Å; L463-V467 PolarHBondContact O-N 2.8Å
464	L	71.3	Confident	59.7	Low	35 Å²	35	65.1 Å²	65.1	18%	0.183	31%	0.313	C	S	.	.	H	α-helix	trans	-50.4	-32.9	177	-175.7	61.9	0	0	0	111.7	W460 V467 R468	W460-L464 HydrophobicContact CD2-CB 3.86Å; W460-L464 HydrophobicContact CE3-CB 4.08Å; W460-L464 HydrophobicContact CG-CB 4.34Å; W460-L464 HydrophobicContact CZ2-CD1 4.3Å; W460-L464 VanDerWaalsContact O-CB 3.28Å; W460-L464 WeakPolarHBondContact O-CB 3.47Å; W460-L464 PolarHBondContact O-N 2.84Å; L464-V467 HydrophobicContact CD1-CG1 4.44Å; L464-R468 WeakPolarHBondContact O-CB 3.47Å; L464-R468 WeakPolarHBondContact O-CD 3.25Å; L464-R468 WeakPolarHBondContact O-CG 3.48Å; L464-R468 PolarHBondContact O-N 3.08Å
465	A	65.6	Low	60.5	Low	10 Å²	10	58.6 Å²	58.6	8%	0.083	28%	0.283	C	S	.	.	H	α-helix	trans	-67.9	-50.6	167.8	0	0	0	0	0	112.9	N461 L463 R468 Q469 V486 D487	N461-A465 WeakPolarHBondContact O-CB 3.41Å; N461-A465 PolarHBondContact O-N 2.81Å; L463-A465 CarbonylContact O-C 3.59Å; L463-A465 PolarHBondContact O-N 3.11Å; A465-R468 CarbonylContact O-C 3.47Å; A465-R468 WeakPolarHBondContact O-CA 3.44Å; A465-R468 WeakPolarHBondContact O-CB 3.47Å; A465-R468 PolarHBondContact O-N 2.73Å; A465-Q469 PolarHBondContact O-N 3.37Å; A465-V486 VanDerWaalsContact C-CG1 3.48Å; A465-V486 HydrophobicContact CB-CG1 3.77Å; A465-V486 WeakPolarHBondContact O-CG1 3.36Å; A465-D487 HydrophobicContact CB-CB 4.02Å
466	H	70.3	Confident	61.3	Low	6 Å²	6	56.9 Å²	56.9	3%	0.028	27%	0.274	C	S	.	.	H	α-helix	trans	-56.8	-52.1	174.8	175.7	15.8	0	0	0	112.7	C452 M457 S462 L463 R468 Q469 H470	C452-H466 VanDerWaalsContact CB-CE1 3.42Å; C452-H466 WeakPolarHBondContact CB-CE1 3.31Å; C452-H466 WeakPolarHBondContact CB-NE2 3.4Å; M457-H466 HydrophobicContact CE-CB 3.34Å; M457-H466 WeakPolarHBondContact CE-CD2 2.83Å; S462-H466 WeakPolarHBondContact O-CB 3.45Å; S462-H466 PolarHBondContact O-N 3.13Å; L463-H466 CarbonylContact O-C 3.46Å; L463-H466 VanDerWaalsContact O-CA 3.31Å; L463-H466 WeakPolarHBondContact O-CA 3.07Å; L463-H466 WeakPolarHBondContact O-CB 3.36Å; L463-H466 PolarHBondContact O-N 3.34Å; H466-R468 PolarHBondContact O-N 2.88Å; H466-Q469 WeakPolarHBondContact O-CA 3.34Å; H466-Q469 WeakPolarHBondContact O-CB 3.4Å; H466-Q469 PolarHBondContact O-N 3.21Å; H466-H470 AromaticContact CE1-CD2 3.87Å; H466-H470 AromaticContact CE1-NE2 3.12Å; H466-H470 PolarHBondContact CE1-NE2 3.43Å; H466-H470 AromaticContact ND1-CD2 3.78Å; H466-H470 AromaticContact ND1-NE2 3.5Å; H466-H470 PolarHBondContact ND1-NE2 2.92Å; H466-H470 PolarHBondContact O-CD2 3.25Å; H466-H470 VanDerWaalsContact O-CD2 3.22Å; H466-H470 PolarHBondContact O-N 3.37Å
467	V	67.1	Low	62	Low	18 Å²	18	56.9 Å²	56.9	11%	0.109	27%	0.269	C	S	.	.	H	α-helix	trans	-49.4	-42	167.4	161.9	0	0	0	0	109.9	I305 C449 L463 L464 Q469 H470 E471	I305-V467 HydrophobicContact CD1-CB 4.18Å; I305-V467 HydrophobicContact CD1-CG1 3.12Å; I305-V467 VanDerWaalsContact CD1-O 3.24Å; I305-V467 WeakPolarHBondContact CD1-O 3.39Å; I305-V467 HydrophobicContact CG1-CG1 3.75Å; I305-V467 WeakPolarHBondContact CG1-O 3.2Å; C449-V467 HydrophobicContact CB-CG2 4.06Å; C449-V467 WeakPolarHBondContact SG-CG2 3.22Å; L463-V467 HydrophobicContact CD1-CG2 3.47Å; L463-V467 VanDerWaalsContact CD1-CG2 3.47Å; L463-V467 HydrophobicContact CD2-CG2 4.21Å; L463-V467 HydrophobicContact CG-CB 4.48Å; L463-V467 HydrophobicContact CG-CG2 3.62Å; L463-V467 WeakPolarHBondContact O-CB 3.43Å; L463-V467 PolarHBondContact O-N 2.8Å; L464-V467 HydrophobicContact CD1-CG1 4.44Å; V467-Q469 VanDerWaalsContact C-N 3.3Å; V467-Q469 PolarHBondContact O-N 3.12Å; V467-H470 CarbonylContact O-C 3.49Å; V467-H470 WeakPolarHBondContact O-CA 3.28Å; V467-H470 WeakPolarHBondContact O-CB 3.33Å; V467-H470 PolarHBondContact O-N 3.33Å; V467-E471 PolarHBondContact O-N 3.12Å
468	R	70.9	Confident	62.7	Low	19 Å²	19	55 Å²	55	7%	0.072	26%	0.26	C	S	.	.	H	α-helix	trans	-67.5	-17.2	171.2	-81	160.9	166.3	-178.5	1.6	116.8	L464 A465 H466 H470 E471 V486	L464-R468 WeakPolarHBondContact O-CB 3.47Å; L464-R468 WeakPolarHBondContact O-CD 3.25Å; L464-R468 WeakPolarHBondContact O-CG 3.48Å; L464-R468 PolarHBondContact O-N 3.08Å; A465-R468 CarbonylContact O-C 3.47Å; A465-R468 WeakPolarHBondContact O-CA 3.44Å; A465-R468 WeakPolarHBondContact O-CB 3.47Å; A465-R468 PolarHBondContact O-N 2.73Å; H466-R468 PolarHBondContact O-N 2.88Å; R468-H470 VanDerWaalsContact C-N 3.27Å; R468-E471 HydrophobicContact CB-CB 4.42Å; R468-E471 HydrophobicContact CG-CB 4.22Å; R468-E471 WeakPolarHBondContact CG-OE2 3.26Å; R468-E471 IonicContact NE-OE2 3.65Å; R468-E471 PolarHBondContact O-N 2.82Å; R468-V486 HydrophobicContact CB-CG1 3.91Å
469	Q	58	Low	63.5	Low	92 Å²	92	49.5 Å²	49.5	43%	0.43	25%	0.246	S	C	.	.	H	α-helix	trans	-74.6	-25	164.8	-59.8	166.1	12.6	0	0	111.1	A303 A465 H466 V467 V486	A303-Q469 WeakPolarHBondContact CB-O 3.41Å; A465-Q469 PolarHBondContact O-N 3.37Å; H466-Q469 WeakPolarHBondContact O-CA 3.34Å; H466-Q469 WeakPolarHBondContact O-CB 3.4Å; H466-Q469 PolarHBondContact O-N 3.21Å; V467-Q469 VanDerWaalsContact C-N 3.3Å; V467-Q469 PolarHBondContact O-N 3.12Å; Q469-V486 HydrophobicContact CG-CG1 3.93Å; Q469-V486 HydrophobicContact CG-CG2 3.76Å
470	H	66	Low	63.7	Low	4 Å²	4	44.5 Å²	44.5	2%	0.019	23%	0.233	C	C	.	.	H	α-helix	trans	-74.3	-35.4	163.4	-58.3	-95.9	0	0	0	112.1	F302 A303 G304 I305 C449 L451 C452 H466 V467 R468 G472	F302-H470 PolarHBondContact O-CE1 2.94Å; F302-H470 PolarHBondContact O-ND1 2.85Å; F302-H470 VanDerWaalsContact O-ND1 3.17Å; A303-H470 VanDerWaalsContact C-CB 3.49Å; A303-H470 VanDerWaalsContact CA-ND1 3.25Å; A303-H470 WeakPolarHBondContact CA-ND1 3.37Å; A303-H470 PolarHBondContact O-ND1 3.17Å; G304-H470 CarbonylContact C-O 3.59Å; G304-H470 WeakPolarHBondContact CA-O 3.21Å; G304-H470 VanDerWaalsContact N-C 3.34Å; G304-H470 VanDerWaalsContact N-CB 3.29Å; G304-H470 PolarHBondContact N-O 2.9Å; I305-H470 HydrophobicContact CG1-CB 3.74Å; I305-H470 PolarHBondContact N-O 2.77Å; I305-H470 VanDerWaalsContact N-O 3.13Å; C449-H470 PolarHBondContact SG-CD2 3.37Å; C449-H470 PolarHBondContact SG-NE2 2.97Å; C449-H470 VanDerWaalsContact SG-NE2 3.4Å; L451-H470 VanDerWaalsContact CB-CE1 3.48Å; L451-H470 WeakPolarHBondContact CB-CE1 3.42Å; L451-H470 VanDerWaalsContact CB-ND1 3.26Å; L451-H470 WeakPolarHBondContact CB-ND1 3.46Å; L451-H470 HydrophobicContact CD1-CB 3.78Å; L451-H470 PolarHBondContact O-CE1 2.87Å; C452-H470 WeakPolarHBondContact CB-NE2 3.32Å; H466-H470 AromaticContact CE1-CD2 3.87Å; H466-H470 AromaticContact CE1-NE2 3.12Å; H466-H470 PolarHBondContact CE1-NE2 3.43Å; H466-H470 AromaticContact ND1-CD2 3.78Å; H466-H470 AromaticContact ND1-NE2 3.5Å; H466-H470 PolarHBondContact ND1-NE2 2.92Å; H466-H470 PolarHBondContact O-CD2 3.25Å; H466-H470 VanDerWaalsContact O-CD2 3.22Å; H466-H470 PolarHBondContact O-N 3.37Å; V467-H470 CarbonylContact O-C 3.49Å; V467-H470 WeakPolarHBondContact O-CA 3.28Å; V467-H470 WeakPolarHBondContact O-CB 3.33Å; V467-H470 PolarHBondContact O-N 3.33Å; R468-H470 VanDerWaalsContact C-N 3.27Å; H470-G472 VanDerWaalsContact C-N 3.29Å; H470-G472 PolarHBondContact O-N 3.32Å; H470-G472 VanDerWaalsContact O-N 3.11Å
471	E	53.3	Low	64.5	Low	10 Å²	10	42.2 Å²	42.2	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-24.8	-167.2	-165.1	139.2	-120	0	0	115.8	I305 S306 V467 R468 G473 F529 A530 S531	I305-E471 HydrophobicContact CD1-CB 3.48Å; I305-E471 VanDerWaalsContact CD1-CB 3.48Å; I305-E471 VanDerWaalsContact CD1-CD 3.48Å; I305-E471 HydrophobicContact CD1-CG 3.83Å; I305-E471 WeakPolarHBondContact CD1-OE1 3.4Å; I305-E471 HydrophobicContact CG1-CB 3.97Å; I305-E471 VanDerWaalsContact O-CA 3.28Å; I305-E471 WeakPolarHBondContact O-CA 3.25Å; S306-E471 WeakPolarHBondContact CB-OE1 3.4Å; V467-E471 PolarHBondContact O-N 3.12Å; R468-E471 HydrophobicContact CB-CB 4.42Å; R468-E471 HydrophobicContact CG-CB 4.22Å; R468-E471 WeakPolarHBondContact CG-OE2 3.26Å; R468-E471 IonicContact NE-OE2 3.65Å; R468-E471 PolarHBondContact O-N 2.82Å; E471-G473 PolarHBondContact O-N 3.16Å; E471-F529 HydrophobicContact CG-CB 4.36Å; E471-F529 WeakPolarHBondContact OE1-CD1 3.37Å; E471-F529 WeakPolarHBondContact OE2-CD1 3.44Å; E471-A530 CarbonylContact O-C 3.58Å; E471-A530 PolarHBondContact O-N 2.9Å; E471-S531 PolarHBondContact O-N 3.35Å; E471-S531 VanDerWaalsContact O-N 3.1Å
472	G	56	Low	64.5	Low	49 Å²	49	40.6 Å²	40.6	51%	0.505	22%	0.223	S	C	.	.	S	Bend	trans	67.7	-30.3	-162	0	0	0	0	0	113.1	H470 F474	H470-G472 VanDerWaalsContact C-N 3.29Å; H470-G472 PolarHBondContact O-N 3.32Å; H470-G472 VanDerWaalsContact O-N 3.11Å; G472-F474 WeakPolarHBondContact O-CD2 3.46Å; G472-F474 PolarHBondContact O-N 3.1Å
473	G	48.6	Very low	64.3	Low	5 Å²	5	40 Å²	40	5%	0.052	22%	0.219	C	C	.	.			trans	-57	96.5	157.5	0	0	0	0	0	110.9	E471 P475	E471-G473 PolarHBondContact O-N 3.16Å; G473-P475 WeakPolarHBondContact O-CD 3.33Å
474	F	74	Confident	64.6	Low	97 Å²	97	42.3 Å²	42.3	43%	0.425	24%	0.235	S	C	.	.			trans	-90.9	89	164.5	-69.9	-81.6	0	0	0	107.9	G472 Y476 P484 F485 V486	G472-F474 WeakPolarHBondContact O-CD2 3.46Å; G472-F474 PolarHBondContact O-N 3.1Å; F474-Y476 PolarHBondContact O-N 2.97Å; F474-P484 HydrophobicContact CB-CB 3.2Å; F474-P484 HydrophobicContact CB-CG 4.44Å; F474-P484 HydrophobicContact CD2-CB 4.44Å; F474-P484 HydrophobicContact CG-CB 3.91Å; F474-F485 CarbonylContact C-O 3.06Å; F474-V486 HydrophobicContact CD1-CG2 3.7Å; F474-V486 HydrophobicContact CE1-CG2 3.79Å
475	P	60.1	Low	64.8	Low	1 Å²	1	42.2 Å²	42.2	1%	0.006	23%	0.233	C	C	.	.			trans	-55.5	-56.3	-165.1	19.5	-37	0	0	0	114.3	G473 Q477 F485 V486 F526 P527 I528	G473-P475 WeakPolarHBondContact O-CD 3.33Å; P475-Q477 PolarHBondContact O-N 3.3Å; P475-F485 VanDerWaalsContact CD-O 3.31Å; P475-F485 WeakPolarHBondContact CD-O 3.34Å; P475-F485 WeakPolarHBondContact CG-O 3.47Å; P475-F485 VanDerWaalsContact N-O 3.17Å; P475-V486 WeakPolarHBondContact CG-O 3.11Å; P475-F526 CarbonylContact C-O 3.53Å; P475-P527 HydrophobicContact CB-CB 3.31Å; P475-I528 VanDerWaalsContact CA-N 3.32Å; P475-I528 WeakPolarHBondContact CA-O 3.42Å
476	Y	64.2	Low	64.9	Low	48 Å²	48	42.5 Å²	42.5	19%	0.188	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	106.3	-163.1	-53.7	-81.6	0	0	0	110.5	F474 F485 D487 V491 C525 P527	F474-Y476 PolarHBondContact O-N 2.97Å; Y476-F485 PolarHBondContact N-O 3.48Å; Y476-F485 WeakPolarHBondContact O-CA 3.25Å; Y476-F485 VanDerWaalsContact O-CB 3.29Å; Y476-F485 WeakPolarHBondContact O-CB 3.39Å; Y476-F485 PolarHBondContact O-N 3.46Å; Y476-D487 VanDerWaalsContact CD2-C 3.44Å; Y476-V491 HydrophobicContact CG-CG2 4.3Å; Y476-C525 WeakPolarHBondContact CD1-O 3.44Å; Y476-P527 HydrophobicContact CE1-CB 4.34Å
477	Q	66.8	Low	64.7	Low	76 Å²	76	44.6 Å²	44.6	36%	0.355	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	131.7	175.4	-171.4	166.4	55.8	0	0	111.7	P475 L479 N482 C525	P475-Q477 PolarHBondContact O-N 3.3Å; Q477-L479 PolarHBondContact O-N 2.97Å; Q477-N482 HydrophobicContact CG-CB 4.21Å; Q477-N482 PolarHBondContact NE2-O 2.87Å; Q477-C525 PolarHBondContact O-SG 2.05Å; Q477-C525 VanDerWaalsContact O-SG 3.36Å
478	C	74.5	Confident	64.7	Low	1 Å²	1	48.2 Å²	48.2	1%	0.007	26%	0.26	C	S	.	.			trans	-78	110	170.3	178.7	0	0	0	0	110.7	L480 C481 N482 S483 F485 V491 H494	C478-L480 PolarHBondContact O-N 2.87Å; C478-C481 PolarHBondContact O-N 3.27Å; C478-C481 VanDerWaalsContact O-N 3.12Å; C478-N482 VanDerWaalsContact O-CA 3.27Å; C478-N482 WeakPolarHBondContact O-CA 3.47Å; C478-N482 PolarHBondContact O-N 2.82Å; C478-N482 PolarHBondContact O-OD1 2.92Å; C478-S483 PolarHBondContact N-O 2.95Å; C478-F485 HydrophobicContact CB-CD2 4.14Å; C478-F485 HydrophobicContact CB-CE2 3.69Å; C478-V491 HydrophobicContact CB-CG1 4.23Å; C478-H494 PolarHBondContact SG-CD2 3.2Å; C478-H494 PolarHBondContact SG-NE2 3.37Å
479	L	66.3	Low	64.7	Low	96 Å²	96	51 Å²	51	50%	0.503	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-13.5	-177.7	-58.5	175.4	0	0	0	115.3	Q477 K524	Q477-L479 PolarHBondContact O-N 2.97Å; L479-K524 HydrophobicContact CD1-CB 4.48Å
480	L	61.5	Low	65.4	Low	81 Å²	81	48 Å²	48	42%	0.424	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-10.4	-179.5	-59.7	179.8	0	0	0	114.2	C478 L495 H499	C478-L480 PolarHBondContact O-N 2.87Å; L480-L495 HydrophobicContact CD1-CD2 3.88Å; L480-H499 WeakPolarHBondContact CB-CE1 3.42Å; L480-H499 HydrophobicContact CD1-CB 4.16Å; L480-H499 PolarHBondContact O-CE1 3.38Å; L480-H499 VanDerWaalsContact O-CE1 3.24Å
481	C	69	Low	65.9	Low	54 Å²	54	47.9 Å²	47.9	37%	0.365	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.3	-2.4	175.2	73.3	0	0	0	0	114.9	C478 S483 H494	C478-C481 PolarHBondContact O-N 3.27Å; C478-C481 VanDerWaalsContact O-N 3.12Å; C481-S483 PolarHBondContact O-N 2.85Å; C481-S483 VanDerWaalsContact O-N 3.11Å; C481-S483 WeakPolarHBondContact SG-CB 3.48Å; C481-S483 PolarHBondContact SG-N 3.37Å; C481-S483 PolarHBondContact SG-OG 3.27Å; C481-H494 PolarHBondContact SG-CE1 2.84Å; C481-H494 PolarHBondContact SG-NE2 3.16Å
482	N	60	Low	66.7	Low	92 Å²	92	50.7 Å²	50.7	49%	0.492	28%	0.283	S	S	.	.			trans	52.8	21.4	-172.9	-71	7.4	0	0	0	115.9	Q477 C478 P484	Q477-N482 HydrophobicContact CG-CB 4.21Å; Q477-N482 PolarHBondContact NE2-O 2.87Å; C478-N482 VanDerWaalsContact O-CA 3.27Å; C478-N482 WeakPolarHBondContact O-CA 3.47Å; C478-N482 PolarHBondContact O-N 2.82Å; C478-N482 PolarHBondContact O-OD1 2.92Å; N482-P484 WeakPolarHBondContact O-CD 3.37Å
483	S	62.4	Low	67	Low	37 Å²	37	54 Å²	54	26%	0.259	29%	0.285	S	S	.	.			trans	-66.5	127.6	167	-65	0	0	0	0	109.5	C478 C481 F485	C478-S483 PolarHBondContact N-O 2.95Å; C481-S483 PolarHBondContact O-N 2.85Å; C481-S483 VanDerWaalsContact O-N 3.11Å; C481-S483 WeakPolarHBondContact SG-CB 3.48Å; C481-S483 PolarHBondContact SG-N 3.37Å; C481-S483 PolarHBondContact SG-OG 3.27Å; S483-F485 WeakPolarHBondContact O-CD2 3.31Å; S483-F485 WeakPolarHBondContact O-CE2 3.38Å
484	P	70.6	Confident	68.2	Low	58 Å²	58	54.5 Å²	54.5	38%	0.377	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	144.3	173	-17.2	34.2	0	0	0	111.7	F474 N482	F474-P484 HydrophobicContact CB-CB 3.2Å; F474-P484 HydrophobicContact CB-CG 4.44Å; F474-P484 HydrophobicContact CD2-CB 4.44Å; F474-P484 HydrophobicContact CG-CB 3.91Å; N482-P484 WeakPolarHBondContact O-CD 3.37Å
485	F	74.9	Confident	67.9	Low	32 Å²	32	51 Å²	51	14%	0.14	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.4	-179.6	-66.5	-77.8	0	0	0	112.7	F474 P475 Y476 C478 S483 V491 H494	F474-F485 CarbonylContact C-O 3.06Å; P475-F485 VanDerWaalsContact CD-O 3.31Å; P475-F485 WeakPolarHBondContact CD-O 3.34Å; P475-F485 WeakPolarHBondContact CG-O 3.47Å; P475-F485 VanDerWaalsContact N-O 3.17Å; Y476-F485 PolarHBondContact N-O 3.48Å; Y476-F485 WeakPolarHBondContact O-CA 3.25Å; Y476-F485 VanDerWaalsContact O-CB 3.29Å; Y476-F485 WeakPolarHBondContact O-CB 3.39Å; Y476-F485 PolarHBondContact O-N 3.46Å; C478-F485 HydrophobicContact CB-CD2 4.14Å; C478-F485 HydrophobicContact CB-CE2 3.69Å; S483-F485 WeakPolarHBondContact O-CD2 3.31Å; S483-F485 WeakPolarHBondContact O-CE2 3.38Å; F485-V491 HydrophobicContact CB-CG2 3.54Å; F485-V491 HydrophobicContact CD2-CB 4.3Å; F485-V491 HydrophobicContact CD2-CG2 3.86Å; F485-V491 HydrophobicContact CG-CB 4.45Å; F485-V491 HydrophobicContact CG-CG2 3.9Å; F485-H494 HydrophobicContact CD1-CB 4.43Å; F485-H494 HydrophobicContact CE1-CB 3.58Å; F485-H494 AromaticContact CE1-CG 3.94Å; F485-H494 HydrophobicContact CE2-CB 3.91Å; F485-H494 AromaticContact CE2-CD2 3.51Å; F485-H494 AromaticContact CE2-CG 3.55Å; F485-H494 HydrophobicContact CZ-CB 3.3Å; F485-H494 AromaticContact CZ-CD2 3.61Å; F485-H494 AromaticContact CZ-CG 3.12Å; F485-H494 AromaticContact CZ-ND1 3.53Å
486	V	67.4	Low	67.9	Low	16 Å²	16	58 Å²	58	10%	0.097	31%	0.305	C	S	.	.	S	Bend	trans	-71.9	-39.6	-175.4	178.2	0	0	0	0	111.6	A465 R468 Q469 F474 P475	A465-V486 VanDerWaalsContact C-CG1 3.48Å; A465-V486 HydrophobicContact CB-CG1 3.77Å; A465-V486 WeakPolarHBondContact O-CG1 3.36Å; R468-V486 HydrophobicContact CB-CG1 3.91Å; Q469-V486 HydrophobicContact CG-CG1 3.93Å; Q469-V486 HydrophobicContact CG-CG2 3.76Å; F474-V486 HydrophobicContact CD1-CG2 3.7Å; F474-V486 HydrophobicContact CE1-CG2 3.79Å; P475-V486 WeakPolarHBondContact CG-O 3.11Å
487	D	67.2	Low	67.4	Low	50 Å²	50	60.6 Å²	60.6	27%	0.267	33%	0.329	S	S	.	.	S	Bend	trans	-141.9	155.9	-176.9	70.4	-24.2	0	0	0	111.1	A465 Y476 V489 S490 V491	A465-D487 HydrophobicContact CB-CB 4.02Å; Y476-D487 VanDerWaalsContact CD2-C 3.44Å; D487-V489 PolarHBondContact O-N 3.16Å; D487-V489 VanDerWaalsContact O-N 3.14Å; D487-V489 WeakPolarHBondContact OD2-CB 3.36Å; D487-S490 PolarHBondContact O-N 2.89Å; D487-S490 VanDerWaalsContact O-N 3.12Å; D487-S490 PolarHBondContact O-OG 2.85Å; D487-S490 VanDerWaalsContact O-OG 3.09Å; D487-S490 WeakPolarHBondContact OD1-CB 3.27Å; D487-S490 PolarHBondContact OD1-N 2.89Å; D487-S490 PolarHBondContact OD1-OG 3.4Å; D487-V491 PolarHBondContact O-N 3.12Å; D487-V491 VanDerWaalsContact O-N 3.17Å
488	Q	67.5	Low	66.7	Low	94 Å²	94	61.1 Å²	61.1	44%	0.439	34%	0.337	S	S	.	.	H	α-helix	trans	-59.2	-26.7	178.3	-166.2	-176.2	17	0	0	111.8	V491 L492 L522	Q488-V491 WeakPolarHBondContact O-CB 3.45Å; Q488-V491 PolarHBondContact O-N 3.14Å; Q488-L492 WeakPolarHBondContact O-CB 3.25Å; Q488-L492 PolarHBondContact O-N 2.79Å; Q488-L522 PolarHBondContact NE2-O 3.36Å
489	V	71.1	Confident	65.9	Low	79 Å²	79	63.7 Å²	63.7	48%	0.479	35%	0.349	S	S	.	.	H	α-helix	trans	-72.1	-36.8	177.7	-172.1	0	0	0	0	111.8	D487 L492 Q493	D487-V489 PolarHBondContact O-N 3.16Å; D487-V489 VanDerWaalsContact O-N 3.14Å; D487-V489 WeakPolarHBondContact OD2-CB 3.36Å; V489-L492 WeakPolarHBondContact O-CB 3.27Å; V489-L492 PolarHBondContact O-N 2.93Å; V489-Q493 WeakPolarHBondContact O-CG 3.49Å; V489-Q493 PolarHBondContact O-N 2.71Å
490	S	72.2	Confident	64.9	Low	28 Å²	28	60.7 Å²	60.7	20%	0.196	34%	0.341	C	S	.	.	H	α-helix	trans	-72.8	-30.1	170.9	57.4	0	0	0	0	112.8	D487 L492 H494	D487-S490 PolarHBondContact O-N 2.89Å; D487-S490 VanDerWaalsContact O-N 3.12Å; D487-S490 PolarHBondContact O-OG 2.85Å; D487-S490 VanDerWaalsContact O-OG 3.09Å; D487-S490 WeakPolarHBondContact OD1-CB 3.27Å; D487-S490 PolarHBondContact OD1-N 2.89Å; D487-S490 PolarHBondContact OD1-OG 3.4Å; S490-L492 VanDerWaalsContact C-N 3.34Å; S490-H494 WeakPolarHBondContact O-CB 2.97Å; S490-H494 PolarHBondContact O-N 2.54Å
491	V	76.9	Confident	63.5	Low	2 Å²	2	58.6 Å²	58.6	1%	0.012	34%	0.339	C	S	.	.	H	α-helix	trans	-58.7	-46.9	165.4	-172.4	0	0	0	0	110.4	Y476 C478 F485 D487 Q488 H494 L495	Y476-V491 HydrophobicContact CG-CG2 4.3Å; C478-V491 HydrophobicContact CB-CG1 4.23Å; F485-V491 HydrophobicContact CB-CG2 3.54Å; F485-V491 HydrophobicContact CD2-CB 4.3Å; F485-V491 HydrophobicContact CD2-CG2 3.86Å; F485-V491 HydrophobicContact CG-CB 4.45Å; F485-V491 HydrophobicContact CG-CG2 3.9Å; D487-V491 PolarHBondContact O-N 3.12Å; D487-V491 VanDerWaalsContact O-N 3.17Å; Q488-V491 WeakPolarHBondContact O-CB 3.45Å; Q488-V491 PolarHBondContact O-N 3.14Å; V491-H494 WeakPolarHBondContact O-CB 3.03Å; V491-H494 PolarHBondContact O-N 3.46Å; V491-L495 HydrophobicContact CG1-CD1 3.96Å; V491-L495 HydrophobicContact CG1-CG 4.29Å; V491-L495 WeakPolarHBondContact O-CB 3.37Å; V491-L495 WeakPolarHBondContact O-CG 3.3Å; V491-L495 PolarHBondContact O-N 2.77Å
492	L	69.7	Low	61.6	Low	69 Å²	69	59.6 Å²	59.6	36%	0.361	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-48.6	178.4	-91.8	158.6	0	0	0	112.3	Q488 V489 S490 H494 L495 Q496 L522	Q488-L492 WeakPolarHBondContact O-CB 3.25Å; Q488-L492 PolarHBondContact O-N 2.79Å; V489-L492 WeakPolarHBondContact O-CB 3.27Å; V489-L492 PolarHBondContact O-N 2.93Å; S490-L492 VanDerWaalsContact C-N 3.34Å; L492-H494 VanDerWaalsContact C-N 3.28Å; L492-H494 PolarHBondContact O-N 2.87Å; L492-L495 PolarHBondContact O-N 3.37Å; L492-Q496 WeakPolarHBondContact O-CB 3.18Å; L492-Q496 PolarHBondContact O-N 3.06Å; L492-L522 HydrophobicContact CD1-CD2 4.39Å; L492-L522 HydrophobicContact CD2-CD1 3.72Å; L492-L522 HydrophobicContact CD2-CD2 3.44Å; L492-L522 VanDerWaalsContact CD2-CD2 3.44Å; L492-L522 HydrophobicContact CD2-CG 4.24Å; L492-L522 HydrophobicContact CG-CD2 3.63Å
493	Q	62.8	Low	60.4	Low	117 Å²	117	59.5 Å²	59.5	55%	0.547	34%	0.341	S	S	.	.	H	α-helix	trans	-62.4	-37.5	176.2	-72.6	178.6	18.3	0	0	111.6	V489 Q496 C497	V489-Q493 WeakPolarHBondContact O-CG 3.49Å; V489-Q493 PolarHBondContact O-N 2.71Å; Q493-Q496 PolarHBondContact O-N 2.86Å; Q493-C497 WeakPolarHBondContact O-CB 3.27Å; Q493-C497 PolarHBondContact O-N 3.02Å; Q493-C497 PolarHBondContact O-SG 3.04Å
494	H	72.7	Confident	58.7	Low	17 Å²	17	61.9 Å²	61.9	8%	0.079	36%	0.364	C	S	.	.	H	α-helix	trans	-66.8	-47.1	173.5	160.2	75.1	0	0	0	112.1	C478 C481 F485 S490 V491 L492 Q496 C497 V498 H499	C478-H494 PolarHBondContact SG-CD2 3.2Å; C478-H494 PolarHBondContact SG-NE2 3.37Å; C481-H494 PolarHBondContact SG-CE1 2.84Å; C481-H494 PolarHBondContact SG-NE2 3.16Å; F485-H494 HydrophobicContact CD1-CB 4.43Å; F485-H494 HydrophobicContact CE1-CB 3.58Å; F485-H494 AromaticContact CE1-CG 3.94Å; F485-H494 HydrophobicContact CE2-CB 3.91Å; F485-H494 AromaticContact CE2-CD2 3.51Å; F485-H494 AromaticContact CE2-CG 3.55Å; F485-H494 HydrophobicContact CZ-CB 3.3Å; F485-H494 AromaticContact CZ-CD2 3.61Å; F485-H494 AromaticContact CZ-CG 3.12Å; F485-H494 AromaticContact CZ-ND1 3.53Å; S490-H494 WeakPolarHBondContact O-CB 2.97Å; S490-H494 PolarHBondContact O-N 2.54Å; V491-H494 WeakPolarHBondContact O-CB 3.03Å; V491-H494 PolarHBondContact O-N 3.46Å; L492-H494 VanDerWaalsContact C-N 3.28Å; L492-H494 PolarHBondContact O-N 2.87Å; H494-Q496 PolarHBondContact O-N 3.26Å; H494-C497 PolarHBondContact O-N 2.79Å; H494-C497 VanDerWaalsContact O-N 3.16Å; H494-V498 WeakPolarHBondContact ND1-CG2 3.39Å; H494-V498 WeakPolarHBondContact O-CA 3.41Å; H494-V498 WeakPolarHBondContact O-CB 3.47Å; H494-V498 PolarHBondContact O-N 3.13Å; H494-H499 AromaticContact CE1-CD2 3.77Å; H494-H499 AromaticContact CE1-NE2 3.54Å; H494-H499 AromaticContact NE2-CD2 3.25Å; H494-H499 PolarHBondContact NE2-CD2 2.66Å; H494-H499 VanDerWaalsContact NE2-CD2 3.25Å; H494-H499 AromaticContact NE2-NE2 3.15Å; H494-H499 PolarHBondContact NE2-NE2 2.69Å; H494-H499 VanDerWaalsContact NE2-NE2 3.15Å
495	L	67.5	Low	56.4	Low	22 Å²	22	65 Å²	65	12%	0.115	38%	0.377	C	S	.	.	I	π-helix	trans	-55.4	-39.2	172.9	-77.9	169.3	0	0	0	110.1	L480 V491 L492 H499 G500 L522	L480-L495 HydrophobicContact CD1-CD2 3.88Å; V491-L495 HydrophobicContact CG1-CD1 3.96Å; V491-L495 HydrophobicContact CG1-CG 4.29Å; V491-L495 WeakPolarHBondContact O-CB 3.37Å; V491-L495 WeakPolarHBondContact O-CG 3.3Å; V491-L495 PolarHBondContact O-N 2.77Å; L492-L495 PolarHBondContact O-N 3.37Å; L495-H499 HydrophobicContact CD2-CB 4.36Å; L495-H499 CarbonylContact O-C 3.57Å; L495-H499 VanDerWaalsContact O-C 3.26Å; L495-H499 WeakPolarHBondContact O-CA 3.36Å; L495-H499 WeakPolarHBondContact O-CB 3Å; L495-H499 PolarHBondContact O-N 3.29Å; L495-G500 WeakPolarHBondContact O-CA 3.15Å; L495-G500 PolarHBondContact O-N 3.04Å; L495-L522 HydrophobicContact CD1-CD2 3.73Å
496	Q	60.1	Low	54	Low	150 Å²	150	65.5 Å²	65.5	70%	0.701	39%	0.387	S	S	*	.	I	π-helix	trans	-78.7	-25.6	179.1	-162	171.2	44.2	0	0	114.6	L492 Q493 H494 G500	L492-Q496 WeakPolarHBondContact O-CB 3.18Å; L492-Q496 PolarHBondContact O-N 3.06Å; Q493-Q496 PolarHBondContact O-N 2.86Å; H494-Q496 PolarHBondContact O-N 3.26Å; Q496-G500 WeakPolarHBondContact O-CA 2.93Å
497	C	54.9	Low	51.9	Low	102 Å²	102	67.6 Å²	67.6	69%	0.689	40%	0.402	S	S	*	.	I	π-helix	trans	-102.3	-19.2	-177.4	-66.7	0	0	0	0	114.7	Q493 H494	Q493-C497 WeakPolarHBondContact O-CB 3.27Å; Q493-C497 PolarHBondContact O-N 3.02Å; Q493-C497 PolarHBondContact O-SG 3.04Å; H494-C497 PolarHBondContact O-N 2.79Å; H494-C497 VanDerWaalsContact O-N 3.16Å
498	V	51	Low	49.7	Very low	86 Å²	86	71.8 Å²	71.8	52%	0.521	42%	0.415	S	S	.	.	I	π-helix	trans	-121.7	-33.3	-174	-174.5	0	0	0	0	112.1	H494	H494-V498 WeakPolarHBondContact ND1-CG2 3.39Å; H494-V498 WeakPolarHBondContact O-CA 3.41Å; H494-V498 WeakPolarHBondContact O-CB 3.47Å; H494-V498 PolarHBondContact O-N 3.13Å
499	H	58	Low	47.6	Very low	56 Å²	56	68.8 Å²	68.8	26%	0.259	40%	0.404	S	S	.	.	I	π-helix	trans	-104.1	-16.9	171.6	-59	-75.3	0	0	0	112.5	L480 H494 L495 G501	L480-H499 WeakPolarHBondContact CB-CE1 3.42Å; L480-H499 HydrophobicContact CD1-CB 4.16Å; L480-H499 PolarHBondContact O-CE1 3.38Å; L480-H499 VanDerWaalsContact O-CE1 3.24Å; H494-H499 AromaticContact CE1-CD2 3.77Å; H494-H499 AromaticContact CE1-NE2 3.54Å; H494-H499 AromaticContact NE2-CD2 3.25Å; H494-H499 PolarHBondContact NE2-CD2 2.66Å; H494-H499 VanDerWaalsContact NE2-CD2 3.25Å; H494-H499 AromaticContact NE2-NE2 3.15Å; H494-H499 PolarHBondContact NE2-NE2 2.69Å; H494-H499 VanDerWaalsContact NE2-NE2 3.15Å; L495-H499 HydrophobicContact CD2-CB 4.36Å; L495-H499 CarbonylContact O-C 3.57Å; L495-H499 VanDerWaalsContact O-C 3.26Å; L495-H499 WeakPolarHBondContact O-CA 3.36Å; L495-H499 WeakPolarHBondContact O-CB 3Å; L495-H499 PolarHBondContact O-N 3.29Å; H499-G501 PolarHBondContact O-N 3Å
500	G	44.8	Very low	45.4	Very low	33 Å²	33	66.9 Å²	66.9	34%	0.34	39%	0.393	S	S	.	.	S	Bend	trans	-77.5	103.5	179.2	0	0	0	0	0	111.9	L495 Q496 R502	L495-G500 WeakPolarHBondContact O-CA 3.15Å; L495-G500 PolarHBondContact O-N 3.04Å; Q496-G500 WeakPolarHBondContact O-CA 2.93Å; G500-R502 PolarHBondContact O-N 3.22Å
501	G	33	Very low	43.1	Very low	37 Å²	37	70.7 Å²	70.7	38%	0.381	41%	0.411	S	S	.	.			trans	-69.8	86.8	-176.6	0	0	0	0	0	115.3	H499 T510 N511	H499-G501 PolarHBondContact O-N 3Å; G501-T510 VanDerWaalsContact CA-O 3.27Å; G501-T510 WeakPolarHBondContact CA-O 3.27Å; G501-N511 VanDerWaalsContact CA-N 3.29Å
502	R	29.4	Very low	40.4	Very low	75 Å²	75	82.1 Å²	82.1	28%	0.283	45%	0.454	S	S	.	.			trans	50.1	119.6	160	-66	-168.1	-121.6	-139.9	-0.5	119.2	G500 A506 Y508	G500-R502 PolarHBondContact O-N 3.22Å; R502-A506 HydrophobicContact CB-CB 4.46Å; R502-Y508 VanDerWaalsContact CG-C 3.49Å
503	S	35.5	Very low	38.5	Very low	89 Å²	89	81.5 Å²	81.5	62%	0.622	47%	0.465	S	S	*	.				85.8	150.4	127.4	81.8	0	0	0	0	118.6	A506	S503-A506 VanDerWaalsContact CB-O 3.27Å; S503-A506 WeakPolarHBondContact CB-O 3.37Å; S503-A506 VanDerWaalsContact N-CB 3.33Å
504	A	26.3	Very low	37.1	Very low	88 Å²	88	81 Å²	81	73%	0.727	47%	0.47	S	S	*	.	S	Bend	cis	-124.2	138.3	9.3	0	0	0	0	0	112.9
505	N	21.6	Very low	35.2	Very low	124 Å²	124	88.1 Å²	88.1	66%	0.663	50%	0.503	S	S	*	.	S	Bend	cis	-78.2	124.2	3	-79.2	-21.7	0	0	0	112.9
506	A	25.4	Very low	33.6	Very low	42 Å²	42	92.6 Å²	92.6	35%	0.347	52%	0.524	S	S	.	.			trans	-156.3	144.3	152.1	0	0	0	0	0	109.1	R502 S503	R502-A506 HydrophobicContact CB-CB 4.46Å; S503-A506 VanDerWaalsContact CB-O 3.27Å; S503-A506 WeakPolarHBondContact CB-O 3.37Å; S503-A506 VanDerWaalsContact N-CB 3.33Å
507	S	22.6	Very low	32.4	Very low	59 Å²	59	88.7 Å²	88.7	41%	0.413	51%	0.51	S	S	.	.			trans	-116.7	125.4	161.2	-80.3	0	0	0	0	106.3	D1258	S507-D1258 PolarHBondContact OG-OD2 2.96Å
508	Y	21.7	Very low	31.6	Very low	139 Å²	139	87.3 Å²	87.3	55%	0.545	50%	0.498	S	S	.	.			trans	70	140.8	-179.4	-36.4	-69.8	0	0	0	116.1	R502	R502-Y508 VanDerWaalsContact CG-C 3.49Å
509	S	22.8	Very low	30.9	Very low	30 Å²	30	89.6 Å²	89.6	21%	0.21	50%	0.503	C	S	.	.			cis	-162.7	146.1	-20.2	42.3	0	0	0	0	113.5	R828	S509-R828 PolarHBondContact OG-NH1 3.12Å
510	T	24.8	Very low	29.7	Very low	40 Å²	40	94.8 Å²	94.8	25%	0.245	52%	0.52	C	S	.	.			trans	61.9	120.3	168.9	48.3	0	0	0	0	116.6	G501	G501-T510 VanDerWaalsContact CA-O 3.27Å; G501-T510 WeakPolarHBondContact CA-O 3.27Å
511	N	23.3	Very low	29.2	Very low	108 Å²	108	97.6 Å²	97.6	58%	0.578	52%	0.524	S	S	*	.			cis	83.7	68.9	39.4	-64.1	65.1	0	0	0	113.7	G501	G501-N511 VanDerWaalsContact CA-N 3.29Å
512	W	21.5	Very low	29.6	Very low	241 Å²	241	97.8 Å²	97.8	91%	0.913	52%	0.516	S	S	*	.			trans	-118.5	164.7	135.8	-92.4	3.6	0	0	0	108.1
513	G	29.5	Very low	30.1	Very low	56 Å²	56	98 Å²	98	58%	0.577	53%	0.529	S	S	*	.			trans	-92.2	163.3	-162.9	0	0	0	0	0	116.6
514	T	33.7	Very low	30.1	Very low	107 Å²	107	100.9 Å²	100.9	66%	0.656	53%	0.531	S	S	*	.			trans	49.3	117.1	157.9	50.1	0	0	0	0	118.9	E516 V517	T514-E516 VanDerWaalsContact C-N 3.29Å; T514-E516 PolarHBondContact O-N 3.4Å; T514-E516 VanDerWaalsContact O-N 3.09Å; T514-V517 PolarHBondContact O-N 3.5Å; T514-V517 VanDerWaalsContact O-N 3.09Å
515	E	32.3	Very low	30.7	Very low	166 Å²	166	97.8 Å²	97.8	78%	0.776	50%	0.503	S	S	*	.	H	α-helix	trans	-40.3	-45.8	179.6	-79.3	145.9	114.1	0	0	115	V517 V518 E519	E515-V517 PolarHBondContact O-N 3.1Å; E515-V518 WeakPolarHBondContact O-CA 3.41Å; E515-V518 WeakPolarHBondContact O-CB 3.33Å; E515-V518 PolarHBondContact O-N 2.87Å; E515-E519 PolarHBondContact O-N 3.17Å; E515-E519 VanDerWaalsContact O-N 3.08Å
516	E	34	Very low	31.2	Very low	117 Å²	117	99 Å²	99	55%	0.547	50%	0.503	S	S	.	.	H	α-helix	trans	-55.7	-24.8	-177.7	-57	-179.9	-167.5	0	0	115.3	T514 R520	T514-E516 VanDerWaalsContact C-N 3.29Å; T514-E516 PolarHBondContact O-N 3.4Å; T514-E516 VanDerWaalsContact O-N 3.09Å; E516-R520 WeakPolarHBondContact O-CG 3.17Å; E516-R520 PolarHBondContact O-N 2.84Å; E516-R520 PolarHBondContact O-NH1 3.37Å; E516-R520 IonicContact OE2-NH1 3.57Å
517	V	34.7	Very low	31.5	Very low	67 Å²	67	99.9 Å²	99.9	41%	0.406	51%	0.505	S	S	.	.	H	α-helix	trans	-81.5	-32.2	177.8	-178.7	0	0	0	0	110.7	T514 E515 R520 H521	T514-V517 PolarHBondContact O-N 3.5Å; T514-V517 VanDerWaalsContact O-N 3.09Å; E515-V517 PolarHBondContact O-N 3.1Å; V517-R520 PolarHBondContact O-N 2.85Å; V517-H521 PolarHBondContact O-N 2.9Å; V517-H521 PolarHBondContact O-ND1 2.84Å
518	V	38.6	Very low	32.1	Very low	73 Å²	73	102.2 Å²	102.2	44%	0.442	51%	0.512	S	S	.	.	H	α-helix	trans	-68.4	-42.8	172.2	-178.3	0	0	0	0	109.6	E515 R520 H521 L522	E515-V518 WeakPolarHBondContact O-CA 3.41Å; E515-V518 WeakPolarHBondContact O-CB 3.33Å; E515-V518 PolarHBondContact O-N 2.87Å; V518-R520 VanDerWaalsContact C-N 3.31Å; V518-R520 PolarHBondContact O-N 2.9Å; V518-H521 PolarHBondContact O-N 2.96Å; V518-L522 HydrophobicContact CG1-CD1 4.14Å; V518-L522 HydrophobicContact CG1-CG 4.42Å; V518-L522 WeakPolarHBondContact O-CG 3.45Å; V518-L522 PolarHBondContact O-N 3.25Å; V518-L522 VanDerWaalsContact O-N 3.1Å
519	E	35.1	Very low	32.5	Very low	134 Å²	134	101.8 Å²	101.8	63%	0.626	51%	0.513	S	S	*	.	H	α-helix	trans	-58.1	-41.2	175	-65.9	-178.7	148.6	0	0	112.1	E515 H521	E515-E519 PolarHBondContact O-N 3.17Å; E515-E519 VanDerWaalsContact O-N 3.08Å; E519-H521 VanDerWaalsContact C-N 3.34Å; E519-H521 PolarHBondContact O-N 3.37Å
520	R	33.9	Very low	32.7	Very low	165 Å²	165	103.3 Å²	103.3	62%	0.623	53%	0.527	S	S	*	.	H	α-helix	trans	-70.1	-18.8	173.5	-75.3	-174.6	-175.4	92	-9.8	115.5	E516 V517 V518 S523	E516-R520 WeakPolarHBondContact O-CG 3.17Å; E516-R520 PolarHBondContact O-N 2.84Å; E516-R520 PolarHBondContact O-NH1 3.37Å; E516-R520 IonicContact OE2-NH1 3.57Å; V517-R520 PolarHBondContact O-N 2.85Å; V518-R520 VanDerWaalsContact C-N 3.31Å; V518-R520 PolarHBondContact O-N 2.9Å; R520-S523 PolarHBondContact O-OG 2.94Å
521	H	34.4	Very low	32.7	Very low	93 Å²	93	104.8 Å²	104.8	43%	0.431	54%	0.539	S	S	.	.	H	α-helix	trans	-94.5	-19.7	178.6	-78.3	80.2	0	0	0	113.6	V517 V518 E519 S523 K524	V517-H521 PolarHBondContact O-N 2.9Å; V517-H521 PolarHBondContact O-ND1 2.84Å; V518-H521 PolarHBondContact O-N 2.96Å; E519-H521 VanDerWaalsContact C-N 3.34Å; E519-H521 PolarHBondContact O-N 3.37Å; H521-S523 PolarHBondContact O-N 3.21Å; H521-K524 PolarHBondContact O-N 3.05Å
522	L	41.3	Very low	32.7	Very low	40 Å²	40	103.5 Å²	103.5	21%	0.209	53%	0.532	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.8	179.2	-76.1	165.5	0	0	0	114.4	Q488 L492 L495 V518	Q488-L522 PolarHBondContact NE2-O 3.36Å; L492-L522 HydrophobicContact CD1-CD2 4.39Å; L492-L522 HydrophobicContact CD2-CD1 3.72Å; L492-L522 HydrophobicContact CD2-CD2 3.44Å; L492-L522 VanDerWaalsContact CD2-CD2 3.44Å; L492-L522 HydrophobicContact CD2-CG 4.24Å; L492-L522 HydrophobicContact CG-CD2 3.63Å; L495-L522 HydrophobicContact CD1-CD2 3.73Å; V518-L522 HydrophobicContact CG1-CD1 4.14Å; V518-L522 HydrophobicContact CG1-CG 4.42Å; V518-L522 WeakPolarHBondContact O-CG 3.45Å; V518-L522 PolarHBondContact O-N 3.25Å; V518-L522 VanDerWaalsContact O-N 3.1Å
523	S	38.5	Very low	32.9	Very low	79 Å²	79	96.1 Å²	96.1	55%	0.552	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	5.9	-179.8	54.4	0	0	0	0	114.9	R520 H521	R520-S523 PolarHBondContact O-OG 2.94Å; H521-S523 PolarHBondContact O-N 3.21Å
524	K	35.2	Very low	32.6	Very low	151 Å²	151	97.2 Å²	97.2	66%	0.657	50%	0.496	S	S	*	.	S	Bend	trans	-131	13.9	-176	-68.6	-166.6	175.9	-175.1	0	116.9	L479 H521	L479-K524 HydrophobicContact CD1-CB 4.48Å; H521-K524 PolarHBondContact O-N 3.05Å
525	C	40.6	Very low	32.3	Very low	22 Å²	22	95.3 Å²	95.3	15%	0.149	48%	0.482	C	S	.	.			trans	-96.6	114.5	169.6	-57.1	0	0	0	0	109.5	Y476 Q477	Y476-C525 WeakPolarHBondContact CD1-O 3.44Å; Q477-C525 PolarHBondContact O-SG 2.05Å; Q477-C525 VanDerWaalsContact O-SG 3.36Å
526	F	32.1	Very low	32	Very low	150 Å²	150	89.2 Å²	89.2	66%	0.658	46%	0.456	S	S	*	.			trans	-117.2	159.2	-171.2	-83.6	-90.5	0	0	0	113.4	P475	P475-F526 CarbonylContact C-O 3.53Å
527	P	31.8	Very low	31.6	Very low	60 Å²	60	87 Å²	87	39%	0.39	45%	0.447	S	S	.	.			trans	-88.4	159.4	-169.8	35	-37.9	0	0	0	118.6	P475 Y476	P475-P527 HydrophobicContact CB-CB 3.31Å; Y476-P527 HydrophobicContact CE1-CB 4.34Å
528	I	33.8	Very low	31.1	Very low	109 Å²	109	89.9 Å²	89.9	56%	0.559	46%	0.459	S	S	*	.			trans	-151.5	149.8	-176.3	-47.3	179.2	0	0	0	109.9	P475	P475-I528 VanDerWaalsContact CA-N 3.32Å; P475-I528 WeakPolarHBondContact CA-O 3.42Å
529	F	31.1	Very low	30.4	Very low	130 Å²	130	91.3 Å²	91.3	57%	0.57	46%	0.464	S	S	*	.			trans	-119.8	160.1	-175.2	-56.9	-113.5	0	0	0	112.3	E471	E471-F529 HydrophobicContact CG-CB 4.36Å; E471-F529 WeakPolarHBondContact OE1-CD1 3.37Å; E471-F529 WeakPolarHBondContact OE2-CD1 3.44Å
530	A	27.1	Very low	30	Very low	62 Å²	62	90.7 Å²	90.7	51%	0.512	47%	0.465	S	S	.	.				156.3	112.2	126.8	0	0	0	0	0	121.8	S306 E471	S306-A530 VanDerWaalsContact OG-CA 3.23Å; S306-A530 WeakPolarHBondContact OG-CA 3.33Å; E471-A530 CarbonylContact O-C 3.58Å; E471-A530 PolarHBondContact O-N 2.9Å
531	S	24.1	Very low	29.5	Very low	70 Å²	70	87 Å²	87	49%	0.49	46%	0.458	S	S	.	.			trans	85.2	93.3	141	-66.2	0	0	0	0	126.6	I305 S306 E471	I305-S531 CarbonylContact O-C 3.6Å; I305-S531 WeakPolarHBondContact O-CA 3.36Å; I305-S531 PolarHBondContact O-N 3.46Å; S306-S531 WeakPolarHBondContact OG-CA 3.1Å; S306-S531 PolarHBondContact OG-N 3.14Å; S306-S531 PolarHBondContact OG-OG 2.92Å; E471-S531 PolarHBondContact O-N 3.35Å; E471-S531 VanDerWaalsContact O-N 3.1Å
532	D	24.4	Very low	29	Very low	81 Å²	81	89.9 Å²	89.9	43%	0.433	47%	0.469	S	S	.	.				86.9	137.4	109.3	-114.7	38.8	0	0	0	125.3	I305 S306	I305-D532 WeakPolarHBondContact CA-OD1 3.23Å; I305-D532 PolarHBondContact O-N 2.82Å; S306-D532 PolarHBondContact N-OD1 2.87Å
533	K	25.6	Very low	28.1	Very low	87 Å²	87	89.9 Å²	89.9	38%	0.378	47%	0.471	S	S	.	.			trans	76.7	152.9	153.1	-126.4	168.5	172.7	-160.6	0	118.6	G304 E775 P777 G778	G304-K533 PolarHBondContact O-N 2.7Å; G304-K533 VanDerWaalsContact O-N 3.08Å; K533-E775 IonicContact NZ-OE1 3.84Å; K533-E775 PolarHBondContact NZ-OE1 2.84Å; K533-P777 HydrophobicContact CB-CB 3.83Å; K533-P777 HydrophobicContact CB-CG 3.61Å; K533-P777 HydrophobicContact CD-CG 3.92Å; K533-P777 HydrophobicContact CG-CB 4.43Å; K533-P777 HydrophobicContact CG-CG 3.67Å; K533-G778 PolarHBondContact O-N 3.05Å
534	F	22.5	Very low	27.2	Very low	79 Å²	79	92.6 Å²	92.6	35%	0.346	48%	0.479	S	S	.	.			trans	-153	132.3	-161.8	-166.2	-57	0	0	0	116.7	A303 L451 P777	A303-F534 WeakPolarHBondContact O-CD2 3.43Å; L451-F534 WeakPolarHBondContact O-CE2 3.08Å; F534-P777 VanDerWaalsContact C-N 3.32Å; F534-P777 CarbonylContact C-O 3.57Å; F534-P777 VanDerWaalsContact CA-C 3.4Å
535	D	26.3	Very low	26.6	Very low	67 Å²	67	91 Å²	91	36%	0.358	49%	0.485	S	S	.	.			trans	171.1	-169.2	160.4	-117.6	-21.4	0	0	0	115.4	M776 P777	D535-M776 HydrophobicContact CB-CB 3.45Å; D535-M776 VanDerWaalsContact CB-CB 3.45Å; D535-M776 WeakPolarHBondContact OD2-CB 3.45Å; D535-P777 VanDerWaalsContact N-C 3.28Å; D535-P777 PolarHBondContact N-O 2.63Å
536	P	27.8	Very low	25.6	Very low	38 Å²	38	92.8 Å²	92.8	25%	0.247	49%	0.494	C	S	.	.			cis	-141.3	-151.6	-29.6	35	-10.8	0	0	0	114.8	C879 S881	P536-C879 VanDerWaalsContact CD-O 3.25Å; P536-C879 WeakPolarHBondContact CD-O 3.46Å; P536-S881 VanDerWaalsContact CB-C 3.45Å; P536-S881 VanDerWaalsContact CG-CA 3.44Å
537	I	24.9	Very low	25.1	Very low	69 Å²	69	88.3 Å²	88.3	35%	0.354	48%	0.479	S	S	.	.			trans	53	103.8	173.6	12.5	-177.9	0	0	0	115.5	S881 S883	I537-S881 WeakPolarHBondContact CG1-O 3.42Å; I537-S881 WeakPolarHBondContact CG2-O 3.19Å; I537-S883 WeakPolarHBondContact CG2-O 3.41Å
538	I	24.7	Very low	24.6	Very low	128 Å²	128	90.2 Å²	90.2	66%	0.656	49%	0.489	S	S	*	.				47.7	87.4	54.5	-46.8	-179.5	0	0	0	112.5
539	D	22.9	Very low	24	Very low	104 Å²	104	88.6 Å²	88.6	56%	0.556	48%	0.482	S	S	*	.				-168.5	158.5	123.9	-121	-23.3	0	0	0	114.7	L541	D539-L541 VanDerWaalsContact OD1-CD1 3.25Å; D539-L541 WeakPolarHBondContact OD1-CD1 3.44Å
540	N	26.2	Very low	23.5	Very low	121 Å²	121	85.4 Å²	85.4	65%	0.647	49%	0.485	S	S	*	.			trans	104.5	108	168	-58.3	-80.2	0	0	0	115.8	F294	F294-N540 VanDerWaalsContact CE1-O 3.23Å; F294-N540 WeakPolarHBondContact CE1-O 3.43Å
541	L	23.6	Very low	23.3	Very low	87 Å²	87	86.2 Å²	86.2	46%	0.455	50%	0.5	S	S	.	.			cis	80.3	125.7	44.8	-80.1	74	0	0	0	113.6	F294 D539	F294-L541 VanDerWaalsContact CE2-C 3.48Å; F294-L541 WeakPolarHBondContact CZ-O 3.45Å; D539-L541 VanDerWaalsContact OD1-CD1 3.25Å; D539-L541 WeakPolarHBondContact OD1-CD1 3.44Å
542	F	25.3	Very low	23.2	Very low	153 Å²	153	85.8 Å²	85.8	67%	0.671	51%	0.507	S	S	*	.			trans	73.8	108.1	144.5	-71.9	-142.1	0	0	0	114.5
543	T	20.7	Very low	23	Very low	41 Å²	41	86.6 Å²	86.6	25%	0.252	52%	0.515	S	S	.	.			cis	56	89.6	42.9	94.7	0	0	0	0	111.4	F294	F294-T543 HydrophobicContact CD2-CG2 3.99Å; F294-T543 HydrophobicContact CE2-CG2 3.66Å
544	D	21.5	Very low	22.9	Very low	135 Å²	135	87.5 Å²	87.5	72%	0.722	53%	0.527	S	S	*	.				-157.9	-179.9	120.8	-92.4	-23.3	0	0	0	107.8
545	C	21.8	Very low	22.8	Very low	117 Å²	117	90.1 Å²	90.1	79%	0.791	54%	0.539	S	S	*	.			trans	36.1	81.2	173.1	58.4	0	0	0	0	115.5
546	D	20.4	Very low	22.5	Very low	61 Å²	61	89.9 Å²	89.9	33%	0.326	54%	0.54	S	S	.	.			cis	57.6	149.3	30.4	-140.1	-12.2	0	0	0	112.7	K290 G291	K290-D546 WeakPolarHBondContact CA-OD1 3.21Å; K290-D546 WeakPolarHBondContact CA-OD2 3.13Å; K290-D546 PolarHBondContact N-OD1 3.19Å; G291-D546 VanDerWaalsContact CA-CG 3.47Å; G291-D546 WeakPolarHBondContact CA-OD2 3.01Å
547	T	20.7	Very low	22.2	Very low	55 Å²	55	93.2 Å²	93.2	34%	0.337	55%	0.552	S	S	.	*			trans	62.5	92.3	177.5	-6.1	0	0	0	0	115.4	P287 S289 D549	P287-T547 HydrophobicContact CB-CG2 3.65Å; S289-T547 WeakPolarHBondContact CB-OG1 3.17Å; T547-D549 VanDerWaalsContact CG2-OD2 3.25Å; T547-D549 WeakPolarHBondContact CG2-OD2 3.49Å
548	T	21.3	Very low	22.1	Very low	100 Å²	100	98.8 Å²	98.8	61%	0.613	57%	0.569	S	S	*	*				178.8	112.3	109.6	30	0	0	0	0	108.7	V286 P287	V286-T548 HydrophobicContact CB-CG2 4.03Å; V286-T548 HydrophobicContact CG1-CG2 3.66Å; V286-T548 HydrophobicContact CG2-CG2 3.63Å; P287-T548 HydrophobicContact CB-CG2 4.46Å
549	D	20.2	Very low	22	Very low	76 Å²	76	97.3 Å²	97.3	41%	0.406	58%	0.576	S	S	.	*			cis	65.7	92.1	49.2	-45.9	-53.2	0	0	0	112.1	V286 V288 T547	V286-D549 PolarHBondContact N-O 3.37Å; V288-D549 VanDerWaalsContact N-CG 3.33Å; V288-D549 PolarHBondContact N-OD2 3.2Å; T547-D549 VanDerWaalsContact CG2-OD2 3.25Å; T547-D549 WeakPolarHBondContact CG2-OD2 3.49Å
550	G	21.9	Very low	22	Very low	62 Å²	62	97.7 Å²	97.7	64%	0.639	58%	0.577	S	S	*	*			trans	-174.1	121.3	175.9	0	0	0	0	0	108.4
551	G	21.9	Very low	21.8	Very low	80 Å²	80	97.8 Å²	97.8	83%	0.825	57%	0.574	S	S	*	*			trans	-55.8	152.7	-178.8	0	0	0	0	0	112.5
552	G	21.9	Very low	21.9	Very low	61 Å²	61	100.5 Å²	100.5	63%	0.629	58%	0.582	S	S	*	*			cis	86	128.5	20	0	0	0	0	0	110.1
553	T	20.7	Very low	21.7	Very low	98 Å²	98	99.1 Å²	99.1	60%	0.601	59%	0.586	S	S	*	*			trans	66.6	159.3	-175	83.7	0	0	0	0	114.4	M186 P187	M186-T553 HydrophobicContact SD-CG2 4.11Å; P187-T553 HydrophobicContact CG-CG2 3.72Å
554	V	23.2	Very low	21.7	Very low	105 Å²	105	104 Å²	104	64%	0.636	61%	0.61	S	S	*	*			cis	-128.5	126.2	-4.3	178.1	0	0	0	0	110	P187	P187-V554 HydrophobicContact CB-CG1 4.07Å; P187-V554 HydrophobicContact CG-CB 4.22Å; P187-V554 HydrophobicContact CG-CG1 4.12Å; P187-V554 HydrophobicContact CG-CG2 4.27Å
555	F	20	Very low	21.7	Very low	134 Å²	134	103.9 Å²	103.9	59%	0.588	61%	0.61	S	S	*	*	S	Bend		-158.2	113.3	121.4	-140.8	-96.4	0	0	0	110	P187 S188	P187-F555 VanDerWaalsContact CB-C 3.44Å; S188-F555 CarbonylContact C-O 2.87Å; S188-F555 WeakPolarHBondContact CA-O 3.22Å; S188-F555 PolarHBondContact N-O 3.36Å
556	T	21.1	Very low	21.6	Very low	62 Å²	62	103.8 Å²	103.8	38%	0.38	60%	0.601	S	S	.	*			trans	50.5	149.4	160	58.8	0	0	0	0	121.9	S188	S188-T556 PolarHBondContact N-O 3.11Å
557	E	21.1	Very low	21.9	Very low	108 Å²	108	104.7 Å²	104.7	51%	0.505	61%	0.612	S	S	.	*			cis	-162.7	162.5	-38	-127.7	164	-126	0	0	111.1	M186	M186-E557 CarbonylContact O-C 3.37Å; M186-E557 WeakPolarHBondContact O-CA 3.41Å
558	R	23.3	Very low	22.3	Very low	187 Å²	187	108.2 Å²	108.2	71%	0.706	63%	0.634	S	S	*	*			trans	64	115.2	152.6	-77.4	166	161.9	123.4	-2.9	119.8	M186	M186-R558 PolarHBondContact O-N 2.85Å
559	A	22.3	Very low	22.6	Very low	97 Å²	97	111.1 Å²	111.1	80%	0.802	64%	0.638	S	S	*	*			trans	74.9	80.4	135.1	0	0	0	0	0	117.5
560	D	22.7	Very low	23.2	Very low	111 Å²	111	110.7 Å²	110.7	59%	0.594	65%	0.652	S	S	*	*	S	Bend	trans	-53	-178.7	134.3	-151.1	-25.3	0	0	0	111.8	M1145	D560-M1145 VanDerWaalsContact OD1-CE 3.28Å; D560-M1145 WeakPolarHBondContact OD1-CE 3.34Å
561	E	23	Very low	23.2	Very low	124 Å²	124	115.4 Å²	115.4	58%	0.579	66%	0.661	S	S	*	*	S	Bend	trans	-53.4	141.2	179.5	-74.3	-165.3	125	0	0	116.1
562	K	24.2	Very low	23.2	Very low	143 Å²	143	117.6 Å²	117.6	62%	0.622	65%	0.654	S	S	*	*			trans	72.3	134.6	140.7	-69.2	161.1	-167.3	152.2	0	121.3
563	T	21.9	Very low	23.8	Very low	124 Å²	124	122.6 Å²	122.6	76%	0.761	66%	0.661	S	S	*	*			trans	67.9	142.3	140.4	52.4	0	0	0	0	120.8
564	L	20.2	Very low	23.9	Very low	143 Å²	143	125 Å²	125	75%	0.749	67%	0.669	S	S	*	*			trans	68.8	128.6	162	-98.6	60.1	0	0	0	118
565	N	22.3	Very low	24	Very low	133 Å²	133	126.3 Å²	126.3	71%	0.711	68%	0.678	S	S	*	*				34.9	117.7	114.5	-51.6	15.6	0	0	0	115.6
566	D	20.4	Very low	24.2	Very low	116 Å²	116	122.9 Å²	122.9	62%	0.62	68%	0.68	S	S	*	*				66.8	144	72	-173.3	39	0	0	0	113.5
567	S	24.8	Very low	24.4	Very low	79 Å²	79	123.4 Å²	123.4	55%	0.552	69%	0.686	S	S	*	*			trans	68.2	143.1	-167.5	-61.9	0	0	0	0	114.9
568	T	31	Very low	24.4	Very low	129 Å²	129	123.9 Å²	123.9	79%	0.791	70%	0.701	S	S	*	*			cis	-147.7	169	-10	2.2	0	0	0	0	112.3
569	K	26.6	Very low	24.5	Very low	162 Å²	162	119.7 Å²	119.7	70%	0.704	71%	0.707	S	S	*	*			trans	-76.7	158.3	-173.4	-56.9	168.5	172.5	-179.5	0	114.3	N180	N180-K569 PolarHBondContact OD1-NZ 3.46Å
570	G	31.9	Very low	24.5	Very low	67 Å²	67	126.7 Å²	126.7	69%	0.691	71%	0.712	S	S	*	*			trans	147.8	123.8	166.4	0	0	0	0	0	111.1
571	L	22.2	Very low	24.5	Very low	160 Å²	160	125.7 Å²	125.7	84%	0.838	72%	0.719	S	S	*	*			cis	62.2	119	12.6	-150.1	68.2	0	0	0	111.9
572	D	22.5	Very low	24.9	Very low	126 Å²	126	124 Å²	124	67%	0.674	72%	0.719	S	S	*	*			cis	-152	-174.7	19.1	-143.1	-32.4	0	0	0	112.2
573	Q	33.9	Very low	25.2	Very low	167 Å²	167	123.5 Å²	123.5	78%	0.78	73%	0.728	S	S	*	*			trans	72.9	140.8	168.3	-58.4	158.1	29	0	0	116.7
574	L	24.3	Very low	25.7	Very low	147 Å²	147	125.5 Å²	125.5	77%	0.77	73%	0.726	S	S	*	*			cis	-151.8	171.4	-2.7	-119.7	168.5	0	0	0	112
575	T	23.7	Very low	26.6	Very low	134 Å²	134	121.1 Å²	121.1	82%	0.822	71%	0.708	S	S	*	*			trans	-64.4	153.2	-174.5	51.3	0	0	0	0	116
576	G	24.9	Very low	27.8	Very low	62 Å²	62	117.2 Å²	117.2	64%	0.639	69%	0.689	S	S	*	*			trans	-174	22	171.9	0	0	0	0	0	120.9
577	C	25.4	Very low	29.6	Very low	73 Å²	73	112.7 Å²	112.7	49%	0.493	67%	0.665	S	S	.	*			trans	-122.3	119.5	-179.9	-129.1	0	0	0	0	115.2	T282 L283	T282-C577 VanDerWaalsContact CB-SG 3.59Å; T282-C577 HydrophobicContact CG2-CB 4.21Å; T282-C577 WeakPolarHBondContact CG2-SG 3.4Å; L283-C577 HydrophobicContact CD1-CB 4.25Å; L283-C577 HydrophobicContact CD2-CB 3.65Å; L283-C577 VanDerWaalsContact CD2-SG 3.58Å; L283-C577 HydrophobicContact CG-CB 3.84Å
578	S	20.5	Very low	31.3	Very low	117 Å²	117	112.2 Å²	112.2	82%	0.818	65%	0.651	S	S	*	*			trans	-122.8	156.9	156.4	-173.4	0	0	0	0	109.3
579	A	25.5	Very low	33.2	Very low	100 Å²	100	106.1 Å²	106.1	83%	0.826	61%	0.614	S	S	*	*			trans	-31.3	132.7	-166	0	0	0	0	0	118.2
580	R	22.9	Very low	34.8	Very low	243 Å²	243	102.6 Å²	102.6	92%	0.917	60%	0.602	S	S	*	*			trans	-124.8	101.1	156.6	-162.9	175	-168.2	-178.3	5	113.9
581	A	23	Very low	36.5	Very low	90 Å²	90	104.4 Å²	104.4	74%	0.744	60%	0.596	S	S	*	*			trans	-149.5	161.7	150.1	0	0	0	0	0	107.6
582	P	31.8	Very low	38.9	Very low	89 Å²	89	99.8 Å²	99.8	58%	0.578	58%	0.576	S	S	*	*			cis	-125.5	142	-5.1	36.4	-21	0	0	0	113.8	K584	P582-K584 PolarHBondContact O-N 2.82Å
583	T	29.8	Very low	40.8	Very low	133 Å²	133	101.7 Å²	101.7	82%	0.816	58%	0.581	S	S	*	*			trans	-77.8	110.9	156.5	37.1	0	0	0	0	109.2	S585	T583-S585 PolarHBondContact O-N 3.13Å; T583-S585 VanDerWaalsContact O-N 3.08Å
584	K	32.2	Very low	42	Very low	165 Å²	165	95.3 Å²	95.3	72%	0.717	56%	0.557	S	S	*	*			trans	-63.6	110	-176.5	-64.7	177	-177.2	176.7	0	110.3	P582	P582-K584 PolarHBondContact O-N 2.82Å
585	S	39.1	Very low	43.7	Very low	52 Å²	52	96.1 Å²	96.1	36%	0.364	55%	0.554	S	S	.	*			trans	-126.9	-26.9	158.4	60.4	0	0	0	0	111.9	T583 R598	T583-S585 PolarHBondContact O-N 3.13Å; T583-S585 VanDerWaalsContact O-N 3.08Å; S585-R598 WeakPolarHBondContact O-CA 3.17Å; S585-R598 WeakPolarHBondContact O-CB 3.25Å; S585-R598 VanDerWaalsContact O-CG 3.25Å; S585-R598 WeakPolarHBondContact O-CG 2.84Å; S585-R598 PolarHBondContact OG-NE 3.28Å
586	T	48.4	Very low	45.9	Very low	50 Å²	50	90.9 Å²	90.9	31%	0.307	52%	0.521	S	S	.	.	S	Bend	trans	-60.5	142	148.1	24.5	0	0	0	0	109	Y588	T586-Y588 WeakPolarHBondContact O-CD2 3.24Å; T586-Y588 WeakPolarHBondContact O-CE2 3.41Å; T586-Y588 WeakPolarHBondContact OG1-CE2 3.44Å; T586-Y588 PolarHBondContact OG1-OH 2.85Å
587	L	56.9	Low	47.7	Very low	22 Å²	22	91.1 Å²	91.1	12%	0.115	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.6	178.7	-67.5	156.2	0	0	0	106.3	I596 M600 L603 L739	L587-I596 PolarHBondContact N-O 3.38Å; L587-I596 CarbonylContact O-C 3.49Å; L587-I596 WeakPolarHBondContact O-CA 3.08Å; L587-I596 PolarHBondContact O-N 3.39Å; L587-I596 VanDerWaalsContact O-O 3.05Å; L587-M600 HydrophobicContact CD1-CE 4.35Å; L587-L603 HydrophobicContact CB-CD1 3.99Å; L587-L739 HydrophobicContact CB-CD1 3.95Å; L587-L739 HydrophobicContact CB-CD2 3.65Å; L587-L739 HydrophobicContact CB-CG 4.45Å; L587-L739 HydrophobicContact CD1-CD1 4.1Å; L587-L739 HydrophobicContact CD1-CD2 3.53Å; L587-L739 HydrophobicContact CD1-CG 4.18Å; L587-L739 HydrophobicContact CD2-CD1 4.35Å; L587-L739 HydrophobicContact CG-CD1 4.32Å; L587-L739 HydrophobicContact CG-CD2 4.15Å
588	Y	61.9	Low	49.3	Very low	69 Å²	69	96.6 Å²	96.6	27%	0.271	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.4	-158.2	-68.4	-111	0	0	0	108.4	T586 N590 A594 K595	T586-Y588 WeakPolarHBondContact O-CD2 3.24Å; T586-Y588 WeakPolarHBondContact O-CE2 3.41Å; T586-Y588 WeakPolarHBondContact OG1-CE2 3.44Å; T586-Y588 PolarHBondContact OG1-OH 2.85Å; Y588-N590 PolarHBondContact O-N 3.34Å; Y588-N590 VanDerWaalsContact O-N 3.16Å; Y588-A594 WeakPolarHBondContact CA-O 3.32Å; Y588-K595 HydrophobicContact CD1-CG 3.88Å; Y588-K595 HydrophobicContact CE1-CD 4.28Å; Y588-K595 HydrophobicContact CE1-CG 3.46Å; Y588-K595 VanDerWaalsContact CE1-CG 3.46Å
589	C	69.1	Low	51.2	Low	1 Å²	1	92.7 Å²	92.7	1%	0.007	49%	0.493	C	S	.	.			trans	-67.5	120.5	-177	-165.9	0	0	0	0	111.3	L591 C592 Q593 A594 I596 L603 H606 H610 D737	C589-L591 PolarHBondContact O-N 3.21Å; C589-C592 PolarHBondContact O-N 3.22Å; C589-Q593 WeakPolarHBondContact O-CA 3.42Å; C589-Q593 PolarHBondContact O-N 3.4Å; C589-A594 PolarHBondContact N-O 3.34Å; C589-I596 HydrophobicContact CB-CD1 4.46Å; C589-L603 HydrophobicContact CB-CD2 3.69Å; C589-H606 WeakPolarHBondContact CB-NE2 3.47Å; C589-H606 PolarHBondContact SG-CD2 2.94Å; C589-H606 PolarHBondContact SG-NE2 2.6Å; C589-H610 VanDerWaalsContact SG-CD2 3.58Å; C589-H610 PolarHBondContact SG-NE2 3.46Å; C589-D737 WeakPolarHBondContact CA-OD2 3.35Å; C589-D737 PolarHBondContact SG-OD2 3.46Å
590	N	60.1	Low	53.2	Low	87 Å²	87	88.9 Å²	88.9	47%	0.465	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.5	178.5	-78.9	5.4	0	0	0	111.8	Y588 S736 D737	Y588-N590 PolarHBondContact O-N 3.34Å; Y588-N590 VanDerWaalsContact O-N 3.16Å; N590-S736 WeakPolarHBondContact ND2-CA 3.4Å; N590-S736 WeakPolarHBondContact ND2-CB 3.11Å; N590-S736 PolarHBondContact ND2-OG 3.31Å; N590-D737 HydrophobicContact CB-CB 4.06Å; N590-D737 PolarHBondContact N-OD2 3Å
591	L	68	Low	55.1	Low	106 Å²	106	78.1 Å²	78.1	56%	0.555	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-11.4	-176.9	-61.3	174.6	0	0	0	114.9	C589 H610 L738	C589-L591 PolarHBondContact O-N 3.21Å; L591-H610 HydrophobicContact CD1-CB 3.72Å; L591-L738 HydrophobicContact CD1-CD1 4.38Å
592	C	72.7	Confident	57.4	Low	63 Å²	63	75.9 Å²	75.9	43%	0.426	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154	14.9	175.4	80.3	0	0	0	0	115.3	C589 A594 H606	C589-C592 PolarHBondContact O-N 3.22Å; C592-A594 PolarHBondContact O-N 3.01Å; C592-H606 PolarHBondContact SG-CE1 2.83Å; C592-H606 PolarHBondContact SG-NE2 2.89Å
593	Q	62.2	Low	59.4	Low	165 Å²	165	71.6 Å²	71.6	77%	0.771	37%	0.371	S	S	*	.			trans	53.4	11.3	179.3	-53.7	-172.5	10.1	0	0	116.8	C589 K595	C589-Q593 WeakPolarHBondContact O-CA 3.42Å; C589-Q593 PolarHBondContact O-N 3.4Å; Q593-K595 PolarHBondContact O-N 3.3Å
594	A	59.3	Low	61.4	Low	34 Å²	34	65.3 Å²	65.3	28%	0.281	33%	0.332	S	S	.	.			trans	-65.3	127	-175.3	0	0	0	0	0	112.1	Y588 C589 C592 I596	Y588-A594 WeakPolarHBondContact CA-O 3.32Å; C589-A594 PolarHBondContact N-O 3.34Å; C592-A594 PolarHBondContact O-N 3.01Å; A594-I596 HydrophobicContact CB-CD1 4.18Å; A594-I596 HydrophobicContact CB-CG1 4.36Å; A594-I596 PolarHBondContact O-N 3.25Å; A594-I596 VanDerWaalsContact O-N 3.16Å
595	K	60.1	Low	62.9	Low	163 Å²	163	59 Å²	59	71%	0.709	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	105.5	173.4	-75.2	168.7	-177.9	168.2	0	110.2	Y588 Q593	Y588-K595 HydrophobicContact CD1-CG 3.88Å; Y588-K595 HydrophobicContact CE1-CD 4.28Å; Y588-K595 HydrophobicContact CE1-CG 3.46Å; Y588-K595 VanDerWaalsContact CE1-CG 3.46Å; Q593-K595 PolarHBondContact O-N 3.3Å
596	I	69.6	Low	64.5	Low	25 Å²	25	58.6 Å²	58.6	13%	0.128	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	151.2	-179.3	-66.7	163.3	0	0	0	109.9	L587 C589 A594 C602 L603 H606	L587-I596 PolarHBondContact N-O 3.38Å; L587-I596 CarbonylContact O-C 3.49Å; L587-I596 WeakPolarHBondContact O-CA 3.08Å; L587-I596 PolarHBondContact O-N 3.39Å; L587-I596 VanDerWaalsContact O-O 3.05Å; C589-I596 HydrophobicContact CB-CD1 4.46Å; A594-I596 HydrophobicContact CB-CD1 4.18Å; A594-I596 HydrophobicContact CB-CG1 4.36Å; A594-I596 PolarHBondContact O-N 3.25Å; A594-I596 VanDerWaalsContact O-N 3.16Å; I596-C602 HydrophobicContact CG2-CB 3.59Å; I596-C602 VanDerWaalsContact CG2-O 3.28Å; I596-C602 WeakPolarHBondContact CG2-O 3.46Å; I596-L603 HydrophobicContact CB-CD1 3.72Å; I596-L603 HydrophobicContact CB-CG 3.88Å; I596-L603 HydrophobicContact CD1-CD1 4.15Å; I596-L603 HydrophobicContact CD1-CD2 3.61Å; I596-L603 HydrophobicContact CD1-CG 3.58Å; I596-L603 HydrophobicContact CG1-CG 4.31Å; I596-L603 HydrophobicContact CG2-CB 4.49Å; I596-L603 HydrophobicContact CG2-CD1 3.95Å; I596-L603 HydrophobicContact CG2-CG 3.78Å; I596-H606 HydrophobicContact CD1-CB 4.03Å
597	S	62.5	Low	65.5	Low	66 Å²	66	56.2 Å²	56.2	46%	0.462	29%	0.289	S	S	.	.			trans	-66.8	156.2	-166.3	50.9	0	0	0	0	113.9	N599 C602	S597-N599 PolarHBondContact O-N 2.8Å; S597-C602 VanDerWaalsContact OG-CB 3.29Å; S597-C602 WeakPolarHBondContact OG-CB 3.39Å; S597-C602 PolarHBondContact OG-SG 3.48Å
598	R	58.9	Low	66	Low	189 Å²	189	57.1 Å²	57.1	71%	0.713	29%	0.292	S	S	*	.	S	Bend	trans	-56.9	-11.5	-164.7	-49.8	-169.4	163.1	114.4	-4.9	119	S585	S585-R598 WeakPolarHBondContact O-CA 3.17Å; S585-R598 WeakPolarHBondContact O-CB 3.25Å; S585-R598 VanDerWaalsContact O-CG 3.25Å; S585-R598 WeakPolarHBondContact O-CG 2.84Å; S585-R598 PolarHBondContact OG-NE 3.28Å
599	N	61.3	Low	66.1	Low	35 Å²	35	58.3 Å²	58.3	19%	0.187	31%	0.306	C	S	.	.	S	Bend	trans	-94.2	139	-176.2	-158.5	-10.3	0	0	0	109.2	S597 S601 C602 L739	S597-N599 PolarHBondContact O-N 2.8Å; N599-S601 PolarHBondContact ND2-OG 2.77Å; N599-S601 PolarHBondContact O-N 2.8Å; N599-S601 PolarHBondContact OD1-OG 3.48Å; N599-S601 VanDerWaalsContact OD1-OG 3.04Å; N599-C602 PolarHBondContact O-N 2.91Å; N599-C602 VanDerWaalsContact O-N 3.09Å; N599-L739 WeakPolarHBondContact O-CD2 3.38Å
600	M	67.1	Low	65.8	Low	20 Å²	20	61.7 Å²	61.7	10%	0.099	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-42.8	-45.6	171.7	-159.3	65.8	21.5	0	0	108.1	L587 C602 K662 F666 L739 Q740 F742	L587-M600 HydrophobicContact CD1-CE 4.35Å; M600-C602 PolarHBondContact O-N 3.03Å; M600-K662 HydrophobicContact SD-CG 4.49Å; M600-F666 HydrophobicContact CE-CD2 4.36Å; M600-F666 HydrophobicContact CE-CE2 3.3Å; M600-F666 HydrophobicContact CE-CZ 3.46Å; M600-F666 VanDerWaalsContact CE-CZ 3.46Å; M600-F666 HydrophobicContact SD-CE2 4.03Å; M600-L739 HydrophobicContact CE-CD1 4.18Å; M600-L739 HydrophobicContact CE-CG 3.85Å; M600-L739 HydrophobicContact CG-CG 4.45Å; M600-L739 CarbonylContact O-C 3.54Å; M600-L739 WeakPolarHBondContact O-CA 3.27Å; M600-L739 WeakPolarHBondContact O-CB 3.48Å; M600-L739 WeakPolarHBondContact O-CD2 3.13Å; M600-L739 VanDerWaalsContact SD-CA 3.55Å; M600-L739 HydrophobicContact SD-CB 4.21Å; M600-L739 HydrophobicContact SD-CD1 4.32Å; M600-L739 HydrophobicContact SD-CG 3.78Å; M600-Q740 WeakPolarHBondContact O-CA 3.49Å; M600-Q740 VanDerWaalsContact O-CB 3.26Å; M600-Q740 WeakPolarHBondContact O-CB 3.24Å; M600-Q740 PolarHBondContact O-N 3.09Å; M600-F742 HydrophobicContact CB-CB 4.43Å; M600-F742 HydrophobicContact CB-CD1 3.6Å; M600-F742 HydrophobicContact CB-CE1 3.97Å; M600-F742 HydrophobicContact CB-CG 3.97Å; M600-F742 HydrophobicContact CG-CD1 4.06Å; M600-F742 HydrophobicContact CG-CD2 4.32Å; M600-F742 HydrophobicContact CG-CE1 4.09Å; M600-F742 HydrophobicContact CG-CE2 4.34Å; M600-F742 HydrophobicContact CG-CG 4.21Å; M600-F742 HydrophobicContact CG-CZ 4.25Å
601	S	62.4	Low	66.2	Low	17 Å²	17	60.1 Å²	60.1	12%	0.119	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-37.3	-1.1	167.5	-39.2	0	0	0	0	121.9	N599 Q740 F742	N599-S601 PolarHBondContact ND2-OG 2.77Å; N599-S601 PolarHBondContact O-N 2.8Å; N599-S601 PolarHBondContact OD1-OG 3.48Å; N599-S601 VanDerWaalsContact OD1-OG 3.04Å; S601-Q740 VanDerWaalsContact O-CG 3.23Å; S601-Q740 WeakPolarHBondContact O-CG 3.5Å; S601-Q740 PolarHBondContact O-NE2 2.98Å; S601-F742 WeakPolarHBondContact CB-O 3.39Å; S601-F742 WeakPolarHBondContact OG-CB 3.15Å; S601-F742 PolarHBondContact OG-O 3.08Å
602	C	71.2	Confident	65.8	Low	42 Å²	42	57.9 Å²	57.9	28%	0.284	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-125.3	-8.4	-170.6	-64.2	0	0	0	0	115.7	I596 S597 N599 M600 Q740	I596-C602 HydrophobicContact CG2-CB 3.59Å; I596-C602 VanDerWaalsContact CG2-O 3.28Å; I596-C602 WeakPolarHBondContact CG2-O 3.46Å; S597-C602 VanDerWaalsContact OG-CB 3.29Å; S597-C602 WeakPolarHBondContact OG-CB 3.39Å; S597-C602 PolarHBondContact OG-SG 3.48Å; N599-C602 PolarHBondContact O-N 2.91Å; N599-C602 VanDerWaalsContact O-N 3.09Å; M600-C602 PolarHBondContact O-N 3.03Å; C602-Q740 VanDerWaalsContact C-CD 3.47Å; C602-Q740 PolarHBondContact O-OE1 2.87Å
603	L	75.7	Confident	65.5	Low	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-106.5	-36.4	179.7	-105.8	148.3	0	0	0	120.5	L587 C589 I596 A605 H606 A607 D737 L738 L739 Q740	L587-L603 HydrophobicContact CB-CD1 3.99Å; C589-L603 HydrophobicContact CB-CD2 3.69Å; I596-L603 HydrophobicContact CB-CD1 3.72Å; I596-L603 HydrophobicContact CB-CG 3.88Å; I596-L603 HydrophobicContact CD1-CD1 4.15Å; I596-L603 HydrophobicContact CD1-CD2 3.61Å; I596-L603 HydrophobicContact CD1-CG 3.58Å; I596-L603 HydrophobicContact CG1-CG 4.31Å; I596-L603 HydrophobicContact CG2-CB 4.49Å; I596-L603 HydrophobicContact CG2-CD1 3.95Å; I596-L603 HydrophobicContact CG2-CG 3.78Å; L603-A605 PolarHBondContact O-N 2.57Å; L603-H606 HydrophobicContact CD2-CB 4.35Å; L603-H606 VanDerWaalsContact CD2-CD2 3.48Å; L603-H606 WeakPolarHBondContact CD2-CD2 3.3Å; L603-H606 CarbonylContact O-C 3.34Å; L603-H606 VanDerWaalsContact O-C 3.26Å; L603-H606 WeakPolarHBondContact O-CA 3.3Å; L603-H606 WeakPolarHBondContact O-CB 3.17Å; L603-H606 PolarHBondContact O-N 3.11Å; L603-A607 PolarHBondContact O-N 2.96Å; L603-D737 WeakPolarHBondContact CD1-OD1 3.29Å; L603-L738 HydrophobicContact CB-CD2 4.18Å; L603-L738 HydrophobicContact CD2-CD2 3.27Å; L603-L738 HydrophobicContact CD2-CG 4.39Å; L603-L738 HydrophobicContact CG-CD2 4.36Å; L603-L739 HydrophobicContact CB-CB 3.22Å; L603-L739 HydrophobicContact CB-CD1 4.39Å; L603-L739 HydrophobicContact CB-CD2 3.7Å; L603-L739 HydrophobicContact CB-CG 3.92Å; L603-L739 HydrophobicContact CD1-CD1 4.24Å; L603-L739 HydrophobicContact CD1-CD2 3.8Å; L603-L739 HydrophobicContact CD1-CG 4.39Å; L603-L739 HydrophobicContact CG-CB 4.46Å; L603-L739 HydrophobicContact CG-CD2 4.33Å; L603-Q740 VanDerWaalsContact CA-OE1 3.29Å
604	I	70.7	Confident	66.2	Low	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.4	-26.6	175.6	-92.5	163.5	0	0	0	115	H606 A607 K608 I658 M661 L738 L739 Q740 N741	I604-H606 PolarHBondContact O-N 2.96Å; I604-A607 HydrophobicContact CB-CB 4.16Å; I604-A607 HydrophobicContact CG1-CB 3.76Å; I604-A607 CarbonylContact O-C 3.54Å; I604-A607 WeakPolarHBondContact O-CB 3.48Å; I604-A607 PolarHBondContact O-N 3.35Å; I604-K608 HydrophobicContact CG2-CD 3.8Å; I604-K608 HydrophobicContact CG2-CG 4.11Å; I604-K608 VanDerWaalsContact O-CB 3.26Å; I604-K608 WeakPolarHBondContact O-CB 3.02Å; I604-K608 WeakPolarHBondContact O-CD 3.47Å; I604-K608 WeakPolarHBondContact O-CG 3.18Å; I604-K608 PolarHBondContact O-N 2.86Å; I604-I658 HydrophobicContact CD1-CB 3.84Å; I604-I658 HydrophobicContact CD1-CD1 4.01Å; I604-I658 HydrophobicContact CD1-CG1 3.55Å; I604-I658 HydrophobicContact CD1-CG2 3.51Å; I604-I658 HydrophobicContact CG1-CG1 4.24Å; I604-I658 HydrophobicContact CG2-CD1 4.22Å; I604-M661 HydrophobicContact CD1-SD 4.32Å; I604-M661 HydrophobicContact CG1-SD 4.25Å; I604-L738 WeakPolarHBondContact CD1-O 3.26Å; I604-L738 HydrophobicContact CG1-CB 3.8Å; I604-L738 VanDerWaalsContact CG1-O 3.25Å; I604-L738 WeakPolarHBondContact CG1-O 3.45Å; I604-L739 VanDerWaalsContact CA-O 3.27Å; I604-L739 WeakPolarHBondContact CA-O 3.15Å; I604-L739 WeakPolarHBondContact CB-O 3.29Å; I604-L739 WeakPolarHBondContact CD1-O 3.36Å; I604-L739 WeakPolarHBondContact CG1-O 3.18Å; I604-L739 PolarHBondContact N-O 3.4Å; I604-Q740 HydrophobicContact CB-CB 3.84Å; I604-Q740 WeakPolarHBondContact CD1-O 3.47Å; I604-N741 WeakPolarHBondContact CG2-ND2 3.37Å
605	A	64.7	Low	66.5	Low	34 Å²	34	52.9 Å²	52.9	28%	0.281	27%	0.273	S	S	.	.	H	α-helix	trans	-70.5	-16.9	167.5	0	0	0	0	0	111.7	L603 Q740	L603-A605 PolarHBondContact O-N 2.57Å; A605-Q740 VanDerWaalsContact CB-CD 3.45Å; A605-Q740 HydrophobicContact CB-CG 4.47Å; A605-Q740 VanDerWaalsContact N-CD 3.29Å
606	H	72.5	Confident	67.5	Low	42 Å²	42	46.6 Å²	46.6	19%	0.194	25%	0.247	C	C	.	.	H	α-helix	trans	-87.3	-35.5	162.3	174.4	92.1	0	0	0	112	C589 C592 I596 L603 I604 K608 V609 H610	C589-H606 WeakPolarHBondContact CB-NE2 3.47Å; C589-H606 PolarHBondContact SG-CD2 2.94Å; C589-H606 PolarHBondContact SG-NE2 2.6Å; C592-H606 PolarHBondContact SG-CE1 2.83Å; C592-H606 PolarHBondContact SG-NE2 2.89Å; I596-H606 HydrophobicContact CD1-CB 4.03Å; L603-H606 HydrophobicContact CD2-CB 4.35Å; L603-H606 VanDerWaalsContact CD2-CD2 3.48Å; L603-H606 WeakPolarHBondContact CD2-CD2 3.3Å; L603-H606 CarbonylContact O-C 3.34Å; L603-H606 VanDerWaalsContact O-C 3.26Å; L603-H606 WeakPolarHBondContact O-CA 3.3Å; L603-H606 WeakPolarHBondContact O-CB 3.17Å; L603-H606 PolarHBondContact O-N 3.11Å; I604-H606 PolarHBondContact O-N 2.96Å; H606-K608 VanDerWaalsContact C-N 3.27Å; H606-K608 PolarHBondContact O-N 3.24Å; H606-V609 WeakPolarHBondContact O-CA 3.46Å; H606-V609 WeakPolarHBondContact O-CB 3.18Å; H606-V609 PolarHBondContact O-N 2.82Å; H606-H610 AromaticContact CD2-CD2 3.9Å; H606-H610 AromaticContact CD2-NE2 3.48Å; H606-H610 PolarHBondContact CD2-NE2 3.13Å; H606-H610 AromaticContact CE1-NE2 3.68Å; H606-H610 AromaticContact NE2-CD2 3.86Å; H606-H610 AromaticContact NE2-CE1 3.82Å; H606-H610 AromaticContact NE2-NE2 2.97Å; H606-H610 PolarHBondContact NE2-NE2 2.92Å; H606-H610 PolarHBondContact O-N 2.92Å
607	A	68.3	Low	68	Low	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.2	-39.6	167.9	0	0	0	0	0	112.1	L603 I604 V609 H610 L611 M661 L738	L603-A607 PolarHBondContact O-N 2.96Å; I604-A607 HydrophobicContact CB-CB 4.16Å; I604-A607 HydrophobicContact CG1-CB 3.76Å; I604-A607 CarbonylContact O-C 3.54Å; I604-A607 WeakPolarHBondContact O-CB 3.48Å; I604-A607 PolarHBondContact O-N 3.35Å; A607-V609 PolarHBondContact O-N 2.81Å; A607-H610 CarbonylContact O-C 3.57Å; A607-H610 WeakPolarHBondContact O-CA 3.4Å; A607-H610 PolarHBondContact O-N 3.04Å; A607-L611 HydrophobicContact CB-CD1 4.28Å; A607-L611 WeakPolarHBondContact O-CB 3.24Å; A607-L611 WeakPolarHBondContact O-CG 3.36Å; A607-L611 PolarHBondContact O-N 3.25Å; A607-M661 HydrophobicContact CB-SD 4.44Å; A607-L738 HydrophobicContact CB-CB 3.93Å; A607-L738 HydrophobicContact CB-CD1 3.74Å; A607-L738 HydrophobicContact CB-CD2 3.46Å; A607-L738 VanDerWaalsContact CB-CD2 3.46Å; A607-L738 HydrophobicContact CB-CG 3.84Å
608	K	67.4	Low	69.1	Low	41 Å²	41	45 Å²	45	18%	0.178	23%	0.231	C	C	.	.	H	α-helix	trans	-67.4	-10.4	177.4	-74.5	162.1	178.1	173.8	0	112.3	I604 H606 Y613 N741	I604-K608 HydrophobicContact CG2-CD 3.8Å; I604-K608 HydrophobicContact CG2-CG 4.11Å; I604-K608 VanDerWaalsContact O-CB 3.26Å; I604-K608 WeakPolarHBondContact O-CB 3.02Å; I604-K608 WeakPolarHBondContact O-CD 3.47Å; I604-K608 WeakPolarHBondContact O-CG 3.18Å; I604-K608 PolarHBondContact O-N 2.86Å; H606-K608 VanDerWaalsContact C-N 3.27Å; H606-K608 PolarHBondContact O-N 3.24Å; K608-Y613 PolarHBondContact O-N 3.12Å; K608-N741 PolarHBondContact NZ-ND2 3.09Å; K608-N741 PolarHBondContact NZ-OD1 3.45Å
609	V	64	Low	70.3	Confident	95 Å²	95	40.4 Å²	40.4	58%	0.576	22%	0.218	S	C	*	.	H	α-helix	trans	-78.2	-56	163.4	-170.9	0	0	0	0	108.9	H606 A607 L611 A612	H606-V609 WeakPolarHBondContact O-CA 3.46Å; H606-V609 WeakPolarHBondContact O-CB 3.18Å; H606-V609 PolarHBondContact O-N 2.82Å; A607-V609 PolarHBondContact O-N 2.81Å; V609-L611 PolarHBondContact O-N 3.19Å; V609-A612 WeakPolarHBondContact O-CA 3.44Å; V609-A612 PolarHBondContact O-N 3.3Å
610	H	63.2	Low	71.3	Confident	71 Å²	71	42.6 Å²	42.6	33%	0.329	22%	0.224	S	C	.	.	H	α-helix	trans	-58.4	-47.1	178.8	-60.9	-45.9	0	0	0	114	C589 L591 H606 A607 A612	C589-H610 VanDerWaalsContact SG-CD2 3.58Å; C589-H610 PolarHBondContact SG-NE2 3.46Å; L591-H610 HydrophobicContact CD1-CB 3.72Å; H606-H610 AromaticContact CD2-CD2 3.9Å; H606-H610 AromaticContact CD2-NE2 3.48Å; H606-H610 PolarHBondContact CD2-NE2 3.13Å; H606-H610 AromaticContact CE1-NE2 3.68Å; H606-H610 AromaticContact NE2-CD2 3.86Å; H606-H610 AromaticContact NE2-CE1 3.82Å; H606-H610 AromaticContact NE2-NE2 2.97Å; H606-H610 PolarHBondContact NE2-NE2 2.92Å; H606-H610 PolarHBondContact O-N 2.92Å; A607-H610 CarbonylContact O-C 3.57Å; A607-H610 WeakPolarHBondContact O-CA 3.4Å; A607-H610 PolarHBondContact O-N 3.04Å; H610-A612 PolarHBondContact O-N 2.81Å
611	L	67.4	Low	72.2	Confident	54 Å²	54	43.7 Å²	43.7	28%	0.283	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-0.6	176.1	-59.8	173.3	0	0	0	113.2	A607 V609 Y613 M661	A607-L611 HydrophobicContact CB-CD1 4.28Å; A607-L611 WeakPolarHBondContact O-CB 3.24Å; A607-L611 WeakPolarHBondContact O-CG 3.36Å; A607-L611 PolarHBondContact O-N 3.25Å; V609-L611 PolarHBondContact O-N 3.19Å; L611-Y613 PolarHBondContact O-N 3.05Å; L611-M661 HydrophobicContact CD1-CE 3.96Å; L611-M661 HydrophobicContact CD2-CE 4.38Å; L611-M661 HydrophobicContact CG-CE 4.46Å
612	A	60.3	Low	72.9	Confident	60 Å²	60	49.1 Å²	49.1	50%	0.496	26%	0.26	S	S	.	.			trans	48.9	13.8	-176.9	0	0	0	0	0	116.9	V609 H610 K614	V609-A612 WeakPolarHBondContact O-CA 3.44Å; V609-A612 PolarHBondContact O-N 3.3Å; H610-A612 PolarHBondContact O-N 2.81Å; A612-K614 WeakPolarHBondContact O-CG 3.41Å; A612-K614 PolarHBondContact O-N 3.04Å
613	Y	66.6	Low	73.6	Confident	38 Å²	38	50.6 Å²	50.6	15%	0.149	26%	0.262	C	S	.	.			trans	-74.1	112.7	-158.5	-179.4	-136.2	0	0	0	113.6	K608 L611 P615 I654	K608-Y613 PolarHBondContact O-N 3.12Å; L611-Y613 PolarHBondContact O-N 3.05Å; Y613-P615 HydrophobicContact CD1-CG 4.39Å; Y613-P615 HydrophobicContact CE1-CB 4.26Å; Y613-P615 HydrophobicContact CE1-CG 4.02Å; Y613-P615 HydrophobicContact CE2-CB 3.97Å; Y613-P615 HydrophobicContact CE2-CG 4.38Å; Y613-P615 VanDerWaalsContact O-CD 3.31Å; Y613-P615 WeakPolarHBondContact O-CD 3.42Å; Y613-I654 HydrophobicContact CD1-CD1 4.07Å; Y613-I654 HydrophobicContact CD1-CG2 4.08Å; Y613-I654 HydrophobicContact CD2-CD1 3.45Å; Y613-I654 VanDerWaalsContact CD2-CD1 3.45Å; Y613-I654 HydrophobicContact CE1-CD1 4.11Å; Y613-I654 HydrophobicContact CE1-CG2 4.12Å; Y613-I654 HydrophobicContact CE2-CD1 3.53Å; Y613-I654 HydrophobicContact CG-CD1 3.74Å
614	K	77.6	Confident	73.8	Confident	103 Å²	103	55.6 Å²	55.6	45%	0.448	28%	0.281	S	S	.	.			trans	-120.9	75.4	-176.2	-63.8	156.5	-173.8	169.9	0	111.2	A612 L616 R624	A612-K614 WeakPolarHBondContact O-CG 3.41Å; A612-K614 PolarHBondContact O-N 3.04Å; K614-L616 PolarHBondContact O-N 2.98Å; K614-R624 HydrophobicContact CB-CB 3.65Å; K614-R624 HydrophobicContact CD-CB 4.4Å; K614-R624 PolarHBondContact O-NE 3.12Å; K614-R624 PolarHBondContact O-NH2 2.79Å; K614-R624 VanDerWaalsContact O-NH2 3.16Å
615	P	65.5	Low	74.6	Confident	16 Å²	16	56.7 Å²	56.7	10%	0.104	29%	0.286	C	S	.	.			trans	-69.6	-25.3	-172.9	24.3	-35.5	0	0	0	115.6	Y613 Y648 H649	Y613-P615 HydrophobicContact CD1-CG 4.39Å; Y613-P615 HydrophobicContact CE1-CB 4.26Å; Y613-P615 HydrophobicContact CE1-CG 4.02Å; Y613-P615 HydrophobicContact CE2-CB 3.97Å; Y613-P615 HydrophobicContact CE2-CG 4.38Å; Y613-P615 VanDerWaalsContact O-CD 3.31Å; Y613-P615 WeakPolarHBondContact O-CD 3.42Å; P615-Y648 HydrophobicContact CB-CD2 4.26Å; P615-Y648 HydrophobicContact CB-CE2 3.91Å; P615-H649 PolarHBondContact O-N 2.73Å
616	L	80.6	Confident	75.5	Confident	30 Å²	30	59.4 Å²	59.4	16%	0.157	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130	177.7	-58.4	164.7	0	0	0	109.2	K614 R624 H625 M628 I631 V646 Y648	K614-L616 PolarHBondContact O-N 2.98Å; L616-R624 CarbonylContact O-C 3.36Å; L616-R624 VanDerWaalsContact O-CA 3.22Å; L616-R624 WeakPolarHBondContact O-CA 3.33Å; L616-H625 WeakPolarHBondContact CB-O 3.33Å; L616-H625 PolarHBondContact N-O 2.64Å; L616-H625 PolarHBondContact O-N 3.05Å; L616-M628 HydrophobicContact CD1-CB 4.24Å; L616-M628 HydrophobicContact CD1-CE 4.25Å; L616-M628 HydrophobicContact CD2-CE 4.15Å; L616-I631 HydrophobicContact CB-CD1 3.27Å; L616-I631 HydrophobicContact CD1-CD1 4.4Å; L616-I631 HydrophobicContact CG-CD1 4.46Å; L616-I631 WeakPolarHBondContact O-CD1 3.28Å; L616-V646 HydrophobicContact CB-CG1 3.83Å; L616-V646 HydrophobicContact CD2-CG1 3.95Å; L616-V646 HydrophobicContact CG-CG1 4.43Å; L616-Y648 HydrophobicContact CD2-CD2 3.95Å
617	K	80.7	Confident	75.8	Confident	57 Å²	57	58.4 Å²	58.4	25%	0.248	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.4	176.6	-175.5	-170.7	176.2	-179.7	0	108.7	N622 R624 V646 S647	K617-N622 WeakPolarHBondContact CE-OD1 3.12Å; K617-N622 PolarHBondContact NZ-OD1 2.82Å; K617-R624 HydrophobicContact CB-CG 3.91Å; K617-R624 HydrophobicContact CG-CG 3.85Å; K617-V646 CarbonylContact O-C 3.5Å; K617-V646 VanDerWaalsContact O-CA 3.27Å; K617-V646 WeakPolarHBondContact O-CA 3.19Å; K617-V646 WeakPolarHBondContact O-CG1 3.26Å; K617-S647 PolarHBondContact N-O 3.05Å; K617-S647 PolarHBondContact O-N 3.31Å; K617-S647 PolarHBondContact O-OG 2.74Å
618	C	84.7	Confident	76.1	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	139.2	168.4	-166.4	0	0	0	0	109.5	C621 F623 I631	C618-C621 CarbonylContact C-O 2.89Å; C618-F623 PolarHBondContact N-O 2.96Å; C618-I631 HydrophobicContact CB-CG2 4.27Å
619	E	83.6	Confident	76.9	Confident	94 Å²	94	63.6 Å²	63.6	44%	0.439	33%	0.325	S	S	.	.	S	Bend	trans	-76	-26.6	177.2	-76.6	167.9	-129.2	0	0	112.4	R645 V646 S647	E619-R645 HydrophobicContact CB-CB 3.82Å; E619-R645 HydrophobicContact CG-CB 4.16Å; E619-R645 PolarHBondContact N-O 3.26Å; E619-R645 VanDerWaalsContact N-O 3.17Å; E619-R645 WeakPolarHBondContact OE2-CD 3.26Å; E619-V646 VanDerWaalsContact OE1-C 3.27Å; E619-V646 PolarHBondContact OE1-N 2.94Å; E619-S647 PolarHBondContact OE1-N 2.68Å
620	Y	82.8	Confident	77.8	Confident	80 Å²	80	63.8 Å²	63.8	31%	0.314	32%	0.318	S	S	.	.	S	Bend	trans	-85.3	-9.4	-177.2	-54	-58	0	0	0	114.8	H639 K642 P643 R645	Y620-H639 HydrophobicContact CD2-CB 4.31Å; Y620-H639 AromaticContact CD2-CD2 3.97Å; Y620-K642 HydrophobicContact CE2-CB 4.26Å; Y620-P643 VanDerWaalsContact CE2-O 3.28Å; Y620-P643 WeakPolarHBondContact CE2-O 3.23Å; Y620-P643 PolarHBondContact OH-O 3.03Å; Y620-R645 HydrophobicContact CE2-CB 4.05Å; Y620-R645 HydrophobicContact CE2-CG 4.35Å
621	C	85.2	Confident	78.8	Confident	43 Å²	43	60.4 Å²	60.4	29%	0.291	30%	0.302	S	S	.	.	S	Bend	trans	-165.1	167.5	165.4	75.2	0	0	0	0	111.4	C618 F623 H634	C618-C621 CarbonylContact C-O 2.89Å; C621-F623 PolarHBondContact O-N 2.65Å; C621-H634 PolarHBondContact SG-CE1 3.16Å; C621-H634 PolarHBondContact SG-NE2 3.36Å
622	N	79	Confident	79.7	Confident	131 Å²	131	65.1 Å²	65.1	70%	0.701	32%	0.316	S	S	*	.	S	Bend	trans	-67.7	12.6	-177.1	-74.3	-37.8	0	0	0	116.2	K617 R624	K617-N622 WeakPolarHBondContact CE-OD1 3.12Å; K617-N622 PolarHBondContact NZ-OD1 2.82Å; N622-R624 PolarHBondContact O-N 3.25Å
623	F	84.4	Confident	80.8	Confident	73 Å²	73	68.3 Å²	68.3	32%	0.32	32%	0.316	S	S	.	.			trans	-66.2	114.6	175.8	-173.9	-95.8	0	0	0	111.9	C618 C621 H625 I631 H634	C618-F623 PolarHBondContact N-O 2.96Å; C621-F623 PolarHBondContact O-N 2.65Å; F623-H625 HydrophobicContact CE1-CB 4.12Å; F623-H625 AromaticContact CZ-CD2 3.99Å; F623-I631 HydrophobicContact CD1-CG1 4.26Å; F623-I631 HydrophobicContact CE1-CG1 4.29Å; F623-H634 HydrophobicContact CD1-CB 3.75Å; F623-H634 AromaticContact CD1-CD2 3.87Å; F623-H634 AromaticContact CD1-CG 3.43Å; F623-H634 VanDerWaalsContact CD1-CG 3.43Å; F623-H634 AromaticContact CD1-ND1 3.69Å; F623-H634 AromaticContact CD2-ND1 3.9Å; F623-H634 HydrophobicContact CE1-CB 3.68Å; F623-H634 AromaticContact CE1-CG 3.88Å; F623-H634 HydrophobicContact CG-CB 4.47Å; F623-H634 AromaticContact CG-CG 3.77Å; F623-H634 AromaticContact CG-ND1 3.52Å; F623-H634 HydrophobicContact CZ-CB 4.36Å
624	R	81.4	Confident	81.8	Confident	105 Å²	105	67.8 Å²	67.8	40%	0.396	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.8	177.5	-61.1	177.9	68.8	166.1	5.8	111.6	K614 L616 K617 N622	K614-R624 HydrophobicContact CB-CB 3.65Å; K614-R624 HydrophobicContact CD-CB 4.4Å; K614-R624 PolarHBondContact O-NE 3.12Å; K614-R624 PolarHBondContact O-NH2 2.79Å; K614-R624 VanDerWaalsContact O-NH2 3.16Å; L616-R624 CarbonylContact O-C 3.36Å; L616-R624 VanDerWaalsContact O-CA 3.22Å; L616-R624 WeakPolarHBondContact O-CA 3.33Å; K617-R624 HydrophobicContact CB-CG 3.91Å; K617-R624 HydrophobicContact CG-CG 3.85Å; N622-R624 PolarHBondContact O-N 3.25Å
625	H	87.7	Confident	82.1	Confident	23 Å²	23	63 Å²	63	11%	0.106	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	158.5	175.1	-151.8	-73.6	0	0	0	112.1	L616 F623 A627 K630 I631	L616-H625 WeakPolarHBondContact CB-O 3.33Å; L616-H625 PolarHBondContact N-O 2.64Å; L616-H625 PolarHBondContact O-N 3.05Å; F623-H625 HydrophobicContact CE1-CB 4.12Å; F623-H625 AromaticContact CZ-CD2 3.99Å; H625-A627 VanDerWaalsContact C-N 3.25Å; H625-A627 PolarHBondContact ND1-N 2.94Å; H625-A627 PolarHBondContact O-N 2.94Å; H625-K630 HydrophobicContact CB-CB 4.34Å; H625-K630 VanDerWaalsContact NE2-CD 3.33Å; H625-K630 WeakPolarHBondContact NE2-CD 3.4Å; H625-K630 WeakPolarHBondContact NE2-CG 3.42Å; H625-I631 HydrophobicContact CB-CD1 4.06Å; H625-I631 HydrophobicContact CB-CG1 3.86Å
626	F	82.2	Confident	83	Confident	92 Å²	92	66.6 Å²	66.6	40%	0.404	32%	0.316	S	S	.	.	S	Bend	trans	-78.1	-0	171.9	63	-99.3	0	0	0	114.9
627	A	80.3	Confident	83.2	Confident	20 Å²	20	74.7 Å²	74.7	17%	0.165	34%	0.344	C	S	.	.			trans	-142.4	123	-168.1	0	0	0	0	0	112.9	H625 S629 K630 I631	H625-A627 VanDerWaalsContact C-N 3.25Å; H625-A627 PolarHBondContact ND1-N 2.94Å; H625-A627 PolarHBondContact O-N 2.94Å; A627-S629 PolarHBondContact O-N 2.84Å; A627-K630 HydrophobicContact CB-CB 4.46Å; A627-K630 PolarHBondContact O-N 2.95Å; A627-I631 PolarHBondContact O-N 2.86Å
628	M	74.3	Confident	83.3	Confident	75 Å²	75	76 Å²	76	37%	0.369	36%	0.357	S	S	.	.	H	α-helix	trans	-57.5	-33.6	178.2	-176.4	58.1	68.8	0	0	112.8	L616 K630 I631 R632 V646	L616-M628 HydrophobicContact CD1-CB 4.24Å; L616-M628 HydrophobicContact CD1-CE 4.25Å; L616-M628 HydrophobicContact CD2-CE 4.15Å; M628-K630 VanDerWaalsContact C-N 3.3Å; M628-K630 PolarHBondContact O-N 2.65Å; M628-I631 PolarHBondContact O-N 3.19Å; M628-R632 HydrophobicContact CG-CG 4.38Å; M628-R632 WeakPolarHBondContact O-CB 3.42Å; M628-R632 VanDerWaalsContact O-CG 3.31Å; M628-R632 WeakPolarHBondContact O-CG 3.38Å; M628-R632 PolarHBondContact O-N 2.87Å; M628-R632 HydrophobicContact SD-CG 4.28Å; M628-V646 HydrophobicContact CE-CB 4.12Å; M628-V646 HydrophobicContact CE-CG1 4Å; M628-V646 HydrophobicContact CE-CG2 4.04Å; M628-V646 HydrophobicContact SD-CG2 3.93Å
629	S	82.6	Confident	83.1	Confident	76 Å²	76	77.5 Å²	77.5	53%	0.531	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-31.5	176.2	56.1	0	0	0	0	113.4	A627 R633	A627-S629 PolarHBondContact O-N 2.84Å; S629-R633 VanDerWaalsContact O-CB 3.28Å; S629-R633 WeakPolarHBondContact O-CB 3.27Å; S629-R633 PolarHBondContact O-N 3.3Å; S629-R633 VanDerWaalsContact O-N 3.08Å
630	K	83.3	Confident	82.9	Confident	98 Å²	98	75.1 Å²	75.1	43%	0.426	36%	0.364	S	S	.	.	H	α-helix	trans	-80.4	-33.1	175.7	-84.7	-99.2	-159.5	147.3	0	112.4	H625 A627 M628 R633 H634	H625-K630 HydrophobicContact CB-CB 4.34Å; H625-K630 VanDerWaalsContact NE2-CD 3.33Å; H625-K630 WeakPolarHBondContact NE2-CD 3.4Å; H625-K630 WeakPolarHBondContact NE2-CG 3.42Å; A627-K630 HydrophobicContact CB-CB 4.46Å; A627-K630 PolarHBondContact O-N 2.95Å; M628-K630 VanDerWaalsContact C-N 3.3Å; M628-K630 PolarHBondContact O-N 2.65Å; K630-R633 PolarHBondContact O-N 3.32Å; K630-H634 VanDerWaalsContact O-CB 3.26Å; K630-H634 WeakPolarHBondContact O-CB 3.44Å; K630-H634 PolarHBondContact O-N 3.45Å
631	I	84.3	Confident	82.4	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-73.5	-38.6	172.9	-70.4	167.7	0	0	0	111.6	L616 C618 F623 H625 A627 M628 R633 H634 N635 V644 V646	L616-I631 HydrophobicContact CB-CD1 3.27Å; L616-I631 HydrophobicContact CD1-CD1 4.4Å; L616-I631 HydrophobicContact CG-CD1 4.46Å; L616-I631 WeakPolarHBondContact O-CD1 3.28Å; C618-I631 HydrophobicContact CB-CG2 4.27Å; F623-I631 HydrophobicContact CD1-CG1 4.26Å; F623-I631 HydrophobicContact CE1-CG1 4.29Å; H625-I631 HydrophobicContact CB-CD1 4.06Å; H625-I631 HydrophobicContact CB-CG1 3.86Å; A627-I631 PolarHBondContact O-N 2.86Å; M628-I631 PolarHBondContact O-N 3.19Å; I631-R633 VanDerWaalsContact C-N 3.33Å; I631-R633 PolarHBondContact O-N 2.81Å; I631-H634 WeakPolarHBondContact O-CB 3.48Å; I631-H634 PolarHBondContact O-N 2.93Å; I631-N635 WeakPolarHBondContact O-CB 3.44Å; I631-N635 PolarHBondContact O-N 2.81Å; I631-V644 HydrophobicContact CG2-CG1 4.33Å; I631-V646 HydrophobicContact CD1-CG1 4.14Å; I631-V646 HydrophobicContact CG2-CG1 4.31Å; I631-V646 HydrophobicContact CG2-CG2 3.65Å
632	R	87	Confident	81.8	Confident	153 Å²	153	81.5 Å²	81.5	58%	0.577	41%	0.405	S	S	*	.	H	α-helix	trans	-58.1	-45.4	168.1	-73	178.8	177.4	-156.1	-3.2	111.3	M628 N635 T636 V644	M628-R632 HydrophobicContact CG-CG 4.38Å; M628-R632 WeakPolarHBondContact O-CB 3.42Å; M628-R632 VanDerWaalsContact O-CG 3.31Å; M628-R632 WeakPolarHBondContact O-CG 3.38Å; M628-R632 PolarHBondContact O-N 2.87Å; M628-R632 HydrophobicContact SD-CG 4.28Å; R632-N635 PolarHBondContact O-N 2.9Å; R632-T636 WeakPolarHBondContact O-CG2 3.33Å; R632-T636 PolarHBondContact O-N 2.98Å; R632-T636 PolarHBondContact O-OG1 3.26Å; R632-T636 VanDerWaalsContact O-OG1 3.13Å; R632-V644 HydrophobicContact CG-CB 4.46Å; R632-V644 HydrophobicContact CG-CG1 4.01Å; R632-V644 HydrophobicContact CG-CG2 4.23Å
633	R	82.5	Confident	81.6	Confident	128 Å²	128	79.9 Å²	79.9	48%	0.483	40%	0.401	S	S	.	.	H	α-helix	trans	-65.4	-39.5	177.2	-171.5	178.1	-60.5	161.9	4.4	113.3	S629 K630 I631 T636 R637	S629-R633 VanDerWaalsContact O-CB 3.28Å; S629-R633 WeakPolarHBondContact O-CB 3.27Å; S629-R633 PolarHBondContact O-N 3.3Å; S629-R633 VanDerWaalsContact O-N 3.08Å; K630-R633 PolarHBondContact O-N 3.32Å; I631-R633 VanDerWaalsContact C-N 3.33Å; I631-R633 PolarHBondContact O-N 2.81Å; R633-T636 WeakPolarHBondContact CA-OG1 3.26Å; R633-T636 PolarHBondContact O-OG1 3.05Å; R633-R637 WeakPolarHBondContact O-CB 3.17Å; R633-R637 VanDerWaalsContact O-CG 3.24Å; R633-R637 WeakPolarHBondContact O-CG 3.42Å; R633-R637 PolarHBondContact O-N 3.38Å
634	H	87.5	Confident	81.3	Confident	27 Å²	27	79.2 Å²	79.2	13%	0.125	40%	0.403	C	S	.	.	H	α-helix	trans	-59.2	-52.1	171.4	163.6	77.5	0	0	0	110.4	C621 F623 K630 I631 T636 R637 V638 H639	C621-H634 PolarHBondContact SG-CE1 3.16Å; C621-H634 PolarHBondContact SG-NE2 3.36Å; F623-H634 HydrophobicContact CD1-CB 3.75Å; F623-H634 AromaticContact CD1-CD2 3.87Å; F623-H634 AromaticContact CD1-CG 3.43Å; F623-H634 VanDerWaalsContact CD1-CG 3.43Å; F623-H634 AromaticContact CD1-ND1 3.69Å; F623-H634 AromaticContact CD2-ND1 3.9Å; F623-H634 HydrophobicContact CE1-CB 3.68Å; F623-H634 AromaticContact CE1-CG 3.88Å; F623-H634 HydrophobicContact CG-CB 4.47Å; F623-H634 AromaticContact CG-CG 3.77Å; F623-H634 AromaticContact CG-ND1 3.52Å; F623-H634 HydrophobicContact CZ-CB 4.36Å; K630-H634 VanDerWaalsContact O-CB 3.26Å; K630-H634 WeakPolarHBondContact O-CB 3.44Å; K630-H634 PolarHBondContact O-N 3.45Å; I631-H634 WeakPolarHBondContact O-CB 3.48Å; I631-H634 PolarHBondContact O-N 2.93Å; H634-T636 PolarHBondContact O-N 3.43Å; H634-R637 CarbonylContact O-C 3.58Å; H634-R637 WeakPolarHBondContact O-CA 3.5Å; H634-R637 PolarHBondContact O-N 2.87Å; H634-V638 VanDerWaalsContact CE1-CB 3.46Å; H634-V638 WeakPolarHBondContact CE1-CB 3.27Å; H634-V638 WeakPolarHBondContact CE1-CG1 3.17Å; H634-V638 VanDerWaalsContact CE1-CG2 3.46Å; H634-V638 WeakPolarHBondContact CE1-CG2 3.39Å; H634-V638 WeakPolarHBondContact O-CB 2.93Å; H634-V638 PolarHBondContact O-N 2.92Å; H634-H639 AromaticContact CD2-CD2 3.96Å; H634-H639 AromaticContact CD2-NE2 3.78Å; H634-H639 AromaticContact NE2-CD2 2.9Å; H634-H639 PolarHBondContact NE2-CD2 3.08Å; H634-H639 AromaticContact NE2-CE1 3.05Å; H634-H639 PolarHBondContact NE2-CE1 2.98Å; H634-H639 AromaticContact NE2-CG 4Å; H634-H639 AromaticContact NE2-NE2 2.05Å; H634-H639 PolarHBondContact NE2-NE2 3.05Å
635	N	85.5	Confident	81	Confident	1 Å²	1	81 Å²	81	1%	0.005	41%	0.41	C	S	.	.	I	π-helix	trans	-57.2	-47	178.2	-167.6	111.1	0	0	0	111.5	I631 R632 R637 V638 H639 G640 K642 V644	I631-N635 WeakPolarHBondContact O-CB 3.44Å; I631-N635 PolarHBondContact O-N 2.81Å; R632-N635 PolarHBondContact O-N 2.9Å; N635-R637 PolarHBondContact O-N 3.19Å; N635-R637 VanDerWaalsContact O-N 3.14Å; N635-V638 PolarHBondContact O-N 2.92Å; N635-H639 CarbonylContact O-C 3.59Å; N635-H639 VanDerWaalsContact O-C 3.29Å; N635-H639 WeakPolarHBondContact O-CA 3.15Å; N635-H639 PolarHBondContact O-N 2.81Å; N635-G640 PolarHBondContact O-N 3.06Å; N635-K642 PolarHBondContact ND2-O 3.2Å; N635-V644 HydrophobicContact CB-CB 4.44Å; N635-V644 HydrophobicContact CB-CG1 3.98Å; N635-V644 HydrophobicContact CB-CG2 3.96Å
636	T	83	Confident	80.8	Confident	93 Å²	93	81.4 Å²	81.4	57%	0.571	41%	0.414	S	S	*	.	I	π-helix	trans	-67.3	-8.9	175.4	54.5	0	0	0	0	114.9	R632 R633 H634	R632-T636 WeakPolarHBondContact O-CG2 3.33Å; R632-T636 PolarHBondContact O-N 2.98Å; R632-T636 PolarHBondContact O-OG1 3.26Å; R632-T636 VanDerWaalsContact O-OG1 3.13Å; R633-T636 WeakPolarHBondContact CA-OG1 3.26Å; R633-T636 PolarHBondContact O-OG1 3.05Å; H634-T636 PolarHBondContact O-N 3.43Å
637	R	86.1	Confident	80.5	Confident	199 Å²	199	78.5 Å²	78.5	75%	0.751	41%	0.405	S	S	*	.	I	π-helix	trans	-109.1	-23.9	178.8	-77.1	177.9	172.3	-158.8	-8.1	114.1	R633 H634 N635	R633-R637 WeakPolarHBondContact O-CB 3.17Å; R633-R637 VanDerWaalsContact O-CG 3.24Å; R633-R637 WeakPolarHBondContact O-CG 3.42Å; R633-R637 PolarHBondContact O-N 3.38Å; H634-R637 CarbonylContact O-C 3.58Å; H634-R637 WeakPolarHBondContact O-CA 3.5Å; H634-R637 PolarHBondContact O-N 2.87Å; N635-R637 PolarHBondContact O-N 3.19Å; N635-R637 VanDerWaalsContact O-N 3.14Å
638	V	81.5	Confident	79.9	Confident	85 Å²	85	84.4 Å²	84.4	52%	0.515	42%	0.424	S	S	.	.	I	π-helix	trans	-125.8	-23.6	-170.3	-175.1	0	0	0	0	112.3	H634 N635	H634-V638 VanDerWaalsContact CE1-CB 3.46Å; H634-V638 WeakPolarHBondContact CE1-CB 3.27Å; H634-V638 WeakPolarHBondContact CE1-CG1 3.17Å; H634-V638 VanDerWaalsContact CE1-CG2 3.46Å; H634-V638 WeakPolarHBondContact CE1-CG2 3.39Å; H634-V638 WeakPolarHBondContact O-CB 2.93Å; H634-V638 PolarHBondContact O-N 2.92Å; N635-V638 PolarHBondContact O-N 2.92Å
639	H	81	Confident	79.4	Confident	31 Å²	31	85.3 Å²	85.3	14%	0.144	43%	0.427	C	S	.	.	I	π-helix	trans	-121.7	6.9	178.2	-50.1	-48.1	0	0	0	112.6	Y620 H634 N635 S641 K642	Y620-H639 HydrophobicContact CD2-CB 4.31Å; Y620-H639 AromaticContact CD2-CD2 3.97Å; H634-H639 AromaticContact CD2-CD2 3.96Å; H634-H639 AromaticContact CD2-NE2 3.78Å; H634-H639 AromaticContact NE2-CD2 2.9Å; H634-H639 PolarHBondContact NE2-CD2 3.08Å; H634-H639 AromaticContact NE2-CE1 3.05Å; H634-H639 PolarHBondContact NE2-CE1 2.98Å; H634-H639 AromaticContact NE2-CG 4Å; H634-H639 AromaticContact NE2-NE2 2.05Å; H634-H639 PolarHBondContact NE2-NE2 3.05Å; N635-H639 CarbonylContact O-C 3.59Å; N635-H639 VanDerWaalsContact O-C 3.29Å; N635-H639 WeakPolarHBondContact O-CA 3.15Å; N635-H639 PolarHBondContact O-N 2.81Å; H639-S641 PolarHBondContact O-N 2.91Å; H639-K642 WeakPolarHBondContact O-CB 2.96Å; H639-K642 WeakPolarHBondContact O-CG 3.43Å; H639-K642 PolarHBondContact O-N 3.43Å
640	G	78.7	Confident	78	Confident	44 Å²	44	85.6 Å²	85.6	45%	0.454	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	-125.6	178.2	0	0	0	0	0	113.5	N635	N635-G640 PolarHBondContact O-N 3.06Å
641	S	73.4	Confident	76.3	Confident	126 Å²	126	85 Å²	85	88%	0.881	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-8.3	-178.3	51.3	0	0	0	0	114.8	H639	H639-S641 PolarHBondContact O-N 2.91Å
642	K	71.6	Confident	74.8	Confident	132 Å²	132	90.3 Å²	90.3	57%	0.574	47%	0.466	S	S	*	.	S	Bend	trans	-58.4	135.3	-178.3	-66.3	-177.1	177.6	-178	0	110.4	Y620 N635 H639 V644	Y620-K642 HydrophobicContact CE2-CB 4.26Å; N635-K642 PolarHBondContact ND2-O 3.2Å; H639-K642 WeakPolarHBondContact O-CB 2.96Å; H639-K642 WeakPolarHBondContact O-CG 3.43Å; H639-K642 PolarHBondContact O-N 3.43Å; K642-V644 PolarHBondContact O-N 2.79Å
643	P	74.6	Confident	73	Confident	96 Å²	96	86.7 Å²	86.7	62%	0.623	46%	0.458	S	S	*	.			trans	-66	127.7	-168.7	25.7	-34.6	0	0	0	111.8	Y620 R645	Y620-P643 VanDerWaalsContact CE2-O 3.28Å; Y620-P643 WeakPolarHBondContact CE2-O 3.23Å; Y620-P643 PolarHBondContact OH-O 3.03Å; P643-R645 PolarHBondContact O-N 3.18Å
644	V	78.9	Confident	71.7	Confident	60 Å²	60	81.9 Å²	81.9	36%	0.364	44%	0.442	S	S	.	.			trans	-61.3	100.7	-168.5	-167.1	0	0	0	0	112.9	I631 R632 N635 K642 V646	I631-V644 HydrophobicContact CG2-CG1 4.33Å; R632-V644 HydrophobicContact CG-CB 4.46Å; R632-V644 HydrophobicContact CG-CG1 4.01Å; R632-V644 HydrophobicContact CG-CG2 4.23Å; N635-V644 HydrophobicContact CB-CB 4.44Å; N635-V644 HydrophobicContact CB-CG1 3.98Å; N635-V644 HydrophobicContact CB-CG2 3.96Å; K642-V644 PolarHBondContact O-N 2.79Å; V644-V646 HydrophobicContact CG1-CG2 3.87Å
645	R	76.1	Confident	70.3	Confident	142 Å²	142	82.6 Å²	82.6	54%	0.536	46%	0.457	S	S	.	.			trans	-97.2	137.3	174	-72.3	-167.8	-174.8	-161.1	4.2	111.7	E619 Y620 P643	E619-R645 HydrophobicContact CB-CB 3.82Å; E619-R645 HydrophobicContact CG-CB 4.16Å; E619-R645 PolarHBondContact N-O 3.26Å; E619-R645 VanDerWaalsContact N-O 3.17Å; E619-R645 WeakPolarHBondContact OE2-CD 3.26Å; Y620-R645 HydrophobicContact CE2-CB 4.05Å; Y620-R645 HydrophobicContact CE2-CG 4.35Å; P643-R645 PolarHBondContact O-N 3.18Å
646	V	82.9	Confident	69	Low	32 Å²	32	89.3 Å²	89.3	19%	0.194	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	111.1	-167.5	-169.5	0	0	0	0	111	L616 K617 E619 M628 I631 V644	L616-V646 HydrophobicContact CB-CG1 3.83Å; L616-V646 HydrophobicContact CD2-CG1 3.95Å; L616-V646 HydrophobicContact CG-CG1 4.43Å; K617-V646 CarbonylContact O-C 3.5Å; K617-V646 VanDerWaalsContact O-CA 3.27Å; K617-V646 WeakPolarHBondContact O-CA 3.19Å; K617-V646 WeakPolarHBondContact O-CG1 3.26Å; E619-V646 VanDerWaalsContact OE1-C 3.27Å; E619-V646 PolarHBondContact OE1-N 2.94Å; M628-V646 HydrophobicContact CE-CB 4.12Å; M628-V646 HydrophobicContact CE-CG1 4Å; M628-V646 HydrophobicContact CE-CG2 4.04Å; M628-V646 HydrophobicContact SD-CG2 3.93Å; I631-V646 HydrophobicContact CD1-CG1 4.14Å; I631-V646 HydrophobicContact CG2-CG1 4.31Å; I631-V646 HydrophobicContact CG2-CG2 3.65Å; V644-V646 HydrophobicContact CG1-CG2 3.87Å
647	S	75.1	Confident	67.7	Low	31 Å²	31	89.3 Å²	89.3	22%	0.217	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	144.2	171.5	32.4	0	0	0	0	111	K617 E619	K617-S647 PolarHBondContact N-O 3.05Å; K617-S647 PolarHBondContact O-N 3.31Å; K617-S647 PolarHBondContact O-OG 2.74Å; E619-S647 PolarHBondContact OE1-N 2.68Å
648	Y	68.3	Low	66.2	Low	144 Å²	144	81.2 Å²	81.2	57%	0.565	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	118.6	179.9	176	-102.5	0	0	0	109.7	P615 L616 P650	P615-Y648 HydrophobicContact CB-CD2 4.26Å; P615-Y648 HydrophobicContact CB-CE2 3.91Å; L616-Y648 HydrophobicContact CD2-CD2 3.95Å; Y648-P650 HydrophobicContact CD1-CG 4.4Å; Y648-P650 HydrophobicContact CE1-CB 3.81Å; Y648-P650 HydrophobicContact CE1-CG 3.97Å
649	H	62.6	Low	64.9	Low	93 Å²	93	84.9 Å²	84.9	43%	0.431	46%	0.459	S	S	.	.			trans	-112.8	102.4	176.5	-69.9	-85.8	0	0	0	109.6	P615	P615-H649 PolarHBondContact O-N 2.73Å
650	P	54.4	Low	63.7	Low	83 Å²	83	86.5 Å²	86.5	54%	0.539	47%	0.467	S	S	.	.			trans	-75.5	145.4	169.9	31.4	-31.7	0	0	0	110.7	Y648	Y648-P650 HydrophobicContact CD1-CG 4.4Å; Y648-P650 HydrophobicContact CE1-CB 3.81Å; Y648-P650 HydrophobicContact CE1-CG 3.97Å
651	V	47.9	Very low	62.4	Low	85 Å²	85	85.1 Å²	85.1	52%	0.515	45%	0.449	S	S	.	.			trans	-119.6	126	162.6	-179	0	0	0	0	106.3	D653 I654	V651-D653 PolarHBondContact O-N 3.02Å; V651-I654 HydrophobicContact CB-CD1 4.42Å
652	P	51.6	Low	61.4	Low	112 Å²	112	82.3 Å²	82.3	73%	0.727	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-45.5	-161.1	-26.7	35.9	0	0	0	115.8	I654	P652-I654 PolarHBondContact O-N 3.38Å
653	D	50.9	Low	60.4	Low	76 Å²	76	81.5 Å²	81.5	41%	0.406	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-8.8	-160.3	-64.4	-82.4	0	0	0	116.3	V651 G655 K656 Q657	V651-D653 PolarHBondContact O-N 3.02Å; D653-G655 PolarHBondContact O-N 2.7Å; D653-G655 VanDerWaalsContact O-N 3.1Å; D653-K656 HydrophobicContact CB-CD 4.48Å; D653-K656 WeakPolarHBondContact O-CB 3.41Å; D653-K656 PolarHBondContact O-N 3.48Å; D653-K656 WeakPolarHBondContact OD1-CD 3.17Å; D653-K656 WeakPolarHBondContact OD1-CE 3.49Å; D653-K656 IonicContact OD1-NZ 3.62Å; D653-K656 PolarHBondContact OD1-NZ 3Å; D653-Q657 PolarHBondContact O-N 3.11Å
654	I	53.5	Low	58.8	Low	28 Å²	28	81.6 Å²	81.6	14%	0.144	41%	0.414	C	S	.	.	H	α-helix	trans	-59.9	-26.1	174.4	-65.2	171.8	0	0	0	110.8	Y613 V651 P652 K656 Q657 I658	Y613-I654 HydrophobicContact CD1-CD1 4.07Å; Y613-I654 HydrophobicContact CD1-CG2 4.08Å; Y613-I654 HydrophobicContact CD2-CD1 3.45Å; Y613-I654 VanDerWaalsContact CD2-CD1 3.45Å; Y613-I654 HydrophobicContact CE1-CD1 4.11Å; Y613-I654 HydrophobicContact CE1-CG2 4.12Å; Y613-I654 HydrophobicContact CE2-CD1 3.53Å; Y613-I654 HydrophobicContact CG-CD1 3.74Å; V651-I654 HydrophobicContact CB-CD1 4.42Å; P652-I654 PolarHBondContact O-N 3.38Å; I654-K656 VanDerWaalsContact C-N 3.32Å; I654-K656 PolarHBondContact O-N 2.89Å; I654-Q657 PolarHBondContact O-N 3.49Å; I654-I658 HydrophobicContact CG2-CD1 3.82Å; I654-I658 HydrophobicContact CG2-CG1 4.26Å; I654-I658 VanDerWaalsContact O-CB 3.27Å; I654-I658 WeakPolarHBondContact O-CB 3.42Å; I654-I658 WeakPolarHBondContact O-CG1 3.36Å; I654-I658 PolarHBondContact O-N 3.17Å
655	G	57.8	Low	57.6	Low	42 Å²	42	80 Å²	80	43%	0.433	41%	0.406	S	S	.	.	H	α-helix	trans	-65.2	-28.9	172	0	0	0	0	0	114.5	D653 K659	D653-G655 PolarHBondContact O-N 2.7Å; D653-G655 VanDerWaalsContact O-N 3.1Å; G655-K659 WeakPolarHBondContact O-CG 3.49Å; G655-K659 PolarHBondContact O-N 3.21Å
656	K	58.5	Low	55.7	Low	141 Å²	141	79.9 Å²	79.9	61%	0.613	41%	0.409	S	S	*	.	H	α-helix	trans	-73.7	-50.9	173.5	-63.1	174.8	-178.6	163.2	0	109.9	D653 I654 I658 K659 Q660	D653-K656 HydrophobicContact CB-CD 4.48Å; D653-K656 WeakPolarHBondContact O-CB 3.41Å; D653-K656 PolarHBondContact O-N 3.48Å; D653-K656 WeakPolarHBondContact OD1-CD 3.17Å; D653-K656 WeakPolarHBondContact OD1-CE 3.49Å; D653-K656 IonicContact OD1-NZ 3.62Å; D653-K656 PolarHBondContact OD1-NZ 3Å; I654-K656 VanDerWaalsContact C-N 3.32Å; I654-K656 PolarHBondContact O-N 2.89Å; K656-I658 VanDerWaalsContact C-N 3.28Å; K656-I658 PolarHBondContact O-N 3.33Å; K656-K659 WeakPolarHBondContact O-CB 3.23Å; K656-K659 PolarHBondContact O-N 2.68Å; K656-Q660 VanDerWaalsContact O-CB 3.3Å; K656-Q660 WeakPolarHBondContact O-CB 3.22Å; K656-Q660 PolarHBondContact O-N 2.8Å
657	Q	55.6	Low	53.3	Low	93 Å²	93	82 Å²	82	44%	0.435	44%	0.437	S	S	.	.	H	α-helix	trans	-51.3	-48.1	174.8	-65.6	175.7	-13.6	0	0	111	D653 I654 K659 Q660 M661	D653-Q657 PolarHBondContact O-N 3.11Å; I654-Q657 PolarHBondContact O-N 3.49Å; Q657-K659 VanDerWaalsContact C-N 3.33Å; Q657-K659 PolarHBondContact O-N 3.4Å; Q657-Q660 PolarHBondContact O-N 2.71Å; Q657-M661 WeakPolarHBondContact O-CB 3.43Å; Q657-M661 WeakPolarHBondContact O-CG 3.13Å; Q657-M661 PolarHBondContact O-N 3.27Å
658	I	54.5	Low	51.1	Low	29 Å²	29	88.2 Å²	88.2	15%	0.149	47%	0.466	C	S	.	.	H	α-helix	trans	-67.8	-21	178	-77.1	-178	0	0	0	115.1	I604 I654 K656 M661 K662	I604-I658 HydrophobicContact CD1-CB 3.84Å; I604-I658 HydrophobicContact CD1-CD1 4.01Å; I604-I658 HydrophobicContact CD1-CG1 3.55Å; I604-I658 HydrophobicContact CD1-CG2 3.51Å; I604-I658 HydrophobicContact CG1-CG1 4.24Å; I604-I658 HydrophobicContact CG2-CD1 4.22Å; I654-I658 HydrophobicContact CG2-CD1 3.82Å; I654-I658 HydrophobicContact CG2-CG1 4.26Å; I654-I658 VanDerWaalsContact O-CB 3.27Å; I654-I658 WeakPolarHBondContact O-CB 3.42Å; I654-I658 WeakPolarHBondContact O-CG1 3.36Å; I654-I658 PolarHBondContact O-N 3.17Å; K656-I658 VanDerWaalsContact C-N 3.28Å; K656-I658 PolarHBondContact O-N 3.33Å; I658-M661 HydrophobicContact CG1-SD 4.12Å; I658-K662 WeakPolarHBondContact O-CE 3.16Å
659	K	55.2	Low	49.2	Very low	162 Å²	162	87.8 Å²	87.8	70%	0.704	48%	0.479	S	S	*	.	H	α-helix	trans	-80.6	-54.4	170.2	-87.8	-177.3	174.2	-175.4	0	110	G655 K656 Q657 M661 K662	G655-K659 WeakPolarHBondContact O-CG 3.49Å; G655-K659 PolarHBondContact O-N 3.21Å; K656-K659 WeakPolarHBondContact O-CB 3.23Å; K656-K659 PolarHBondContact O-N 2.68Å; Q657-K659 VanDerWaalsContact C-N 3.33Å; Q657-K659 PolarHBondContact O-N 3.4Å; K659-M661 VanDerWaalsContact C-N 3.32Å; K659-M661 PolarHBondContact O-N 2.96Å; K659-K662 PolarHBondContact O-N 2.64Å; K659-K662 VanDerWaalsContact O-N 3.13Å
660	Q	55.5	Low	47.3	Very low	66 Å²	66	88.6 Å²	88.6	31%	0.308	50%	0.495	S	S	.	.	H	α-helix	trans	-49	-58.1	-178.4	-169.8	52.2	44.1	0	0	108.7	K656 Q657 K662 L663 Y733 I734 G735	K656-Q660 VanDerWaalsContact O-CB 3.3Å; K656-Q660 WeakPolarHBondContact O-CB 3.22Å; K656-Q660 PolarHBondContact O-N 2.8Å; Q657-Q660 PolarHBondContact O-N 2.71Å; Q660-K662 VanDerWaalsContact C-N 3.27Å; Q660-K662 PolarHBondContact O-N 3.04Å; Q660-L663 WeakPolarHBondContact O-CB 3.43Å; Q660-L663 PolarHBondContact O-N 2.72Å; Q660-Y733 PolarHBondContact NE2-O 2.76Å; Q660-I734 WeakPolarHBondContact CG-O 3.03Å; Q660-I734 PolarHBondContact NE2-O 2.71Å; Q660-G735 CarbonylContact C-O 3.53Å
661	M	51.4	Low	45.7	Very low	14 Å²	14	90.2 Å²	90.2	7%	0.069	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-22.4	-58.4	168	-85.9	173.5	-179.6	0	0	115.2	I604 A607 L611 Q657 I658 K659 L663 G735 S736 D737 L738	I604-M661 HydrophobicContact CD1-SD 4.32Å; I604-M661 HydrophobicContact CG1-SD 4.25Å; A607-M661 HydrophobicContact CB-SD 4.44Å; L611-M661 HydrophobicContact CD1-CE 3.96Å; L611-M661 HydrophobicContact CD2-CE 4.38Å; L611-M661 HydrophobicContact CG-CE 4.46Å; Q657-M661 WeakPolarHBondContact O-CB 3.43Å; Q657-M661 WeakPolarHBondContact O-CG 3.13Å; Q657-M661 PolarHBondContact O-N 3.27Å; I658-M661 HydrophobicContact CG1-SD 4.12Å; K659-M661 VanDerWaalsContact C-N 3.32Å; K659-M661 PolarHBondContact O-N 2.96Å; M661-L663 PolarHBondContact O-N 3.13Å; M661-G735 CarbonylContact C-O 2.88Å; M661-G735 WeakPolarHBondContact CA-O 3.27Å; M661-G735 VanDerWaalsContact N-CA 3.32Å; M661-G735 PolarHBondContact N-O 2.54Å; M661-G735 CarbonylContact O-C 3.26Å; M661-S736 WeakPolarHBondContact CA-O 3.15Å; M661-S736 VanDerWaalsContact CG-O 3.3Å; M661-S736 WeakPolarHBondContact CG-O 3.23Å; M661-S736 CarbonylContact O-C 3.57Å; M661-D737 CarbonylContact C-O 3.47Å; M661-D737 WeakPolarHBondContact CA-O 3.21Å; M661-D737 VanDerWaalsContact CB-O 3.27Å; M661-D737 WeakPolarHBondContact CB-O 3.27Å; M661-D737 CarbonylContact O-C 3.54Å; M661-D737 PolarHBondContact O-N 2.88Å; M661-L738 HydrophobicContact CB-CB 4.02Å; M661-L738 WeakPolarHBondContact CB-O 3.1Å; M661-L738 HydrophobicContact CE-CB 4.38Å; M661-L738 HydrophobicContact CE-CD1 3.38Å; M661-L738 HydrophobicContact CE-CG 4.47Å; M661-L738 HydrophobicContact CG-CB 3.76Å; M661-L738 HydrophobicContact CG-CD1 4.07Å; M661-L738 HydrophobicContact CG-CG 4.47Å; M661-L738 HydrophobicContact SD-CB 3.52Å; M661-L738 VanDerWaalsContact SD-CB 3.52Å; M661-L738 HydrophobicContact SD-CD1 3.74Å; M661-L738 HydrophobicContact SD-CG 4.24Å
662	K	52.6	Low	44.5	Very low	68 Å²	68	90.1 Å²	90.1	30%	0.296	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.3	-170.5	-64.6	166.4	-170.7	165.9	0	114.4	M600 I658 K659 Q660 D737	M600-K662 HydrophobicContact SD-CG 4.49Å; I658-K662 WeakPolarHBondContact O-CE 3.16Å; K659-K662 PolarHBondContact O-N 2.64Å; K659-K662 VanDerWaalsContact O-N 3.13Å; Q660-K662 VanDerWaalsContact C-N 3.27Å; Q660-K662 PolarHBondContact O-N 3.04Å; K662-D737 PolarHBondContact N-O 3.23Å
663	L	51	Low	43.2	Very low	114 Å²	114	88.7 Å²	88.7	60%	0.597	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-61.5	-175.7	-64.6	168.2	0	0	0	112.4	Q660 M661 C665 F666	Q660-L663 WeakPolarHBondContact O-CB 3.43Å; Q660-L663 PolarHBondContact O-N 2.72Å; M661-L663 PolarHBondContact O-N 3.13Å; L663-C665 PolarHBondContact O-N 2.93Å; L663-F666 PolarHBondContact O-N 2.93Å
664	E	40.8	Very low	41.8	Very low	98 Å²	98	91.5 Å²	91.5	46%	0.458	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.5	-9.9	-175.2	-49	172	154.3	0	0	113.5	F666 I734 G735 S736	E664-F666 VanDerWaalsContact C-N 3.33Å; E664-I734 WeakPolarHBondContact OE1-CA 3.21Å; E664-I734 PolarHBondContact OE1-N 3.5Å; E664-G735 WeakPolarHBondContact CG-O 2.93Å; E664-G735 PolarHBondContact N-O 3.35Å; E664-G735 VanDerWaalsContact N-O 3.11Å; E664-S736 VanDerWaalsContact CB-N 3.26Å; E664-S736 VanDerWaalsContact CG-N 3.3Å; E664-S736 VanDerWaalsContact OE2-CA 3.23Å; E664-S736 WeakPolarHBondContact OE2-CA 3.23Å; E664-S736 WeakPolarHBondContact OE2-CB 3.41Å; E664-S736 PolarHBondContact OE2-N 3.28Å; E664-S736 PolarHBondContact OE2-OG 3.48Å
665	C	52.7	Low	40.3	Very low	28 Å²	28	97.9 Å²	97.9	19%	0.189	58%	0.58	C	S	.	*	T	Hydrogen-bonded Turn	trans	-76	-18.8	173.6	-139.5	0	0	0	0	113.6	L663 L739	L663-C665 PolarHBondContact O-N 2.93Å; C665-L739 HydrophobicContact CB-CD1 4.12Å; C665-L739 WeakPolarHBondContact SG-CD1 3.25Å
666	F	37.1	Very low	38.5	Very low	139 Å²	139	101.4 Å²	101.4	61%	0.61	59%	0.588	S	S	*	*			trans	-109.4	75.1	-179.4	-83.7	-70.6	0	0	0	112.3	M600 L663 E664 I668	M600-F666 HydrophobicContact CE-CD2 4.36Å; M600-F666 HydrophobicContact CE-CE2 3.3Å; M600-F666 HydrophobicContact CE-CZ 3.46Å; M600-F666 VanDerWaalsContact CE-CZ 3.46Å; M600-F666 HydrophobicContact SD-CE2 4.03Å; L663-F666 PolarHBondContact O-N 2.93Å; E664-F666 VanDerWaalsContact C-N 3.33Å; F666-I668 PolarHBondContact O-N 2.61Å
667	G	31.4	Very low	36.6	Very low	76 Å²	76	104.7 Å²	104.7	78%	0.784	60%	0.597	S	S	*	*			trans	-80.5	102.4	172.4	0	0	0	0	0	113.1
668	I	30.5	Very low	34.9	Very low	161 Å²	161	104.4 Å²	104.4	83%	0.826	61%	0.606	S	S	*	*			trans	-131.8	124.9	160.6	-59.9	-179.7	0	0	0	107.6	F666	F666-I668 PolarHBondContact O-N 2.61Å
669	T	27.1	Very low	33.2	Very low	136 Å²	136	107.6 Å²	107.6	83%	0.834	63%	0.63	S	S	*	*			trans	-99.1	124.9	-173.9	48.4	0	0	0	0	112.2
670	S	23.2	Very low	31.5	Very low	109 Å²	109	106.4 Å²	106.4	76%	0.762	63%	0.631	S	S	*	*			trans	-84.6	161	158.6	-60.5	0	0	0	0	111.1
671	S	21.9	Very low	29.8	Very low	118 Å²	118	108.1 Å²	108.1	83%	0.825	64%	0.641	S	S	*	*	S	Bend	trans	-7.3	124.3	163.3	55.5	0	0	0	0	120.2
672	G	22.8	Very low	28.4	Very low	82 Å²	82	113.8 Å²	113.8	85%	0.845	67%	0.667	S	S	*	*			trans	86.2	168.3	138.7	0	0	0	0	0	118.2
673	G	22.7	Very low	26.9	Very low	82 Å²	82	113.9 Å²	113.9	85%	0.845	67%	0.671	S	S	*	*			trans	98.8	103.7	-178.8	0	0	0	0	0	112.9
674	T	22.9	Very low	25.5	Very low	136 Å²	136	113 Å²	113	83%	0.834	67%	0.667	S	S	*	*			trans	-92.4	156.8	176	46	0	0	0	0	112.2
675	Q	20.7	Very low	24.5	Very low	162 Å²	162	111.8 Å²	111.8	76%	0.757	67%	0.67	S	S	*	*			trans	87.2	128.1	161.7	-56.9	-156.6	-2.3	0	0	121
676	N	20.5	Very low	23.1	Very low	115 Å²	115	117.4 Å²	117.4	62%	0.615	70%	0.697	S	S	*	*			trans	71.7	102.8	134.4	-64.8	-16.6	0	0	0	122.4
677	R	18	Very low	22.3	Very low	210 Å²	210	119.5 Å²	119.5	79%	0.792	71%	0.706	S	S	*	*				49.4	116.5	105.7	-91	-176.9	157.7	172.3	-6.8	119.3
678	S	19.9	Very low	22	Very low	88 Å²	88	123.2 Å²	123.2	62%	0.615	71%	0.708	S	S	*	*				70.5	113.1	116.2	-60.1	0	0	0	0	121.7
679	S	19.5	Very low	21.6	Very low	95 Å²	95	122.5 Å²	122.5	66%	0.664	71%	0.706	S	S	*	*				81.4	152.8	128.8	-52.1	0	0	0	0	120.3
680	L	19.8	Very low	21.6	Very low	137 Å²	137	122.5 Å²	122.5	72%	0.717	71%	0.705	S	S	*	*			trans	71	154.2	169.8	-48.5	-178.4	0	0	0	113.6	L64	L64-L680 HydrophobicContact CD2-CB 3.95Å; L64-L680 WeakPolarHBondContact CD2-O 3.25Å
681	I	19.8	Very low	21.6	Very low	103 Å²	103	122.2 Å²	122.2	53%	0.528	70%	0.701	S	S	.	*			cis	-145.5	-169.1	-15	-129.4	166.9	0	0	0	109.3	A65	A65-I681 HydrophobicContact CB-CG2 4.07Å
682	E	21.8	Very low	21.8	Very low	133 Å²	133	122.6 Å²	122.6	62%	0.621	70%	0.7	S	S	*	*			trans	-39.1	160.5	165.4	-60.3	118	170.6	0	0	113.7	L66	L66-E682 PolarHBondContact N-O 3.05Å; L66-E682 VanDerWaalsContact N-O 3.16Å
683	D	21.2	Very low	21.8	Very low	70 Å²	70	122.2 Å²	122.2	37%	0.374	68%	0.677	S	S	.	*				-178.9	170.1	59.1	-162.3	14.7	0	0	0	107.8	L66 G67 R68	L66-D683 CarbonylContact C-O 3.6Å; G67-D683 WeakPolarHBondContact CA-OD2 3.21Å; G67-D683 PolarHBondContact N-O 3.04Å; R68-D683 VanDerWaalsContact CA-OD1 3.32Å; R68-D683 WeakPolarHBondContact CA-OD1 3.45Å; R68-D683 WeakPolarHBondContact CG-OD2 3.33Å; R68-D683 PolarHBondContact N-OD1 2.85Å; R68-D683 VanDerWaalsContact N-OD1 3.15Å; R68-D683 PolarHBondContact N-OD2 2.98Å
684	D	21.5	Very low	21.9	Very low	94 Å²	94	124.1 Å²	124.1	50%	0.503	68%	0.675	S	S	.	*			trans	-80.2	-156.9	-164.5	-28.7	-122.7	0	0	0	118.6	G67 R68 K69	G67-D684 VanDerWaalsContact C-C 3.47Å; G67-D684 CarbonylContact C-O 3.44Å; G67-D684 WeakPolarHBondContact CA-O 3.08Å; G67-D684 PolarHBondContact N-O 2.7Å; G67-D684 VanDerWaalsContact O-O 3.06Å; R68-D684 VanDerWaalsContact C-CB 3.45Å; R68-D684 PolarHBondContact N-O 3.33Å; K69-D684 VanDerWaalsContact N-CG 3.27Å; K69-D684 PolarHBondContact N-OD2 2.93Å; K69-D684 WeakPolarHBondContact O-CB 3.13Å
685	S	20.3	Very low	22	Very low	74 Å²	74	121.8 Å²	121.8	52%	0.517	67%	0.67	S	S	.	*			trans	66.5	110	158.8	90.6	0	0	0	0	124.3	G67 R68	G67-S685 PolarHBondContact O-OG 3.02Å; R68-S685 WeakPolarHBondContact O-CB 3.47Å; R68-S685 PolarHBondContact O-OG 2.75Å
686	L	23.5	Very low	22	Very low	146 Å²	146	118.7 Å²	118.7	76%	0.764	67%	0.666	S	S	*	*				60.1	93.9	116.7	-157.2	83.9	0	0	0	120.7
687	F	20.4	Very low	22.1	Very low	183 Å²	183	117.5 Å²	117.5	80%	0.803	67%	0.667	S	S	*	*			trans	50.3	95.1	149.7	-72	-95.8	0	0	0	119.4
688	D	24.6	Very low	22.4	Very low	154 Å²	154	116.1 Å²	116.1	82%	0.824	67%	0.67	S	S	*	*			trans	-137.3	138.2	141.2	-83.3	-59.1	0	0	0	106.3
689	D	22.3	Very low	22.6	Very low	146 Å²	146	114.6 Å²	114.6	78%	0.781	67%	0.668	S	S	*	*			cis	72	75.8	42.6	-83.4	-58	0	0	0	115.4
690	V	27.4	Very low	22.5	Very low	135 Å²	135	117.3 Å²	117.3	82%	0.818	67%	0.67	S	S	*	*			trans	-137.8	118	166.4	-173.2	0	0	0	0	111.4
691	P	21.4	Very low	22.5	Very low	103 Å²	103	117.3 Å²	117.3	67%	0.669	67%	0.666	S	S	*	*			trans	-93.3	-171.1	176.8	41.5	-37.8	0	0	0	111.5
692	P	27.6	Very low	22.6	Very low	126 Å²	126	117.9 Å²	117.9	82%	0.818	68%	0.675	S	S	*	*				-142.6	134.3	79.6	34.7	-16.5	0	0	0	115
693	E	21.9	Very low	22.5	Very low	75 Å²	75	117.9 Å²	117.9	35%	0.35	68%	0.684	S	S	.	*			trans	-87.9	165	146.6	-169.5	163.9	-89.2	0	0	107.9	R723 R724	E693-R723 WeakPolarHBondContact OE1-CG 3.33Å; E693-R723 IonicContact OE1-NE 3.11Å; E693-R723 PolarHBondContact OE1-NE 3.38Å; E693-R723 VanDerWaalsContact OE1-NE 3.11Å; E693-R723 IonicContact OE2-CZ 3.38Å; E693-R723 IonicContact OE2-NE 2.92Å; E693-R723 PolarHBondContact OE2-NE 3.01Å; E693-R723 IonicContact OE2-NH2 2.93Å; E693-R723 PolarHBondContact OE2-NH2 2.75Å; E693-R724 IonicContact OE1-CZ 3.44Å; E693-R724 IonicContact OE1-NE 2.77Å; E693-R724 PolarHBondContact OE1-NE 2.92Å; E693-R724 IonicContact OE1-NH2 3.29Å; E693-R724 PolarHBondContact OE1-NH2 3.29Å; E693-R724 IonicContact OE2-CZ 3.65Å; E693-R724 IonicContact OE2-NE 3.72Å; E693-R724 IonicContact OE2-NH2 2.76Å; E693-R724 PolarHBondContact OE2-NH2 3.41Å
694	C	26.1	Very low	22.5	Very low	121 Å²	121	120.4 Å²	120.4	82%	0.818	70%	0.702	S	S	*	*			trans	-68.1	-178.2	162.1	-64.9	0	0	0	0	110.6
695	A	23	Very low	22.5	Very low	88 Å²	88	120.8 Å²	120.8	73%	0.727	71%	0.708	S	S	*	*	S	Bend	trans	-62.1	139.7	-171.1	0	0	0	0	0	114.9
696	S	21.3	Very low	22.6	Very low	96 Å²	96	123 Å²	123	67%	0.671	72%	0.718	S	S	*	*			trans	66.1	148.9	142.8	61.3	0	0	0	0	122
697	S	24.1	Very low	22.6	Very low	91 Å²	91	120.7 Å²	120.7	64%	0.636	72%	0.721	S	S	*	*			trans	90.9	163.1	154	77.4	0	0	0	0	120.4	R723	S697-R723 PolarHBondContact O-NH2 3.19Å; S697-R723 VanDerWaalsContact O-NH2 3.1Å
698	E	23	Very low	22.6	Very low	181 Å²	181	116 Å²	116	85%	0.846	72%	0.724	S	S	*	*			trans	-107.4	179	-144.1	-53.2	162.8	146	0	0	112.6
699	G	23.8	Very low	22.4	Very low	56 Å²	56	111.8 Å²	111.8	58%	0.577	72%	0.717	S	S	*	*			trans	144.5	151	158.6	0	0	0	0	0	116.5
700	E	18.9	Very low	22.4	Very low	151 Å²	151	111.9 Å²	111.9	71%	0.706	72%	0.717	S	S	*	*			trans	-113.9	169.6	170.4	-55	-178.8	68.8	0	0	111.6
701	Q	19.7	Very low	22.1	Very low	137 Å²	137	110 Å²	110	64%	0.64	71%	0.71	S	S	*	*			trans	63.6	119.5	146.2	-73	169.7	58.7	0	0	121.3
702	T	20.5	Very low	22.2	Very low	116 Å²	116	109.9 Å²	109.9	71%	0.712	72%	0.718	S	S	*	*			trans	78.7	145.9	133.8	62	0	0	0	0	124.4
703	T	19.5	Very low	21.8	Very low	133 Å²	133	111.5 Å²	111.5	82%	0.816	73%	0.725	S	S	*	*			trans	82.6	175.8	153.3	48.5	0	0	0	0	121.5
704	T	21.4	Very low	22.1	Very low	123 Å²	123	111.3 Å²	111.3	76%	0.755	74%	0.743	S	S	*	*			trans	-145	131.7	-151	51.5	0	0	0	0	113.5
705	T	22.5	Very low	22.4	Very low	101 Å²	101	113 Å²	113	62%	0.62	74%	0.739	S	S	*	*			trans	-163.8	138	165.6	10.2	0	0	0	0	117.1	S718	T705-S718 PolarHBondContact OG1-O 3.24Å
706	T	22.2	Very low	22.8	Very low	120 Å²	120	116.3 Å²	116.3	74%	0.736	74%	0.737	S	S	*	*			trans	47.7	147.2	142.5	49.6	0	0	0	0	127
707	A	22.9	Very low	23.4	Very low	99 Å²	99	117.4 Å²	117.4	82%	0.818	74%	0.74	S	S	*	*			trans	72.4	151.6	144.3	0	0	0	0	0	120.1
708	G	20.4	Very low	24	Very low	84 Å²	84	117.3 Å²	117.3	87%	0.866	74%	0.739	S	S	*	*			cis	94.5	80.8	-15.9	0	0	0	0	0	117.7
709	G	21.6	Very low	24.1	Very low	65 Å²	65	112.3 Å²	112.3	67%	0.67	73%	0.729	S	S	*	*			trans	-174.9	146.2	167.6	0	0	0	0	0	109.3
710	D	20.8	Very low	24.3	Very low	148 Å²	148	116.8 Å²	116.8	79%	0.791	74%	0.739	S	S	*	*				71.6	135.6	50.2	-78.7	-49.6	0	0	0	113.1
711	S	21.1	Very low	24.6	Very low	96 Å²	96	113.1 Å²	113.1	67%	0.671	72%	0.724	S	S	*	*	S	Bend		62.5	141.2	58.6	-37	0	0	0	0	112.4
712	A	23.3	Very low	24.8	Very low	100 Å²	100	111.4 Å²	111.4	83%	0.826	72%	0.719	S	S	*	*	S	Bend	trans	60.8	129.2	175.2	0	0	0	0	0	117.9	G714	A712-G714 PolarHBondContact O-N 2.95Å
713	V	20.6	Very low	24.8	Very low	160 Å²	160	110.9 Å²	110.9	97%	0.97	70%	0.704	S	S	*	*			trans	-43.6	123	158.3	177.3	0	0	0	0	110.9
714	G	28.3	Very low	24.9	Very low	71 Å²	71	111.8 Å²	111.8	73%	0.732	69%	0.692	S	S	*	*			trans	-163.2	167.9	-177.2	0	0	0	0	0	113.4	A712	A712-G714 PolarHBondContact O-N 2.95Å
715	E	32.3	Very low	25.2	Very low	158 Å²	158	111.5 Å²	111.5	74%	0.738	70%	0.695	S	S	*	*			trans	-113.9	156.9	-166	-53.1	175.4	107.2	0	0	114.8
716	K	31.9	Very low	25.3	Very low	157 Å²	157	112.4 Å²	112.4	68%	0.683	70%	0.703	S	S	*	*			trans	83.8	93.1	152.3	-64.8	141.3	-172.5	162	0	122.1
717	T	33	Very low	25.2	Very low	118 Å²	118	111.6 Å²	111.6	72%	0.724	71%	0.708	S	S	*	*				68	109.7	128.6	57.9	0	0	0	0	125.7
718	S	35.7	Very low	25.2	Very low	90 Å²	90	111.1 Å²	111.1	63%	0.629	70%	0.699	S	S	*	*				76.7	153.9	124.4	-56.2	0	0	0	0	124.5	T705	T705-S718 PolarHBondContact OG1-O 3.24Å
719	A	26.6	Very low	25.3	Very low	76 Å²	76	116.5 Å²	116.5	63%	0.628	70%	0.698	S	S	*	*			cis	-176.3	169.8	-23	0	0	0	0	0	114.4
720	L	26.8	Very low	25.5	Very low	150 Å²	150	121.5 Å²	121.5	79%	0.785	70%	0.704	S	S	*	*			trans	75	140.3	153.4	-74.6	178.7	0	0	0	126.3
721	L	26.2	Very low	25.5	Very low	74 Å²	74	119.7 Å²	119.7	39%	0.387	70%	0.695	S	S	.	*			trans	72.8	108.9	141.5	-67.4	171.4	0	0	0	125.9
722	D	23.6	Very low	25.5	Very low	101 Å²	101	122.2 Å²	122.2	54%	0.54	70%	0.7	S	S	.	*				105.1	101.3	113.9	-88.9	23	0	0	0	126.1
723	R	21.3	Very low	25.4	Very low	104 Å²	104	125.3 Å²	125.3	39%	0.392	69%	0.691	S	S	.	*				74.4	127.5	111.5	-79.9	-170.3	177	118.1	-6.8	123.7	E693 S697	E693-R723 WeakPolarHBondContact OE1-CG 3.33Å; E693-R723 IonicContact OE1-NE 3.11Å; E693-R723 PolarHBondContact OE1-NE 3.38Å; E693-R723 VanDerWaalsContact OE1-NE 3.11Å; E693-R723 IonicContact OE2-CZ 3.38Å; E693-R723 IonicContact OE2-NE 2.92Å; E693-R723 PolarHBondContact OE2-NE 3.01Å; E693-R723 IonicContact OE2-NH2 2.93Å; E693-R723 PolarHBondContact OE2-NH2 2.75Å; S697-R723 PolarHBondContact O-NH2 3.19Å; S697-R723 VanDerWaalsContact O-NH2 3.1Å
724	R	21	Very low	25.4	Very low	153 Å²	153	122.3 Å²	122.3	58%	0.577	67%	0.669	S	S	*	*			trans	64.6	118.3	138.5	-63	175.9	-174.5	-156.2	6.1	116.8	E693	E693-R724 IonicContact OE1-CZ 3.44Å; E693-R724 IonicContact OE1-NE 2.77Å; E693-R724 PolarHBondContact OE1-NE 2.92Å; E693-R724 IonicContact OE1-NH2 3.29Å; E693-R724 PolarHBondContact OE1-NH2 3.29Å; E693-R724 IonicContact OE2-CZ 3.65Å; E693-R724 IonicContact OE2-NE 3.72Å; E693-R724 IonicContact OE2-NH2 2.76Å; E693-R724 PolarHBondContact OE2-NH2 3.41Å
725	S	26.7	Very low	25.1	Very low	116 Å²	116	119.2 Å²	119.2	81%	0.811	64%	0.637	S	S	*	*			cis	54.4	85.4	20.9	-63.5	0	0	0	0	113.8
726	P	24.8	Very low	24.6	Very low	121 Å²	121	113 Å²	113	79%	0.786	61%	0.611	S	S	*	*				-136.4	174.8	112.8	15.9	6.4	0	0	0	112
727	A	21.3	Very low	24	Very low	102 Å²	102	105.5 Å²	105.5	84%	0.843	58%	0.578	S	S	*	*			cis	-159.5	172.5	-22.2	0	0	0	0	0	109.1
728	S	21.8	Very low	23.4	Very low	89 Å²	89	100 Å²	100	62%	0.622	54%	0.544	S	S	*	.			trans	-104	159.8	-176.2	67.1	0	0	0	0	114.1
729	K	22.2	Very low	22.7	Very low	197 Å²	197	95.7 Å²	95.7	86%	0.857	51%	0.514	S	S	*	.			trans	81.2	131.9	162.7	-51.1	154.1	-173.8	172.5	0	115.8
730	E	25.6	Very low	22.5	Very low	170 Å²	170	93.1 Å²	93.1	79%	0.794	49%	0.489	S	S	*	.			trans	-160	167.7	137.3	-125.5	-168.3	-113.5	0	0	111.1
731	N	22.3	Very low	22.3	Very low	111 Å²	111	88.3 Å²	88.3	59%	0.594	46%	0.464	S	S	*	.			trans	13.9	134.2	151.9	-71.7	-45.4	0	0	0	120.9
732	L	20.5	Very low	22	Very low	148 Å²	148	87.7 Å²	87.7	78%	0.775	46%	0.459	S	S	*	.				52	113.3	75.7	-83.9	80	0	0	0	114.3
733	Y	21.3	Very low	21.8	Very low	166 Å²	166	89.7 Å²	89.7	65%	0.651	47%	0.468	S	S	*	.				-164.9	153.2	121.2	-115.7	-137.7	0	0	0	107	Q660	Q660-Y733 PolarHBondContact NE2-O 2.76Å
734	I	20.8	Very low	21.8	Very low	97 Å²	97	88 Å²	88	50%	0.497	47%	0.47	S	S	.	.				48.3	166.2	94.1	-53.1	-164.9	0	0	0	112.3	Q660 E664	Q660-I734 WeakPolarHBondContact CG-O 3.03Å; Q660-I734 PolarHBondContact NE2-O 2.71Å; E664-I734 WeakPolarHBondContact OE1-CA 3.21Å; E664-I734 PolarHBondContact OE1-N 3.5Å
735	G	21.7	Very low	21.9	Very low	5 Å²	5	83.9 Å²	83.9	5%	0.052	46%	0.462	C	S	.	.			trans	65.3	65.3	-173.7	0	0	0	0	0	108.5	Q660 M661 E664	Q660-G735 CarbonylContact C-O 3.53Å; M661-G735 CarbonylContact C-O 2.88Å; M661-G735 WeakPolarHBondContact CA-O 3.27Å; M661-G735 VanDerWaalsContact N-CA 3.32Å; M661-G735 PolarHBondContact N-O 2.54Å; M661-G735 CarbonylContact O-C 3.26Å; E664-G735 WeakPolarHBondContact CG-O 2.93Å; E664-G735 PolarHBondContact N-O 3.35Å; E664-G735 VanDerWaalsContact N-O 3.11Å
736	S	21.3	Very low	21.7	Very low	28 Å²	28	80.4 Å²	80.4	20%	0.196	44%	0.437	C	S	.	.			cis	51.2	84.9	46.2	-74	0	0	0	0	110.3	N590 M661 E664	N590-S736 WeakPolarHBondContact ND2-CA 3.4Å; N590-S736 WeakPolarHBondContact ND2-CB 3.11Å; N590-S736 PolarHBondContact ND2-OG 3.31Å; M661-S736 WeakPolarHBondContact CA-O 3.15Å; M661-S736 VanDerWaalsContact CG-O 3.3Å; M661-S736 WeakPolarHBondContact CG-O 3.23Å; M661-S736 CarbonylContact O-C 3.57Å; E664-S736 VanDerWaalsContact CB-N 3.26Å; E664-S736 VanDerWaalsContact CG-N 3.3Å; E664-S736 VanDerWaalsContact OE2-CA 3.23Å; E664-S736 WeakPolarHBondContact OE2-CA 3.23Å; E664-S736 WeakPolarHBondContact OE2-CB 3.41Å; E664-S736 PolarHBondContact OE2-N 3.28Å; E664-S736 PolarHBondContact OE2-OG 3.48Å
737	D	19.6	Very low	21.9	Very low	0 Å²	0	79.4 Å²	79.4	0%	0	42%	0.424	C	S	.	.			trans	74.1	-162.5	141.1	175.8	33.5	0	0	0	113	C589 N590 L603 M661 K662 L739	C589-D737 WeakPolarHBondContact CA-OD2 3.35Å; C589-D737 PolarHBondContact SG-OD2 3.46Å; N590-D737 HydrophobicContact CB-CB 4.06Å; N590-D737 PolarHBondContact N-OD2 3Å; L603-D737 WeakPolarHBondContact CD1-OD1 3.29Å; M661-D737 CarbonylContact C-O 3.47Å; M661-D737 WeakPolarHBondContact CA-O 3.21Å; M661-D737 VanDerWaalsContact CB-O 3.27Å; M661-D737 WeakPolarHBondContact CB-O 3.27Å; M661-D737 CarbonylContact O-C 3.54Å; M661-D737 PolarHBondContact O-N 2.88Å; K662-D737 PolarHBondContact N-O 3.23Å; D737-L739 PolarHBondContact O-N 3.16Å; D737-L739 VanDerWaalsContact O-N 3.13Å
738	L	21	Very low	22.2	Very low	2 Å²	2	77.3 Å²	77.3	1%	0.01	40%	0.403	C	S	.	.			trans	58.7	50.1	155.1	-46.8	164.5	0	0	0	111.9	L591 L603 I604 A607 M661	L591-L738 HydrophobicContact CD1-CD1 4.38Å; L603-L738 HydrophobicContact CB-CD2 4.18Å; L603-L738 HydrophobicContact CD2-CD2 3.27Å; L603-L738 HydrophobicContact CD2-CG 4.39Å; L603-L738 HydrophobicContact CG-CD2 4.36Å; I604-L738 WeakPolarHBondContact CD1-O 3.26Å; I604-L738 HydrophobicContact CG1-CB 3.8Å; I604-L738 VanDerWaalsContact CG1-O 3.25Å; I604-L738 WeakPolarHBondContact CG1-O 3.45Å; A607-L738 HydrophobicContact CB-CB 3.93Å; A607-L738 HydrophobicContact CB-CD1 3.74Å; A607-L738 HydrophobicContact CB-CD2 3.46Å; A607-L738 VanDerWaalsContact CB-CD2 3.46Å; A607-L738 HydrophobicContact CB-CG 3.84Å; M661-L738 HydrophobicContact CB-CB 4.02Å; M661-L738 WeakPolarHBondContact CB-O 3.1Å; M661-L738 HydrophobicContact CE-CB 4.38Å; M661-L738 HydrophobicContact CE-CD1 3.38Å; M661-L738 HydrophobicContact CE-CG 4.47Å; M661-L738 HydrophobicContact CG-CB 3.76Å; M661-L738 HydrophobicContact CG-CD1 4.07Å; M661-L738 HydrophobicContact CG-CG 4.47Å; M661-L738 HydrophobicContact SD-CB 3.52Å; M661-L738 VanDerWaalsContact SD-CB 3.52Å; M661-L738 HydrophobicContact SD-CD1 3.74Å; M661-L738 HydrophobicContact SD-CG 4.24Å
739	L	20.4	Very low	22.4	Very low	0 Å²	0	79.5 Å²	79.5	0%	0	40%	0.398	C	S	.	.				43.7	142.9	77.4	-92.3	92.1	0	0	0	113.9	L587 N599 M600 L603 I604 C665 D737	L587-L739 HydrophobicContact CB-CD1 3.95Å; L587-L739 HydrophobicContact CB-CD2 3.65Å; L587-L739 HydrophobicContact CB-CG 4.45Å; L587-L739 HydrophobicContact CD1-CD1 4.1Å; L587-L739 HydrophobicContact CD1-CD2 3.53Å; L587-L739 HydrophobicContact CD1-CG 4.18Å; L587-L739 HydrophobicContact CD2-CD1 4.35Å; L587-L739 HydrophobicContact CG-CD1 4.32Å; L587-L739 HydrophobicContact CG-CD2 4.15Å; N599-L739 WeakPolarHBondContact O-CD2 3.38Å; M600-L739 HydrophobicContact CE-CD1 4.18Å; M600-L739 HydrophobicContact CE-CG 3.85Å; M600-L739 HydrophobicContact CG-CG 4.45Å; M600-L739 CarbonylContact O-C 3.54Å; M600-L739 WeakPolarHBondContact O-CA 3.27Å; M600-L739 WeakPolarHBondContact O-CB 3.48Å; M600-L739 WeakPolarHBondContact O-CD2 3.13Å; M600-L739 VanDerWaalsContact SD-CA 3.55Å; M600-L739 HydrophobicContact SD-CB 4.21Å; M600-L739 HydrophobicContact SD-CD1 4.32Å; M600-L739 HydrophobicContact SD-CG 3.78Å; L603-L739 HydrophobicContact CB-CB 3.22Å; L603-L739 HydrophobicContact CB-CD1 4.39Å; L603-L739 HydrophobicContact CB-CD2 3.7Å; L603-L739 HydrophobicContact CB-CG 3.92Å; L603-L739 HydrophobicContact CD1-CD1 4.24Å; L603-L739 HydrophobicContact CD1-CD2 3.8Å; L603-L739 HydrophobicContact CD1-CG 4.39Å; L603-L739 HydrophobicContact CG-CB 4.46Å; L603-L739 HydrophobicContact CG-CD2 4.33Å; I604-L739 VanDerWaalsContact CA-O 3.27Å; I604-L739 WeakPolarHBondContact CA-O 3.15Å; I604-L739 WeakPolarHBondContact CB-O 3.29Å; I604-L739 WeakPolarHBondContact CD1-O 3.36Å; I604-L739 WeakPolarHBondContact CG1-O 3.18Å; I604-L739 PolarHBondContact N-O 3.4Å; C665-L739 HydrophobicContact CB-CD1 4.12Å; C665-L739 WeakPolarHBondContact SG-CD1 3.25Å; D737-L739 PolarHBondContact O-N 3.16Å; D737-L739 VanDerWaalsContact O-N 3.13Å
740	Q	22	Very low	22.7	Very low	21 Å²	21	80.6 Å²	80.6	10%	0.098	40%	0.398	C	S	.	.			trans	82.2	144.1	167.7	-154.6	164.1	18.8	0	0	110.2	M600 S601 C602 L603 I604 A605	M600-Q740 WeakPolarHBondContact O-CA 3.49Å; M600-Q740 VanDerWaalsContact O-CB 3.26Å; M600-Q740 WeakPolarHBondContact O-CB 3.24Å; M600-Q740 PolarHBondContact O-N 3.09Å; S601-Q740 VanDerWaalsContact O-CG 3.23Å; S601-Q740 WeakPolarHBondContact O-CG 3.5Å; S601-Q740 PolarHBondContact O-NE2 2.98Å; C602-Q740 VanDerWaalsContact C-CD 3.47Å; C602-Q740 PolarHBondContact O-OE1 2.87Å; L603-Q740 VanDerWaalsContact CA-OE1 3.29Å; I604-Q740 HydrophobicContact CB-CB 3.84Å; I604-Q740 WeakPolarHBondContact CD1-O 3.47Å; A605-Q740 VanDerWaalsContact CB-CD 3.45Å; A605-Q740 HydrophobicContact CB-CG 4.47Å; A605-Q740 VanDerWaalsContact N-CD 3.29Å
741	N	23.2	Very low	22.5	Very low	49 Å²	49	75.3 Å²	75.3	26%	0.262	39%	0.389	S	S	.	.			cis	-98.9	-40.5	42.9	-68.9	-93.9	0	0	0	115.8	I604 K608 L743	I604-N741 WeakPolarHBondContact CG2-ND2 3.37Å; K608-N741 PolarHBondContact NZ-ND2 3.09Å; K608-N741 PolarHBondContact NZ-OD1 3.45Å; N741-L743 VanDerWaalsContact C-CB 3.46Å; N741-L743 VanDerWaalsContact C-N 3.33Å; N741-L743 CarbonylContact C-O 3.5Å; N741-L743 HydrophobicContact CB-CB 4.03Å; N741-L743 HydrophobicContact CB-CD1 4.44Å; N741-L743 VanDerWaalsContact O-CB 3.27Å; N741-L743 WeakPolarHBondContact O-CB 3.48Å; N741-L743 PolarHBondContact O-N 2.62Å
742	F	19.8	Very low	22.4	Very low	62 Å²	62	76.9 Å²	76.9	27%	0.272	40%	0.397	S	S	.	.			trans	39.7	43.9	162.6	-79.6	-130.6	0	0	0	114.8	M600 S601 V744 E1266	M600-F742 HydrophobicContact CB-CB 4.43Å; M600-F742 HydrophobicContact CB-CD1 3.6Å; M600-F742 HydrophobicContact CB-CE1 3.97Å; M600-F742 HydrophobicContact CB-CG 3.97Å; M600-F742 HydrophobicContact CG-CD1 4.06Å; M600-F742 HydrophobicContact CG-CD2 4.32Å; M600-F742 HydrophobicContact CG-CE1 4.09Å; M600-F742 HydrophobicContact CG-CE2 4.34Å; M600-F742 HydrophobicContact CG-CG 4.21Å; M600-F742 HydrophobicContact CG-CZ 4.25Å; S601-F742 WeakPolarHBondContact CB-O 3.39Å; S601-F742 WeakPolarHBondContact OG-CB 3.15Å; S601-F742 PolarHBondContact OG-O 3.08Å; F742-V744 CarbonylContact C-O 3.39Å; F742-V744 HydrophobicContact CB-CG1 4.14Å; F742-V744 HydrophobicContact CD1-CG1 4Å; F742-V744 HydrophobicContact CD2-CB 4.28Å; F742-V744 HydrophobicContact CD2-CG1 3.57Å; F742-V744 HydrophobicContact CE1-CG1 4.27Å; F742-V744 HydrophobicContact CE2-CG1 3.87Å; F742-V744 HydrophobicContact CG-CB 4.41Å; F742-V744 HydrophobicContact CG-CG1 3.62Å; F742-V744 HydrophobicContact CZ-CG1 4.2Å; F742-E1266 WeakPolarHBondContact CA-OE1 3.2Å; F742-E1266 WeakPolarHBondContact CB-OE1 3.47Å; F742-E1266 HydrophobicContact CD1-CG 4.48Å; F742-E1266 WeakPolarHBondContact CD1-OE1 3.46Å; F742-E1266 WeakPolarHBondContact CD1-OE2 3.37Å; F742-E1266 VanDerWaalsContact CE1-OE2 3.22Å; F742-E1266 WeakPolarHBondContact CE1-OE2 3.47Å; F742-E1266 VanDerWaalsContact CG-OE1 3.27Å; F742-E1266 WeakPolarHBondContact CG-OE1 3.44Å
743	L	18.9	Very low	22.6	Very low	142 Å²	142	75.4 Å²	75.4	74%	0.743	40%	0.4	S	S	*	.			cis	21	85.9	15.9	-55.9	172.8	0	0	0	115.2	N741	N741-L743 VanDerWaalsContact C-CB 3.46Å; N741-L743 VanDerWaalsContact C-N 3.33Å; N741-L743 CarbonylContact C-O 3.5Å; N741-L743 HydrophobicContact CB-CB 4.03Å; N741-L743 HydrophobicContact CB-CD1 4.44Å; N741-L743 VanDerWaalsContact O-CB 3.27Å; N741-L743 WeakPolarHBondContact O-CB 3.48Å; N741-L743 PolarHBondContact O-N 2.62Å
744	V	20.7	Very low	22.6	Very low	70 Å²	70	71.2 Å²	71.2	42%	0.424	41%	0.406	S	S	.	.				95.2	144.9	-114.8	151.2	0	0	0	0	108.2	F742 T746 E1266	F742-V744 CarbonylContact C-O 3.39Å; F742-V744 HydrophobicContact CB-CG1 4.14Å; F742-V744 HydrophobicContact CD1-CG1 4Å; F742-V744 HydrophobicContact CD2-CB 4.28Å; F742-V744 HydrophobicContact CD2-CG1 3.57Å; F742-V744 HydrophobicContact CE1-CG1 4.27Å; F742-V744 HydrophobicContact CE2-CG1 3.87Å; F742-V744 HydrophobicContact CG-CB 4.41Å; F742-V744 HydrophobicContact CG-CG1 3.62Å; F742-V744 HydrophobicContact CZ-CG1 4.2Å; V744-T746 HydrophobicContact CG1-CG2 3.83Å; V744-T746 WeakPolarHBondContact CG1-OG1 3.35Å; V744-T746 HydrophobicContact CG2-CG2 4.44Å; V744-E1266 VanDerWaalsContact CG1-OE1 3.27Å; V744-E1266 WeakPolarHBondContact CG1-OE1 3.39Å; V744-E1266 WeakPolarHBondContact CG1-OE2 3.47Å
745	P	25	Very low	22.8	Very low	65 Å²	65	70.6 Å²	70.6	42%	0.422	42%	0.424	S	S	.	.			cis	-45.3	140.9	29.4	11.8	-30.4	0	0	0	117.4	A1264 E1266	P745-A1264 HydrophobicContact CG-CB 3.97Å; P745-E1266 VanDerWaalsContact CA-CD 3.42Å; P745-E1266 HydrophobicContact CB-CG 3.98Å; P745-E1266 HydrophobicContact CG-CG 4.35Å; P745-E1266 VanDerWaalsContact N-OE1 3.15Å
746	T	22.1	Very low	22.9	Very low	44 Å²	44	76.2 Å²	76.2	27%	0.27	45%	0.453	S	S	.	.			cis	32.4	87.5	20.2	65.3	0	0	0	0	116.9	V744 C748 E1266	V744-T746 HydrophobicContact CG1-CG2 3.83Å; V744-T746 WeakPolarHBondContact CG1-OG1 3.35Å; V744-T746 HydrophobicContact CG2-CG2 4.44Å; T746-C748 VanDerWaalsContact CG2-O 3.22Å; T746-C748 WeakPolarHBondContact CG2-O 3.35Å; T746-E1266 VanDerWaalsContact O-OE2 3.12Å; T746-E1266 PolarHBondContact OG1-OE2 2.82Å
747	D	27.5	Very low	22.9	Very low	99 Å²	99	83.6 Å²	83.6	53%	0.529	48%	0.484	S	S	.	.			cis	-48.9	99.6	41.5	-45.9	-43.2	0	0	0	120	K1269	D747-K1269 IonicContact OD1-NZ 2.72Å; D747-K1269 PolarHBondContact OD1-NZ 2.71Å; D747-K1269 WeakPolarHBondContact OD2-CE 3.38Å; D747-K1269 IonicContact OD2-NZ 2.69Å; D747-K1269 PolarHBondContact OD2-NZ 2.65Å
748	C	29.4	Very low	23	Very low	58 Å²	58	86.7 Å²	86.7	39%	0.392	52%	0.516	S	S	.	.	S	Bend	trans	170.4	110.4	152.3	-99.3	0	0	0	0	109.8	T746	T746-C748 VanDerWaalsContact CG2-O 3.22Å; T746-C748 WeakPolarHBondContact CG2-O 3.35Å
749	R	25.5	Very low	23.1	Very low	136 Å²	136	94.6 Å²	94.6	51%	0.513	56%	0.558	S	S	.	*			trans	70.8	136.1	165.7	-55.8	176	-156	175	9.5	113.5	H805	R749-H805 PolarHBondContact NH2-CE1 2.97Å; R749-H805 PolarHBondContact NH2-ND1 3.28Å
750	Y	27.3	Very low	23.2	Very low	220 Å²	220	97.9 Å²	97.9	86%	0.863	59%	0.592	S	S	*	*	S	Bend	cis	54.6	119.6	5.5	-128.2	-77.2	0	0	0	119.2
751	G	22.8	Very low	23.2	Very low	59 Å²	59	103 Å²	103	61%	0.608	62%	0.624	S	S	*	*			trans	-25.9	130.2	170.2	0	0	0	0	0	115.4
752	N	20	Very low	23.2	Very low	143 Å²	143	106.6 Å²	106.6	77%	0.765	65%	0.648	S	S	*	*			cis	63.7	57.9	9.5	-154.5	110.2	0	0	0	115
753	S	23.8	Very low	23.4	Very low	118 Å²	118	109.2 Å²	109.2	83%	0.825	67%	0.669	S	S	*	*				-110.9	146.2	129.1	48.6	0	0	0	0	107.5
754	G	20.8	Very low	23.5	Very low	77 Å²	77	111.3 Å²	111.3	79%	0.794	67%	0.672	S	S	*	*			cis	111.6	68.4	11.5	0	0	0	0	0	109.3
755	G	26.6	Very low	23.6	Very low	84 Å²	84	115.4 Å²	115.4	87%	0.866	68%	0.684	S	S	*	*			trans	-131.6	77	179.9	0	0	0	0	0	109.3
756	D	23.7	Very low	23.3	Very low	123 Å²	123	119 Å²	119	66%	0.658	70%	0.695	S	S	*	*			trans	-161.2	137.4	171	-168.4	50.2	0	0	0	102.8
757	H	21.1	Very low	23.5	Very low	184 Å²	184	122.8 Å²	122.8	85%	0.852	72%	0.718	S	S	*	*	S	Bend	cis	-117.8	143.8	42.4	-57	-56	0	0	0	115.5
758	G	21.3	Very low	23.1	Very low	65 Å²	65	121.8 Å²	121.8	67%	0.67	72%	0.724	S	S	*	*			trans	149.4	109.3	166.4	0	0	0	0	0	112.2
759	D	24.2	Very low	22.8	Very low	168 Å²	168	129 Å²	129	90%	0.898	74%	0.744	S	S	*	*			trans	-65.1	153.3	-171.3	-130.5	-42.4	0	0	0	114.3
760	G	22.6	Very low	22.7	Very low	68 Å²	68	129.4 Å²	129.4	70%	0.701	76%	0.756	S	S	*	*			trans	-178.9	139.9	-177.3	0	0	0	0	0	114.7
761	V	21	Very low	22.5	Very low	128 Å²	128	123.8 Å²	123.8	78%	0.776	75%	0.745	S	S	*	*			trans	-131.7	124.2	-152.4	165.8	0	0	0	0	114.4
762	V	23.7	Very low	22.4	Very low	126 Å²	126	127.4 Å²	127.4	76%	0.764	75%	0.746	S	S	*	*			trans	76.1	108.2	148	160.4	0	0	0	0	121.8
763	V	22.9	Very low	22.9	Very low	117 Å²	117	125.6 Å²	125.6	71%	0.709	74%	0.741	S	S	*	*				91.6	132.2	125.9	163	0	0	0	0	124.6
764	K	21.7	Very low	22.8	Very low	185 Å²	185	124.2 Å²	124.2	80%	0.804	73%	0.731	S	S	*	*			trans	93.1	125.8	146.7	-101.9	166.6	-170.2	176.1	0	124.4
765	K	22.3	Very low	22.8	Very low	157 Å²	157	126.1 Å²	126.1	68%	0.683	72%	0.719	S	S	*	*			trans	83.2	132.7	130	-114.6	-177.4	170.5	-131.9	0	124.1
766	E	19.9	Very low	22.6	Very low	140 Å²	140	125.8 Å²	125.8	65%	0.654	70%	0.696	S	S	*	*			trans	79.7	152.6	134.8	-102.4	151.3	-153.2	0	0	126.2
767	T	25.3	Very low	23	Very low	124 Å²	124	121.2 Å²	121.2	76%	0.761	67%	0.673	S	S	*	*			trans	61.3	141.3	171.3	49.2	0	0	0	0	119.4
768	A	19.9	Very low	23.7	Very low	78 Å²	78	113.9 Å²	113.9	65%	0.645	65%	0.647	S	S	*	*			cis	105.6	150.3	5.6	0	0	0	0	0	117.2
769	Y	22.5	Very low	24.2	Very low	209 Å²	209	116.7 Å²	116.7	82%	0.82	65%	0.646	S	S	*	*			trans	74.3	148.1	178.6	-55	-72.2	0	0	0	115.6
770	L	23.4	Very low	25	Very low	145 Å²	145	110.7 Å²	110.7	76%	0.759	62%	0.624	S	S	*	*			cis	-153.1	-178.8	-2.1	-114.9	164.1	0	0	0	113
771	T	22.4	Very low	26	Very low	102 Å²	102	112.1 Å²	112.1	63%	0.626	61%	0.611	S	S	*	*			trans	-55.1	177.6	-179.8	46.5	0	0	0	0	118.3
772	E	21.6	Very low	27.6	Very low	135 Å²	135	110.3 Å²	110.3	63%	0.631	59%	0.592	S	S	*	*			cis	-148.2	-161.6	15.7	-138.5	178.4	-128.5	0	0	112.8	K975	E772-K975 IonicContact OE1-NZ 3.81Å; E772-K975 PolarHBondContact OE1-NZ 2.89Å; E772-K975 IonicContact OE2-NZ 2.77Å
773	P	29.8	Very low	29.3	Very low	104 Å²	104	108 Å²	108	68%	0.675	58%	0.575	S	S	*	*				-126.6	169.2	-123.5	44.1	-26.2	0	0	0	117.9
774	C	21.9	Very low	31.6	Very low	89 Å²	89	102.5 Å²	102.5	60%	0.601	54%	0.541	S	S	*	.				-157.5	142.6	129	-145.1	0	0	0	0	110.8
775	E	20.3	Very low	33.7	Very low	118 Å²	118	96.6 Å²	96.6	55%	0.551	52%	0.523	S	S	*	.			trans	-83.2	133.8	-170.2	-63.7	-174.8	95.9	0	0	113.2	K533 S881	K533-E775 IonicContact NZ-OE1 3.84Å; K533-E775 PolarHBondContact NZ-OE1 2.84Å; E775-S881 PolarHBondContact O-OG 2.84Å; E775-S881 VanDerWaalsContact O-OG 3.12Å
776	M	24.3	Very low	35.9	Very low	76 Å²	76	93.5 Å²	93.5	37%	0.374	51%	0.513	S	S	.	.				-169.9	152.3	96.5	-84.4	-93.1	-73.8	0	0	110.8	D535	D535-M776 HydrophobicContact CB-CB 3.45Å; D535-M776 VanDerWaalsContact CB-CB 3.45Å; D535-M776 WeakPolarHBondContact OD2-CB 3.45Å
777	P	31.7	Very low	38.3	Very low	28 Å²	28	87 Å²	87	18%	0.182	48%	0.484	C	S	.	.			trans	-103.9	-135.6	-137.5	-13.8	37.8	0	0	0	123.1	K533 F534 D535	K533-P777 HydrophobicContact CB-CB 3.83Å; K533-P777 HydrophobicContact CB-CG 3.61Å; K533-P777 HydrophobicContact CD-CG 3.92Å; K533-P777 HydrophobicContact CG-CB 4.43Å; K533-P777 HydrophobicContact CG-CG 3.67Å; F534-P777 VanDerWaalsContact C-N 3.32Å; F534-P777 CarbonylContact C-O 3.57Å; F534-P777 VanDerWaalsContact CA-C 3.4Å; D535-P777 VanDerWaalsContact N-C 3.28Å; D535-P777 PolarHBondContact N-O 2.63Å
778	G	34.1	Very low	39.8	Very low	29 Å²	29	85.5 Å²	85.5	30%	0.299	48%	0.478	S	S	.	.			trans	-97.2	139	-133.5	0	0	0	0	0	122.9	K533	K533-G778 PolarHBondContact O-N 3.05Å
779	L	33.2	Very low	41.7	Very low	124 Å²	124	85.7 Å²	85.7	65%	0.649	47%	0.471	S	S	*	.			trans	-105.7	156.5	156.2	-61.7	90.6	0	0	0	111.6	F302	F302-L779 HydrophobicContact CB-CB 3.94Å; F302-L779 HydrophobicContact CB-CD2 3.81Å; F302-L779 HydrophobicContact CB-CG 3.53Å; F302-L779 HydrophobicContact CD1-CB 4.27Å; F302-L779 HydrophobicContact CD2-CB 3.75Å; F302-L779 HydrophobicContact CD2-CD2 3.88Å; F302-L779 HydrophobicContact CD2-CG 4.05Å; F302-L779 HydrophobicContact CE2-CB 4.4Å; F302-L779 HydrophobicContact CG-CB 3.68Å; F302-L779 HydrophobicContact CG-CD2 4.13Å; F302-L779 HydrophobicContact CG-CG 3.87Å
780	G	40.2	Very low	43.8	Very low	42 Å²	42	79.1 Å²	79.1	43%	0.433	45%	0.445	S	S	.	.			trans	-139.5	20.3	-167.5	0	0	0	0	0	119.1	F302	F302-G780 VanDerWaalsContact CD1-N 3.3Å; F302-G780 VanDerWaalsContact CE1-CA 3.48Å; F302-G780 VanDerWaalsContact CZ-CA 3.42Å
781	K	43.9	Very low	45.7	Very low	99 Å²	99	75.9 Å²	75.9	43%	0.43	43%	0.428	S	S	.	.			trans	-83.7	120.7	175.9	-91.9	157	-146.1	143	0	109.8	S301 F302 I791	S301-K781 PolarHBondContact O-NZ 3.22Å; S301-K781 VanDerWaalsContact O-NZ 3.13Å; F302-K781 HydrophobicContact CD2-CD 4.27Å; F302-K781 HydrophobicContact CE2-CB 3.74Å; F302-K781 HydrophobicContact CE2-CD 3.47Å; F302-K781 VanDerWaalsContact CE2-CD 3.47Å; F302-K781 HydrophobicContact CE2-CG 3.41Å; F302-K781 VanDerWaalsContact CE2-CG 3.41Å; F302-K781 HydrophobicContact CZ-CB 4.18Å; F302-K781 HydrophobicContact CZ-CD 4.32Å; F302-K781 HydrophobicContact CZ-CG 3.83Å; K781-I791 HydrophobicContact CB-CG2 3.6Å; K781-I791 HydrophobicContact CD-CG2 4.41Å; K781-I791 HydrophobicContact CG-CG2 3.73Å
782	K	54.1	Low	47.8	Very low	90 Å²	90	71.1 Å²	71.1	39%	0.391	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.3	-176.2	-57.5	-170.6	-179.9	-172.1	0	111.6	I791 A792 F861	K782-I791 CarbonylContact O-C 3.59Å; K782-A792 PolarHBondContact N-O 3.03Å; K782-A792 PolarHBondContact O-N 2.95Å; K782-F861 HydrophobicContact CD-CE1 3.88Å; K782-F861 HydrophobicContact CD-CZ 3.73Å; K782-F861 HydrophobicContact CG-CE1 4.35Å
783	I	60.4	Low	49.6	Very low	78 Å²	78	71.3 Å²	71.3	40%	0.4	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.6	-168.2	-49.7	-175.2	0	0	0	111.1	C785 I791 C860	I783-C785 PolarHBondContact O-N 2.83Å; I783-C785 VanDerWaalsContact O-N 3.15Å; I783-I791 HydrophobicContact CG1-CG1 4.18Å; I783-C860 VanDerWaalsContact O-CB 3.29Å; I783-C860 WeakPolarHBondContact O-CB 3.27Å
784	C	70.8	Confident	51.2	Low	0 Å²	0	68.7 Å²	68.7	0%	0	38%	0.384	C	S	.	.			trans	-77.5	103.3	175.6	-175.1	0	0	0	0	112.7	L786 C787 S788 Y790 F798 H801	C784-L786 PolarHBondContact O-N 2.58Å; C784-L786 VanDerWaalsContact O-N 3.08Å; C784-C787 PolarHBondContact O-N 3.13Å; C784-S788 PolarHBondContact O-N 3.02Å; C784-Y790 HydrophobicContact CB-CD1 4.46Å; C784-Y790 PolarHBondContact N-O 2.86Å; C784-F798 HydrophobicContact CB-CE2 4.1Å; C784-H801 VanDerWaalsContact CB-NE2 3.27Å; C784-H801 WeakPolarHBondContact CB-NE2 3.28Å; C784-H801 PolarHBondContact SG-CD2 3.13Å; C784-H801 PolarHBondContact SG-NE2 3.35Å
785	C	66.1	Low	53.1	Low	61 Å²	61	68 Å²	68	41%	0.412	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-25.4	172.7	50.5	0	0	0	0	115.8	I783 R859 C860	I783-C785 PolarHBondContact O-N 2.83Å; I783-C785 VanDerWaalsContact O-N 3.15Å; C785-R859 PolarHBondContact SG-O 3.45Å; C785-C860 HydrophobicContact CB-CB 4.04Å; C785-C860 WeakPolarHBondContact CB-SG 3.32Å; C785-C860 PolarHBondContact N-SG 3.09Å; C785-C860 WeakPolarHBondContact SG-CA 3.36Å; C785-C860 WeakPolarHBondContact SG-CB 3.25Å; C785-C860 CovalentContact SG-SG 2.06Å; C785-C860 PolarHBondContact SG-SG 2.65Å
786	L	68.9	Low	55.6	Low	93 Å²	93	66 Å²	66	49%	0.487	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-5.7	176.3	-63.7	-175.9	0	0	0	115.1	C784 H805 M856	C784-L786 PolarHBondContact O-N 2.58Å; C784-L786 VanDerWaalsContact O-N 3.08Å; L786-H805 VanDerWaalsContact C-CE1 3.45Å; L786-H805 WeakPolarHBondContact CB-CE1 3.05Å; L786-H805 WeakPolarHBondContact CB-ND1 3.43Å; L786-H805 HydrophobicContact CD1-CB 3.92Å; L786-H805 PolarHBondContact O-CE1 3.34Å; L786-M856 HydrophobicContact CD1-CE 3.6Å; L786-M856 HydrophobicContact CD1-CG 4.43Å; L786-M856 HydrophobicContact CD1-SD 3.81Å; L786-M856 HydrophobicContact CG-CE 4.11Å
787	C	69.3	Low	58	Low	4 Å²	4	64.3 Å²	64.3	3%	0.027	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	-5.2	174.9	69.7	0	0	0	0	115.4	C784 T789 Y790 H801	C784-C787 PolarHBondContact O-N 3.13Å; C787-T789 WeakPolarHBondContact O-CB 3.27Å; C787-T789 WeakPolarHBondContact O-CG2 3.39Å; C787-T789 PolarHBondContact O-N 3.06Å; C787-T789 PolarHBondContact O-OG1 3.02Å; C787-Y790 WeakPolarHBondContact SG-CB 3.45Å; C787-H801 PolarHBondContact SG-CE1 2.98Å; C787-H801 PolarHBondContact SG-NE2 3.47Å; C787-H801 VanDerWaalsContact SG-NE2 3.38Å
788	S	56.6	Low	60.3	Low	92 Å²	92	63.3 Å²	63.3	64%	0.643	37%	0.366	S	S	*	.	S	Bend	trans	50.3	9.7	176.5	46.2	0	0	0	0	116.9	C784	C784-S788 PolarHBondContact O-N 3.02Å
789	T	60.7	Low	62.4	Low	81 Å²	81	64.9 Å²	64.9	50%	0.497	37%	0.366	S	S	.	.	S	Bend	trans	-132.2	-20.8	-171.8	49.4	0	0	0	0	113.2	C787 I791	C787-T789 WeakPolarHBondContact O-CB 3.27Å; C787-T789 WeakPolarHBondContact O-CG2 3.39Å; C787-T789 PolarHBondContact O-N 3.06Å; C787-T789 PolarHBondContact O-OG1 3.02Å; T789-I791 PolarHBondContact O-N 2.94Å
790	Y	66.9	Low	64.3	Low	72 Å²	72	61.9 Å²	61.9	28%	0.282	35%	0.35	S	S	.	.			trans	-89.7	105.5	175.2	-173	-102	0	0	0	110.8	C784 C787 A792 S797 H801	C784-Y790 HydrophobicContact CB-CD1 4.46Å; C784-Y790 PolarHBondContact N-O 2.86Å; C787-Y790 WeakPolarHBondContact SG-CB 3.45Å; Y790-A792 HydrophobicContact CD1-CB 4.25Å; Y790-A792 HydrophobicContact CE1-CB 3.81Å; Y790-S797 PolarHBondContact OH-O 3.06Å; Y790-H801 WeakPolarHBondContact CB-CE1 3.49Å; Y790-H801 HydrophobicContact CD1-CB 3.63Å; Y790-H801 AromaticContact CD1-CD2 3.59Å; Y790-H801 AromaticContact CD1-CE1 3.69Å; Y790-H801 AromaticContact CD1-CG 3.2Å; Y790-H801 AromaticContact CD1-ND1 3.25Å; Y790-H801 WeakPolarHBondContact CD1-ND1 3.45Å; Y790-H801 AromaticContact CD1-NE2 3.87Å; Y790-H801 AromaticContact CD2-ND1 3.65Å; Y790-H801 HydrophobicContact CE1-CB 3.26Å; Y790-H801 AromaticContact CE1-CG 3.45Å; Y790-H801 VanDerWaalsContact CE1-CG 3.45Å; Y790-H801 AromaticContact CE1-ND1 3.73Å; Y790-H801 HydrophobicContact CG-CB 4.4Å; Y790-H801 AromaticContact CG-CE1 3.43Å; Y790-H801 VanDerWaalsContact CG-CE1 3.43Å; Y790-H801 AromaticContact CG-CG 3.69Å; Y790-H801 AromaticContact CG-ND1 3.18Å
791	I	61.7	Low	66.3	Low	77 Å²	77	60.5 Å²	60.5	40%	0.395	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118.7	170.3	-51.1	-174	0	0	0	108.1	K781 K782 I783 T789	K781-I791 HydrophobicContact CB-CG2 3.6Å; K781-I791 HydrophobicContact CD-CG2 4.41Å; K781-I791 HydrophobicContact CG-CG2 3.73Å; K782-I791 CarbonylContact O-C 3.59Å; I783-I791 HydrophobicContact CG1-CG1 4.18Å; T789-I791 PolarHBondContact O-N 2.94Å
792	A	67.7	Low	68.1	Low	1 Å²	1	55.8 Å²	55.8	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.7	178.2	0	0	0	0	0	110.3	K782 Y790 N794 F798	K782-A792 PolarHBondContact N-O 3.03Å; K782-A792 PolarHBondContact O-N 2.95Å; Y790-A792 HydrophobicContact CD1-CB 4.25Å; Y790-A792 HydrophobicContact CE1-CB 3.81Å; A792-N794 PolarHBondContact O-N 2.95Å; A792-F798 HydrophobicContact CB-CB 3.66Å; A792-F798 HydrophobicContact CB-CD2 4.21Å; A792-F798 HydrophobicContact CB-CG 4.46Å
793	N	59.8	Low	69.4	Low	139 Å²	139	51.9 Å²	51.9	74%	0.743	30%	0.296	S	S	*	.	S	Bend	trans	-74.3	-12.2	177.1	-62.4	2.8	0	0	0	113
794	N	61.5	Low	70.3	Confident	50 Å²	50	52.9 Å²	52.9	27%	0.267	30%	0.298	S	S	.	.	S	Bend	trans	-150.2	161.1	172.3	69	26	0	0	0	112.7	A792 S796 S797 F798	A792-N794 PolarHBondContact O-N 2.95Å; N794-S796 VanDerWaalsContact C-N 3.29Å; N794-S796 PolarHBondContact O-N 3.43Å; N794-S796 PolarHBondContact OD1-N 3.34Å; N794-S797 PolarHBondContact O-N 3.01Å; N794-S797 VanDerWaalsContact OD1-CB 3.23Å; N794-S797 WeakPolarHBondContact OD1-CB 3.44Å; N794-S797 PolarHBondContact OD1-N 2.73Å; N794-S797 PolarHBondContact OD1-OG 2.81Å; N794-F798 PolarHBondContact O-N 2.88Å; N794-F798 VanDerWaalsContact O-N 3.12Å
795	P	63.8	Low	70.7	Confident	74 Å²	74	54.9 Å²	54.9	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-61.7	-31.7	-176.6	-25.4	35.9	0	0	0	114.1	F798 E799	P795-F798 WeakPolarHBondContact O-CB 3.21Å; P795-F798 PolarHBondContact O-N 3.2Å; P795-E799 VanDerWaalsContact O-CB 3.22Å; P795-E799 WeakPolarHBondContact O-CB 3.17Å; P795-E799 PolarHBondContact O-N 3.12Å
796	S	71.6	Confident	71.3	Confident	76 Å²	76	54.5 Å²	54.5	53%	0.531	30%	0.3	S	S	.	.	H	α-helix	trans	-70	-33.9	178.3	-57.3	0	0	0	0	112.4	N794 E799 N800	N794-S796 VanDerWaalsContact C-N 3.29Å; N794-S796 PolarHBondContact O-N 3.43Å; N794-S796 PolarHBondContact OD1-N 3.34Å; S796-E799 PolarHBondContact O-N 3.48Å; S796-N800 WeakPolarHBondContact O-CB 3.36Å; S796-N800 PolarHBondContact O-N 3.24Å; S796-N800 PolarHBondContact O-ND2 3.25Å
797	S	75.6	Confident	71.6	Confident	40 Å²	40	54.7 Å²	54.7	28%	0.28	30%	0.302	S	S	.	.	H	α-helix	trans	-69.7	-42.2	172.8	-60.6	0	0	0	0	110.7	Y790 N794 E799 H801	Y790-S797 PolarHBondContact OH-O 3.06Å; N794-S797 PolarHBondContact O-N 3.01Å; N794-S797 VanDerWaalsContact OD1-CB 3.23Å; N794-S797 WeakPolarHBondContact OD1-CB 3.44Å; N794-S797 PolarHBondContact OD1-N 2.73Å; N794-S797 PolarHBondContact OD1-OG 2.81Å; S797-E799 VanDerWaalsContact C-N 3.32Å; S797-E799 PolarHBondContact O-N 3.5Å; S797-H801 VanDerWaalsContact O-CB 3.27Å; S797-H801 WeakPolarHBondContact O-CB 3.07Å; S797-H801 PolarHBondContact O-N 3.04Å; S797-H801 VanDerWaalsContact O-N 3.08Å
798	F	79.8	Confident	72.2	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.035	31%	0.307	C	S	.	.	H	α-helix	trans	-58.3	-44.1	170.5	-174.9	-84.7	0	0	0	111.4	C784 A792 N794 P795 H801 A802 M856 K857 C860	C784-F798 HydrophobicContact CB-CE2 4.1Å; A792-F798 HydrophobicContact CB-CB 3.66Å; A792-F798 HydrophobicContact CB-CD2 4.21Å; A792-F798 HydrophobicContact CB-CG 4.46Å; N794-F798 PolarHBondContact O-N 2.88Å; N794-F798 VanDerWaalsContact O-N 3.12Å; P795-F798 WeakPolarHBondContact O-CB 3.21Å; P795-F798 PolarHBondContact O-N 3.2Å; F798-H801 CarbonylContact O-C 3.31Å; F798-H801 WeakPolarHBondContact O-CA 3.39Å; F798-H801 WeakPolarHBondContact O-CB 3.12Å; F798-H801 PolarHBondContact O-N 3.31Å; F798-H801 VanDerWaalsContact O-N 3.13Å; F798-A802 HydrophobicContact CD1-CB 4.4Å; F798-A802 HydrophobicContact CE1-CB 4.17Å; F798-A802 WeakPolarHBondContact O-CB 3.25Å; F798-A802 PolarHBondContact O-N 3.05Å; F798-M856 HydrophobicContact CE1-CB 3.92Å; F798-M856 HydrophobicContact CZ-CB 4.08Å; F798-M856 HydrophobicContact CZ-CE 4.22Å; F798-M856 WeakPolarHBondContact CZ-O 3.28Å; F798-K857 HydrophobicContact CD1-CG 3.55Å; F798-K857 HydrophobicContact CE1-CB 4.28Å; F798-K857 HydrophobicContact CE1-CG 3.56Å; F798-K857 HydrophobicContact CG-CG 4.47Å; F798-K857 HydrophobicContact CZ-CG 4.49Å; F798-C860 HydrophobicContact CE2-CB 3.99Å; F798-C860 HydrophobicContact CZ-CB 4.15Å; F798-C860 VanDerWaalsContact CZ-SG 3.59Å
799	E	76.9	Confident	73.6	Confident	62 Å²	62	54.7 Å²	54.7	29%	0.29	29%	0.289	S	S	.	.	H	α-helix	trans	-68.2	-44.8	-177.8	-179.8	149.5	174	0	0	112.9	P795 S796 S797 H801 A802 C803 I853 K857	P795-E799 VanDerWaalsContact O-CB 3.22Å; P795-E799 WeakPolarHBondContact O-CB 3.17Å; P795-E799 PolarHBondContact O-N 3.12Å; S796-E799 PolarHBondContact O-N 3.48Å; S797-E799 VanDerWaalsContact C-N 3.32Å; S797-E799 PolarHBondContact O-N 3.5Å; E799-H801 PolarHBondContact O-N 3.14Å; E799-A802 PolarHBondContact O-N 2.89Å; E799-C803 PolarHBondContact O-N 2.96Å; E799-C803 PolarHBondContact O-SG 3.46Å; E799-I853 HydrophobicContact CB-CG2 4.12Å; E799-I853 HydrophobicContact CG-CD1 4.14Å; E799-I853 HydrophobicContact CG-CG2 3.74Å; E799-K857 IonicContact OE2-NZ 3.19Å; E799-K857 PolarHBondContact OE2-NZ 2.17Å
800	N	75.1	Confident	74.5	Confident	61 Å²	61	51.2 Å²	51.2	33%	0.326	27%	0.268	S	S	.	.	H	α-helix	trans	-63.3	-21.4	170.8	-80.7	-86	0	0	0	113	S796 Y821	S796-N800 WeakPolarHBondContact O-CB 3.36Å; S796-N800 PolarHBondContact O-N 3.24Å; S796-N800 PolarHBondContact O-ND2 3.25Å; N800-Y821 PolarHBondContact OD1-O 3.42Å
801	H	82.2	Confident	75.6	Confident	12 Å²	12	50.3 Å²	50.3	6%	0.056	26%	0.264	C	S	.	.	H	α-helix	trans	-87.5	-40.7	174.5	172.4	93.8	0	0	0	112.3	C784 C787 Y790 S797 F798 E799 C803 K804 H805	C784-H801 VanDerWaalsContact CB-NE2 3.27Å; C784-H801 WeakPolarHBondContact CB-NE2 3.28Å; C784-H801 PolarHBondContact SG-CD2 3.13Å; C784-H801 PolarHBondContact SG-NE2 3.35Å; C787-H801 PolarHBondContact SG-CE1 2.98Å; C787-H801 PolarHBondContact SG-NE2 3.47Å; C787-H801 VanDerWaalsContact SG-NE2 3.38Å; Y790-H801 WeakPolarHBondContact CB-CE1 3.49Å; Y790-H801 HydrophobicContact CD1-CB 3.63Å; Y790-H801 AromaticContact CD1-CD2 3.59Å; Y790-H801 AromaticContact CD1-CE1 3.69Å; Y790-H801 AromaticContact CD1-CG 3.2Å; Y790-H801 AromaticContact CD1-ND1 3.25Å; Y790-H801 WeakPolarHBondContact CD1-ND1 3.45Å; Y790-H801 AromaticContact CD1-NE2 3.87Å; Y790-H801 AromaticContact CD2-ND1 3.65Å; Y790-H801 HydrophobicContact CE1-CB 3.26Å; Y790-H801 AromaticContact CE1-CG 3.45Å; Y790-H801 VanDerWaalsContact CE1-CG 3.45Å; Y790-H801 AromaticContact CE1-ND1 3.73Å; Y790-H801 HydrophobicContact CG-CB 4.4Å; Y790-H801 AromaticContact CG-CE1 3.43Å; Y790-H801 VanDerWaalsContact CG-CE1 3.43Å; Y790-H801 AromaticContact CG-CG 3.69Å; Y790-H801 AromaticContact CG-ND1 3.18Å; S797-H801 VanDerWaalsContact O-CB 3.27Å; S797-H801 WeakPolarHBondContact O-CB 3.07Å; S797-H801 PolarHBondContact O-N 3.04Å; S797-H801 VanDerWaalsContact O-N 3.08Å; F798-H801 CarbonylContact O-C 3.31Å; F798-H801 WeakPolarHBondContact O-CA 3.39Å; F798-H801 WeakPolarHBondContact O-CB 3.12Å; F798-H801 PolarHBondContact O-N 3.31Å; F798-H801 VanDerWaalsContact O-N 3.13Å; E799-H801 PolarHBondContact O-N 3.14Å; H801-C803 PolarHBondContact O-N 3.47Å; H801-K804 WeakPolarHBondContact O-CA 3.29Å; H801-K804 VanDerWaalsContact O-CB 3.25Å; H801-K804 WeakPolarHBondContact O-CB 3.44Å; H801-K804 PolarHBondContact O-N 3.28Å; H801-H805 AromaticContact CD2-CD2 3.72Å; H801-H805 AromaticContact CE1-CD2 3.88Å; H801-H805 AromaticContact CE1-NE2 3.58Å; H801-H805 AromaticContact NE2-CD2 3.27Å; H801-H805 PolarHBondContact NE2-CD2 3.25Å; H801-H805 VanDerWaalsContact NE2-CD2 3.27Å; H801-H805 AromaticContact NE2-NE2 3.15Å; H801-H805 PolarHBondContact NE2-NE2 3.44Å; H801-H805 VanDerWaalsContact NE2-NE2 3.15Å; H801-H805 PolarHBondContact O-N 3.37Å
802	A	80.6	Confident	76.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.2	-38.4	170.9	0	0	0	0	0	110.8	F798 E799 K804 H805 L806 I853 M856	F798-A802 HydrophobicContact CD1-CB 4.4Å; F798-A802 HydrophobicContact CE1-CB 4.17Å; F798-A802 WeakPolarHBondContact O-CB 3.25Å; F798-A802 PolarHBondContact O-N 3.05Å; E799-A802 PolarHBondContact O-N 2.89Å; A802-K804 PolarHBondContact O-N 2.92Å; A802-H805 CarbonylContact O-C 3.4Å; A802-H805 WeakPolarHBondContact O-CA 3.48Å; A802-H805 WeakPolarHBondContact O-CB 3.46Å; A802-H805 PolarHBondContact O-N 3.2Å; A802-L806 WeakPolarHBondContact O-CG 3.34Å; A802-L806 PolarHBondContact O-N 3.48Å; A802-I853 HydrophobicContact CB-CG1 4.29Å; A802-M856 HydrophobicContact CB-CE 3.8Å; A802-M856 HydrophobicContact CB-SD 3.72Å
803	C	81.5	Confident	77.7	Confident	8 Å²	8	48.8 Å²	48.8	5%	0.054	26%	0.256	C	S	.	.	H	α-helix	trans	-57.3	-28.9	170.4	-67.2	0	0	0	0	113.4	E799 H801 D807 Y808 Y821	E799-C803 PolarHBondContact O-N 2.96Å; E799-C803 PolarHBondContact O-SG 3.46Å; H801-C803 PolarHBondContact O-N 3.47Å; C803-D807 CarbonylContact O-C 3.02Å; C803-D807 WeakPolarHBondContact O-CA 3.31Å; C803-D807 PolarHBondContact O-N 3.33Å; C803-D807 VanDerWaalsContact O-N 3.16Å; C803-Y808 PolarHBondContact O-N 3.38Å; C803-Y821 HydrophobicContact CB-CD1 4.12Å; C803-Y821 WeakPolarHBondContact O-CD1 3.24Å; C803-Y821 VanDerWaalsContact O-CE1 3.3Å; C803-Y821 WeakPolarHBondContact O-CE1 3.37Å
804	K	80.2	Confident	79	Confident	100 Å²	100	46.7 Å²	46.7	44%	0.435	24%	0.241	S	C	.	.	H	α-helix	trans	-76.5	-28.4	172.4	-54.2	172.7	-172.5	169.2	0	112.9	H801 A802 Y821	H801-K804 WeakPolarHBondContact O-CA 3.29Å; H801-K804 VanDerWaalsContact O-CB 3.25Å; H801-K804 WeakPolarHBondContact O-CB 3.44Å; H801-K804 PolarHBondContact O-N 3.28Å; A802-K804 PolarHBondContact O-N 2.92Å; K804-Y821 HydrophobicContact CB-CE1 4.47Å; K804-Y821 HydrophobicContact CG-CD1 4.27Å; K804-Y821 HydrophobicContact CG-CD2 4.47Å; K804-Y821 HydrophobicContact CG-CE1 4.42Å; K804-Y821 HydrophobicContact CG-CG 4.31Å
805	H	78.7	Confident	80.1	Confident	41 Å²	41	47.3 Å²	47.3	19%	0.19	24%	0.241	C	C	.	.	H	α-helix	trans	-77.5	-34.2	175.1	-83.5	-85.3	0	0	0	112.4	R749 L786 H801 A802 M856	R749-H805 PolarHBondContact NH2-CE1 2.97Å; R749-H805 PolarHBondContact NH2-ND1 3.28Å; L786-H805 VanDerWaalsContact C-CE1 3.45Å; L786-H805 WeakPolarHBondContact CB-CE1 3.05Å; L786-H805 WeakPolarHBondContact CB-ND1 3.43Å; L786-H805 HydrophobicContact CD1-CB 3.92Å; L786-H805 PolarHBondContact O-CE1 3.34Å; H801-H805 AromaticContact CD2-CD2 3.72Å; H801-H805 AromaticContact CE1-CD2 3.88Å; H801-H805 AromaticContact CE1-NE2 3.58Å; H801-H805 AromaticContact NE2-CD2 3.27Å; H801-H805 PolarHBondContact NE2-CD2 3.25Å; H801-H805 VanDerWaalsContact NE2-CD2 3.27Å; H801-H805 AromaticContact NE2-NE2 3.15Å; H801-H805 PolarHBondContact NE2-NE2 3.44Å; H801-H805 VanDerWaalsContact NE2-NE2 3.15Å; H801-H805 PolarHBondContact O-N 3.37Å; A802-H805 CarbonylContact O-C 3.4Å; A802-H805 WeakPolarHBondContact O-CA 3.48Å; A802-H805 WeakPolarHBondContact O-CB 3.46Å; A802-H805 PolarHBondContact O-N 3.2Å; H805-M856 HydrophobicContact CB-CE 4.13Å; H805-M856 HydrophobicContact CB-SD 4.22Å
806	L	78.9	Confident	81.3	Confident	53 Å²	53	46 Å²	46	28%	0.277	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	4.1	173.7	-58.9	169.5	0	0	0	112.6	A802 Y808 I849 R852 I853 M856	A802-L806 WeakPolarHBondContact O-CG 3.34Å; A802-L806 PolarHBondContact O-N 3.48Å; L806-Y808 PolarHBondContact O-N 3.27Å; L806-I849 HydrophobicContact CB-CD1 4.47Å; L806-I849 HydrophobicContact CD1-CD1 3.97Å; L806-I849 HydrophobicContact CD1-CG1 4.47Å; L806-R852 HydrophobicContact CD1-CB 4.16Å; L806-R852 HydrophobicContact CD2-CB 4.35Å; L806-I853 HydrophobicContact CD1-CG1 3.82Å; L806-M856 HydrophobicContact CG-SD 4.36Å
807	D	74.7	Confident	82	Confident	97 Å²	97	48.9 Å²	48.9	52%	0.519	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.1	18.1	-170.8	-124.5	-45.7	0	0	0	117.4	C803 K809 Y821	C803-D807 CarbonylContact O-C 3.02Å; C803-D807 WeakPolarHBondContact O-CA 3.31Å; C803-D807 PolarHBondContact O-N 3.33Å; C803-D807 VanDerWaalsContact O-N 3.16Å; D807-K809 PolarHBondContact O-NZ 3.46Å; D807-K809 IonicContact OD1-NZ 2.67Å; D807-K809 PolarHBondContact OD1-NZ 3.13Å; D807-Y821 PolarHBondContact OD1-OH 3.47Å
808	Y	82.1	Confident	82.8	Confident	34 Å²	34	50.9 Å²	50.9	13%	0.133	25%	0.249	C	C	.	.			trans	-84.3	118.2	-167.6	172.2	-111.1	0	0	0	112.3	C803 L806 P810 Y821 K844 P845 V846 I849	C803-Y808 PolarHBondContact O-N 3.38Å; L806-Y808 PolarHBondContact O-N 3.27Å; Y808-P810 HydrophobicContact CD1-CG 4.27Å; Y808-P810 HydrophobicContact CE1-CB 3.77Å; Y808-P810 HydrophobicContact CE1-CG 3.82Å; Y808-P810 WeakPolarHBondContact O-CD 3.49Å; Y808-Y821 WeakPolarHBondContact O-CD1 3.36Å; Y808-K844 PolarHBondContact OH-O 3.13Å; Y808-K844 VanDerWaalsContact OH-O 3.12Å; Y808-P845 WeakPolarHBondContact OH-CA 3.5Å; Y808-V846 HydrophobicContact CD2-CG2 4.5Å; Y808-V846 HydrophobicContact CE2-CB 3.82Å; Y808-V846 HydrophobicContact CE2-CG2 3.68Å; Y808-V846 PolarHBondContact OH-N 2.68Å; Y808-I849 HydrophobicContact CD1-CD1 4.32Å; Y808-I849 HydrophobicContact CD1-CG1 3.66Å; Y808-I849 HydrophobicContact CD2-CD1 4.44Å; Y808-I849 HydrophobicContact CD2-CG1 4.32Å; Y808-I849 HydrophobicContact CE1-CB 4.39Å; Y808-I849 HydrophobicContact CE1-CG1 3.76Å; Y808-I849 HydrophobicContact CE1-CG2 3.89Å; Y808-I849 HydrophobicContact CE2-CG1 4.43Å; Y808-I849 HydrophobicContact CG-CD1 4.12Å; Y808-I849 HydrophobicContact CG-CG1 3.94Å
809	K	86.4	Confident	83.1	Confident	62 Å²	62	54.7 Å²	54.7	27%	0.27	27%	0.267	S	S	.	.			trans	-113.2	78.4	-172.2	-64.5	167.6	-170.7	79.4	0	110.6	D807 Y811 H812 Q819 Y821	D807-K809 PolarHBondContact O-NZ 3.46Å; D807-K809 IonicContact OD1-NZ 2.67Å; D807-K809 PolarHBondContact OD1-NZ 3.13Å; K809-Y811 PolarHBondContact O-N 3.29Å; K809-Y811 VanDerWaalsContact O-N 3.14Å; K809-H812 PolarHBondContact O-CE1 3.27Å; K809-H812 PolarHBondContact O-ND1 3.38Å; K809-Q819 HydrophobicContact CB-CB 4Å; K809-Q819 HydrophobicContact CD-CB 4.16Å; K809-Y821 WeakPolarHBondContact CE-OH 3.32Å; K809-Y821 HydrophobicContact CG-CD1 3.9Å; K809-Y821 HydrophobicContact CG-CD2 4.41Å; K809-Y821 HydrophobicContact CG-CE1 3.68Å; K809-Y821 HydrophobicContact CG-CE2 4.22Å; K809-Y821 HydrophobicContact CG-CG 4.26Å; K809-Y821 PolarHBondContact NZ-OH 3.45Å
810	P	79.5	Confident	83.9	Confident	8 Å²	8	52 Å²	52	5%	0.052	26%	0.256	C	S	.	.			trans	-61.4	-26.3	-171.5	19.8	-31.7	0	0	0	114.7	Y808 H812 H843 K844	Y808-P810 HydrophobicContact CD1-CG 4.27Å; Y808-P810 HydrophobicContact CE1-CB 3.77Å; Y808-P810 HydrophobicContact CE1-CG 3.82Å; Y808-P810 WeakPolarHBondContact O-CD 3.49Å; P810-H812 PolarHBondContact O-ND1 2.79Å; P810-H843 WeakPolarHBondContact O-CA 3.36Å; P810-K844 PolarHBondContact O-N 3.04Å
811	Y	90.3	Very high	84.4	Confident	53 Å²	53	51.3 Å²	51.3	21%	0.208	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.5	-177.1	-52.9	-76.4	0	0	0	111.7	K809 Q819 S820 Y821 R823 V826 I841 H843	K809-Y811 PolarHBondContact O-N 3.29Å; K809-Y811 VanDerWaalsContact O-N 3.14Å; Y811-Q819 CarbonylContact O-C 3.52Å; Y811-Q819 WeakPolarHBondContact O-CA 3.49Å; Y811-S820 WeakPolarHBondContact CB-O 3.44Å; Y811-S820 PolarHBondContact N-O 3.16Å; Y811-S820 PolarHBondContact O-N 2.85Å; Y811-Y821 WeakPolarHBondContact CE2-O 3.29Å; Y811-R823 HydrophobicContact CD1-CB 3.73Å; Y811-R823 HydrophobicContact CD1-CG 3.85Å; Y811-R823 HydrophobicContact CD2-CB 4.01Å; Y811-R823 VanDerWaalsContact CD2-N 3.26Å; Y811-R823 HydrophobicContact CE1-CB 3.74Å; Y811-R823 HydrophobicContact CE1-CG 3.98Å; Y811-R823 HydrophobicContact CE2-CB 4.02Å; Y811-R823 HydrophobicContact CG-CB 3.87Å; Y811-R823 HydrophobicContact CG-CG 4.35Å; Y811-V826 WeakPolarHBondContact O-CG2 3.45Å; Y811-I841 HydrophobicContact CD1-CG2 4.23Å; Y811-H843 HydrophobicContact CD1-CB 4.45Å; Y811-H843 AromaticContact CD1-CD2 3.71Å; Y811-H843 AromaticContact CE1-CD2 3.38Å; Y811-H843 WeakPolarHBondContact CE1-CD2 3.48Å; Y811-H843 AromaticContact CZ-CD2 3.93Å
812	H	86	Confident	84.5	Confident	39 Å²	39	54.1 Å²	54.1	18%	0.181	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.7	-179.5	-58.5	52.6	0	0	0	110	K809 P810 Q819 I842	K809-H812 PolarHBondContact O-CE1 3.27Å; K809-H812 PolarHBondContact O-ND1 3.38Å; P810-H812 PolarHBondContact O-ND1 2.79Å; H812-Q819 HydrophobicContact CB-CG 4.34Å; H812-Q819 PolarHBondContact CD2-NE2 3.47Å; H812-I842 HydrophobicContact CB-CB 4.24Å; H812-I842 PolarHBondContact N-O 3.18Å; H812-I842 PolarHBondContact O-N 3Å
813	C	87	Confident	84.6	Confident	7 Å²	7	60.3 Å²	60.3	5%	0.047	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	140.8	167.9	-177.7	0	0	0	0	109.3	Y815 C816 Y818 V826 H829 I830	C813-Y815 PolarHBondContact SG-N 3.44Å; C813-C816 WeakPolarHBondContact CB-O 3.28Å; C813-Y818 WeakPolarHBondContact CB-O 3.12Å; C813-Y818 PolarHBondContact N-O 2.86Å; C813-V826 HydrophobicContact CB-CG1 3.93Å; C813-H829 VanDerWaalsContact SG-CD2 3.57Å; C813-H829 PolarHBondContact SG-NE2 3.39Å; C813-I830 VanDerWaalsContact SG-CG1 3.53Å
814	H	86.6	Confident	84.8	Confident	95 Å²	95	61.8 Å²	61.8	44%	0.44	30%	0.303	S	S	.	.	S	Bend	trans	-79.1	-21.8	173.6	-170	-58.5	0	0	0	112.5	K840 I842	H814-K840 HydrophobicContact CB-CB 3.65Å; H814-K840 VanDerWaalsContact CB-O 3.26Å; H814-K840 WeakPolarHBondContact CB-O 3.3Å; H814-K840 PolarHBondContact N-O 2.83Å; H814-I842 HydrophobicContact CB-CD1 4.42Å; H814-I842 HydrophobicContact CB-CG1 4.25Å
815	Y	85	Confident	85.2	Confident	63 Å²	63	60.7 Å²	60.7	25%	0.247	30%	0.299	C	S	.	.	S	Bend	trans	-105.8	-6.9	-170.5	-54.6	-63.4	0	0	0	114.7	C813 I830 H834 L837 P838	C813-Y815 PolarHBondContact SG-N 3.44Å; Y815-I830 HydrophobicContact CD2-CG1 4.44Å; Y815-I830 HydrophobicContact CD2-CG2 4.15Å; Y815-I830 HydrophobicContact CE2-CG2 4.22Å; Y815-H834 WeakPolarHBondContact CB-ND1 3.31Å; Y815-H834 HydrophobicContact CD2-CB 4.25Å; Y815-H834 PolarHBondContact O-CE1 3.07Å; Y815-H834 VanDerWaalsContact O-CE1 3.24Å; Y815-L837 HydrophobicContact CD1-CD1 3.86Å; Y815-L837 HydrophobicContact CD2-CB 4.3Å; Y815-L837 HydrophobicContact CD2-CD1 4.36Å; Y815-L837 HydrophobicContact CE1-CB 4.43Å; Y815-L837 HydrophobicContact CE1-CD1 4.1Å; Y815-L837 HydrophobicContact CE2-CB 3.89Å; Y815-L837 HydrophobicContact CG-CD1 4.01Å; Y815-P838 WeakPolarHBondContact CE2-O 3.43Å; Y815-P838 PolarHBondContact OH-O 3.39Å
816	C	88.7	Confident	85.6	Confident	48 Å²	48	58.8 Å²	58.8	32%	0.324	29%	0.29	S	S	.	.	S	Bend	trans	-162.4	-178.8	167.9	78	0	0	0	0	111.1	C813 Y818 H829 H834	C813-C816 WeakPolarHBondContact CB-O 3.28Å; C816-Y818 PolarHBondContact O-N 3.09Å; C816-H829 PolarHBondContact SG-CE1 2.83Å; C816-H829 PolarHBondContact SG-NE2 3.41Å; C816-H834 PolarHBondContact SG-NE2 2.99Å
817	T	86.9	Confident	86	Confident	136 Å²	136	57.8 Å²	57.8	83%	0.834	29%	0.286	S	S	*	.	S	Bend	trans	-70.3	7.1	-177.9	53.2	0	0	0	0	115.8	Q819	T817-Q819 PolarHBondContact O-N 3.08Å
818	Y	92.1	Very high	86.5	Confident	81 Å²	81	55.8 Å²	55.8	32%	0.318	27%	0.271	S	S	.	.			trans	-68.6	128.4	-179.7	-175.4	-89.2	0	0	0	112.6	C813 C816 V826 H829	C813-Y818 WeakPolarHBondContact CB-O 3.12Å; C813-Y818 PolarHBondContact N-O 2.86Å; C816-Y818 PolarHBondContact O-N 3.09Å; Y818-V826 HydrophobicContact CD1-CG2 4.24Å; Y818-V826 HydrophobicContact CE1-CG2 4.19Å; Y818-H829 HydrophobicContact CD1-CB 3.57Å; Y818-H829 AromaticContact CD1-CD2 3.82Å; Y818-H829 AromaticContact CD1-CG 3.48Å; Y818-H829 VanDerWaalsContact CD1-CG 3.48Å; Y818-H829 HydrophobicContact CD2-CB 4.37Å; Y818-H829 AromaticContact CD2-CG 3.91Å; Y818-H829 AromaticContact CD2-ND1 3.64Å; Y818-H829 HydrophobicContact CE1-CB 3.62Å; Y818-H829 HydrophobicContact CE2-CB 4.41Å; Y818-H829 HydrophobicContact CG-CB 3.97Å; Y818-H829 AromaticContact CG-CD2 3.76Å; Y818-H829 AromaticContact CG-CG 3.41Å; Y818-H829 VanDerWaalsContact CG-CG 3.41Å; Y818-H829 AromaticContact CG-ND1 3.55Å
819	Q	85.9	Confident	87	Confident	88 Å²	88	55.6 Å²	55.6	41%	0.411	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.5	-179.2	-59.1	176.1	8.8	0	0	111.9	K809 Y811 H812 T817	K809-Q819 HydrophobicContact CB-CB 4Å; K809-Q819 HydrophobicContact CD-CB 4.16Å; Y811-Q819 CarbonylContact O-C 3.52Å; Y811-Q819 WeakPolarHBondContact O-CA 3.49Å; H812-Q819 HydrophobicContact CB-CG 4.34Å; H812-Q819 PolarHBondContact CD2-NE2 3.47Å; T817-Q819 PolarHBondContact O-N 3.08Å
820	S	93	Very high	87.1	Confident	7 Å²	7	52.7 Å²	52.7	5%	0.049	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	151.6	175	-116.7	0	0	0	0	115	Y811 I822 K825	Y811-S820 WeakPolarHBondContact CB-O 3.44Å; Y811-S820 PolarHBondContact N-O 3.16Å; Y811-S820 PolarHBondContact O-N 2.85Å; S820-I822 PolarHBondContact O-N 3.06Å; S820-K825 WeakPolarHBondContact OG-CB 3.21Å; S820-K825 WeakPolarHBondContact OG-CD 3.14Å
821	Y	86.4	Confident	87.3	Confident	46 Å²	46	56.1 Å²	56.1	18%	0.18	27%	0.274	C	S	.	.	S	Bend	trans	-62.5	-27.6	168	-39.4	-90.4	0	0	0	112.6	N800 C803 K804 D807 Y808 K809 Y811	N800-Y821 PolarHBondContact OD1-O 3.42Å; C803-Y821 HydrophobicContact CB-CD1 4.12Å; C803-Y821 WeakPolarHBondContact O-CD1 3.24Å; C803-Y821 VanDerWaalsContact O-CE1 3.3Å; C803-Y821 WeakPolarHBondContact O-CE1 3.37Å; K804-Y821 HydrophobicContact CB-CE1 4.47Å; K804-Y821 HydrophobicContact CG-CD1 4.27Å; K804-Y821 HydrophobicContact CG-CD2 4.47Å; K804-Y821 HydrophobicContact CG-CE1 4.42Å; K804-Y821 HydrophobicContact CG-CG 4.31Å; D807-Y821 PolarHBondContact OD1-OH 3.47Å; Y808-Y821 WeakPolarHBondContact O-CD1 3.36Å; K809-Y821 WeakPolarHBondContact CE-OH 3.32Å; K809-Y821 HydrophobicContact CG-CD1 3.9Å; K809-Y821 HydrophobicContact CG-CD2 4.41Å; K809-Y821 HydrophobicContact CG-CE1 3.68Å; K809-Y821 HydrophobicContact CG-CE2 4.22Å; K809-Y821 HydrophobicContact CG-CG 4.26Å; K809-Y821 PolarHBondContact NZ-OH 3.45Å; Y811-Y821 WeakPolarHBondContact CE2-O 3.29Å
822	I	83.5	Confident	87.2	Confident	71 Å²	71	59.1 Å²	59.1	36%	0.364	29%	0.29	S	S	.	.	S	Bend	trans	-118.7	119.1	-173.6	-56.1	172	0	0	0	109.8	S820 G824 K825	S820-I822 PolarHBondContact O-N 3.06Å; I822-G824 VanDerWaalsContact C-N 3.31Å; I822-G824 PolarHBondContact O-N 3.07Å; I822-K825 HydrophobicContact CB-CD 4.5Å; I822-K825 HydrophobicContact CB-CG 4.38Å; I822-K825 WeakPolarHBondContact O-CB 3.38Å; I822-K825 PolarHBondContact O-N 3.45Å
823	R	83.7	Confident	87	Confident	129 Å²	129	61.2 Å²	61.2	49%	0.487	31%	0.306	S	S	.	.	H	α-helix	trans	-46.8	-48.5	-178.7	-172.5	175.2	170.4	90.5	-3.5	113.3	Y811 K825 V826 T827 I841	Y811-R823 HydrophobicContact CD1-CB 3.73Å; Y811-R823 HydrophobicContact CD1-CG 3.85Å; Y811-R823 HydrophobicContact CD2-CB 4.01Å; Y811-R823 VanDerWaalsContact CD2-N 3.26Å; Y811-R823 HydrophobicContact CE1-CB 3.74Å; Y811-R823 HydrophobicContact CE1-CG 3.98Å; Y811-R823 HydrophobicContact CE2-CB 4.02Å; Y811-R823 HydrophobicContact CG-CB 3.87Å; Y811-R823 HydrophobicContact CG-CG 4.35Å; R823-K825 PolarHBondContact O-N 3.22Å; R823-K825 VanDerWaalsContact O-N 3.15Å; R823-V826 WeakPolarHBondContact O-CB 3.46Å; R823-V826 PolarHBondContact O-N 2.89Å; R823-T827 PolarHBondContact O-N 3.23Å; R823-T827 VanDerWaalsContact O-N 3.12Å; R823-T827 PolarHBondContact O-OG1 2.91Å; R823-I841 HydrophobicContact CG-CD1 3.95Å
824	G	85	Confident	86.8	Confident	39 Å²	39	62.5 Å²	62.5	40%	0.402	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-21.8	-179.2	0	0	0	0	0	115.5	I822 R828	I822-G824 VanDerWaalsContact C-N 3.31Å; I822-G824 PolarHBondContact O-N 3.07Å; G824-R828 WeakPolarHBondContact O-CB 3.25Å; G824-R828 PolarHBondContact O-N 3.03Å
825	K	88.7	Confident	86.4	Confident	78 Å²	78	62.6 Å²	62.6	34%	0.339	32%	0.322	S	S	.	.	H	α-helix	trans	-70.4	-37.4	171.3	-74	-175.8	173.2	-175.7	0	111.6	S820 I822 R823 R828 H829	S820-K825 WeakPolarHBondContact OG-CB 3.21Å; S820-K825 WeakPolarHBondContact OG-CD 3.14Å; I822-K825 HydrophobicContact CB-CD 4.5Å; I822-K825 HydrophobicContact CB-CG 4.38Å; I822-K825 WeakPolarHBondContact O-CB 3.38Å; I822-K825 PolarHBondContact O-N 3.45Å; R823-K825 PolarHBondContact O-N 3.22Å; R823-K825 VanDerWaalsContact O-N 3.15Å; K825-R828 PolarHBondContact O-N 3.5Å; K825-H829 WeakPolarHBondContact O-CB 3.47Å; K825-H829 PolarHBondContact O-N 3.26Å
826	V	87.5	Confident	86	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-69.8	-43.8	175.4	-173.2	0	0	0	0	110.6	Y811 C813 Y818 R823 R828 H829 I830 I841	Y811-V826 WeakPolarHBondContact O-CG2 3.45Å; C813-V826 HydrophobicContact CB-CG1 3.93Å; Y818-V826 HydrophobicContact CD1-CG2 4.24Å; Y818-V826 HydrophobicContact CE1-CG2 4.19Å; R823-V826 WeakPolarHBondContact O-CB 3.46Å; R823-V826 PolarHBondContact O-N 2.89Å; V826-R828 VanDerWaalsContact C-N 3.31Å; V826-R828 PolarHBondContact O-N 3.1Å; V826-H829 WeakPolarHBondContact O-CB 3.1Å; V826-H829 PolarHBondContact O-N 2.71Å; V826-I830 HydrophobicContact CG1-CD1 4.05Å; V826-I830 WeakPolarHBondContact O-CG1 3.28Å; V826-I830 PolarHBondContact O-N 3.01Å; V826-I841 HydrophobicContact CB-CD1 4.46Å; V826-I841 HydrophobicContact CB-CG1 4.49Å; V826-I841 HydrophobicContact CB-CG2 4.37Å; V826-I841 HydrophobicContact CG1-CG1 4.09Å; V826-I841 HydrophobicContact CG1-CG2 4.14Å
827	T	86.2	Confident	85.5	Confident	33 Å²	33	65.5 Å²	65.5	20%	0.202	36%	0.358	C	S	.	.	H	α-helix	trans	-49.9	-52.3	170.9	-50.8	0	0	0	0	111.3	R823 I830 Q831 V839 I841	R823-T827 PolarHBondContact O-N 3.23Å; R823-T827 VanDerWaalsContact O-N 3.12Å; R823-T827 PolarHBondContact O-OG1 2.91Å; T827-I830 PolarHBondContact O-N 3.16Å; T827-Q831 WeakPolarHBondContact O-CG 3.13Å; T827-Q831 PolarHBondContact O-N 2.85Å; T827-V839 HydrophobicContact CG2-CG1 4.2Å; T827-I841 VanDerWaalsContact OG1-CD1 3.3Å; T827-I841 WeakPolarHBondContact OG1-CD1 3.39Å
828	R	86.8	Confident	84.9	Confident	54 Å²	54	63.2 Å²	63.2	20%	0.204	35%	0.345	C	S	.	.	H	α-helix	trans	-67.7	-36.6	-178.4	-175.9	169.4	78	-147.3	9.7	112.8	S509 G824 K825 V826 Q831 Q832	S509-R828 PolarHBondContact OG-NH1 3.12Å; G824-R828 WeakPolarHBondContact O-CB 3.25Å; G824-R828 PolarHBondContact O-N 3.03Å; K825-R828 PolarHBondContact O-N 3.5Å; V826-R828 VanDerWaalsContact C-N 3.31Å; V826-R828 PolarHBondContact O-N 3.1Å; R828-Q831 PolarHBondContact O-N 3.08Å; R828-Q832 HydrophobicContact CG-CG 4.43Å; R828-Q832 VanDerWaalsContact CG-OE1 3.29Å; R828-Q832 WeakPolarHBondContact O-CB 3.33Å; R828-Q832 VanDerWaalsContact O-CG 3.27Å; R828-Q832 WeakPolarHBondContact O-CG 3.42Å; R828-Q832 PolarHBondContact O-N 3.5Å; R828-Q832 VanDerWaalsContact O-N 3.09Å
829	H	91.4	Very high	84.4	Confident	31 Å²	31	62.6 Å²	62.6	14%	0.144	35%	0.35	C	S	.	.	H	α-helix	trans	-60	-49.7	171.7	162.5	78.8	0	0	0	111.2	C813 C816 Y818 K825 V826 Q831 Q832 V833 H834	C813-H829 VanDerWaalsContact SG-CD2 3.57Å; C813-H829 PolarHBondContact SG-NE2 3.39Å; C816-H829 PolarHBondContact SG-CE1 2.83Å; C816-H829 PolarHBondContact SG-NE2 3.41Å; Y818-H829 HydrophobicContact CD1-CB 3.57Å; Y818-H829 AromaticContact CD1-CD2 3.82Å; Y818-H829 AromaticContact CD1-CG 3.48Å; Y818-H829 VanDerWaalsContact CD1-CG 3.48Å; Y818-H829 HydrophobicContact CD2-CB 4.37Å; Y818-H829 AromaticContact CD2-CG 3.91Å; Y818-H829 AromaticContact CD2-ND1 3.64Å; Y818-H829 HydrophobicContact CE1-CB 3.62Å; Y818-H829 HydrophobicContact CE2-CB 4.41Å; Y818-H829 HydrophobicContact CG-CB 3.97Å; Y818-H829 AromaticContact CG-CD2 3.76Å; Y818-H829 AromaticContact CG-CG 3.41Å; Y818-H829 VanDerWaalsContact CG-CG 3.41Å; Y818-H829 AromaticContact CG-ND1 3.55Å; K825-H829 WeakPolarHBondContact O-CB 3.47Å; K825-H829 PolarHBondContact O-N 3.26Å; V826-H829 WeakPolarHBondContact O-CB 3.1Å; V826-H829 PolarHBondContact O-N 2.71Å; H829-Q831 VanDerWaalsContact C-N 3.3Å; H829-Q831 PolarHBondContact O-N 2.96Å; H829-Q832 PolarHBondContact O-N 3.35Å; H829-V833 WeakPolarHBondContact CE1-CB 3.43Å; H829-V833 WeakPolarHBondContact CE1-CG1 3.41Å; H829-V833 WeakPolarHBondContact CE1-CG2 3.06Å; H829-V833 WeakPolarHBondContact O-CB 3.15Å; H829-V833 PolarHBondContact O-N 2.85Å; H829-H834 AromaticContact CE1-NE2 3.95Å; H829-H834 AromaticContact NE2-CD2 2.74Å; H829-H834 PolarHBondContact NE2-CD2 2.87Å; H829-H834 AromaticContact NE2-CE1 3.7Å; H829-H834 AromaticContact NE2-NE2 2.39Å; H829-H834 PolarHBondContact NE2-NE2 3Å
830	I	88	Confident	84	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-56.4	-47.1	177.5	-67.3	163.6	0	0	0	110.2	C813 Y815 V826 T827 Q832 H834 S835 V839 K840 I841	C813-I830 VanDerWaalsContact SG-CG1 3.53Å; Y815-I830 HydrophobicContact CD2-CG1 4.44Å; Y815-I830 HydrophobicContact CD2-CG2 4.15Å; Y815-I830 HydrophobicContact CE2-CG2 4.22Å; V826-I830 HydrophobicContact CG1-CD1 4.05Å; V826-I830 WeakPolarHBondContact O-CG1 3.28Å; V826-I830 PolarHBondContact O-N 3.01Å; T827-I830 PolarHBondContact O-N 3.16Å; I830-Q832 VanDerWaalsContact C-N 3.25Å; I830-Q832 PolarHBondContact O-N 3.1Å; I830-H834 HydrophobicContact CG2-CB 4.24Å; I830-H834 CarbonylContact O-C 3.36Å; I830-H834 WeakPolarHBondContact O-CA 3.35Å; I830-H834 WeakPolarHBondContact O-CB 3.38Å; I830-H834 PolarHBondContact O-N 3.28Å; I830-S835 PolarHBondContact O-N 3.4Å; I830-V839 HydrophobicContact CD1-CG1 3.89Å; I830-V839 HydrophobicContact CG2-CB 4.5Å; I830-V839 HydrophobicContact CG2-CG1 4.44Å; I830-V839 HydrophobicContact CG2-CG2 4.1Å; I830-K840 VanDerWaalsContact CD1-O 3.23Å; I830-K840 WeakPolarHBondContact CD1-O 3.39Å; I830-I841 HydrophobicContact CD1-CG1 3.92Å
831	Q	84.5	Confident	83.7	Confident	81 Å²	81	64.9 Å²	64.9	38%	0.379	36%	0.359	S	S	.	.	H	α-helix	trans	-67.1	-18.2	178.4	-69.1	168.9	-20	0	0	115.1	T827 R828 H829 V839	T827-Q831 WeakPolarHBondContact O-CG 3.13Å; T827-Q831 PolarHBondContact O-N 2.85Å; R828-Q831 PolarHBondContact O-N 3.08Å; H829-Q831 VanDerWaalsContact C-N 3.3Å; H829-Q831 PolarHBondContact O-N 2.96Å; Q831-V839 HydrophobicContact CG-CG2 4.41Å
832	Q	87.9	Confident	83.4	Confident	115 Å²	115	65.8 Å²	65.8	54%	0.537	37%	0.366	S	S	.	.	H	α-helix	trans	-107.3	-17.4	-178	-69.1	-169.1	-81.9	0	0	114.3	R828 H829 I830	R828-Q832 HydrophobicContact CG-CG 4.43Å; R828-Q832 VanDerWaalsContact CG-OE1 3.29Å; R828-Q832 WeakPolarHBondContact O-CB 3.33Å; R828-Q832 VanDerWaalsContact O-CG 3.27Å; R828-Q832 WeakPolarHBondContact O-CG 3.42Å; R828-Q832 PolarHBondContact O-N 3.5Å; R828-Q832 VanDerWaalsContact O-N 3.09Å; H829-Q832 PolarHBondContact O-N 3.35Å; I830-Q832 VanDerWaalsContact C-N 3.25Å; I830-Q832 PolarHBondContact O-N 3.1Å
833	V	81.4	Confident	83.4	Confident	84 Å²	84	66.8 Å²	66.8	51%	0.509	37%	0.369	S	S	.	.	H	α-helix	trans	-122.5	-25.3	-176.7	-177.5	0	0	0	0	112.2	H829	H829-V833 WeakPolarHBondContact CE1-CB 3.43Å; H829-V833 WeakPolarHBondContact CE1-CG1 3.41Å; H829-V833 WeakPolarHBondContact CE1-CG2 3.06Å; H829-V833 WeakPolarHBondContact O-CB 3.15Å; H829-V833 PolarHBondContact O-N 2.85Å
834	H	84.3	Confident	83	Confident	33 Å²	33	66.7 Å²	66.7	15%	0.153	37%	0.372	C	S	.	.	S	Bend	trans	-124.5	38.4	178.7	-55	-75.5	0	0	0	110.3	Y815 C816 H829 I830 G836 L837	Y815-H834 WeakPolarHBondContact CB-ND1 3.31Å; Y815-H834 HydrophobicContact CD2-CB 4.25Å; Y815-H834 PolarHBondContact O-CE1 3.07Å; Y815-H834 VanDerWaalsContact O-CE1 3.24Å; C816-H834 PolarHBondContact SG-NE2 2.99Å; H829-H834 AromaticContact CE1-NE2 3.95Å; H829-H834 AromaticContact NE2-CD2 2.74Å; H829-H834 PolarHBondContact NE2-CD2 2.87Å; H829-H834 AromaticContact NE2-CE1 3.7Å; H829-H834 AromaticContact NE2-NE2 2.39Å; H829-H834 PolarHBondContact NE2-NE2 3Å; I830-H834 HydrophobicContact CG2-CB 4.24Å; I830-H834 CarbonylContact O-C 3.36Å; I830-H834 WeakPolarHBondContact O-CA 3.35Å; I830-H834 WeakPolarHBondContact O-CB 3.38Å; I830-H834 PolarHBondContact O-N 3.28Å; H834-G836 PolarHBondContact O-N 3.37Å; H834-L837 HydrophobicContact CB-CB 4.48Å; H834-L837 HydrophobicContact CB-CD1 4.28Å; H834-L837 PolarHBondContact O-N 2.78Å
835	S	77.4	Confident	82.4	Confident	97 Å²	97	68.9 Å²	68.9	68%	0.678	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	119.8	-178.3	51.1	0	0	0	0	111.1	I830	I830-S835 PolarHBondContact O-N 3.4Å
836	G	77.5	Confident	81.5	Confident	84 Å²	84	68.9 Å²	68.9	87%	0.866	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.2	-22	-174.2	0	0	0	0	0	113.8	H834	H834-G836 PolarHBondContact O-N 3.37Å
837	L	77.1	Confident	80.4	Confident	89 Å²	89	74.7 Å²	74.7	47%	0.466	42%	0.423	S	S	.	.	S	Bend	trans	-87.8	142.2	176.4	-60.3	-175.2	0	0	0	112.1	Y815 H834	Y815-L837 HydrophobicContact CD1-CD1 3.86Å; Y815-L837 HydrophobicContact CD2-CB 4.3Å; Y815-L837 HydrophobicContact CD2-CD1 4.36Å; Y815-L837 HydrophobicContact CE1-CB 4.43Å; Y815-L837 HydrophobicContact CE1-CD1 4.1Å; Y815-L837 HydrophobicContact CE2-CB 3.89Å; Y815-L837 HydrophobicContact CG-CD1 4.01Å; H834-L837 HydrophobicContact CB-CB 4.48Å; H834-L837 HydrophobicContact CB-CD1 4.28Å; H834-L837 PolarHBondContact O-N 2.78Å
838	P	74.6	Confident	79.7	Confident	87 Å²	87	75.1 Å²	75.1	57%	0.565	43%	0.434	S	S	*	.			trans	-67.6	137.2	-177.1	26.5	-33.6	0	0	0	111.3	Y815 K840	Y815-P838 WeakPolarHBondContact CE2-O 3.43Å; Y815-P838 PolarHBondContact OH-O 3.39Å; P838-K840 PolarHBondContact O-N 3.46Å
839	V	80.7	Confident	79.1	Confident	68 Å²	68	73.7 Å²	73.7	41%	0.412	43%	0.43	S	S	.	.			trans	-72.4	87.4	-167.9	-174.1	0	0	0	0	112.8	T827 I830 Q831 I841	T827-V839 HydrophobicContact CG2-CG1 4.2Å; I830-V839 HydrophobicContact CD1-CG1 3.89Å; I830-V839 HydrophobicContact CG2-CB 4.5Å; I830-V839 HydrophobicContact CG2-CG1 4.44Å; I830-V839 HydrophobicContact CG2-CG2 4.1Å; Q831-V839 HydrophobicContact CG-CG2 4.41Å; V839-I841 HydrophobicContact CG1-CD1 4.1Å; V839-I841 HydrophobicContact CG1-CG1 4.08Å
840	K	78.7	Confident	78.1	Confident	116 Å²	116	79.3 Å²	79.3	50%	0.504	45%	0.454	S	S	.	.			trans	-92.7	124.1	169.4	-66.2	-177.5	179.3	-178.6	0	110.1	H814 I830 P838	H814-K840 HydrophobicContact CB-CB 3.65Å; H814-K840 VanDerWaalsContact CB-O 3.26Å; H814-K840 WeakPolarHBondContact CB-O 3.3Å; H814-K840 PolarHBondContact N-O 2.83Å; I830-K840 VanDerWaalsContact CD1-O 3.23Å; I830-K840 WeakPolarHBondContact CD1-O 3.39Å; P838-K840 PolarHBondContact O-N 3.46Å
841	I	85.5	Confident	77.4	Confident	27 Å²	27	84.2 Å²	84.2	14%	0.138	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.9	178.1	-60	172.3	0	0	0	107.8	Y811 R823 V826 T827 I830 V839	Y811-I841 HydrophobicContact CD1-CG2 4.23Å; R823-I841 HydrophobicContact CG-CD1 3.95Å; V826-I841 HydrophobicContact CB-CD1 4.46Å; V826-I841 HydrophobicContact CB-CG1 4.49Å; V826-I841 HydrophobicContact CB-CG2 4.37Å; V826-I841 HydrophobicContact CG1-CG1 4.09Å; V826-I841 HydrophobicContact CG1-CG2 4.14Å; T827-I841 VanDerWaalsContact OG1-CD1 3.3Å; T827-I841 WeakPolarHBondContact OG1-CD1 3.39Å; I830-I841 HydrophobicContact CD1-CG1 3.92Å; V839-I841 HydrophobicContact CG1-CD1 4.1Å; V839-I841 HydrophobicContact CG1-CG1 4.08Å
842	I	81.3	Confident	76.9	Confident	66 Å²	66	88.5 Å²	88.5	34%	0.338	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.2	176.2	-50.4	172.6	0	0	0	107.5	H812 H814 K844	H812-I842 HydrophobicContact CB-CB 4.24Å; H812-I842 PolarHBondContact N-O 3.18Å; H812-I842 PolarHBondContact O-N 3Å; H814-I842 HydrophobicContact CB-CD1 4.42Å; H814-I842 HydrophobicContact CB-CG1 4.25Å; I842-K844 HydrophobicContact CG2-CG 3.91Å
843	H	82.4	Confident	76.3	Confident	91 Å²	91	83.2 Å²	83.2	42%	0.421	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	114.2	170.2	-179	-116.3	0	0	0	107.9	P810 Y811 P845	P810-H843 WeakPolarHBondContact O-CA 3.36Å; Y811-H843 HydrophobicContact CD1-CB 4.45Å; Y811-H843 AromaticContact CD1-CD2 3.71Å; Y811-H843 AromaticContact CE1-CD2 3.38Å; Y811-H843 WeakPolarHBondContact CE1-CD2 3.48Å; Y811-H843 AromaticContact CZ-CD2 3.93Å; H843-P845 WeakPolarHBondContact O-CD 3.38Å
844	K	76.1	Confident	75.8	Confident	127 Å²	127	82.7 Å²	82.7	55%	0.552	46%	0.462	S	S	*	.			trans	-107.4	89.7	176.9	-70.1	-164.1	174.8	-170.5	0	109.7	Y808 P810 I842 V846	Y808-K844 PolarHBondContact OH-O 3.13Å; Y808-K844 VanDerWaalsContact OH-O 3.12Å; P810-K844 PolarHBondContact O-N 3.04Å; I842-K844 HydrophobicContact CG2-CG 3.91Å; K844-V846 PolarHBondContact O-N 3.11Å
845	P	72	Confident	75.1	Confident	85 Å²	85	84 Å²	84	55%	0.552	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-71.8	116.2	174.2	29.2	-32.4	0	0	0	110.4	Y808 H843	Y808-P845 WeakPolarHBondContact OH-CA 3.5Å; H843-P845 WeakPolarHBondContact O-CD 3.38Å
846	V	71	Confident	74.4	Confident	79 Å²	79	80.2 Å²	80.2	48%	0.479	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-77.4	126	170	169.4	0	0	0	0	109.2	Y808 K844 I849	Y808-V846 HydrophobicContact CD2-CG2 4.5Å; Y808-V846 HydrophobicContact CE2-CB 3.82Å; Y808-V846 HydrophobicContact CE2-CG2 3.68Å; Y808-V846 PolarHBondContact OH-N 2.68Å; K844-V846 PolarHBondContact O-N 3.11Å; V846-I849 WeakPolarHBondContact O-CB 3.14Å; V846-I849 WeakPolarHBondContact O-CG2 3.08Å; V846-I849 PolarHBondContact O-N 3.28Å
847	P	62.9	Low	73.7	Confident	122 Å²	122	78.7 Å²	78.7	79%	0.792	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	149.7	174.1	-26.2	35.9	0	0	0	112.5	I849	P847-I849 PolarHBondContact O-N 2.85Å; P847-I849 VanDerWaalsContact O-N 3.11Å
848	G	72.9	Confident	72.9	Confident	41 Å²	41	81.8 Å²	81.8	42%	0.423	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	-12	-178.4	0	0	0	0	0	115.9	K850 D851 R852	G848-K850 VanDerWaalsContact C-N 3.29Å; G848-K850 PolarHBondContact O-N 3.02Å; G848-D851 WeakPolarHBondContact CA-OD2 3.38Å; G848-D851 PolarHBondContact O-N 2.88Å; G848-D851 VanDerWaalsContact O-N 3.16Å; G848-R852 PolarHBondContact O-N 2.76Å
849	I	73.7	Confident	72	Confident	25 Å²	25	87.4 Å²	87.4	13%	0.128	44%	0.436	C	S	.	.	H	α-helix	trans	-67.1	-31.7	-178.5	-157.1	65.2	0	0	0	112.4	L806 Y808 V846 P847 D851 R852 I853	L806-I849 HydrophobicContact CB-CD1 4.47Å; L806-I849 HydrophobicContact CD1-CD1 3.97Å; L806-I849 HydrophobicContact CD1-CG1 4.47Å; Y808-I849 HydrophobicContact CD1-CD1 4.32Å; Y808-I849 HydrophobicContact CD1-CG1 3.66Å; Y808-I849 HydrophobicContact CD2-CD1 4.44Å; Y808-I849 HydrophobicContact CD2-CG1 4.32Å; Y808-I849 HydrophobicContact CE1-CB 4.39Å; Y808-I849 HydrophobicContact CE1-CG1 3.76Å; Y808-I849 HydrophobicContact CE1-CG2 3.89Å; Y808-I849 HydrophobicContact CE2-CG1 4.43Å; Y808-I849 HydrophobicContact CG-CD1 4.12Å; Y808-I849 HydrophobicContact CG-CG1 3.94Å; V846-I849 WeakPolarHBondContact O-CB 3.14Å; V846-I849 WeakPolarHBondContact O-CG2 3.08Å; V846-I849 PolarHBondContact O-N 3.28Å; P847-I849 PolarHBondContact O-N 2.85Å; P847-I849 VanDerWaalsContact O-N 3.11Å; I849-D851 VanDerWaalsContact C-N 3.29Å; I849-D851 PolarHBondContact O-N 2.9Å; I849-R852 PolarHBondContact O-N 3.28Å; I849-I853 HydrophobicContact CG1-CD1 4.34Å; I849-I853 WeakPolarHBondContact O-CD1 3.39Å; I849-I853 VanDerWaalsContact O-CG1 3.28Å; I849-I853 WeakPolarHBondContact O-CG1 3.21Å; I849-I853 PolarHBondContact O-N 2.93Å
850	K	69.9	Low	70.9	Confident	148 Å²	148	84.8 Å²	84.8	64%	0.643	42%	0.421	S	S	*	.	H	α-helix	trans	-60	-41.5	173.2	-75	-173.3	175.7	-177.6	0	111	G848 I853 I854	G848-K850 VanDerWaalsContact C-N 3.29Å; G848-K850 PolarHBondContact O-N 3.02Å; K850-I853 CarbonylContact O-C 3.44Å; K850-I853 WeakPolarHBondContact O-CB 3.46Å; K850-I853 PolarHBondContact O-N 3.39Å; K850-I853 VanDerWaalsContact O-N 3.16Å; K850-I854 WeakPolarHBondContact O-CB 3.4Å; K850-I854 VanDerWaalsContact O-CG1 3.25Å; K850-I854 WeakPolarHBondContact O-CG1 3.32Å; K850-I854 PolarHBondContact O-N 3.1Å
851	D	74.5	Confident	69.1	Low	104 Å²	104	82.9 Å²	82.9	56%	0.556	41%	0.413	S	S	*	.	H	α-helix	trans	-71.2	-36.3	-177.4	-48.3	-65.7	0	0	0	111.2	G848 I849 I853 I854 S855	G848-D851 WeakPolarHBondContact CA-OD2 3.38Å; G848-D851 PolarHBondContact O-N 2.88Å; G848-D851 VanDerWaalsContact O-N 3.16Å; I849-D851 VanDerWaalsContact C-N 3.29Å; I849-D851 PolarHBondContact O-N 2.9Å; D851-I853 VanDerWaalsContact C-N 3.35Å; D851-I854 PolarHBondContact O-N 3.48Å; D851-S855 WeakPolarHBondContact O-CB 3.39Å; D851-S855 PolarHBondContact O-N 3.39Å
852	R	73.9	Confident	66.6	Low	171 Å²	171	86.5 Å²	86.5	65%	0.645	44%	0.438	S	S	*	.	H	α-helix	trans	-62.6	-39.1	168.2	-73.4	-172.6	169.6	-167.9	-4.1	112.5	L806 G848 I849 M856	L806-R852 HydrophobicContact CD1-CB 4.16Å; L806-R852 HydrophobicContact CD2-CB 4.35Å; G848-R852 PolarHBondContact O-N 2.76Å; I849-R852 PolarHBondContact O-N 3.28Å; R852-M856 PolarHBondContact O-N 3.03Å
853	I	73.8	Confident	64.1	Low	4 Å²	4	89 Å²	89	2%	0.021	45%	0.447	C	S	.	.	H	α-helix	trans	-68.1	-37.6	174.9	-70	159	0	0	0	111.5	E799 A802 L806 I849 K850 D851 M856 K857	E799-I853 HydrophobicContact CB-CG2 4.12Å; E799-I853 HydrophobicContact CG-CD1 4.14Å; E799-I853 HydrophobicContact CG-CG2 3.74Å; A802-I853 HydrophobicContact CB-CG1 4.29Å; L806-I853 HydrophobicContact CD1-CG1 3.82Å; I849-I853 HydrophobicContact CG1-CD1 4.34Å; I849-I853 WeakPolarHBondContact O-CD1 3.39Å; I849-I853 VanDerWaalsContact O-CG1 3.28Å; I849-I853 WeakPolarHBondContact O-CG1 3.21Å; I849-I853 PolarHBondContact O-N 2.93Å; K850-I853 CarbonylContact O-C 3.44Å; K850-I853 WeakPolarHBondContact O-CB 3.46Å; K850-I853 PolarHBondContact O-N 3.39Å; K850-I853 VanDerWaalsContact O-N 3.16Å; D851-I853 VanDerWaalsContact C-N 3.35Å; I853-M856 PolarHBondContact O-N 2.79Å; I853-K857 HydrophobicContact CG2-CD 4.43Å; I853-K857 WeakPolarHBondContact O-CG 3.42Å; I853-K857 PolarHBondContact O-N 3.09Å
854	I	71.1	Confident	61.5	Low	72 Å²	72	88.9 Å²	88.9	37%	0.369	45%	0.449	S	S	.	.	H	α-helix	trans	-70	-43.7	176.8	-71.4	162.5	0	0	0	110.7	K850 D851 M856 K857 F858	K850-I854 WeakPolarHBondContact O-CB 3.4Å; K850-I854 VanDerWaalsContact O-CG1 3.25Å; K850-I854 WeakPolarHBondContact O-CG1 3.32Å; K850-I854 PolarHBondContact O-N 3.1Å; D851-I854 PolarHBondContact O-N 3.48Å; I854-M856 VanDerWaalsContact C-N 3.32Å; I854-M856 PolarHBondContact O-N 2.72Å; I854-K857 WeakPolarHBondContact O-CA 3.41Å; I854-K857 WeakPolarHBondContact O-CB 3.35Å; I854-K857 PolarHBondContact O-N 3.28Å; I854-F858 HydrophobicContact CG2-CD2 3.81Å; I854-F858 HydrophobicContact CG2-CE2 3.5Å; I854-F858 VanDerWaalsContact CG2-CE2 3.5Å; I854-F858 VanDerWaalsContact O-CD2 3.28Å; I854-F858 WeakPolarHBondContact O-CD2 3.1Å; I854-F858 PolarHBondContact O-N 2.85Å
855	S	70.5	Confident	59.3	Low	62 Å²	62	85.8 Å²	85.8	43%	0.434	45%	0.447	S	S	.	.	H	α-helix	trans	-56.8	-44.7	171.2	-179.7	0	0	0	0	111.4	D851 K857 F858 R859	D851-S855 WeakPolarHBondContact O-CB 3.39Å; D851-S855 PolarHBondContact O-N 3.39Å; S855-K857 PolarHBondContact O-N 3.09Å; S855-F858 PolarHBondContact O-N 3.34Å; S855-R859 WeakPolarHBondContact O-CB 3.33Å; S855-R859 PolarHBondContact O-N 3.37Å
856	M	61.3	Low	57.1	Low	16 Å²	16	85.4 Å²	85.4	8%	0.079	46%	0.458	C	S	.	.	H	α-helix	trans	-61	-39	171	-84	-166.6	63.4	0	0	113.1	L786 F798 A802 H805 L806 R852 I853 I854 C860	L786-M856 HydrophobicContact CD1-CE 3.6Å; L786-M856 HydrophobicContact CD1-CG 4.43Å; L786-M856 HydrophobicContact CD1-SD 3.81Å; L786-M856 HydrophobicContact CG-CE 4.11Å; F798-M856 HydrophobicContact CE1-CB 3.92Å; F798-M856 HydrophobicContact CZ-CB 4.08Å; F798-M856 HydrophobicContact CZ-CE 4.22Å; F798-M856 WeakPolarHBondContact CZ-O 3.28Å; A802-M856 HydrophobicContact CB-CE 3.8Å; A802-M856 HydrophobicContact CB-SD 3.72Å; H805-M856 HydrophobicContact CB-CE 4.13Å; H805-M856 HydrophobicContact CB-SD 4.22Å; L806-M856 HydrophobicContact CG-SD 4.36Å; R852-M856 PolarHBondContact O-N 3.03Å; I853-M856 PolarHBondContact O-N 2.79Å; I854-M856 VanDerWaalsContact C-N 3.32Å; I854-M856 PolarHBondContact O-N 2.72Å; M856-C860 WeakPolarHBondContact O-CB 3.42Å; M856-C860 PolarHBondContact O-SG 3.33Å
857	K	63.2	Low	54.8	Low	52 Å²	52	90.5 Å²	90.5	23%	0.226	47%	0.474	C	S	.	.	H	α-helix	trans	-61	-47	176.5	-75.3	166.8	-174.7	168.1	0	110.6	F798 E799 I853 I854 S855 F861	F798-K857 HydrophobicContact CD1-CG 3.55Å; F798-K857 HydrophobicContact CE1-CB 4.28Å; F798-K857 HydrophobicContact CE1-CG 3.56Å; F798-K857 HydrophobicContact CG-CG 4.47Å; F798-K857 HydrophobicContact CZ-CG 4.49Å; E799-K857 IonicContact OE2-NZ 3.19Å; E799-K857 PolarHBondContact OE2-NZ 2.17Å; I853-K857 HydrophobicContact CG2-CD 4.43Å; I853-K857 WeakPolarHBondContact O-CG 3.42Å; I853-K857 PolarHBondContact O-N 3.09Å; I854-K857 WeakPolarHBondContact O-CA 3.41Å; I854-K857 WeakPolarHBondContact O-CB 3.35Å; I854-K857 PolarHBondContact O-N 3.28Å; S855-K857 PolarHBondContact O-N 3.09Å; K857-F861 WeakPolarHBondContact O-CD2 3.38Å; K857-F861 WeakPolarHBondContact O-CE2 3.49Å
858	F	61	Low	52.9	Low	154 Å²	154	90.2 Å²	90.2	68%	0.675	47%	0.472	S	S	*	.	H	α-helix	trans	-63.1	-45.2	178.5	-76.4	-65.7	0	0	0	113.1	I854 S855 C860	I854-F858 HydrophobicContact CG2-CD2 3.81Å; I854-F858 HydrophobicContact CG2-CE2 3.5Å; I854-F858 VanDerWaalsContact CG2-CE2 3.5Å; I854-F858 VanDerWaalsContact O-CD2 3.28Å; I854-F858 WeakPolarHBondContact O-CD2 3.1Å; I854-F858 PolarHBondContact O-N 2.85Å; S855-F858 PolarHBondContact O-N 3.34Å; F858-C860 PolarHBondContact O-N 3.44Å
859	R	56.1	Low	50.4	Low	205 Å²	205	93.7 Å²	93.7	77%	0.774	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	2.6	-174.6	-135.2	171.7	-169.5	156.9	1.4	115.4	C785 S855	C785-R859 PolarHBondContact SG-O 3.45Å; S855-R859 WeakPolarHBondContact O-CB 3.33Å; S855-R859 PolarHBondContact O-N 3.37Å
860	C	57.4	Low	47.9	Very low	13 Å²	13	99.7 Å²	99.7	9%	0.088	52%	0.523	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	22	-168.8	-81.5	0	0	0	0	113	I783 C785 F798 M856 F858	I783-C860 VanDerWaalsContact O-CB 3.29Å; I783-C860 WeakPolarHBondContact O-CB 3.27Å; C785-C860 HydrophobicContact CB-CB 4.04Å; C785-C860 WeakPolarHBondContact CB-SG 3.32Å; C785-C860 PolarHBondContact N-SG 3.09Å; C785-C860 WeakPolarHBondContact SG-CA 3.36Å; C785-C860 WeakPolarHBondContact SG-CB 3.25Å; C785-C860 CovalentContact SG-SG 2.06Å; C785-C860 PolarHBondContact SG-SG 2.65Å; F798-C860 HydrophobicContact CE2-CB 3.99Å; F798-C860 HydrophobicContact CZ-CB 4.15Å; F798-C860 VanDerWaalsContact CZ-SG 3.59Å; M856-C860 WeakPolarHBondContact O-CB 3.42Å; M856-C860 PolarHBondContact O-SG 3.33Å; F858-C860 PolarHBondContact O-N 3.44Å
861	F	41.2	Very low	45.8	Very low	77 Å²	77	103.9 Å²	103.9	34%	0.338	53%	0.534	S	S	.	.			trans	-123.3	120	176.5	-75	-91.4	0	0	0	109.5	K782 K857 G875 A876	K782-F861 HydrophobicContact CD-CE1 3.88Å; K782-F861 HydrophobicContact CD-CZ 3.73Å; K782-F861 HydrophobicContact CG-CE1 4.35Å; K857-F861 WeakPolarHBondContact O-CD2 3.38Å; K857-F861 WeakPolarHBondContact O-CE2 3.49Å; F861-G875 WeakPolarHBondContact O-CA 3.49Å; F861-A876 HydrophobicContact CB-CB 3.65Å; F861-A876 HydrophobicContact CD1-CB 4.27Å; F861-A876 HydrophobicContact CG-CB 4.44Å
862	P	32.5	Very low	43.4	Very low	103 Å²	103	102.7 Å²	102.7	67%	0.669	55%	0.547	S	S	*	.			trans	-107.5	154.8	175.5	37.4	-30.3	0	0	0	112.7	A876	P862-A876 WeakPolarHBondContact O-CA 3.03Å; P862-A876 WeakPolarHBondContact O-CB 3.35Å; P862-A876 PolarHBondContact O-N 3.48Å
863	F	28.5	Very low	41	Very low	118 Å²	118	97.9 Å²	97.9	52%	0.518	54%	0.544	S	S	.	.			trans	115.9	20.6	-177	-110	-77.5	0	0	0	119.7	A876 S877	F863-A876 VanDerWaalsContact C-CA 3.47Å; F863-A876 VanDerWaalsContact C-N 3.27Å; F863-A876 VanDerWaalsContact N-N 3.11Å; F863-S877 VanDerWaalsContact C-N 3.31Å; F863-S877 CarbonylContact O-C 3.54Å; F863-S877 PolarHBondContact O-N 3.06Å
864	L	28.8	Very low	38.7	Very low	89 Å²	89	103.5 Å²	103.5	47%	0.466	58%	0.581	S	S	.	*			trans	-123.3	142.7	162.4	-81.1	-179.6	0	0	0	108.2	P874 G875 S877	L864-P874 VanDerWaalsContact O-CA 3.3Å; L864-P874 WeakPolarHBondContact O-CA 3.42Å; L864-G875 WeakPolarHBondContact CB-O 3.44Å; L864-G875 WeakPolarHBondContact CD1-O 3.39Å; L864-G875 WeakPolarHBondContact CG-O 3.03Å; L864-G875 VanDerWaalsContact N-C 3.32Å; L864-G875 PolarHBondContact O-N 3.14Å; L864-G875 VanDerWaalsContact O-N 3.1Å; L864-S877 WeakPolarHBondContact CD2-OG 3.38Å
865	A	29.8	Very low	36.5	Very low	61 Å²	61	101.4 Å²	101.4	50%	0.504	58%	0.576	S	S	.	*			trans	65.5	153	-157.2	0	0	0	0	0	112.6	A873	A865-A873 WeakPolarHBondContact CB-O 3.24Å
866	G	25	Very low	34.2	Very low	77 Å²	77	100.2 Å²	100.2	79%	0.794	57%	0.57	S	S	*	*	P	Polyproline II helix	cis	-86	133.1	13.1	0	0	0	0	0	117.2
867	F	23.2	Very low	32.4	Very low	186 Å²	186	102.7 Å²	102.7	82%	0.816	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-80.9	150	131.9	-81.6	-92.3	0	0	0	108.1
868	P	22.8	Very low	30.4	Very low	116 Å²	116	103.1 Å²	103.1	75%	0.753	60%	0.599	S	S	*	*	S	Bend	trans	-78.4	143.5	171.1	32.5	-33.1	0	0	0	111.1
869	S	20.1	Very low	28.6	Very low	115 Å²	115	98.3 Å²	98.3	80%	0.804	58%	0.584	S	S	*	*	S	Bend	trans	66.4	129.5	-178.6	-61.4	0	0	0	0	116.4
870	D	21.8	Very low	26.9	Very low	150 Å²	150	89 Å²	89	80%	0.802	55%	0.551	S	S	*	*	S	Bend	trans	60.4	133.2	173.4	-101	-62.7	0	0	0	120.2
871	R	25	Very low	25	Very low	236 Å²	236	90.1 Å²	90.1	89%	0.891	56%	0.559	S	S	*	*			trans	52.8	81.4	164.1	-57.2	-175.1	-178.9	-154.9	-3.4	116.7
872	G	25.1	Very low	23.9	Very low	80 Å²	80	88.6 Å²	88.6	83%	0.825	57%	0.566	S	S	*	*			trans	-70.8	131.2	179.8	0	0	0	0	0	116
873	A	23.5	Very low	23.4	Very low	69 Å²	69	86.2 Å²	86.2	57%	0.57	55%	0.551	S	S	*	*			trans	-91.9	161.7	146.2	0	0	0	0	0	109.8	A865	A865-A873 WeakPolarHBondContact CB-O 3.24Å
874	P	25.5	Very low	23.1	Very low	123 Å²	123	85.8 Å²	85.8	80%	0.799	56%	0.558	S	S	*	*			trans	-139.6	107.7	155.2	31.1	-13.3	0	0	0	113	L864	L864-P874 VanDerWaalsContact O-CA 3.3Å; L864-P874 WeakPolarHBondContact O-CA 3.42Å
875	G	23.8	Very low	22.7	Very low	27 Å²	27	87.2 Å²	87.2	28%	0.278	58%	0.576	S	S	.	*			trans	176	102.4	168.3	0	0	0	0	0	122.8	F861 L864	F861-G875 WeakPolarHBondContact O-CA 3.49Å; L864-G875 WeakPolarHBondContact CB-O 3.44Å; L864-G875 WeakPolarHBondContact CD1-O 3.39Å; L864-G875 WeakPolarHBondContact CG-O 3.03Å; L864-G875 VanDerWaalsContact N-C 3.32Å; L864-G875 PolarHBondContact O-N 3.14Å; L864-G875 VanDerWaalsContact O-N 3.1Å
876	A	23.6	Very low	22.5	Very low	37 Å²	37	87.9 Å²	87.9	31%	0.306	58%	0.581	S	S	.	*			trans	43.3	98.6	162.6	0	0	0	0	0	124.1	F861 P862 F863	F861-A876 HydrophobicContact CB-CB 3.65Å; F861-A876 HydrophobicContact CD1-CB 4.27Å; F861-A876 HydrophobicContact CG-CB 4.44Å; P862-A876 WeakPolarHBondContact O-CA 3.03Å; P862-A876 WeakPolarHBondContact O-CB 3.35Å; P862-A876 PolarHBondContact O-N 3.48Å; F863-A876 VanDerWaalsContact C-CA 3.47Å; F863-A876 VanDerWaalsContact C-N 3.27Å; F863-A876 VanDerWaalsContact N-N 3.11Å
877	S	22.2	Very low	22.5	Very low	68 Å²	68	89.7 Å²	89.7	48%	0.476	57%	0.572	S	S	.	*				-156.1	129.7	122.4	57.5	0	0	0	0	111.9	F863 L864	F863-S877 VanDerWaalsContact C-N 3.31Å; F863-S877 CarbonylContact O-C 3.54Å; F863-S877 PolarHBondContact O-N 3.06Å; L864-S877 WeakPolarHBondContact CD2-OG 3.38Å
878	S	22.2	Very low	22.6	Very low	62 Å²	62	85 Å²	85	43%	0.434	55%	0.552	S	S	.	*			trans	-28.1	133	168.1	49.4	0	0	0	0	116.6
879	C	21.9	Very low	22.5	Very low	52 Å²	52	82 Å²	82	35%	0.351	54%	0.543	S	S	.	.			trans	-106.9	148.8	136.7	65	0	0	0	0	106.8	P536	P536-C879 VanDerWaalsContact CD-O 3.25Å; P536-C879 WeakPolarHBondContact CD-O 3.46Å
880	G	20.1	Very low	22.6	Very low	9 Å²	9	79 Å²	79	9%	0.093	53%	0.529	C	S	.	.				66.3	104.8	55.2	0	0	0	0	0	109.6
881	S	18.4	Very low	22.6	Very low	37 Å²	37	75 Å²	75	26%	0.259	53%	0.525	S	S	.	.			cis	-150.7	-156.7	1	-57.6	0	0	0	0	108.7	P536 I537 E775 S883	P536-S881 VanDerWaalsContact CB-C 3.45Å; P536-S881 VanDerWaalsContact CG-CA 3.44Å; I537-S881 WeakPolarHBondContact CG1-O 3.42Å; I537-S881 WeakPolarHBondContact CG2-O 3.19Å; E775-S881 PolarHBondContact O-OG 2.84Å; E775-S881 VanDerWaalsContact O-OG 3.12Å; S881-S883 PolarHBondContact O-N 3.04Å
882	G	18.3	Very low	22.5	Very low	46 Å²	46	71.1 Å²	71.1	47%	0.474	52%	0.521	S	S	.	.	S	Bend	trans	-62.1	84	148.4	0	0	0	0	0	109.4
883	S	22	Very low	22.5	Very low	52 Å²	52	72.6 Å²	72.6	36%	0.364	52%	0.519	S	S	.	.			trans	-125.2	111.2	176.7	57.5	0	0	0	0	107.8	I537 S881	I537-S883 WeakPolarHBondContact CG2-O 3.41Å; S881-S883 PolarHBondContact O-N 3.04Å
884	V	21.1	Very low	22.6	Very low	110 Å²	110	73.2 Å²	73.2	67%	0.667	53%	0.532	S	S	*	.			cis	-118.7	131.1	32.7	-81.8	0	0	0	0	115.6	A886	V884-A886 HydrophobicContact CB-CB 4.22Å; V884-A886 HydrophobicContact CG2-CB 3.88Å; V884-A886 WeakPolarHBondContact O-CB 3.35Å; V884-A886 PolarHBondContact O-N 3.35Å
885	S	21.7	Very low	22.7	Very low	119 Å²	119	71.8 Å²	71.8	83%	0.832	53%	0.525	S	S	*	.			trans	-59.1	86.6	150.5	-54.1	0	0	0	0	109.3	L887	S885-L887 PolarHBondContact O-N 3.47Å
886	A	25.7	Very low	22.5	Very low	75 Å²	75	78 Å²	78	62%	0.62	55%	0.552	S	S	*	*			trans	-96.4	58.9	-160.6	0	0	0	0	0	114.4	V884	V884-A886 HydrophobicContact CB-CB 4.22Å; V884-A886 HydrophobicContact CG2-CB 3.88Å; V884-A886 WeakPolarHBondContact O-CB 3.35Å; V884-A886 PolarHBondContact O-N 3.35Å
887	L	24.4	Very low	22.5	Very low	115 Å²	115	80.1 Å²	80.1	60%	0.602	57%	0.57	S	S	*	*	S	Bend	trans	69	132.6	161.5	-61.2	158.1	0	0	0	115.5	S885	S885-L887 PolarHBondContact O-N 3.47Å
888	H	24.8	Very low	22.4	Very low	87 Å²	87	84.9 Å²	84.9	40%	0.403	59%	0.59	S	S	.	*			cis	-132	85	38.5	-101.9	-39.4	0	0	0	114.8	A41 M42	A41-H888 CarbonylContact C-O 3.45Å; A41-H888 VanDerWaalsContact CA-O 3.24Å; A41-H888 WeakPolarHBondContact CA-O 3.37Å; M42-H888 HydrophobicContact CG-CB 4.05Å; M42-H888 PolarHBondContact N-O 2.83Å
889	G	22.4	Very low	22.5	Very low	54 Å²	54	85.5 Å²	85.5	56%	0.557	61%	0.606	S	S	*	*			trans	45.6	-143	138.3	0	0	0	0	0	118.4	M42	M42-G889 CarbonylContact O-C 3.3Å
890	G	22.1	Very low	22.6	Very low	50 Å²	50	88.4 Å²	88.4	52%	0.515	63%	0.627	S	S	.	*			trans	119.7	9.6	161.2	0	0	0	0	0	119.9	A41 M42	A41-G890 WeakPolarHBondContact O-CA 3.25Å; M42-G890 WeakPolarHBondContact O-CA 3.21Å; M42-G890 PolarHBondContact O-N 2.94Å
891	G	20.5	Very low	23	Very low	68 Å²	68	93.3 Å²	93.3	70%	0.701	66%	0.66	S	S	*	*			trans	160.2	140.5	169.2	0	0	0	0	0	115.8
892	N	23	Very low	23.6	Very low	154 Å²	154	99.6 Å²	99.6	82%	0.824	69%	0.69	S	S	*	*			cis	-153.8	166.1	-17	-137.9	0.3	0	0	0	111.6	G894	N892-G894 PolarHBondContact O-N 3.34Å
893	S	25.5	Very low	24.6	Very low	110 Å²	110	103.4 Å²	103.4	77%	0.769	70%	0.699	S	S	*	*			trans	-47.8	124.2	169	49.8	0	0	0	0	113
894	G	26.2	Very low	25.8	Very low	82 Å²	82	103.6 Å²	103.6	85%	0.845	70%	0.704	S	S	*	*			trans	-140.1	62.7	-177.4	0	0	0	0	0	112.6	N892	N892-G894 PolarHBondContact O-N 3.34Å
895	S	26	Very low	28	Very low	94 Å²	94	102.3 Å²	102.3	66%	0.657	70%	0.697	S	S	*	*			trans	-70.2	148.2	-168.6	53.7	0	0	0	0	117.7
896	N	21	Very low	30.3	Very low	156 Å²	156	99.1 Å²	99.1	83%	0.834	67%	0.672	S	S	*	*			trans	80.8	162.7	140.2	-63.8	-3.9	0	0	0	122.2
897	A	23.3	Very low	32.5	Very low	83 Å²	83	98.7 Å²	98.7	69%	0.686	66%	0.662	S	S	*	*			trans	85.2	97	155.1	0	0	0	0	0	119.3
898	D	20.5	Very low	35	Very low	167 Å²	167	93.2 Å²	93.2	89%	0.893	63%	0.633	S	S	*	*				28	134.9	105.7	-44.5	-36.7	0	0	0	118.9
899	G	24.1	Very low	37	Very low	76 Å²	76	95.2 Å²	95.2	78%	0.784	64%	0.643	S	S	*	*			trans	172	95.2	165.4	0	0	0	0	0	117.5
900	S	23.8	Very low	38.8	Very low	113 Å²	113	96.1 Å²	96.1	79%	0.79	63%	0.634	S	S	*	*			trans	-36.6	135.1	165.9	51.5	0	0	0	0	118.3
901	S	27.4	Very low	41.4	Very low	112 Å²	112	96.2 Å²	96.2	78%	0.783	63%	0.626	S	S	*	*			trans	9	123.4	141.9	60	0	0	0	0	120.3
902	L	33	Very low	43.9	Very low	168 Å²	168	99.4 Å²	99.4	88%	0.88	63%	0.626	S	S	*	*			trans	-160.6	153.5	135.5	-109	169.3	0	0	0	110.2	A904	L902-A904 PolarHBondContact O-N 3.38Å; L902-A904 VanDerWaalsContact O-N 3.07Å
903	N	38.1	Very low	46.3	Very low	126 Å²	126	97.7 Å²	97.7	67%	0.674	61%	0.614	S	S	*	*			trans	-75.5	97	-170.4	-62.7	-32.8	0	0	0	112.4
904	A	46.5	Very low	48.5	Very low	57 Å²	57	97.7 Å²	97.7	47%	0.471	61%	0.605	S	S	.	*			trans	-80.8	168.3	166	0	0	0	0	0	111.8	L902 A917	L902-A904 PolarHBondContact O-N 3.38Å; L902-A904 VanDerWaalsContact O-N 3.07Å; A904-A917 HydrophobicContact CB-CB 3.95Å; A904-A917 WeakPolarHBondContact O-CB 3.46Å; A904-A917 PolarHBondContact O-N 3.37Å
905	T	67.8	Low	50.8	Low	83 Å²	83	94.3 Å²	94.3	51%	0.509	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.7	132.2	166	52.6	0	0	0	0	110.4	V915 L916	T905-V915 CarbonylContact C-O 3.34Å; T905-V915 WeakPolarHBondContact CA-O 3.34Å; T905-V915 WeakPolarHBondContact CB-O 3.05Å; T905-L916 HydrophobicContact CG2-CD2 4.02Å
906	V	70.3	Confident	52.9	Low	52 Å²	52	94.1 Å²	94.1	32%	0.315	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.3	124.1	-179.9	-166.9	0	0	0	0	109.7	V915 A917 F985	V906-V915 PolarHBondContact N-O 3.48Å; V906-V915 PolarHBondContact O-N 2.87Å; V906-A917 HydrophobicContact CG2-CB 3.84Å; V906-F985 HydrophobicContact CB-CE1 4.33Å; V906-F985 HydrophobicContact CG1-CD1 3.47Å; V906-F985 VanDerWaalsContact CG1-CD1 3.47Å; V906-F985 HydrophobicContact CG1-CE1 3.66Å
907	T	72.3	Confident	55	Low	66 Å²	66	89 Å²	89	41%	0.405	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	125.3	172.7	-38	0	0	0	0	109.7	Q913 N914	T907-Q913 WeakPolarHBondContact CA-O 3.42Å; T907-N914 WeakPolarHBondContact CB-OD1 3.33Å; T907-N914 WeakPolarHBondContact CG2-OD1 3.24Å; T907-N914 PolarHBondContact OG1-OD1 3.2Å
908	C	76.1	Confident	57.2	Low	0 Å²	0	88.1 Å²	88.1	0%	0	52%	0.522	C	S	.	.			trans	-79.9	124.5	176.8	-171.9	0	0	0	0	111.6	L910 C911 L912 Q913 H925 F985	C908-L910 PolarHBondContact O-N 2.93Å; C908-C911 PolarHBondContact O-N 2.89Å; C908-L912 VanDerWaalsContact O-CA 3.29Å; C908-L912 WeakPolarHBondContact O-CA 3.49Å; C908-L912 PolarHBondContact O-N 2.69Å; C908-Q913 PolarHBondContact N-O 2.91Å; C908-H925 WeakPolarHBondContact CB-NE2 3.27Å; C908-F985 VanDerWaalsContact CA-CE1 3.42Å; C908-F985 HydrophobicContact CB-CE1 3.71Å; C908-F985 HydrophobicContact CB-CE2 4.47Å; C908-F985 HydrophobicContact CB-CZ 3.52Å; C908-F985 WeakPolarHBondContact SG-CZ 3.08Å
909	Q	66.5	Low	58.9	Low	129 Å²	129	84.6 Å²	84.6	60%	0.603	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.2	174.9	-86.6	85.1	10.8	0	0	114
910	L	60.1	Low	61	Low	73 Å²	73	85.8 Å²	85.8	38%	0.382	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-21.6	-173.7	-60.2	171.7	0	0	0	114.3	C908 H929 F934	C908-L910 PolarHBondContact O-N 2.93Å; L910-H929 WeakPolarHBondContact CB-CE1 3.42Å; L910-H929 WeakPolarHBondContact CB-ND1 2.85Å; L910-H929 WeakPolarHBondContact CB-NE2 3.22Å; L910-H929 HydrophobicContact CD1-CB 4.37Å; L910-H929 PolarHBondContact O-CE1 3.19Å; L910-H929 VanDerWaalsContact O-CE1 3.28Å; L910-F934 HydrophobicContact CD2-CE2 4.18Å
911	C	78	Confident	63.4	Low	51 Å²	51	81.7 Å²	81.7	35%	0.345	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.2	-8.1	174.2	65.8	0	0	0	0	115.6	C908 Q913 H925 H929	C908-C911 PolarHBondContact O-N 2.89Å; C911-Q913 HydrophobicContact CB-CG 4.43Å; C911-Q913 PolarHBondContact O-N 2.93Å; C911-Q913 VanDerWaalsContact SG-CB 3.54Å; C911-Q913 VanDerWaalsContact SG-CG 3.59Å; C911-Q913 PolarHBondContact SG-N 2.92Å; C911-H925 PolarHBondContact SG-CE1 3.16Å; C911-H925 PolarHBondContact SG-NE2 3.33Å; C911-H929 VanDerWaalsContact CB-CE1 3.44Å; C911-H929 WeakPolarHBondContact CB-CE1 3.19Å; C911-H929 WeakPolarHBondContact CB-NE2 3.36Å; C911-H929 PolarHBondContact N-CE1 3.35Å; C911-H929 PolarHBondContact N-NE2 3.22Å; C911-H929 PolarHBondContact SG-NE2 2.89Å
912	L	72.6	Confident	65.3	Low	135 Å²	135	77.4 Å²	77.4	71%	0.707	44%	0.436	S	S	*	.			trans	63.2	15.4	-174.3	-52	172.8	0	0	0	115.6	C908	C908-L912 VanDerWaalsContact O-CA 3.29Å; C908-L912 WeakPolarHBondContact O-CA 3.49Å; C908-L912 PolarHBondContact O-N 2.69Å
913	Q	72.5	Confident	66.8	Low	119 Å²	119	72.4 Å²	72.4	56%	0.556	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-77.2	145	168.4	-63.6	179.6	-5	0	0	111.2	T907 C908 C911 H925	T907-Q913 WeakPolarHBondContact CA-O 3.42Å; C908-Q913 PolarHBondContact N-O 2.91Å; C911-Q913 HydrophobicContact CB-CG 4.43Å; C911-Q913 PolarHBondContact O-N 2.93Å; C911-Q913 VanDerWaalsContact SG-CB 3.54Å; C911-Q913 VanDerWaalsContact SG-CG 3.59Å; C911-Q913 PolarHBondContact SG-N 2.92Å; Q913-H925 PolarHBondContact OE1-CE1 3.36Å
914	N	72.7	Confident	68.4	Low	110 Å²	110	71.9 Å²	71.9	59%	0.588	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	117.6	170	-71.9	-29.5	0	0	0	110.3	T907	T907-N914 WeakPolarHBondContact CB-OD1 3.33Å; T907-N914 WeakPolarHBondContact CG2-OD1 3.24Å; T907-N914 PolarHBondContact OG1-OD1 3.2Å
915	V	74.1	Confident	70	Confident	10 Å²	10	70.1 Å²	70.1	6%	0.061	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	146	176.3	-161.6	0	0	0	0	108.9	T905 V906 A921 H925	T905-V915 CarbonylContact C-O 3.34Å; T905-V915 WeakPolarHBondContact CA-O 3.34Å; T905-V915 WeakPolarHBondContact CB-O 3.05Å; V906-V915 PolarHBondContact N-O 3.48Å; V906-V915 PolarHBondContact O-N 2.87Å; V915-A921 HydrophobicContact CG1-CB 4.08Å; V915-A921 WeakPolarHBondContact CG1-O 3.44Å; V915-H925 HydrophobicContact CG1-CB 3.78Å; V915-H925 HydrophobicContact CG2-CB 3.97Å; V915-H925 WeakPolarHBondContact CG2-CD2 3.44Å
916	L	70.4	Confident	69.6	Low	91 Å²	91	66.7 Å²	66.7	48%	0.476	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	138.6	166.3	-73.9	162.2	0	0	0	109.7	T905 N918 A921	T905-L916 HydrophobicContact CG2-CD2 4.02Å; L916-N918 PolarHBondContact O-N 3.07Å; L916-A921 HydrophobicContact CB-CB 4.07Å
917	A	64	Low	69	Low	48 Å²	48	67.5 Å²	67.5	40%	0.397	38%	0.375	S	S	.	.	S	Bend	trans	-73.7	34.6	-178.7	0	0	0	0	0	113.8	A904 V906	A904-A917 HydrophobicContact CB-CB 3.95Å; A904-A917 WeakPolarHBondContact O-CB 3.46Å; A904-A917 PolarHBondContact O-N 3.37Å; V906-A917 HydrophobicContact CG2-CB 3.84Å
918	N	70	Confident	68.5	Low	64 Å²	64	66.8 Å²	66.8	34%	0.342	38%	0.376	S	S	.	.	S	Bend	trans	-108.6	134.1	-176.7	-60.3	18.8	0	0	0	107.9	L916 T920 A921 F922	L916-N918 PolarHBondContact O-N 3.07Å; N918-T920 PolarHBondContact O-N 3.33Å; N918-A921 PolarHBondContact O-N 3.33Å; N918-A921 VanDerWaalsContact O-N 3.12Å; N918-F922 PolarHBondContact O-N 2.91Å
919	D	55.9	Low	67.5	Low	93 Å²	93	67.9 Å²	67.9	50%	0.497	38%	0.381	S	S	.	.	H	α-helix	trans	-52.5	-34.6	-173.5	-86.2	-69.5	0	0	0	114.3	N923 R981	D919-N923 WeakPolarHBondContact O-CB 3.34Å; D919-N923 PolarHBondContact O-N 3.05Å; D919-N923 PolarHBondContact O-ND2 3.39Å; D919-R981 IonicContact OD1-CZ 2.6Å; D919-R981 IonicContact OD1-NH1 3.2Å; D919-R981 PolarHBondContact OD1-NH1 3.16Å; D919-R981 IonicContact OD1-NH2 2.7Å; D919-R981 PolarHBondContact OD1-NH2 3.07Å
920	T	69.5	Low	66.3	Low	102 Å²	102	67 Å²	67	63%	0.626	38%	0.38	S	S	*	.	H	α-helix	trans	-64.3	-59.8	175.7	47.1	0	0	0	0	111.5	N918 F922 N923 D924	N918-T920 PolarHBondContact O-N 3.33Å; T920-F922 PolarHBondContact O-N 2.97Å; T920-N923 PolarHBondContact O-N 2.97Å; T920-D924 WeakPolarHBondContact O-CB 3.34Å; T920-D924 VanDerWaalsContact O-CG 3.27Å; T920-D924 PolarHBondContact O-N 3.46Å
921	A	73.8	Confident	65.4	Low	27 Å²	27	67.3 Å²	67.3	22%	0.223	39%	0.388	C	S	.	.	H	α-helix	trans	-56.9	-36.2	178.5	0	0	0	0	0	112.4	V915 L916 N918 H925	V915-A921 HydrophobicContact CG1-CB 4.08Å; V915-A921 WeakPolarHBondContact CG1-O 3.44Å; L916-A921 HydrophobicContact CB-CB 4.07Å; N918-A921 PolarHBondContact O-N 3.33Å; N918-A921 VanDerWaalsContact O-N 3.12Å; A921-H925 WeakPolarHBondContact O-CB 3.29Å; A921-H925 PolarHBondContact O-N 3.04Å
922	F	66.1	Low	63.2	Low	22 Å²	22	72.7 Å²	72.7	10%	0.096	41%	0.407	C	S	.	.	H	α-helix	trans	-66.4	-46.2	174.2	-173.7	-83.7	0	0	0	112.6	N918 T920 H925 L926 R981 F985	N918-F922 PolarHBondContact O-N 2.91Å; T920-F922 PolarHBondContact O-N 2.97Å; F922-H925 PolarHBondContact O-N 3.05Å; F922-L926 HydrophobicContact CE1-CD2 4.31Å; F922-L926 VanDerWaalsContact O-CB 3.27Å; F922-L926 WeakPolarHBondContact O-CB 3.3Å; F922-L926 PolarHBondContact O-N 2.79Å; F922-R981 HydrophobicContact CE1-CG 4.03Å; F922-R981 HydrophobicContact CZ-CG 3.98Å; F922-F985 HydrophobicContact CD2-CE2 4.24Å; F922-F985 HydrophobicContact CD2-CZ 4.12Å; F922-F985 HydrophobicContact CE1-CE2 4.4Å; F922-F985 HydrophobicContact CE2-CD1 4.1Å; F922-F985 AromaticContact CE2-CD2 3.46Å; F922-F985 HydrophobicContact CE2-CD2 3.46Å; F922-F985 VanDerWaalsContact CE2-CD2 3.46Å; F922-F985 AromaticContact CE2-CE1 3.9Å; F922-F985 HydrophobicContact CE2-CE1 3.9Å; F922-F985 AromaticContact CE2-CE2 3.27Å; F922-F985 HydrophobicContact CE2-CE2 3.27Å; F922-F985 AromaticContact CE2-CG 3.88Å; F922-F985 HydrophobicContact CE2-CG 3.88Å; F922-F985 AromaticContact CE2-CZ 3.48Å; F922-F985 HydrophobicContact CE2-CZ 3.48Å; F922-F985 VanDerWaalsContact CE2-CZ 3.48Å; F922-F985 AromaticContact CZ-CD2 3.4Å; F922-F985 HydrophobicContact CZ-CD2 3.4Å; F922-F985 VanDerWaalsContact CZ-CD2 3.4Å; F922-F985 AromaticContact CZ-CE2 3.38Å; F922-F985 HydrophobicContact CZ-CE2 3.38Å; F922-F985 HydrophobicContact CZ-CG 4.16Å; F922-F985 HydrophobicContact CZ-CZ 4.08Å
923	N	66.2	Low	61.1	Low	63 Å²	63	72.6 Å²	72.6	34%	0.337	40%	0.402	S	S	.	.	H	α-helix	trans	-69.3	-37.4	178.4	-77.9	-63.8	0	0	0	112.2	D919 T920 L926 S927	D919-N923 WeakPolarHBondContact O-CB 3.34Å; D919-N923 PolarHBondContact O-N 3.05Å; D919-N923 PolarHBondContact O-ND2 3.39Å; T920-N923 PolarHBondContact O-N 2.97Å; N923-L926 PolarHBondContact O-N 2.97Å; N923-S927 VanDerWaalsContact O-CB 3.28Å; N923-S927 WeakPolarHBondContact O-CB 3.24Å; N923-S927 PolarHBondContact O-N 3.11Å; N923-S927 PolarHBondContact O-OG 3.47Å
924	D	70.6	Confident	58.9	Low	114 Å²	114	71.5 Å²	71.5	61%	0.61	40%	0.395	S	S	*	.	H	α-helix	trans	-63.3	-43.9	174.2	-66.2	-30.9	0	0	0	110.5	T920 S927 A928	T920-D924 WeakPolarHBondContact O-CB 3.34Å; T920-D924 VanDerWaalsContact O-CG 3.27Å; T920-D924 PolarHBondContact O-N 3.46Å; D924-S927 WeakPolarHBondContact O-CB 3.45Å; D924-S927 PolarHBondContact O-N 2.83Å; D924-A928 PolarHBondContact O-N 3.27Å
925	H	79.8	Confident	56.6	Low	21 Å²	21	73.1 Å²	73.1	10%	0.097	40%	0.397	C	S	.	.	H	α-helix	trans	-69.8	-38.9	177.1	-172.1	80.6	0	0	0	113.1	C908 C911 Q913 V915 A921 F922 S927 A928 H929	C908-H925 WeakPolarHBondContact CB-NE2 3.27Å; C911-H925 PolarHBondContact SG-CE1 3.16Å; C911-H925 PolarHBondContact SG-NE2 3.33Å; Q913-H925 PolarHBondContact OE1-CE1 3.36Å; V915-H925 HydrophobicContact CG1-CB 3.78Å; V915-H925 HydrophobicContact CG2-CB 3.97Å; V915-H925 WeakPolarHBondContact CG2-CD2 3.44Å; A921-H925 WeakPolarHBondContact O-CB 3.29Å; A921-H925 PolarHBondContact O-N 3.04Å; F922-H925 PolarHBondContact O-N 3.05Å; H925-S927 VanDerWaalsContact C-N 3.29Å; H925-S927 PolarHBondContact O-N 2.89Å; H925-A928 WeakPolarHBondContact O-CB 3.21Å; H925-A928 PolarHBondContact O-N 3.25Å; H925-H929 AromaticContact CD2-CD2 3.78Å; H925-H929 AromaticContact NE2-CD2 3.41Å; H925-H929 PolarHBondContact NE2-CD2 3.19Å; H925-H929 AromaticContact NE2-NE2 3.6Å; H925-H929 PolarHBondContact O-N 2.69Å
926	L	59.7	Low	54.4	Low	10 Å²	10	77 Å²	77	5%	0.052	41%	0.414	C	S	.	.	H	α-helix	trans	-65.5	-35.8	173.6	-166.5	73.1	0	0	0	110.7	F922 N923 H929 I930 C984 F985	F922-L926 HydrophobicContact CE1-CD2 4.31Å; F922-L926 VanDerWaalsContact O-CB 3.27Å; F922-L926 WeakPolarHBondContact O-CB 3.3Å; F922-L926 PolarHBondContact O-N 2.79Å; N923-L926 PolarHBondContact O-N 2.97Å; L926-H929 WeakPolarHBondContact O-CB 3.46Å; L926-H929 PolarHBondContact O-N 3Å; L926-I930 HydrophobicContact CD2-CD1 4.36Å; L926-I930 HydrophobicContact CG-CD1 3.97Å; L926-I930 WeakPolarHBondContact O-CB 3.35Å; L926-I930 WeakPolarHBondContact O-CD1 3.1Å; L926-I930 VanDerWaalsContact O-CG1 3.25Å; L926-I930 WeakPolarHBondContact O-CG1 3.39Å; L926-I930 PolarHBondContact O-N 3.47Å; L926-C984 HydrophobicContact CD1-CB 4.33Å; L926-F985 HydrophobicContact CD1-CE2 4.46Å
927	S	58.8	Low	52.4	Low	69 Å²	69	74.3 Å²	74.3	48%	0.483	40%	0.403	S	S	.	.	H	α-helix	trans	-67.1	-40.1	173.5	-59.4	0	0	0	0	112	N923 D924 H925 H929 I930 S931	N923-S927 VanDerWaalsContact O-CB 3.28Å; N923-S927 WeakPolarHBondContact O-CB 3.24Å; N923-S927 PolarHBondContact O-N 3.11Å; N923-S927 PolarHBondContact O-OG 3.47Å; D924-S927 WeakPolarHBondContact O-CB 3.45Å; D924-S927 PolarHBondContact O-N 2.83Å; H925-S927 VanDerWaalsContact C-N 3.29Å; H925-S927 PolarHBondContact O-N 2.89Å; S927-H929 PolarHBondContact O-N 3.24Å; S927-I930 PolarHBondContact O-N 2.97Å; S927-S931 WeakPolarHBondContact O-CB 2.93Å; S927-S931 PolarHBondContact O-N 2.78Å; S927-S931 VanDerWaalsContact O-N 3.07Å; S927-S931 PolarHBondContact O-OG 3.32Å
928	A	60.3	Low	50.9	Low	51 Å²	51	75 Å²	75	42%	0.421	40%	0.403	S	S	.	.	H	α-helix	trans	-60.6	-36.8	169.9	0	0	0	0	0	111.3	D924 H925 S931 H932	D924-A928 PolarHBondContact O-N 3.27Å; H925-A928 WeakPolarHBondContact O-CB 3.21Å; H925-A928 PolarHBondContact O-N 3.25Å; A928-S931 WeakPolarHBondContact CA-OG 3.32Å; A928-S931 PolarHBondContact O-OG 2.96Å; A928-S931 VanDerWaalsContact O-OG 3.06Å; A928-H932 WeakPolarHBondContact O-CB 3.11Å; A928-H932 PolarHBondContact O-N 3.08Å; A928-H932 VanDerWaalsContact O-N 3.11Å
929	H	54.8	Low	48.9	Very low	24 Å²	24	74.5 Å²	74.5	11%	0.111	40%	0.402	C	S	.	.	H	α-helix	trans	-67.7	-50.1	175.5	-105.1	-54	0	0	0	114.1	L910 C911 H925 L926 S927 S931 H932 K933	L910-H929 WeakPolarHBondContact CB-CE1 3.42Å; L910-H929 WeakPolarHBondContact CB-ND1 2.85Å; L910-H929 WeakPolarHBondContact CB-NE2 3.22Å; L910-H929 HydrophobicContact CD1-CB 4.37Å; L910-H929 PolarHBondContact O-CE1 3.19Å; L910-H929 VanDerWaalsContact O-CE1 3.28Å; C911-H929 VanDerWaalsContact CB-CE1 3.44Å; C911-H929 WeakPolarHBondContact CB-CE1 3.19Å; C911-H929 WeakPolarHBondContact CB-NE2 3.36Å; C911-H929 PolarHBondContact N-CE1 3.35Å; C911-H929 PolarHBondContact N-NE2 3.22Å; C911-H929 PolarHBondContact SG-NE2 2.89Å; H925-H929 AromaticContact CD2-CD2 3.78Å; H925-H929 AromaticContact NE2-CD2 3.41Å; H925-H929 PolarHBondContact NE2-CD2 3.19Å; H925-H929 AromaticContact NE2-NE2 3.6Å; H925-H929 PolarHBondContact O-N 2.69Å; L926-H929 WeakPolarHBondContact O-CB 3.46Å; L926-H929 PolarHBondContact O-N 3Å; S927-H929 PolarHBondContact O-N 3.24Å; H929-S931 PolarHBondContact O-N 3.31Å; H929-H932 PolarHBondContact O-N 3.36Å; H929-K933 PolarHBondContact O-N 2.7Å
930	I	42.8	Very low	47.5	Very low	111 Å²	111	73.3 Å²	73.3	57%	0.569	40%	0.401	S	S	*	.	H	α-helix	trans	-60.8	-26	179	-69.5	163.4	0	0	0	111.2	L926 S927	L926-I930 HydrophobicContact CD2-CD1 4.36Å; L926-I930 HydrophobicContact CG-CD1 3.97Å; L926-I930 WeakPolarHBondContact O-CB 3.35Å; L926-I930 WeakPolarHBondContact O-CD1 3.1Å; L926-I930 VanDerWaalsContact O-CG1 3.25Å; L926-I930 WeakPolarHBondContact O-CG1 3.39Å; L926-I930 PolarHBondContact O-N 3.47Å; S927-I930 PolarHBondContact O-N 2.97Å
931	S	40.3	Very low	45.4	Very low	79 Å²	79	70.5 Å²	70.5	55%	0.552	38%	0.383	S	S	*	.	H	α-helix	trans	-90.4	-23.2	177.4	51.8	0	0	0	0	115.3	S927 A928 H929	S927-S931 WeakPolarHBondContact O-CB 2.93Å; S927-S931 PolarHBondContact O-N 2.78Å; S927-S931 VanDerWaalsContact O-N 3.07Å; S927-S931 PolarHBondContact O-OG 3.32Å; A928-S931 WeakPolarHBondContact CA-OG 3.32Å; A928-S931 PolarHBondContact O-OG 2.96Å; A928-S931 VanDerWaalsContact O-OG 3.06Å; H929-S931 PolarHBondContact O-N 3.31Å
932	H	33.3	Very low	43.2	Very low	163 Å²	163	79.6 Å²	79.6	76%	0.755	41%	0.413	S	S	*	.	H	α-helix	trans	-125.2	12.1	-169.1	-85.6	-79.7	0	0	0	118.2	A928 H929	A928-H932 WeakPolarHBondContact O-CB 3.11Å; A928-H932 PolarHBondContact O-N 3.08Å; A928-H932 VanDerWaalsContact O-N 3.11Å; H929-H932 PolarHBondContact O-N 3.36Å
933	K	27.7	Very low	41.3	Very low	134 Å²	134	80.8 Å²	80.8	58%	0.583	43%	0.427	S	S	*	.			trans	-163.3	133.5	150.8	-123.1	173.4	-176.8	176.8	0	111.7	L313 H929	L313-K933 HydrophobicContact CD1-CG 4.23Å; H929-K933 PolarHBondContact O-N 2.7Å
934	F	26.9	Very low	39.4	Very low	96 Å²	96	83.5 Å²	83.5	42%	0.421	45%	0.446	S	S	.	.				179	132.7	118.6	-109.8	-115	0	0	0	110.4	M311 Q312 L910	M311-F934 WeakPolarHBondContact CB-O 3.38Å; M311-F934 HydrophobicContact CE-CB 3.56Å; M311-F934 WeakPolarHBondContact CE-O 3.49Å; M311-F934 HydrophobicContact SD-CB 3.33Å; M311-F934 WeakPolarHBondContact SD-CB 3.19Å; M311-F934 HydrophobicContact SD-CG 4.47Å; Q312-F934 PolarHBondContact N-O 3.48Å; Q312-F934 CarbonylContact O-C 3.47Å; Q312-F934 VanDerWaalsContact O-O 3.12Å; L910-F934 HydrophobicContact CD2-CE2 4.18Å
935	F	23.8	Very low	37.4	Very low	144 Å²	144	85 Å²	85	63%	0.632	46%	0.455	S	S	*	.			trans	34.1	110.5	135	-70.5	-90.7	0	0	0	123.6	M311 Q312	M311-F935 CarbonylContact C-O 3.13Å; M311-F935 WeakPolarHBondContact CB-O 3.01Å; Q312-F935 PolarHBondContact N-O 3.29Å; Q312-F935 CarbonylContact O-C 3.55Å; Q312-F935 WeakPolarHBondContact O-CA 3.39Å; Q312-F935 PolarHBondContact O-N 2.67Å
936	H	27.8	Very low	34.7	Very low	91 Å²	91	92.9 Å²	92.9	42%	0.421	49%	0.489	S	S	.	.			trans	-63.2	132.3	172.3	-106	-35.8	0	0	0	112.8	M311 Q312 L313 P938	M311-H936 PolarHBondContact O-ND1 2.97Å; Q312-H936 VanDerWaalsContact C-N 3.33Å; Q312-H936 VanDerWaalsContact CA-ND1 3.32Å; Q312-H936 WeakPolarHBondContact CA-ND1 2.91Å; Q312-H936 PolarHBondContact O-N 3.18Å; L313-H936 PolarHBondContact N-CD2 3.4Å; L313-H936 VanDerWaalsContact N-CD2 3.3Å; L313-H936 PolarHBondContact O-CD2 2.84Å; H936-P938 WeakPolarHBondContact O-CD 3.12Å
937	C	28.3	Very low	33.4	Very low	34 Å²	34	99.6 Å²	99.6	23%	0.23	52%	0.524	C	S	.	.			trans	-54.6	114.3	159.7	162.7	0	0	0	0	110.1	C310 C940	C310-C937 WeakPolarHBondContact O-CB 3.41Å; C937-C940 HydrophobicContact CB-CB 3.72Å; C937-C940 WeakPolarHBondContact CB-SG 3.41Å; C937-C940 VanDerWaalsContact O-CB 3.29Å; C937-C940 WeakPolarHBondContact O-CB 3.34Å; C937-C940 PolarHBondContact O-N 3.02Å; C937-C940 WeakPolarHBondContact SG-CB 3.41Å; C937-C940 PolarHBondContact SG-N 3.02Å; C937-C940 CovalentContact SG-SG 2.05Å; C937-C940 PolarHBondContact SG-SG 3.47Å
938	P	32.7	Very low	32	Very low	62 Å²	62	102.5 Å²	102.5	40%	0.403	53%	0.533	S	S	.	.	S	Bend	trans	-86.7	-15.5	-175.4	23	-12	0	0	0	113.4	E337 H936 C940 T941	E337-P938 HydrophobicContact CB-CB 3.82Å; E337-P938 HydrophobicContact CB-CG 4.18Å; E337-P938 WeakPolarHBondContact CB-O 3.04Å; E337-P938 WeakPolarHBondContact OE1-CD 3.21Å; E337-P938 WeakPolarHBondContact OE2-CG 3.34Å; H936-P938 WeakPolarHBondContact O-CD 3.12Å; P938-C940 PolarHBondContact O-N 2.96Å; P938-T941 WeakPolarHBondContact O-CG2 3.47Å
939	V	28.6	Very low	30.5	Very low	54 Å²	54	109.4 Å²	109.4	33%	0.327	55%	0.548	S	S	.	.	S	Bend	trans	-57.1	-33.8	162.1	139.9	0	0	0	0	109.5	E337 R340 T941	E337-V939 VanDerWaalsContact CB-N 3.32Å; E337-V939 HydrophobicContact CG-CB 3.98Å; E337-V939 HydrophobicContact CG-CG2 3.47Å; E337-V939 VanDerWaalsContact CG-CG2 3.47Å; E337-V939 VanDerWaalsContact CG-N 3.34Å; E337-V939 WeakPolarHBondContact OE1-CA 3.5Å; E337-V939 WeakPolarHBondContact OE1-CB 3.41Å; E337-V939 WeakPolarHBondContact OE1-CG2 3.17Å; E337-V939 PolarHBondContact OE1-N 3.39Å; R340-V939 VanDerWaalsContact NH1-CG2 3.25Å; V939-T941 PolarHBondContact O-N 2.9Å
940	C	25.4	Very low	29.2	Very low	69 Å²	69	110.4 Å²	110.4	47%	0.466	56%	0.56	S	S	.	*			trans	-79.1	56.6	-169.5	-56.2	0	0	0	0	111.1	C937 P938 Y942	C937-C940 HydrophobicContact CB-CB 3.72Å; C937-C940 WeakPolarHBondContact CB-SG 3.41Å; C937-C940 VanDerWaalsContact O-CB 3.29Å; C937-C940 WeakPolarHBondContact O-CB 3.34Å; C937-C940 PolarHBondContact O-N 3.02Å; C937-C940 WeakPolarHBondContact SG-CB 3.41Å; C937-C940 PolarHBondContact SG-N 3.02Å; C937-C940 CovalentContact SG-SG 2.05Å; C937-C940 PolarHBondContact SG-SG 3.47Å; P938-C940 PolarHBondContact O-N 2.96Å; C940-Y942 PolarHBondContact O-N 3.41Å
941	T	26.4	Very low	28.3	Very low	42 Å²	42	113.2 Å²	113.2	26%	0.258	57%	0.568	S	S	.	*			trans	-70.8	48.9	172.7	60.1	0	0	0	0	112	R340 M341 P938 V939	R340-T941 HydrophobicContact CB-CG2 4.33Å; M341-T941 HydrophobicContact CE-CG2 4.28Å; M341-T941 HydrophobicContact CG-CG2 3.71Å; M341-T941 HydrophobicContact SD-CG2 3.7Å; P938-T941 WeakPolarHBondContact O-CG2 3.47Å; V939-T941 PolarHBondContact O-N 2.9Å
942	Y	27.6	Very low	27.6	Very low	219 Å²	219	115.4 Å²	115.4	86%	0.859	57%	0.57	S	S	*	*			trans	-160.5	78	149.5	-118.8	-74.1	0	0	0	109.7	C940	C940-Y942 PolarHBondContact O-N 3.41Å
943	A	24.9	Very low	27.4	Very low	47 Å²	47	115.4 Å²	115.4	39%	0.388	57%	0.57	S	S	.	*			trans	-64.3	170.9	163	0	0	0	0	0	110.7
944	T	26.2	Very low	27.4	Very low	120 Å²	120	114.1 Å²	114.1	74%	0.736	57%	0.573	S	S	*	*			trans	65.8	90.6	176.2	70.4	0	0	0	0	116.1
945	N	29.2	Very low	27.5	Very low	146 Å²	146	117.2 Å²	117.2	78%	0.781	59%	0.588	S	S	*	*			trans	-171.9	8.7	135.9	-107.4	-64	0	0	0	116.1
946	F	24.4	Very low	28	Very low	185 Å²	185	114.7 Å²	114.7	81%	0.811	59%	0.589	S	S	*	*	H	α-helix	trans	-76.8	-35.9	-172.4	-147.8	-96.1	0	0	0	115.2	A950	F946-A950 HydrophobicContact CD1-CB 4.49Å; F946-A950 VanDerWaalsContact O-CB 3.28Å; F946-A950 WeakPolarHBondContact O-CB 3.4Å; F946-A950 PolarHBondContact O-N 3.48Å
947	L	30.8	Very low	28.4	Very low	152 Å²	152	113 Å²	113	80%	0.796	59%	0.591	S	S	*	*	H	α-helix	trans	-76.3	-28.5	-166.1	-78.9	167.3	0	0	0	115.9
948	I	29.2	Very low	28.3	Very low	130 Å²	130	120 Å²	120	67%	0.667	62%	0.62	S	S	*	*	H	α-helix	trans	-80.9	-38.3	-175.5	-62.6	179.6	0	0	0	111.7
949	R	29.8	Very low	28.7	Very low	195 Å²	195	122 Å²	122	74%	0.736	63%	0.633	S	S	*	*	H	α-helix	trans	-83.4	-22.7	175.3	-85.3	-176.2	174.1	149.9	1.3	114.5	K951 Q952 H953	R949-K951 PolarHBondContact O-N 2.95Å; R949-Q952 PolarHBondContact O-N 3.11Å; R949-H953 WeakPolarHBondContact O-CB 3.43Å; R949-H953 PolarHBondContact O-N 2.88Å
950	A	28	Very low	28.8	Very low	46 Å²	46	128.3 Å²	128.3	38%	0.38	66%	0.658	S	S	.	*	H	α-helix	trans	-56.3	-36.4	168.1	0	0	0	0	0	112.1	F946	F946-A950 HydrophobicContact CD1-CB 4.49Å; F946-A950 VanDerWaalsContact O-CB 3.28Å; F946-A950 WeakPolarHBondContact O-CB 3.4Å; F946-A950 PolarHBondContact O-N 3.48Å
951	K	23.4	Very low	28.8	Very low	169 Å²	169	130.1 Å²	130.1	74%	0.735	67%	0.672	S	S	*	*	H	α-helix	trans	-71.8	-26	176.1	-162.5	169.6	-174.7	175.6	0	113.8	R949	R949-K951 PolarHBondContact O-N 2.95Å
952	Q	24.6	Very low	28.8	Very low	125 Å²	125	136.6 Å²	136.6	58%	0.584	70%	0.699	S	S	*	*	H	α-helix	trans	-97.4	-32.5	-175.7	-69.9	-178	-26.5	0	0	113.7	R949 V954 H955	R949-Q952 PolarHBondContact O-N 3.11Å; Q952-V954 PolarHBondContact O-N 3.03Å; Q952-H955 PolarHBondContact O-N 3.07Å
953	H	29.9	Very low	28.8	Very low	163 Å²	163	134.3 Å²	134.3	76%	0.755	70%	0.696	S	S	*	*	H	α-helix	trans	-71.5	-16.2	-176.6	-163.8	42.6	0	0	0	113.9	R949	R949-H953 WeakPolarHBondContact O-CB 3.43Å; R949-H953 PolarHBondContact O-N 2.88Å
954	V	26.6	Very low	28.8	Very low	107 Å²	107	137.8 Å²	137.8	65%	0.648	71%	0.713	S	S	*	*	S	Bend	trans	-101.6	-15.1	177.1	-174.2	0	0	0	0	112.5	Q952	Q952-V954 PolarHBondContact O-N 3.03Å
955	H	31.1	Very low	28.6	Very low	161 Å²	161	142.5 Å²	142.5	75%	0.745	72%	0.717	S	S	*	*	S	Bend	trans	-98.6	20.4	179.4	-84.1	62.1	0	0	0	114	Q952	Q952-H955 PolarHBondContact O-N 3.07Å
956	S	33.6	Very low	28.3	Very low	92 Å²	92	142.8 Å²	142.8	64%	0.643	72%	0.717	S	S	*	*			trans	-138.1	60.4	160.2	64.6	0	0	0	0	108.5
957	A	35.1	Very low	28.2	Very low	56 Å²	56	140.5 Å²	140.5	46%	0.463	71%	0.712	S	S	.	*			cis	58.1	137.9	46.1	0	0	0	0	0	112.7
958	H	27.5	Very low	27.7	Very low	179 Å²	179	139.3 Å²	139.3	83%	0.829	72%	0.715	S	S	*	*			trans	65.1	158.7	-160.6	-57.5	-74.2	0	0	0	112.3
959	P	40	Very low	27.3	Very low	106 Å²	106	138 Å²	138	69%	0.688	72%	0.716	S	S	*	*	S	Bend	cis	-113.5	146	11.2	39.4	-27.8	0	0	0	115.7	S961	P959-S961 PolarHBondContact O-N 2.87Å
960	H	30.6	Very low	27.1	Very low	185 Å²	185	134.4 Å²	134.4	86%	0.856	72%	0.718	S	S	*	*	S	Bend	trans	54.1	40.6	164.4	-57.9	-70.1	0	0	0	118.2
961	S	25.2	Very low	27.4	Very low	107 Å²	107	136.3 Å²	136.3	75%	0.748	73%	0.727	S	S	*	*			trans	-96.1	85.7	153.9	61.8	0	0	0	0	110.1	P959	P959-S961 PolarHBondContact O-N 2.87Å
962	Q	28	Very low	27.6	Very low	179 Å²	179	135.7 Å²	135.7	84%	0.836	73%	0.731	S	S	*	*			trans	-68	163.5	147.9	-69.6	174.6	-19.5	0	0	107.7
963	E	27.7	Very low	27.7	Very low	170 Å²	170	132.8 Å²	132.8	79%	0.794	74%	0.735	S	S	*	*			trans	68.1	91.5	-169	-52	160.9	-162	0	0	111.1
964	T	24.1	Very low	27.6	Very low	120 Å²	120	130.5 Å²	130.5	74%	0.736	73%	0.726	S	S	*	*				45.3	128.7	77.2	80.5	0	0	0	0	113.2
965	R	22.9	Very low	27.9	Very low	219 Å²	219	131.6 Å²	131.6	83%	0.826	72%	0.722	S	S	*	*			cis	-130	143.5	25.2	-57	173.4	-172.1	-177.7	1	109.2
966	I	21.6	Very low	27.8	Very low	152 Å²	152	126.3 Å²	126.3	78%	0.779	71%	0.711	S	S	*	*				32.1	117.7	90.2	-40	176	0	0	0	112.8
967	I	22.5	Very low	27.7	Very low	138 Å²	138	126.8 Å²	126.8	71%	0.708	71%	0.705	S	S	*	*			trans	158.5	125.9	139.3	-84.3	158.5	0	0	0	108.6	C969	I967-C969 WeakPolarHBondContact CG2-O 3.23Å
968	C	20.9	Very low	27.6	Very low	126 Å²	126	129.1 Å²	129.1	85%	0.851	71%	0.707	S	S	*	*	S	Bend	trans	-77.5	142.9	165	-56.4	0	0	0	0	108.9
969	C	21.3	Very low	27.9	Very low	102 Å²	102	126.3 Å²	126.3	69%	0.689	69%	0.694	S	S	*	*			trans	67.1	121.5	-171.4	-56.2	0	0	0	0	114.3	I967	I967-C969 WeakPolarHBondContact CG2-O 3.23Å
970	P	24.7	Very low	27.6	Very low	120 Å²	120	125.1 Å²	125.1	78%	0.779	68%	0.682	S	S	*	*				-94.9	147.9	110.6	-25.1	36.8	0	0	0	112.9	D972	P970-D972 PolarHBondContact O-N 2.8Å
971	P	33.3	Very low	28	Very low	87 Å²	87	120.3 Å²	120.3	57%	0.565	66%	0.656	S	S	*	*	S	Bend	trans	-105.1	55.6	-157.3	41.4	-37.2	0	0	0	116
972	D	28.9	Very low	28.8	Very low	156 Å²	156	118.6 Å²	118.6	83%	0.834	64%	0.641	S	S	*	*			trans	-107.5	-1.3	173.9	-83.9	-58.4	0	0	0	114.8	P970 M974	P970-D972 PolarHBondContact O-N 2.8Å; D972-M974 PolarHBondContact O-N 3.34Å
973	G	26.6	Very low	29.2	Very low	63 Å²	63	117.4 Å²	117.4	65%	0.649	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-1.7	171	0	0	0	0	0	114.7	K975	G973-K975 PolarHBondContact O-N 3.14Å
974	M	26.5	Very low	29.6	Very low	116 Å²	116	110.7 Å²	110.7	57%	0.571	60%	0.604	S	S	*	*	H	α-helix	trans	-74.4	-24.1	-166.3	-62.1	-149.2	-61.9	0	0	114.8	D972 G976 L977 Q978	D972-M974 PolarHBondContact O-N 3.34Å; M974-G976 VanDerWaalsContact C-N 3.3Å; M974-G976 PolarHBondContact O-N 3.44Å; M974-L977 PolarHBondContact O-N 2.99Å; M974-Q978 WeakPolarHBondContact O-CG 3.21Å; M974-Q978 PolarHBondContact O-N 3.19Å
975	K	33.5	Very low	30.2	Very low	129 Å²	129	106 Å²	106	56%	0.561	57%	0.574	S	S	*	*	H	α-helix	trans	-62.1	-36.3	177.6	-69.7	-166	178.5	-171	0	112.5	E772 G973 Q978 E979	E772-K975 IonicContact OE1-NZ 3.81Å; E772-K975 PolarHBondContact OE1-NZ 2.89Å; E772-K975 IonicContact OE2-NZ 2.77Å; G973-K975 PolarHBondContact O-N 3.14Å; K975-Q978 PolarHBondContact O-N 2.78Å; K975-E979 PolarHBondContact O-N 2.86Å
976	G	30.1	Very low	30.4	Very low	50 Å²	50	98.1 Å²	98.1	52%	0.515	56%	0.561	S	S	.	*	H	α-helix	trans	-67.2	-35.6	174.8	0	0	0	0	0	113.6	M974 Q978 L980	M974-G976 VanDerWaalsContact C-N 3.3Å; M974-G976 PolarHBondContact O-N 3.44Å; G976-Q978 VanDerWaalsContact C-N 3.35Å; G976-L980 PolarHBondContact O-N 2.64Å
977	L	31.2	Very low	30.9	Very low	102 Å²	102	97.3 Å²	97.3	53%	0.534	56%	0.558	S	S	.	*	H	α-helix	trans	-71.1	-29.7	172.8	-102.5	69.4	0	0	0	112.3	M974 L980 R981	M974-L977 PolarHBondContact O-N 2.99Å; L977-L980 WeakPolarHBondContact O-CB 3.41Å; L977-L980 PolarHBondContact O-N 2.8Å; L977-R981 PolarHBondContact O-N 2.74Å
978	Q	33.4	Very low	31.1	Very low	105 Å²	105	99 Å²	99	49%	0.491	57%	0.565	S	S	.	*	H	α-helix	trans	-69.8	-30.4	176	-75.5	174	-40.9	0	0	112.9	M974 K975 G976 R981	M974-Q978 WeakPolarHBondContact O-CG 3.21Å; M974-Q978 PolarHBondContact O-N 3.19Å; K975-Q978 PolarHBondContact O-N 2.78Å; G976-Q978 VanDerWaalsContact C-N 3.35Å; Q978-R981 WeakPolarHBondContact O-CB 3.36Å; Q978-R981 PolarHBondContact O-N 2.76Å
979	E	33.6	Very low	31.2	Very low	120 Å²	120	99.2 Å²	99.2	56%	0.561	56%	0.563	S	S	*	*	H	α-helix	trans	-71.6	-30.9	167.7	-70.9	-169.9	-166.5	0	0	112.9	K975 V982 K983	K975-E979 PolarHBondContact O-N 2.86Å; E979-V982 PolarHBondContact O-N 2.89Å; E979-K983 PolarHBondContact O-N 2.96Å
980	L	33.5	Very low	31.3	Very low	82 Å²	82	99.5 Å²	99.5	43%	0.429	57%	0.566	S	S	.	*	H	α-helix	trans	-71.1	-33.7	173.9	-135.8	79.2	0	0	0	112.1	G976 L977 V982 K983 C984	G976-L980 PolarHBondContact O-N 2.64Å; L977-L980 WeakPolarHBondContact O-CB 3.41Å; L977-L980 PolarHBondContact O-N 2.8Å; L980-V982 VanDerWaalsContact C-N 3.27Å; L980-V982 PolarHBondContact O-N 3.24Å; L980-K983 PolarHBondContact O-N 2.89Å; L980-C984 PolarHBondContact O-N 2.89Å; L980-C984 PolarHBondContact O-SG 2.67Å
981	R	37.9	Very low	31.2	Very low	84 Å²	84	98.2 Å²	98.2	32%	0.317	55%	0.552	S	S	.	*	H	α-helix	trans	-53.6	-43.4	172.4	179.8	-175.6	-72.2	-141.1	-8	111.3	D919 F922 L977 Q978 K983 F985	D919-R981 IonicContact OD1-CZ 2.6Å; D919-R981 IonicContact OD1-NH1 3.2Å; D919-R981 PolarHBondContact OD1-NH1 3.16Å; D919-R981 IonicContact OD1-NH2 2.7Å; D919-R981 PolarHBondContact OD1-NH2 3.07Å; F922-R981 HydrophobicContact CE1-CG 4.03Å; F922-R981 HydrophobicContact CZ-CG 3.98Å; L977-R981 PolarHBondContact O-N 2.74Å; Q978-R981 WeakPolarHBondContact O-CB 3.36Å; Q978-R981 PolarHBondContact O-N 2.76Å; R981-K983 VanDerWaalsContact C-N 3.35Å; R981-F985 PolarHBondContact O-N 2.95Å
982	V	42.5	Very low	30.8	Very low	71 Å²	71	99.1 Å²	99.1	43%	0.43	56%	0.558	S	S	.	*	H	α-helix	trans	-73.6	-21.3	178.5	175.2	0	0	0	0	113.4	E979 L980 F985	E979-V982 PolarHBondContact O-N 2.89Å; L980-V982 VanDerWaalsContact C-N 3.27Å; L980-V982 PolarHBondContact O-N 3.24Å; V982-F985 CarbonylContact C-O 3.57Å
983	K	36.9	Very low	30.6	Very low	153 Å²	153	92.9 Å²	92.9	67%	0.665	53%	0.531	S	S	*	.	H	α-helix	trans	-96.1	-27.8	-179.1	-73.7	168.6	179.9	158.7	0	114	E979 L980 R981	E979-K983 PolarHBondContact O-N 2.96Å; L980-K983 PolarHBondContact O-N 2.89Å; R981-K983 VanDerWaalsContact C-N 3.35Å
984	C	35.9	Very low	30.3	Very low	29 Å²	29	93.9 Å²	93.9	20%	0.196	52%	0.524	C	S	.	.	H	α-helix	trans	-84	-28.4	177.9	-60.6	0	0	0	0	112.9	L926 L980	L926-C984 HydrophobicContact CD1-CB 4.33Å; L980-C984 PolarHBondContact O-N 2.89Å; L980-C984 PolarHBondContact O-SG 2.67Å
985	F	35.7	Very low	30.1	Very low	22 Å²	22	92.5 Å²	92.5	10%	0.096	52%	0.523	C	S	.	.	S	Bend	trans	-126.3	104.4	172.4	-66.4	-108	0	0	0	105.7	V906 C908 F922 L926 R981 V982	V906-F985 HydrophobicContact CB-CE1 4.33Å; V906-F985 HydrophobicContact CG1-CD1 3.47Å; V906-F985 VanDerWaalsContact CG1-CD1 3.47Å; V906-F985 HydrophobicContact CG1-CE1 3.66Å; C908-F985 VanDerWaalsContact CA-CE1 3.42Å; C908-F985 HydrophobicContact CB-CE1 3.71Å; C908-F985 HydrophobicContact CB-CE2 4.47Å; C908-F985 HydrophobicContact CB-CZ 3.52Å; C908-F985 WeakPolarHBondContact SG-CZ 3.08Å; F922-F985 HydrophobicContact CD2-CE2 4.24Å; F922-F985 HydrophobicContact CD2-CZ 4.12Å; F922-F985 HydrophobicContact CE1-CE2 4.4Å; F922-F985 HydrophobicContact CE2-CD1 4.1Å; F922-F985 AromaticContact CE2-CD2 3.46Å; F922-F985 HydrophobicContact CE2-CD2 3.46Å; F922-F985 VanDerWaalsContact CE2-CD2 3.46Å; F922-F985 AromaticContact CE2-CE1 3.9Å; F922-F985 HydrophobicContact CE2-CE1 3.9Å; F922-F985 AromaticContact CE2-CE2 3.27Å; F922-F985 HydrophobicContact CE2-CE2 3.27Å; F922-F985 AromaticContact CE2-CG 3.88Å; F922-F985 HydrophobicContact CE2-CG 3.88Å; F922-F985 AromaticContact CE2-CZ 3.48Å; F922-F985 HydrophobicContact CE2-CZ 3.48Å; F922-F985 VanDerWaalsContact CE2-CZ 3.48Å; F922-F985 AromaticContact CZ-CD2 3.4Å; F922-F985 HydrophobicContact CZ-CD2 3.4Å; F922-F985 VanDerWaalsContact CZ-CD2 3.4Å; F922-F985 AromaticContact CZ-CE2 3.38Å; F922-F985 HydrophobicContact CZ-CE2 3.38Å; F922-F985 HydrophobicContact CZ-CG 4.16Å; F922-F985 HydrophobicContact CZ-CZ 4.08Å; L926-F985 HydrophobicContact CD1-CE2 4.46Å; R981-F985 PolarHBondContact O-N 2.95Å; V982-F985 CarbonylContact C-O 3.57Å
986	G	28.5	Very low	29.6	Very low	54 Å²	54	91.2 Å²	91.2	56%	0.557	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-59.9	147.5	-172.6	0	0	0	0	0	112.3	M988	G986-M988 PolarHBondContact O-N 3.21Å
987	N	32.3	Very low	29.3	Very low	135 Å²	135	98.4 Å²	98.4	72%	0.722	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-50.3	136.3	174.2	-89.1	-6.1	0	0	0	111	T989	N987-T989 PolarHBondContact O-N 2.69Å
988	M	24.9	Very low	28.9	Very low	173 Å²	173	99.5 Å²	99.5	85%	0.852	54%	0.544	S	S	*	.	S	Bend	trans	-53.5	120.6	179.1	-59.2	-73.9	-146.9	0	0	110.6	G986	G986-M988 PolarHBondContact O-N 3.21Å
989	T	24.7	Very low	28.5	Very low	130 Å²	130	99.3 Å²	99.3	80%	0.798	55%	0.55	S	S	*	*			trans	27.8	126.4	151.2	55.8	0	0	0	0	118.6	N987	N987-T989 PolarHBondContact O-N 2.69Å
990	S	22.6	Very low	27.8	Very low	108 Å²	108	97.1 Å²	97.1	76%	0.755	55%	0.545	S	S	*	.			cis	-168	163.5	22.5	53.9	0	0	0	0	114.6
991	N	22	Very low	27.1	Very low	94 Å²	94	97.4 Å²	97.4	50%	0.503	56%	0.559	S	S	.	*			trans	-31	166.1	156.8	-52.5	32.1	0	0	0	115.3	E1296	N991-E1296 WeakPolarHBondContact CA-OE1 3.48Å
992	P	25.9	Very low	26.3	Very low	105 Å²	105	96 Å²	96	68%	0.682	56%	0.562	S	S	*	*			cis	-153.7	160.2	28.6	42.4	-20.8	0	0	0	121.7	E1296 L1297	P992-E1296 WeakPolarHBondContact CA-OE2 3.3Å; P992-L1297 HydrophobicContact CB-CD1 4.32Å; P992-L1297 HydrophobicContact CB-CD2 4.36Å; P992-L1297 HydrophobicContact CB-CG 4.41Å
993	G	23.6	Very low	25.2	Very low	26 Å²	26	96.1 Å²	96.1	27%	0.268	58%	0.578	S	S	.	*			trans	72.1	143.1	134.9	0	0	0	0	0	121	D1295 E1296 L1297	G993-D1295 CarbonylContact C-O 3.52Å; G993-D1295 VanDerWaalsContact C-O 3.31Å; G993-E1296 VanDerWaalsContact C-N 3.34Å; G993-E1296 PolarHBondContact N-OE2 2.84Å; G993-L1297 VanDerWaalsContact CA-CG 3.44Å
994	T	21.4	Very low	24.4	Very low	83 Å²	83	92 Å²	92	51%	0.509	58%	0.579	S	S	.	*			cis	-158.9	146.9	-1	-26.1	0	0	0	0	110	D1295 E1296 L1297	T994-D1295 CarbonylContact C-O 3.53Å; T994-D1295 PolarHBondContact N-O 3.39Å; T994-E1296 CarbonylContact C-O 3.37Å; T994-E1296 WeakPolarHBondContact CA-O 3.43Å; T994-E1296 VanDerWaalsContact N-N 3.17Å; T994-L1297 HydrophobicContact CG2-CB 3.79Å; T994-L1297 HydrophobicContact CG2-CD1 4.1Å
995	T	22	Very low	23.7	Very low	87 Å²	87	101.6 Å²	101.6	53%	0.534	61%	0.611	S	S	.	*			trans	9	145.4	147.9	62.7	0	0	0	0	119.2	E1296	T995-E1296 PolarHBondContact N-O 2.78Å
996	T	23.2	Very low	23	Very low	103 Å²	103	103.8 Å²	103.8	63%	0.632	64%	0.64	S	S	*	*				-178.1	-179.7	58.4	-21.4	0	0	0	0	111.8
997	R	22.7	Very low	22.7	Very low	201 Å²	201	110.9 Å²	110.9	76%	0.758	65%	0.65	S	S	*	*			trans	2.5	150.3	133.2	-68.8	174.9	-170.8	129.1	-0.7	118.1
998	D	24.7	Very low	22.1	Very low	124 Å²	124	115 Å²	115	66%	0.663	66%	0.655	S	S	*	*			cis	-148.4	141.4	39	-116	-46.8	0	0	0	117
999	T	23.4	Very low	22.2	Very low	102 Å²	102	111.5 Å²	111.5	63%	0.626	65%	0.654	S	S	*	*				0.1	162	123.9	-21	0	0	0	0	120.5
1000	T	20.2	Very low	22.1	Very low	74 Å²	74	110.4 Å²	110.4	45%	0.454	65%	0.649	S	S	.	*			trans	66	121.7	162.2	43.7	0	0	0	0	116.5
1001	A	19.1	Very low	22.2	Very low	87 Å²	87	110.1 Å²	110.1	72%	0.719	65%	0.653	S	S	*	*				69.8	-170.9	63.2	0	0	0	0	0	113	G1003	A1001-G1003 PolarHBondContact O-N 3.34Å
1002	S	20.1	Very low	22.5	Very low	54 Å²	54	108.6 Å²	108.6	38%	0.378	66%	0.66	S	S	.	*			trans	55.5	53.8	156.1	-42.4	0	0	0	0	118.1	S1054 N1055	S1002-S1054 VanDerWaalsContact CB-N 3.32Å; S1002-S1054 VanDerWaalsContact OG-C 3.24Å; S1002-N1055 PolarHBondContact OG-N 3.28Å; S1002-N1055 PolarHBondContact OG-O 3.1Å
1003	G	19.5	Very low	22.6	Very low	74 Å²	74	108.1 Å²	108.1	76%	0.763	66%	0.659	S	S	*	*			trans	-173.2	118.6	166.2	0	0	0	0	0	110.5	A1001	A1001-G1003 PolarHBondContact O-N 3.34Å
1004	G	20.9	Very low	23	Very low	68 Å²	68	113 Å²	113	70%	0.701	68%	0.679	S	S	*	*			cis	84.4	157.9	21.8	0	0	0	0	0	110.5
1005	R	21.6	Very low	23.5	Very low	229 Å²	229	117.6 Å²	117.6	86%	0.864	70%	0.695	S	S	*	*			trans	66	105.1	-164.8	-43.7	177.1	-172.7	-148.3	-1.5	109.6
1006	G	20	Very low	24.4	Very low	68 Å²	68	117.8 Å²	117.8	70%	0.701	70%	0.7	S	S	*	*			cis	65.8	139.1	35	0	0	0	0	0	109
1007	R	21.1	Very low	25	Very low	203 Å²	203	121.8 Å²	121.8	77%	0.766	71%	0.708	S	S	*	*			cis	-161	149.4	46.5	-86.1	175.8	175	-136.4	-7.7	111
1008	R	20.6	Very low	25.5	Very low	222 Å²	222	118.4 Å²	118.4	84%	0.838	71%	0.71	S	S	*	*				37.3	95.6	124.7	-169.7	-165.6	-78.7	-166.4	-6.9	115.9
1009	A	27.2	Very low	25.9	Very low	99 Å²	99	115.9 Å²	115.9	82%	0.818	71%	0.706	S	S	*	*			trans	-127.9	139.6	150.5	0	0	0	0	0	106.8
1010	P	23.5	Very low	26.1	Very low	107 Å²	107	115.6 Å²	115.6	70%	0.695	71%	0.706	S	S	*	*				-131.9	-169.8	-109.6	42.3	-30.2	0	0	0	113.8
1011	A	23.4	Very low	26.8	Very low	102 Å²	102	116.5 Å²	116.5	84%	0.843	71%	0.707	S	S	*	*			trans	53	137.2	148.2	0	0	0	0	0	119.8
1012	G	29.4	Very low	27.5	Very low	63 Å²	63	114 Å²	114	65%	0.649	68%	0.683	S	S	*	*			trans	119.5	55.3	-163.3	0	0	0	0	0	109.5
1013	S	26.8	Very low	28.1	Very low	95 Å²	95	113.3 Å²	113.3	66%	0.664	68%	0.684	S	S	*	*				69.1	152.1	60.5	80.3	0	0	0	0	113.3
1014	D	32.3	Very low	28.3	Very low	128 Å²	128	109.8 Å²	109.8	68%	0.684	65%	0.647	S	S	*	*			trans	72.4	105.7	160.6	-48.2	-42.8	0	0	0	119
1015	E	32.5	Very low	28.3	Very low	179 Å²	179	110.8 Å²	110.8	84%	0.836	63%	0.63	S	S	*	*				83.8	160.1	125.9	-68.9	-164.8	118.2	0	0	122.6
1016	S	40	Very low	28.2	Very low	91 Å²	91	102.9 Å²	102.9	64%	0.636	61%	0.61	S	S	*	*			trans	68.1	81.6	150.6	-68.8	0	0	0	0	119.3
1017	K	35.1	Very low	28.2	Very low	187 Å²	187	103.4 Å²	103.4	81%	0.813	60%	0.603	S	S	*	*				63.5	125.8	112.8	-74.4	175.9	177.7	174.1	0	119.5
1018	V	34.4	Very low	28.3	Very low	130 Å²	130	96.1 Å²	96.1	79%	0.788	58%	0.581	S	S	*	*				66.2	111.5	128	-176.3	0	0	0	0	117
1019	A	33.5	Very low	28.3	Very low	71 Å²	71	89.8 Å²	89.8	59%	0.587	57%	0.571	S	S	*	*			trans	-5.2	176.6	132.6	0	0	0	0	0	119.9
1020	P	27.2	Very low	27.9	Very low	97 Å²	97	88.6 Å²	88.6	63%	0.63	56%	0.555	S	S	*	*			cis	-122	-130.4	-12	17.7	7.8	0	0	0	108.5
1021	I	34.7	Very low	27.8	Very low	93 Å²	93	86.4 Å²	86.4	48%	0.477	54%	0.539	S	S	.	.			trans	78	92.3	143.8	-74.3	169.9	0	0	0	115.2	R1893	I1021-R1893 HydrophobicContact CG2-CG 3.86Å; I1021-R1893 VanDerWaalsContact O-CZ 3.27Å; I1021-R1893 PolarHBondContact O-NE 3.4Å; I1021-R1893 PolarHBondContact O-NH2 2.89Å
1022	V	34.2	Very low	27.8	Very low	35 Å²	35	83.2 Å²	83.2	21%	0.212	51%	0.508	C	S	.	.			cis	-143.6	-172.5	-2.7	173.4	0	0	0	0	107.2	V1024 E1892 R1893	V1022-V1024 HydrophobicContact CB-CG2 4.21Å; V1022-V1024 HydrophobicContact CG1-CG2 4.37Å; V1022-E1892 HydrophobicContact CG1-CB 3.86Å; V1022-E1892 HydrophobicContact CG1-CG 3.6Å; V1022-E1892 WeakPolarHBondContact CG1-OE1 3.42Å; V1022-R1893 HydrophobicContact CB-CG 3.8Å; V1022-R1893 HydrophobicContact CG2-CB 4.22Å; V1022-R1893 HydrophobicContact CG2-CG 3.52Å
1023	G	31.6	Very low	27.3	Very low	38 Å²	38	83 Å²	83	39%	0.392	49%	0.492	S	S	.	.			trans	-53.4	-141.8	137.4	0	0	0	0	0	111.2	S1888	G1023-S1888 CarbonylContact C-O 3.43Å
1024	V	24.5	Very low	27.1	Very low	0 Å²	0	79.6 Å²	79.6	0%	0	47%	0.468	C	S	.	.			trans	147.4	-7.5	174.9	157.5	0	0	0	0	115.4	V1022 I1887 S1888 A1889 A1890 Y1891 E1892 R1893	V1022-V1024 HydrophobicContact CB-CG2 4.21Å; V1022-V1024 HydrophobicContact CG1-CG2 4.37Å; V1024-I1887 WeakPolarHBondContact CG1-O 3.39Å; V1024-S1888 VanDerWaalsContact CG1-CA 3.46Å; V1024-A1889 VanDerWaalsContact CB-CA 3.47Å; V1024-A1889 VanDerWaalsContact CB-N 3.28Å; V1024-A1890 VanDerWaalsContact CG1-C 3.48Å; V1024-A1890 VanDerWaalsContact CG2-C 3.43Å; V1024-Y1891 WeakPolarHBondContact O-CB 3.38Å; V1024-E1892 WeakPolarHBondContact CA-OE2 3.44Å; V1024-E1892 HydrophobicContact CB-CB 4.03Å; V1024-E1892 HydrophobicContact CG2-CB 3.68Å; V1024-E1892 PolarHBondContact N-OE2 2.86Å; V1024-R1893 HydrophobicContact CG2-CB 4.27Å; V1024-R1893 HydrophobicContact CG2-CG 4.23Å
1025	R	20.3	Very low	26.5	Very low	89 Å²	89	78.4 Å²	78.4	34%	0.336	46%	0.462	S	S	.	.	S	Bend	trans	81.8	134.5	-176	-33.3	136.8	-172.1	-131.9	-1.9	114.4	T1835 I1887 S1888 Y1891	R1025-T1835 PolarHBondContact NH1-OG1 2.93Å; R1025-I1887 CarbonylContact O-C 3.51Å; R1025-S1888 PolarHBondContact N-OG 3.27Å; R1025-S1888 WeakPolarHBondContact O-CA 3.38Å; R1025-S1888 WeakPolarHBondContact O-CB 3.37Å; R1025-S1888 PolarHBondContact O-N 3.21Å; R1025-S1888 PolarHBondContact O-OG 3.14Å; R1025-Y1891 VanDerWaalsContact CZ-CD1 3.48Å; R1025-Y1891 VanDerWaalsContact CZ-CE1 3.42Å
1026	S	20.8	Very low	26.1	Very low	63 Å²	63	75.8 Å²	75.8	44%	0.441	45%	0.454	S	S	.	.			trans	90.8	76.7	156.8	-38.7	0	0	0	0	120	T1884 S1888	S1026-T1884 CarbonylContact O-C 3.38Å; S1026-T1884 WeakPolarHBondContact O-CB 3.46Å; S1026-S1888 PolarHBondContact N-OG 2.94Å
1027	S	20	Very low	25.1	Very low	79 Å²	79	77 Å²	77	55%	0.552	45%	0.447	S	S	*	.				87.1	131.6	125.6	-50.9	0	0	0	0	121.5	T1884 K1885	S1027-T1884 CarbonylContact O-C 3.54Å; S1027-T1884 VanDerWaalsContact O-CB 3.27Å; S1027-T1884 WeakPolarHBondContact O-CB 3.44Å; S1027-T1884 PolarHBondContact O-OG1 3.48Å; S1027-K1885 WeakPolarHBondContact O-CG 3.28Å; S1027-K1885 PolarHBondContact O-N 2.88Å
1028	T	21.7	Very low	24.3	Very low	51 Å²	51	72.8 Å²	72.8	31%	0.313	45%	0.447	S	S	.	.			trans	-48	160.9	-178.2	50.2	0	0	0	0	116.3	N1033 T1884	T1028-N1033 WeakPolarHBondContact CB-ND2 3.19Å; T1028-N1033 PolarHBondContact OG1-ND2 3.15Å; T1028-T1884 PolarHBondContact O-OG1 2.84Å
1029	S	21.8	Very low	23.6	Very low	89 Å²	89	71.6 Å²	71.6	62%	0.622	45%	0.445	S	S	*	.			cis	-65.4	-179.5	10.4	-56	0	0	0	0	116.6	K1885	S1029-K1885 WeakPolarHBondContact O-CD 3.32Å; S1029-K1885 WeakPolarHBondContact O-CE 3.34Å; S1029-K1885 WeakPolarHBondContact O-CG 3.36Å; S1029-K1885 PolarHBondContact O-NZ 2.82Å
1030	P	19	Very low	23	Very low	74 Å²	74	71.7 Å²	71.7	48%	0.481	44%	0.442	S	S	.	.	S	Bend	cis	-96.1	-154.7	-19.2	42.2	-35.1	0	0	0	110.2	K1885	P1030-K1885 PolarHBondContact O-NZ 3.39Å
1031	V	20.7	Very low	22.9	Very low	61 Å²	61	71.7 Å²	71.7	37%	0.37	44%	0.444	S	S	.	.	S	Bend	trans	67.6	90.1	-153.5	-170.7	0	0	0	0	106	N1033 K1037 D1075	V1031-N1033 WeakPolarHBondContact O-CA 3.43Å; V1031-N1033 PolarHBondContact O-N 2.84Å; V1031-N1033 PolarHBondContact O-OD1 3.08Å; V1031-K1037 HydrophobicContact CG1-CD 4.44Å; V1031-K1037 HydrophobicContact CG1-CG 4.33Å; V1031-D1075 WeakPolarHBondContact CA-OD2 3.47Å; V1031-D1075 WeakPolarHBondContact CG1-OD2 3.49Å
1032	N	22.5	Very low	22.4	Very low	34 Å²	34	69.1 Å²	69.1	18%	0.182	43%	0.432	C	S	.	.			trans	-62.5	109.5	-163.6	-46.4	-117.2	0	0	0	108.2	S1034 D1075 S1077	N1032-S1034 PolarHBondContact O-N 2.87Å; N1032-D1075 PolarHBondContact N-OD1 3.26Å; N1032-D1075 PolarHBondContact N-OD2 3.33Å; N1032-D1075 PolarHBondContact ND2-OD1 3.05Å; N1032-D1075 PolarHBondContact O-N 3.46Å; N1032-S1077 VanDerWaalsContact ND2-CB 3.34Å; N1032-S1077 WeakPolarHBondContact ND2-CB 3.43Å; N1032-S1077 PolarHBondContact ND2-N 2.91Å; N1032-S1077 PolarHBondContact ND2-OG 3.06Å; N1032-S1077 WeakPolarHBondContact OD1-CB 3.33Å
1033	N	20.6	Very low	21.9	Very low	60 Å²	60	71.3 Å²	71.3	32%	0.321	44%	0.443	S	S	.	.			trans	-52.1	105.6	-145.4	-60.7	35	0	0	0	114.5	T1028 V1031 N1035	T1028-N1033 WeakPolarHBondContact CB-ND2 3.19Å; T1028-N1033 PolarHBondContact OG1-ND2 3.15Å; V1031-N1033 WeakPolarHBondContact O-CA 3.43Å; V1031-N1033 PolarHBondContact O-N 2.84Å; V1031-N1033 PolarHBondContact O-OD1 3.08Å; N1033-N1035 HydrophobicContact CB-CB 4.03Å; N1033-N1035 WeakPolarHBondContact CB-OD1 3.11Å; N1033-N1035 PolarHBondContact ND2-OD1 2.83Å
1034	S	22	Very low	21.5	Very low	23 Å²	23	73.2 Å²	73.2	16%	0.161	45%	0.45	C	S	.	.				-88.4	133	100.2	-81.3	0	0	0	0	108.1	N1032	N1032-S1034 PolarHBondContact O-N 2.87Å
1035	N	19.9	Very low	21.5	Very low	103 Å²	103	82 Å²	82	55%	0.551	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	cis	41.2	57.5	14.3	-74.4	77.3	0	0	0	114.2	N1033	N1033-N1035 HydrophobicContact CB-CB 4.03Å; N1033-N1035 WeakPolarHBondContact CB-OD1 3.11Å; N1033-N1035 PolarHBondContact ND2-OD1 2.83Å
1036	D	22.7	Very low	21.4	Very low	124 Å²	124	85.7 Å²	85.7	66%	0.663	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	cis	-130.7	126.6	-11	-74.3	-68.9	0	0	0	108.6
1037	K	19.6	Very low	21.6	Very low	115 Å²	115	88.6 Å²	88.6	50%	0.5	53%	0.532	S	S	.	.				65.7	57.5	67.7	-148.3	169.3	-179.9	-69.9	0	113	V1031	V1031-K1037 HydrophobicContact CG1-CD 4.44Å; V1031-K1037 HydrophobicContact CG1-CG 4.33Å
1038	A	19	Very low	21.9	Very low	99 Å²	99	90.7 Å²	90.7	82%	0.818	54%	0.542	S	S	*	.			trans	53.6	94	155.4	0	0	0	0	0	116.5
1039	S	20.1	Very low	22.2	Very low	106 Å²	106	95.2 Å²	95.2	74%	0.741	56%	0.564	S	S	*	*			trans	-148.7	56.1	172.8	-52.8	0	0	0	0	112.8
1040	S	20.8	Very low	22.3	Very low	73 Å²	73	96.5 Å²	96.5	51%	0.51	57%	0.573	S	S	.	*	S	Bend	trans	-158.5	131	159.3	65.7	0	0	0	0	109.5
1041	S	24.5	Very low	22.6	Very low	97 Å²	97	96.7 Å²	96.7	68%	0.678	59%	0.588	S	S	*	*			trans	61.6	138.2	-162.4	99	0	0	0	0	111.3
1042	T	24.6	Very low	22.7	Very low	38 Å²	38	100.9 Å²	100.9	23%	0.233	61%	0.608	C	S	.	*			cis	61	139.9	41.4	83.9	0	0	0	0	114.7	N1427	T1042-N1427 HydrophobicContact CG2-CB 3.59Å; T1042-N1427 WeakPolarHBondContact CG2-ND2 3.38Å
1043	D	22.6	Very low	22.7	Very low	81 Å²	81	105.2 Å²	105.2	43%	0.433	63%	0.632	S	S	.	*			trans	72.5	99.3	154.5	-71.1	-65.8	0	0	0	122.4	S1429	D1043-S1429 WeakPolarHBondContact OD2-CA 3.47Å; D1043-S1429 WeakPolarHBondContact OD2-CB 3.32Å
1044	S	22.9	Very low	22.8	Very low	79 Å²	79	104.7 Å²	104.7	55%	0.552	63%	0.633	S	S	*	*				71.6	112.9	100.5	-63.4	0	0	0	0	119.9
1045	K	24.6	Very low	22.8	Very low	183 Å²	183	109.8 Å²	109.8	80%	0.796	66%	0.658	S	S	*	*			trans	70.8	100.5	131.2	-62.5	170.8	-175.4	172.4	0	116.6	P1047	K1045-P1047 VanDerWaalsContact O-CD 3.27Å; K1045-P1047 WeakPolarHBondContact O-CD 3.45Å
1046	N	19.8	Very low	23	Very low	167 Å²	167	106.5 Å²	106.5	89%	0.893	65%	0.649	S	S	*	*			trans	-45.1	136.2	158	-45.5	-82	0	0	0	111.9
1047	P	23.6	Very low	23.1	Very low	124 Å²	124	108.7 Å²	108.7	81%	0.805	65%	0.652	S	S	*	*			trans	-115.5	177.9	149.7	-2	25	0	0	0	112.7	K1045	K1045-P1047 VanDerWaalsContact O-CD 3.27Å; K1045-P1047 WeakPolarHBondContact O-CD 3.45Å
1048	V	27.2	Very low	23.2	Very low	124 Å²	124	106 Å²	106	75%	0.752	65%	0.652	S	S	*	*			trans	-75.4	166.6	-175	-70.1	0	0	0	0	115.4
1049	D	27.1	Very low	23.4	Very low	145 Å²	145	104 Å²	104	78%	0.775	63%	0.627	S	S	*	*			trans	75.9	167.9	139.3	-86.4	-42.9	0	0	0	123.7
1050	S	25	Very low	23.5	Very low	116 Å²	116	101.2 Å²	101.2	81%	0.811	60%	0.604	S	S	*	*			trans	67.3	-169.6	164.3	-65.1	0	0	0	0	117
1051	G	24.8	Very low	23.8	Very low	78 Å²	78	99.3 Å²	99.3	80%	0.804	59%	0.589	S	S	*	*			trans	117.3	41.6	173.4	0	0	0	0	0	116.9
1052	N	23.4	Very low	23.7	Very low	149 Å²	149	97 Å²	97	80%	0.797	57%	0.568	S	S	*	*			trans	-69.3	138.5	170.6	-96.1	-18.2	0	0	0	112.9
1053	N	22.5	Very low	23.6	Very low	126 Å²	126	98.7 Å²	98.7	67%	0.674	58%	0.581	S	S	*	*				68.4	145.7	125.7	-158.5	33.5	0	0	0	122.3
1054	S	22.9	Very low	23.7	Very low	49 Å²	49	97.9 Å²	97.9	34%	0.343	59%	0.592	S	S	.	*			trans	57.7	151.2	148.4	60	0	0	0	0	122.7	S1002	S1002-S1054 VanDerWaalsContact CB-N 3.32Å; S1002-S1054 VanDerWaalsContact OG-C 3.24Å
1055	N	20.8	Very low	23.8	Very low	129 Å²	129	100.4 Å²	100.4	69%	0.69	60%	0.595	S	S	*	*			trans	69.7	149.3	168.3	-54.1	-44.2	0	0	0	117.5	S1002	S1002-N1055 PolarHBondContact OG-N 3.28Å; S1002-N1055 PolarHBondContact OG-O 3.1Å
1056	G	24.9	Very low	23.6	Very low	34 Å²	34	99.7 Å²	99.7	35%	0.351	59%	0.594	S	S	.	*			cis	163.4	165.4	-14.4	0	0	0	0	0	116.3
1057	K	23.6	Very low	23.7	Very low	171 Å²	171	97.4 Å²	97.4	74%	0.743	59%	0.591	S	S	*	*			trans	67	100.7	157	-61.3	179.3	179.5	176.4	0	122	H424	H424-K1057 PolarHBondContact CD2-O 3.23Å; H424-K1057 VanDerWaalsContact CD2-O 3.28Å
1058	A	22.7	Very low	23.7	Very low	59 Å²	59	96.1 Å²	96.1	49%	0.488	59%	0.592	S	S	.	*				53.4	147.5	109.7	0	0	0	0	0	125.3	H424	H424-A1058 WeakPolarHBondContact CB-O 3.35Å; H424-A1058 PolarHBondContact CD2-N 3.27Å
1059	N	22.2	Very low	23.4	Very low	57 Å²	57	94.2 Å²	94.2	31%	0.305	59%	0.589	S	S	.	*			trans	84.6	124.7	150	-166.1	46.8	0	0	0	122.3	H424 L425 R428	H424-N1059 CarbonylContact C-O 3.54Å; H424-N1059 CarbonylContact O-C 3.08Å; H424-N1059 VanDerWaalsContact O-O 3.1Å; L425-N1059 WeakPolarHBondContact CA-O 3.33Å; L425-N1059 VanDerWaalsContact CB-O 3.24Å; L425-N1059 WeakPolarHBondContact CB-O 3.14Å; L425-N1059 WeakPolarHBondContact CD2-O 3.44Å; L425-N1059 WeakPolarHBondContact CG-O 3.25Å; L425-N1059 PolarHBondContact N-O 2.86Å; R428-N1059 PolarHBondContact NH1-OD1 3.36Å; R428-N1059 PolarHBondContact NH2-OD1 2.67Å
1060	I	23.4	Very low	23.2	Very low	47 Å²	47	92.5 Å²	92.5	24%	0.241	58%	0.578	C	S	.	*			trans	105	157.4	168.6	-55.5	-179	0	0	0	121.5	H424 L425 I426 R427 R428 E429	H424-I1060 PolarHBondContact O-N 2.92Å; H424-I1060 VanDerWaalsContact O-N 3.13Å; L425-I1060 CarbonylContact C-O 3.56Å; L425-I1060 VanDerWaalsContact CA-C 3.46Å; L425-I1060 VanDerWaalsContact CA-CA 3.42Å; L425-I1060 WeakPolarHBondContact CA-O 3.39Å; L425-I1060 HydrophobicContact CB-CB 3.62Å; L425-I1060 HydrophobicContact CB-CG2 4.02Å; L425-I1060 HydrophobicContact CD2-CB 3.57Å; L425-I1060 HydrophobicContact CD2-CD1 3.65Å; L425-I1060 HydrophobicContact CD2-CG1 3.76Å; L425-I1060 HydrophobicContact CD2-CG2 4.29Å; L425-I1060 HydrophobicContact CG-CB 4.1Å; L425-I1060 CarbonylContact O-C 3.55Å; L425-I1060 WeakPolarHBondContact O-CG2 3.46Å; I426-I1060 CarbonylContact C-O 3.54Å; I426-I1060 VanDerWaalsContact C-O 3.29Å; I426-I1060 WeakPolarHBondContact CA-O 3.31Å; I426-I1060 PolarHBondContact N-O 3.27Å; R427-I1060 CarbonylContact C-O 3.06Å; R427-I1060 PolarHBondContact N-O 2.87Å; R428-I1060 PolarHBondContact N-O 2.73Å; E429-I1060 HydrophobicContact CB-CB 3.77Å; E429-I1060 HydrophobicContact CB-CG1 3.78Å; E429-I1060 HydrophobicContact CB-CG2 3.86Å; E429-I1060 HydrophobicContact CG-CG2 4.47Å; E429-I1060 PolarHBondContact N-O 3.03Å; E429-I1060 VanDerWaalsContact N-O 3.11Å
1061	T	26.1	Very low	23.1	Very low	33 Å²	33	94.4 Å²	94.4	20%	0.202	58%	0.579	C	S	.	*			trans	36	-171.6	-179	-13.3	0	0	0	0	126.4	F384 L425 I426 R427 R428 A430 S431	F384-T1061 HydrophobicContact CD1-CG2 3.85Å; F384-T1061 HydrophobicContact CE1-CG2 4.18Å; L425-T1061 VanDerWaalsContact O-CB 3.27Å; L425-T1061 WeakPolarHBondContact O-CB 3.32Å; L425-T1061 PolarHBondContact O-N 3.03Å; L425-T1061 PolarHBondContact O-OG1 3.38Å; I426-T1061 CarbonylContact C-O 3.32Å; R427-T1061 CarbonylContact C-O 3.21Å; R427-T1061 PolarHBondContact N-O 3.25Å; R428-T1061 PolarHBondContact N-O 3.48Å; A430-T1061 CarbonylContact C-O 3.44Å; A430-T1061 WeakPolarHBondContact CA-O 3.35Å; A430-T1061 VanDerWaalsContact N-C 3.3Å; A430-T1061 PolarHBondContact N-O 3.17Å; S431-T1061 PolarHBondContact N-O 2.79Å
1062	L	23.7	Very low	23.3	Very low	47 Å²	47	95.8 Å²	95.8	25%	0.246	58%	0.576	C	S	.	*				-134.4	-178.5	-117.8	-162.9	129.3	0	0	0	124.9	F384 A430 L433	F384-L1062 HydrophobicContact CB-CD1 4.21Å; F384-L1062 HydrophobicContact CB-CD2 3.75Å; F384-L1062 HydrophobicContact CB-CG 4.49Å; F384-L1062 HydrophobicContact CD1-CD1 3.77Å; F384-L1062 HydrophobicContact CD2-CD1 3.35Å; F384-L1062 HydrophobicContact CD2-CD2 4.18Å; F384-L1062 HydrophobicContact CD2-CG 4.41Å; F384-L1062 HydrophobicContact CE1-CD1 3.88Å; F384-L1062 HydrophobicContact CE2-CD1 3.47Å; F384-L1062 VanDerWaalsContact CE2-CD1 3.47Å; F384-L1062 HydrophobicContact CG-CD1 3.51Å; F384-L1062 HydrophobicContact CG-CD2 3.98Å; F384-L1062 HydrophobicContact CG-CG 4.26Å; F384-L1062 HydrophobicContact CZ-CD1 3.75Å; A430-L1062 HydrophobicContact CB-CB 3.32Å; A430-L1062 HydrophobicContact CB-CD1 3.42Å; A430-L1062 VanDerWaalsContact CB-CD1 3.42Å; A430-L1062 HydrophobicContact CB-CG 3.45Å; A430-L1062 VanDerWaalsContact CB-CG 3.45Å; A430-L1062 WeakPolarHBondContact O-CA 3.15Å; L433-L1062 HydrophobicContact CD2-CD1 3.43Å; L433-L1062 VanDerWaalsContact CD2-CD1 3.43Å
1063	C	21.6	Very low	23.8	Very low	74 Å²	74	92.9 Å²	92.9	50%	0.5	57%	0.572	S	S	.	*			trans	-52.1	161.3	172.8	-162.9	0	0	0	0	119.8	V434	V434-C1063 HydrophobicContact CG2-CB 3.6Å
1064	G	25.6	Very low	24.2	Very low	64 Å²	64	89.6 Å²	89.6	66%	0.66	56%	0.562	S	S	*	*			trans	-173.4	127.2	156.4	0	0	0	0	0	108.7
1065	Q	24.8	Very low	24.6	Very low	132 Å²	132	90.4 Å²	90.4	62%	0.617	56%	0.563	S	S	*	*			cis	53.4	136.3	35	-67.2	-179.4	-42.9	0	0	112
1066	E	20.5	Very low	26.1	Very low	168 Å²	168	90.4 Å²	90.4	79%	0.785	56%	0.559	S	S	*	*			cis	-179.5	127.5	-22.1	-121.4	-170.7	174.7	0	0	102.9
1067	S	22.1	Very low	28	Very low	119 Å²	119	90.5 Å²	90.5	83%	0.832	55%	0.554	S	S	*	*			trans	73.1	162.2	177.3	-40.5	0	0	0	0	117.5
1068	A	22	Very low	30.2	Very low	98 Å²	98	83.7 Å²	83.7	81%	0.81	53%	0.525	S	S	*	.			trans	60.6	117.9	-173.3	0	0	0	0	0	114.7
1069	A	22.7	Very low	32.7	Very low	83 Å²	83	85.4 Å²	85.4	69%	0.686	53%	0.53	S	S	*	.				79.8	96.2	53.1	0	0	0	0	0	112.1
1070	I	22.3	Very low	35.6	Very low	110 Å²	110	82.8 Å²	82.8	56%	0.564	52%	0.516	S	S	*	.				95.3	97.3	105.2	-73.9	167	0	0	0	110.5
1071	D	22.4	Very low	38.1	Very low	155 Å²	155	86.9 Å²	86.9	83%	0.829	53%	0.534	S	S	*	.				-172.4	-147.9	97.9	-111.8	-36	0	0	0	114
1072	C	30.3	Very low	40.5	Very low	108 Å²	108	88.9 Å²	88.9	73%	0.73	54%	0.543	S	S	*	.			trans	-126.4	155.1	-149.1	-162.8	0	0	0	0	116.5
1073	A	33.3	Very low	43.2	Very low	87 Å²	87	89.3 Å²	89.3	72%	0.719	55%	0.549	S	S	*	.			trans	-151.8	169.9	176.7	0	0	0	0	0	113
1074	A	29.5	Very low	45.9	Very low	57 Å²	57	90.3 Å²	90.3	47%	0.471	56%	0.557	S	S	.	*			trans	-97	171	-149.6	0	0	0	0	0	120.2
1075	D	33.1	Very low	48.4	Very low	66 Å²	66	92.2 Å²	92.2	35%	0.353	55%	0.549	S	S	.	.			trans	49.7	94.4	144.7	-100.2	-57.1	0	0	0	122.2	V1031 N1032	V1031-D1075 WeakPolarHBondContact CA-OD2 3.47Å; V1031-D1075 WeakPolarHBondContact CG1-OD2 3.49Å; N1032-D1075 PolarHBondContact N-OD1 3.26Å; N1032-D1075 PolarHBondContact N-OD2 3.33Å; N1032-D1075 PolarHBondContact ND2-OD1 3.05Å; N1032-D1075 PolarHBondContact O-N 3.46Å
1076	Q	51.6	Low	51	Low	129 Å²	129	88.2 Å²	88.2	60%	0.603	54%	0.538	S	S	*	.			trans	-160.1	77.4	152.3	-116	-174.3	70.3	0	0	115.6	R1089	Q1076-R1089 WeakPolarHBondContact O-CG 3.31Å; Q1076-R1089 PolarHBondContact O-NH1 3.05Å
1077	S	64.8	Low	53.9	Low	36 Å²	36	81 Å²	81	25%	0.252	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	168.5	174	41.8	0	0	0	0	115.4	N1032 R1089	N1032-S1077 VanDerWaalsContact ND2-CB 3.34Å; N1032-S1077 WeakPolarHBondContact ND2-CB 3.43Å; N1032-S1077 PolarHBondContact ND2-N 2.91Å; N1032-S1077 PolarHBondContact ND2-OG 3.06Å; N1032-S1077 WeakPolarHBondContact OD1-CB 3.33Å; S1077-R1089 PolarHBondContact O-NH1 3.28Å
1078	M	69.8	Low	56.6	Low	29 Å²	29	77.7 Å²	77.7	14%	0.143	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	121.5	176.8	-60.9	-76.6	-22.1	0	0	109.7	R29 R30 V1087 R1089 L1094	R29-M1078 VanDerWaalsContact NH1-CB 3.34Å; R30-M1078 VanDerWaalsContact NH1-CE 3.26Å; M1078-V1087 WeakPolarHBondContact CA-O 3.39Å; M1078-V1087 WeakPolarHBondContact CB-O 3.49Å; M1078-V1087 PolarHBondContact N-O 2.66Å; M1078-V1087 PolarHBondContact O-N 3.02Å; M1078-R1089 HydrophobicContact CG-CB 4.22Å; M1078-R1089 HydrophobicContact CG-CG 3.44Å; M1078-R1089 VanDerWaalsContact CG-CG 3.44Å; M1078-R1089 HydrophobicContact SD-CG 3.6Å; M1078-L1094 HydrophobicContact CB-CD2 4.03Å; M1078-L1094 HydrophobicContact CG-CD2 4.49Å
1079	T	75.2	Confident	59.3	Low	94 Å²	94	76.7 Å²	76.7	58%	0.577	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	143.4	174.9	47.3	0	0	0	0	112.3	S1084 E1085 A1086 F1154	T1079-S1084 WeakPolarHBondContact CG2-O 3.49Å; T1079-E1085 CarbonylContact C-O 3.56Å; T1079-E1085 VanDerWaalsContact CA-O 3.31Å; T1079-E1085 WeakPolarHBondContact CA-O 3.21Å; T1079-A1086 HydrophobicContact CG2-CB 4.47Å; T1079-F1154 VanDerWaalsContact O-CD1 3.25Å; T1079-F1154 WeakPolarHBondContact O-CD1 2.98Å
1080	C	82.3	Confident	61.7	Low	3 Å²	3	76.2 Å²	76.2	2%	0.02	44%	0.441	C	S	.	.			trans	-89.7	143.2	168.4	179	0	0	0	0	110.8	I1082 S1084 E1085 H1097 H1101 C1153 F1154	C1080-I1082 VanDerWaalsContact C-N 3.33Å; C1080-I1082 PolarHBondContact O-N 3.18Å; C1080-I1082 PolarHBondContact SG-N 2.93Å; C1080-I1082 VanDerWaalsContact SG-N 3.44Å; C1080-S1084 WeakPolarHBondContact O-CA 2.99Å; C1080-S1084 PolarHBondContact O-N 2.96Å; C1080-E1085 PolarHBondContact N-O 2.98Å; C1080-H1097 WeakPolarHBondContact CB-NE2 3.39Å; C1080-H1097 PolarHBondContact SG-NE2 3.29Å; C1080-H1101 PolarHBondContact SG-NE2 3.48Å; C1080-C1153 PolarHBondContact SG-O 3.41Å; C1080-F1154 HydrophobicContact CB-CD1 4.36Å; C1080-F1154 HydrophobicContact CB-CE1 3.75Å; C1080-F1154 HydrophobicContact CB-CZ 3.99Å
1081	Q	77.5	Confident	64.3	Low	132 Å²	132	75.2 Å²	75.2	62%	0.617	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	1	179.9	-71.4	-171.5	-14.5	0	0	114.6	C1153	Q1081-C1153 PolarHBondContact N-O 2.87Å
1082	I	76.5	Confident	66.6	Low	76 Å²	76	69.5 Å²	69.5	39%	0.39	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-22.9	-177.6	-50.4	-179.9	0	0	0	112.8	C1080 H1101 R1152 C1153	C1080-I1082 VanDerWaalsContact C-N 3.33Å; C1080-I1082 PolarHBondContact O-N 3.18Å; C1080-I1082 PolarHBondContact SG-N 2.93Å; C1080-I1082 VanDerWaalsContact SG-N 3.44Å; I1082-H1101 HydrophobicContact CB-CB 4.46Å; I1082-H1101 WeakPolarHBondContact CB-ND1 3.32Å; I1082-H1101 HydrophobicContact CD1-CB 3.98Å; I1082-H1101 HydrophobicContact CG2-CB 4.2Å; I1082-H1101 WeakPolarHBondContact CG2-ND1 3.09Å; I1082-R1152 HydrophobicContact CD1-CG 4.24Å; I1082-C1153 HydrophobicContact CD1-CB 4.25Å
1083	C	80.4	Confident	69	Low	55 Å²	55	64.6 Å²	64.6	37%	0.372	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.3	16.6	170.7	72	0	0	0	0	114.6	E1085 H1097 H1101	C1083-E1085 PolarHBondContact O-N 3.28Å; C1083-H1097 PolarHBondContact SG-CE1 3.07Å; C1083-H1101 PolarHBondContact SG-CE1 3.24Å
1084	S	77.7	Confident	71.3	Confident	95 Å²	95	60.4 Å²	60.4	66%	0.664	34%	0.341	S	S	*	.			trans	64.5	-13.5	177.9	-49.5	0	0	0	0	117.1	T1079 C1080 A1086	T1079-S1084 WeakPolarHBondContact CG2-O 3.49Å; C1080-S1084 WeakPolarHBondContact O-CA 2.99Å; C1080-S1084 PolarHBondContact O-N 2.96Å; S1084-A1086 PolarHBondContact O-N 3.27Å
1085	E	77.8	Confident	73.9	Confident	104 Å²	104	59 Å²	59	49%	0.486	33%	0.326	S	S	.	.			trans	-52.9	136.7	-175.1	-78.3	-168.2	159.5	0	0	113.9	T1079 C1080 C1083 V1087 H1097	T1079-E1085 CarbonylContact C-O 3.56Å; T1079-E1085 VanDerWaalsContact CA-O 3.31Å; T1079-E1085 WeakPolarHBondContact CA-O 3.21Å; C1080-E1085 PolarHBondContact N-O 2.98Å; C1083-E1085 PolarHBondContact O-N 3.28Å; E1085-V1087 HydrophobicContact CB-CG2 4.35Å; E1085-V1087 PolarHBondContact O-N 3.42Å; E1085-H1097 IonicContact OE2-CE1 2.63Å; E1085-H1097 PolarHBondContact OE2-CE1 2.63Å; E1085-H1097 IonicContact OE2-ND1 4Å; E1085-H1097 PolarHBondContact OE2-ND1 3.04Å
1086	A	78.8	Confident	76.2	Confident	48 Å²	48	56.9 Å²	56.9	40%	0.397	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	91.8	-179.9	0	0	0	0	0	111.4	T1079 S1084	T1079-A1086 HydrophobicContact CG2-CB 4.47Å; S1084-A1086 PolarHBondContact O-N 3.27Å
1087	V	82.5	Confident	77.7	Confident	16 Å²	16	51 Å²	51	10%	0.097	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.9	-173.4	-178.4	0	0	0	0	110.7	M1078 E1085 R1089 S1093 L1094 H1097 F1154	M1078-V1087 WeakPolarHBondContact CA-O 3.39Å; M1078-V1087 WeakPolarHBondContact CB-O 3.49Å; M1078-V1087 PolarHBondContact N-O 2.66Å; M1078-V1087 PolarHBondContact O-N 3.02Å; E1085-V1087 HydrophobicContact CB-CG2 4.35Å; E1085-V1087 PolarHBondContact O-N 3.42Å; V1087-R1089 PolarHBondContact O-N 3.22Å; V1087-S1093 VanDerWaalsContact CG1-CB 3.42Å; V1087-L1094 HydrophobicContact CB-CD2 3.88Å; V1087-L1094 HydrophobicContact CG1-CD2 3.64Å; V1087-L1094 HydrophobicContact CG1-CG 4.15Å; V1087-H1097 HydrophobicContact CG1-CB 3.98Å; V1087-H1097 HydrophobicContact CG2-CB 3.83Å; V1087-H1097 WeakPolarHBondContact CG2-ND1 3.45Å; V1087-F1154 HydrophobicContact CB-CE1 4.48Å; V1087-F1154 HydrophobicContact CB-CZ 4.3Å; V1087-F1154 HydrophobicContact CG2-CZ 4.29Å
1088	C	78.2	Confident	78.3	Confident	50 Å²	50	49.3 Å²	49.3	34%	0.338	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	134.8	-177.6	-52	0	0	0	0	112.7	Q1090 S1093	C1088-Q1090 HydrophobicContact CB-CB 4.07Å; C1088-Q1090 PolarHBondContact O-N 2.74Å; C1088-S1093 WeakPolarHBondContact O-CB 3.27Å; C1088-S1093 PolarHBondContact O-OG 3.19Å
1089	R	77.9	Confident	79.1	Confident	77 Å²	77	49.2 Å²	49.2	29%	0.291	27%	0.273	S	S	.	.	S	Bend	trans	-43.2	-30.2	-179.8	-93.3	175.6	177.7	61.7	-0.1	115.5	G28 R29 Q1076 S1077 M1078 V1087 L1091 L1094	G28-R1089 VanDerWaalsContact CA-O 3.26Å; G28-R1089 WeakPolarHBondContact CA-O 3.35Å; R29-R1089 HydrophobicContact CB-CB 4.22Å; R29-R1089 HydrophobicContact CB-CG 4.25Å; R29-R1089 WeakPolarHBondContact CG-O 3.37Å; Q1076-R1089 WeakPolarHBondContact O-CG 3.31Å; Q1076-R1089 PolarHBondContact O-NH1 3.05Å; S1077-R1089 PolarHBondContact O-NH1 3.28Å; M1078-R1089 HydrophobicContact CG-CB 4.22Å; M1078-R1089 HydrophobicContact CG-CG 3.44Å; M1078-R1089 VanDerWaalsContact CG-CG 3.44Å; M1078-R1089 HydrophobicContact SD-CG 3.6Å; V1087-R1089 PolarHBondContact O-N 3.22Å; R1089-L1091 PolarHBondContact O-N 2.82Å; R1089-L1091 VanDerWaalsContact O-N 3.17Å; R1089-L1094 WeakPolarHBondContact O-CD1 3.46Å
1090	Q	74.9	Confident	79	Confident	73 Å²	73	49.4 Å²	49.4	34%	0.341	27%	0.268	S	S	.	.			trans	-32.8	101.6	165.9	-99.2	-163.8	-11.3	0	0	115.2	R26 G27 C1088 S1092 S1093	R26-Q1090 HydrophobicContact CB-CB 3.42Å; R26-Q1090 VanDerWaalsContact CB-CB 3.42Å; R26-Q1090 HydrophobicContact CB-CG 3.34Å; R26-Q1090 HydrophobicContact CG-CB 4Å; R26-Q1090 HydrophobicContact CG-CG 4.37Å; R26-Q1090 PolarHBondContact O-NE2 3.31Å; G27-Q1090 VanDerWaalsContact O-CA 3.3Å; G27-Q1090 WeakPolarHBondContact O-CA 3.28Å; C1088-Q1090 HydrophobicContact CB-CB 4.07Å; C1088-Q1090 PolarHBondContact O-N 2.74Å; Q1090-S1092 PolarHBondContact O-N 3.07Å; Q1090-S1092 VanDerWaalsContact O-N 3.08Å; Q1090-S1093 VanDerWaalsContact CB-OG 3.27Å; Q1090-S1093 WeakPolarHBondContact CB-OG 3.35Å; Q1090-S1093 WeakPolarHBondContact O-CA 3.15Å; Q1090-S1093 WeakPolarHBondContact O-CB 3.33Å; Q1090-S1093 PolarHBondContact O-N 2.81Å; Q1090-S1093 PolarHBondContact O-OG 3.34Å
1091	L	75.7	Confident	78.6	Confident	90 Å²	90	51.4 Å²	51.4	47%	0.471	28%	0.276	S	S	.	.	H	α-helix	trans	-41.3	-51.6	-170.4	177.8	60.9	0	0	0	115.3	R1089 S1093 L1094 V1095	R1089-L1091 PolarHBondContact O-N 2.82Å; R1089-L1091 VanDerWaalsContact O-N 3.17Å; L1091-S1093 VanDerWaalsContact C-N 3.3Å; L1091-S1093 PolarHBondContact O-N 3.37Å; L1091-L1094 WeakPolarHBondContact O-CB 3.49Å; L1091-L1094 PolarHBondContact O-N 2.73Å; L1091-V1095 PolarHBondContact O-N 3.3Å; L1091-V1095 VanDerWaalsContact O-N 3.1Å
1092	S	71.7	Confident	78.2	Confident	35 Å²	35	48.3 Å²	48.3	25%	0.245	26%	0.264	C	S	.	.	H	α-helix	trans	-74.4	-12.5	-178.2	14.7	0	0	0	0	114.7	L25 R26 Q1090 L1096	L25-S1092 WeakPolarHBondContact CD2-OG 3.42Å; R26-S1092 WeakPolarHBondContact CG-OG 3.47Å; R26-S1092 PolarHBondContact N-OG 2.88Å; Q1090-S1092 PolarHBondContact O-N 3.07Å; Q1090-S1092 VanDerWaalsContact O-N 3.08Å; S1092-L1096 WeakPolarHBondContact O-CB 3.11Å; S1092-L1096 VanDerWaalsContact O-CD1 3.31Å; S1092-L1096 WeakPolarHBondContact O-CD1 3.3Å; S1092-L1096 VanDerWaalsContact O-CG 3.24Å; S1092-L1096 WeakPolarHBondContact O-CG 3.4Å; S1092-L1096 PolarHBondContact O-N 3.41Å; S1092-L1096 VanDerWaalsContact O-N 3.1Å
1093	S	79.3	Confident	77.5	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.028	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-40.3	163.6	-40.5	0	0	0	0	109.7	R26 V1087 C1088 Q1090 L1091 L1096 H1097	R26-S1093 WeakPolarHBondContact CD-OG 3.48Å; R26-S1093 PolarHBondContact NE-OG 3.31Å; R26-S1093 VanDerWaalsContact NH1-CB 3.34Å; R26-S1093 PolarHBondContact NH1-OG 3.15Å; V1087-S1093 VanDerWaalsContact CG1-CB 3.42Å; C1088-S1093 WeakPolarHBondContact O-CB 3.27Å; C1088-S1093 PolarHBondContact O-OG 3.19Å; Q1090-S1093 VanDerWaalsContact CB-OG 3.27Å; Q1090-S1093 WeakPolarHBondContact CB-OG 3.35Å; Q1090-S1093 WeakPolarHBondContact O-CA 3.15Å; Q1090-S1093 WeakPolarHBondContact O-CB 3.33Å; Q1090-S1093 PolarHBondContact O-N 2.81Å; Q1090-S1093 PolarHBondContact O-OG 3.34Å; L1091-S1093 VanDerWaalsContact C-N 3.3Å; L1091-S1093 PolarHBondContact O-N 3.37Å; S1093-L1096 PolarHBondContact O-N 3.15Å; S1093-H1097 VanDerWaalsContact O-CB 3.23Å; S1093-H1097 WeakPolarHBondContact O-CB 3.37Å; S1093-H1097 PolarHBondContact O-N 3.11Å
1094	L	82.5	Confident	77.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-81.3	-30.7	-170.1	-53.6	148.4	0	0	0	109.5	R29 M1078 V1087 R1089 L1091 A1098 F1154	R29-L1094 HydrophobicContact CG-CD1 4.42Å; R29-L1094 VanDerWaalsContact NH2-CD1 3.29Å; M1078-L1094 HydrophobicContact CB-CD2 4.03Å; M1078-L1094 HydrophobicContact CG-CD2 4.49Å; V1087-L1094 HydrophobicContact CB-CD2 3.88Å; V1087-L1094 HydrophobicContact CG1-CD2 3.64Å; V1087-L1094 HydrophobicContact CG1-CG 4.15Å; R1089-L1094 WeakPolarHBondContact O-CD1 3.46Å; L1091-L1094 WeakPolarHBondContact O-CB 3.49Å; L1091-L1094 PolarHBondContact O-N 2.73Å; L1094-A1098 WeakPolarHBondContact O-CB 3.4Å; L1094-A1098 PolarHBondContact O-N 3.02Å; L1094-F1154 HydrophobicContact CB-CD2 4.29Å; L1094-F1154 HydrophobicContact CB-CE2 3.74Å; L1094-F1154 HydrophobicContact CB-CZ 4.06Å; L1094-F1154 HydrophobicContact CD2-CD1 4.11Å; L1094-F1154 HydrophobicContact CD2-CD2 4.47Å; L1094-F1154 HydrophobicContact CD2-CE1 3.46Å; L1094-F1154 VanDerWaalsContact CD2-CE1 3.46Å; L1094-F1154 HydrophobicContact CD2-CE2 3.89Å; L1094-F1154 HydrophobicContact CD2-CZ 3.34Å; L1094-F1154 HydrophobicContact CG-CE2 4.45Å; L1094-F1154 HydrophobicContact CG-CZ 4.3Å; L1094-F1154 WeakPolarHBondContact O-CE2 3.08Å
1095	V	83.6	Confident	77.6	Confident	26 Å²	26	47.8 Å²	47.8	16%	0.158	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-46.9	164.1	174.5	0	0	0	0	111.4	L1091 A1098 R1099 V1146 V1150	L1091-V1095 PolarHBondContact O-N 3.3Å; L1091-V1095 VanDerWaalsContact O-N 3.1Å; V1095-A1098 PolarHBondContact O-N 3.15Å; V1095-R1099 WeakPolarHBondContact O-CG 3.2Å; V1095-R1099 PolarHBondContact O-N 3.5Å; V1095-V1146 HydrophobicContact CG1-CG1 3.89Å; V1095-V1146 HydrophobicContact CG2-CG1 4.31Å; V1095-V1150 HydrophobicContact CB-CG2 4.42Å; V1095-V1150 HydrophobicContact CG2-CG2 3.99Å
1096	L	81.5	Confident	77.6	Confident	22 Å²	22	43.1 Å²	43.1	12%	0.115	22%	0.224	C	C	.	.	H	α-helix	trans	-70	-41.8	-177.2	-73.9	164.2	0	0	0	111.7	R26 S1092 S1093 R1099 Q1117 E1118	R26-L1096 VanDerWaalsContact NH2-CD1 3.33Å; S1092-L1096 WeakPolarHBondContact O-CB 3.11Å; S1092-L1096 VanDerWaalsContact O-CD1 3.31Å; S1092-L1096 WeakPolarHBondContact O-CD1 3.3Å; S1092-L1096 VanDerWaalsContact O-CG 3.24Å; S1092-L1096 WeakPolarHBondContact O-CG 3.4Å; S1092-L1096 PolarHBondContact O-N 3.41Å; S1092-L1096 VanDerWaalsContact O-N 3.1Å; S1093-L1096 PolarHBondContact O-N 3.15Å; L1096-R1099 WeakPolarHBondContact O-CB 3.36Å; L1096-R1099 PolarHBondContact O-N 2.88Å; L1096-Q1117 WeakPolarHBondContact CD2-O 3.44Å; L1096-E1118 HydrophobicContact CD1-CG 4.45Å; L1096-E1118 VanDerWaalsContact CD1-OE1 3.25Å; L1096-E1118 WeakPolarHBondContact CD1-OE1 3.49Å; L1096-E1118 HydrophobicContact CD2-CG 3.5Å
1097	H	82.7	Confident	78	Confident	6 Å²	6	42 Å²	42	3%	0.028	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-41.3	173.1	-177.8	81.6	0	0	0	112.9	C1080 C1083 E1085 V1087 S1093 R1099 Q1100 H1101 F1154	C1080-H1097 WeakPolarHBondContact CB-NE2 3.39Å; C1080-H1097 PolarHBondContact SG-NE2 3.29Å; C1083-H1097 PolarHBondContact SG-CE1 3.07Å; E1085-H1097 IonicContact OE2-CE1 2.63Å; E1085-H1097 PolarHBondContact OE2-CE1 2.63Å; E1085-H1097 IonicContact OE2-ND1 4Å; E1085-H1097 PolarHBondContact OE2-ND1 3.04Å; V1087-H1097 HydrophobicContact CG1-CB 3.98Å; V1087-H1097 HydrophobicContact CG2-CB 3.83Å; V1087-H1097 WeakPolarHBondContact CG2-ND1 3.45Å; S1093-H1097 VanDerWaalsContact O-CB 3.23Å; S1093-H1097 WeakPolarHBondContact O-CB 3.37Å; S1093-H1097 PolarHBondContact O-N 3.11Å; H1097-R1099 PolarHBondContact O-N 2.67Å; H1097-R1099 VanDerWaalsContact O-N 3.12Å; H1097-Q1100 PolarHBondContact ND1-OE1 3.31Å; H1097-Q1100 VanDerWaalsContact O-CB 3.29Å; H1097-Q1100 WeakPolarHBondContact O-CB 3.49Å; H1097-Q1100 PolarHBondContact O-N 3.22Å; H1097-H1101 AromaticContact CD2-CD2 3.87Å; H1097-H1101 AromaticContact CD2-NE2 3.52Å; H1097-H1101 AromaticContact CE1-NE2 3.46Å; H1097-H1101 PolarHBondContact CE1-NE2 3.44Å; H1097-H1101 AromaticContact NE2-CD2 3.69Å; H1097-H1101 AromaticContact NE2-CE1 3.95Å; H1097-H1101 AromaticContact NE2-NE2 2.88Å; H1097-H1101 PolarHBondContact NE2-NE2 2.94Å; H1097-H1101 PolarHBondContact O-CD2 3.21Å; H1097-F1154 HydrophobicContact CB-CZ 4.45Å; H1097-F1154 AromaticContact CD2-CZ 3.57Å
1098	A	78.7	Confident	78	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.3	-15.2	176.1	0	0	0	0	0	113.5	L1094 V1095 I1149 V1150 C1153 F1154	L1094-A1098 WeakPolarHBondContact O-CB 3.4Å; L1094-A1098 PolarHBondContact O-N 3.02Å; V1095-A1098 PolarHBondContact O-N 3.15Å; A1098-I1149 HydrophobicContact CB-CG2 3.54Å; A1098-I1149 WeakPolarHBondContact O-CG2 3.32Å; A1098-V1150 HydrophobicContact CB-CG2 3.83Å; A1098-C1153 VanDerWaalsContact CA-SG 3.54Å; A1098-C1153 HydrophobicContact CB-CB 3.73Å; A1098-C1153 WeakPolarHBondContact CB-SG 3.28Å; A1098-F1154 HydrophobicContact CB-CE2 4.4Å
1099	R	86	Confident	78.4	Confident	27 Å²	27	40.5 Å²	40.5	10%	0.102	20%	0.198	C	C	.	.	H	α-helix	trans	-77.9	-24.1	168.4	-69.6	169.9	-178.5	166.6	3.8	113.4	V1095 L1096 H1097 H1101 L1102 D1103 H1104 Q1117	V1095-R1099 WeakPolarHBondContact O-CG 3.2Å; V1095-R1099 PolarHBondContact O-N 3.5Å; L1096-R1099 WeakPolarHBondContact O-CB 3.36Å; L1096-R1099 PolarHBondContact O-N 2.88Å; H1097-R1099 PolarHBondContact O-N 2.67Å; H1097-R1099 VanDerWaalsContact O-N 3.12Å; R1099-H1101 VanDerWaalsContact C-N 3.35Å; R1099-L1102 PolarHBondContact O-N 3.36Å; R1099-D1103 CarbonylContact O-C 3.29Å; R1099-D1103 WeakPolarHBondContact O-CA 3.48Å; R1099-D1103 PolarHBondContact O-N 2.81Å; R1099-H1104 HydrophobicContact CB-CB 4.32Å; R1099-H1104 WeakPolarHBondContact CB-O 3.31Å; R1099-H1104 WeakPolarHBondContact CD-O 3.5Å; R1099-H1104 HydrophobicContact CG-CB 4.2Å; R1099-H1104 WeakPolarHBondContact CG-O 3.35Å; R1099-H1104 PolarHBondContact O-N 3.4Å; R1099-Q1117 HydrophobicContact CB-CB 4.26Å; R1099-Q1117 HydrophobicContact CB-CG 3.91Å; R1099-Q1117 PolarHBondContact NH1-O 2.89Å; R1099-Q1117 PolarHBondContact O-NE2 3.13Å
1100	Q	72.7	Confident	78.8	Confident	99 Å²	99	38.4 Å²	38.4	46%	0.463	20%	0.197	S	C	.	.	H	α-helix	trans	-64.9	-40.8	176.6	-61.2	173.4	-65.7	0	0	110.6	H1097 L1102 D1103	H1097-Q1100 PolarHBondContact ND1-OE1 3.31Å; H1097-Q1100 VanDerWaalsContact O-CB 3.29Å; H1097-Q1100 WeakPolarHBondContact O-CB 3.49Å; H1097-Q1100 PolarHBondContact O-N 3.22Å; Q1100-L1102 VanDerWaalsContact C-N 3.29Å; Q1100-L1102 PolarHBondContact O-N 2.9Å; Q1100-D1103 PolarHBondContact O-N 2.79Å
1101	H	74.7	Confident	79.3	Confident	44 Å²	44	39.1 Å²	39.1	20%	0.204	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-18.6	-179.9	-67.3	-51.6	0	0	0	116.6	C1080 I1082 C1083 H1097 R1099	C1080-H1101 PolarHBondContact SG-NE2 3.48Å; I1082-H1101 HydrophobicContact CB-CB 4.46Å; I1082-H1101 WeakPolarHBondContact CB-ND1 3.32Å; I1082-H1101 HydrophobicContact CD1-CB 3.98Å; I1082-H1101 HydrophobicContact CG2-CB 4.2Å; I1082-H1101 WeakPolarHBondContact CG2-ND1 3.09Å; C1083-H1101 PolarHBondContact SG-CE1 3.24Å; H1097-H1101 AromaticContact CD2-CD2 3.87Å; H1097-H1101 AromaticContact CD2-NE2 3.52Å; H1097-H1101 AromaticContact CE1-NE2 3.46Å; H1097-H1101 PolarHBondContact CE1-NE2 3.44Å; H1097-H1101 AromaticContact NE2-CD2 3.69Å; H1097-H1101 AromaticContact NE2-CE1 3.95Å; H1097-H1101 AromaticContact NE2-NE2 2.88Å; H1097-H1101 PolarHBondContact NE2-NE2 2.94Å; H1097-H1101 PolarHBondContact O-CD2 3.21Å; R1099-H1101 VanDerWaalsContact C-N 3.35Å
1102	L	67.6	Low	79.9	Confident	68 Å²	68	36.9 Å²	36.9	36%	0.356	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.4	12.6	-174.1	-58	174.7	0	0	0	111.3	R1099 Q1100 H1104 I1149	R1099-L1102 PolarHBondContact O-N 3.36Å; Q1100-L1102 VanDerWaalsContact C-N 3.29Å; Q1100-L1102 PolarHBondContact O-N 2.9Å; L1102-H1104 HydrophobicContact CB-CB 4.21Å; L1102-H1104 PolarHBondContact O-N 3.41Å; L1102-I1149 HydrophobicContact CD1-CB 3.95Å; L1102-I1149 HydrophobicContact CD1-CD1 3.84Å; L1102-I1149 HydrophobicContact CD1-CG1 3.44Å; L1102-I1149 VanDerWaalsContact CD1-CG1 3.44Å; L1102-I1149 HydrophobicContact CD1-CG2 3.74Å
1103	D	62.4	Low	80.4	Confident	100 Å²	100	40 Å²	40	54%	0.535	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	25.8	-175.5	-138.5	9.1	0	0	0	114.6	R1099 Q1100 K1105	R1099-D1103 CarbonylContact O-C 3.29Å; R1099-D1103 WeakPolarHBondContact O-CA 3.48Å; R1099-D1103 PolarHBondContact O-N 2.81Å; Q1100-D1103 PolarHBondContact O-N 2.79Å; D1103-K1105 VanDerWaalsContact O-CD 3.28Å; D1103-K1105 WeakPolarHBondContact O-CD 3.41Å; D1103-K1105 WeakPolarHBondContact O-CE 3.17Å; D1103-K1105 VanDerWaalsContact O-CG 3.29Å; D1103-K1105 WeakPolarHBondContact O-CG 3.04Å; D1103-K1105 PolarHBondContact O-N 3.02Å; D1103-K1105 VanDerWaalsContact O-N 3.08Å; D1103-K1105 WeakPolarHBondContact OD1-CE 3.5Å; D1103-K1105 IonicContact OD1-NZ 3.78Å; D1103-K1105 PolarHBondContact OD1-NZ 2.91Å; D1103-K1105 IonicContact OD2-NZ 3.2Å; D1103-K1105 PolarHBondContact OD2-NZ 3.14Å
1104	H	76.2	Confident	80.7	Confident	40 Å²	40	44.5 Å²	44.5	19%	0.185	23%	0.226	C	C	.	.			trans	-81.1	97.1	-159.3	177.2	-60.4	0	0	0	110.6	R1099 L1102 P1106	R1099-H1104 HydrophobicContact CB-CB 4.32Å; R1099-H1104 WeakPolarHBondContact CB-O 3.31Å; R1099-H1104 WeakPolarHBondContact CD-O 3.5Å; R1099-H1104 HydrophobicContact CG-CB 4.2Å; R1099-H1104 WeakPolarHBondContact CG-O 3.35Å; R1099-H1104 PolarHBondContact O-N 3.4Å; L1102-H1104 HydrophobicContact CB-CB 4.21Å; L1102-H1104 PolarHBondContact O-N 3.41Å; H1104-P1106 WeakPolarHBondContact O-CD 3.45Å
1105	K	83.7	Confident	80.8	Confident	75 Å²	75	49.1 Å²	49.1	33%	0.326	25%	0.246	S	C	.	.			trans	-105	84.7	-173.3	-66.8	148	-169.7	165	0	111.3	D1103 F1107 K1115 S1116 Q1117	D1103-K1105 VanDerWaalsContact O-CD 3.28Å; D1103-K1105 WeakPolarHBondContact O-CD 3.41Å; D1103-K1105 WeakPolarHBondContact O-CE 3.17Å; D1103-K1105 VanDerWaalsContact O-CG 3.29Å; D1103-K1105 WeakPolarHBondContact O-CG 3.04Å; D1103-K1105 PolarHBondContact O-N 3.02Å; D1103-K1105 VanDerWaalsContact O-N 3.08Å; D1103-K1105 WeakPolarHBondContact OD1-CE 3.5Å; D1103-K1105 IonicContact OD1-NZ 3.78Å; D1103-K1105 PolarHBondContact OD1-NZ 2.91Å; D1103-K1105 IonicContact OD2-NZ 3.2Å; D1103-K1105 PolarHBondContact OD2-NZ 3.14Å; K1105-F1107 VanDerWaalsContact C-N 3.33Å; K1105-F1107 PolarHBondContact O-N 2.95Å; K1105-K1115 HydrophobicContact CB-CB 3.64Å; K1105-S1116 CarbonylContact C-O 3.55Å; K1105-S1116 VanDerWaalsContact C-O 3.26Å; K1105-S1116 VanDerWaalsContact CA-O 3.25Å; K1105-S1116 WeakPolarHBondContact CA-O 3.14Å; K1105-Q1117 HydrophobicContact CG-CG 3.88Å
1106	P	77.8	Confident	81.1	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.032	24%	0.243	C	C	.	.			trans	-78.9	-16.2	-171.4	34.1	-36.6	0	0	0	113.5	H1104 S1116 F1139 H1140	H1104-P1106 WeakPolarHBondContact O-CD 3.45Å; P1106-S1116 WeakPolarHBondContact CD-O 3.49Å; P1106-F1139 HydrophobicContact CB-CD2 4.05Å; P1106-F1139 HydrophobicContact CB-CE2 3.74Å; P1106-F1139 HydrophobicContact CG-CD2 4.44Å; P1106-F1139 HydrophobicContact CG-CE2 3.98Å; P1106-F1139 WeakPolarHBondContact O-CA 3.19Å; P1106-H1140 PolarHBondContact O-N 2.76Å
1107	F	88	Confident	81.1	Confident	25 Å²	25	49.1 Å²	49.1	11%	0.11	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.2	177.7	-57.3	-80	0	0	0	108.9	K1105 K1115 S1116 Q1117 E1119 V1122 V1137 L1138 F1139	K1105-F1107 VanDerWaalsContact C-N 3.33Å; K1105-F1107 PolarHBondContact O-N 2.95Å; F1107-K1115 CarbonylContact O-C 3.57Å; F1107-K1115 WeakPolarHBondContact O-CA 3.08Å; F1107-K1115 WeakPolarHBondContact O-CB 3.49Å; F1107-S1116 PolarHBondContact N-O 2.79Å; F1107-S1116 PolarHBondContact O-N 3.45Å; F1107-Q1117 WeakPolarHBondContact CE2-O 3.21Å; F1107-E1119 HydrophobicContact CD1-CB 3.78Å; F1107-E1119 HydrophobicContact CD1-CG 3.79Å; F1107-E1119 HydrophobicContact CD2-CB 4.5Å; F1107-E1119 HydrophobicContact CE1-CB 3.58Å; F1107-E1119 HydrophobicContact CE1-CG 3.75Å; F1107-E1119 HydrophobicContact CE2-CB 4.32Å; F1107-E1119 HydrophobicContact CG-CB 4.24Å; F1107-E1119 HydrophobicContact CZ-CB 3.87Å; F1107-V1122 HydrophobicContact CB-CB 4.48Å; F1107-V1122 HydrophobicContact CB-CG2 3.53Å; F1107-V1122 WeakPolarHBondContact O-CG2 3.15Å; F1107-V1137 HydrophobicContact CB-CG1 3.87Å; F1107-V1137 HydrophobicContact CD1-CG1 3.92Å; F1107-V1137 HydrophobicContact CG-CG1 4.36Å; F1107-L1138 CarbonylContact C-O 3.21Å; F1107-L1138 WeakPolarHBondContact CA-O 3.38Å; F1107-F1139 HydrophobicContact CD1-CB 4.46Å; F1107-F1139 AromaticContact CD1-CD2 3.67Å; F1107-F1139 HydrophobicContact CD1-CD2 3.67Å; F1107-F1139 HydrophobicContact CD1-CE2 4.48Å; F1107-F1139 AromaticContact CE1-CD2 3.48Å; F1107-F1139 HydrophobicContact CE1-CD2 3.48Å; F1107-F1139 VanDerWaalsContact CE1-CD2 3.48Å; F1107-F1139 AromaticContact CE1-CE2 3.99Å; F1107-F1139 HydrophobicContact CE1-CE2 3.99Å; F1107-F1139 HydrophobicContact CE1-CG 4.41Å; F1107-F1139 HydrophobicContact CG-CD2 4.35Å; F1107-F1139 HydrophobicContact CZ-CD2 4.03Å; F1107-F1139 HydrophobicContact CZ-CE2 4.08Å
1108	Q	81.7	Confident	81.2	Confident	34 Å²	34	52 Å²	52	16%	0.159	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.6	179.7	175.7	168.4	-15.6	0	0	110.9	W1114 K1115 L1138	Q1108-W1114 WeakPolarHBondContact CA-O 3.2Å; Q1108-K1115 HydrophobicContact CB-CB 4.46Å; Q1108-K1115 HydrophobicContact CB-CD 4.2Å; Q1108-K1115 HydrophobicContact CB-CG 3.99Å; Q1108-K1115 HydrophobicContact CG-CD 4.37Å; Q1108-K1115 HydrophobicContact CG-CG 3.99Å; Q1108-L1138 HydrophobicContact CB-CB 4.37Å; Q1108-L1138 PolarHBondContact N-O 3.38Å; Q1108-L1138 PolarHBondContact O-N 2.87Å
1109	C	87.7	Confident	81.6	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.007	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	133.3	172	-174.5	0	0	0	0	110.8	Y1111 W1114 V1122 H1125 I1126 H1130	C1109-Y1111 PolarHBondContact O-N 2.79Å; C1109-Y1111 PolarHBondContact SG-N 3.21Å; C1109-W1114 HydrophobicContact CB-CB 4.44Å; C1109-W1114 PolarHBondContact N-O 3.46Å; C1109-V1122 HydrophobicContact CB-CG1 4.09Å; C1109-H1125 PolarHBondContact SG-NE2 2.95Å; C1109-I1126 VanDerWaalsContact SG-CG1 3.59Å; C1109-H1130 PolarHBondContact SG-CD2 3.33Å; C1109-H1130 PolarHBondContact SG-NE2 3.28Å
1110	A	86.1	Confident	81.5	Confident	32 Å²	32	57.5 Å²	57.5	26%	0.264	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	1	172.8	0	0	0	0	0	114.3	K1136 L1138	A1110-K1136 HydrophobicContact CB-CB 3.84Å; A1110-K1136 HydrophobicContact CB-CD 3.69Å; A1110-K1136 HydrophobicContact CB-CG 3.7Å; A1110-K1136 WeakPolarHBondContact CB-O 3.27Å; A1110-K1136 PolarHBondContact N-O 2.92Å; A1110-L1138 HydrophobicContact CB-CD1 4.27Å; A1110-L1138 HydrophobicContact CB-CD2 3.98Å; A1110-L1138 HydrophobicContact CB-CG 3.86Å
1111	Y	86	Confident	82.3	Confident	89 Å²	89	55.7 Å²	55.7	35%	0.349	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-3.6	-171.6	-53.8	-79.2	0	0	0	113.9	C1109 I1126 H1130 V1133 P1134 K1136	C1109-Y1111 PolarHBondContact O-N 2.79Å; C1109-Y1111 PolarHBondContact SG-N 3.21Å; Y1111-I1126 HydrophobicContact CD2-CD1 4.48Å; Y1111-I1126 HydrophobicContact CD2-CG1 4.38Å; Y1111-I1126 HydrophobicContact CD2-CG2 4.35Å; Y1111-I1126 HydrophobicContact CE2-CG2 4.44Å; Y1111-H1130 PolarHBondContact O-CE1 3.47Å; Y1111-H1130 VanDerWaalsContact O-CE1 3.27Å; Y1111-V1133 HydrophobicContact CD1-CG2 4.21Å; Y1111-V1133 HydrophobicContact CD2-CG2 3.64Å; Y1111-V1133 HydrophobicContact CE1-CB 4.27Å; Y1111-V1133 HydrophobicContact CE1-CG2 4.07Å; Y1111-V1133 HydrophobicContact CE2-CB 4.43Å; Y1111-V1133 HydrophobicContact CE2-CG2 3.49Å; Y1111-V1133 VanDerWaalsContact CE2-CG2 3.49Å; Y1111-V1133 HydrophobicContact CG-CG2 4.02Å; Y1111-P1134 WeakPolarHBondContact CE2-O 3.47Å; Y1111-P1134 PolarHBondContact OH-O 3.35Å; Y1111-K1136 HydrophobicContact CE2-CB 3.89Å
1112	C	86.4	Confident	83	Confident	42 Å²	42	53.6 Å²	53.6	28%	0.284	27%	0.269	S	S	.	.	S	Bend	trans	-162.2	-178.4	167.7	72.9	0	0	0	0	110.9	W1114 H1125 H1130	C1112-W1114 VanDerWaalsContact C-N 3.26Å; C1112-W1114 PolarHBondContact O-N 2.73Å; C1112-W1114 VanDerWaalsContact SG-CB 3.53Å; C1112-W1114 PolarHBondContact SG-N 2.87Å; C1112-W1114 VanDerWaalsContact SG-N 3.43Å; C1112-H1125 VanDerWaalsContact SG-CE1 3.51Å; C1112-H1125 PolarHBondContact SG-NE2 3.29Å; C1112-H1130 PolarHBondContact SG-NE2 2.85Å; C1112-H1130 VanDerWaalsContact SG-NE2 3.38Å
1113	S	82.6	Confident	84	Confident	101 Å²	101	52.8 Å²	52.8	71%	0.706	26%	0.263	S	S	*	.	S	Bend	trans	-72.5	-5.1	179.4	47.4	0	0	0	0	115.7	K1115	S1113-K1115 WeakPolarHBondContact O-CG 3.32Å; S1113-K1115 PolarHBondContact O-N 2.91Å
1114	W	86.3	Confident	85	Confident	98 Å²	98	52 Å²	52	37%	0.371	26%	0.256	S	S	.	.			trans	-64.8	128.2	-174.5	-163.8	89.1	0	0	0	112.3	Q1108 C1109 C1112 D1121 V1122 H1125	Q1108-W1114 WeakPolarHBondContact CA-O 3.2Å; C1109-W1114 HydrophobicContact CB-CB 4.44Å; C1109-W1114 PolarHBondContact N-O 3.46Å; C1112-W1114 VanDerWaalsContact C-N 3.26Å; C1112-W1114 PolarHBondContact O-N 2.73Å; C1112-W1114 VanDerWaalsContact SG-CB 3.53Å; C1112-W1114 PolarHBondContact SG-N 2.87Å; C1112-W1114 VanDerWaalsContact SG-N 3.43Å; W1114-D1121 HydrophobicContact CH2-CB 3.94Å; W1114-D1121 HydrophobicContact CZ3-CB 4.2Å; W1114-V1122 HydrophobicContact CE3-CG2 4.12Å; W1114-V1122 HydrophobicContact CZ3-CB 4.32Å; W1114-V1122 HydrophobicContact CZ3-CG2 3.82Å; W1114-H1125 HydrophobicContact CD2-CB 3.92Å; W1114-H1125 AromaticContact CD2-CG 3.63Å; W1114-H1125 AromaticContact CD2-ND1 3.71Å; W1114-H1125 HydrophobicContact CE3-CB 3.52Å; W1114-H1125 AromaticContact CE3-CG 3.6Å; W1114-H1125 AromaticContact CG-CG 3.94Å; W1114-H1125 AromaticContact CG-ND1 3.66Å; W1114-H1125 HydrophobicContact CH2-CB 3.97Å; W1114-H1125 HydrophobicContact CZ2-CB 4.34Å; W1114-H1125 HydrophobicContact CZ3-CB 3.56Å
1115	K	84.4	Confident	85.7	Confident	97 Å²	97	51.7 Å²	51.7	42%	0.422	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.7	178.7	-37.8	-162.4	-165.7	-151.7	0	111.1	K1105 F1107 Q1108 S1113	K1105-K1115 HydrophobicContact CB-CB 3.64Å; F1107-K1115 CarbonylContact O-C 3.57Å; F1107-K1115 WeakPolarHBondContact O-CA 3.08Å; F1107-K1115 WeakPolarHBondContact O-CB 3.49Å; Q1108-K1115 HydrophobicContact CB-CB 4.46Å; Q1108-K1115 HydrophobicContact CB-CD 4.2Å; Q1108-K1115 HydrophobicContact CB-CG 3.99Å; Q1108-K1115 HydrophobicContact CG-CD 4.37Å; Q1108-K1115 HydrophobicContact CG-CG 3.99Å; S1113-K1115 WeakPolarHBondContact O-CG 3.32Å; S1113-K1115 PolarHBondContact O-N 2.91Å
1116	S	90.3	Very high	86	Confident	11 Å²	11	48.1 Å²	48.1	8%	0.077	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	163.5	170.8	-179.5	0	0	0	0	112.9	K1105 P1106 F1107 E1118 D1121	K1105-S1116 CarbonylContact C-O 3.55Å; K1105-S1116 VanDerWaalsContact C-O 3.26Å; K1105-S1116 VanDerWaalsContact CA-O 3.25Å; K1105-S1116 WeakPolarHBondContact CA-O 3.14Å; P1106-S1116 WeakPolarHBondContact CD-O 3.49Å; F1107-S1116 PolarHBondContact N-O 2.79Å; F1107-S1116 PolarHBondContact O-N 3.45Å; S1116-E1118 VanDerWaalsContact C-N 3.25Å; S1116-E1118 PolarHBondContact OG-N 3.35Å; S1116-D1121 WeakPolarHBondContact OG-CB 3.34Å; S1116-D1121 PolarHBondContact OG-OD2 2.97Å
1117	Q	81.6	Confident	86.5	Confident	38 Å²	38	51.7 Å²	51.7	18%	0.178	26%	0.261	C	S	.	.	S	Bend	trans	-70	-18.9	170.6	-59.8	174.2	-7.4	0	0	112.2	L1096 R1099 K1105 F1107	L1096-Q1117 WeakPolarHBondContact CD2-O 3.44Å; R1099-Q1117 HydrophobicContact CB-CB 4.26Å; R1099-Q1117 HydrophobicContact CB-CG 3.91Å; R1099-Q1117 PolarHBondContact NH1-O 2.89Å; R1099-Q1117 PolarHBondContact O-NE2 3.13Å; K1105-Q1117 HydrophobicContact CG-CG 3.88Å; F1107-Q1117 WeakPolarHBondContact CE2-O 3.21Å
1118	E	84.8	Confident	86.4	Confident	67 Å²	67	57.5 Å²	57.5	31%	0.313	28%	0.282	S	S	.	.	S	Bend	trans	-123.6	153.4	179.4	-69.4	-160.8	-174.6	0	0	114.8	L1096 S1116 D1121	L1096-E1118 HydrophobicContact CD1-CG 4.45Å; L1096-E1118 VanDerWaalsContact CD1-OE1 3.25Å; L1096-E1118 WeakPolarHBondContact CD1-OE1 3.49Å; L1096-E1118 HydrophobicContact CD2-CG 3.5Å; S1116-E1118 VanDerWaalsContact C-N 3.25Å; S1116-E1118 PolarHBondContact OG-N 3.35Å; E1118-D1121 HydrophobicContact CB-CB 4.17Å
1119	E	87	Confident	86.5	Confident	81 Å²	81	58.9 Å²	58.9	38%	0.379	30%	0.296	S	S	.	.	H	α-helix	trans	-77.2	-41.3	180	-159	-167.2	120.9	0	0	111.4	F1107 D1121 V1122 K1123 V1137	F1107-E1119 HydrophobicContact CD1-CB 3.78Å; F1107-E1119 HydrophobicContact CD1-CG 3.79Å; F1107-E1119 HydrophobicContact CD2-CB 4.5Å; F1107-E1119 HydrophobicContact CE1-CB 3.58Å; F1107-E1119 HydrophobicContact CE1-CG 3.75Å; F1107-E1119 HydrophobicContact CE2-CB 4.32Å; F1107-E1119 HydrophobicContact CG-CB 4.24Å; F1107-E1119 HydrophobicContact CZ-CB 3.87Å; E1119-D1121 PolarHBondContact O-N 3.34Å; E1119-V1122 PolarHBondContact O-N 3.25Å; E1119-K1123 WeakPolarHBondContact O-CG 3.5Å; E1119-K1123 PolarHBondContact O-N 3.27Å; E1119-K1123 WeakPolarHBondContact OE1-CE 3.46Å; E1119-K1123 IonicContact OE1-NZ 2.67Å; E1119-K1123 PolarHBondContact OE1-NZ 3.44Å; E1119-V1137 HydrophobicContact CG-CB 4.37Å; E1119-V1137 HydrophobicContact CG-CG1 4.11Å; E1119-V1137 HydrophobicContact CG-CG2 4.3Å
1120	E	83.3	Confident	86.3	Confident	61 Å²	61	60.6 Å²	60.6	29%	0.285	30%	0.304	S	S	.	.	H	α-helix	trans	-54.4	-39.8	172.1	-86.6	47.8	-125.7	0	0	112.2	S22 K1123 Q1124	S22-E1120 WeakPolarHBondContact CB-OE1 3.49Å; S22-E1120 WeakPolarHBondContact OG-CG 3.28Å; S22-E1120 PolarHBondContact OG-OE1 3.1Å; E1120-K1123 WeakPolarHBondContact O-CB 3.27Å; E1120-K1123 PolarHBondContact O-N 3.38Å; E1120-K1123 IonicContact OE1-NZ 3.05Å; E1120-K1123 PolarHBondContact OE1-NZ 2.93Å; E1120-K1123 IonicContact OE2-NZ 3.68Å; E1120-Q1124 WeakPolarHBondContact O-CB 3.29Å; E1120-Q1124 WeakPolarHBondContact O-CG 3.37Å; E1120-Q1124 PolarHBondContact O-N 2.69Å
1121	D	90.5	Very high	85.9	Confident	60 Å²	60	68 Å²	68	32%	0.321	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-45.7	175.2	-107.1	15.7	0	0	0	112.3	W1114 S1116 E1118 E1119 K1123 Q1124 H1125	W1114-D1121 HydrophobicContact CH2-CB 3.94Å; W1114-D1121 HydrophobicContact CZ3-CB 4.2Å; S1116-D1121 WeakPolarHBondContact OG-CB 3.34Å; S1116-D1121 PolarHBondContact OG-OD2 2.97Å; E1118-D1121 HydrophobicContact CB-CB 4.17Å; E1119-D1121 PolarHBondContact O-N 3.34Å; D1121-K1123 VanDerWaalsContact C-N 3.34Å; D1121-Q1124 WeakPolarHBondContact O-CB 3.13Å; D1121-Q1124 PolarHBondContact O-N 3.49Å; D1121-H1125 WeakPolarHBondContact O-CB 3.37Å; D1121-H1125 PolarHBondContact O-N 2.73Å
1122	V	88	Confident	85.4	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-69.9	-34	177.3	-172.7	0	0	0	0	111	F1107 C1109 W1114 E1119 H1125 I1126 V1137	F1107-V1122 HydrophobicContact CB-CB 4.48Å; F1107-V1122 HydrophobicContact CB-CG2 3.53Å; F1107-V1122 WeakPolarHBondContact O-CG2 3.15Å; C1109-V1122 HydrophobicContact CB-CG1 4.09Å; W1114-V1122 HydrophobicContact CE3-CG2 4.12Å; W1114-V1122 HydrophobicContact CZ3-CB 4.32Å; W1114-V1122 HydrophobicContact CZ3-CG2 3.82Å; E1119-V1122 PolarHBondContact O-N 3.25Å; V1122-H1125 PolarHBondContact O-N 3.17Å; V1122-I1126 HydrophobicContact CG1-CD1 4Å; V1122-I1126 HydrophobicContact CG1-CG1 4.37Å; V1122-I1126 WeakPolarHBondContact O-CD1 3.48Å; V1122-I1126 WeakPolarHBondContact O-CG1 3.14Å; V1122-I1126 PolarHBondContact O-N 3.39Å; V1122-V1137 HydrophobicContact CB-CB 4.45Å; V1122-V1137 HydrophobicContact CB-CG1 3.87Å; V1122-V1137 HydrophobicContact CB-CG2 3.84Å; V1122-V1137 HydrophobicContact CG1-CB 4.28Å; V1122-V1137 HydrophobicContact CG1-CG1 3.94Å; V1122-V1137 HydrophobicContact CG1-CG2 3.84Å; V1122-V1137 HydrophobicContact CG2-CG1 4.27Å
1123	K	89.5	Confident	84.9	Confident	52 Å²	52	68.7 Å²	68.7	23%	0.226	33%	0.333	C	S	.	.	H	α-helix	trans	-60.1	-45.4	169.4	-67	166.7	-163.5	159.7	0	111	E1119 E1120 D1121 I1126 T1127 L1135 V1137	E1119-K1123 WeakPolarHBondContact O-CG 3.5Å; E1119-K1123 PolarHBondContact O-N 3.27Å; E1119-K1123 WeakPolarHBondContact OE1-CE 3.46Å; E1119-K1123 IonicContact OE1-NZ 2.67Å; E1119-K1123 PolarHBondContact OE1-NZ 3.44Å; E1120-K1123 WeakPolarHBondContact O-CB 3.27Å; E1120-K1123 PolarHBondContact O-N 3.38Å; E1120-K1123 IonicContact OE1-NZ 3.05Å; E1120-K1123 PolarHBondContact OE1-NZ 2.93Å; E1120-K1123 IonicContact OE2-NZ 3.68Å; D1121-K1123 VanDerWaalsContact C-N 3.34Å; K1123-I1126 PolarHBondContact O-N 3.04Å; K1123-T1127 WeakPolarHBondContact O-CG2 3.5Å; K1123-T1127 PolarHBondContact O-N 3.36Å; K1123-T1127 PolarHBondContact O-OG1 3.32Å; K1123-L1135 HydrophobicContact CB-CD1 4.35Å; K1123-V1137 HydrophobicContact CG-CG2 3.96Å
1124	Q	83.5	Confident	84.6	Confident	82 Å²	82	68.4 Å²	68.4	38%	0.383	33%	0.329	S	S	.	.	H	α-helix	trans	-61.9	-49	176.4	-77.3	-167.9	74.7	0	0	111.6	E1120 D1121 I1126 T1127 R1128	E1120-Q1124 WeakPolarHBondContact O-CB 3.29Å; E1120-Q1124 WeakPolarHBondContact O-CG 3.37Å; E1120-Q1124 PolarHBondContact O-N 2.69Å; D1121-Q1124 WeakPolarHBondContact O-CB 3.13Å; D1121-Q1124 PolarHBondContact O-N 3.49Å; Q1124-I1126 VanDerWaalsContact C-N 3.31Å; Q1124-I1126 PolarHBondContact O-N 3.38Å; Q1124-T1127 WeakPolarHBondContact CA-OG1 3.33Å; Q1124-T1127 PolarHBondContact O-N 2.16Å; Q1124-T1127 VanDerWaalsContact O-N 3.1Å; Q1124-T1127 PolarHBondContact O-OG1 3.29Å; Q1124-R1128 WeakPolarHBondContact O-CG 3.33Å; Q1124-R1128 PolarHBondContact O-N 2.76Å
1125	H	90.2	Very high	84.5	Confident	35 Å²	35	68.1 Å²	68.1	16%	0.162	33%	0.334	C	S	.	.	H	α-helix	trans	-54.5	-45.6	173.6	169.6	77.2	0	0	0	111.6	C1109 C1112 W1114 D1121 V1122 T1127 R1128 S1129 H1130	C1109-H1125 PolarHBondContact SG-NE2 2.95Å; C1112-H1125 VanDerWaalsContact SG-CE1 3.51Å; C1112-H1125 PolarHBondContact SG-NE2 3.29Å; W1114-H1125 HydrophobicContact CD2-CB 3.92Å; W1114-H1125 AromaticContact CD2-CG 3.63Å; W1114-H1125 AromaticContact CD2-ND1 3.71Å; W1114-H1125 HydrophobicContact CE3-CB 3.52Å; W1114-H1125 AromaticContact CE3-CG 3.6Å; W1114-H1125 AromaticContact CG-CG 3.94Å; W1114-H1125 AromaticContact CG-ND1 3.66Å; W1114-H1125 HydrophobicContact CH2-CB 3.97Å; W1114-H1125 HydrophobicContact CZ2-CB 4.34Å; W1114-H1125 HydrophobicContact CZ3-CB 3.56Å; D1121-H1125 WeakPolarHBondContact O-CB 3.37Å; D1121-H1125 PolarHBondContact O-N 2.73Å; V1122-H1125 PolarHBondContact O-N 3.17Å; H1125-T1127 PolarHBondContact O-N 3.48Å; H1125-R1128 PolarHBondContact O-N 2.55Å; H1125-S1129 WeakPolarHBondContact CE1-CB 3.43Å; H1125-S1129 PolarHBondContact CE1-OG 2.86Å; H1125-S1129 PolarHBondContact ND1-OG 3.01Å; H1125-S1129 WeakPolarHBondContact O-CA 3.49Å; H1125-S1129 WeakPolarHBondContact O-CB 3.42Å; H1125-S1129 PolarHBondContact O-N 3.13Å; H1125-S1129 PolarHBondContact O-OG 2.8Å; H1125-S1129 VanDerWaalsContact O-OG 3.14Å; H1125-H1130 AromaticContact CD2-CD2 3.89Å; H1125-H1130 AromaticContact CD2-NE2 3.98Å; H1125-H1130 AromaticContact NE2-CD2 2.87Å; H1125-H1130 PolarHBondContact NE2-CD2 2.86Å; H1125-H1130 AromaticContact NE2-CE1 3.48Å; H1125-H1130 PolarHBondContact NE2-CE1 2.86Å; H1125-H1130 AromaticContact NE2-NE2 2.26Å; H1125-H1130 PolarHBondContact NE2-NE2 2.81Å
1126	I	90.5	Very high	84.3	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.7	-43.9	176.3	-62.7	162.2	0	0	0	110.7	C1109 Y1111 V1122 K1123 Q1124 R1128 H1130 V1133 L1135 K1136 V1137	C1109-I1126 VanDerWaalsContact SG-CG1 3.59Å; Y1111-I1126 HydrophobicContact CD2-CD1 4.48Å; Y1111-I1126 HydrophobicContact CD2-CG1 4.38Å; Y1111-I1126 HydrophobicContact CD2-CG2 4.35Å; Y1111-I1126 HydrophobicContact CE2-CG2 4.44Å; V1122-I1126 HydrophobicContact CG1-CD1 4Å; V1122-I1126 HydrophobicContact CG1-CG1 4.37Å; V1122-I1126 WeakPolarHBondContact O-CD1 3.48Å; V1122-I1126 WeakPolarHBondContact O-CG1 3.14Å; V1122-I1126 PolarHBondContact O-N 3.39Å; K1123-I1126 PolarHBondContact O-N 3.04Å; Q1124-I1126 VanDerWaalsContact C-N 3.31Å; Q1124-I1126 PolarHBondContact O-N 3.38Å; I1126-R1128 VanDerWaalsContact C-N 3.33Å; I1126-R1128 PolarHBondContact O-N 2.79Å; I1126-H1130 HydrophobicContact CG2-CB 4.09Å; I1126-H1130 CarbonylContact O-C 3.57Å; I1126-H1130 VanDerWaalsContact O-CA 3.3Å; I1126-H1130 WeakPolarHBondContact O-CA 3.32Å; I1126-H1130 WeakPolarHBondContact O-CB 3.42Å; I1126-H1130 PolarHBondContact O-N 3.02Å; I1126-H1130 VanDerWaalsContact O-O 3.11Å; I1126-V1133 HydrophobicContact CG2-CG2 3.62Å; I1126-L1135 HydrophobicContact CB-CD2 3.88Å; I1126-L1135 HydrophobicContact CG2-CD2 3.57Å; I1126-K1136 VanDerWaalsContact CD1-O 3.28Å; I1126-K1136 WeakPolarHBondContact CD1-O 3.45Å; I1126-V1137 HydrophobicContact CD1-CG2 4.23Å
1127	T	87.1	Confident	84	Confident	80 Å²	80	70.2 Å²	70.2	49%	0.491	35%	0.345	S	S	.	.	H	α-helix	trans	-63.3	-33.9	176.5	57.5	0	0	0	0	114.3	K1123 Q1124 H1125 L1135	K1123-T1127 WeakPolarHBondContact O-CG2 3.5Å; K1123-T1127 PolarHBondContact O-N 3.36Å; K1123-T1127 PolarHBondContact O-OG1 3.32Å; Q1124-T1127 WeakPolarHBondContact CA-OG1 3.33Å; Q1124-T1127 PolarHBondContact O-N 2.16Å; Q1124-T1127 VanDerWaalsContact O-N 3.1Å; Q1124-T1127 PolarHBondContact O-OG1 3.29Å; H1125-T1127 PolarHBondContact O-N 3.48Å; T1127-L1135 HydrophobicContact CG2-CD1 4.23Å; T1127-L1135 HydrophobicContact CG2-CD2 3.68Å
1128	R	86.6	Confident	83.9	Confident	146 Å²	146	71.2 Å²	71.2	55%	0.551	35%	0.351	S	S	*	.	H	α-helix	trans	-83	-50.4	-177.8	-66	177.5	-167.8	-152.6	7.6	111.7	Q1124 H1125 I1126	Q1124-R1128 WeakPolarHBondContact O-CG 3.33Å; Q1124-R1128 PolarHBondContact O-N 2.76Å; H1125-R1128 PolarHBondContact O-N 2.55Å; I1126-R1128 VanDerWaalsContact C-N 3.33Å; I1126-R1128 PolarHBondContact O-N 2.79Å
1129	S	83.3	Confident	83.7	Confident	64 Å²	64	72.3 Å²	72.3	45%	0.448	36%	0.355	S	S	.	.	H	α-helix	trans	-93.5	-25.7	-168.9	-48.3	0	0	0	0	113.9	H1125	H1125-S1129 WeakPolarHBondContact CE1-CB 3.43Å; H1125-S1129 PolarHBondContact CE1-OG 2.86Å; H1125-S1129 PolarHBondContact ND1-OG 3.01Å; H1125-S1129 WeakPolarHBondContact O-CA 3.49Å; H1125-S1129 WeakPolarHBondContact O-CB 3.42Å; H1125-S1129 PolarHBondContact O-N 3.13Å; H1125-S1129 PolarHBondContact O-OG 2.8Å; H1125-S1129 VanDerWaalsContact O-OG 3.14Å
1130	H	85.2	Confident	82.8	Confident	37 Å²	37	72.9 Å²	72.9	17%	0.171	36%	0.357	C	S	.	.	S	Bend	trans	-126.3	63	-177	-56.4	-73.3	0	0	0	110.6	C1109 Y1111 C1112 H1125 I1126 N1132 V1133	C1109-H1130 PolarHBondContact SG-CD2 3.33Å; C1109-H1130 PolarHBondContact SG-NE2 3.28Å; Y1111-H1130 PolarHBondContact O-CE1 3.47Å; Y1111-H1130 VanDerWaalsContact O-CE1 3.27Å; C1112-H1130 PolarHBondContact SG-NE2 2.85Å; C1112-H1130 VanDerWaalsContact SG-NE2 3.38Å; H1125-H1130 AromaticContact CD2-CD2 3.89Å; H1125-H1130 AromaticContact CD2-NE2 3.98Å; H1125-H1130 AromaticContact NE2-CD2 2.87Å; H1125-H1130 PolarHBondContact NE2-CD2 2.86Å; H1125-H1130 AromaticContact NE2-CE1 3.48Å; H1125-H1130 PolarHBondContact NE2-CE1 2.86Å; H1125-H1130 AromaticContact NE2-NE2 2.26Å; H1125-H1130 PolarHBondContact NE2-NE2 2.81Å; I1126-H1130 HydrophobicContact CG2-CB 4.09Å; I1126-H1130 CarbonylContact O-C 3.57Å; I1126-H1130 VanDerWaalsContact O-CA 3.3Å; I1126-H1130 WeakPolarHBondContact O-CA 3.32Å; I1126-H1130 WeakPolarHBondContact O-CB 3.42Å; I1126-H1130 PolarHBondContact O-N 3.02Å; I1126-H1130 VanDerWaalsContact O-O 3.11Å; H1130-N1132 PolarHBondContact O-N 3.33Å; H1130-V1133 HydrophobicContact CB-CG1 4.27Å; H1130-V1133 HydrophobicContact CB-CG2 3.58Å; H1130-V1133 WeakPolarHBondContact O-CG2 3.26Å; H1130-V1133 PolarHBondContact O-N 2.91Å
1131	R	76.1	Confident	81.6	Confident	186 Å²	186	73.5 Å²	73.5	70%	0.702	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	128.1	-173	-62.4	-178.8	-177.9	-172.8	-1.1	111.8	V1133	R1131-V1133 VanDerWaalsContact C-N 3.27Å; R1131-V1133 PolarHBondContact O-N 2.68Å
1132	N	77.3	Confident	79.3	Confident	103 Å²	103	75.4 Å²	75.4	55%	0.551	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	17.7	-180	-55.7	-75.7	0	0	0	117	P13 F14 H1130	P13-N1132 VanDerWaalsContact C-CB 3.43Å; P13-N1132 VanDerWaalsContact C-ND2 3.35Å; P13-N1132 HydrophobicContact CB-CB 3.83Å; P13-N1132 HydrophobicContact CG-CB 3.86Å; P13-N1132 VanDerWaalsContact O-CB 3.3Å; P13-N1132 WeakPolarHBondContact O-CB 3.5Å; P13-N1132 PolarHBondContact O-ND2 2.96Å; F14-N1132 VanDerWaalsContact N-CG 3.31Å; F14-N1132 PolarHBondContact N-ND2 2.85Å; F14-N1132 VanDerWaalsContact N-ND2 3.13Å; H1130-N1132 PolarHBondContact O-N 3.33Å
1133	V	75.6	Confident	77.2	Confident	43 Å²	43	83.6 Å²	83.6	26%	0.261	41%	0.405	S	S	.	.	S	Bend	trans	-84.4	154.1	158.6	-41.4	0	0	0	0	109.7	Y1111 I1126 H1130 R1131	Y1111-V1133 HydrophobicContact CD1-CG2 4.21Å; Y1111-V1133 HydrophobicContact CD2-CG2 3.64Å; Y1111-V1133 HydrophobicContact CE1-CB 4.27Å; Y1111-V1133 HydrophobicContact CE1-CG2 4.07Å; Y1111-V1133 HydrophobicContact CE2-CB 4.43Å; Y1111-V1133 HydrophobicContact CE2-CG2 3.49Å; Y1111-V1133 VanDerWaalsContact CE2-CG2 3.49Å; Y1111-V1133 HydrophobicContact CG-CG2 4.02Å; I1126-V1133 HydrophobicContact CG2-CG2 3.62Å; H1130-V1133 HydrophobicContact CB-CG1 4.27Å; H1130-V1133 HydrophobicContact CB-CG2 3.58Å; H1130-V1133 WeakPolarHBondContact O-CG2 3.26Å; H1130-V1133 PolarHBondContact O-N 2.91Å; R1131-V1133 VanDerWaalsContact C-N 3.27Å; R1131-V1133 PolarHBondContact O-N 2.68Å
1134	P	76	Confident	75.1	Confident	96 Å²	96	85.5 Å²	85.5	62%	0.623	42%	0.421	S	S	*	.			trans	-67.7	147.8	176.9	26.5	-32.1	0	0	0	111.7	Y1111 K1136	Y1111-P1134 WeakPolarHBondContact CE2-O 3.47Å; Y1111-P1134 PolarHBondContact OH-O 3.35Å; P1134-K1136 VanDerWaalsContact C-N 3.26Å; P1134-K1136 PolarHBondContact O-N 3.44Å
1135	L	84.5	Confident	73.6	Confident	92 Å²	92	83.7 Å²	83.7	48%	0.482	41%	0.413	S	S	.	.			trans	-73.4	71.5	-175.4	-54.1	-174.4	0	0	0	112.8	K1123 I1126 T1127	K1123-L1135 HydrophobicContact CB-CD1 4.35Å; I1126-L1135 HydrophobicContact CB-CD2 3.88Å; I1126-L1135 HydrophobicContact CG2-CD2 3.57Å; T1127-L1135 HydrophobicContact CG2-CD1 4.23Å; T1127-L1135 HydrophobicContact CG2-CD2 3.68Å
1136	K	79.4	Confident	72.1	Confident	117 Å²	117	84.3 Å²	84.3	51%	0.509	42%	0.419	S	S	.	.			trans	-91.6	100	177	-169.4	-176	175.7	-167.3	0	110.6	A1110 Y1111 I1126 P1134	A1110-K1136 HydrophobicContact CB-CB 3.84Å; A1110-K1136 HydrophobicContact CB-CD 3.69Å; A1110-K1136 HydrophobicContact CB-CG 3.7Å; A1110-K1136 WeakPolarHBondContact CB-O 3.27Å; A1110-K1136 PolarHBondContact N-O 2.92Å; Y1111-K1136 HydrophobicContact CE2-CB 3.89Å; I1126-K1136 VanDerWaalsContact CD1-O 3.28Å; I1126-K1136 WeakPolarHBondContact CD1-O 3.45Å; P1134-K1136 VanDerWaalsContact C-N 3.26Å; P1134-K1136 PolarHBondContact O-N 3.44Å
1137	V	85	Confident	70.5	Confident	34 Å²	34	88.3 Å²	88.3	21%	0.206	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133.7	167.6	-176	0	0	0	0	108.8	F1107 E1119 V1122 K1123 I1126	F1107-V1137 HydrophobicContact CB-CG1 3.87Å; F1107-V1137 HydrophobicContact CD1-CG1 3.92Å; F1107-V1137 HydrophobicContact CG-CG1 4.36Å; E1119-V1137 HydrophobicContact CG-CB 4.37Å; E1119-V1137 HydrophobicContact CG-CG1 4.11Å; E1119-V1137 HydrophobicContact CG-CG2 4.3Å; V1122-V1137 HydrophobicContact CB-CB 4.45Å; V1122-V1137 HydrophobicContact CB-CG1 3.87Å; V1122-V1137 HydrophobicContact CB-CG2 3.84Å; V1122-V1137 HydrophobicContact CG1-CB 4.28Å; V1122-V1137 HydrophobicContact CG1-CG1 3.94Å; V1122-V1137 HydrophobicContact CG1-CG2 3.84Å; V1122-V1137 HydrophobicContact CG2-CG1 4.27Å; K1123-V1137 HydrophobicContact CG-CG2 3.96Å; I1126-V1137 HydrophobicContact CD1-CG2 4.23Å
1138	L	78.4	Confident	69.1	Low	60 Å²	60	92.5 Å²	92.5	31%	0.314	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	145.5	166.5	-55.6	179.9	0	0	0	108.8	F1107 Q1108 A1110	F1107-L1138 CarbonylContact C-O 3.21Å; F1107-L1138 WeakPolarHBondContact CA-O 3.38Å; Q1108-L1138 HydrophobicContact CB-CB 4.37Å; Q1108-L1138 PolarHBondContact N-O 3.38Å; Q1108-L1138 PolarHBondContact O-N 2.87Å; A1110-L1138 HydrophobicContact CB-CD1 4.27Å; A1110-L1138 HydrophobicContact CB-CD2 3.98Å; A1110-L1138 HydrophobicContact CB-CG 3.86Å
1139	F	81.7	Confident	68	Low	90 Å²	90	86 Å²	86	40%	0.395	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	117	176.1	177.2	-102	0	0	0	109.4	P1106 F1107 P1141	P1106-F1139 HydrophobicContact CB-CD2 4.05Å; P1106-F1139 HydrophobicContact CB-CE2 3.74Å; P1106-F1139 HydrophobicContact CG-CD2 4.44Å; P1106-F1139 HydrophobicContact CG-CE2 3.98Å; P1106-F1139 WeakPolarHBondContact O-CA 3.19Å; F1107-F1139 HydrophobicContact CD1-CB 4.46Å; F1107-F1139 AromaticContact CD1-CD2 3.67Å; F1107-F1139 HydrophobicContact CD1-CD2 3.67Å; F1107-F1139 HydrophobicContact CD1-CE2 4.48Å; F1107-F1139 AromaticContact CE1-CD2 3.48Å; F1107-F1139 HydrophobicContact CE1-CD2 3.48Å; F1107-F1139 VanDerWaalsContact CE1-CD2 3.48Å; F1107-F1139 AromaticContact CE1-CE2 3.99Å; F1107-F1139 HydrophobicContact CE1-CE2 3.99Å; F1107-F1139 HydrophobicContact CE1-CG 4.41Å; F1107-F1139 HydrophobicContact CG-CD2 4.35Å; F1107-F1139 HydrophobicContact CZ-CD2 4.03Å; F1107-F1139 HydrophobicContact CZ-CE2 4.08Å; F1139-P1141 HydrophobicContact CD1-CB 3.92Å; F1139-P1141 HydrophobicContact CE1-CB 3.78Å; F1139-P1141 WeakPolarHBondContact O-CD 3.38Å
1140	H	68.2	Low	67.3	Low	92 Å²	92	83.5 Å²	83.5	43%	0.426	41%	0.412	S	S	.	.			trans	-81.8	116.6	175	-84.7	-96.1	0	0	0	109.9	P1106	P1106-H1140 PolarHBondContact O-N 2.76Å
1141	P	56.1	Low	66.5	Low	75 Å²	75	83.9 Å²	83.9	49%	0.487	41%	0.414	S	S	.	.			trans	-108.3	69	-162.5	40.7	-34	0	0	0	114.3	F1139 R1143	F1139-P1141 HydrophobicContact CD1-CB 3.92Å; F1139-P1141 HydrophobicContact CE1-CB 3.78Å; F1139-P1141 WeakPolarHBondContact O-CD 3.38Å; P1141-R1143 PolarHBondContact O-N 2.78Å
1142	E	42.3	Very low	66.2	Low	99 Å²	99	83 Å²	83	46%	0.463	41%	0.41	S	S	.	.			trans	-79.5	105.5	172.4	-77	172.7	-145.9	0	0	111.5	T1144 M1145	E1142-T1144 PolarHBondContact O-N 3.38Å; E1142-M1145 WeakPolarHBondContact OE2-CE 3.45Å
1143	R	43.9	Very low	65.9	Low	173 Å²	173	78 Å²	78	65%	0.653	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.1	-161.9	-93.4	-174.5	172.6	135.5	6	116.4	P1141	P1141-R1143 PolarHBondContact O-N 2.78Å
1144	T	47	Very low	66.3	Low	92 Å²	92	76.2 Å²	76.2	56%	0.564	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-20.9	-176.1	49.6	0	0	0	0	113.8	E1142	E1142-T1144 PolarHBondContact O-N 3.38Å
1145	M	52.2	Low	65.5	Low	43 Å²	43	73.3 Å²	73.3	21%	0.212	35%	0.353	C	S	.	.	H	α-helix	trans	-68.6	-48.4	-177.4	-72.3	-141.5	-170.7	0	0	113	D560 E1142 S1147 R1148 I1149	D560-M1145 VanDerWaalsContact OD1-CE 3.28Å; D560-M1145 WeakPolarHBondContact OD1-CE 3.34Å; E1142-M1145 WeakPolarHBondContact OE2-CE 3.45Å; M1145-S1147 PolarHBondContact O-N 2.9Å; M1145-R1148 CarbonylContact O-C 3.59Å; M1145-R1148 WeakPolarHBondContact O-CA 3.32Å; M1145-R1148 WeakPolarHBondContact O-CB 3.17Å; M1145-R1148 PolarHBondContact O-N 3.35Å; M1145-I1149 HydrophobicContact CB-CD1 3.84Å; M1145-I1149 HydrophobicContact CB-CG1 4.19Å; M1145-I1149 WeakPolarHBondContact O-CB 3.32Å; M1145-I1149 VanDerWaalsContact O-CG1 3.3Å; M1145-I1149 WeakPolarHBondContact O-CG1 3.25Å; M1145-I1149 PolarHBondContact O-N 3.02Å
1146	V	57.3	Low	64.3	Low	49 Å²	49	70.9 Å²	70.9	30%	0.297	35%	0.347	S	S	.	.	H	α-helix	trans	-54.4	-33.9	-167	-177.3	0	0	0	0	114.3	V1095 V1150	V1095-V1146 HydrophobicContact CG1-CG1 3.89Å; V1095-V1146 HydrophobicContact CG2-CG1 4.31Å; V1146-V1150 WeakPolarHBondContact O-CB 3.49Å; V1146-V1150 WeakPolarHBondContact O-CG2 3.28Å; V1146-V1150 PolarHBondContact O-N 2.67Å; V1146-V1150 VanDerWaalsContact O-N 3.14Å
1147	S	56.7	Low	63.4	Low	83 Å²	83	67.8 Å²	67.8	58%	0.58	34%	0.336	S	S	*	.	H	α-helix	trans	-71	-47	174.7	-158	0	0	0	0	112.1	M1145 I1149 V1150 Q1151	M1145-S1147 PolarHBondContact O-N 2.9Å; S1147-I1149 VanDerWaalsContact C-N 3.3Å; S1147-I1149 PolarHBondContact O-N 3.32Å; S1147-V1150 PolarHBondContact O-N 2.77Å; S1147-Q1151 WeakPolarHBondContact O-CB 3.21Å; S1147-Q1151 PolarHBondContact O-N 2.85Å; S1147-Q1151 PolarHBondContact O-OE1 2.83Å
1148	R	58.2	Low	61.6	Low	169 Å²	169	67.6 Å²	67.6	64%	0.638	34%	0.336	S	S	*	.	H	α-helix	trans	-60.7	-38.5	174.9	-60	179.2	-177.2	175.1	0	112.1	M1145 Q1151 R1152	M1145-R1148 CarbonylContact O-C 3.59Å; M1145-R1148 WeakPolarHBondContact O-CA 3.32Å; M1145-R1148 WeakPolarHBondContact O-CB 3.17Å; M1145-R1148 PolarHBondContact O-N 3.35Å; R1148-Q1151 WeakPolarHBondContact O-CB 3.38Å; R1148-Q1151 PolarHBondContact O-N 3.1Å; R1148-R1152 WeakPolarHBondContact O-CB 3.19Å; R1148-R1152 PolarHBondContact O-N 3.07Å
1149	I	64.7	Low	59.4	Low	10 Å²	10	71.3 Å²	71.3	5%	0.051	36%	0.356	C	S	.	.	H	α-helix	trans	-60.4	-48	175.5	-72.3	-176.2	0	0	0	110.5	A1098 L1102 M1145 S1147 R1152 C1153	A1098-I1149 HydrophobicContact CB-CG2 3.54Å; A1098-I1149 WeakPolarHBondContact O-CG2 3.32Å; L1102-I1149 HydrophobicContact CD1-CB 3.95Å; L1102-I1149 HydrophobicContact CD1-CD1 3.84Å; L1102-I1149 HydrophobicContact CD1-CG1 3.44Å; L1102-I1149 VanDerWaalsContact CD1-CG1 3.44Å; L1102-I1149 HydrophobicContact CD1-CG2 3.74Å; M1145-I1149 HydrophobicContact CB-CD1 3.84Å; M1145-I1149 HydrophobicContact CB-CG1 4.19Å; M1145-I1149 WeakPolarHBondContact O-CB 3.32Å; M1145-I1149 VanDerWaalsContact O-CG1 3.3Å; M1145-I1149 WeakPolarHBondContact O-CG1 3.25Å; M1145-I1149 PolarHBondContact O-N 3.02Å; S1147-I1149 VanDerWaalsContact C-N 3.3Å; S1147-I1149 PolarHBondContact O-N 3.32Å; I1149-R1152 PolarHBondContact O-N 2.94Å; I1149-C1153 PolarHBondContact O-N 3.46Å; I1149-C1153 PolarHBondContact O-SG 2.96Å
1150	V	68.5	Low	57.1	Low	10 Å²	10	70.7 Å²	70.7	6%	0.061	36%	0.356	C	S	.	.	H	α-helix	trans	-71.6	-32	178.5	166.6	0	0	0	0	112.1	V1095 A1098 V1146 S1147 F1154 L1157	V1095-V1150 HydrophobicContact CB-CG2 4.42Å; V1095-V1150 HydrophobicContact CG2-CG2 3.99Å; A1098-V1150 HydrophobicContact CB-CG2 3.83Å; V1146-V1150 WeakPolarHBondContact O-CB 3.49Å; V1146-V1150 WeakPolarHBondContact O-CG2 3.28Å; V1146-V1150 PolarHBondContact O-N 2.67Å; V1146-V1150 VanDerWaalsContact O-N 3.14Å; S1147-V1150 PolarHBondContact O-N 2.77Å; V1150-F1154 WeakPolarHBondContact O-CB 3.46Å; V1150-F1154 PolarHBondContact O-N 3.1Å; V1150-F1154 VanDerWaalsContact O-N 3.07Å; V1150-L1157 HydrophobicContact CG1-CD1 3.5Å
1151	Q	66.6	Low	55.2	Low	46 Å²	46	71.6 Å²	71.6	22%	0.215	37%	0.365	C	S	.	.	H	α-helix	trans	-63.9	-44.3	167.3	-83.4	166.5	-53.7	0	0	111.8	S1147 R1148 F1154 P1155 L1157 S1158 D1161	S1147-Q1151 WeakPolarHBondContact O-CB 3.21Å; S1147-Q1151 PolarHBondContact O-N 2.85Å; S1147-Q1151 PolarHBondContact O-OE1 2.83Å; R1148-Q1151 WeakPolarHBondContact O-CB 3.38Å; R1148-Q1151 PolarHBondContact O-N 3.1Å; Q1151-F1154 CarbonylContact O-C 3.48Å; Q1151-F1154 PolarHBondContact O-N 3.34Å; Q1151-P1155 WeakPolarHBondContact O-CA 3.33Å; Q1151-P1155 WeakPolarHBondContact O-CD 3.42Å; Q1151-P1155 WeakPolarHBondContact O-CG 3.49Å; Q1151-L1157 HydrophobicContact CG-CB 4.39Å; Q1151-S1158 VanDerWaalsContact CB-OG 3.27Å; Q1151-S1158 WeakPolarHBondContact CB-OG 3.42Å; Q1151-S1158 WeakPolarHBondContact CG-OG 3.44Å; Q1151-S1158 PolarHBondContact O-OG 2.79Å; Q1151-D1161 PolarHBondContact NE2-OD2 3.46Å
1152	R	69.8	Low	53.7	Low	166 Å²	166	71 Å²	71	63%	0.626	37%	0.372	S	S	*	.	H	α-helix	trans	-65.8	-41.2	179.6	-173.9	-176.9	172.8	105	-0.7	112.8	I1082 R1148 I1149 P1155	I1082-R1152 HydrophobicContact CD1-CG 4.24Å; R1148-R1152 WeakPolarHBondContact O-CB 3.19Å; R1148-R1152 PolarHBondContact O-N 3.07Å; I1149-R1152 PolarHBondContact O-N 2.94Å; R1152-P1155 WeakPolarHBondContact O-CD 3.44Å
1153	C	71.3	Confident	52.8	Low	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-78.5	-25.6	179.8	-57.1	0	0	0	0	112.6	C1080 Q1081 I1082 A1098 I1149	C1080-C1153 PolarHBondContact SG-O 3.41Å; Q1081-C1153 PolarHBondContact N-O 2.87Å; I1082-C1153 HydrophobicContact CD1-CB 4.25Å; A1098-C1153 VanDerWaalsContact CA-SG 3.54Å; A1098-C1153 HydrophobicContact CB-CB 3.73Å; A1098-C1153 WeakPolarHBondContact CB-SG 3.28Å; I1149-C1153 PolarHBondContact O-N 3.46Å; I1149-C1153 PolarHBondContact O-SG 2.96Å
1154	F	83.9	Confident	52.2	Low	4 Å²	4	63.8 Å²	63.8	2%	0.018	36%	0.359	C	S	.	.			trans	-133.1	67.4	178.7	-55.9	-88.2	0	0	0	112	T1079 C1080 V1087 L1094 H1097 A1098 V1150 Q1151 A1156 L1157	T1079-F1154 VanDerWaalsContact O-CD1 3.25Å; T1079-F1154 WeakPolarHBondContact O-CD1 2.98Å; C1080-F1154 HydrophobicContact CB-CD1 4.36Å; C1080-F1154 HydrophobicContact CB-CE1 3.75Å; C1080-F1154 HydrophobicContact CB-CZ 3.99Å; V1087-F1154 HydrophobicContact CB-CE1 4.48Å; V1087-F1154 HydrophobicContact CB-CZ 4.3Å; V1087-F1154 HydrophobicContact CG2-CZ 4.29Å; L1094-F1154 HydrophobicContact CB-CD2 4.29Å; L1094-F1154 HydrophobicContact CB-CE2 3.74Å; L1094-F1154 HydrophobicContact CB-CZ 4.06Å; L1094-F1154 HydrophobicContact CD2-CD1 4.11Å; L1094-F1154 HydrophobicContact CD2-CD2 4.47Å; L1094-F1154 HydrophobicContact CD2-CE1 3.46Å; L1094-F1154 VanDerWaalsContact CD2-CE1 3.46Å; L1094-F1154 HydrophobicContact CD2-CE2 3.89Å; L1094-F1154 HydrophobicContact CD2-CZ 3.34Å; L1094-F1154 HydrophobicContact CG-CE2 4.45Å; L1094-F1154 HydrophobicContact CG-CZ 4.3Å; L1094-F1154 WeakPolarHBondContact O-CE2 3.08Å; H1097-F1154 HydrophobicContact CB-CZ 4.45Å; H1097-F1154 AromaticContact CD2-CZ 3.57Å; A1098-F1154 HydrophobicContact CB-CE2 4.4Å; V1150-F1154 WeakPolarHBondContact O-CB 3.46Å; V1150-F1154 PolarHBondContact O-N 3.1Å; V1150-F1154 VanDerWaalsContact O-N 3.07Å; Q1151-F1154 CarbonylContact O-C 3.48Å; Q1151-F1154 PolarHBondContact O-N 3.34Å; F1154-A1156 CarbonylContact O-C 3.1Å; F1154-A1156 PolarHBondContact O-N 3.42Å; F1154-L1157 HydrophobicContact CB-CD1 3.85Å; F1154-L1157 WeakPolarHBondContact O-CB 3.49Å; F1154-L1157 PolarHBondContact O-N 3.21Å
1155	P	60.6	Low	51.6	Low	35 Å²	35	61 Å²	61	23%	0.227	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-53	-19.6	-175.4	-33	39.8	0	0	0	116.8	Q1151 R1152 L1157 S1158 N1159	Q1151-P1155 WeakPolarHBondContact O-CA 3.33Å; Q1151-P1155 WeakPolarHBondContact O-CD 3.42Å; Q1151-P1155 WeakPolarHBondContact O-CG 3.49Å; R1152-P1155 WeakPolarHBondContact O-CD 3.44Å; P1155-L1157 PolarHBondContact O-N 3.02Å; P1155-S1158 WeakPolarHBondContact O-CA 3.14Å; P1155-S1158 WeakPolarHBondContact O-CB 2.92Å; P1155-S1158 PolarHBondContact O-N 3.17Å; P1155-S1158 PolarHBondContact O-OG 3.01Å; P1155-N1159 PolarHBondContact O-N 3.2Å
1156	A	59.2	Low	50.4	Low	42 Å²	42	59.8 Å²	59.8	35%	0.347	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-65.5	4.6	164.6	0	0	0	0	0	115.1	R30 F1154	R30-A1156 PolarHBondContact NE-O 2.96Å; R30-A1156 VanDerWaalsContact NH1-CB 3.3Å; R30-A1156 PolarHBondContact NH1-O 3.37Å; R30-A1156 VanDerWaalsContact NH1-O 3.14Å; R30-A1156 PolarHBondContact NH2-O 3.06Å; F1154-A1156 CarbonylContact O-C 3.1Å; F1154-A1156 PolarHBondContact O-N 3.42Å
1157	L	59.7	Low	49	Very low	51 Å²	51	61.1 Å²	61.1	27%	0.267	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-91.7	-38.3	160.5	-98	137.5	0	0	0	111.4	R30 V1150 Q1151 F1154 P1155	R30-L1157 VanDerWaalsContact NH2-N 3.14Å; V1150-L1157 HydrophobicContact CG1-CD1 3.5Å; Q1151-L1157 HydrophobicContact CG-CB 4.39Å; F1154-L1157 HydrophobicContact CB-CD1 3.85Å; F1154-L1157 WeakPolarHBondContact O-CB 3.49Å; F1154-L1157 PolarHBondContact O-N 3.21Å; P1155-L1157 PolarHBondContact O-N 3.02Å
1158	S	46.5	Very low	47.5	Very low	30 Å²	30	64.9 Å²	64.9	21%	0.21	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-32.9	-180	-34	0	0	0	0	111.4	Q1151 P1155 L1160 D1161	Q1151-S1158 VanDerWaalsContact CB-OG 3.27Å; Q1151-S1158 WeakPolarHBondContact CB-OG 3.42Å; Q1151-S1158 WeakPolarHBondContact CG-OG 3.44Å; Q1151-S1158 PolarHBondContact O-OG 2.79Å; P1155-S1158 WeakPolarHBondContact O-CA 3.14Å; P1155-S1158 WeakPolarHBondContact O-CB 2.92Å; P1155-S1158 PolarHBondContact O-N 3.17Å; P1155-S1158 PolarHBondContact O-OG 3.01Å; S1158-L1160 PolarHBondContact O-N 3.2Å; S1158-D1161 WeakPolarHBondContact CA-OD2 3.3Å; S1158-D1161 WeakPolarHBondContact O-CB 2.98Å; S1158-D1161 PolarHBondContact O-N 3.24Å; S1158-D1161 VanDerWaalsContact O-OD2 3.12Å
1159	N	32.3	Very low	45.8	Very low	138 Å²	138	62.8 Å²	62.8	74%	0.738	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	40	172.7	-64.3	6.7	0	0	0	112.2	P1155	P1155-N1159 PolarHBondContact O-N 3.2Å
1160	L	33.6	Very low	43.7	Very low	77 Å²	77	68 Å²	68	40%	0.403	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	3.4	162	-113.3	-179.9	0	0	0	112	L31 S1158	L31-L1160 HydrophobicContact CB-CD1 4.37Å; L31-L1160 HydrophobicContact CD2-CD1 3.6Å; L31-L1160 HydrophobicContact CD2-CD2 4.17Å; L31-L1160 HydrophobicContact CD2-CG 3.59Å; L31-L1160 HydrophobicContact CG-CD1 3.64Å; L31-L1160 HydrophobicContact CG-CG 4.2Å; S1158-L1160 PolarHBondContact O-N 3.2Å
1161	D	28.5	Very low	41.5	Very low	112 Å²	112	71.4 Å²	71.4	60%	0.599	43%	0.43	S	S	*	.			trans	-76	133.2	173.5	-71.3	-53.5	0	0	0	110.3	Q1151 S1158	Q1151-D1161 PolarHBondContact NE2-OD2 3.46Å; S1158-D1161 WeakPolarHBondContact CA-OD2 3.3Å; S1158-D1161 WeakPolarHBondContact O-CB 2.98Å; S1158-D1161 PolarHBondContact O-N 3.24Å; S1158-D1161 VanDerWaalsContact O-OD2 3.12Å
1162	G	24.4	Very low	39.3	Very low	62 Å²	62	72.9 Å²	72.9	64%	0.639	46%	0.457	S	S	*	.	S	Bend	trans	97.7	118.8	165.3	0	0	0	0	0	115.8	G1164	G1162-G1164 VanDerWaalsContact C-CA 3.41Å; G1162-G1164 WeakPolarHBondContact O-CA 3.41Å; G1162-G1164 PolarHBondContact O-N 3.31Å
1163	N	23.8	Very low	37	Very low	82 Å²	82	70.5 Å²	70.5	44%	0.439	47%	0.466	S	S	.	.	S	Bend	trans	42.5	42.6	156.2	-60.7	2.9	0	0	0	117.1	Q1166 P1184 V1185	N1163-Q1166 CarbonylContact O-C 3.56Å; N1163-Q1166 PolarHBondContact O-N 3.22Å; N1163-P1184 PolarHBondContact ND2-O 2.9Å; N1163-P1184 VanDerWaalsContact OD1-C 3.26Å; N1163-P1184 PolarHBondContact OD1-O 3.4Å; N1163-V1185 PolarHBondContact OD1-N 3.36Å; N1163-V1185 PolarHBondContact OD1-O 2.98Å
1164	G	32	Very low	34.7	Very low	39 Å²	39	76.4 Å²	76.4	40%	0.402	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	cis	132.9	-74	10.4	0	0	0	0	0	114.2	V34 G1162	V34-G1164 WeakPolarHBondContact CG2-O 3.43Å; G1162-G1164 VanDerWaalsContact C-CA 3.41Å; G1162-G1164 WeakPolarHBondContact O-CA 3.41Å; G1162-G1164 PolarHBondContact O-N 3.31Å
1165	S	34.8	Very low	32.3	Very low	34 Å²	34	81.6 Å²	81.6	24%	0.238	54%	0.542	C	S	.	.	T	Hydrogen-bonded Turn	cis	62	-111.2	42.8	-22.7	0	0	0	0	112.2	V34 V1185 V1186	V34-S1165 WeakPolarHBondContact CA-O 3.34Å; V34-S1165 WeakPolarHBondContact CB-O 3.28Å; V34-S1165 WeakPolarHBondContact CG2-O 3.41Å; S1165-V1185 VanDerWaalsContact CB-O 3.28Å; S1165-V1185 WeakPolarHBondContact CB-O 3.41Å; S1165-V1185 PolarHBondContact OG-O 3.46Å; S1165-V1186 WeakPolarHBondContact CB-O 3.11Å
1166	Q	26.7	Very low	30.4	Very low	17 Å²	17	87.4 Å²	87.4	8%	0.079	57%	0.571	C	S	.	*	S	Bend	trans	-157.2	127.2	-147.2	-87.2	-149.5	-11.1	0	0	120	V34 R35 A36 N1163 L1187	V34-Q1166 VanDerWaalsContact CG1-CA 3.46Å; R35-Q1166 VanDerWaalsContact CA-CG 3.44Å; R35-Q1166 HydrophobicContact CB-CB 4.22Å; R35-Q1166 HydrophobicContact CB-CG 4.48Å; R35-Q1166 VanDerWaalsContact CG-C 3.4Å; R35-Q1166 HydrophobicContact CG-CB 3.56Å; R35-Q1166 HydrophobicContact CG-CG 4.19Å; R35-Q1166 PolarHBondContact NH2-O 3.33Å; R35-Q1166 PolarHBondContact O-NE2 2.86Å; A36-Q1166 VanDerWaalsContact CA-CD 3.41Å; A36-Q1166 VanDerWaalsContact O-CD 3.32Å; A36-Q1166 PolarHBondContact O-NE2 3.43Å; A36-Q1166 PolarHBondContact O-OE1 2.67Å; A36-Q1166 VanDerWaalsContact O-OE1 3.04Å; N1163-Q1166 CarbonylContact O-C 3.56Å; N1163-Q1166 PolarHBondContact O-N 3.22Å; Q1166-L1187 HydrophobicContact CG-CB 3.76Å; Q1166-L1187 HydrophobicContact CG-CD1 3.81Å; Q1166-L1187 HydrophobicContact CG-CG 4.26Å
1167	L	26.8	Very low	28.8	Very low	76 Å²	76	90 Å²	90	40%	0.398	59%	0.586	S	S	.	*			trans	-56.5	121.6	-165.8	-86.5	173.1	0	0	0	118.6	V34 R35 L1169	V34-L1167 HydrophobicContact CB-CB 4.5Å; V34-L1167 HydrophobicContact CB-CG 4.03Å; V34-L1167 HydrophobicContact CG1-CB 3.95Å; V34-L1167 HydrophobicContact CG1-CD2 4.01Å; V34-L1167 HydrophobicContact CG1-CG 3.72Å; V34-L1167 WeakPolarHBondContact O-CD1 3.13Å; V34-L1167 WeakPolarHBondContact O-CG 3.5Å; R35-L1167 VanDerWaalsContact CA-N 3.28Å; R35-L1167 HydrophobicContact CB-CB 3.83Å; R35-L1167 VanDerWaalsContact CB-N 3.26Å; R35-L1167 WeakPolarHBondContact CD-O 3.2Å; R35-L1167 HydrophobicContact CG-CB 4.43Å; R35-L1167 VanDerWaalsContact CG-O 3.27Å; R35-L1167 WeakPolarHBondContact CG-O 3.35Å; R35-L1167 VanDerWaalsContact N-N 3.2Å; R35-L1167 PolarHBondContact NH1-O 3.05Å; L1167-L1169 PolarHBondContact O-N 2.98Å; L1167-L1169 VanDerWaalsContact O-N 3.15Å
1168	L	26.2	Very low	27.2	Very low	162 Å²	162	93.9 Å²	93.9	85%	0.848	61%	0.613	S	S	*	*	S	Bend	trans	34.9	65.2	133.4	-62.4	178.2	0	0	0	117.6
1169	L	21.3	Very low	26	Very low	125 Å²	125	100.8 Å²	100.8	65%	0.654	65%	0.645	S	S	*	*			trans	-156.5	126.8	169.1	-116.4	154	0	0	0	110.9	R35 L1167	R35-L1169 VanDerWaalsContact NH1-N 3.17Å; R35-L1169 PolarHBondContact NH1-O 3.26Å; L1167-L1169 PolarHBondContact O-N 2.98Å; L1167-L1169 VanDerWaalsContact O-N 3.15Å
1170	S	21.6	Very low	25.4	Very low	119 Å²	119	100 Å²	100	83%	0.832	65%	0.65	S	S	*	*			trans	62.9	138.7	176.7	-49	0	0	0	0	115.9
1171	G	21.9	Very low	24.7	Very low	82 Å²	82	99.6 Å²	99.6	85%	0.845	67%	0.665	S	S	*	*			cis	135.3	102.6	2.7	0	0	0	0	0	109.3
1172	G	20.8	Very low	24.4	Very low	77 Å²	77	102.8 Å²	102.8	79%	0.794	68%	0.68	S	S	*	*			trans	-176	54.8	-166.7	0	0	0	0	0	114.7
1173	S	21.5	Very low	24.3	Very low	117 Å²	117	104.9 Å²	104.9	82%	0.818	69%	0.686	S	S	*	*			trans	52.2	101.1	152.6	-54	0	0	0	0	120.8
1174	S	23.4	Very low	24.8	Very low	124 Å²	124	105.5 Å²	105.5	87%	0.867	69%	0.694	S	S	*	*			trans	61	154.8	139.1	-69.9	0	0	0	0	121.7
1175	P	31.9	Very low	24.4	Very low	113 Å²	113	107.7 Å²	107.7	73%	0.734	70%	0.699	S	S	*	*			trans	-98.2	152.9	-168.4	37.7	-35	0	0	0	114.6
1176	N	20.8	Very low	24	Very low	156 Å²	156	111.1 Å²	111.1	83%	0.834	72%	0.718	S	S	*	*			trans	-155.7	139.9	131.5	-109.7	-24.7	0	0	0	112.1
1177	S	26.1	Very low	23.8	Very low	96 Å²	96	114 Å²	114	67%	0.671	73%	0.734	S	S	*	*			trans	21.7	106.6	160.4	58.7	0	0	0	0	120.6
1178	T	25.6	Very low	23.9	Very low	134 Å²	134	116 Å²	116	82%	0.822	75%	0.75	S	S	*	*			trans	30.7	97.3	137.5	53.9	0	0	0	0	119.6
1179	I	21.3	Very low	24.4	Very low	174 Å²	174	114.5 Å²	114.5	89%	0.892	75%	0.749	S	S	*	*			trans	-164.6	166.1	145.7	-107.6	156.2	0	0	0	110.7
1180	S	20.3	Very low	24.6	Very low	121 Å²	121	111.4 Å²	111.4	85%	0.846	75%	0.748	S	S	*	*			trans	-80	144.3	-166.7	-46	0	0	0	0	116.4
1181	G	19.9	Very low	24.8	Very low	70 Å²	70	112.6 Å²	112.6	72%	0.722	75%	0.751	S	S	*	*			trans	157.3	124.6	150.6	0	0	0	0	0	121
1182	I	21.5	Very low	25.4	Very low	178 Å²	178	114.1 Å²	114.1	91%	0.913	75%	0.745	S	S	*	*			trans	79.1	151.7	138.1	-55.8	172.6	0	0	0	120.2
1183	S	22.2	Very low	25.7	Very low	107 Å²	107	118.6 Å²	118.6	75%	0.748	75%	0.751	S	S	*	*			trans	-83.4	-164.5	-175.4	-39.9	0	0	0	0	113.9
1184	P	34.2	Very low	26	Very low	94 Å²	94	117.9 Å²	117.9	61%	0.61	75%	0.753	S	S	*	*			cis	-129.7	-173.4	-2.2	27.5	-0.8	0	0	0	114.5	N1163	N1163-P1184 PolarHBondContact ND2-O 2.9Å; N1163-P1184 VanDerWaalsContact OD1-C 3.26Å; N1163-P1184 PolarHBondContact OD1-O 3.4Å
1185	V	23.5	Very low	26.3	Very low	85 Å²	85	117.1 Å²	117.1	52%	0.515	75%	0.747	S	S	.	*				177.5	151	76.5	170.2	0	0	0	0	113.7	N1163 S1165	N1163-V1185 PolarHBondContact OD1-N 3.36Å; N1163-V1185 PolarHBondContact OD1-O 2.98Å; S1165-V1185 VanDerWaalsContact CB-O 3.28Å; S1165-V1185 WeakPolarHBondContact CB-O 3.41Å; S1165-V1185 PolarHBondContact OG-O 3.46Å
1186	V	26.6	Very low	26.4	Very low	106 Å²	106	118.3 Å²	118.3	64%	0.642	75%	0.753	S	S	*	*			trans	-31.5	152.2	171.3	176.3	0	0	0	0	122.4	S1165	S1165-V1186 WeakPolarHBondContact CB-O 3.11Å
1187	L	23.4	Very low	27	Very low	78 Å²	78	118.4 Å²	118.4	41%	0.408	75%	0.751	S	S	.	*			trans	-175.3	-179.1	133.9	-97.3	134.4	0	0	0	115.9	Q1166	Q1166-L1187 HydrophobicContact CG-CB 3.76Å; Q1166-L1187 HydrophobicContact CG-CD1 3.81Å; Q1166-L1187 HydrophobicContact CG-CG 4.26Å
1188	T	27.2	Very low	27.3	Very low	118 Å²	118	120.5 Å²	120.5	72%	0.724	75%	0.754	S	S	*	*			trans	-110.6	175.5	-136.4	39.9	0	0	0	0	119.7
1189	P	38.3	Very low	27.8	Very low	130 Å²	130	123.8 Å²	123.8	84%	0.844	75%	0.752	S	S	*	*			trans	-119.3	175.6	-159.5	43.7	-34.4	0	0	0	118.5
1190	G	23.8	Very low	29.1	Very low	61 Å²	61	122.2 Å²	122.2	63%	0.629	74%	0.738	S	S	*	*			trans	-167.4	99.2	170.8	0	0	0	0	0	119.8
1191	T	27.5	Very low	31.4	Very low	144 Å²	144	118.8 Å²	118.8	88%	0.883	71%	0.71	S	S	*	*			trans	71.7	169.7	151.3	92.4	0	0	0	0	118.2
1192	P	34.6	Very low	33.6	Very low	113 Å²	113	119.1 Å²	119.1	73%	0.734	70%	0.698	S	S	*	*				-138.9	142.1	-115.5	34.9	-11.1	0	0	0	118.5
1193	N	26.3	Very low	36.2	Very low	172 Å²	172	110.7 Å²	110.7	92%	0.92	66%	0.655	S	S	*	*			trans	-154.1	84.9	157.2	-114.3	-26.5	0	0	0	111.4
1194	A	26.9	Very low	38.5	Very low	102 Å²	102	109.3 Å²	109.3	84%	0.843	64%	0.635	S	S	*	*			trans	-143.8	67.5	-169.9	0	0	0	0	0	114
1195	S	29.6	Very low	40.3	Very low	108 Å²	108	109 Å²	109	76%	0.755	63%	0.628	S	S	*	*	S	Bend	trans	-140.3	26.4	175.8	52.8	0	0	0	0	115.6
1196	T	35.3	Very low	42.6	Very low	138 Å²	138	108.2 Å²	108.2	85%	0.847	63%	0.626	S	S	*	*	S	Bend	trans	-140.8	17.1	175.4	8	0	0	0	0	116.2
1197	I	33.2	Very low	44.4	Very low	157 Å²	157	107.1 Å²	107.1	81%	0.805	62%	0.616	S	S	*	*			trans	-122.3	85.1	169.8	-51.7	-179.2	0	0	0	110.2	R1199	I1197-R1199 PolarHBondContact O-N 3.25Å
1198	L	31.5	Very low	46.4	Very low	141 Å²	141	104.7 Å²	104.7	74%	0.738	61%	0.611	S	S	*	*			trans	-60.1	126.1	172.9	-71	161.1	0	0	0	110.6	K1200 D1212	L1198-K1200 PolarHBondContact O-N 3.19Å; L1198-D1212 WeakPolarHBondContact CD2-OD1 3.27Å
1199	R	36.8	Very low	48.2	Very low	202 Å²	202	102.5 Å²	102.5	76%	0.762	60%	0.6	S	S	*	*			trans	-93.6	98.8	-176.2	-72.8	-178.9	177.1	157.8	-1.3	109.6	I1197 L1201 D1212	I1197-R1199 PolarHBondContact O-N 3.25Å; R1199-L1201 PolarHBondContact O-N 3.33Å; R1199-D1212 PolarHBondContact N-OD2 3.2Å
1200	K	49.5	Very low	49.7	Very low	141 Å²	141	97.4 Å²	97.4	61%	0.613	57%	0.565	S	S	*	*			trans	-59.2	110.1	173	-60.6	179.5	-176.5	174.3	0	110.5	L1198 V1202 I1210	L1198-K1200 PolarHBondContact O-N 3.19Å; K1200-V1202 PolarHBondContact O-N 3.46Å; K1200-I1210 CarbonylContact C-O 3.21Å; K1200-I1210 WeakPolarHBondContact CA-O 3.29Å
1201	L	68	Low	51.7	Low	49 Å²	49	97 Å²	97	26%	0.257	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70	123.6	175.6	-66.1	171.5	0	0	0	110	R1199 S1209 I1210 I1217 F1280	R1199-L1201 PolarHBondContact O-N 3.33Å; L1201-S1209 CarbonylContact O-C 3.6Å; L1201-I1210 PolarHBondContact N-O 3.21Å; L1201-I1210 PolarHBondContact O-N 3.07Å; L1201-I1217 HydrophobicContact CD1-CD1 3.46Å; L1201-I1217 VanDerWaalsContact CD1-CD1 3.46Å; L1201-I1217 HydrophobicContact CD1-CG1 3.92Å; L1201-F1280 HydrophobicContact CB-CD1 4.14Å; L1201-F1280 HydrophobicContact CB-CE1 3.74Å
1202	V	65.8	Low	53.1	Low	78 Å²	78	93.3 Å²	93.3	47%	0.473	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.1	176.9	-178.9	0	0	0	0	109.5	K1200	K1200-V1202 PolarHBondContact O-N 3.46Å
1203	C	75.1	Confident	54.8	Low	0 Å²	0	91.8 Å²	91.8	0%	0	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-74	127	177.3	168.3	0	0	0	0	111.6	L1205 C1206 N1207 G1208 I1210 H1220 H1224 C1279 F1280	C1203-L1205 PolarHBondContact O-N 3.12Å; C1203-L1205 PolarHBondContact SG-N 2.9Å; C1203-C1206 PolarHBondContact O-N 3.21Å; C1203-N1207 WeakPolarHBondContact O-CA 3.15Å; C1203-N1207 PolarHBondContact O-N 3.37Å; C1203-G1208 PolarHBondContact N-O 2.8Å; C1203-G1208 VanDerWaalsContact N-O 3.07Å; C1203-I1210 HydrophobicContact CB-CD1 3.81Å; C1203-H1220 WeakPolarHBondContact CB-CE1 3.47Å; C1203-H1220 WeakPolarHBondContact CB-NE2 3.35Å; C1203-H1220 PolarHBondContact SG-CE1 3.41Å; C1203-H1220 PolarHBondContact SG-NE2 3.24Å; C1203-H1224 PolarHBondContact SG-NE2 2.05Å; C1203-C1279 HydrophobicContact CB-CB 4.39Å; C1203-C1279 VanDerWaalsContact SG-CB 3.57Å; C1203-C1279 PolarHBondContact SG-SG 3.08Å; C1203-F1280 HydrophobicContact CB-CE1 3.94Å; C1203-F1280 HydrophobicContact CB-CZ 3.87Å
1204	K	71.1	Confident	56.4	Low	78 Å²	78	88.1 Å²	88.1	34%	0.339	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.7	177.8	-63.9	-166	-176.4	179.7	0	114.6	C1279 P1281 N1282	K1204-C1279 PolarHBondContact N-O 3.39Å; K1204-P1281 HydrophobicContact CD-CG 3.78Å; K1204-N1282 WeakPolarHBondContact CE-OD1 3.23Å; K1204-N1282 PolarHBondContact NZ-OD1 3.37Å
1205	L	72.2	Confident	58.5	Low	87 Å²	87	91.2 Å²	91.2	46%	0.455	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-12.6	-176.3	-62.5	-178.7	0	0	0	115	C1203 H1224 M1275 R1278	C1203-L1205 PolarHBondContact O-N 3.12Å; C1203-L1205 PolarHBondContact SG-N 2.9Å; L1205-H1224 VanDerWaalsContact C-CE1 3.43Å; L1205-H1224 WeakPolarHBondContact CB-CE1 3.18Å; L1205-H1224 PolarHBondContact O-CE1 3.44Å; L1205-M1275 HydrophobicContact CD1-SD 3.37Å; L1205-M1275 WeakPolarHBondContact CD1-SD 3.36Å; L1205-R1278 HydrophobicContact CD1-CB 4.07Å
1206	C	72.4	Confident	60.8	Low	70 Å²	70	87.8 Å²	87.8	47%	0.473	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.5	-0.2	171	71.5	0	0	0	0	114.9	C1203 G1208 H1220	C1203-C1206 PolarHBondContact O-N 3.21Å; C1206-G1208 PolarHBondContact O-N 3.01Å; C1206-G1208 PolarHBondContact SG-N 2.82Å; C1206-H1220 VanDerWaalsContact SG-CE1 3.56Å
1207	N	64.6	Low	62.8	Low	82 Å²	82	82.3 Å²	82.3	44%	0.439	44%	0.438	S	S	.	.			trans	54.1	13.2	-170.7	-64	-26.2	0	0	0	115.1	C1203	C1203-N1207 WeakPolarHBondContact O-CA 3.15Å; C1203-N1207 PolarHBondContact O-N 3.37Å
1208	G	64.1	Low	65	Low	28 Å²	28	75.6 Å²	75.6	29%	0.289	41%	0.408	S	S	.	.			trans	-73.7	133	175.6	0	0	0	0	0	112	C1203 C1206 I1210	C1203-G1208 PolarHBondContact N-O 2.8Å; C1203-G1208 VanDerWaalsContact N-O 3.07Å; C1206-G1208 PolarHBondContact O-N 3.01Å; C1206-G1208 PolarHBondContact SG-N 2.82Å; G1208-I1210 WeakPolarHBondContact O-CD1 3.38Å
1209	S	66.5	Low	67.2	Low	72 Å²	72	71.7 Å²	71.7	50%	0.503	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	127.6	173.2	73.7	0	0	0	0	111.1	L1201	L1201-S1209 CarbonylContact O-C 3.6Å
1210	I	70	Confident	69.4	Low	22 Å²	22	63.1 Å²	63.1	11%	0.113	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146	-176.2	-56.1	118.8	0	0	0	108.6	K1200 L1201 C1203 G1208 H1220 F1280	K1200-I1210 CarbonylContact C-O 3.21Å; K1200-I1210 WeakPolarHBondContact CA-O 3.29Å; L1201-I1210 PolarHBondContact N-O 3.21Å; L1201-I1210 PolarHBondContact O-N 3.07Å; C1203-I1210 HydrophobicContact CB-CD1 3.81Å; G1208-I1210 WeakPolarHBondContact O-CD1 3.38Å; I1210-H1220 HydrophobicContact CD1-CB 4.16Å; I1210-H1220 VanDerWaalsContact CD1-CG 3.41Å; I1210-H1220 WeakPolarHBondContact CD1-ND1 3.14Å; I1210-H1220 HydrophobicContact CG1-CB 4.07Å; I1210-H1220 HydrophobicContact CG2-CB 4.36Å; I1210-F1280 HydrophobicContact CD1-CE1 4.36Å; I1210-F1280 HydrophobicContact CD1-CZ 3.92Å
1211	A	65.2	Low	71	Confident	53 Å²	53	56.4 Å²	56.4	44%	0.438	33%	0.326	S	S	.	.			trans	-63.8	146.1	172.8	0	0	0	0	0	111.2	N1213 S1216	A1211-N1213 PolarHBondContact O-N 2.9Å; A1211-S1216 PolarHBondContact O-OG 3.32Å
1212	D	56.5	Low	71.7	Confident	67 Å²	67	56.4 Å²	56.4	36%	0.358	32%	0.324	S	S	.	.	S	Bend	trans	-63	17	179.4	33.6	0.4	0	0	0	115	L1198 R1199	L1198-D1212 WeakPolarHBondContact CD2-OD1 3.27Å; R1199-D1212 PolarHBondContact N-OD2 3.2Å
1213	N	70.1	Confident	72.2	Confident	81 Å²	81	56.5 Å²	56.5	43%	0.433	32%	0.322	S	S	.	.			trans	-92.7	131.9	176	-172.7	-57.8	0	0	0	111.6	A1211 K1215 S1216 I1217	A1211-N1213 PolarHBondContact O-N 2.9Å; N1213-K1215 PolarHBondContact O-N 3.44Å; N1213-K1215 WeakPolarHBondContact OD1-CB 3.5Å; N1213-K1215 PolarHBondContact OD1-N 3.46Å; N1213-S1216 WeakPolarHBondContact CB-OG 3.47Å; N1213-S1216 PolarHBondContact O-N 2.81Å; N1213-S1216 PolarHBondContact O-OG 2.83Å; N1213-I1217 WeakPolarHBondContact O-CG1 3.08Å; N1213-I1217 PolarHBondContact O-N 2.68Å; N1213-I1217 VanDerWaalsContact O-N 3.11Å
1214	P	60.6	Low	72.2	Confident	95 Å²	95	59.1 Å²	59.1	62%	0.617	33%	0.334	S	S	*	.	H	α-helix	trans	-52.2	-29.5	177.4	-30.5	36.3	0	0	0	115.3	G1218	P1214-G1218 PolarHBondContact O-N 3.32Å
1215	K	70.9	Confident	72.6	Confident	167 Å²	167	57.7 Å²	57.7	73%	0.726	33%	0.33	S	S	*	.	H	α-helix	trans	-73	-40.8	177.5	-64.9	174.2	-179	168.9	0	112.4	N1213 G1218 I1219	N1213-K1215 PolarHBondContact O-N 3.44Å; N1213-K1215 WeakPolarHBondContact OD1-CB 3.5Å; N1213-K1215 PolarHBondContact OD1-N 3.46Å; K1215-G1218 PolarHBondContact O-N 3.2Å; K1215-I1219 WeakPolarHBondContact O-CG1 3.34Å; K1215-I1219 PolarHBondContact O-N 2.74Å
1216	S	76.5	Confident	72.8	Confident	35 Å²	35	59.2 Å²	59.2	25%	0.245	34%	0.338	C	S	.	.	H	α-helix	trans	-70	-40.6	176.6	39.3	0	0	0	0	111.3	A1211 N1213 G1218 I1219 H1220	A1211-S1216 PolarHBondContact O-OG 3.32Å; N1213-S1216 WeakPolarHBondContact CB-OG 3.47Å; N1213-S1216 PolarHBondContact O-N 2.81Å; N1213-S1216 PolarHBondContact O-OG 2.83Å; S1216-G1218 PolarHBondContact O-N 2.78Å; S1216-I1219 PolarHBondContact O-N 3.45Å; S1216-H1220 WeakPolarHBondContact O-CB 3.31Å; S1216-H1220 PolarHBondContact O-N 3.18Å
1217	I	77.4	Confident	73.3	Confident	24 Å²	24	56.7 Å²	56.7	12%	0.123	32%	0.319	C	S	.	.	H	α-helix	trans	-55.2	-50.5	169.5	-61.3	168.8	0	0	0	110.2	L1201 N1213 I1219 H1220 V1221 K1276 F1280	L1201-I1217 HydrophobicContact CD1-CD1 3.46Å; L1201-I1217 VanDerWaalsContact CD1-CD1 3.46Å; L1201-I1217 HydrophobicContact CD1-CG1 3.92Å; N1213-I1217 WeakPolarHBondContact O-CG1 3.08Å; N1213-I1217 PolarHBondContact O-N 2.68Å; N1213-I1217 VanDerWaalsContact O-N 3.11Å; I1217-I1219 PolarHBondContact O-N 3.24Å; I1217-H1220 PolarHBondContact O-N 3.27Å; I1217-V1221 HydrophobicContact CG2-CG2 4.46Å; I1217-V1221 WeakPolarHBondContact O-CB 3.25Å; I1217-V1221 WeakPolarHBondContact O-CG2 3.31Å; I1217-V1221 PolarHBondContact O-N 3.29Å; I1217-K1276 HydrophobicContact CG2-CG 4.14Å; I1217-F1280 HydrophobicContact CG2-CD2 4.34Å; I1217-F1280 HydrophobicContact CG2-CE2 3.83Å
1218	G	80.5	Confident	74.2	Confident	16 Å²	16	57 Å²	57	17%	0.165	32%	0.316	C	S	.	.	H	α-helix	trans	-65	-36.3	-178.9	0	0	0	0	0	114.9	P1214 K1215 S1216 K1222	P1214-G1218 PolarHBondContact O-N 3.32Å; K1215-G1218 PolarHBondContact O-N 3.2Å; S1216-G1218 PolarHBondContact O-N 2.78Å; G1218-K1222 VanDerWaalsContact O-CG 3.24Å; G1218-K1222 WeakPolarHBondContact O-CG 3.39Å; G1218-K1222 PolarHBondContact O-N 3.23Å; G1218-K1222 VanDerWaalsContact O-N 3.15Å
1219	I	78.2	Confident	75.1	Confident	59 Å²	59	55.9 Å²	55.9	30%	0.303	30%	0.304	S	S	.	.	H	α-helix	trans	-69.1	-43.7	173.7	-71	165.4	0	0	0	110.5	K1215 S1216 I1217 K1222 N1223 E1241	K1215-I1219 WeakPolarHBondContact O-CG1 3.34Å; K1215-I1219 PolarHBondContact O-N 2.74Å; S1216-I1219 PolarHBondContact O-N 3.45Å; I1217-I1219 PolarHBondContact O-N 3.24Å; I1219-K1222 PolarHBondContact O-N 2.98Å; I1219-N1223 PolarHBondContact O-N 3.49Å; I1219-N1223 VanDerWaalsContact O-N 3.11Å; I1219-N1223 PolarHBondContact O-ND2 2.91Å; I1219-E1241 HydrophobicContact CD1-CG 4.01Å; I1219-E1241 HydrophobicContact CG1-CG 4.07Å; I1219-E1241 HydrophobicContact CG2-CG 4.37Å; I1219-E1241 WeakPolarHBondContact CG2-OE1 3.44Å
1220	H	82.8	Confident	76.2	Confident	22 Å²	22	54.6 Å²	54.6	10%	0.102	29%	0.289	C	S	.	.	H	α-helix	trans	-60.2	-47.5	177	159.4	74.1	0	0	0	112.1	C1203 C1206 I1210 S1216 I1217 K1222 N1223 H1224 F1280	C1203-H1220 WeakPolarHBondContact CB-CE1 3.47Å; C1203-H1220 WeakPolarHBondContact CB-NE2 3.35Å; C1203-H1220 PolarHBondContact SG-CE1 3.41Å; C1203-H1220 PolarHBondContact SG-NE2 3.24Å; C1206-H1220 VanDerWaalsContact SG-CE1 3.56Å; I1210-H1220 HydrophobicContact CD1-CB 4.16Å; I1210-H1220 VanDerWaalsContact CD1-CG 3.41Å; I1210-H1220 WeakPolarHBondContact CD1-ND1 3.14Å; I1210-H1220 HydrophobicContact CG1-CB 4.07Å; I1210-H1220 HydrophobicContact CG2-CB 4.36Å; S1216-H1220 WeakPolarHBondContact O-CB 3.31Å; S1216-H1220 PolarHBondContact O-N 3.18Å; I1217-H1220 PolarHBondContact O-N 3.27Å; H1220-K1222 VanDerWaalsContact C-N 3.33Å; H1220-K1222 PolarHBondContact O-N 3.48Å; H1220-N1223 WeakPolarHBondContact O-CA 3.41Å; H1220-N1223 WeakPolarHBondContact O-CB 3.27Å; H1220-N1223 PolarHBondContact O-N 3.23Å; H1220-H1224 AromaticContact CE1-CD2 3.25Å; H1220-H1224 PolarHBondContact CE1-CD2 3.39Å; H1220-H1224 AromaticContact CE1-NE2 3.19Å; H1220-H1224 PolarHBondContact CE1-NE2 3.44Å; H1220-H1224 AromaticContact NE2-CD2 3.39Å; H1220-H1224 PolarHBondContact NE2-CD2 2.81Å; H1220-H1224 AromaticContact NE2-NE2 3.64Å; H1220-H1224 PolarHBondContact O-N 3.33Å; H1220-F1280 AromaticContact CD2-CZ 3.9Å
1221	V	82	Confident	76.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-38.4	176.6	166.4	0	0	0	0	111.8	I1217 N1223 H1224 L1225 I1272 M1275 K1276 C1279	I1217-V1221 HydrophobicContact CG2-CG2 4.46Å; I1217-V1221 WeakPolarHBondContact O-CB 3.25Å; I1217-V1221 WeakPolarHBondContact O-CG2 3.31Å; I1217-V1221 PolarHBondContact O-N 3.29Å; V1221-N1223 VanDerWaalsContact C-N 3.25Å; V1221-N1223 PolarHBondContact O-N 3.2Å; V1221-H1224 WeakPolarHBondContact O-CB 3.21Å; V1221-H1224 PolarHBondContact O-N 2.73Å; V1221-H1224 VanDerWaalsContact O-N 3.15Å; V1221-L1225 HydrophobicContact CG1-CD1 4.13Å; V1221-L1225 PolarHBondContact O-N 3.15Å; V1221-L1225 VanDerWaalsContact O-N 3.07Å; V1221-I1272 HydrophobicContact CG1-CB 4.31Å; V1221-I1272 HydrophobicContact CG1-CG1 4.26Å; V1221-I1272 HydrophobicContact CG1-CG2 4.04Å; V1221-M1275 HydrophobicContact CG1-CB 3.68Å; V1221-M1275 HydrophobicContact CG1-CG 3.77Å; V1221-K1276 HydrophobicContact CG2-CG 4.05Å; V1221-C1279 HydrophobicContact CG2-CB 4.49Å
1222	K	82.4	Confident	77.8	Confident	49 Å²	49	55.4 Å²	55.4	21%	0.213	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-31.7	172.5	-74.7	171.2	-177.3	177.4	0	112.8	G1218 I1219 H1220 L1225 N1226 Y1227 C1240 I1272	G1218-K1222 VanDerWaalsContact O-CG 3.24Å; G1218-K1222 WeakPolarHBondContact O-CG 3.39Å; G1218-K1222 PolarHBondContact O-N 3.23Å; G1218-K1222 VanDerWaalsContact O-N 3.15Å; I1219-K1222 PolarHBondContact O-N 2.98Å; H1220-K1222 VanDerWaalsContact C-N 3.33Å; H1220-K1222 PolarHBondContact O-N 3.48Å; K1222-L1225 PolarHBondContact O-N 2.88Å; K1222-N1226 CarbonylContact O-C 3.56Å; K1222-N1226 PolarHBondContact O-N 3.19Å; K1222-N1226 VanDerWaalsContact O-N 3.15Å; K1222-Y1227 HydrophobicContact CD-CD1 4.42Å; K1222-Y1227 HydrophobicContact CG-CD1 4.14Å; K1222-Y1227 PolarHBondContact O-N 2.74Å; K1222-C1240 HydrophobicContact CB-CB 4.25Å; K1222-I1272 HydrophobicContact CD-CD1 4.45Å; K1222-I1272 HydrophobicContact CG-CD1 3.93Å
1223	N	77.2	Confident	79.1	Confident	80 Å²	80	54.6 Å²	54.6	43%	0.428	28%	0.278	S	S	.	.	H	α-helix	trans	-69.8	-37.5	174	-62.8	-30.7	0	0	0	111.8	I1219 H1220 V1221 N1226 C1240	I1219-N1223 PolarHBondContact O-N 3.49Å; I1219-N1223 VanDerWaalsContact O-N 3.11Å; I1219-N1223 PolarHBondContact O-ND2 2.91Å; H1220-N1223 WeakPolarHBondContact O-CA 3.41Å; H1220-N1223 WeakPolarHBondContact O-CB 3.27Å; H1220-N1223 PolarHBondContact O-N 3.23Å; V1221-N1223 VanDerWaalsContact C-N 3.25Å; V1221-N1223 PolarHBondContact O-N 3.2Å; N1223-N1226 PolarHBondContact O-N 3.38Å; N1223-C1240 PolarHBondContact OD1-SG 2.8Å
1224	H	75.3	Confident	79.8	Confident	54 Å²	54	55.9 Å²	55.9	25%	0.25	28%	0.277	C	S	.	.	H	α-helix	trans	-60.5	-44.2	171.8	-89.2	-68.7	0	0	0	112.8	C1203 L1205 H1220 V1221 N1226 M1275	C1203-H1224 PolarHBondContact SG-NE2 2.05Å; L1205-H1224 VanDerWaalsContact C-CE1 3.43Å; L1205-H1224 WeakPolarHBondContact CB-CE1 3.18Å; L1205-H1224 PolarHBondContact O-CE1 3.44Å; H1220-H1224 AromaticContact CE1-CD2 3.25Å; H1220-H1224 PolarHBondContact CE1-CD2 3.39Å; H1220-H1224 AromaticContact CE1-NE2 3.19Å; H1220-H1224 PolarHBondContact CE1-NE2 3.44Å; H1220-H1224 AromaticContact NE2-CD2 3.39Å; H1220-H1224 PolarHBondContact NE2-CD2 2.81Å; H1220-H1224 AromaticContact NE2-NE2 3.64Å; H1220-H1224 PolarHBondContact O-N 3.33Å; V1221-H1224 WeakPolarHBondContact O-CB 3.21Å; V1221-H1224 PolarHBondContact O-N 2.73Å; V1221-H1224 VanDerWaalsContact O-N 3.15Å; H1224-N1226 PolarHBondContact O-N 3.45Å; H1224-M1275 HydrophobicContact CB-CG 4.08Å; H1224-M1275 HydrophobicContact CB-SD 4.23Å
1225	L	79.1	Confident	80.9	Confident	49 Å²	49	53.4 Å²	53.4	26%	0.257	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-4.1	174.7	-65.5	166	0	0	0	113.3	V1221 K1222 Y1227 I1268 K1271 I1272 M1275	V1221-L1225 HydrophobicContact CG1-CD1 4.13Å; V1221-L1225 PolarHBondContact O-N 3.15Å; V1221-L1225 VanDerWaalsContact O-N 3.07Å; K1222-L1225 PolarHBondContact O-N 2.88Å; L1225-Y1227 PolarHBondContact O-N 3.25Å; L1225-I1268 HydrophobicContact CD1-CD1 4.22Å; L1225-K1271 HydrophobicContact CD1-CB 4.35Å; L1225-K1271 HydrophobicContact CD2-CB 4.3Å; L1225-I1272 HydrophobicContact CD1-CG1 3.58Å; L1225-M1275 HydrophobicContact CD1-CB 4.31Å; L1225-M1275 HydrophobicContact CD2-CB 4.22Å; L1225-M1275 HydrophobicContact CD2-CE 3.57Å; L1225-M1275 HydrophobicContact CD2-CG 4.34Å; L1225-M1275 HydrophobicContact CG-CB 4.26Å; L1225-M1275 HydrophobicContact CG-CE 4.19Å; L1225-M1275 HydrophobicContact CG-CG 4.18Å
1226	N	77.2	Confident	81.5	Confident	118 Å²	118	56.3 Å²	56.3	63%	0.631	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	23.1	-165.6	-98.3	-73.9	0	0	0	114.2	K1222 N1223 H1224 K1228	K1222-N1226 CarbonylContact O-C 3.56Å; K1222-N1226 PolarHBondContact O-N 3.19Å; K1222-N1226 VanDerWaalsContact O-N 3.15Å; N1223-N1226 PolarHBondContact O-N 3.38Å; H1224-N1226 PolarHBondContact O-N 3.45Å; N1226-K1228 PolarHBondContact O-N 3.32Å
1227	Y	82	Confident	82.1	Confident	17 Å²	17	58.5 Å²	58.5	7%	0.067	27%	0.271	C	S	.	.			trans	-79.1	108.5	-167.5	-176.2	-106.4	0	0	0	111.5	K1222 L1225 P1229 C1240 A1264 E1265 I1268	K1222-Y1227 HydrophobicContact CD-CD1 4.42Å; K1222-Y1227 HydrophobicContact CG-CD1 4.14Å; K1222-Y1227 PolarHBondContact O-N 2.74Å; L1225-Y1227 PolarHBondContact O-N 3.25Å; Y1227-P1229 HydrophobicContact CD1-CG 4.01Å; Y1227-P1229 HydrophobicContact CE1-CB 3.77Å; Y1227-P1229 HydrophobicContact CE1-CG 3.53Å; Y1227-P1229 WeakPolarHBondContact O-CD 3.33Å; Y1227-C1240 WeakPolarHBondContact O-CA 3.17Å; Y1227-C1240 WeakPolarHBondContact O-CB 3.41Å; Y1227-A1264 VanDerWaalsContact OH-CA 3.28Å; Y1227-A1264 WeakPolarHBondContact OH-CA 3.16Å; Y1227-E1265 HydrophobicContact CE2-CB 3.77Å; Y1227-E1265 HydrophobicContact CE2-CG 3.91Å; Y1227-E1265 PolarHBondContact OH-N 2.93Å; Y1227-I1268 HydrophobicContact CD1-CD1 3.89Å; Y1227-I1268 HydrophobicContact CD1-CG1 3.92Å; Y1227-I1268 HydrophobicContact CD2-CD1 3.48Å; Y1227-I1268 VanDerWaalsContact CD2-CD1 3.48Å; Y1227-I1268 HydrophobicContact CD2-CG1 4.14Å; Y1227-I1268 HydrophobicContact CE1-CD1 3.96Å; Y1227-I1268 HydrophobicContact CE1-CG1 3.55Å; Y1227-I1268 HydrophobicContact CE2-CB 4.41Å; Y1227-I1268 HydrophobicContact CE2-CD1 3.58Å; Y1227-I1268 HydrophobicContact CE2-CG1 3.8Å; Y1227-I1268 HydrophobicContact CG-CD1 3.62Å; Y1227-I1268 HydrophobicContact CG-CG1 4.17Å; Y1227-I1268 VanDerWaalsContact CZ-CG1 3.45Å
1228	K	84.1	Confident	82.4	Confident	88 Å²	88	61.4 Å²	61.4	38%	0.383	29%	0.286	S	S	.	.			trans	-121.9	70.6	-172	-69.4	172.1	-175.5	171.1	0	111.1	N1226 Y1230 M1238 S1239 C1240	N1226-K1228 PolarHBondContact O-N 3.32Å; K1228-Y1230 PolarHBondContact O-N 3.24Å; K1228-M1238 HydrophobicContact CB-CB 4.03Å; K1228-M1238 VanDerWaalsContact O-CE 3.24Å; K1228-M1238 WeakPolarHBondContact O-CE 3.44Å; K1228-S1239 CarbonylContact C-O 3.58Å; K1228-S1239 WeakPolarHBondContact CA-O 3.48Å; K1228-C1240 HydrophobicContact CG-CB 4.47Å
1229	P	81.7	Confident	82.8	Confident	6 Å²	6	60.9 Å²	60.9	4%	0.039	28%	0.279	C	S	.	.			trans	-70.4	-20.1	-171	30.6	-36.3	0	0	0	113.1	Y1227 R1231 S1239 I1262 H1263	Y1227-P1229 HydrophobicContact CD1-CG 4.01Å; Y1227-P1229 HydrophobicContact CE1-CB 3.77Å; Y1227-P1229 HydrophobicContact CE1-CG 3.53Å; Y1227-P1229 WeakPolarHBondContact O-CD 3.33Å; P1229-R1231 PolarHBondContact O-N 3.34Å; P1229-S1239 WeakPolarHBondContact CD-O 3.39Å; P1229-I1262 CarbonylContact O-C 3.48Å; P1229-I1262 WeakPolarHBondContact O-CA 3.4Å; P1229-H1263 VanDerWaalsContact CA-O 3.3Å; P1229-H1263 WeakPolarHBondContact CA-O 3.48Å; P1229-H1263 WeakPolarHBondContact CB-O 3.46Å; P1229-H1263 PolarHBondContact O-N 3.4Å
1230	Y	90.3	Very high	82.9	Confident	44 Å²	44	58.7 Å²	58.7	17%	0.173	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	101.5	-174.7	-56.6	-74.7	0	0	0	111	K1228 M1238 S1239 C1240 Q1242 I1260 I1262	K1228-Y1230 PolarHBondContact O-N 3.24Å; Y1230-M1238 CarbonylContact O-C 3.22Å; Y1230-M1238 WeakPolarHBondContact O-CA 3.45Å; Y1230-S1239 WeakPolarHBondContact CD2-O 3.32Å; Y1230-S1239 PolarHBondContact N-O 2.71Å; Y1230-S1239 PolarHBondContact O-N 2.82Å; Y1230-C1240 WeakPolarHBondContact CE2-O 3.26Å; Y1230-Q1242 HydrophobicContact CD1-CB 3.72Å; Y1230-Q1242 HydrophobicContact CD1-CG 3.69Å; Y1230-Q1242 HydrophobicContact CD2-CB 4.28Å; Y1230-Q1242 HydrophobicContact CE1-CB 3.49Å; Y1230-Q1242 VanDerWaalsContact CE1-CB 3.49Å; Y1230-Q1242 HydrophobicContact CE1-CG 3.63Å; Y1230-Q1242 HydrophobicContact CE2-CB 4.07Å; Y1230-Q1242 VanDerWaalsContact CE2-N 3.27Å; Y1230-Q1242 HydrophobicContact CG-CB 4.11Å; Y1230-Q1242 HydrophobicContact CG-CG 4.43Å; Y1230-I1260 HydrophobicContact CD1-CG2 4.2Å; Y1230-I1262 HydrophobicContact CD1-CD1 4.32Å; Y1230-I1262 HydrophobicContact CD1-CG1 3.96Å; Y1230-I1262 HydrophobicContact CD1-CG2 4.44Å; Y1230-I1262 HydrophobicContact CE1-CD1 3.97Å; Y1230-I1262 HydrophobicContact CE1-CG1 4.07Å; Y1230-I1262 HydrophobicContact CE1-CG2 4.2Å
1231	R	85.5	Confident	83	Confident	92 Å²	92	59.3 Å²	59.3	35%	0.347	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.5	-177	174.3	178.3	178	-173.1	-0.7	111.5	P1229 Y1237 M1238 I1260 E1261 H1263	P1229-R1231 PolarHBondContact O-N 3.34Å; R1231-Y1237 WeakPolarHBondContact CA-O 3.39Å; R1231-M1238 HydrophobicContact CB-CG 3.97Å; R1231-M1238 HydrophobicContact CG-CG 3.98Å; R1231-I1260 WeakPolarHBondContact O-CG2 3.39Å; R1231-E1261 HydrophobicContact CB-CB 4.15Å; R1231-E1261 WeakPolarHBondContact CD-OE2 3.49Å; R1231-E1261 IonicContact CZ-OE2 3.65Å; R1231-E1261 PolarHBondContact N-O 3.24Å; R1231-E1261 IonicContact NE-OE2 2.67Å; R1231-E1261 PolarHBondContact O-N 2.95Å; R1231-H1263 PolarHBondContact NH1-NE2 3.34Å
1232	C	84.6	Confident	83	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.007	29%	0.29	C	S	.	.			trans	-74.8	127.1	166.5	-174.1	0	0	0	0	110.1	Y1234 Y1237 H1248 V1249 H1253	C1232-Y1234 PolarHBondContact O-N 2.81Å; C1232-Y1234 PolarHBondContact SG-N 2.83Å; C1232-Y1237 PolarHBondContact N-O 3.03Å; C1232-H1248 PolarHBondContact SG-NE2 2.81Å; C1232-V1249 HydrophobicContact CB-CG2 4.29Å; C1232-H1253 PolarHBondContact SG-CD2 2.84Å; C1232-H1253 PolarHBondContact SG-NE2 3.46Å
1233	P	82.2	Confident	83.1	Confident	50 Å²	50	63.8 Å²	63.8	33%	0.325	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-22	171.9	25.5	-31.6	0	0	0	112.7	A1259 E1261	P1233-A1259 WeakPolarHBondContact CD-O 3.31Å; P1233-A1259 HydrophobicContact CG-CB 4.44Å; P1233-A1259 VanDerWaalsContact CG-O 3.27Å; P1233-A1259 WeakPolarHBondContact CG-O 3.41Å; P1233-E1261 HydrophobicContact CB-CG 4Å
1234	Y	84.7	Confident	83.5	Confident	108 Å²	108	64 Å²	64	42%	0.424	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-9.6	-173.1	-51.5	-66.4	0	0	0	114.7	C1232 V1249 H1253 I1255 A1259	C1232-Y1234 PolarHBondContact O-N 2.81Å; C1232-Y1234 PolarHBondContact SG-N 2.83Å; Y1234-V1249 HydrophobicContact CD2-CG1 4.22Å; Y1234-V1249 HydrophobicContact CE2-CG1 4.1Å; Y1234-H1253 VanDerWaalsContact CB-CG 3.49Å; Y1234-H1253 VanDerWaalsContact CB-ND1 3.32Å; Y1234-H1253 WeakPolarHBondContact CB-ND1 3.32Å; Y1234-H1253 HydrophobicContact CD2-CB 3.94Å; Y1234-H1253 HydrophobicContact CG-CB 4.29Å; Y1234-H1253 PolarHBondContact O-CE1 3.24Å; Y1234-I1255 HydrophobicContact CD1-CD1 4.28Å; Y1234-I1255 HydrophobicContact CD2-CD1 4.2Å; Y1234-I1255 HydrophobicContact CE1-CD1 3.84Å; Y1234-I1255 HydrophobicContact CE2-CB 4.08Å; Y1234-I1255 HydrophobicContact CE2-CD1 3.75Å; Y1234-I1255 HydrophobicContact CE2-CG2 3.91Å; Y1234-I1255 HydrophobicContact CG-CD1 4.46Å; Y1234-A1259 HydrophobicContact CE2-CB 4.23Å
1235	C	83.7	Confident	83.9	Confident	43 Å²	43	61.4 Å²	61.4	29%	0.291	29%	0.285	S	S	.	.	S	Bend	trans	-159.7	-176.6	170.4	81.1	0	0	0	0	112.6	Y1237 H1248 H1253	C1235-Y1237 PolarHBondContact O-N 3.01Å; C1235-Y1237 VanDerWaalsContact O-N 3.14Å; C1235-Y1237 PolarHBondContact SG-N 2.96Å; C1235-H1248 PolarHBondContact SG-CE1 3.42Å; C1235-H1248 PolarHBondContact SG-NE2 2.85Å; C1235-H1253 PolarHBondContact SG-NE2 3.38Å; C1235-H1253 VanDerWaalsContact SG-NE2 3.37Å
1236	R	84.3	Confident	84.3	Confident	227 Å²	227	61.4 Å²	61.4	86%	0.857	28%	0.282	S	S	*	.	S	Bend	trans	-76.2	11.2	-177.6	-64.8	-180	175	170.3	-2.5	115.3
1237	Y	88.4	Confident	84.7	Confident	81 Å²	81	62.8 Å²	62.8	32%	0.318	28%	0.279	S	S	.	.			trans	-72.1	133.3	179.5	-175.4	-88.9	0	0	0	112.2	R1231 C1232 C1235 H1248	R1231-Y1237 WeakPolarHBondContact CA-O 3.39Å; C1232-Y1237 PolarHBondContact N-O 3.03Å; C1235-Y1237 PolarHBondContact O-N 3.01Å; C1235-Y1237 VanDerWaalsContact O-N 3.14Å; C1235-Y1237 PolarHBondContact SG-N 2.96Å; Y1237-H1248 HydrophobicContact CD1-CB 3.64Å; Y1237-H1248 AromaticContact CD1-CD2 3.88Å; Y1237-H1248 AromaticContact CD1-CG 3.43Å; Y1237-H1248 VanDerWaalsContact CD1-CG 3.43Å; Y1237-H1248 AromaticContact CD1-ND1 3.86Å; Y1237-H1248 HydrophobicContact CD2-CB 4.47Å; Y1237-H1248 AromaticContact CD2-CG 3.92Å; Y1237-H1248 AromaticContact CD2-ND1 3.43Å; Y1237-H1248 WeakPolarHBondContact CD2-ND1 3.45Å; Y1237-H1248 HydrophobicContact CE1-CB 3.6Å; Y1237-H1248 AromaticContact CE1-CG 3.91Å; Y1237-H1248 HydrophobicContact CE2-CB 4.44Å; Y1237-H1248 AromaticContact CE2-ND1 3.99Å; Y1237-H1248 HydrophobicContact CG-CB 4.09Å; Y1237-H1248 AromaticContact CG-CD2 3.87Å; Y1237-H1248 AromaticContact CG-CG 3.43Å; Y1237-H1248 VanDerWaalsContact CG-CG 3.43Å; Y1237-H1248 AromaticContact CG-ND1 3.35Å
1238	M	84.2	Confident	85	Confident	86 Å²	86	63.6 Å²	63.6	42%	0.424	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	142.7	177.6	-63.8	-179	65.1	0	0	111.3	K1228 Y1230 R1231	K1228-M1238 HydrophobicContact CB-CB 4.03Å; K1228-M1238 VanDerWaalsContact O-CE 3.24Å; K1228-M1238 WeakPolarHBondContact O-CE 3.44Å; Y1230-M1238 CarbonylContact O-C 3.22Å; Y1230-M1238 WeakPolarHBondContact O-CA 3.45Å; R1231-M1238 HydrophobicContact CB-CG 3.97Å; R1231-M1238 HydrophobicContact CG-CG 3.98Å
1239	S	88.2	Confident	85	Confident	5 Å²	5	59.4 Å²	59.4	4%	0.035	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.7	-171.4	170.9	0	0	0	0	113.5	K1228 P1229 Y1230 E1241 K1244	K1228-S1239 CarbonylContact C-O 3.58Å; K1228-S1239 WeakPolarHBondContact CA-O 3.48Å; P1229-S1239 WeakPolarHBondContact CD-O 3.39Å; Y1230-S1239 WeakPolarHBondContact CD2-O 3.32Å; Y1230-S1239 PolarHBondContact N-O 2.71Å; Y1230-S1239 PolarHBondContact O-N 2.82Å; S1239-E1241 VanDerWaalsContact C-N 3.31Å; S1239-E1241 WeakPolarHBondContact CB-O 3.35Å; S1239-E1241 PolarHBondContact OG-N 3.15Å; S1239-E1241 PolarHBondContact OG-O 3.33Å; S1239-K1244 VanDerWaalsContact OG-CB 3.32Å; S1239-K1244 WeakPolarHBondContact OG-CB 3.34Å
1240	C	81	Confident	85.1	Confident	12 Å²	12	62.2 Å²	62.2	8%	0.081	28%	0.277	C	S	.	.	S	Bend	trans	-74.1	-18.2	170.9	51.5	0	0	0	0	113.6	K1222 N1223 Y1227 K1228 Y1230	K1222-C1240 HydrophobicContact CB-CB 4.25Å; N1223-C1240 PolarHBondContact OD1-SG 2.8Å; Y1227-C1240 WeakPolarHBondContact O-CA 3.17Å; Y1227-C1240 WeakPolarHBondContact O-CB 3.41Å; K1228-C1240 HydrophobicContact CG-CB 4.47Å; Y1230-C1240 WeakPolarHBondContact CE2-O 3.26Å
1241	E	85.6	Confident	84.6	Confident	36 Å²	36	66.6 Å²	66.6	17%	0.168	30%	0.299	C	S	.	.	S	Bend	trans	-122.1	140.5	-179.9	-70.2	158.9	-134	0	0	112.2	I1219 S1239 S1243 K1244 A1245	I1219-E1241 HydrophobicContact CD1-CG 4.01Å; I1219-E1241 HydrophobicContact CG1-CG 4.07Å; I1219-E1241 HydrophobicContact CG2-CG 4.37Å; I1219-E1241 WeakPolarHBondContact CG2-OE1 3.44Å; S1239-E1241 VanDerWaalsContact C-N 3.31Å; S1239-E1241 WeakPolarHBondContact CB-O 3.35Å; S1239-E1241 PolarHBondContact OG-N 3.15Å; S1239-E1241 PolarHBondContact OG-O 3.33Å; E1241-S1243 VanDerWaalsContact C-N 3.34Å; E1241-S1243 PolarHBondContact O-N 3.39Å; E1241-K1244 HydrophobicContact CB-CB 4.42Å; E1241-K1244 HydrophobicContact CB-CD 4.21Å; E1241-K1244 HydrophobicContact CB-CG 4.36Å; E1241-K1244 VanDerWaalsContact CD-NZ 3.26Å; E1241-K1244 PolarHBondContact O-N 3.39Å; E1241-K1244 WeakPolarHBondContact OE1-CE 3.41Å; E1241-K1244 IonicContact OE1-NZ 2.89Å; E1241-K1244 PolarHBondContact OE1-NZ 3.39Å; E1241-K1244 WeakPolarHBondContact OE2-CD 3.4Å; E1241-K1244 WeakPolarHBondContact OE2-CE 3.24Å; E1241-K1244 IonicContact OE2-NZ 2.62Å; E1241-K1244 PolarHBondContact OE2-NZ 2.69Å; E1241-A1245 PolarHBondContact O-N 3.2Å
1242	Q	82.3	Confident	84.5	Confident	81 Å²	81	66.1 Å²	66.1	38%	0.379	31%	0.306	S	S	.	.	H	α-helix	trans	-67.3	-36.7	179.1	-162.4	178.5	18	0	0	111.8	Y1230 K1244 A1245 R1246 I1260	Y1230-Q1242 HydrophobicContact CD1-CB 3.72Å; Y1230-Q1242 HydrophobicContact CD1-CG 3.69Å; Y1230-Q1242 HydrophobicContact CD2-CB 4.28Å; Y1230-Q1242 HydrophobicContact CE1-CB 3.49Å; Y1230-Q1242 VanDerWaalsContact CE1-CB 3.49Å; Y1230-Q1242 HydrophobicContact CE1-CG 3.63Å; Y1230-Q1242 HydrophobicContact CE2-CB 4.07Å; Y1230-Q1242 VanDerWaalsContact CE2-N 3.27Å; Y1230-Q1242 HydrophobicContact CG-CB 4.11Å; Y1230-Q1242 HydrophobicContact CG-CG 4.43Å; Q1242-K1244 VanDerWaalsContact C-N 3.33Å; Q1242-K1244 PolarHBondContact O-N 3.28Å; Q1242-A1245 PolarHBondContact O-N 3.44Å; Q1242-R1246 VanDerWaalsContact O-CB 3.24Å; Q1242-R1246 WeakPolarHBondContact O-CB 3.39Å; Q1242-R1246 PolarHBondContact O-N 3.33Å; Q1242-I1260 HydrophobicContact CG-CD1 3.82Å
1243	S	83.1	Confident	84.3	Confident	61 Å²	61	68.2 Å²	68.2	43%	0.427	32%	0.316	S	S	.	.	H	α-helix	trans	-58.2	-41.1	178.8	52.6	0	0	0	0	112.8	E1241 R1247	E1241-S1243 VanDerWaalsContact C-N 3.34Å; E1241-S1243 PolarHBondContact O-N 3.39Å; S1243-R1247 VanDerWaalsContact O-CB 3.25Å; S1243-R1247 WeakPolarHBondContact O-CB 3.31Å; S1243-R1247 PolarHBondContact O-N 3.43Å
1244	K	86.9	Confident	84.1	Confident	84 Å²	84	71.7 Å²	71.7	37%	0.365	33%	0.331	S	S	.	.	H	α-helix	trans	-70.8	-40.6	177.5	-72.5	172.4	-179.3	163.1	0	111.9	S1239 E1241 Q1242 H1248	S1239-K1244 VanDerWaalsContact OG-CB 3.32Å; S1239-K1244 WeakPolarHBondContact OG-CB 3.34Å; E1241-K1244 HydrophobicContact CB-CB 4.42Å; E1241-K1244 HydrophobicContact CB-CD 4.21Å; E1241-K1244 HydrophobicContact CB-CG 4.36Å; E1241-K1244 VanDerWaalsContact CD-NZ 3.26Å; E1241-K1244 PolarHBondContact O-N 3.39Å; E1241-K1244 WeakPolarHBondContact OE1-CE 3.41Å; E1241-K1244 IonicContact OE1-NZ 2.89Å; E1241-K1244 PolarHBondContact OE1-NZ 3.39Å; E1241-K1244 WeakPolarHBondContact OE2-CD 3.4Å; E1241-K1244 WeakPolarHBondContact OE2-CE 3.24Å; E1241-K1244 IonicContact OE2-NZ 2.62Å; E1241-K1244 PolarHBondContact OE2-NZ 2.69Å; Q1242-K1244 VanDerWaalsContact C-N 3.33Å; Q1242-K1244 PolarHBondContact O-N 3.28Å; K1244-H1248 WeakPolarHBondContact O-CB 3.32Å; K1244-H1248 PolarHBondContact O-N 3.12Å
1245	A	82.5	Confident	83.7	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-67.8	-41.1	173.2	0	0	0	0	0	112.9	E1241 Q1242 H1248 V1249 I1260	E1241-A1245 PolarHBondContact O-N 3.2Å; Q1242-A1245 PolarHBondContact O-N 3.44Å; A1245-H1248 WeakPolarHBondContact O-CB 3.49Å; A1245-H1248 PolarHBondContact O-N 3.01Å; A1245-V1249 WeakPolarHBondContact O-CG2 3.48Å; A1245-V1249 PolarHBondContact O-N 3.46Å; A1245-I1260 HydrophobicContact CB-CD1 4.14Å; A1245-I1260 HydrophobicContact CB-CG1 4.37Å; A1245-I1260 HydrophobicContact CB-CG2 3.93Å
1246	R	88	Confident	83.2	Confident	50 Å²	50	71.8 Å²	71.8	19%	0.189	34%	0.342	C	S	.	.	H	α-helix	trans	-56.4	-53.9	173.8	-178.7	171	-73.2	-88.4	3.3	110.6	Q1242 H1248 V1249 E1250 G1257 D1258 I1260	Q1242-R1246 VanDerWaalsContact O-CB 3.24Å; Q1242-R1246 WeakPolarHBondContact O-CB 3.39Å; Q1242-R1246 PolarHBondContact O-N 3.33Å; R1246-H1248 VanDerWaalsContact C-N 3.3Å; R1246-H1248 PolarHBondContact O-N 3.28Å; R1246-V1249 PolarHBondContact O-N 3.08Å; R1246-E1250 VanDerWaalsContact CG-CD 3.5Å; R1246-E1250 WeakPolarHBondContact CG-OE1 3.13Å; R1246-E1250 IonicContact NH1-OE1 2.77Å; R1246-E1250 WeakPolarHBondContact O-CB 3.4Å; R1246-E1250 VanDerWaalsContact O-CG 3.28Å; R1246-E1250 WeakPolarHBondContact O-CG 3.27Å; R1246-E1250 PolarHBondContact O-N 3.09Å; R1246-G1257 VanDerWaalsContact NH1-C 3.33Å; R1246-G1257 PolarHBondContact NH1-O 3.14Å; R1246-G1257 PolarHBondContact NH2-O 3.42Å; R1246-D1258 IonicContact CZ-OD1 2.81Å; R1246-D1258 IonicContact NH1-OD1 3.93Å; R1246-D1258 PolarHBondContact NH1-OD1 3.1Å; R1246-D1258 IonicContact NH2-OD1 2.62Å; R1246-D1258 PolarHBondContact NH2-OD1 3.18Å; R1246-I1260 HydrophobicContact CB-CD1 3.76Å
1247	R	84.7	Confident	82.5	Confident	147 Å²	147	61 Å²	61	56%	0.555	30%	0.301	S	S	*	.	H	α-helix	trans	-57.9	-40.7	175.8	-172.5	180	-64	157.4	0.7	112	S1243 H1251	S1243-R1247 VanDerWaalsContact O-CB 3.25Å; S1243-R1247 WeakPolarHBondContact O-CB 3.31Å; S1243-R1247 PolarHBondContact O-N 3.43Å; R1247-H1251 WeakPolarHBondContact O-CB 3.39Å; R1247-H1251 PolarHBondContact O-N 2.72Å; R1247-H1251 PolarHBondContact O-ND1 3.06Å
1248	H	89	Confident	81.7	Confident	33 Å²	33	60.7 Å²	60.7	15%	0.153	31%	0.305	C	S	.	.	H	α-helix	trans	-60.8	-51.8	174.3	171.7	86	0	0	0	112	C1232 C1235 Y1237 K1244 A1245 R1246 E1250 H1251 V1252 H1253	C1232-H1248 PolarHBondContact SG-NE2 2.81Å; C1235-H1248 PolarHBondContact SG-CE1 3.42Å; C1235-H1248 PolarHBondContact SG-NE2 2.85Å; Y1237-H1248 HydrophobicContact CD1-CB 3.64Å; Y1237-H1248 AromaticContact CD1-CD2 3.88Å; Y1237-H1248 AromaticContact CD1-CG 3.43Å; Y1237-H1248 VanDerWaalsContact CD1-CG 3.43Å; Y1237-H1248 AromaticContact CD1-ND1 3.86Å; Y1237-H1248 HydrophobicContact CD2-CB 4.47Å; Y1237-H1248 AromaticContact CD2-CG 3.92Å; Y1237-H1248 AromaticContact CD2-ND1 3.43Å; Y1237-H1248 WeakPolarHBondContact CD2-ND1 3.45Å; Y1237-H1248 HydrophobicContact CE1-CB 3.6Å; Y1237-H1248 AromaticContact CE1-CG 3.91Å; Y1237-H1248 HydrophobicContact CE2-CB 4.44Å; Y1237-H1248 AromaticContact CE2-ND1 3.99Å; Y1237-H1248 HydrophobicContact CG-CB 4.09Å; Y1237-H1248 AromaticContact CG-CD2 3.87Å; Y1237-H1248 AromaticContact CG-CG 3.43Å; Y1237-H1248 VanDerWaalsContact CG-CG 3.43Å; Y1237-H1248 AromaticContact CG-ND1 3.35Å; K1244-H1248 WeakPolarHBondContact O-CB 3.32Å; K1244-H1248 PolarHBondContact O-N 3.12Å; A1245-H1248 WeakPolarHBondContact O-CB 3.49Å; A1245-H1248 PolarHBondContact O-N 3.01Å; R1246-H1248 VanDerWaalsContact C-N 3.3Å; R1246-H1248 PolarHBondContact O-N 3.28Å; H1248-E1250 VanDerWaalsContact C-N 3.29Å; H1248-E1250 PolarHBondContact O-N 3.35Å; H1248-H1251 PolarHBondContact O-N 2.9Å; H1248-V1252 WeakPolarHBondContact CE1-CG1 3.16Å; H1248-V1252 WeakPolarHBondContact CE1-CG2 3.26Å; H1248-V1252 VanDerWaalsContact O-CB 3.32Å; H1248-V1252 WeakPolarHBondContact O-CB 3.4Å; H1248-V1252 PolarHBondContact O-N 2.69Å; H1248-H1253 AromaticContact CD2-CD2 3.98Å; H1248-H1253 AromaticContact NE2-CD2 2.72Å; H1248-H1253 PolarHBondContact NE2-CD2 3.18Å; H1248-H1253 AromaticContact NE2-CE1 3.45Å; H1248-H1253 PolarHBondContact NE2-CE1 2.98Å; H1248-H1253 AromaticContact NE2-NE2 2.17Å; H1248-H1253 PolarHBondContact NE2-NE2 2.84Å
1249	V	84.7	Confident	81.1	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	I	π-helix	trans	-58.6	-44.8	179.4	174.5	0	0	0	0	110.4	C1232 Y1234 A1245 R1246 H1253 N1254 I1260	C1232-V1249 HydrophobicContact CB-CG2 4.29Å; Y1234-V1249 HydrophobicContact CD2-CG1 4.22Å; Y1234-V1249 HydrophobicContact CE2-CG1 4.1Å; A1245-V1249 WeakPolarHBondContact O-CG2 3.48Å; A1245-V1249 PolarHBondContact O-N 3.46Å; R1246-V1249 PolarHBondContact O-N 3.08Å; V1249-H1253 CarbonylContact O-C 3.21Å; V1249-H1253 WeakPolarHBondContact O-CA 3.3Å; V1249-H1253 WeakPolarHBondContact O-CB 3.07Å; V1249-H1253 PolarHBondContact O-N 3.06Å; V1249-H1253 VanDerWaalsContact O-N 3.09Å; V1249-N1254 PolarHBondContact O-N 2.87Å; V1249-I1260 HydrophobicContact CG2-CG1 4.31Å
1250	E	83	Confident	80.6	Confident	66 Å²	66	58.8 Å²	58.8	31%	0.308	30%	0.301	S	S	.	.	I	π-helix	trans	-67.6	-37.1	-178.9	-70.5	161.9	179.7	0	0	113.3	R1246 H1248 N1254 G1257	R1246-E1250 VanDerWaalsContact CG-CD 3.5Å; R1246-E1250 WeakPolarHBondContact CG-OE1 3.13Å; R1246-E1250 IonicContact NH1-OE1 2.77Å; R1246-E1250 WeakPolarHBondContact O-CB 3.4Å; R1246-E1250 VanDerWaalsContact O-CG 3.28Å; R1246-E1250 WeakPolarHBondContact O-CG 3.27Å; R1246-E1250 PolarHBondContact O-N 3.09Å; H1248-E1250 VanDerWaalsContact C-N 3.29Å; H1248-E1250 PolarHBondContact O-N 3.35Å; E1250-N1254 WeakPolarHBondContact O-CA 3.31Å; E1250-N1254 PolarHBondContact O-N 3.31Å; E1250-G1257 PolarHBondContact OE1-N 3.25Å
1251	H	81	Confident	80.4	Confident	136 Å²	136	62 Å²	62	63%	0.63	32%	0.315	S	S	*	.	I	π-helix	trans	-92.3	-34.7	-177.1	-70.2	69.4	0	0	0	114.4	R1247 H1248	R1247-H1251 WeakPolarHBondContact O-CB 3.39Å; R1247-H1251 PolarHBondContact O-N 2.72Å; R1247-H1251 PolarHBondContact O-ND1 3.06Å; H1248-H1251 PolarHBondContact O-N 2.9Å
1252	V	83.4	Confident	80.1	Confident	81 Å²	81	64.9 Å²	64.9	49%	0.491	33%	0.33	S	S	.	.	I	π-helix	trans	-92.5	-30.7	-175.3	-178.3	0	0	0	0	111.7	H1248	H1248-V1252 WeakPolarHBondContact CE1-CG1 3.16Å; H1248-V1252 WeakPolarHBondContact CE1-CG2 3.26Å; H1248-V1252 VanDerWaalsContact O-CB 3.32Å; H1248-V1252 WeakPolarHBondContact O-CB 3.4Å; H1248-V1252 PolarHBondContact O-N 2.69Å
1253	H	80.1	Confident	79.5	Confident	46 Å²	46	65.5 Å²	65.5	21%	0.213	33%	0.333	C	S	.	.	I	π-helix	trans	-113	-8.5	-177.8	-57.6	-71.8	0	0	0	113.7	C1232 Y1234 C1235 H1248 V1249 I1255	C1232-H1253 PolarHBondContact SG-CD2 2.84Å; C1232-H1253 PolarHBondContact SG-NE2 3.46Å; Y1234-H1253 VanDerWaalsContact CB-CG 3.49Å; Y1234-H1253 VanDerWaalsContact CB-ND1 3.32Å; Y1234-H1253 WeakPolarHBondContact CB-ND1 3.32Å; Y1234-H1253 HydrophobicContact CD2-CB 3.94Å; Y1234-H1253 HydrophobicContact CG-CB 4.29Å; Y1234-H1253 PolarHBondContact O-CE1 3.24Å; C1235-H1253 PolarHBondContact SG-NE2 3.38Å; C1235-H1253 VanDerWaalsContact SG-NE2 3.37Å; H1248-H1253 AromaticContact CD2-CD2 3.98Å; H1248-H1253 AromaticContact NE2-CD2 2.72Å; H1248-H1253 PolarHBondContact NE2-CD2 3.18Å; H1248-H1253 AromaticContact NE2-CE1 3.45Å; H1248-H1253 PolarHBondContact NE2-CE1 2.98Å; H1248-H1253 AromaticContact NE2-NE2 2.17Å; H1248-H1253 PolarHBondContact NE2-NE2 2.84Å; V1249-H1253 CarbonylContact O-C 3.21Å; V1249-H1253 WeakPolarHBondContact O-CA 3.3Å; V1249-H1253 WeakPolarHBondContact O-CB 3.07Å; V1249-H1253 PolarHBondContact O-N 3.06Å; V1249-H1253 VanDerWaalsContact O-N 3.09Å; H1253-I1255 HydrophobicContact CB-CD1 4.47Å; H1253-I1255 WeakPolarHBondContact O-CG1 3.42Å; H1253-I1255 PolarHBondContact O-N 3.22Å; H1253-I1255 VanDerWaalsContact O-N 3.1Å
1254	N	78.1	Confident	78.8	Confident	122 Å²	122	64.5 Å²	64.5	65%	0.652	33%	0.328	S	S	*	.			trans	53.4	26.2	-178.6	-63.9	-80.4	0	0	0	114	V1249 E1250	V1249-N1254 PolarHBondContact O-N 2.87Å; E1250-N1254 WeakPolarHBondContact O-CA 3.31Å; E1250-N1254 PolarHBondContact O-N 3.31Å
1255	I	75.2	Confident	77.8	Confident	68 Å²	68	64.5 Å²	64.5	35%	0.349	33%	0.329	S	S	.	.	S	Bend	trans	-110.3	153.4	176.7	-66.9	162.4	0	0	0	108.2	Y1234 H1253 G1257	Y1234-I1255 HydrophobicContact CD1-CD1 4.28Å; Y1234-I1255 HydrophobicContact CD2-CD1 4.2Å; Y1234-I1255 HydrophobicContact CE1-CD1 3.84Å; Y1234-I1255 HydrophobicContact CE2-CB 4.08Å; Y1234-I1255 HydrophobicContact CE2-CD1 3.75Å; Y1234-I1255 HydrophobicContact CE2-CG2 3.91Å; Y1234-I1255 HydrophobicContact CG-CD1 4.46Å; H1253-I1255 HydrophobicContact CB-CD1 4.47Å; H1253-I1255 WeakPolarHBondContact O-CG1 3.42Å; H1253-I1255 PolarHBondContact O-N 3.22Å; H1253-I1255 VanDerWaalsContact O-N 3.1Å; I1255-G1257 PolarHBondContact O-N 3.31Å
1256	S	74	Confident	76.9	Confident	85 Å²	85	65 Å²	65	59%	0.594	33%	0.332	S	S	*	.			trans	-55.6	122.4	177.2	53.1	0	0	0	0	112.2	D1258 A1259	S1256-D1258 PolarHBondContact O-N 2.93Å; S1256-A1259 PolarHBondContact O-N 3.47Å; S1256-A1259 VanDerWaalsContact O-N 3.11Å
1257	G	68.4	Low	76.2	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	20.1	-179.4	0	0	0	0	0	115.7	R1246 E1250 I1255 A1259 I1260	R1246-G1257 VanDerWaalsContact NH1-C 3.33Å; R1246-G1257 PolarHBondContact NH1-O 3.14Å; R1246-G1257 PolarHBondContact NH2-O 3.42Å; E1250-G1257 PolarHBondContact OE1-N 3.25Å; I1255-G1257 PolarHBondContact O-N 3.31Å; G1257-A1259 VanDerWaalsContact C-N 3.31Å; G1257-I1260 WeakPolarHBondContact O-CD1 3.19Å; G1257-I1260 WeakPolarHBondContact O-CG1 3.49Å
1258	D	72.7	Confident	75.6	Confident	75 Å²	75	61.9 Å²	61.9	40%	0.401	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-24.5	159.1	-80.2	3.8	0	0	0	110.9	S507 R1246 S1256 I1260	S507-D1258 PolarHBondContact OG-OD2 2.96Å; R1246-D1258 IonicContact CZ-OD1 2.81Å; R1246-D1258 IonicContact NH1-OD1 3.93Å; R1246-D1258 PolarHBondContact NH1-OD1 3.1Å; R1246-D1258 IonicContact NH2-OD1 2.62Å; R1246-D1258 PolarHBondContact NH2-OD1 3.18Å; S1256-D1258 PolarHBondContact O-N 2.93Å; D1258-I1260 VanDerWaalsContact C-N 3.28Å; D1258-I1260 PolarHBondContact O-N 2.84Å
1259	A	71.6	Confident	74.7	Confident	31 Å²	31	66.3 Å²	66.3	26%	0.256	35%	0.348	S	S	.	.			trans	-79.9	69.6	172.8	0	0	0	0	0	111.6	P1233 Y1234 S1256 G1257	P1233-A1259 WeakPolarHBondContact CD-O 3.31Å; P1233-A1259 HydrophobicContact CG-CB 4.44Å; P1233-A1259 VanDerWaalsContact CG-O 3.27Å; P1233-A1259 WeakPolarHBondContact CG-O 3.41Å; Y1234-A1259 HydrophobicContact CE2-CB 4.23Å; S1256-A1259 PolarHBondContact O-N 3.47Å; S1256-A1259 VanDerWaalsContact O-N 3.11Å; G1257-A1259 VanDerWaalsContact C-N 3.31Å
1260	I	78.4	Confident	74.4	Confident	20 Å²	20	71.6 Å²	71.6	10%	0.103	37%	0.373	C	S	.	.			trans	-115.5	128.4	170.7	-58.5	165	0	0	0	108.1	Y1230 R1231 Q1242 A1245 R1246 V1249 G1257 D1258 I1262	Y1230-I1260 HydrophobicContact CD1-CG2 4.2Å; R1231-I1260 WeakPolarHBondContact O-CG2 3.39Å; Q1242-I1260 HydrophobicContact CG-CD1 3.82Å; A1245-I1260 HydrophobicContact CB-CD1 4.14Å; A1245-I1260 HydrophobicContact CB-CG1 4.37Å; A1245-I1260 HydrophobicContact CB-CG2 3.93Å; R1246-I1260 HydrophobicContact CB-CD1 3.76Å; V1249-I1260 HydrophobicContact CG2-CG1 4.31Å; G1257-I1260 WeakPolarHBondContact O-CD1 3.19Å; G1257-I1260 WeakPolarHBondContact O-CG1 3.49Å; D1258-I1260 VanDerWaalsContact C-N 3.28Å; D1258-I1260 PolarHBondContact O-N 2.84Å; I1260-I1262 PolarHBondContact O-N 3.18Å
1261	E	75.7	Confident	74.1	Confident	80 Å²	80	71.8 Å²	71.8	37%	0.374	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122.6	171	-68.5	180	159.4	0	0	109	R1231 P1233	R1231-E1261 HydrophobicContact CB-CB 4.15Å; R1231-E1261 WeakPolarHBondContact CD-OE2 3.49Å; R1231-E1261 IonicContact CZ-OE2 3.65Å; R1231-E1261 PolarHBondContact N-O 3.24Å; R1231-E1261 IonicContact NE-OE2 2.67Å; R1231-E1261 PolarHBondContact O-N 2.95Å; P1233-E1261 HydrophobicContact CB-CG 4Å
1262	I	78.6	Confident	74	Confident	96 Å²	96	66.5 Å²	66.5	49%	0.492	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	97.4	176.5	-51.6	-179.1	0	0	0	108.5	P1229 Y1230 I1260 A1264	P1229-I1262 CarbonylContact O-C 3.48Å; P1229-I1262 WeakPolarHBondContact O-CA 3.4Å; Y1230-I1262 HydrophobicContact CD1-CD1 4.32Å; Y1230-I1262 HydrophobicContact CD1-CG1 3.96Å; Y1230-I1262 HydrophobicContact CD1-CG2 4.44Å; Y1230-I1262 HydrophobicContact CE1-CD1 3.97Å; Y1230-I1262 HydrophobicContact CE1-CG1 4.07Å; Y1230-I1262 HydrophobicContact CE1-CG2 4.2Å; I1260-I1262 PolarHBondContact O-N 3.18Å; I1262-A1264 PolarHBondContact O-N 2.98Å
1263	H	70.6	Confident	73.8	Confident	95 Å²	95	66.6 Å²	66.6	44%	0.44	35%	0.35	S	S	.	.			trans	-83.6	89.4	169.1	-72	-63.3	0	0	0	109.3	P1229 R1231	P1229-H1263 VanDerWaalsContact CA-O 3.3Å; P1229-H1263 WeakPolarHBondContact CA-O 3.48Å; P1229-H1263 WeakPolarHBondContact CB-O 3.46Å; P1229-H1263 PolarHBondContact O-N 3.4Å; R1231-H1263 PolarHBondContact NH1-NE2 3.34Å
1264	A	68.6	Low	73.7	Confident	39 Å²	39	67.7 Å²	67.7	32%	0.322	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-82.8	117.4	170.7	0	0	0	0	0	110.2	P745 Y1227 I1262	P745-A1264 HydrophobicContact CG-CB 3.97Å; Y1227-A1264 VanDerWaalsContact OH-CA 3.28Å; Y1227-A1264 WeakPolarHBondContact OH-CA 3.16Å; I1262-A1264 PolarHBondContact O-N 2.98Å
1265	E	66.4	Low	73.8	Confident	84 Å²	84	63.1 Å²	63.1	39%	0.393	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-67	144.6	163.2	-80.6	-179.5	-139	0	0	110.1	Y1227 I1268 K1271	Y1227-E1265 HydrophobicContact CE2-CB 3.77Å; Y1227-E1265 HydrophobicContact CE2-CG 3.91Å; Y1227-E1265 PolarHBondContact OH-N 2.93Å; E1265-I1268 HydrophobicContact CB-CB 4.29Å; E1265-I1268 VanDerWaalsContact O-CB 3.29Å; E1265-I1268 WeakPolarHBondContact O-CB 3.25Å; E1265-I1268 WeakPolarHBondContact O-CG2 3.42Å; E1265-I1268 PolarHBondContact O-N 3.03Å; E1265-K1271 IonicContact OE2-NZ 3.99Å; E1265-K1271 PolarHBondContact OE2-NZ 3.41Å
1266	E	63	Low	74	Confident	12 Å²	12	63.8 Å²	63.8	6%	0.056	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	153.1	172.3	-57.6	-176.2	-130.5	0	0	108.7	F742 V744 P745 T746 I1268 K1271	F742-E1266 WeakPolarHBondContact CA-OE1 3.2Å; F742-E1266 WeakPolarHBondContact CB-OE1 3.47Å; F742-E1266 HydrophobicContact CD1-CG 4.48Å; F742-E1266 WeakPolarHBondContact CD1-OE1 3.46Å; F742-E1266 WeakPolarHBondContact CD1-OE2 3.37Å; F742-E1266 VanDerWaalsContact CE1-OE2 3.22Å; F742-E1266 WeakPolarHBondContact CE1-OE2 3.47Å; F742-E1266 VanDerWaalsContact CG-OE1 3.27Å; F742-E1266 WeakPolarHBondContact CG-OE1 3.44Å; V744-E1266 VanDerWaalsContact CG1-OE1 3.27Å; V744-E1266 WeakPolarHBondContact CG1-OE1 3.39Å; V744-E1266 WeakPolarHBondContact CG1-OE2 3.47Å; P745-E1266 VanDerWaalsContact CA-CD 3.42Å; P745-E1266 HydrophobicContact CB-CG 3.98Å; P745-E1266 HydrophobicContact CG-CG 4.35Å; P745-E1266 VanDerWaalsContact N-OE1 3.15Å; T746-E1266 VanDerWaalsContact O-OE2 3.12Å; T746-E1266 PolarHBondContact OG1-OE2 2.82Å; E1266-I1268 PolarHBondContact O-N 3.5Å; E1266-I1268 VanDerWaalsContact O-N 3.1Å; E1266-K1271 PolarHBondContact O-NZ 3.2Å
1267	N	72.4	Confident	74.1	Confident	106 Å²	106	62.3 Å²	62.3	57%	0.567	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	18	-164.9	-64.3	39.1	0	0	0	114.3	K1269 E1270 K1271	N1267-K1269 VanDerWaalsContact C-N 3.29Å; N1267-K1269 PolarHBondContact O-N 3.43Å; N1267-E1270 HydrophobicContact CB-CB 4.48Å; N1267-E1270 VanDerWaalsContact CB-OE2 3.32Å; N1267-E1270 WeakPolarHBondContact CB-OE2 3.36Å; N1267-E1270 PolarHBondContact ND2-OE2 3.49Å; N1267-E1270 WeakPolarHBondContact O-CB 3.42Å; N1267-E1270 PolarHBondContact O-N 2.97Å; N1267-K1271 WeakPolarHBondContact O-CG 3.38Å; N1267-K1271 PolarHBondContact O-N 2.85Å
1268	I	71.8	Confident	74.4	Confident	24 Å²	24	67.5 Å²	67.5	12%	0.123	35%	0.345	C	S	.	.	H	α-helix	trans	-65.6	-31.4	176.6	-169.1	65.1	0	0	0	113.1	L1225 Y1227 E1265 E1266 E1270 K1271 I1272	L1225-I1268 HydrophobicContact CD1-CD1 4.22Å; Y1227-I1268 HydrophobicContact CD1-CD1 3.89Å; Y1227-I1268 HydrophobicContact CD1-CG1 3.92Å; Y1227-I1268 HydrophobicContact CD2-CD1 3.48Å; Y1227-I1268 VanDerWaalsContact CD2-CD1 3.48Å; Y1227-I1268 HydrophobicContact CD2-CG1 4.14Å; Y1227-I1268 HydrophobicContact CE1-CD1 3.96Å; Y1227-I1268 HydrophobicContact CE1-CG1 3.55Å; Y1227-I1268 HydrophobicContact CE2-CB 4.41Å; Y1227-I1268 HydrophobicContact CE2-CD1 3.58Å; Y1227-I1268 HydrophobicContact CE2-CG1 3.8Å; Y1227-I1268 HydrophobicContact CG-CD1 3.62Å; Y1227-I1268 HydrophobicContact CG-CG1 4.17Å; Y1227-I1268 VanDerWaalsContact CZ-CG1 3.45Å; E1265-I1268 HydrophobicContact CB-CB 4.29Å; E1265-I1268 VanDerWaalsContact O-CB 3.29Å; E1265-I1268 WeakPolarHBondContact O-CB 3.25Å; E1265-I1268 WeakPolarHBondContact O-CG2 3.42Å; E1265-I1268 PolarHBondContact O-N 3.03Å; E1266-I1268 PolarHBondContact O-N 3.5Å; E1266-I1268 VanDerWaalsContact O-N 3.1Å; I1268-E1270 VanDerWaalsContact C-N 3.33Å; I1268-E1270 PolarHBondContact O-N 3.15Å; I1268-K1271 HydrophobicContact CD1-CB 4.24Å; I1268-K1271 HydrophobicContact CD1-CD 4.25Å; I1268-K1271 PolarHBondContact O-N 3.47Å; I1268-I1272 HydrophobicContact CD1-CD1 4.37Å; I1268-I1272 HydrophobicContact CD1-CG1 4.32Å; I1268-I1272 HydrophobicContact CG1-CD1 3.77Å; I1268-I1272 HydrophobicContact CG1-CG1 4.15Å; I1268-I1272 WeakPolarHBondContact O-CB 3.37Å; I1268-I1272 VanDerWaalsContact O-CG1 3.25Å; I1268-I1272 WeakPolarHBondContact O-CG1 3.17Å; I1268-I1272 PolarHBondContact O-N 2.84Å
1269	K	71.2	Confident	74.5	Confident	126 Å²	126	63.9 Å²	63.9	55%	0.548	33%	0.326	S	S	.	.	H	α-helix	trans	-58.5	-49.8	176	-64.8	176.8	-170.1	159.5	0	110.2	D747 N1267 I1272 T1273	D747-K1269 IonicContact OD1-NZ 2.72Å; D747-K1269 PolarHBondContact OD1-NZ 2.71Å; D747-K1269 WeakPolarHBondContact OD2-CE 3.38Å; D747-K1269 IonicContact OD2-NZ 2.69Å; D747-K1269 PolarHBondContact OD2-NZ 2.65Å; N1267-K1269 VanDerWaalsContact C-N 3.29Å; N1267-K1269 PolarHBondContact O-N 3.43Å; K1269-I1272 CarbonylContact O-C 3.29Å; K1269-I1272 WeakPolarHBondContact O-CA 3.39Å; K1269-I1272 WeakPolarHBondContact O-CB 3.18Å; K1269-I1272 PolarHBondContact O-N 2.19Å; K1269-I1272 VanDerWaalsContact O-N 3.1Å; K1269-T1273 PolarHBondContact O-N 3.34Å; K1269-T1273 PolarHBondContact O-OG1 2.89Å
1270	E	77.5	Confident	75	Confident	112 Å²	112	63.3 Å²	63.3	52%	0.523	32%	0.318	S	S	.	.	H	α-helix	trans	-59	-51.1	175.8	-179.4	-176.3	-143.7	0	0	111.4	N1267 I1268 I1272 T1273 D1274	N1267-E1270 HydrophobicContact CB-CB 4.48Å; N1267-E1270 VanDerWaalsContact CB-OE2 3.32Å; N1267-E1270 WeakPolarHBondContact CB-OE2 3.36Å; N1267-E1270 PolarHBondContact ND2-OE2 3.49Å; N1267-E1270 WeakPolarHBondContact O-CB 3.42Å; N1267-E1270 PolarHBondContact O-N 2.97Å; I1268-E1270 VanDerWaalsContact C-N 3.33Å; I1268-E1270 PolarHBondContact O-N 3.15Å; E1270-I1272 PolarHBondContact O-N 2.66Å; E1270-I1272 VanDerWaalsContact O-N 3.16Å; E1270-T1273 WeakPolarHBondContact CA-OG1 3.24Å; E1270-T1273 PolarHBondContact O-N 2.83Å; E1270-T1273 VanDerWaalsContact O-N 3.08Å; E1270-T1273 PolarHBondContact O-OG1 3.33Å; E1270-D1274 WeakPolarHBondContact O-CB 3.46Å; E1270-D1274 PolarHBondContact O-N 3.45Å
1271	K	78.5	Confident	73.9	Confident	70 Å²	70	65.9 Å²	65.9	30%	0.304	34%	0.336	S	S	.	.	H	α-helix	trans	-57.2	-31.5	173.5	-66.7	166.2	-172.3	157.1	0	112.8	L1225 E1265 E1266 N1267 I1268 M1275	L1225-K1271 HydrophobicContact CD1-CB 4.35Å; L1225-K1271 HydrophobicContact CD2-CB 4.3Å; E1265-K1271 IonicContact OE2-NZ 3.99Å; E1265-K1271 PolarHBondContact OE2-NZ 3.41Å; E1266-K1271 PolarHBondContact O-NZ 3.2Å; N1267-K1271 WeakPolarHBondContact O-CG 3.38Å; N1267-K1271 PolarHBondContact O-N 2.85Å; I1268-K1271 HydrophobicContact CD1-CB 4.24Å; I1268-K1271 HydrophobicContact CD1-CD 4.25Å; I1268-K1271 PolarHBondContact O-N 3.47Å; K1271-M1275 WeakPolarHBondContact O-CB 3.46Å; K1271-M1275 PolarHBondContact O-N 3Å
1272	I	77.3	Confident	72.7	Confident	25 Å²	25	68.2 Å²	68.2	13%	0.128	35%	0.351	C	S	.	.	H	α-helix	trans	-78.9	-35.1	176.4	-73.8	172	0	0	0	111.8	V1221 K1222 L1225 I1268 K1269 E1270 K1276	V1221-I1272 HydrophobicContact CG1-CB 4.31Å; V1221-I1272 HydrophobicContact CG1-CG1 4.26Å; V1221-I1272 HydrophobicContact CG1-CG2 4.04Å; K1222-I1272 HydrophobicContact CD-CD1 4.45Å; K1222-I1272 HydrophobicContact CG-CD1 3.93Å; L1225-I1272 HydrophobicContact CD1-CG1 3.58Å; I1268-I1272 HydrophobicContact CD1-CD1 4.37Å; I1268-I1272 HydrophobicContact CD1-CG1 4.32Å; I1268-I1272 HydrophobicContact CG1-CD1 3.77Å; I1268-I1272 HydrophobicContact CG1-CG1 4.15Å; I1268-I1272 WeakPolarHBondContact O-CB 3.37Å; I1268-I1272 VanDerWaalsContact O-CG1 3.25Å; I1268-I1272 WeakPolarHBondContact O-CG1 3.17Å; I1268-I1272 PolarHBondContact O-N 2.84Å; K1269-I1272 CarbonylContact O-C 3.29Å; K1269-I1272 WeakPolarHBondContact O-CA 3.39Å; K1269-I1272 WeakPolarHBondContact O-CB 3.18Å; K1269-I1272 PolarHBondContact O-N 2.19Å; K1269-I1272 VanDerWaalsContact O-N 3.1Å; E1270-I1272 PolarHBondContact O-N 2.66Å; E1270-I1272 VanDerWaalsContact O-N 3.16Å; I1272-K1276 WeakPolarHBondContact O-CB 3.26Å; I1272-K1276 VanDerWaalsContact O-CG 3.29Å; I1272-K1276 WeakPolarHBondContact O-CG 3.37Å; I1272-K1276 PolarHBondContact O-N 3.41Å
1273	T	79.3	Confident	71.5	Confident	82 Å²	82	70.1 Å²	70.1	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-73.6	-45.3	175.3	47	0	0	0	0	111.4	K1269 E1270 M1275 K1276 A1277	K1269-T1273 PolarHBondContact O-N 3.34Å; K1269-T1273 PolarHBondContact O-OG1 2.89Å; E1270-T1273 WeakPolarHBondContact CA-OG1 3.24Å; E1270-T1273 PolarHBondContact O-N 2.83Å; E1270-T1273 VanDerWaalsContact O-N 3.08Å; E1270-T1273 PolarHBondContact O-OG1 3.33Å; T1273-M1275 VanDerWaalsContact C-N 3.35Å; T1273-M1275 PolarHBondContact O-N 3.44Å; T1273-K1276 WeakPolarHBondContact O-CB 3.37Å; T1273-K1276 PolarHBondContact O-N 2.92Å; T1273-K1276 VanDerWaalsContact O-N 3.14Å; T1273-A1277 PolarHBondContact O-N 3.32Å
1274	D	79	Confident	69.8	Low	70 Å²	70	67 Å²	67	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-56.7	-45.7	170.8	170.8	30.7	0	0	0	111.4	E1270 A1277 R1278	E1270-D1274 WeakPolarHBondContact O-CB 3.46Å; E1270-D1274 PolarHBondContact O-N 3.45Å; D1274-A1277 PolarHBondContact O-N 3.18Å; D1274-R1278 PolarHBondContact O-N 3.49Å; D1274-R1278 IonicContact OD1-CZ 2.63Å; D1274-R1278 IonicContact OD1-NE 2.79Å; D1274-R1278 IonicContact OD1-NH1 2.86Å; D1274-R1278 PolarHBondContact OD1-NH1 3.47Å; D1274-R1278 IonicContact OD1-NH2 3.19Å; D1274-R1278 PolarHBondContact OD1-NH2 3.47Å; D1274-R1278 IonicContact OD2-CZ 3.96Å; D1274-R1278 IonicContact OD2-NH1 3.14Å; D1274-R1278 PolarHBondContact OD2-NH1 3.36Å; D1274-R1278 IonicContact OD2-NH2 3.68Å; D1274-R1278 PolarHBondContact OD2-NH2 3.14Å
1275	M	80.3	Confident	67.8	Low	25 Å²	25	71.7 Å²	71.7	12%	0.123	37%	0.37	C	S	.	.	H	α-helix	trans	-72	-31.1	174.4	-166.9	67.3	78	0	0	113.5	L1205 V1221 H1224 L1225 K1271 T1273 R1278 C1279	L1205-M1275 HydrophobicContact CD1-SD 3.37Å; L1205-M1275 WeakPolarHBondContact CD1-SD 3.36Å; V1221-M1275 HydrophobicContact CG1-CB 3.68Å; V1221-M1275 HydrophobicContact CG1-CG 3.77Å; H1224-M1275 HydrophobicContact CB-CG 4.08Å; H1224-M1275 HydrophobicContact CB-SD 4.23Å; L1225-M1275 HydrophobicContact CD1-CB 4.31Å; L1225-M1275 HydrophobicContact CD2-CB 4.22Å; L1225-M1275 HydrophobicContact CD2-CE 3.57Å; L1225-M1275 HydrophobicContact CD2-CG 4.34Å; L1225-M1275 HydrophobicContact CG-CB 4.26Å; L1225-M1275 HydrophobicContact CG-CE 4.19Å; L1225-M1275 HydrophobicContact CG-CG 4.18Å; K1271-M1275 WeakPolarHBondContact O-CB 3.46Å; K1271-M1275 PolarHBondContact O-N 3Å; T1273-M1275 VanDerWaalsContact C-N 3.35Å; T1273-M1275 PolarHBondContact O-N 3.44Å; M1275-R1278 PolarHBondContact O-N 3.01Å; M1275-R1278 HydrophobicContact SD-CB 4.47Å; M1275-C1279 VanDerWaalsContact O-CB 3.31Å; M1275-C1279 WeakPolarHBondContact O-CB 3.48Å; M1275-C1279 PolarHBondContact O-N 3.25Å; M1275-C1279 PolarHBondContact O-SG 3.19Å
1276	K	79.5	Confident	66	Low	82 Å²	82	74.6 Å²	74.6	36%	0.357	39%	0.393	S	S	.	.	H	α-helix	trans	-58.4	-48.4	168.4	-87.3	177.6	172.6	-171.3	0	110.1	I1217 V1221 I1272 T1273 C1279 F1280	I1217-K1276 HydrophobicContact CG2-CG 4.14Å; V1221-K1276 HydrophobicContact CG2-CG 4.05Å; I1272-K1276 WeakPolarHBondContact O-CB 3.26Å; I1272-K1276 VanDerWaalsContact O-CG 3.29Å; I1272-K1276 WeakPolarHBondContact O-CG 3.37Å; I1272-K1276 PolarHBondContact O-N 3.41Å; T1273-K1276 WeakPolarHBondContact O-CB 3.37Å; T1273-K1276 PolarHBondContact O-N 2.92Å; T1273-K1276 VanDerWaalsContact O-N 3.14Å; K1276-C1279 PolarHBondContact O-N 3.11Å; K1276-F1280 WeakPolarHBondContact O-CD2 3.35Å; K1276-F1280 PolarHBondContact O-N 2.96Å
1277	A	74.8	Confident	64.1	Low	55 Å²	55	79.8 Å²	79.8	46%	0.455	43%	0.431	S	S	.	.	H	α-helix	trans	-59	-50.5	178.4	0	0	0	0	0	110.9	T1273 D1274 C1279 F1280 P1281	T1273-A1277 PolarHBondContact O-N 3.32Å; D1274-A1277 PolarHBondContact O-N 3.18Å; A1277-C1279 VanDerWaalsContact C-N 3.31Å; A1277-C1279 PolarHBondContact O-N 3.2Å; A1277-F1280 CarbonylContact O-C 3.26Å; A1277-F1280 VanDerWaalsContact O-C 3.31Å; A1277-F1280 PolarHBondContact O-N 3.38Å; A1277-F1280 VanDerWaalsContact O-N 3.14Å; A1277-P1281 WeakPolarHBondContact O-CA 3.42Å; A1277-P1281 VanDerWaalsContact O-CB 3.27Å; A1277-P1281 WeakPolarHBondContact O-CB 3.02Å; A1277-P1281 WeakPolarHBondContact O-CD 3.23Å
1278	R	75.4	Confident	61.6	Low	108 Å²	108	83.6 Å²	83.6	41%	0.408	45%	0.45	S	S	.	.	H	α-helix	trans	-61.8	-32.9	175.6	-70.7	-170.8	-67	-103.9	-13.6	114.2	L1205 D1274 M1275	L1205-R1278 HydrophobicContact CD1-CB 4.07Å; D1274-R1278 PolarHBondContact O-N 3.49Å; D1274-R1278 IonicContact OD1-CZ 2.63Å; D1274-R1278 IonicContact OD1-NE 2.79Å; D1274-R1278 IonicContact OD1-NH1 2.86Å; D1274-R1278 PolarHBondContact OD1-NH1 3.47Å; D1274-R1278 IonicContact OD1-NH2 3.19Å; D1274-R1278 PolarHBondContact OD1-NH2 3.47Å; D1274-R1278 IonicContact OD2-CZ 3.96Å; D1274-R1278 IonicContact OD2-NH1 3.14Å; D1274-R1278 PolarHBondContact OD2-NH1 3.36Å; D1274-R1278 IonicContact OD2-NH2 3.68Å; D1274-R1278 PolarHBondContact OD2-NH2 3.14Å; M1275-R1278 PolarHBondContact O-N 3.01Å; M1275-R1278 HydrophobicContact SD-CB 4.47Å
1279	C	74.8	Confident	59.4	Low	0 Å²	0	84.9 Å²	84.9	0%	0	47%	0.47	C	S	.	.	H	α-helix	trans	-71.4	-36.2	174.2	-71	0	0	0	0	112.7	C1203 K1204 V1221 M1275 K1276 A1277	C1203-C1279 HydrophobicContact CB-CB 4.39Å; C1203-C1279 VanDerWaalsContact SG-CB 3.57Å; C1203-C1279 PolarHBondContact SG-SG 3.08Å; K1204-C1279 PolarHBondContact N-O 3.39Å; V1221-C1279 HydrophobicContact CG2-CB 4.49Å; M1275-C1279 VanDerWaalsContact O-CB 3.31Å; M1275-C1279 WeakPolarHBondContact O-CB 3.48Å; M1275-C1279 PolarHBondContact O-N 3.25Å; M1275-C1279 PolarHBondContact O-SG 3.19Å; K1276-C1279 PolarHBondContact O-N 3.11Å; A1277-C1279 VanDerWaalsContact C-N 3.31Å; A1277-C1279 PolarHBondContact O-N 3.2Å
1280	F	81.5	Confident	57.1	Low	19 Å²	19	85.5 Å²	85.5	8%	0.083	48%	0.479	C	S	.	.			trans	-141.8	60.7	-169.8	-48	-79.7	0	0	0	113.7	L1201 C1203 I1210 I1217 H1220 K1276 A1277 N1282 L1283	L1201-F1280 HydrophobicContact CB-CD1 4.14Å; L1201-F1280 HydrophobicContact CB-CE1 3.74Å; C1203-F1280 HydrophobicContact CB-CE1 3.94Å; C1203-F1280 HydrophobicContact CB-CZ 3.87Å; I1210-F1280 HydrophobicContact CD1-CE1 4.36Å; I1210-F1280 HydrophobicContact CD1-CZ 3.92Å; I1217-F1280 HydrophobicContact CG2-CD2 4.34Å; I1217-F1280 HydrophobicContact CG2-CE2 3.83Å; H1220-F1280 AromaticContact CD2-CZ 3.9Å; K1276-F1280 WeakPolarHBondContact O-CD2 3.35Å; K1276-F1280 PolarHBondContact O-N 2.96Å; A1277-F1280 CarbonylContact O-C 3.26Å; A1277-F1280 VanDerWaalsContact O-C 3.31Å; A1277-F1280 PolarHBondContact O-N 3.38Å; A1277-F1280 VanDerWaalsContact O-N 3.14Å; F1280-N1282 PolarHBondContact O-N 2.99Å; F1280-L1283 HydrophobicContact CB-CD1 3.85Å
1281	P	56.7	Low	54.5	Low	73 Å²	73	87.9 Å²	87.9	47%	0.474	49%	0.488	S	S	.	.			trans	-80	30.3	-171.5	35	-38.8	0	0	0	114.1	K1204 A1277	K1204-P1281 HydrophobicContact CD-CG 3.78Å; A1277-P1281 WeakPolarHBondContact O-CA 3.42Å; A1277-P1281 VanDerWaalsContact O-CB 3.27Å; A1277-P1281 WeakPolarHBondContact O-CB 3.02Å; A1277-P1281 WeakPolarHBondContact O-CD 3.23Å
1282	N	49.2	Very low	51.9	Low	130 Å²	130	93 Å²	93	70%	0.695	51%	0.506	S	S	*	.			trans	-127.4	48.9	-178.8	-76.5	90.1	0	0	0	109.4	K1204 F1280	K1204-N1282 WeakPolarHBondContact CE-OD1 3.23Å; K1204-N1282 PolarHBondContact NZ-OD1 3.37Å; F1280-N1282 PolarHBondContact O-N 2.99Å
1283	L	53.1	Low	49.3	Very low	135 Å²	135	97.4 Å²	97.4	71%	0.707	54%	0.535	S	S	*	.			trans	-132.4	16.4	-166	-100.8	171.4	0	0	0	114.6	F1280	F1280-L1283 HydrophobicContact CB-CD1 3.85Å
1284	G	35.3	Very low	46.5	Very low	30 Å²	30	99.5 Å²	99.5	31%	0.309	55%	0.551	S	S	.	*	S	Bend	trans	-136.7	0.6	-166.1	0	0	0	0	0	119.7	F294	F294-G1284 CarbonylContact C-O 3.41Å; F294-G1284 CarbonylContact O-C 3.57Å; F294-G1284 WeakPolarHBondContact O-CA 3.32Å
1285	Q	26.8	Very low	43.8	Very low	138 Å²	138	102.6 Å²	102.6	65%	0.645	57%	0.568	S	S	*	*			trans	-134	104.8	-173.3	-68.4	-179.3	-20.5	0	0	114.2	S292 G293	S292-Q1285 PolarHBondContact O-NE2 3.31Å; G293-Q1285 PolarHBondContact O-NE2 2.95Å
1286	V	28.3	Very low	41	Very low	145 Å²	145	105 Å²	105	88%	0.879	58%	0.579	S	S	*	*			trans	-165.8	135.7	139.5	176.6	0	0	0	0	107.2
1287	S	22.7	Very low	38.3	Very low	120 Å²	120	104 Å²	104	84%	0.839	58%	0.577	S	S	*	*			trans	-126.8	178.3	179	-56.1	0	0	0	0	112.8
1288	L	21.3	Very low	35.9	Very low	186 Å²	186	106 Å²	106	97%	0.974	58%	0.583	S	S	*	*			trans	-98.3	164.2	-161.6	-85.9	151.5	0	0	0	116.9
1289	G	24.8	Very low	33.2	Very low	52 Å²	52	106.3 Å²	106.3	54%	0.536	60%	0.597	S	S	.	*			trans	145.1	158.9	167.5	0	0	0	0	0	113.8
1290	D	23.7	Very low	30.8	Very low	138 Å²	138	114.7 Å²	114.7	74%	0.738	64%	0.636	S	S	*	*			cis	-165.1	164.7	-13.6	-74.5	-52.4	0	0	0	110.5
1291	F	21.7	Very low	28	Very low	162 Å²	162	120.9 Å²	120.9	71%	0.711	67%	0.67	S	S	*	*			trans	65.7	152.2	162.1	-61.2	-63.5	0	0	0	119.6
1292	Y	24.8	Very low	26.3	Very low	178 Å²	178	125 Å²	125	70%	0.698	69%	0.687	S	S	*	*			cis	-150.6	-174.5	-3	-121.4	-44.1	0	0	0	110.9
1293	T	21.4	Very low	25.2	Very low	118 Å²	118	129.7 Å²	129.7	72%	0.724	70%	0.696	S	S	*	*			trans	-126.6	159.4	-165.7	49.4	0	0	0	0	115.3
1294	C	21.7	Very low	24.4	Very low	126 Å²	126	127.9 Å²	127.9	85%	0.851	69%	0.692	S	S	*	*			trans	-177.5	157.8	152.2	-95.4	0	0	0	0	110.9
1295	D	22.2	Very low	23.6	Very low	134 Å²	134	134.3 Å²	134.3	72%	0.717	72%	0.716	S	S	*	*			trans	-117.9	-145.4	-174.7	-68.2	-95.2	0	0	0	111.8	G993 T994	G993-D1295 CarbonylContact C-O 3.52Å; G993-D1295 VanDerWaalsContact C-O 3.31Å; T994-D1295 CarbonylContact C-O 3.53Å; T994-D1295 PolarHBondContact N-O 3.39Å
1296	E	22.2	Very low	23.2	Very low	77 Å²	77	135.5 Å²	135.5	36%	0.36	73%	0.726	S	S	.	*			cis	-160	-137.7	2.3	-178.8	-122.2	-133.8	0	0	108.8	N991 P992 G993 T994 T995	N991-E1296 WeakPolarHBondContact CA-OE1 3.48Å; P992-E1296 WeakPolarHBondContact CA-OE2 3.3Å; G993-E1296 VanDerWaalsContact C-N 3.34Å; G993-E1296 PolarHBondContact N-OE2 2.84Å; T994-E1296 CarbonylContact C-O 3.37Å; T994-E1296 WeakPolarHBondContact CA-O 3.43Å; T994-E1296 VanDerWaalsContact N-N 3.17Å; T995-E1296 PolarHBondContact N-O 2.78Å
1297	L	22.5	Very low	22.8	Very low	59 Å²	59	133.6 Å²	133.6	31%	0.309	73%	0.725	S	S	.	*			trans	48.8	156.9	176.2	-71.7	-177.8	0	0	0	120.7	P992 G993 T994	P992-L1297 HydrophobicContact CB-CD1 4.32Å; P992-L1297 HydrophobicContact CB-CD2 4.36Å; P992-L1297 HydrophobicContact CB-CG 4.41Å; G993-L1297 VanDerWaalsContact CA-CG 3.44Å; T994-L1297 HydrophobicContact CG2-CB 3.79Å; T994-L1297 HydrophobicContact CG2-CD1 4.1Å
1298	T	23.4	Very low	22.7	Very low	97 Å²	97	133.5 Å²	133.5	60%	0.595	72%	0.724	S	S	*	*			cis	-163.7	157.3	-43.8	21.7	0	0	0	0	111.6
1299	V	19.9	Very low	22.6	Very low	115 Å²	115	129.6 Å²	129.6	70%	0.697	71%	0.713	S	S	*	*			trans	31	104.1	142.4	-172.8	0	0	0	0	120.7
1300	Q	24.2	Very low	22.7	Very low	176 Å²	176	137.2 Å²	137.2	82%	0.822	73%	0.731	S	S	*	*				28.4	134	124.2	-56.3	164.2	-47.5	0	0	120.9
1301	D	21.9	Very low	22.5	Very low	149 Å²	149	142.6 Å²	142.6	80%	0.797	74%	0.741	S	S	*	*				-159.7	161.3	113.9	-136.6	-22.1	0	0	0	115.3
1302	L	22.3	Very low	22.5	Very low	159 Å²	159	138.1 Å²	138.1	83%	0.832	74%	0.74	S	S	*	*			trans	73.3	140.1	154.7	-70.3	169.9	0	0	0	124.8
1303	R	24.4	Very low	22.2	Very low	230 Å²	230	137.3 Å²	137.3	87%	0.868	75%	0.747	S	S	*	*			trans	-107.5	-156.2	-177.5	-134.8	178.7	-174.6	166.5	1.3	106.9
1304	P	36	Very low	22.3	Very low	97 Å²	97	139.5 Å²	139.5	63%	0.63	75%	0.751	S	S	*	*			cis	-140.6	-166.7	-16.9	25.1	2	0	0	0	115.1
1305	M	18.6	Very low	22.2	Very low	164 Å²	164	140.4 Å²	140.4	81%	0.808	75%	0.748	S	S	*	*			trans	108.9	139.9	144.3	-58.5	-52.1	-86	0	0	121.5
1306	L	18.5	Very low	22.1	Very low	164 Å²	164	141.7 Å²	141.7	86%	0.859	75%	0.749	S	S	*	*			trans	-87.3	159.5	-179	-52	93	0	0	0	113.1
1307	A	21.6	Very low	22.3	Very low	105 Å²	105	143.6 Å²	143.6	87%	0.868	77%	0.766	S	S	*	*			trans	-152.1	157.5	153.8	0	0	0	0	0	111.9
1308	S	20.4	Very low	22.3	Very low	117 Å²	117	148.2 Å²	148.2	82%	0.818	79%	0.791	S	S	*	*			trans	-100.4	145.6	-160.3	-56.2	0	0	0	0	116.5
1309	S	19.1	Very low	22.2	Very low	104 Å²	104	149.1 Å²	149.1	73%	0.727	79%	0.792	S	S	*	*			trans	30.1	128.2	133	-178.2	0	0	0	0	121.3
1310	K	27.1	Very low	22.3	Very low	212 Å²	212	149.8 Å²	149.8	92%	0.922	79%	0.787	S	S	*	*			trans	-137.2	161	151.2	-83.2	-167.7	174.7	-177.1	0	111.5
1311	R	18	Very low	22.2	Very low	252 Å²	252	151.1 Å²	151.1	95%	0.951	79%	0.785	S	S	*	*			trans	-127	158.7	-177	-63.3	177.5	177.3	171.9	-3.2	111.9
1312	G	21.8	Very low	22.3	Very low	67 Å²	67	151.5 Å²	151.5	69%	0.691	78%	0.781	S	S	*	*			trans	158.5	119.1	166.5	0	0	0	0	0	108.9
1313	L	19.7	Very low	22.2	Very low	162 Å²	162	147 Å²	147	85%	0.848	77%	0.767	S	S	*	*				53.1	123.8	79.6	-103	70.9	0	0	0	112
1314	M	23.1	Very low	22.4	Very low	164 Å²	164	144.3 Å²	144.3	81%	0.808	76%	0.764	S	S	*	*			cis	-136.4	147.7	14.5	-93.6	169.1	157.7	0	0	110
1315	D	20.1	Very low	21.9	Very low	145 Å²	145	143.3 Å²	143.3	78%	0.775	76%	0.764	S	S	*	*				68.2	131.3	83.3	-146.9	69.2	0	0	0	113.5
1316	E	20	Very low	22.3	Very low	160 Å²	160	142.4 Å²	142.4	75%	0.748	76%	0.755	S	S	*	*			cis	-155.5	-173.7	-27.9	-143.6	-163.3	-147	0	0	108.9
1317	T	26.2	Very low	22.7	Very low	117 Å²	117	137.3 Å²	137.3	72%	0.718	74%	0.743	S	S	*	*			trans	68.1	136.3	177.6	77.3	0	0	0	0	115.2
1318	L	21.5	Very low	23	Very low	157 Å²	157	139.1 Å²	139.1	82%	0.822	74%	0.738	S	S	*	*			cis	65.1	114.3	30.4	-62	164.6	0	0	0	112.8
1319	D	21.5	Very low	23.5	Very low	115 Å²	115	137 Å²	137	62%	0.615	74%	0.735	S	S	*	*			cis	-163	170.9	48	-143.5	-5.4	0	0	0	116.8
1320	H	22.9	Very low	24.4	Very low	130 Å²	130	138.2 Å²	138.2	60%	0.602	73%	0.733	S	S	*	*			trans	30.6	104.2	152.7	-85.2	59.2	0	0	0	123.7
1321	R	20.9	Very low	25.1	Very low	204 Å²	204	131.2 Å²	131.2	77%	0.77	71%	0.711	S	S	*	*				51.2	102.1	118.6	-62.1	164.5	73.9	170.4	1.8	121.1
1322	E	24	Very low	27.3	Very low	156 Å²	156	122.9 Å²	122.9	73%	0.729	69%	0.688	S	S	*	*				-170.9	146.3	124.4	-104.6	161.9	-154.7	0	0	108.3	S1470 C1471	E1322-S1470 WeakPolarHBondContact O-CB 3.44Å; E1322-C1471 WeakPolarHBondContact O-CB 3.09Å
1323	A	21.6	Very low	29.5	Very low	64 Å²	64	121.4 Å²	121.4	53%	0.529	66%	0.662	S	S	.	*			cis	91.6	112.2	11.2	0	0	0	0	0	116.2
1324	H	27.6	Very low	31.7	Very low	175 Å²	175	116.9 Å²	116.9	81%	0.81	64%	0.636	S	S	*	*			trans	84.1	134.3	174.9	-58.2	-88.1	0	0	0	115.8	C1471	H1324-C1471 PolarHBondContact O-SG 2.86Å; H1324-C1471 VanDerWaalsContact O-SG 3.32Å
1325	A	26	Very low	34	Very low	75 Å²	75	109.1 Å²	109.1	62%	0.62	60%	0.598	S	S	*	*			cis	-153.8	157.1	5.2	0	0	0	0	0	113.9
1326	F	26.6	Very low	36.3	Very low	145 Å²	145	109.1 Å²	109.1	64%	0.636	59%	0.587	S	S	*	*			trans	169.2	137.6	152.2	-88.9	-59	0	0	0	106.2	L1484	F1326-L1484 HydrophobicContact CE2-CB 4.06Å; F1326-L1484 HydrophobicContact CE2-CD1 3.69Å; F1326-L1484 HydrophobicContact CE2-CG 4.37Å; F1326-L1484 HydrophobicContact CZ-CD1 3.61Å
1327	G	26.7	Very low	38.1	Very low	58 Å²	58	106 Å²	106	60%	0.598	57%	0.574	S	S	*	*			cis	-162.1	168.4	-11	0	0	0	0	0	109.8
1328	D	28.8	Very low	40.2	Very low	143 Å²	143	101.4 Å²	101.4	77%	0.765	55%	0.546	S	S	*	.			trans	44.5	92.7	166	-57.7	-13.1	0	0	0	120
1329	G	31	Very low	42.1	Very low	72 Å²	72	99.8 Å²	99.8	74%	0.742	53%	0.534	S	S	*	.	S	Bend	trans	-158.5	143.4	154.4	0	0	0	0	0	108.8	S1331	G1329-S1331 PolarHBondContact O-N 2.91Å
1330	D	37.3	Very low	44.1	Very low	130 Å²	130	97.3 Å²	97.3	70%	0.695	52%	0.521	S	S	*	.			trans	-29.2	112.4	-170.2	-90.5	-54.5	0	0	0	115.1	V1332 T1343	D1330-V1332 HydrophobicContact CB-CG2 4.35Å; D1330-V1332 PolarHBondContact O-N 3.03Å; D1330-T1343 HydrophobicContact CB-CG2 4.5Å; D1330-T1343 WeakPolarHBondContact OD1-CG2 3.48Å
1331	S	42.6	Very low	46.3	Very low	65 Å²	65	97.5 Å²	97.5	46%	0.455	52%	0.52	S	S	.	.			trans	-72	98.9	169.6	42.7	0	0	0	0	109.6	G1329 Y1333	G1329-S1331 PolarHBondContact O-N 2.91Å; S1331-Y1333 WeakPolarHBondContact O-CD2 2.94Å; S1331-Y1333 VanDerWaalsContact O-CE2 3.27Å; S1331-Y1333 WeakPolarHBondContact O-CE2 3.04Å; S1331-Y1333 PolarHBondContact O-N 3.13Å; S1331-Y1333 WeakPolarHBondContact OG-CE2 3.35Å; S1331-Y1333 PolarHBondContact OG-OH 3.39Å; S1331-Y1333 VanDerWaalsContact OG-OH 3.08Å
1332	V	64.3	Low	48.3	Very low	77 Å²	77	89.7 Å²	89.7	47%	0.467	49%	0.492	S	S	.	.			trans	-85.1	88.4	179.9	-177.4	0	0	0	0	109.9	D1330 K1341 M1342	D1330-V1332 HydrophobicContact CB-CG2 4.35Å; D1330-V1332 PolarHBondContact O-N 3.03Å; V1332-K1341 HydrophobicContact CG1-CB 3.58Å; V1332-K1341 HydrophobicContact CG1-CD 4.21Å; V1332-K1341 HydrophobicContact CG1-CG 4.15Å; V1332-M1342 CarbonylContact C-O 3.48Å
1333	Y	67.7	Low	50.7	Low	36 Å²	36	84.3 Å²	84.3	14%	0.141	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.9	178.6	-55.6	-78	0	0	0	111.6	S1331 K1341 M1342 L1344 V1412 S1415	S1331-Y1333 WeakPolarHBondContact O-CD2 2.94Å; S1331-Y1333 VanDerWaalsContact O-CE2 3.27Å; S1331-Y1333 WeakPolarHBondContact O-CE2 3.04Å; S1331-Y1333 PolarHBondContact O-N 3.13Å; S1331-Y1333 WeakPolarHBondContact OG-CE2 3.35Å; S1331-Y1333 PolarHBondContact OG-OH 3.39Å; S1331-Y1333 VanDerWaalsContact OG-OH 3.08Å; Y1333-K1341 CarbonylContact O-C 3.53Å; Y1333-K1341 WeakPolarHBondContact O-CA 3.25Å; Y1333-M1342 PolarHBondContact N-O 2.88Å; Y1333-M1342 PolarHBondContact O-N 2.75Å; Y1333-L1344 HydrophobicContact CD2-CD1 4.4Å; Y1333-L1344 HydrophobicContact CE2-CB 4.02Å; Y1333-L1344 HydrophobicContact CE2-CD1 3.72Å; Y1333-L1344 HydrophobicContact CE2-CG 4.49Å; Y1333-V1412 HydrophobicContact CD1-CB 4.4Å; Y1333-V1412 HydrophobicContact CD1-CG2 3.26Å; Y1333-V1412 HydrophobicContact CD2-CG2 3.87Å; Y1333-V1412 HydrophobicContact CE1-CB 4.44Å; Y1333-V1412 HydrophobicContact CE1-CG2 3.65Å; Y1333-V1412 HydrophobicContact CE2-CG2 4.22Å; Y1333-V1412 HydrophobicContact CG-CG2 3.37Å; Y1333-S1415 WeakPolarHBondContact CE1-OG 3.31Å; Y1333-S1415 PolarHBondContact OH-OG 3.26Å
1334	E	65.8	Low	52.9	Low	67 Å²	67	83.9 Å²	83.9	31%	0.313	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.4	178.7	-170.2	175.3	135.4	0	0	110.9	R1336 H1339 K1341	E1334-R1336 PolarHBondContact O-N 2.93Å; E1334-H1339 HydrophobicContact CG-CB 4.44Å; E1334-H1339 IonicContact OE1-CE1 3.19Å; E1334-H1339 IonicContact OE1-CG 2.71Å; E1334-H1339 IonicContact OE1-ND1 2.76Å; E1334-H1339 PolarHBondContact OE1-ND1 3.41Å; E1334-K1341 HydrophobicContact CB-CG 3.98Å; E1334-K1341 HydrophobicContact CG-CG 3.94Å; E1334-K1341 WeakPolarHBondContact OE2-CE 3.22Å; E1334-K1341 IonicContact OE2-NZ 2.73Å; E1334-K1341 PolarHBondContact OE2-NZ 3.01Å
1335	C	70.7	Confident	54.4	Low	0 Å²	0	83.5 Å²	83.5	0%	0	46%	0.457	C	S	.	.			trans	-72.4	109.9	-179.3	177.1	0	0	0	0	111.4	M1337 C1338 H1339 D1340 H1350 H1354 C1408 F1409	C1335-M1337 PolarHBondContact O-N 2.7Å; C1335-C1338 WeakPolarHBondContact CB-SG 3.19Å; C1335-C1338 PolarHBondContact O-N 3.25Å; C1335-C1338 PolarHBondContact SG-SG 2.89Å; C1335-H1339 WeakPolarHBondContact O-CA 3.35Å; C1335-H1339 PolarHBondContact O-N 3.43Å; C1335-D1340 PolarHBondContact N-O 3.05Å; C1335-H1350 PolarHBondContact SG-NE2 3.48Å; C1335-H1354 PolarHBondContact SG-NE2 3.11Å; C1335-C1408 CarbonylContact C-O 3.53Å; C1335-C1408 VanDerWaalsContact SG-CB 3.58Å; C1335-F1409 VanDerWaalsContact CA-CE1 3.43Å; C1335-F1409 HydrophobicContact CB-CD1 4.41Å; C1335-F1409 HydrophobicContact CB-CE1 3.61Å; C1335-F1409 HydrophobicContact CB-CE2 4.16Å; C1335-F1409 HydrophobicContact CB-CZ 3.47Å; C1335-F1409 VanDerWaalsContact CB-CZ 3.47Å
1336	R	69.4	Low	56.7	Low	145 Å²	145	82 Å²	82	55%	0.547	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.9	178.4	-63.8	-175.2	176.9	-165.8	-0.6	114.5	E1334 C1408 P1410 E1411	E1334-R1336 PolarHBondContact O-N 2.93Å; R1336-C1408 WeakPolarHBondContact CB-O 3.41Å; R1336-C1408 PolarHBondContact N-O 3.14Å; R1336-P1410 VanDerWaalsContact CZ-CG 3.47Å; R1336-E1411 IonicContact CZ-OE1 3.11Å; R1336-E1411 VanDerWaalsContact CZ-OE1 3.26Å; R1336-E1411 IonicContact NE-OE1 3.36Å; R1336-E1411 PolarHBondContact NE-OE1 2.82Å; R1336-E1411 IonicContact NH2-OE1 2.8Å; R1336-E1411 PolarHBondContact NH2-OE1 2.99Å
1337	M	56.6	Low	59.1	Low	96 Å²	96	75.1 Å²	75.1	47%	0.473	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-12	175.4	-81.8	-73.4	-62.3	0	0	114.5	C1335 H1354 C1408	C1335-M1337 PolarHBondContact O-N 2.7Å; M1337-H1354 WeakPolarHBondContact CB-CE1 3.32Å; M1337-H1354 PolarHBondContact O-CE1 3.26Å; M1337-C1408 VanDerWaalsContact CG-SG 3.54Å
1338	C	71.4	Confident	61	Low	19 Å²	19	72.5 Å²	72.5	13%	0.128	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-154.4	-9.7	-173.2	78.3	0	0	0	0	117	C1335 D1340 H1350 H1354 R2147	C1335-C1338 WeakPolarHBondContact CB-SG 3.19Å; C1335-C1338 PolarHBondContact O-N 3.25Å; C1335-C1338 PolarHBondContact SG-SG 2.89Å; C1338-D1340 PolarHBondContact O-N 3.28Å; C1338-D1340 VanDerWaalsContact SG-CB 3.59Å; C1338-D1340 PolarHBondContact SG-N 3.27Å; C1338-D1340 VanDerWaalsContact SG-N 3.4Å; C1338-D1340 PolarHBondContact SG-OD2 2.88Å; C1338-H1350 PolarHBondContact SG-CE1 2.91Å; C1338-H1350 PolarHBondContact SG-NE2 3.44Å; C1338-H1350 VanDerWaalsContact SG-NE2 3.36Å; C1338-H1354 WeakPolarHBondContact CB-CE1 3.48Å; C1338-R2147 PolarHBondContact O-NH2 3.29Å
1339	H	60.8	Low	62.6	Low	124 Å²	124	69.8 Å²	69.8	57%	0.574	37%	0.369	S	S	*	.			trans	56.7	22	-175.3	-57.6	-84.5	0	0	0	115.7	E1334 C1335	E1334-H1339 HydrophobicContact CG-CB 4.44Å; E1334-H1339 IonicContact OE1-CE1 3.19Å; E1334-H1339 IonicContact OE1-CG 2.71Å; E1334-H1339 IonicContact OE1-ND1 2.76Å; E1334-H1339 PolarHBondContact OE1-ND1 3.41Å; C1335-H1339 WeakPolarHBondContact O-CA 3.35Å; C1335-H1339 PolarHBondContact O-N 3.43Å
1340	D	62.7	Low	64.7	Low	63 Å²	63	67.1 Å²	67.1	34%	0.337	34%	0.338	S	S	.	.			trans	-76	135.2	166	-68.7	-65	0	0	0	109.3	C1335 C1338 R2147	C1335-D1340 PolarHBondContact N-O 3.05Å; C1338-D1340 PolarHBondContact O-N 3.28Å; C1338-D1340 VanDerWaalsContact SG-CB 3.59Å; C1338-D1340 PolarHBondContact SG-N 3.27Å; C1338-D1340 VanDerWaalsContact SG-N 3.4Å; C1338-D1340 PolarHBondContact SG-OD2 2.88Å; D1340-R2147 IonicContact OD2-CZ 3.81Å; D1340-R2147 IonicContact OD2-NH2 2.6Å; D1340-R2147 PolarHBondContact OD2-NH2 3.12Å
1341	K	70.2	Confident	66.2	Low	134 Å²	134	60.9 Å²	60.9	58%	0.583	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.7	-173.6	-88.1	-169.3	-170.6	-74	0	110.7	V1332 Y1333 E1334	V1332-K1341 HydrophobicContact CG1-CB 3.58Å; V1332-K1341 HydrophobicContact CG1-CD 4.21Å; V1332-K1341 HydrophobicContact CG1-CG 4.15Å; Y1333-K1341 CarbonylContact O-C 3.53Å; Y1333-K1341 WeakPolarHBondContact O-CA 3.25Å; E1334-K1341 HydrophobicContact CB-CG 3.98Å; E1334-K1341 HydrophobicContact CG-CG 3.94Å; E1334-K1341 WeakPolarHBondContact OE2-CE 3.22Å; E1334-K1341 IonicContact OE2-NZ 2.73Å; E1334-K1341 PolarHBondContact OE2-NZ 3.01Å
1342	M	62.2	Low	67.4	Low	40 Å²	40	59.9 Å²	59.9	20%	0.197	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	162.3	-171.6	63	-138.6	-48	0	0	116	V1332 Y1333 H1350 F1409	V1332-M1342 CarbonylContact C-O 3.48Å; Y1333-M1342 PolarHBondContact N-O 2.88Å; Y1333-M1342 PolarHBondContact O-N 2.75Å; M1342-H1350 HydrophobicContact CE-CB 3.51Å; M1342-H1350 HydrophobicContact SD-CB 3.61Å; M1342-H1350 PolarHBondContact SD-ND1 3.18Å; M1342-F1409 HydrophobicContact CG-CZ 4.46Å; M1342-F1409 HydrophobicContact SD-CZ 4.14Å
1343	T	75.2	Confident	67.2	Low	42 Å²	42	59.9 Å²	59.9	26%	0.258	29%	0.291	S	S	.	.			trans	-73.1	161.1	177.6	57.7	0	0	0	0	112.6	D1330 E1345 S1346	D1330-T1343 HydrophobicContact CB-CG2 4.5Å; D1330-T1343 WeakPolarHBondContact OD1-CG2 3.48Å; T1343-E1345 PolarHBondContact O-N 3.13Å; T1343-S1346 VanDerWaalsContact O-CB 3.32Å; T1343-S1346 WeakPolarHBondContact O-CB 3.39Å; T1343-S1346 PolarHBondContact O-N 3.31Å; T1343-S1346 PolarHBondContact OG1-OG 2.91Å
1344	L	67.1	Low	67	Low	55 Å²	55	61.5 Å²	61.5	29%	0.288	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-52.4	-47.9	-178.7	-165.2	73.9	0	0	0	112.9	Y1333 S1346 V1347 V1412	Y1333-L1344 HydrophobicContact CD2-CD1 4.4Å; Y1333-L1344 HydrophobicContact CE2-CB 4.02Å; Y1333-L1344 HydrophobicContact CE2-CD1 3.72Å; Y1333-L1344 HydrophobicContact CE2-CG 4.49Å; L1344-S1346 PolarHBondContact O-N 3.28Å; L1344-S1346 VanDerWaalsContact O-N 3.09Å; L1344-V1347 VanDerWaalsContact O-CB 3.25Å; L1344-V1347 WeakPolarHBondContact O-CB 2.9Å; L1344-V1347 WeakPolarHBondContact O-CG2 3.49Å; L1344-V1347 PolarHBondContact O-N 2.75Å; L1344-V1412 HydrophobicContact CD1-CG1 3.76Å
1345	E	60.1	Low	66.5	Low	168 Å²	168	60.2 Å²	60.2	79%	0.785	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-59.6	-22.9	178.4	-55.9	-173.3	147.3	0	0	114	T1343	T1343-E1345 PolarHBondContact O-N 3.13Å
1346	S	73.1	Confident	65.5	Low	43 Å²	43	62.4 Å²	62.4	30%	0.301	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-84.7	-13.3	178.6	-59.6	0	0	0	0	112.6	T1343 L1344 N1349 H1350	T1343-S1346 VanDerWaalsContact O-CB 3.32Å; T1343-S1346 WeakPolarHBondContact O-CB 3.39Å; T1343-S1346 PolarHBondContact O-N 3.31Å; T1343-S1346 PolarHBondContact OG1-OG 2.91Å; L1344-S1346 PolarHBondContact O-N 3.28Å; L1344-S1346 VanDerWaalsContact O-N 3.09Å; S1346-N1349 PolarHBondContact O-N 2.83Å; S1346-H1350 VanDerWaalsContact O-CB 3.31Å; S1346-H1350 WeakPolarHBondContact O-CB 3.21Å; S1346-H1350 PolarHBondContact O-N 3.29Å
1347	V	76.6	Confident	64.4	Low	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.2	-48.5	-173.2	174.2	0	0	0	0	111.4	L1344 N1349 H1350 V1351 R1405 F1409	L1344-V1347 VanDerWaalsContact O-CB 3.25Å; L1344-V1347 WeakPolarHBondContact O-CB 2.9Å; L1344-V1347 WeakPolarHBondContact O-CG2 3.49Å; L1344-V1347 PolarHBondContact O-N 2.75Å; V1347-N1349 VanDerWaalsContact C-N 3.34Å; V1347-N1349 PolarHBondContact O-N 3.31Å; V1347-H1350 WeakPolarHBondContact O-CB 3.14Å; V1347-H1350 PolarHBondContact O-N 3.05Å; V1347-V1351 HydrophobicContact CG1-CG2 4.06Å; V1347-V1351 WeakPolarHBondContact O-CB 3.03Å; V1347-V1351 WeakPolarHBondContact O-CG2 3.36Å; V1347-V1351 PolarHBondContact O-N 2.87Å; V1347-R1405 HydrophobicContact CG1-CG 3.89Å; V1347-R1405 VanDerWaalsContact CG1-NH1 3.29Å; V1347-F1409 HydrophobicContact CB-CE2 4.49Å; V1347-F1409 HydrophobicContact CG1-CD2 3.74Å; V1347-F1409 HydrophobicContact CG1-CE2 3.7Å; V1347-F1409 HydrophobicContact CG1-CG 4.5Å; V1347-F1409 HydrophobicContact CG1-CZ 4.38Å; V1347-F1409 HydrophobicContact CG2-CE2 4.4Å; V1347-F1409 HydrophobicContact CG2-CZ 4.29Å
1348	E	66.6	Low	64.4	Low	3 Å²	3	58.1 Å²	58.1	1%	0.014	30%	0.302	C	S	.	.	H	α-helix	trans	-57.4	-48.8	177.2	-155.3	-169.3	-170.8	0	0	112.8	H1350 V1351 R1352 V1401 E2042 A2043	E1348-H1350 PolarHBondContact O-N 3.13Å; E1348-V1351 PolarHBondContact O-N 3.04Å; E1348-V1351 VanDerWaalsContact O-N 3.1Å; E1348-R1352 VanDerWaalsContact CD-NH1 3.34Å; E1348-R1352 HydrophobicContact CG-CG 4.45Å; E1348-R1352 WeakPolarHBondContact O-CB 3.31Å; E1348-R1352 WeakPolarHBondContact O-CG 3.28Å; E1348-R1352 PolarHBondContact O-N 3.19Å; E1348-R1352 IonicContact OE1-CZ 2.99Å; E1348-R1352 IonicContact OE1-NE 2.81Å; E1348-R1352 PolarHBondContact OE1-NE 2.79Å; E1348-R1352 IonicContact OE1-NH1 3.68Å; E1348-R1352 IonicContact OE1-NH2 3.06Å; E1348-R1352 PolarHBondContact OE1-NH2 2.96Å; E1348-R1352 IonicContact OE2-CZ 3.38Å; E1348-R1352 IonicContact OE2-NE 3.6Å; E1348-R1352 IonicContact OE2-NH1 2.86Å; E1348-R1352 PolarHBondContact OE2-NH1 2.81Å; E1348-R1352 IonicContact OE2-NH2 3.32Å; E1348-R1352 PolarHBondContact OE2-NH2 3.21Å; E1348-V1401 HydrophobicContact CG-CG1 3.94Å; E1348-E2042 HydrophobicContact CB-CB 4.19Å; E1348-E2042 HydrophobicContact CB-CG 3.87Å; E1348-E2042 HydrophobicContact CG-CB 3.62Å; E1348-E2042 HydrophobicContact CG-CG 3.83Å; E1348-E2042 PolarHBondContact N-OE1 3.14Å; E1348-A2043 PolarHBondContact OE1-N 3.45Å; E1348-A2043 PolarHBondContact OE2-N 3.26Å
1349	N	63.7	Low	63.9	Low	86 Å²	86	58.6 Å²	58.6	46%	0.46	30%	0.301	S	S	.	.	H	α-helix	trans	-71.9	-23.4	-171.9	-68.9	-62	0	0	0	110.8	S1346 V1347 R1352 T1353	S1346-N1349 PolarHBondContact O-N 2.83Å; V1347-N1349 VanDerWaalsContact C-N 3.34Å; V1347-N1349 PolarHBondContact O-N 3.31Å; N1349-R1352 PolarHBondContact OD1-NH1 3.06Å; N1349-T1353 WeakPolarHBondContact O-CG2 3.48Å
1350	H	74.8	Confident	63.9	Low	16 Å²	16	58.6 Å²	58.6	7%	0.074	30%	0.296	C	S	.	.	H	α-helix	trans	-70.7	-52.7	163.7	-175.4	77.2	0	0	0	112.9	C1335 C1338 M1342 S1346 V1347 E1348 R1352 T1353 H1354 F1409	C1335-H1350 PolarHBondContact SG-NE2 3.48Å; C1338-H1350 PolarHBondContact SG-CE1 2.91Å; C1338-H1350 PolarHBondContact SG-NE2 3.44Å; C1338-H1350 VanDerWaalsContact SG-NE2 3.36Å; M1342-H1350 HydrophobicContact CE-CB 3.51Å; M1342-H1350 HydrophobicContact SD-CB 3.61Å; M1342-H1350 PolarHBondContact SD-ND1 3.18Å; S1346-H1350 VanDerWaalsContact O-CB 3.31Å; S1346-H1350 WeakPolarHBondContact O-CB 3.21Å; S1346-H1350 PolarHBondContact O-N 3.29Å; V1347-H1350 WeakPolarHBondContact O-CB 3.14Å; V1347-H1350 PolarHBondContact O-N 3.05Å; E1348-H1350 PolarHBondContact O-N 3.13Å; H1350-R1352 VanDerWaalsContact C-N 3.29Å; H1350-R1352 PolarHBondContact O-N 3.35Å; H1350-T1353 WeakPolarHBondContact O-CA 3.41Å; H1350-T1353 VanDerWaalsContact O-CB 3.24Å; H1350-T1353 WeakPolarHBondContact O-CB 3.17Å; H1350-T1353 WeakPolarHBondContact O-CG2 3.45Å; H1350-T1353 PolarHBondContact O-N 2.63Å; H1350-T1353 PolarHBondContact O-OG1 3.23Å; H1350-H1354 AromaticContact CD2-NE2 2.89Å; H1350-H1354 PolarHBondContact CD2-NE2 3.17Å; H1350-H1354 AromaticContact CE1-NE2 3.34Å; H1350-H1354 PolarHBondContact CE1-NE2 2.85Å; H1350-H1354 VanDerWaalsContact CE1-NE2 3.34Å; H1350-H1354 AromaticContact NE2-CD2 3.88Å; H1350-H1354 AromaticContact NE2-NE2 2.19Å; H1350-H1354 PolarHBondContact NE2-NE2 3.01Å; H1350-F1409 AromaticContact CD2-CZ 3.98Å
1351	V	68.4	Low	64.3	Low	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-42.1	-176.5	163.5	0	0	0	0	111	V1347 E1348 T1353 H1354 V1401 V1404 R1405 F1409	V1347-V1351 HydrophobicContact CG1-CG2 4.06Å; V1347-V1351 WeakPolarHBondContact O-CB 3.03Å; V1347-V1351 WeakPolarHBondContact O-CG2 3.36Å; V1347-V1351 PolarHBondContact O-N 2.87Å; E1348-V1351 PolarHBondContact O-N 3.04Å; E1348-V1351 VanDerWaalsContact O-N 3.1Å; V1351-T1353 PolarHBondContact O-N 3.41Å; V1351-T1353 VanDerWaalsContact O-N 3.1Å; V1351-H1354 PolarHBondContact O-N 3.3Å; V1351-H1354 VanDerWaalsContact O-N 3.15Å; V1351-V1401 HydrophobicContact CB-CG1 4.39Å; V1351-V1401 HydrophobicContact CG1-CB 3.97Å; V1351-V1401 HydrophobicContact CG1-CG1 3.58Å; V1351-V1401 HydrophobicContact CG1-CG2 4.25Å; V1351-V1401 WeakPolarHBondContact CG1-O 3.39Å; V1351-V1404 HydrophobicContact CB-CG1 4.39Å; V1351-V1404 HydrophobicContact CG1-CB 3.89Å; V1351-V1404 HydrophobicContact CG1-CG1 3.8Å; V1351-V1404 HydrophobicContact CG2-CG1 4.43Å; V1351-R1405 HydrophobicContact CG1-CB 4.26Å; V1351-R1405 HydrophobicContact CG2-CB 3.95Å; V1351-R1405 HydrophobicContact CG2-CG 4.3Å; V1351-F1409 HydrophobicContact CG2-CD2 4.32Å; V1351-F1409 HydrophobicContact CG2-CE2 3.96Å
1352	R	69	Low	64.2	Low	43 Å²	43	52.4 Å²	52.4	16%	0.162	27%	0.273	C	S	.	.	H	α-helix	trans	-54.6	-25.2	170.5	-73.9	169.8	168.1	163.5	-2.8	113.5	E1348 N1349 H1350 L1355 G1356 V1401 A2043	E1348-R1352 VanDerWaalsContact CD-NH1 3.34Å; E1348-R1352 HydrophobicContact CG-CG 4.45Å; E1348-R1352 WeakPolarHBondContact O-CB 3.31Å; E1348-R1352 WeakPolarHBondContact O-CG 3.28Å; E1348-R1352 PolarHBondContact O-N 3.19Å; E1348-R1352 IonicContact OE1-CZ 2.99Å; E1348-R1352 IonicContact OE1-NE 2.81Å; E1348-R1352 PolarHBondContact OE1-NE 2.79Å; E1348-R1352 IonicContact OE1-NH1 3.68Å; E1348-R1352 IonicContact OE1-NH2 3.06Å; E1348-R1352 PolarHBondContact OE1-NH2 2.96Å; E1348-R1352 IonicContact OE2-CZ 3.38Å; E1348-R1352 IonicContact OE2-NE 3.6Å; E1348-R1352 IonicContact OE2-NH1 2.86Å; E1348-R1352 PolarHBondContact OE2-NH1 2.81Å; E1348-R1352 IonicContact OE2-NH2 3.32Å; E1348-R1352 PolarHBondContact OE2-NH2 3.21Å; N1349-R1352 PolarHBondContact OD1-NH1 3.06Å; H1350-R1352 VanDerWaalsContact C-N 3.29Å; H1350-R1352 PolarHBondContact O-N 3.35Å; R1352-L1355 PolarHBondContact O-N 2.94Å; R1352-G1356 PolarHBondContact O-N 2.92Å; R1352-V1401 HydrophobicContact CG-CG2 3.67Å; R1352-A2043 PolarHBondContact NH2-O 3.32Å
1353	T	60.1	Low	64.3	Low	78 Å²	78	53.5 Å²	53.5	48%	0.479	28%	0.277	S	S	.	.	H	α-helix	trans	-71.3	-29.6	178.4	74.7	0	0	0	0	114	N1349 H1350 V1351 L1355	N1349-T1353 WeakPolarHBondContact O-CG2 3.48Å; H1350-T1353 WeakPolarHBondContact O-CA 3.41Å; H1350-T1353 VanDerWaalsContact O-CB 3.24Å; H1350-T1353 WeakPolarHBondContact O-CB 3.17Å; H1350-T1353 WeakPolarHBondContact O-CG2 3.45Å; H1350-T1353 PolarHBondContact O-N 2.63Å; H1350-T1353 PolarHBondContact O-OG1 3.23Å; V1351-T1353 PolarHBondContact O-N 3.41Å; V1351-T1353 VanDerWaalsContact O-N 3.1Å; T1353-L1355 PolarHBondContact O-N 2.91Å
1354	H	63.6	Low	64	Low	69 Å²	69	53.5 Å²	53.5	32%	0.319	28%	0.278	S	S	.	.	H	α-helix	trans	-70.2	-22.3	173.8	-63.5	-71.8	0	0	0	112	C1335 M1337 C1338 H1350 V1351 V1404 C1408	C1335-H1354 PolarHBondContact SG-NE2 3.11Å; M1337-H1354 WeakPolarHBondContact CB-CE1 3.32Å; M1337-H1354 PolarHBondContact O-CE1 3.26Å; C1338-H1354 WeakPolarHBondContact CB-CE1 3.48Å; H1350-H1354 AromaticContact CD2-NE2 2.89Å; H1350-H1354 PolarHBondContact CD2-NE2 3.17Å; H1350-H1354 AromaticContact CE1-NE2 3.34Å; H1350-H1354 PolarHBondContact CE1-NE2 2.85Å; H1350-H1354 VanDerWaalsContact CE1-NE2 3.34Å; H1350-H1354 AromaticContact NE2-CD2 3.88Å; H1350-H1354 AromaticContact NE2-NE2 2.19Å; H1350-H1354 PolarHBondContact NE2-NE2 3.01Å; V1351-H1354 PolarHBondContact O-N 3.3Å; V1351-H1354 VanDerWaalsContact O-N 3.15Å; H1354-V1404 HydrophobicContact CB-CG1 3.87Å; H1354-C1408 PolarHBondContact NE2-SG 3.23Å
1355	L	53.9	Low	63.8	Low	40 Å²	40	54.8 Å²	54.8	21%	0.209	29%	0.285	C	S	.	.	H	α-helix	trans	-103.9	-24.5	-164.6	-62.1	177	0	0	0	115.3	R1352 T1353 K1357 L1400 V1401 V1404	R1352-L1355 PolarHBondContact O-N 2.94Å; T1353-L1355 PolarHBondContact O-N 2.91Å; L1355-K1357 PolarHBondContact O-N 2.84Å; L1355-L1400 VanDerWaalsContact CD1-C 3.41Å; L1355-L1400 HydrophobicContact CD1-CB 4.33Å; L1355-L1400 HydrophobicContact CD1-CD2 4.49Å; L1355-L1400 HydrophobicContact CD1-CG 4.04Å; L1355-L1400 VanDerWaalsContact CD1-O 3.23Å; L1355-L1400 WeakPolarHBondContact CD1-O 3.23Å; L1355-L1400 HydrophobicContact CD2-CD1 4.34Å; L1355-L1400 HydrophobicContact CD2-CD2 3.85Å; L1355-L1400 HydrophobicContact CD2-CG 3.63Å; L1355-L1400 HydrophobicContact CG-CG 4.38Å; L1355-V1401 VanDerWaalsContact CD1-CA 3.48Å; L1355-V1401 HydrophobicContact CD1-CB 4.24Å; L1355-V1401 HydrophobicContact CD1-CG2 3.69Å; L1355-V1404 HydrophobicContact CD1-CB 4.43Å; L1355-V1404 HydrophobicContact CD1-CG2 4.35Å; L1355-V1404 HydrophobicContact CD2-CB 4.44Å; L1355-V1404 HydrophobicContact CD2-CG2 3.53Å; L1355-V1404 HydrophobicContact CG-CG2 4.11Å
1356	G	50	Low	63.7	Low	47 Å²	47	48.9 Å²	48.9	49%	0.485	26%	0.263	S	S	.	.			trans	65.8	5.4	165.4	0	0	0	0	0	117.7	R1352	R1352-G1356 PolarHBondContact O-N 2.92Å
1357	K	46.4	Very low	63.3	Low	110 Å²	110	53.1 Å²	53.1	48%	0.478	27%	0.272	S	S	.	.			trans	-83.3	141.7	168	-63.5	178.4	-176.4	176.2	0	108.9	L1355 V1397	L1355-K1357 PolarHBondContact O-N 2.84Å; K1357-V1397 HydrophobicContact CB-CG2 4.4Å; K1357-V1397 HydrophobicContact CD-CG2 3.9Å
1358	M	56.3	Low	63.1	Low	41 Å²	41	53.5 Å²	53.5	20%	0.202	27%	0.274	C	S	.	.			trans	-148.4	147.2	-166.5	-56.7	176.2	72.3	0	0	111.8	R1360 R1367 W1369 F1392	M1358-R1360 PolarHBondContact O-N 3.02Å; M1358-R1367 HydrophobicContact CB-CB 4.06Å; M1358-R1367 HydrophobicContact CE-CB 4.23Å; M1358-R1367 HydrophobicContact SD-CB 4.13Å; M1358-W1369 HydrophobicContact CE-CD2 3.69Å; M1358-W1369 VanDerWaalsContact CE-CE2 3.5Å; M1358-W1369 HydrophobicContact CE-CE3 4.16Å; M1358-W1369 HydrophobicContact CE-CG 4.11Å; M1358-W1369 HydrophobicContact CE-CH2 4.29Å; M1358-W1369 HydrophobicContact CE-CZ2 3.83Å; M1358-W1369 HydrophobicContact CE-CZ3 4.44Å; M1358-F1392 WeakPolarHBondContact O-CZ 3.27Å
1359	Y	60.1	Low	62.5	Low	29 Å²	29	58.4 Å²	58.4	11%	0.114	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	127.1	174.6	-60.7	-88.3	0	0	0	111.1	R1367 F1368 E1371	Y1359-R1367 CarbonylContact O-C 3.48Å; Y1359-R1367 VanDerWaalsContact O-CA 3.24Å; Y1359-R1367 WeakPolarHBondContact O-CA 3.38Å; Y1359-F1368 PolarHBondContact N-O 3.3Å; Y1359-F1368 VanDerWaalsContact N-O 3.15Å; Y1359-F1368 PolarHBondContact O-N 2.83Å; Y1359-E1371 HydrophobicContact CE1-CB 4.47Å
1360	R	61.3	Low	62.6	Low	123 Å²	123	56.3 Å²	56.3	46%	0.464	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.4	-177.4	-168	-168.9	-173.3	-164.9	-0.1	109.7	M1358 N1365 R1367 V1390	M1358-R1360 PolarHBondContact O-N 3.02Å; R1360-N1365 PolarHBondContact NE-OD1 3.03Å; R1360-N1365 VanDerWaalsContact NE-OD1 3.14Å; R1360-N1365 PolarHBondContact NH2-OD1 3.05Å; R1360-R1367 HydrophobicContact CB-CG 4.45Å; R1360-R1367 HydrophobicContact CG-CG 4.34Å; R1360-V1390 WeakPolarHBondContact O-CG1 3.32Å
1361	C	70.5	Confident	62.2	Low	2 Å²	2	56.8 Å²	56.8	1%	0.014	29%	0.285	C	S	.	.			trans	-66.3	135.7	167.7	177.6	0	0	0	0	110.2	H1363 C1364 S1366 F1368 V1374 H1377	C1361-H1363 VanDerWaalsContact C-N 3.31Å; C1361-H1363 PolarHBondContact SG-N 2.96Å; C1361-C1364 WeakPolarHBondContact CB-O 3.31Å; C1361-S1366 PolarHBondContact N-O 3.09Å; C1361-F1368 HydrophobicContact CB-CE2 4.26Å; C1361-V1374 HydrophobicContact CB-CG1 3.98Å; C1361-H1377 VanDerWaalsContact CB-CD2 3.46Å; C1361-H1377 WeakPolarHBondContact CB-CD2 3.44Å; C1361-H1377 PolarHBondContact SG-CD2 3.29Å; C1361-H1377 PolarHBondContact SG-NE2 3.47Å; C1361-H1377 VanDerWaalsContact SG-NE2 3.38Å
1362	P	68.3	Low	62.3	Low	65 Å²	65	63.5 Å²	63.5	42%	0.422	32%	0.316	S	S	.	.	S	Bend	trans	-67.6	-30.5	173.9	24.2	-31.6	0	0	0	112.7	I1378	P1362-I1378 HydrophobicContact CG-CD1 4.26Å
1363	H	65.2	Low	62.7	Low	64 Å²	64	66.4 Å²	66.4	30%	0.296	33%	0.33	S	S	.	.	S	Bend	trans	-97.6	-12.9	-170.7	-49.8	-52.1	0	0	0	114.8	C1361 H1382 V1385	C1361-H1363 VanDerWaalsContact C-N 3.31Å; C1361-H1363 PolarHBondContact SG-N 2.96Å; H1363-H1382 HydrophobicContact CB-CB 4.32Å; H1363-H1382 WeakPolarHBondContact CB-ND1 3.43Å; H1363-H1382 PolarHBondContact O-CE1 3.3Å; H1363-V1385 WeakPolarHBondContact NE2-CG1 3.43Å
1364	C	69.1	Low	63.5	Low	41 Å²	41	62.7 Å²	62.7	28%	0.277	31%	0.307	S	S	.	.	S	Bend	trans	-152.5	170.1	160.6	81.1	0	0	0	0	112.4	C1361 S1366 H1377 H1382	C1361-C1364 WeakPolarHBondContact CB-O 3.31Å; C1364-S1366 PolarHBondContact O-N 3.32Å; C1364-S1366 PolarHBondContact SG-OG 3.41Å; C1364-H1377 PolarHBondContact SG-CE1 2.69Å; C1364-H1377 PolarHBondContact SG-NE2 3.2Å; C1364-H1382 WeakPolarHBondContact CB-NE2 3.39Å; C1364-H1382 PolarHBondContact SG-NE2 3.07Å; C1364-H1382 VanDerWaalsContact SG-NE2 3.4Å
1365	N	62.1	Low	64.2	Low	82 Å²	82	62.7 Å²	62.7	44%	0.439	31%	0.306	S	S	.	.	S	Bend	trans	-73.8	15.8	-172.1	-151.1	47.4	0	0	0	115.7	R1360 L2176	R1360-N1365 PolarHBondContact NE-OD1 3.03Å; R1360-N1365 VanDerWaalsContact NE-OD1 3.14Å; R1360-N1365 PolarHBondContact NH2-OD1 3.05Å; N1365-L2176 HydrophobicContact CB-CD1 4.2Å
1366	S	58.6	Low	65.4	Low	44 Å²	44	66 Å²	66	31%	0.308	32%	0.319	S	S	.	.			trans	-70.1	138.8	177.3	-59.9	0	0	0	0	111	C1361 C1364 F1368 H1377	C1361-S1366 PolarHBondContact N-O 3.09Å; C1364-S1366 PolarHBondContact O-N 3.32Å; C1364-S1366 PolarHBondContact SG-OG 3.41Å; S1366-F1368 VanDerWaalsContact CB-CE2 3.43Å; S1366-H1377 PolarHBondContact OG-CE1 3.08Å
1367	R	64.9	Low	66.9	Low	132 Å²	132	64.2 Å²	64.2	50%	0.498	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.7	178.1	-69.3	-177.3	178.7	-161.3	-0.6	111	M1358 Y1359 R1360	M1358-R1367 HydrophobicContact CB-CB 4.06Å; M1358-R1367 HydrophobicContact CE-CB 4.23Å; M1358-R1367 HydrophobicContact SD-CB 4.13Å; Y1359-R1367 CarbonylContact O-C 3.48Å; Y1359-R1367 VanDerWaalsContact O-CA 3.24Å; Y1359-R1367 WeakPolarHBondContact O-CA 3.38Å; R1360-R1367 HydrophobicContact CB-CG 4.45Å; R1360-R1367 HydrophobicContact CG-CG 4.34Å
1368	F	71.9	Confident	68.5	Low	9 Å²	9	59 Å²	59	4%	0.039	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	157.8	-170.2	-59.4	-80.9	0	0	0	111.4	Y1359 C1361 S1366 K1373 V1374 H1377	Y1359-F1368 PolarHBondContact N-O 3.3Å; Y1359-F1368 VanDerWaalsContact N-O 3.15Å; Y1359-F1368 PolarHBondContact O-N 2.83Å; C1361-F1368 HydrophobicContact CB-CE2 4.26Å; S1366-F1368 VanDerWaalsContact CB-CE2 3.43Å; F1368-K1373 HydrophobicContact CB-CB 4.09Å; F1368-K1373 HydrophobicContact CD1-CB 3.75Å; F1368-K1373 HydrophobicContact CG-CB 4.14Å; F1368-V1374 HydrophobicContact CB-CG2 3.88Å; F1368-V1374 HydrophobicContact CD2-CB 4.18Å; F1368-V1374 HydrophobicContact CD2-CG1 4.23Å; F1368-V1374 HydrophobicContact CD2-CG2 3.81Å; F1368-V1374 HydrophobicContact CG-CG2 4.12Å; F1368-H1377 HydrophobicContact CE1-CB 3.95Å; F1368-H1377 HydrophobicContact CE2-CB 3.83Å; F1368-H1377 AromaticContact CE2-CD2 3.51Å; F1368-H1377 AromaticContact CE2-CG 3.59Å; F1368-H1377 HydrophobicContact CZ-CB 3.37Å; F1368-H1377 AromaticContact CZ-CD2 3.64Å; F1368-H1377 AromaticContact CZ-CG 3.22Å; F1368-H1377 AromaticContact CZ-ND1 3.59Å
1369	W	55.3	Low	69.5	Low	106 Å²	106	62.3 Å²	62.3	40%	0.402	29%	0.291	S	S	.	.	S	Bend	trans	-91.6	-15	179.9	-59.3	101.2	0	0	0	113.6	M1358	M1358-W1369 HydrophobicContact CE-CD2 3.69Å; M1358-W1369 VanDerWaalsContact CE-CE2 3.5Å; M1358-W1369 HydrophobicContact CE-CE3 4.16Å; M1358-W1369 HydrophobicContact CE-CG 4.11Å; M1358-W1369 HydrophobicContact CE-CH2 4.29Å; M1358-W1369 HydrophobicContact CE-CZ2 3.83Å; M1358-W1369 HydrophobicContact CE-CZ3 4.44Å
1370	T	65.6	Low	70.1	Confident	41 Å²	41	64.4 Å²	64.4	25%	0.252	31%	0.307	S	S	.	.	S	Bend	trans	-142	148.7	176.2	61.9	0	0	0	0	110	E1372 K1373	T1370-E1372 VanDerWaalsContact C-N 3.3Å; T1370-E1372 PolarHBondContact O-N 2.85Å; T1370-K1373 PolarHBondContact O-N 3.1Å; T1370-K1373 WeakPolarHBondContact OG1-CD 3.32Å; T1370-K1373 WeakPolarHBondContact OG1-CG 3.39Å
1371	E	66.7	Low	70.7	Confident	26 Å²	26	62.5 Å²	62.5	12%	0.121	31%	0.308	C	S	.	.	H	α-helix	trans	-59.4	-39.3	-179.4	-172.3	-175.9	102.7	0	0	112.6	Y1359 K1373 V1374 K1375 V2045	Y1359-E1371 HydrophobicContact CE1-CB 4.47Å; E1371-K1373 PolarHBondContact O-N 3.13Å; E1371-V1374 CarbonylContact O-C 3.14Å; E1371-V1374 WeakPolarHBondContact O-CA 3.42Å; E1371-V1374 VanDerWaalsContact O-CB 3.25Å; E1371-V1374 WeakPolarHBondContact O-CB 3.45Å; E1371-V1374 PolarHBondContact O-N 2.84Å; E1371-K1375 HydrophobicContact CG-CD 4.43Å; E1371-K1375 PolarHBondContact O-N 2.92Å; E1371-K1375 WeakPolarHBondContact OE1-CE 3.34Å; E1371-K1375 IonicContact OE1-NZ 2.66Å; E1371-K1375 PolarHBondContact OE1-NZ 2.85Å; E1371-V2045 HydrophobicContact CB-CG2 3.7Å; E1371-V2045 HydrophobicContact CG-CG2 4.48Å
1372	E	70.6	Confident	71	Confident	141 Å²	141	64 Å²	64	66%	0.659	32%	0.315	S	S	*	.	H	α-helix	trans	-52.7	-39.4	177.3	-52.7	176.1	129.1	0	0	112.5	T1370 V1374 K1375 F1376	T1370-E1372 VanDerWaalsContact C-N 3.3Å; T1370-E1372 PolarHBondContact O-N 2.85Å; E1372-V1374 VanDerWaalsContact C-N 3.31Å; E1372-K1375 PolarHBondContact O-N 3.35Å; E1372-F1376 WeakPolarHBondContact O-CB 3.26Å; E1372-F1376 PolarHBondContact O-N 2.7Å
1373	K	75.8	Confident	70.5	Confident	104 Å²	104	65.2 Å²	65.2	45%	0.452	32%	0.323	S	S	.	.	H	α-helix	trans	-72.5	-26.9	178.6	-69.7	168.3	-172.6	140.3	0	111.3	F1368 T1370 E1371 H1377	F1368-K1373 HydrophobicContact CB-CB 4.09Å; F1368-K1373 HydrophobicContact CD1-CB 3.75Å; F1368-K1373 HydrophobicContact CG-CB 4.14Å; T1370-K1373 PolarHBondContact O-N 3.1Å; T1370-K1373 WeakPolarHBondContact OG1-CD 3.32Å; T1370-K1373 WeakPolarHBondContact OG1-CG 3.39Å; E1371-K1373 PolarHBondContact O-N 3.13Å; K1373-H1377 WeakPolarHBondContact O-CB 3.41Å; K1373-H1377 PolarHBondContact O-N 3.1Å
1374	V	78.1	Confident	70.2	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-69.1	-48.1	167.5	-159.4	0	0	0	0	110.4	C1361 F1368 E1371 E1372 H1377 I1378 V1390	C1361-V1374 HydrophobicContact CB-CG1 3.98Å; F1368-V1374 HydrophobicContact CB-CG2 3.88Å; F1368-V1374 HydrophobicContact CD2-CB 4.18Å; F1368-V1374 HydrophobicContact CD2-CG1 4.23Å; F1368-V1374 HydrophobicContact CD2-CG2 3.81Å; F1368-V1374 HydrophobicContact CG-CG2 4.12Å; E1371-V1374 CarbonylContact O-C 3.14Å; E1371-V1374 WeakPolarHBondContact O-CA 3.42Å; E1371-V1374 VanDerWaalsContact O-CB 3.25Å; E1371-V1374 WeakPolarHBondContact O-CB 3.45Å; E1371-V1374 PolarHBondContact O-N 2.84Å; E1372-V1374 VanDerWaalsContact C-N 3.31Å; V1374-H1377 CarbonylContact O-C 2.94Å; V1374-H1377 WeakPolarHBondContact O-CB 3.15Å; V1374-H1377 PolarHBondContact O-N 3.31Å; V1374-H1377 VanDerWaalsContact O-N 3.15Å; V1374-I1378 HydrophobicContact CG1-CD1 4.28Å; V1374-I1378 WeakPolarHBondContact O-CG1 3.27Å; V1374-I1378 PolarHBondContact O-N 3.27Å; V1374-V1390 HydrophobicContact CB-CG2 4.18Å; V1374-V1390 HydrophobicContact CG1-CG2 3.8Å
1375	K	78.1	Confident	69.6	Low	69 Å²	69	70.3 Å²	70.3	30%	0.3	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-50.7	178.1	-76.5	169.8	166.4	163.1	0	111.9	E1371 E1372 H1377 I1378 Q1379	E1371-K1375 HydrophobicContact CG-CD 4.43Å; E1371-K1375 PolarHBondContact O-N 2.92Å; E1371-K1375 WeakPolarHBondContact OE1-CE 3.34Å; E1371-K1375 IonicContact OE1-NZ 2.66Å; E1371-K1375 PolarHBondContact OE1-NZ 2.85Å; E1372-K1375 PolarHBondContact O-N 3.35Å; K1375-H1377 VanDerWaalsContact C-N 3.29Å; K1375-H1377 PolarHBondContact O-N 3.39Å; K1375-I1378 PolarHBondContact O-N 2.71Å; K1375-Q1379 WeakPolarHBondContact O-CG 3.28Å; K1375-Q1379 PolarHBondContact O-N 3.09Å
1376	F	78.1	Confident	69.1	Low	111 Å²	111	71 Å²	71	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-60.9	-37.2	174.7	-179.6	-99.3	0	0	0	112.2	E1372 Q1379 T1380	E1372-F1376 WeakPolarHBondContact O-CB 3.26Å; E1372-F1376 PolarHBondContact O-N 2.7Å; F1376-Q1379 PolarHBondContact O-N 2.96Å; F1376-T1380 HydrophobicContact CD1-CG2 4.35Å; F1376-T1380 HydrophobicContact CD2-CG2 4.3Å; F1376-T1380 HydrophobicContact CE1-CG2 3.95Å; F1376-T1380 HydrophobicContact CE2-CG2 3.9Å; F1376-T1380 HydrophobicContact CZ-CG2 3.72Å; F1376-T1380 WeakPolarHBondContact O-CB 3.36Å; F1376-T1380 WeakPolarHBondContact O-CG2 3.3Å; F1376-T1380 PolarHBondContact O-N 3.09Å; F1376-T1380 PolarHBondContact O-OG1 2.66Å
1377	H	81.5	Confident	68.7	Low	9 Å²	9	72 Å²	72	4%	0.042	37%	0.365	C	S	.	.	H	α-helix	trans	-67.9	-39.9	174.8	164.1	75.9	0	0	0	112.9	C1361 C1364 S1366 F1368 K1373 V1374 K1375 T1380 V1381 H1382	C1361-H1377 VanDerWaalsContact CB-CD2 3.46Å; C1361-H1377 WeakPolarHBondContact CB-CD2 3.44Å; C1361-H1377 PolarHBondContact SG-CD2 3.29Å; C1361-H1377 PolarHBondContact SG-NE2 3.47Å; C1361-H1377 VanDerWaalsContact SG-NE2 3.38Å; C1364-H1377 PolarHBondContact SG-CE1 2.69Å; C1364-H1377 PolarHBondContact SG-NE2 3.2Å; S1366-H1377 PolarHBondContact OG-CE1 3.08Å; F1368-H1377 HydrophobicContact CE1-CB 3.95Å; F1368-H1377 HydrophobicContact CE2-CB 3.83Å; F1368-H1377 AromaticContact CE2-CD2 3.51Å; F1368-H1377 AromaticContact CE2-CG 3.59Å; F1368-H1377 HydrophobicContact CZ-CB 3.37Å; F1368-H1377 AromaticContact CZ-CD2 3.64Å; F1368-H1377 AromaticContact CZ-CG 3.22Å; F1368-H1377 AromaticContact CZ-ND1 3.59Å; K1373-H1377 WeakPolarHBondContact O-CB 3.41Å; K1373-H1377 PolarHBondContact O-N 3.1Å; V1374-H1377 CarbonylContact O-C 2.94Å; V1374-H1377 WeakPolarHBondContact O-CB 3.15Å; V1374-H1377 PolarHBondContact O-N 3.31Å; V1374-H1377 VanDerWaalsContact O-N 3.15Å; K1375-H1377 VanDerWaalsContact C-N 3.29Å; K1375-H1377 PolarHBondContact O-N 3.39Å; H1377-T1380 PolarHBondContact O-N 3.45Å; H1377-V1381 VanDerWaalsContact ND1-CG2 3.33Å; H1377-V1381 WeakPolarHBondContact ND1-CG2 3.01Å; H1377-V1381 WeakPolarHBondContact O-CB 3.45Å; H1377-V1381 PolarHBondContact O-N 3.22Å; H1377-H1382 AromaticContact NE2-CD2 3.83Å; H1377-H1382 AromaticContact NE2-NE2 3.69Å
1378	I	80.8	Confident	67.8	Low	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-59.5	-51.6	172	-65.6	165.2	0	0	0	108.6	P1362 V1374 K1375 T1380 H1382 P1387	P1362-I1378 HydrophobicContact CG-CD1 4.26Å; V1374-I1378 HydrophobicContact CG1-CD1 4.28Å; V1374-I1378 WeakPolarHBondContact O-CG1 3.27Å; V1374-I1378 PolarHBondContact O-N 3.27Å; K1375-I1378 PolarHBondContact O-N 2.71Å; I1378-T1380 PolarHBondContact O-N 2.59Å; I1378-T1380 VanDerWaalsContact O-N 3.15Å; I1378-H1382 HydrophobicContact CG2-CB 4.24Å; I1378-H1382 CarbonylContact O-C 3.58Å; I1378-H1382 WeakPolarHBondContact O-CA 3.48Å; I1378-H1382 WeakPolarHBondContact O-CB 3.31Å; I1378-H1382 PolarHBondContact O-N 2.71Å; I1378-P1387 HydrophobicContact CG2-CB 4.49Å
1379	Q	77.3	Confident	66.6	Low	111 Å²	111	76.9 Å²	76.9	52%	0.519	39%	0.391	S	S	.	.	H	α-helix	trans	-58.8	-28.5	178.5	-69.8	171.8	-14	0	0	114.6	K1375 F1376	K1375-Q1379 WeakPolarHBondContact O-CG 3.28Å; K1375-Q1379 PolarHBondContact O-N 3.09Å; F1376-Q1379 PolarHBondContact O-N 2.96Å
1380	T	73.3	Confident	66.1	Low	73 Å²	73	72.7 Å²	72.7	45%	0.448	38%	0.377	S	S	.	.	H	α-helix	trans	-106.3	-22.1	-174.4	54.5	0	0	0	0	115.8	F1376 H1377 I1378	F1376-T1380 HydrophobicContact CD1-CG2 4.35Å; F1376-T1380 HydrophobicContact CD2-CG2 4.3Å; F1376-T1380 HydrophobicContact CE1-CG2 3.95Å; F1376-T1380 HydrophobicContact CE2-CG2 3.9Å; F1376-T1380 HydrophobicContact CZ-CG2 3.72Å; F1376-T1380 WeakPolarHBondContact O-CB 3.36Å; F1376-T1380 WeakPolarHBondContact O-CG2 3.3Å; F1376-T1380 PolarHBondContact O-N 3.09Å; F1376-T1380 PolarHBondContact O-OG1 2.66Å; H1377-T1380 PolarHBondContact O-N 3.45Å; I1378-T1380 PolarHBondContact O-N 2.59Å; I1378-T1380 VanDerWaalsContact O-N 3.15Å
1381	V	73.3	Confident	64.8	Low	82 Å²	82	78.2 Å²	78.2	50%	0.497	41%	0.405	S	S	.	.	H	α-helix	trans	-113.3	-22.8	179.4	-177	0	0	0	0	111.9	H1377 P1383	H1377-V1381 VanDerWaalsContact ND1-CG2 3.33Å; H1377-V1381 WeakPolarHBondContact ND1-CG2 3.01Å; H1377-V1381 WeakPolarHBondContact O-CB 3.45Å; H1377-V1381 PolarHBondContact O-N 3.22Å; V1381-P1383 WeakPolarHBondContact O-CD 3.18Å
1382	H	77.1	Confident	63.4	Low	34 Å²	34	80.3 Å²	80.3	16%	0.157	41%	0.413	C	S	.	.	S	Bend	trans	-121.8	50.8	174.4	-57.2	-77.4	0	0	0	111.4	H1363 C1364 H1377 I1378 N1384 V1385	H1363-H1382 HydrophobicContact CB-CB 4.32Å; H1363-H1382 WeakPolarHBondContact CB-ND1 3.43Å; H1363-H1382 PolarHBondContact O-CE1 3.3Å; C1364-H1382 WeakPolarHBondContact CB-NE2 3.39Å; C1364-H1382 PolarHBondContact SG-NE2 3.07Å; C1364-H1382 VanDerWaalsContact SG-NE2 3.4Å; H1377-H1382 AromaticContact NE2-CD2 3.83Å; H1377-H1382 AromaticContact NE2-NE2 3.69Å; I1378-H1382 HydrophobicContact CG2-CB 4.24Å; I1378-H1382 CarbonylContact O-C 3.58Å; I1378-H1382 WeakPolarHBondContact O-CA 3.48Å; I1378-H1382 WeakPolarHBondContact O-CB 3.31Å; I1378-H1382 PolarHBondContact O-N 2.71Å; H1382-N1384 PolarHBondContact O-N 3.19Å; H1382-V1385 HydrophobicContact CB-CB 4.26Å; H1382-V1385 HydrophobicContact CB-CG2 4.18Å; H1382-V1385 PolarHBondContact O-N 3.24Å
1383	P	56.5	Low	61.7	Low	91 Å²	91	78.9 Å²	78.9	59%	0.591	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-11.6	-168.8	28.8	-38.4	0	0	0	115.2	V1381	V1381-P1383 WeakPolarHBondContact O-CD 3.18Å
1384	N	59.3	Low	60	Low	160 Å²	160	78.5 Å²	78.5	86%	0.856	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	14.3	174.9	-63.2	7.6	0	0	0	112.4	H1382	H1382-N1384 PolarHBondContact O-N 3.19Å
1385	V	57.4	Low	58.4	Low	52 Å²	52	81.3 Å²	81.3	32%	0.315	42%	0.42	S	S	.	.	S	Bend	trans	-127.8	124	178.2	-168.7	0	0	0	0	108.8	H1363 H1382	H1363-V1385 WeakPolarHBondContact NE2-CG1 3.43Å; H1382-V1385 HydrophobicContact CB-CB 4.26Å; H1382-V1385 HydrophobicContact CB-CG2 4.18Å; H1382-V1385 PolarHBondContact O-N 3.24Å
1386	P	51.8	Low	56.9	Low	95 Å²	95	81.7 Å²	81.7	62%	0.617	43%	0.425	S	S	*	.			trans	-66.3	149.4	178.2	27.7	-34.1	0	0	0	111.3	Q1388	P1386-Q1388 PolarHBondContact O-N 3.49Å
1387	P	49.1	Very low	55.7	Low	65 Å²	65	77.7 Å²	77.7	42%	0.422	41%	0.41	S	S	.	.			trans	-74.8	87.8	-173.9	30.8	-35.7	0	0	0	112.3	I1378	I1378-P1387 HydrophobicContact CG2-CB 4.49Å
1388	Q	46.5	Very low	54.7	Low	65 Å²	65	81.1 Å²	81.1	30%	0.304	42%	0.424	S	S	.	.			trans	-61.9	145.1	169.7	-69.8	-175.2	-25.8	0	0	111.5	P1386	P1386-Q1388 PolarHBondContact O-N 3.49Å
1389	K	46.6	Very low	53.8	Low	179 Å²	179	82.9 Å²	82.9	78%	0.778	43%	0.432	S	S	*	.			trans	-59.2	135.8	170.8	-71.8	-175.1	178.3	-178.7	0	109.5	L1391	K1389-L1391 PolarHBondContact O-N 3.08Å; K1389-L1391 VanDerWaalsContact O-N 3.1Å
1390	V	45.6	Very low	52.7	Low	18 Å²	18	80.5 Å²	80.5	11%	0.109	42%	0.423	C	S	.	.			trans	-86.5	84.2	-175.4	-176.2	0	0	0	0	109	R1360 V1374 F1392	R1360-V1390 WeakPolarHBondContact O-CG1 3.32Å; V1374-V1390 HydrophobicContact CB-CG2 4.18Å; V1374-V1390 HydrophobicContact CG1-CG2 3.8Å; V1390-F1392 PolarHBondContact O-N 3.35Å
1391	L	36.9	Very low	52.4	Low	158 Å²	158	77.1 Å²	77.1	83%	0.827	40%	0.402	S	S	*	.			trans	-58.8	103.5	177.8	-68.9	174.4	0	0	0	110.8	K1389	K1389-L1391 PolarHBondContact O-N 3.08Å; K1389-L1391 VanDerWaalsContact O-N 3.1Å
1392	F	37.8	Very low	52.3	Low	69 Å²	69	74 Å²	74	30%	0.303	38%	0.383	S	S	.	.			trans	-103.7	144.7	178.3	-142.3	-114.6	0	0	0	108.8	M1358 V1390 E1394 V1397	M1358-F1392 WeakPolarHBondContact O-CZ 3.27Å; V1390-F1392 PolarHBondContact O-N 3.35Å; F1392-E1394 HydrophobicContact CB-CG 4.48Å; F1392-E1394 PolarHBondContact O-N 2.8Å; F1392-E1394 VanDerWaalsContact O-N 3.12Å; F1392-V1397 HydrophobicContact CE1-CG2 4.11Å
1393	Q	34.6	Very low	51.8	Low	111 Å²	111	78.9 Å²	78.9	52%	0.519	40%	0.4	S	S	.	.			trans	-80.8	91	169.6	-72.3	173.4	-78.5	0	0	107.3
1394	E	41.1	Very low	52.1	Low	97 Å²	97	75.3 Å²	75.3	45%	0.453	38%	0.377	S	S	.	.			trans	-70.6	-39.7	-168.6	-63.2	-164.9	167.7	0	0	113.7	F1392 D1396 V1397 K1398	F1392-E1394 HydrophobicContact CB-CG 4.48Å; F1392-E1394 PolarHBondContact O-N 2.8Å; F1392-E1394 VanDerWaalsContact O-N 3.12Å; E1394-D1396 PolarHBondContact O-N 2.85Å; E1394-V1397 PolarHBondContact O-N 3.17Å; E1394-K1398 HydrophobicContact CB-CD 4.23Å; E1394-K1398 PolarHBondContact O-N 3.02Å; E1394-K1398 WeakPolarHBondContact OE2-CE 3.13Å; E1394-K1398 IonicContact OE2-NZ 3.35Å; E1394-K1398 PolarHBondContact OE2-NZ 2.85Å
1395	E	44.5	Very low	52.7	Low	59 Å²	59	67.8 Å²	67.8	28%	0.276	34%	0.337	S	S	.	.	H	α-helix	trans	-56.5	-49.7	-170.3	-75.9	-160.6	-134.3	0	0	114	V1397 K1398 K1399 S1634 S1637	E1395-V1397 PolarHBondContact O-N 3.1Å; E1395-V1397 VanDerWaalsContact O-N 3.14Å; E1395-K1398 PolarHBondContact O-N 3.22Å; E1395-K1399 WeakPolarHBondContact O-CB 3.26Å; E1395-K1399 WeakPolarHBondContact O-CG 3.24Å; E1395-K1399 PolarHBondContact O-N 2.77Å; E1395-K1399 WeakPolarHBondContact OE2-CE 3.19Å; E1395-K1399 IonicContact OE2-NZ 3.06Å; E1395-K1399 PolarHBondContact OE2-NZ 3.04Å; E1395-S1634 PolarHBondContact OE1-OG 3.47Å; E1395-S1634 WeakPolarHBondContact OE2-CB 3.48Å; E1395-S1634 PolarHBondContact OE2-OG 3.39Å; E1395-S1637 PolarHBondContact OE1-OG 3.04Å
1396	D	46.6	Very low	53.4	Low	76 Å²	76	68 Å²	68	41%	0.406	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-19.2	-179.8	-71.8	-22.7	0	0	0	113.6	E1394 L1400	E1394-D1396 PolarHBondContact O-N 2.85Å; D1396-L1400 VanDerWaalsContact O-CB 3.31Å; D1396-L1400 WeakPolarHBondContact O-CB 3.06Å
1397	V	51.9	Low	54	Low	27 Å²	27	70.9 Å²	70.9	16%	0.164	33%	0.332	C	S	.	.	H	α-helix	trans	-95.7	-40	177.8	-176.1	0	0	0	0	110.2	K1357 F1392 E1394 E1395 L1400 V1401	K1357-V1397 HydrophobicContact CB-CG2 4.4Å; K1357-V1397 HydrophobicContact CD-CG2 3.9Å; F1392-V1397 HydrophobicContact CE1-CG2 4.11Å; E1394-V1397 PolarHBondContact O-N 3.17Å; E1395-V1397 PolarHBondContact O-N 3.1Å; E1395-V1397 VanDerWaalsContact O-N 3.14Å; V1397-L1400 PolarHBondContact O-N 2.99Å; V1397-V1401 WeakPolarHBondContact O-CB 3.31Å; V1397-V1401 VanDerWaalsContact O-CG2 3.31Å; V1397-V1401 WeakPolarHBondContact O-CG2 3.33Å; V1397-V1401 PolarHBondContact O-N 3.19Å
1398	K	60.5	Low	54.8	Low	81 Å²	81	67.8 Å²	67.8	35%	0.352	31%	0.312	S	S	.	.	H	α-helix	trans	-56.8	-62.7	170.5	-78.4	174.6	167.4	166.8	0	110.2	E1394 E1395 L1400 V1401 L1402	E1394-K1398 HydrophobicContact CB-CD 4.23Å; E1394-K1398 PolarHBondContact O-N 3.02Å; E1394-K1398 WeakPolarHBondContact OE2-CE 3.13Å; E1394-K1398 IonicContact OE2-NZ 3.35Å; E1394-K1398 PolarHBondContact OE2-NZ 2.85Å; E1395-K1398 PolarHBondContact O-N 3.22Å; K1398-L1400 PolarHBondContact O-N 2.8Å; K1398-V1401 CarbonylContact O-C 3.52Å; K1398-V1401 VanDerWaalsContact O-CA 3.31Å; K1398-V1401 WeakPolarHBondContact O-CA 3.47Å; K1398-V1401 VanDerWaalsContact O-CB 3.23Å; K1398-V1401 WeakPolarHBondContact O-CB 3.31Å; K1398-V1401 PolarHBondContact O-N 3.41Å; K1398-L1402 VanDerWaalsContact O-CG 3.26Å; K1398-L1402 WeakPolarHBondContact O-CG 3.29Å; K1398-L1402 PolarHBondContact O-N 3.28Å
1399	K	62	Low	56.1	Low	38 Å²	38	64.9 Å²	64.9	17%	0.165	30%	0.298	C	S	.	.	H	α-helix	trans	-53.9	-32.2	-179	-65	174.3	-167.7	175.8	0	113.9	E1395 Y1403 A1632 S1634	E1395-K1399 WeakPolarHBondContact O-CB 3.26Å; E1395-K1399 WeakPolarHBondContact O-CG 3.24Å; E1395-K1399 PolarHBondContact O-N 2.77Å; E1395-K1399 WeakPolarHBondContact OE2-CE 3.19Å; E1395-K1399 IonicContact OE2-NZ 3.06Å; E1395-K1399 PolarHBondContact OE2-NZ 3.04Å; K1399-Y1403 PolarHBondContact O-N 3.26Å; K1399-Y1403 VanDerWaalsContact O-N 3.09Å; K1399-A1632 HydrophobicContact CD-CB 4.44Å; K1399-A1632 WeakPolarHBondContact CD-O 3.16Å; K1399-A1632 PolarHBondContact NZ-O 3.15Å; K1399-S1634 VanDerWaalsContact NZ-N 3.16Å
1400	L	55.1	Low	56.5	Low	60 Å²	60	58.2 Å²	58.2	31%	0.314	27%	0.273	S	S	.	.	H	α-helix	trans	-78.3	-33.2	176.6	-166.9	68.5	0	0	0	112.9	L1355 D1396 V1397 K1398 V1404	L1355-L1400 VanDerWaalsContact CD1-C 3.41Å; L1355-L1400 HydrophobicContact CD1-CB 4.33Å; L1355-L1400 HydrophobicContact CD1-CD2 4.49Å; L1355-L1400 HydrophobicContact CD1-CG 4.04Å; L1355-L1400 VanDerWaalsContact CD1-O 3.23Å; L1355-L1400 WeakPolarHBondContact CD1-O 3.23Å; L1355-L1400 HydrophobicContact CD2-CD1 4.34Å; L1355-L1400 HydrophobicContact CD2-CD2 3.85Å; L1355-L1400 HydrophobicContact CD2-CG 3.63Å; L1355-L1400 HydrophobicContact CG-CG 4.38Å; D1396-L1400 VanDerWaalsContact O-CB 3.31Å; D1396-L1400 WeakPolarHBondContact O-CB 3.06Å; V1397-L1400 PolarHBondContact O-N 2.99Å; K1398-L1400 PolarHBondContact O-N 2.8Å; L1400-V1404 PolarHBondContact O-N 2.84Å
1401	V	67.5	Low	56.9	Low	2 Å²	2	62.2 Å²	62.2	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-52.1	165.4	161.1	0	0	0	0	108.9	E1348 V1351 R1352 L1355 V1397 K1398 Y1403 V1404 R1405	E1348-V1401 HydrophobicContact CG-CG1 3.94Å; V1351-V1401 HydrophobicContact CB-CG1 4.39Å; V1351-V1401 HydrophobicContact CG1-CB 3.97Å; V1351-V1401 HydrophobicContact CG1-CG1 3.58Å; V1351-V1401 HydrophobicContact CG1-CG2 4.25Å; V1351-V1401 WeakPolarHBondContact CG1-O 3.39Å; R1352-V1401 HydrophobicContact CG-CG2 3.67Å; L1355-V1401 VanDerWaalsContact CD1-CA 3.48Å; L1355-V1401 HydrophobicContact CD1-CB 4.24Å; L1355-V1401 HydrophobicContact CD1-CG2 3.69Å; V1397-V1401 WeakPolarHBondContact O-CB 3.31Å; V1397-V1401 VanDerWaalsContact O-CG2 3.31Å; V1397-V1401 WeakPolarHBondContact O-CG2 3.33Å; V1397-V1401 PolarHBondContact O-N 3.19Å; K1398-V1401 CarbonylContact O-C 3.52Å; K1398-V1401 VanDerWaalsContact O-CA 3.31Å; K1398-V1401 WeakPolarHBondContact O-CA 3.47Å; K1398-V1401 VanDerWaalsContact O-CB 3.23Å; K1398-V1401 WeakPolarHBondContact O-CB 3.31Å; K1398-V1401 PolarHBondContact O-N 3.41Å; V1401-Y1403 PolarHBondContact O-N 3.34Å; V1401-V1404 CarbonylContact O-C 3.59Å; V1401-V1404 PolarHBondContact O-N 3.35Å; V1401-R1405 PolarHBondContact O-N 3.35Å
1402	L	69.4	Low	57.9	Low	18 Å²	18	54.8 Å²	54.8	9%	0.094	25%	0.252	C	S	.	.	H	α-helix	trans	-53.6	-55.1	179.7	-48.2	-169.7	0	0	0	111.6	K1398 V1404 R1405 K1406 E2040 D2041	K1398-L1402 VanDerWaalsContact O-CG 3.26Å; K1398-L1402 WeakPolarHBondContact O-CG 3.29Å; K1398-L1402 PolarHBondContact O-N 3.28Å; L1402-V1404 PolarHBondContact O-N 3.41Å; L1402-R1405 WeakPolarHBondContact O-CA 3.39Å; L1402-R1405 WeakPolarHBondContact O-CB 3.24Å; L1402-R1405 PolarHBondContact O-N 3.09Å; L1402-K1406 PolarHBondContact O-N 3.29Å; L1402-K1406 VanDerWaalsContact O-N 3.08Å; L1402-E2040 WeakPolarHBondContact CA-OE2 3.49Å; L1402-E2040 HydrophobicContact CB-CB 3.9Å; L1402-E2040 WeakPolarHBondContact CB-OE2 3.41Å; L1402-E2040 HydrophobicContact CD1-CB 3.67Å; L1402-E2040 WeakPolarHBondContact CD1-O 3.46Å; L1402-E2040 HydrophobicContact CD2-CB 3.71Å; L1402-E2040 WeakPolarHBondContact CD2-O 2.98Å; L1402-E2040 HydrophobicContact CG-CB 3.84Å; L1402-D2041 HydrophobicContact CD2-CB 4.29Å; L1402-D2041 WeakPolarHBondContact CD2-O 3.47Å
1403	Y	66.6	Low	58.2	Low	135 Å²	135	54.1 Å²	54.1	53%	0.529	25%	0.249	S	C	.	.	H	α-helix	trans	-51.6	-36.6	176.8	176.9	-97.8	0	0	0	114.5	K1399 V1401 R1407	K1399-Y1403 PolarHBondContact O-N 3.26Å; K1399-Y1403 VanDerWaalsContact O-N 3.09Å; V1401-Y1403 PolarHBondContact O-N 3.34Å; Y1403-R1407 WeakPolarHBondContact O-CB 3.1Å; Y1403-R1407 PolarHBondContact OH-NH1 3.33Å
1404	V	64.2	Low	58.5	Low	17 Å²	17	53.6 Å²	53.6	10%	0.103	26%	0.258	C	S	.	.	H	α-helix	trans	-80.5	-31.1	175.6	167.3	0	0	0	0	112.1	V1351 H1354 L1355 L1400 V1401 L1402 R1407 C1408	V1351-V1404 HydrophobicContact CB-CG1 4.39Å; V1351-V1404 HydrophobicContact CG1-CB 3.89Å; V1351-V1404 HydrophobicContact CG1-CG1 3.8Å; V1351-V1404 HydrophobicContact CG2-CG1 4.43Å; H1354-V1404 HydrophobicContact CB-CG1 3.87Å; L1355-V1404 HydrophobicContact CD1-CB 4.43Å; L1355-V1404 HydrophobicContact CD1-CG2 4.35Å; L1355-V1404 HydrophobicContact CD2-CB 4.44Å; L1355-V1404 HydrophobicContact CD2-CG2 3.53Å; L1355-V1404 HydrophobicContact CG-CG2 4.11Å; L1400-V1404 PolarHBondContact O-N 2.84Å; V1401-V1404 CarbonylContact O-C 3.59Å; V1401-V1404 PolarHBondContact O-N 3.35Å; L1402-V1404 PolarHBondContact O-N 3.41Å; V1404-R1407 PolarHBondContact O-N 2.85Å; V1404-C1408 VanDerWaalsContact CG1-SG 3.54Å; V1404-C1408 WeakPolarHBondContact O-CB 3.44Å; V1404-C1408 PolarHBondContact O-N 2.95Å; V1404-C1408 PolarHBondContact O-SG 3.21Å
1405	R	70.9	Confident	58.3	Low	1 Å²	1	51.5 Å²	51.5	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-57.6	177.3	-173.6	172.4	159.8	118	-2.8	110.9	V1347 V1351 V1401 L1402 R1407 C1408 F1409 E2040 D2041 E2042	V1347-R1405 HydrophobicContact CG1-CG 3.89Å; V1347-R1405 VanDerWaalsContact CG1-NH1 3.29Å; V1351-R1405 HydrophobicContact CG1-CB 4.26Å; V1351-R1405 HydrophobicContact CG2-CB 3.95Å; V1351-R1405 HydrophobicContact CG2-CG 4.3Å; V1401-R1405 PolarHBondContact O-N 3.35Å; L1402-R1405 WeakPolarHBondContact O-CA 3.39Å; L1402-R1405 WeakPolarHBondContact O-CB 3.24Å; L1402-R1405 PolarHBondContact O-N 3.09Å; R1405-R1407 PolarHBondContact O-N 2.87Å; R1405-C1408 PolarHBondContact O-N 3.15Å; R1405-F1409 PolarHBondContact O-N 2.88Å; R1405-E2040 WeakPolarHBondContact CB-OE1 3.19Å; R1405-E2040 WeakPolarHBondContact CD-OE1 3.34Å; R1405-E2040 WeakPolarHBondContact CG-OE1 3.24Å; R1405-E2040 IonicContact NE-OE1 2.66Å; R1405-E2040 PolarHBondContact NE-OE1 3.45Å; R1405-E2040 VanDerWaalsContact NE-OE1 3.13Å; R1405-D2041 IonicContact CZ-OD1 3.45Å; R1405-D2041 IonicContact CZ-OD2 2.91Å; R1405-D2041 IonicContact NE-OD2 3.26Å; R1405-D2041 PolarHBondContact NE-OD2 2.95Å; R1405-D2041 VanDerWaalsContact NE-OD2 3.09Å; R1405-D2041 IonicContact NH1-OD1 3.33Å; R1405-D2041 IonicContact NH2-OD1 3.49Å; R1405-D2041 PolarHBondContact NH2-OD1 3.48Å; R1405-D2041 IonicContact NH2-OD2 2.77Å; R1405-D2041 PolarHBondContact NH2-OD2 3.32Å; R1405-E2042 IonicContact CZ-OE1 2.67Å; R1405-E2042 IonicContact NH1-OE1 2.86Å; R1405-E2042 PolarHBondContact NH1-OE1 3.35Å
1406	K	73.2	Confident	57.6	Low	58 Å²	58	54.5 Å²	54.5	25%	0.252	26%	0.263	S	S	.	.	H	α-helix	trans	-48.7	-45.9	172.4	-54.8	-148.1	176.4	-130.9	0	112.6	L1402 C1408 P1410 E1413 D2038 E2040	L1402-K1406 PolarHBondContact O-N 3.29Å; L1402-K1406 VanDerWaalsContact O-N 3.08Å; K1406-C1408 PolarHBondContact O-N 3.29Å; K1406-P1410 WeakPolarHBondContact O-CD 3.34Å; K1406-E1413 WeakPolarHBondContact CD-OE1 3.36Å; K1406-E1413 WeakPolarHBondContact CD-OE2 3.25Å; K1406-E1413 WeakPolarHBondContact CE-OE1 3.4Å; K1406-E1413 VanDerWaalsContact CG-OE2 3.3Å; K1406-E1413 WeakPolarHBondContact CG-OE2 3.45Å; K1406-E1413 IonicContact NZ-OE1 2.66Å; K1406-E1413 PolarHBondContact NZ-OE1 2.99Å; K1406-E1413 IonicContact NZ-OE2 3.27Å; K1406-D2038 IonicContact NZ-OD1 2.68Å; K1406-D2038 PolarHBondContact NZ-OD1 2.88Å; K1406-D2038 IonicContact NZ-OD2 3.91Å; K1406-D2038 PolarHBondContact NZ-OD2 3.27Å; K1406-E2040 WeakPolarHBondContact CG-OE2 3.32Å
1407	R	64.1	Low	56.6	Low	155 Å²	155	55.1 Å²	55.1	59%	0.585	28%	0.279	S	S	*	.	H	α-helix	trans	-71.6	-26.4	-179.1	-170.4	170	-176	147.3	7.9	114.3	Y1403 V1404 R1405	Y1403-R1407 WeakPolarHBondContact O-CB 3.1Å; Y1403-R1407 PolarHBondContact OH-NH1 3.33Å; V1404-R1407 PolarHBondContact O-N 2.85Å; R1405-R1407 PolarHBondContact O-N 2.87Å
1408	C	65.5	Low	55.4	Low	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-87.3	-35	177.8	-74	0	0	0	0	112.6	C1335 R1336 M1337 H1354 V1404 R1405 K1406	C1335-C1408 CarbonylContact C-O 3.53Å; C1335-C1408 VanDerWaalsContact SG-CB 3.58Å; R1336-C1408 WeakPolarHBondContact CB-O 3.41Å; R1336-C1408 PolarHBondContact N-O 3.14Å; M1337-C1408 VanDerWaalsContact CG-SG 3.54Å; H1354-C1408 PolarHBondContact NE2-SG 3.23Å; V1404-C1408 VanDerWaalsContact CG1-SG 3.54Å; V1404-C1408 WeakPolarHBondContact O-CB 3.44Å; V1404-C1408 PolarHBondContact O-N 2.95Å; V1404-C1408 PolarHBondContact O-SG 3.21Å; R1405-C1408 PolarHBondContact O-N 3.15Å; K1406-C1408 PolarHBondContact O-N 3.29Å
1409	F	73.8	Confident	53.6	Low	4 Å²	4	63.9 Å²	63.9	2%	0.018	32%	0.323	C	S	.	.			trans	-143.7	60.7	-165.4	-55	-86.4	0	0	0	112.2	C1335 M1342 V1347 H1350 V1351 R1405 E1411 V1412	C1335-F1409 VanDerWaalsContact CA-CE1 3.43Å; C1335-F1409 HydrophobicContact CB-CD1 4.41Å; C1335-F1409 HydrophobicContact CB-CE1 3.61Å; C1335-F1409 HydrophobicContact CB-CE2 4.16Å; C1335-F1409 HydrophobicContact CB-CZ 3.47Å; C1335-F1409 VanDerWaalsContact CB-CZ 3.47Å; M1342-F1409 HydrophobicContact CG-CZ 4.46Å; M1342-F1409 HydrophobicContact SD-CZ 4.14Å; V1347-F1409 HydrophobicContact CB-CE2 4.49Å; V1347-F1409 HydrophobicContact CG1-CD2 3.74Å; V1347-F1409 HydrophobicContact CG1-CE2 3.7Å; V1347-F1409 HydrophobicContact CG1-CG 4.5Å; V1347-F1409 HydrophobicContact CG1-CZ 4.38Å; V1347-F1409 HydrophobicContact CG2-CE2 4.4Å; V1347-F1409 HydrophobicContact CG2-CZ 4.29Å; H1350-F1409 AromaticContact CD2-CZ 3.98Å; V1351-F1409 HydrophobicContact CG2-CD2 4.32Å; V1351-F1409 HydrophobicContact CG2-CE2 3.96Å; R1405-F1409 PolarHBondContact O-N 2.88Å; F1409-E1411 PolarHBondContact O-N 2.92Å; F1409-E1411 VanDerWaalsContact O-N 3.11Å; F1409-V1412 HydrophobicContact CB-CB 3.85Å; F1409-V1412 HydrophobicContact CB-CG2 3.57Å; F1409-V1412 HydrophobicContact CD1-CG2 4.24Å; F1409-V1412 HydrophobicContact CG-CG2 4.12Å; F1409-V1412 WeakPolarHBondContact O-CB 3.45Å; F1409-V1412 PolarHBondContact O-N 3.45Å
1410	P	54.8	Low	51.7	Low	39 Å²	39	72.3 Å²	72.3	25%	0.253	36%	0.356	S	S	.	.	H	α-helix	trans	-59.3	-26.9	177	26	-34.6	0	0	0	112.3	R1336 K1406 V1412 E1413 S1414	R1336-P1410 VanDerWaalsContact CZ-CG 3.47Å; K1406-P1410 WeakPolarHBondContact O-CD 3.34Å; P1410-V1412 VanDerWaalsContact C-N 3.3Å; P1410-V1412 PolarHBondContact O-N 3.04Å; P1410-E1413 PolarHBondContact O-N 2.75Å; P1410-S1414 PolarHBondContact O-N 2.9Å; P1410-S1414 PolarHBondContact O-OG 3.03Å
1411	E	53.2	Low	50.2	Low	102 Å²	102	74.4 Å²	74.4	48%	0.477	37%	0.367	S	S	.	.	H	α-helix	trans	-68	-21.9	174.3	-68.9	151.9	-120	0	0	113.9	R1336 F1409 S1415	R1336-E1411 IonicContact CZ-OE1 3.11Å; R1336-E1411 VanDerWaalsContact CZ-OE1 3.26Å; R1336-E1411 IonicContact NE-OE1 3.36Å; R1336-E1411 PolarHBondContact NE-OE1 2.82Å; R1336-E1411 IonicContact NH2-OE1 2.8Å; R1336-E1411 PolarHBondContact NH2-OE1 2.99Å; F1409-E1411 PolarHBondContact O-N 2.92Å; F1409-E1411 VanDerWaalsContact O-N 3.11Å; E1411-S1415 WeakPolarHBondContact O-CB 3.49Å; E1411-S1415 PolarHBondContact O-N 2.93Å; E1411-S1415 PolarHBondContact O-OG 3.42Å
1412	V	58.3	Low	48.1	Very low	1 Å²	1	79.2 Å²	79.2	1%	0.006	39%	0.389	C	S	.	.	H	α-helix	trans	-72.6	-32.3	177.4	163.3	0	0	0	0	111.7	Y1333 L1344 F1409 P1410	Y1333-V1412 HydrophobicContact CD1-CB 4.4Å; Y1333-V1412 HydrophobicContact CD1-CG2 3.26Å; Y1333-V1412 HydrophobicContact CD2-CG2 3.87Å; Y1333-V1412 HydrophobicContact CE1-CB 4.44Å; Y1333-V1412 HydrophobicContact CE1-CG2 3.65Å; Y1333-V1412 HydrophobicContact CE2-CG2 4.22Å; Y1333-V1412 HydrophobicContact CG-CG2 3.37Å; L1344-V1412 HydrophobicContact CD1-CG1 3.76Å; F1409-V1412 HydrophobicContact CB-CB 3.85Å; F1409-V1412 HydrophobicContact CB-CG2 3.57Å; F1409-V1412 HydrophobicContact CD1-CG2 4.24Å; F1409-V1412 HydrophobicContact CG-CG2 4.12Å; F1409-V1412 WeakPolarHBondContact O-CB 3.45Å; F1409-V1412 PolarHBondContact O-N 3.45Å; P1410-V1412 VanDerWaalsContact C-N 3.3Å; P1410-V1412 PolarHBondContact O-N 3.04Å
1413	E	43.8	Very low	45.8	Very low	55 Å²	55	82 Å²	82	26%	0.257	41%	0.411	S	S	.	.	H	α-helix	trans	-74.7	-48.6	176.9	-63.9	180	100.4	0	0	109.7	K1406 P1410 S1415 R1416	K1406-E1413 WeakPolarHBondContact CD-OE1 3.36Å; K1406-E1413 WeakPolarHBondContact CD-OE2 3.25Å; K1406-E1413 WeakPolarHBondContact CE-OE1 3.4Å; K1406-E1413 VanDerWaalsContact CG-OE2 3.3Å; K1406-E1413 WeakPolarHBondContact CG-OE2 3.45Å; K1406-E1413 IonicContact NZ-OE1 2.66Å; K1406-E1413 PolarHBondContact NZ-OE1 2.99Å; K1406-E1413 IonicContact NZ-OE2 3.27Å; P1410-E1413 PolarHBondContact O-N 2.75Å; E1413-S1415 VanDerWaalsContact C-N 3.25Å; E1413-S1415 PolarHBondContact O-N 2.67Å; E1413-R1416 PolarHBondContact O-N 3.26Å; E1413-R1416 VanDerWaalsContact O-N 3.07Å
1414	S	41	Very low	43.7	Very low	100 Å²	100	80.2 Å²	80.2	70%	0.699	41%	0.41	S	S	*	.	H	α-helix	trans	-59.4	-29.9	178	-50.7	0	0	0	0	114.3	P1410	P1410-S1414 PolarHBondContact O-N 2.9Å; P1410-S1414 PolarHBondContact O-OG 3.03Å
1415	S	36.7	Very low	41.7	Very low	53 Å²	53	82.9 Å²	82.9	37%	0.371	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-1.6	178.5	71.2	0	0	0	0	114.7	Y1333 E1411 E1413	Y1333-S1415 WeakPolarHBondContact CE1-OG 3.31Å; Y1333-S1415 PolarHBondContact OH-OG 3.26Å; E1411-S1415 WeakPolarHBondContact O-CB 3.49Å; E1411-S1415 PolarHBondContact O-N 2.93Å; E1411-S1415 PolarHBondContact O-OG 3.42Å; E1413-S1415 VanDerWaalsContact C-N 3.25Å; E1413-S1415 PolarHBondContact O-N 2.67Å
1416	R	29.6	Very low	39.5	Very low	123 Å²	123	87.1 Å²	87.1	46%	0.464	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-13.6	-179.2	-154.3	173.9	-170.1	175	2.8	113.9	E1413 Q1418 D2041	E1413-R1416 PolarHBondContact O-N 3.26Å; E1413-R1416 VanDerWaalsContact O-N 3.07Å; R1416-Q1418 VanDerWaalsContact C-N 3.29Å; R1416-D2041 IonicContact CZ-OD1 2.76Å; R1416-D2041 IonicContact NH1-OD1 3.83Å; R1416-D2041 PolarHBondContact NH1-OD1 2.88Å; R1416-D2041 IonicContact NH1-OD2 2.78Å; R1416-D2041 PolarHBondContact NH1-OD2 2.9Å; R1416-D2041 IonicContact NH2-OD1 3.47Å
1417	A	27	Very low	37	Very low	89 Å²	89	85.6 Å²	85.6	74%	0.736	45%	0.447	S	S	*	.	S	Bend	trans	-75.2	-13.4	172.2	0	0	0	0	0	113.8
1418	Q	25.2	Very low	35.1	Very low	160 Å²	160	81.1 Å²	81.1	75%	0.748	45%	0.449	S	S	*	.	S	Bend	trans	-139.5	70.9	-173.4	-65	-173.8	1	0	0	112.7	R1416	R1416-Q1418 VanDerWaalsContact C-N 3.29Å
1419	N	24.6	Very low	33	Very low	132 Å²	132	83.4 Å²	83.4	71%	0.706	47%	0.466	S	S	*	.			trans	174.4	86.9	136.6	-89.4	-14.6	0	0	0	111
1420	Y	22	Very low	30.5	Very low	215 Å²	215	86.3 Å²	86.3	84%	0.843	50%	0.497	S	S	*	.	S	Bend	trans	-106.9	139	146.9	-99.5	-91.1	0	0	0	107.3
1421	D	22.2	Very low	29	Very low	103 Å²	103	90.8 Å²	90.8	55%	0.551	52%	0.523	S	S	*	.			trans	50.7	78.5	166.9	-91.7	37.7	0	0	0	118.7	R1517	D1421-R1517 IonicContact OD2-CZ 3.99Å; D1421-R1517 IonicContact OD2-NH1 3.99Å; D1421-R1517 PolarHBondContact OD2-NH1 2.92Å; D1421-R1517 IonicContact OD2-NH2 3.64Å; D1421-R1517 PolarHBondContact OD2-NH2 3Å
1422	E	23.7	Very low	27.6	Very low	103 Å²	103	91 Å²	91	48%	0.481	53%	0.534	S	S	.	.			trans	-124.5	86.4	130.2	-99	-136.8	-125.6	0	0	110.2	S1488 S1489	E1422-S1488 PolarHBondContact OE1-OG 3.31Å; E1422-S1488 WeakPolarHBondContact OE2-CB 3.48Å; E1422-S1488 PolarHBondContact OE2-OG 2.8Å; E1422-S1489 WeakPolarHBondContact OE1-CB 3.43Å; E1422-S1489 PolarHBondContact OE1-OG 3.05Å
1423	S	20.6	Very low	26	Very low	78 Å²	78	94.9 Å²	94.9	55%	0.545	56%	0.562	S	S	.	*			trans	-140.7	139.4	154.2	79.6	0	0	0	0	112	R1517	S1423-R1517 PolarHBondContact O-NH2 2.9Å
1424	L	22.6	Very low	25.1	Very low	96 Å²	96	99.7 Å²	99.7	50%	0.503	58%	0.582	S	S	.	*			trans	60.7	75.5	166.1	-53	-176	0	0	0	116.4
1425	L	23.1	Very low	24.2	Very low	73 Å²	73	103 Å²	103	38%	0.382	58%	0.579	S	S	.	*			trans	-96.7	95.8	142.1	-56.6	-177.8	0	0	0	109	I1492 T1514 R1517	L1425-I1492 HydrophobicContact CD1-CD1 4.16Å; L1425-I1492 HydrophobicContact CD1-CG1 4.43Å; L1425-T1514 HydrophobicContact CD1-CG2 3.88Å; L1425-T1514 HydrophobicContact CD2-CG2 3.86Å; L1425-T1514 WeakPolarHBondContact CD2-OG1 3.27Å; L1425-T1514 HydrophobicContact CG-CG2 4.3Å; L1425-R1517 HydrophobicContact CD2-CG 4.24Å
1426	S	24.1	Very low	23.7	Very low	90 Å²	90	102.1 Å²	102.1	63%	0.629	58%	0.575	S	S	*	*				169.4	90.9	127.9	-77.6	0	0	0	0	116.8	G1428 V1516	S1426-G1428 VanDerWaalsContact C-N 3.26Å; S1426-G1428 PolarHBondContact O-N 3.14Å; S1426-G1428 VanDerWaalsContact O-N 3.1Å; S1426-V1516 VanDerWaalsContact CA-CG1 3.42Å
1427	N	21	Very low	23.4	Very low	26 Å²	26	105.1 Å²	105.1	14%	0.139	59%	0.586	C	S	.	*			trans	-78.3	70.4	159.5	-80.5	29.6	0	0	0	110.3	T1042 V1516 S1520 Q1523	T1042-N1427 HydrophobicContact CG2-CB 3.59Å; T1042-N1427 WeakPolarHBondContact CG2-ND2 3.38Å; N1427-V1516 HydrophobicContact CB-CG1 4.49Å; N1427-V1516 VanDerWaalsContact N-CG1 3.33Å; N1427-S1520 WeakPolarHBondContact ND2-CA 3.44Å; N1427-S1520 VanDerWaalsContact ND2-CB 3.3Å; N1427-S1520 WeakPolarHBondContact ND2-CB 3.47Å; N1427-S1520 PolarHBondContact ND2-OG 3.3Å; N1427-Q1523 PolarHBondContact ND2-OE1 3.4Å
1428	G	23.4	Very low	23.2	Very low	61 Å²	61	107.4 Å²	107.4	63%	0.629	59%	0.585	S	S	*	*			trans	-101.3	104.9	174.9	0	0	0	0	0	111.8	S1426	S1426-G1428 VanDerWaalsContact C-N 3.26Å; S1426-G1428 PolarHBondContact O-N 3.14Å; S1426-G1428 VanDerWaalsContact O-N 3.1Å
1429	S	21.5	Very low	23.1	Very low	49 Å²	49	105.7 Å²	105.7	34%	0.343	58%	0.581	S	S	.	*			trans	-103	105.3	-172.3	62.5	0	0	0	0	113	D1043 K1519	D1043-S1429 WeakPolarHBondContact OD2-CA 3.47Å; D1043-S1429 WeakPolarHBondContact OD2-CB 3.32Å; S1429-K1519 PolarHBondContact OG-NZ 3.4Å
1430	G	23.1	Very low	22.9	Very low	65 Å²	65	105.4 Å²	105.4	67%	0.67	58%	0.579	S	S	*	*			trans	158.7	74.5	169.3	0	0	0	0	0	120.9
1431	V	22.8	Very low	23	Very low	133 Å²	133	102 Å²	102	81%	0.806	58%	0.576	S	S	*	*			trans	44.9	106.2	131.7	-171.3	0	0	0	0	121.1
1432	C	23	Very low	23	Very low	105 Å²	105	102.8 Å²	102.8	71%	0.709	59%	0.589	S	S	*	*			trans	68.3	102.7	140.5	-59.2	0	0	0	0	125.1
1433	S	25	Very low	23	Very low	83 Å²	83	101.1 Å²	101.1	58%	0.58	60%	0.6	S	S	*	*				32.7	127	120.5	-36.5	0	0	0	0	124
1434	K	24.4	Very low	23.1	Very low	157 Å²	157	105.5 Å²	105.5	68%	0.683	62%	0.616	S	S	*	*				-168.6	-57.2	111.7	-101.8	167.7	-175.9	172	0	128.5	D1458 A1459	K1434-D1458 WeakPolarHBondContact CA-OD2 3.45Å; K1434-D1458 VanDerWaalsContact N-CB 3.33Å; K1434-D1458 PolarHBondContact N-OD2 3.4Å; K1434-A1459 CarbonylContact C-O 2.9Å; K1434-A1459 VanDerWaalsContact C-O 3.29Å
1435	R	23.4	Very low	23	Very low	168 Å²	168	106.3 Å²	106.3	63%	0.634	63%	0.63	S	S	*	*			trans	-159.1	88.9	-163.4	-147.6	161.6	-154.2	-121.9	-2.5	127.2	L1457 D1458 A1459 F1460	R1435-L1457 PolarHBondContact N-O 3.46Å; R1435-D1458 CarbonylContact C-O 3.22Å; R1435-A1459 VanDerWaalsContact CA-O 3.26Å; R1435-A1459 WeakPolarHBondContact CA-O 3.19Å; R1435-A1459 PolarHBondContact N-O 2.92Å; R1435-F1460 HydrophobicContact CG-CD2 4.06Å; R1435-F1460 HydrophobicContact CG-CE2 4.42Å; R1435-F1460 VanDerWaalsContact NH2-CZ 3.28Å
1436	A	24.7	Very low	23	Very low	35 Å²	35	106.2 Å²	106.2	29%	0.289	65%	0.646	S	S	.	*				77.9	138.2	118.9	0	0	0	0	0	126.6	D1458 F1460	A1436-D1458 VanDerWaalsContact N-C 3.29Å; A1436-D1458 PolarHBondContact N-O 2.68Å; A1436-F1460 HydrophobicContact CB-CB 3.99Å
1437	R	23.3	Very low	22.8	Very low	186 Å²	186	109.8 Å²	109.8	70%	0.702	66%	0.657	S	S	*	*			trans	84.6	131.4	132.1	-89.9	178.5	-162.2	-126.6	0.9	124.2
1438	L	23.7	Very low	22.8	Very low	138 Å²	138	114.9 Å²	114.9	72%	0.723	69%	0.689	S	S	*	*			trans	68.1	160.8	147.3	-55.7	170.5	0	0	0	116.6
1439	L	22.8	Very low	22.8	Very low	123 Å²	123	117.2 Å²	117.2	64%	0.644	70%	0.695	S	S	*	*			cis	-162.5	159.3	-17.7	-107.3	169.5	0	0	0	109
1440	D	21.6	Very low	23.1	Very low	127 Å²	127	120.1 Å²	120.1	68%	0.679	71%	0.713	S	S	*	*			trans	60.6	140.8	149.2	-52.8	-27.9	0	0	0	125.1
1441	D	22.7	Very low	22.9	Very low	144 Å²	144	126.3 Å²	126.3	77%	0.77	72%	0.724	S	S	*	*			trans	61.8	99.4	140.7	-70.6	-6.8	0	0	0	124.4
1442	S	22.5	Very low	22.9	Very low	118 Å²	118	123.3 Å²	123.3	83%	0.825	72%	0.72	S	S	*	*				52.8	124.6	121.4	74	0	0	0	0	122.4
1443	G	23.5	Very low	22.7	Very low	69 Å²	69	124.6 Å²	124.6	71%	0.711	73%	0.725	S	S	*	*				128.5	123.3	126.7	0	0	0	0	0	119.5
1444	L	23.6	Very low	22.5	Very low	170 Å²	170	126.6 Å²	126.6	89%	0.89	73%	0.733	S	S	*	*			trans	73.6	146.2	148.3	-68.3	163.3	0	0	0	121.4
1445	S	20.7	Very low	22.4	Very low	112 Å²	112	123.8 Å²	123.8	78%	0.783	73%	0.733	S	S	*	*			trans	54.9	109.2	158.8	48.8	0	0	0	0	119
1446	G	21.7	Very low	22.3	Very low	71 Å²	71	122.3 Å²	122.3	73%	0.732	74%	0.738	S	S	*	*			trans	-80.8	-148.2	161.1	0	0	0	0	0	113.5
1447	I	20.9	Very low	22.2	Very low	165 Å²	165	125.8 Å²	125.8	85%	0.846	75%	0.751	S	S	*	*			trans	97.6	93.7	-167.9	-57.7	174.9	0	0	0	113
1448	V	20.7	Very low	22.1	Very low	134 Å²	134	122 Å²	122	81%	0.812	75%	0.745	S	S	*	*			trans	68.4	112.2	144.6	-179	0	0	0	0	119.1
1449	S	23.1	Very low	22.1	Very low	109 Å²	109	117.8 Å²	117.8	76%	0.762	73%	0.73	S	S	*	*			trans	-61.5	157.4	164.2	-35.6	0	0	0	0	112.6
1450	P	27.1	Very low	22.1	Very low	111 Å²	111	117.2 Å²	117.2	72%	0.721	72%	0.722	S	S	*	*				-145.6	163.7	86.8	37.8	-21.8	0	0	0	116.5
1451	E	19.6	Very low	22.1	Very low	195 Å²	195	119.4 Å²	119.4	91%	0.911	73%	0.728	S	S	*	*			trans	33.3	124.9	146	-58.9	178.5	153.2	0	0	121
1452	G	22.3	Very low	22.2	Very low	70 Å²	70	119.2 Å²	119.2	72%	0.722	73%	0.727	S	S	*	*			trans	178.7	40.1	169.9	0	0	0	0	0	125.3
1453	V	20.4	Very low	22.4	Very low	132 Å²	132	121.3 Å²	121.3	80%	0.8	73%	0.728	S	S	*	*			trans	50.5	141.9	145.6	-139.5	0	0	0	0	123.1
1454	V	20.9	Very low	22.3	Very low	125 Å²	125	124.5 Å²	124.5	76%	0.758	73%	0.729	S	S	*	*			trans	65.1	121.5	157.8	-83.4	0	0	0	0	124
1455	S	21	Very low	22.4	Very low	97 Å²	97	122.4 Å²	122.4	68%	0.678	73%	0.725	S	S	*	*				63.3	132.6	129.9	-70.8	0	0	0	0	121.3
1456	D	21.5	Very low	22.4	Very low	137 Å²	137	125.3 Å²	125.3	73%	0.733	73%	0.726	S	S	*	*			cis	-169.6	139.3	38.4	-95.3	-30.3	0	0	0	114.9
1457	L	22	Very low	22.6	Very low	108 Å²	108	125.8 Å²	125.8	57%	0.565	73%	0.731	S	S	*	*			trans	68.5	69.8	135.1	-59.4	168.1	0	0	0	125.1	R1435	R1435-L1457 PolarHBondContact N-O 3.46Å
1458	D	22.3	Very low	22.9	Very low	108 Å²	108	122.4 Å²	122.4	58%	0.578	73%	0.728	S	S	*	*				75.2	-142.4	126.1	-172.8	65	0	0	0	121.9	K1434 R1435 A1436	K1434-D1458 WeakPolarHBondContact CA-OD2 3.45Å; K1434-D1458 VanDerWaalsContact N-CB 3.33Å; K1434-D1458 PolarHBondContact N-OD2 3.4Å; R1435-D1458 CarbonylContact C-O 3.22Å; A1436-D1458 VanDerWaalsContact N-C 3.29Å; A1436-D1458 PolarHBondContact N-O 2.68Å
1459	A	23.2	Very low	23.2	Very low	49 Å²	49	123.1 Å²	123.1	41%	0.405	73%	0.726	S	S	.	*			trans	-142	-172.6	-148.5	0	0	0	0	0	116.8	K1434 R1435	K1434-A1459 CarbonylContact C-O 2.9Å; K1434-A1459 VanDerWaalsContact C-O 3.29Å; R1435-A1459 VanDerWaalsContact CA-O 3.26Å; R1435-A1459 WeakPolarHBondContact CA-O 3.19Å; R1435-A1459 PolarHBondContact N-O 2.92Å
1460	F	22.3	Very low	23.6	Very low	111 Å²	111	121.7 Å²	121.7	49%	0.487	72%	0.716	S	S	.	*			trans	-149	140.8	174.5	-139.5	-110.7	0	0	0	111.4	R1435 A1436	R1435-F1460 HydrophobicContact CG-CD2 4.06Å; R1435-F1460 HydrophobicContact CG-CE2 4.42Å; R1435-F1460 VanDerWaalsContact NH2-CZ 3.28Å; A1436-F1460 HydrophobicContact CB-CB 3.99Å
1461	E	21.7	Very low	23.8	Very low	173 Å²	173	120.2 Å²	120.2	81%	0.808	71%	0.708	S	S	*	*			trans	-71	150.9	165.5	-68.6	-173.2	110.1	0	0	111
1462	D	24.6	Very low	24.9	Very low	139 Å²	139	113.4 Å²	113.4	74%	0.743	69%	0.689	S	S	*	*				-179.9	160.8	127.3	-100.6	-39.5	0	0	0	111.5
1463	L	27.9	Very low	26.5	Very low	162 Å²	162	119 Å²	119	85%	0.848	69%	0.689	S	S	*	*			trans	74.8	88.9	169.8	-55.3	-177.4	0	0	0	119.1
1464	L	20.8	Very low	28.9	Very low	137 Å²	137	116.7 Å²	116.7	72%	0.717	67%	0.671	S	S	*	*			trans	-51.4	163.8	137.5	-76.2	151.3	0	0	0	111.8	E1466	L1464-E1466 HydrophobicContact CD1-CG 4.24Å; L1464-E1466 HydrophobicContact CD2-CG 4.31Å
1465	P	25.6	Very low	31.4	Very low	126 Å²	126	116.4 Å²	116.4	82%	0.818	67%	0.665	S	S	*	*				-117.2	143.8	101.8	33.4	-35	0	0	0	113.6
1466	E	21.9	Very low	34.2	Very low	173 Å²	173	111.8 Å²	111.8	81%	0.808	63%	0.633	S	S	*	*			trans	-80.9	149	170.3	-58.7	178	111.3	0	0	110.9	L1464	L1464-E1466 HydrophobicContact CD1-CG 4.24Å; L1464-E1466 HydrophobicContact CD2-CG 4.31Å
1467	G	25.5	Very low	36.8	Very low	81 Å²	81	109.9 Å²	109.9	84%	0.835	62%	0.619	S	S	*	*			trans	97.8	74.4	148.6	0	0	0	0	0	118.7
1468	A	27.4	Very low	39.5	Very low	93 Å²	93	106.8 Å²	106.8	77%	0.769	61%	0.605	S	S	*	*			trans	-148	132.9	147.2	0	0	0	0	0	112.1
1469	L	26.2	Very low	42.2	Very low	150 Å²	150	104 Å²	104	79%	0.785	59%	0.593	S	S	*	*			trans	38.7	104.7	152	-60.6	169.8	0	0	0	120.1
1470	S	30.8	Very low	45	Very low	78 Å²	78	109.6 Å²	109.6	55%	0.545	61%	0.608	S	S	.	*	S	Bend	trans	11.8	115.8	141	50.5	0	0	0	0	121.1	E1322 G1472	E1322-S1470 WeakPolarHBondContact O-CB 3.44Å; S1470-G1472 VanDerWaalsContact C-N 3.34Å; S1470-G1472 PolarHBondContact O-N 3.27Å
1471	C	32.1	Very low	47.5	Very low	81 Å²	81	110 Å²	110	55%	0.547	61%	0.611	S	S	.	*				60.4	22.3	124.9	-148.4	0	0	0	0	119	E1322 H1324	E1322-C1471 WeakPolarHBondContact O-CB 3.09Å; H1324-C1471 PolarHBondContact O-SG 2.86Å; H1324-C1471 VanDerWaalsContact O-SG 3.32Å
1472	G	41.8	Very low	50	Low	51 Å²	51	104 Å²	104	53%	0.526	59%	0.592	S	S	.	*			trans	-70.8	140.3	175.2	0	0	0	0	0	113.7	S1470 V1485	S1470-G1472 VanDerWaalsContact C-N 3.34Å; S1470-G1472 PolarHBondContact O-N 3.27Å; G1472-V1485 VanDerWaalsContact O-CG2 3.28Å; G1472-V1485 WeakPolarHBondContact O-CG2 3.24Å
1473	R	57.2	Low	52.4	Low	189 Å²	189	97.9 Å²	97.9	71%	0.713	56%	0.559	S	S	*	*			trans	-79.1	132.2	162.9	-70.4	167.8	172.9	-166.6	-1.9	108.7	A1482 L1484	R1473-A1482 HydrophobicContact CB-CB 4.02Å; R1473-A1482 HydrophobicContact CG-CB 4.38Å; R1473-L1484 HydrophobicContact CG-CD2 4.14Å
1474	L	70.8	Confident	54.7	Low	82 Å²	82	93.6 Å²	93.6	43%	0.429	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	115.5	174.3	-72.7	171.9	0	0	0	109.6	C1476 V1483 V1485 F1555	L1474-C1476 PolarHBondContact O-N 3.41Å; L1474-V1483 PolarHBondContact N-O 3.19Å; L1474-V1483 PolarHBondContact O-N 3.43Å; L1474-V1485 HydrophobicContact CD1-CG1 4.44Å; L1474-V1485 HydrophobicContact CD1-CG2 4.04Å; L1474-V1485 HydrophobicContact CG-CG2 4.09Å; L1474-F1555 HydrophobicContact CB-CD1 3.92Å; L1474-F1555 HydrophobicContact CB-CE1 3.7Å
1475	L	73	Confident	56.9	Low	119 Å²	119	92.3 Å²	92.3	62%	0.623	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	118.4	170.8	-80.2	158.4	0	0	0	109.2	H1477 K1480 A1482	L1475-H1477 PolarHBondContact O-N 3.49Å; L1475-K1480 WeakPolarHBondContact CD2-O 3.4Å; L1475-A1482 HydrophobicContact CD2-CB 4.46Å
1476	C	79.4	Confident	58.9	Low	0 Å²	0	91.1 Å²	91.1	0%	0	52%	0.518	C	S	.	.			trans	-69.2	120.6	170.2	170.3	0	0	0	0	109	L1474 V1478 K1480 Q1481 V1483 H1493 H1497 C1554 F1555	L1474-C1476 PolarHBondContact O-N 3.41Å; C1476-V1478 PolarHBondContact O-N 3.31Å; C1476-K1480 WeakPolarHBondContact O-CA 3.47Å; C1476-K1480 PolarHBondContact O-N 3.3Å; C1476-Q1481 PolarHBondContact N-O 3.33Å; C1476-V1483 HydrophobicContact CB-CG2 3.91Å; C1476-H1493 VanDerWaalsContact CB-NE2 3.28Å; C1476-H1493 WeakPolarHBondContact CB-NE2 3.23Å; C1476-H1493 PolarHBondContact SG-NE2 2.92Å; C1476-H1497 PolarHBondContact SG-NE2 2.87Å; C1476-H1497 VanDerWaalsContact SG-NE2 3.41Å; C1476-C1554 CarbonylContact C-O 3.26Å; C1476-C1554 VanDerWaalsContact CA-O 3.31Å; C1476-C1554 WeakPolarHBondContact CA-O 3.43Å; C1476-F1555 HydrophobicContact CB-CE1 4Å; C1476-F1555 HydrophobicContact CB-CZ 4.09Å
1477	H	77.4	Confident	60.7	Low	97 Å²	97	90.9 Å²	90.9	45%	0.449	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.8	-175.1	-137	-60.1	0	0	0	113.7	L1475 C1554 P1556	L1475-H1477 PolarHBondContact O-N 3.49Å; H1477-C1554 PolarHBondContact N-O 3.29Å; H1477-P1556 HydrophobicContact CB-CG 4.35Å
1478	V	77.3	Confident	62.4	Low	44 Å²	44	88.1 Å²	88.1	27%	0.267	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-41.3	-176.9	178.7	0	0	0	0	112.9	C1476 M1550 L1553 V1568 V1572	C1476-V1478 PolarHBondContact O-N 3.31Å; V1478-M1550 HydrophobicContact CG1-CE 4.46Å; V1478-M1550 HydrophobicContact CG2-CE 4.38Å; V1478-L1553 HydrophobicContact CG2-CB 4.36Å; V1478-V1568 HydrophobicContact CG2-CG1 4.06Å; V1478-V1572 HydrophobicContact CB-CG2 4.39Å; V1478-V1572 HydrophobicContact CG1-CG1 4.32Å; V1478-V1572 HydrophobicContact CG1-CG2 3.79Å; V1478-V1572 HydrophobicContact CG2-CG2 3.62Å
1479	C	80.4	Confident	64.3	Low	48 Å²	48	84.7 Å²	84.7	32%	0.324	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	3.1	-179.3	61.2	0	0	0	0	114.5	Q1481 H1493 H1497	C1479-Q1481 HydrophobicContact CB-CG 4.37Å; C1479-Q1481 PolarHBondContact O-N 2.84Å; C1479-H1493 PolarHBondContact SG-CE1 3.35Å; C1479-H1493 PolarHBondContact SG-NE2 3.12Å; C1479-H1493 VanDerWaalsContact SG-NE2 3.43Å; C1479-H1497 PolarHBondContact SG-CE1 3.18Å
1480	K	81.5	Confident	66.5	Low	167 Å²	167	80.9 Å²	80.9	73%	0.726	42%	0.423	S	S	*	.			trans	56.7	16.6	-176.9	-54.2	175.5	-175.4	173.9	0	114.3	L1475 C1476	L1475-K1480 WeakPolarHBondContact CD2-O 3.4Å; C1476-K1480 WeakPolarHBondContact O-CA 3.47Å; C1476-K1480 PolarHBondContact O-N 3.3Å
1481	Q	74.1	Confident	68.5	Low	119 Å²	119	79.6 Å²	79.6	56%	0.556	41%	0.408	S	S	*	.			trans	-82.7	140.2	175	-66.4	-173.3	-7.2	0	0	111.6	C1476 C1479 V1483	C1476-Q1481 PolarHBondContact N-O 3.33Å; C1479-Q1481 HydrophobicContact CB-CG 4.37Å; C1479-Q1481 PolarHBondContact O-N 2.84Å; Q1481-V1483 PolarHBondContact O-N 3.23Å
1482	A	74.2	Confident	70.4	Confident	48 Å²	48	78.3 Å²	78.3	40%	0.397	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	100.5	174.4	0	0	0	0	0	111.4	R1473 L1475	R1473-A1482 HydrophobicContact CB-CB 4.02Å; R1473-A1482 HydrophobicContact CG-CB 4.38Å; L1475-A1482 HydrophobicContact CD2-CB 4.46Å
1483	V	74.8	Confident	72.3	Confident	10 Å²	10	76.9 Å²	76.9	6%	0.061	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	137.3	176.1	-171.8	0	0	0	0	109.8	L1474 C1476 Q1481 W1490 H1493 F1555	L1474-V1483 PolarHBondContact N-O 3.19Å; L1474-V1483 PolarHBondContact O-N 3.43Å; C1476-V1483 HydrophobicContact CB-CG2 3.91Å; Q1481-V1483 PolarHBondContact O-N 3.23Å; V1483-W1490 HydrophobicContact CG1-CB 4.26Å; V1483-H1493 HydrophobicContact CG1-CB 4.38Å; V1483-H1493 HydrophobicContact CG2-CB 4.43Å; V1483-F1555 HydrophobicContact CB-CE1 4.32Å; V1483-F1555 HydrophobicContact CB-CZ 3.93Å; V1483-F1555 HydrophobicContact CG1-CZ 4.29Å; V1483-F1555 HydrophobicContact CG2-CE1 4.39Å; V1483-F1555 HydrophobicContact CG2-CZ 3.92Å
1484	L	76.3	Confident	73.4	Confident	72 Å²	72	68.1 Å²	68.1	38%	0.377	34%	0.343	S	S	.	.			trans	-82.7	144	176.6	-65.8	164.5	0	0	0	109.9	F1326 R1473 H1486	F1326-L1484 HydrophobicContact CE2-CB 4.06Å; F1326-L1484 HydrophobicContact CE2-CD1 3.69Å; F1326-L1484 HydrophobicContact CE2-CG 4.37Å; F1326-L1484 HydrophobicContact CZ-CD1 3.61Å; R1473-L1484 HydrophobicContact CG-CD2 4.14Å; L1484-H1486 PolarHBondContact O-N 3.35Å
1485	V	66.7	Low	73.7	Confident	110 Å²	110	65.8 Å²	65.8	67%	0.667	33%	0.332	S	S	*	.	S	Bend	trans	-77.9	58.4	-170.7	-162.7	0	0	0	0	111.7	G1472 L1474	G1472-V1485 VanDerWaalsContact O-CG2 3.28Å; G1472-V1485 WeakPolarHBondContact O-CG2 3.24Å; L1474-V1485 HydrophobicContact CD1-CG1 4.44Å; L1474-V1485 HydrophobicContact CD1-CG2 4.04Å; L1474-V1485 HydrophobicContact CG-CG2 4.09Å
1486	H	67.3	Low	73.6	Confident	101 Å²	101	67.7 Å²	67.7	47%	0.468	34%	0.335	S	S	.	.			trans	-129.2	141.8	178.2	-168.2	-106.9	0	0	0	112	L1484 S1488 S1489 W1490	L1484-H1486 PolarHBondContact O-N 3.35Å; H1486-S1488 VanDerWaalsContact C-N 3.35Å; H1486-S1488 PolarHBondContact CE1-OG 2.7Å; H1486-S1488 PolarHBondContact ND1-OG 3.43Å; H1486-S1488 PolarHBondContact O-N 3.35Å; H1486-S1489 PolarHBondContact O-N 3.13Å; H1486-W1490 PolarHBondContact O-N 3.14Å; H1486-W1490 VanDerWaalsContact O-N 3.09Å
1487	R	60	Low	73.7	Confident	168 Å²	168	68.6 Å²	68.6	63%	0.634	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-21.1	-167.4	-175.9	159	-170.4	170.8	-1	114.7	W1490 E1491	R1487-W1490 VanDerWaalsContact C-CD1 3.49Å; R1487-W1490 HydrophobicContact CG-CZ2 4.33Å; R1487-W1490 PolarHBondContact O-NE1 2.94Å; R1487-W1490 VanDerWaalsContact O-NE1 3.15Å; R1487-E1491 VanDerWaalsContact CG-OE1 3.32Å; R1487-E1491 WeakPolarHBondContact CG-OE1 3.41Å; R1487-E1491 IonicContact CZ-OE1 2.67Å; R1487-E1491 IonicContact NE-OE1 3.63Å; R1487-E1491 PolarHBondContact NE-OE1 2.82Å; R1487-E1491 IonicContact NH2-OE1 2.69Å; R1487-E1491 VanDerWaalsContact O-CD 3.24Å
1488	S	61.2	Low	73.7	Confident	23 Å²	23	64.3 Å²	64.3	16%	0.161	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-52.9	167.9	51.9	0	0	0	0	111	E1422 H1486 W1490 E1491 I1492	E1422-S1488 PolarHBondContact OE1-OG 3.31Å; E1422-S1488 WeakPolarHBondContact OE2-CB 3.48Å; E1422-S1488 PolarHBondContact OE2-OG 2.8Å; H1486-S1488 VanDerWaalsContact C-N 3.35Å; H1486-S1488 PolarHBondContact CE1-OG 2.7Å; H1486-S1488 PolarHBondContact ND1-OG 3.43Å; H1486-S1488 PolarHBondContact O-N 3.35Å; S1488-W1490 VanDerWaalsContact C-N 3.34Å; S1488-W1490 PolarHBondContact O-N 3.39Å; S1488-E1491 PolarHBondContact O-N 3.09Å; S1488-I1492 WeakPolarHBondContact O-CG1 3.48Å; S1488-I1492 PolarHBondContact O-N 3.04Å
1489	S	69	Low	73.4	Confident	22 Å²	22	69.5 Å²	69.5	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-64.4	-33.8	-170.3	-41.5	0	0	0	0	113	E1422 H1486 H1493	E1422-S1489 WeakPolarHBondContact OE1-CB 3.43Å; E1422-S1489 PolarHBondContact OE1-OG 3.05Å; H1486-S1489 PolarHBondContact O-N 3.13Å; S1489-H1493 WeakPolarHBondContact O-CB 3.35Å; S1489-H1493 PolarHBondContact O-N 3.31Å
1490	W	72.3	Confident	72.7	Confident	69 Å²	69	69 Å²	69	26%	0.261	33%	0.331	S	S	.	.	H	α-helix	trans	-71.6	-26.3	173.6	81.7	-16.9	0	0	0	113.8	V1483 H1486 R1487 S1488 V1494 R1551	V1483-W1490 HydrophobicContact CG1-CB 4.26Å; H1486-W1490 PolarHBondContact O-N 3.14Å; H1486-W1490 VanDerWaalsContact O-N 3.09Å; R1487-W1490 VanDerWaalsContact C-CD1 3.49Å; R1487-W1490 HydrophobicContact CG-CZ2 4.33Å; R1487-W1490 PolarHBondContact O-NE1 2.94Å; R1487-W1490 VanDerWaalsContact O-NE1 3.15Å; S1488-W1490 VanDerWaalsContact C-N 3.34Å; S1488-W1490 PolarHBondContact O-N 3.39Å; W1490-V1494 WeakPolarHBondContact O-CB 3.39Å; W1490-V1494 VanDerWaalsContact O-CG2 3.32Å; W1490-V1494 WeakPolarHBondContact O-CG2 3.44Å; W1490-V1494 PolarHBondContact O-N 3.16Å; W1490-R1551 VanDerWaalsContact CZ2-CZ 3.49Å; W1490-R1551 HydrophobicContact CZ3-CG 4.46Å; W1490-R1551 VanDerWaalsContact CZ3-NE 3.26Å
1491	E	71.8	Confident	71.7	Confident	51 Å²	51	70 Å²	70	24%	0.238	34%	0.336	C	S	.	.	H	α-helix	trans	-87.6	-37.8	-175.3	-91.3	158.9	-142.4	0	0	108.6	R1487 S1488 H1493 T1495 R1551	R1487-E1491 VanDerWaalsContact CG-OE1 3.32Å; R1487-E1491 WeakPolarHBondContact CG-OE1 3.41Å; R1487-E1491 IonicContact CZ-OE1 2.67Å; R1487-E1491 IonicContact NE-OE1 3.63Å; R1487-E1491 PolarHBondContact NE-OE1 2.82Å; R1487-E1491 IonicContact NH2-OE1 2.69Å; R1487-E1491 VanDerWaalsContact O-CD 3.24Å; S1488-E1491 PolarHBondContact O-N 3.09Å; E1491-H1493 VanDerWaalsContact C-N 3.3Å; E1491-T1495 WeakPolarHBondContact O-CB 3.48Å; E1491-T1495 VanDerWaalsContact O-CG2 3.31Å; E1491-T1495 WeakPolarHBondContact O-CG2 3.49Å; E1491-T1495 PolarHBondContact O-N 2.89Å; E1491-T1495 PolarHBondContact O-OG1 3.01Å; E1491-R1551 IonicContact OE1-NH2 2.69Å
1492	I	72	Confident	71	Confident	55 Å²	55	65.9 Å²	65.9	28%	0.282	32%	0.321	S	S	.	.	H	α-helix	trans	-61.6	-38.2	165	-64.3	164.5	0	0	0	110.7	L1425 S1488 T1495 K1496	L1425-I1492 HydrophobicContact CD1-CD1 4.16Å; L1425-I1492 HydrophobicContact CD1-CG1 4.43Å; S1488-I1492 WeakPolarHBondContact O-CG1 3.48Å; S1488-I1492 PolarHBondContact O-N 3.04Å; I1492-T1495 WeakPolarHBondContact CA-OG1 3.02Å; I1492-T1495 PolarHBondContact O-OG1 3.47Å; I1492-K1496 WeakPolarHBondContact O-CB 3.37Å; I1492-K1496 VanDerWaalsContact O-CG 3.27Å; I1492-K1496 WeakPolarHBondContact O-CG 3.34Å; I1492-K1496 PolarHBondContact O-N 3.15Å
1493	H	81.2	Confident	70.4	Confident	20 Å²	20	66.7 Å²	66.7	9%	0.093	32%	0.317	C	S	.	.	H	α-helix	trans	-68.5	-49.1	176.6	-172.4	85	0	0	0	112.3	C1476 C1479 V1483 S1489 E1491 K1496 H1497	C1476-H1493 VanDerWaalsContact CB-NE2 3.28Å; C1476-H1493 WeakPolarHBondContact CB-NE2 3.23Å; C1476-H1493 PolarHBondContact SG-NE2 2.92Å; C1479-H1493 PolarHBondContact SG-CE1 3.35Å; C1479-H1493 PolarHBondContact SG-NE2 3.12Å; C1479-H1493 VanDerWaalsContact SG-NE2 3.43Å; V1483-H1493 HydrophobicContact CG1-CB 4.38Å; V1483-H1493 HydrophobicContact CG2-CB 4.43Å; S1489-H1493 WeakPolarHBondContact O-CB 3.35Å; S1489-H1493 PolarHBondContact O-N 3.31Å; E1491-H1493 VanDerWaalsContact C-N 3.3Å; H1493-K1496 WeakPolarHBondContact O-CB 3.48Å; H1493-K1496 PolarHBondContact O-N 2.95Å; H1493-H1497 AromaticContact CD2-CD2 3.58Å; H1493-H1497 AromaticContact CD2-NE2 3.42Å; H1493-H1497 PolarHBondContact CD2-NE2 3.23Å; H1493-H1497 AromaticContact CE1-NE2 3.68Å; H1493-H1497 AromaticContact NE2-CD2 3.62Å; H1493-H1497 AromaticContact NE2-NE2 2.94Å; H1493-H1497 PolarHBondContact NE2-NE2 3.18Å; H1493-H1497 PolarHBondContact O-CD2 2.92Å; H1493-H1497 PolarHBondContact O-N 3.34Å; H1493-H1497 VanDerWaalsContact O-N 3.1Å
1494	V	81.5	Confident	70	Confident	6 Å²	6	71.9 Å²	71.9	4%	0.036	34%	0.34	C	S	.	.	H	α-helix	trans	-63.9	-42	177.1	164	0	0	0	0	112	W1490 K1496 H1497 L1498 L1547 M1550	W1490-V1494 WeakPolarHBondContact O-CB 3.39Å; W1490-V1494 VanDerWaalsContact O-CG2 3.32Å; W1490-V1494 WeakPolarHBondContact O-CG2 3.44Å; W1490-V1494 PolarHBondContact O-N 3.16Å; V1494-K1496 PolarHBondContact O-N 2.95Å; V1494-H1497 WeakPolarHBondContact O-CB 3.3Å; V1494-H1497 PolarHBondContact O-N 2.79Å; V1494-L1498 HydrophobicContact CG1-CD1 3.92Å; V1494-L1498 WeakPolarHBondContact O-CG 3.34Å; V1494-L1498 PolarHBondContact O-N 3.36Å; V1494-L1547 HydrophobicContact CG1-CD2 3.74Å; V1494-M1550 HydrophobicContact CG1-CB 3.87Å; V1494-M1550 HydrophobicContact CG1-CG 3.72Å
1495	T	76.5	Confident	69.8	Low	32 Å²	32	68.5 Å²	68.5	20%	0.196	32%	0.323	C	S	.	.	H	α-helix	trans	-69.1	-29.2	176.4	51.2	0	0	0	0	113.5	E1491 I1492 L1498 K1499 F1500 L1547	E1491-T1495 WeakPolarHBondContact O-CB 3.48Å; E1491-T1495 VanDerWaalsContact O-CG2 3.31Å; E1491-T1495 WeakPolarHBondContact O-CG2 3.49Å; E1491-T1495 PolarHBondContact O-N 2.89Å; E1491-T1495 PolarHBondContact O-OG1 3.01Å; I1492-T1495 WeakPolarHBondContact CA-OG1 3.02Å; I1492-T1495 PolarHBondContact O-OG1 3.47Å; T1495-L1498 CarbonylContact O-C 3.51Å; T1495-L1498 PolarHBondContact O-N 3.3Å; T1495-K1499 PolarHBondContact O-N 3.42Å; T1495-K1499 VanDerWaalsContact O-N 3.12Å; T1495-F1500 HydrophobicContact CG2-CD2 4.14Å; T1495-F1500 PolarHBondContact O-N 3.39Å; T1495-L1547 HydrophobicContact CG2-CD2 3.87Å
1496	K	71.1	Confident	69.6	Low	160 Å²	160	67.6 Å²	67.6	70%	0.696	32%	0.321	S	S	*	.	H	α-helix	trans	-62.3	-46.7	167.2	-84.5	178.8	176.5	-172	0	111.6	I1492 H1493 V1494 L1498 K1499	I1492-K1496 WeakPolarHBondContact O-CB 3.37Å; I1492-K1496 VanDerWaalsContact O-CG 3.27Å; I1492-K1496 WeakPolarHBondContact O-CG 3.34Å; I1492-K1496 PolarHBondContact O-N 3.15Å; H1493-K1496 WeakPolarHBondContact O-CB 3.48Å; H1493-K1496 PolarHBondContact O-N 2.95Å; V1494-K1496 PolarHBondContact O-N 2.95Å; K1496-L1498 PolarHBondContact O-N 3.36Å; K1496-K1499 PolarHBondContact O-N 3.34Å; K1496-K1499 VanDerWaalsContact O-N 3.16Å
1497	H	80.3	Confident	69.5	Low	19 Å²	19	64.4 Å²	64.4	9%	0.088	31%	0.31	C	S	.	.	H	α-helix	trans	-58.9	-38.1	174	-74.6	-78.5	0	0	0	111.9	C1476 C1479 H1493 V1494 K1499 M1550 R1576	C1476-H1497 PolarHBondContact SG-NE2 2.87Å; C1476-H1497 VanDerWaalsContact SG-NE2 3.41Å; C1479-H1497 PolarHBondContact SG-CE1 3.18Å; H1493-H1497 AromaticContact CD2-CD2 3.58Å; H1493-H1497 AromaticContact CD2-NE2 3.42Å; H1493-H1497 PolarHBondContact CD2-NE2 3.23Å; H1493-H1497 AromaticContact CE1-NE2 3.68Å; H1493-H1497 AromaticContact NE2-CD2 3.62Å; H1493-H1497 AromaticContact NE2-NE2 2.94Å; H1493-H1497 PolarHBondContact NE2-NE2 3.18Å; H1493-H1497 PolarHBondContact O-CD2 2.92Å; H1493-H1497 PolarHBondContact O-N 3.34Å; H1493-H1497 VanDerWaalsContact O-N 3.1Å; V1494-H1497 WeakPolarHBondContact O-CB 3.3Å; V1494-H1497 PolarHBondContact O-N 2.79Å; H1497-K1499 VanDerWaalsContact C-N 3.29Å; H1497-K1499 PolarHBondContact O-N 2.92Å; H1497-M1550 HydrophobicContact CB-CE 3.27Å; H1497-R1576 PolarHBondContact O-NE 2.84Å; H1497-R1576 PolarHBondContact O-NH2 3.38Å
1498	L	78.8	Confident	70.1	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.037	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	7.9	179.9	-64.4	169.5	0	0	0	114.6	V1494 T1495 K1496 F1500 V1546 L1547 M1550 L1575 R1576 L1579	V1494-L1498 HydrophobicContact CG1-CD1 3.92Å; V1494-L1498 WeakPolarHBondContact O-CG 3.34Å; V1494-L1498 PolarHBondContact O-N 3.36Å; T1495-L1498 CarbonylContact O-C 3.51Å; T1495-L1498 PolarHBondContact O-N 3.3Å; K1496-L1498 PolarHBondContact O-N 3.36Å; L1498-F1500 VanDerWaalsContact C-N 3.3Å; L1498-F1500 PolarHBondContact O-N 3.23Å; L1498-V1546 HydrophobicContact CD1-CG1 4.22Å; L1498-V1546 HydrophobicContact CD2-CG1 4.33Å; L1498-L1547 HydrophobicContact CD1-CD2 3.81Å; L1498-M1550 HydrophobicContact CD1-CB 4.18Å; L1498-M1550 HydrophobicContact CD1-CG 4.16Å; L1498-M1550 HydrophobicContact CD2-CB 4.47Å; L1498-M1550 HydrophobicContact CD2-CG 4.11Å; L1498-M1550 HydrophobicContact CG-CG 4.05Å; L1498-L1575 HydrophobicContact CD2-CB 4.16Å; L1498-R1576 HydrophobicContact CD2-CG 4.18Å; L1498-L1579 HydrophobicContact CB-CD2 3.63Å; L1498-L1579 HydrophobicContact CD1-CD2 4.39Å; L1498-L1579 HydrophobicContact CG-CD2 4.44Å; L1498-L1579 WeakPolarHBondContact O-CD2 3.48Å
1499	K	69.9	Low	70.2	Confident	152 Å²	152	63.4 Å²	63.4	66%	0.661	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	33.3	175.8	-60.1	-177.5	177.2	177.4	0	115.5	T1495 K1496 H1497 K1501	T1495-K1499 PolarHBondContact O-N 3.42Å; T1495-K1499 VanDerWaalsContact O-N 3.12Å; K1496-K1499 PolarHBondContact O-N 3.34Å; K1496-K1499 VanDerWaalsContact O-N 3.16Å; H1497-K1499 VanDerWaalsContact C-N 3.29Å; H1497-K1499 PolarHBondContact O-N 2.92Å; K1499-K1501 PolarHBondContact O-N 3.22Å
1500	F	65.3	Low	70.5	Confident	37 Å²	37	66.2 Å²	66.2	16%	0.162	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-62.1	123.9	-175.5	-131.8	-74.8	0	0	0	113.3	T1495 L1498 Y1513 L1543 L1579 L1583	T1495-F1500 HydrophobicContact CG2-CD2 4.14Å; T1495-F1500 PolarHBondContact O-N 3.39Å; L1498-F1500 VanDerWaalsContact C-N 3.3Å; L1498-F1500 PolarHBondContact O-N 3.23Å; F1500-Y1513 WeakPolarHBondContact O-CE1 3.25Å; F1500-L1543 HydrophobicContact CE2-CD1 4.19Å; F1500-L1543 HydrophobicContact CE2-CD2 4.02Å; F1500-L1543 HydrophobicContact CE2-CG 4.43Å; F1500-L1543 HydrophobicContact CZ-CD1 3.89Å; F1500-L1543 HydrophobicContact CZ-CD2 4.03Å; F1500-L1543 HydrophobicContact CZ-CG 4.49Å; F1500-L1579 HydrophobicContact CD2-CD1 4.31Å; F1500-L1579 HydrophobicContact CD2-CD2 3.59Å; F1500-L1579 HydrophobicContact CE2-CD1 3.65Å; F1500-L1579 HydrophobicContact CE2-CD2 3.81Å; F1500-L1579 HydrophobicContact CE2-CG 4.37Å; F1500-L1579 HydrophobicContact CG-CD2 4.5Å; F1500-L1579 HydrophobicContact CZ-CD1 4.32Å; F1500-L1583 HydrophobicContact CE1-CD2 3.96Å; F1500-L1583 HydrophobicContact CZ-CD1 4.49Å; F1500-L1583 HydrophobicContact CZ-CD2 3.83Å
1501	K	60.9	Low	69.9	Low	190 Å²	190	69.6 Å²	69.6	83%	0.826	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-76.9	155.7	175.9	-74.9	-173.3	177.5	-178.5	0	112.6	K1499	K1499-K1501 PolarHBondContact O-N 3.22Å
1502	A	59.5	Low	70	Confident	31 Å²	31	67.6 Å²	67.6	26%	0.256	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-82.5	141.3	-175.3	0	0	0	0	0	114.4	Y1513	A1502-Y1513 HydrophobicContact CB-CD1 3.87Å; A1502-Y1513 HydrophobicContact CB-CD2 4.33Å; A1502-Y1513 HydrophobicContact CB-CE1 3.93Å; A1502-Y1513 HydrophobicContact CB-CE2 4.38Å; A1502-Y1513 HydrophobicContact CB-CG 4.07Å
1503	H	62.3	Low	69.5	Low	66 Å²	66	73.8 Å²	73.8	31%	0.306	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	151.7	173.8	-49.6	-101.8	0	0	0	111.2	K1511 A1512 T1514 A1515 V1518	H1503-K1511 CarbonylContact O-C 3.36Å; H1503-K1511 VanDerWaalsContact O-CA 3.28Å; H1503-K1511 WeakPolarHBondContact O-CA 3.07Å; H1503-A1512 PolarHBondContact N-O 3.48Å; H1503-A1512 PolarHBondContact O-N 3.2Å; H1503-T1514 VanDerWaalsContact CD2-CA 3.42Å; H1503-T1514 WeakPolarHBondContact CD2-CA 3.44Å; H1503-A1515 PolarHBondContact CD2-N 2.96Å; H1503-A1515 PolarHBondContact NE2-N 2.75Å; H1503-V1518 HydrophobicContact CB-CG2 3.85Å
1504	H	65.3	Low	68.5	Low	118 Å²	118	74 Å²	74	55%	0.546	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	151.9	-178.2	57.9	-96.7	0	0	0	112.9	F1510 K1511	H1504-F1510 CarbonylContact C-O 3.35Å; H1504-F1510 WeakPolarHBondContact CA-O 3.4Å; H1504-K1511 HydrophobicContact CB-CG 4.22Å
1505	C	72.2	Confident	67.4	Low	1 Å²	1	74.6 Å²	74.6	1%	0.007	37%	0.368	C	S	.	.			trans	-86.4	117	172.7	-176.5	0	0	0	0	111.6	C1507 C1508 N1509 F1510 V1518 H1521 V1522	C1505-C1507 PolarHBondContact O-N 3.11Å; C1505-C1507 PolarHBondContact SG-N 3.33Å; C1505-C1508 PolarHBondContact O-N 3.44Å; C1505-N1509 WeakPolarHBondContact O-CA 3.43Å; C1505-N1509 PolarHBondContact O-N 2.62Å; C1505-F1510 HydrophobicContact CB-CB 3.99Å; C1505-F1510 PolarHBondContact N-O 3.41Å; C1505-V1518 HydrophobicContact CB-CG1 4Å; C1505-H1521 VanDerWaalsContact SG-CD2 3.54Å; C1505-V1522 VanDerWaalsContact SG-CG2 3.54Å
1506	S	64.1	Low	66.9	Low	92 Å²	92	74.1 Å²	74.1	64%	0.643	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-9.8	177.2	58.1	0	0	0	0	115.5
1507	C	63.6	Low	66.7	Low	34 Å²	34	70.8 Å²	70.8	23%	0.23	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-16.5	-177.9	-71.6	0	0	0	0	114.8	C1505 H1526	C1505-C1507 PolarHBondContact O-N 3.11Å; C1505-C1507 PolarHBondContact SG-N 3.33Å; C1507-H1526 HydrophobicContact CB-CB 4.5Å; C1507-H1526 WeakPolarHBondContact CB-CD2 3.39Å; C1507-H1526 VanDerWaalsContact CB-NE2 3.28Å; C1507-H1526 WeakPolarHBondContact CB-NE2 3.49Å
1508	C	74	Confident	66.1	Low	72 Å²	72	70 Å²	70	49%	0.486	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.7	28.5	166.7	70.7	0	0	0	0	116.2	C1505 F1510 H1521 H1526	C1505-C1508 PolarHBondContact O-N 3.44Å; C1508-F1510 PolarHBondContact O-N 3.19Å; C1508-F1510 VanDerWaalsContact O-N 3.12Å; C1508-H1521 PolarHBondContact SG-CE1 3.02Å; C1508-H1521 PolarHBondContact SG-NE2 2.63Å; C1508-H1526 PolarHBondContact SG-NE2 3.02Å
1509	N	63.8	Low	65.7	Low	97 Å²	97	72.3 Å²	72.3	52%	0.519	35%	0.354	S	S	.	.			trans	61.3	13.7	173.8	-99.4	6.5	0	0	0	117.8	C1505 K1511	C1505-N1509 WeakPolarHBondContact O-CA 3.43Å; C1505-N1509 PolarHBondContact O-N 2.62Å; N1509-K1511 PolarHBondContact O-N 2.72Å
1510	F	74.6	Confident	65.7	Low	82 Å²	82	67.5 Å²	67.5	36%	0.36	34%	0.34	S	S	.	.			trans	-58.5	117.1	171.8	176.4	-92.7	0	0	0	111.9	H1504 C1505 C1508 A1512 R1517 H1521	H1504-F1510 CarbonylContact C-O 3.35Å; H1504-F1510 WeakPolarHBondContact CA-O 3.4Å; C1505-F1510 HydrophobicContact CB-CB 3.99Å; C1505-F1510 PolarHBondContact N-O 3.41Å; C1508-F1510 PolarHBondContact O-N 3.19Å; C1508-F1510 VanDerWaalsContact O-N 3.12Å; F1510-A1512 HydrophobicContact CE1-CB 4.08Å; F1510-R1517 HydrophobicContact CE1-CB 4.48Å; F1510-H1521 VanDerWaalsContact CB-CE1 3.48Å; F1510-H1521 WeakPolarHBondContact CB-CE1 3.42Å; F1510-H1521 WeakPolarHBondContact CB-NE2 3.2Å; F1510-H1521 HydrophobicContact CD1-CB 3.54Å; F1510-H1521 AromaticContact CD1-CD2 3.83Å; F1510-H1521 AromaticContact CD1-CG 3.42Å; F1510-H1521 VanDerWaalsContact CD1-CG 3.42Å; F1510-H1521 AromaticContact CD1-ND1 3.85Å; F1510-H1521 AromaticContact CD2-ND1 3.65Å; F1510-H1521 HydrophobicContact CE1-CB 3.57Å; F1510-H1521 AromaticContact CE1-CG 3.94Å; F1510-H1521 HydrophobicContact CG-CB 4.11Å; F1510-H1521 AromaticContact CG-CD2 3.86Å; F1510-H1521 AromaticContact CG-CE1 3.77Å; F1510-H1521 AromaticContact CG-CG 3.52Å; F1510-H1521 AromaticContact CG-ND1 3.46Å; F1510-H1521 WeakPolarHBondContact CG-ND1 3.17Å; F1510-H1521 HydrophobicContact CZ-CB 4.16Å
1511	K	59.6	Low	66.5	Low	140 Å²	140	67 Å²	67	61%	0.609	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	138.4	-178.9	-60.9	-173.8	179.6	-177	0	112	H1503 H1504 N1509	H1503-K1511 CarbonylContact O-C 3.36Å; H1503-K1511 VanDerWaalsContact O-CA 3.28Å; H1503-K1511 WeakPolarHBondContact O-CA 3.07Å; H1504-K1511 HydrophobicContact CB-CG 4.22Å; N1509-K1511 PolarHBondContact O-N 2.72Å
1512	A	72.9	Confident	67.2	Low	9 Å²	9	58.6 Å²	58.6	7%	0.074	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	145.3	171.4	0	0	0	0	0	113.4	H1503 F1510 T1514 R1517 V1518	H1503-A1512 PolarHBondContact N-O 3.48Å; H1503-A1512 PolarHBondContact O-N 3.2Å; F1510-A1512 HydrophobicContact CE1-CB 4.08Å; A1512-T1514 PolarHBondContact O-N 2.78Å; A1512-R1517 HydrophobicContact CB-CB 3.47Å; A1512-R1517 VanDerWaalsContact CB-CB 3.47Å; A1512-V1518 HydrophobicContact CB-CG2 4.28Å
1513	Y	61.6	Low	67.9	Low	184 Å²	184	61.6 Å²	61.6	72%	0.722	31%	0.311	S	S	*	.	S	Bend	trans	-68	12.4	-179.1	-68.5	-81	0	0	0	116	F1500 A1502	F1500-Y1513 WeakPolarHBondContact O-CE1 3.25Å; A1502-Y1513 HydrophobicContact CB-CD1 3.87Å; A1502-Y1513 HydrophobicContact CB-CD2 4.33Å; A1502-Y1513 HydrophobicContact CB-CE1 3.93Å; A1502-Y1513 HydrophobicContact CB-CE2 4.38Å; A1502-Y1513 HydrophobicContact CB-CG 4.07Å
1514	T	60.1	Low	68.7	Low	25 Å²	25	62.9 Å²	62.9	15%	0.153	33%	0.328	C	S	.	.	S	Bend	trans	-145.5	142.1	167.5	54.8	0	0	0	0	110.9	L1425 H1503 A1512 V1516 R1517 V1518	L1425-T1514 HydrophobicContact CD1-CG2 3.88Å; L1425-T1514 HydrophobicContact CD2-CG2 3.86Å; L1425-T1514 WeakPolarHBondContact CD2-OG1 3.27Å; L1425-T1514 HydrophobicContact CG-CG2 4.3Å; H1503-T1514 VanDerWaalsContact CD2-CA 3.42Å; H1503-T1514 WeakPolarHBondContact CD2-CA 3.44Å; A1512-T1514 PolarHBondContact O-N 2.78Å; T1514-V1516 PolarHBondContact O-N 2.82Å; T1514-V1516 WeakPolarHBondContact OG1-CB 3.5Å; T1514-R1517 PolarHBondContact O-N 3.2Å; T1514-R1517 VanDerWaalsContact O-N 3.12Å; T1514-R1517 PolarHBondContact OG1-N 2.7Å; T1514-V1518 PolarHBondContact O-N 2.75Å
1515	A	60.1	Low	69.1	Low	19 Å²	19	59.6 Å²	59.6	16%	0.157	32%	0.321	C	S	.	.	H	α-helix	trans	-52.8	-27.6	169.4	0	0	0	0	0	112.1	H1503 K1519	H1503-A1515 PolarHBondContact CD2-N 2.96Å; H1503-A1515 PolarHBondContact NE2-N 2.75Å; A1515-K1519 VanDerWaalsContact O-CB 3.23Å; A1515-K1519 WeakPolarHBondContact O-CB 3.27Å; A1515-K1519 PolarHBondContact O-N 3.17Å
1516	V	66	Low	69.4	Low	21 Å²	21	61.3 Å²	61.3	13%	0.127	33%	0.329	C	S	.	.	H	α-helix	trans	-55.8	-55.1	172.4	151.4	0	0	0	0	114.5	S1426 N1427 T1514 V1518 K1519 S1520	S1426-V1516 VanDerWaalsContact CA-CG1 3.42Å; N1427-V1516 HydrophobicContact CB-CG1 4.49Å; N1427-V1516 VanDerWaalsContact N-CG1 3.33Å; T1514-V1516 PolarHBondContact O-N 2.82Å; T1514-V1516 WeakPolarHBondContact OG1-CB 3.5Å; V1516-V1518 VanDerWaalsContact C-N 3.28Å; V1516-V1518 PolarHBondContact O-N 2.91Å; V1516-K1519 PolarHBondContact O-N 3.37Å; V1516-S1520 PolarHBondContact O-N 2.8Å
1517	R	65	Low	69.4	Low	90 Å²	90	61.3 Å²	61.3	34%	0.34	33%	0.327	S	S	.	.	H	α-helix	trans	-68.2	-36	-177.3	-91.9	-173.3	173.1	-162.8	-4.9	109.3	D1421 S1423 L1425 F1510 A1512 T1514 H1521	D1421-R1517 IonicContact OD2-CZ 3.99Å; D1421-R1517 IonicContact OD2-NH1 3.99Å; D1421-R1517 PolarHBondContact OD2-NH1 2.92Å; D1421-R1517 IonicContact OD2-NH2 3.64Å; D1421-R1517 PolarHBondContact OD2-NH2 3Å; S1423-R1517 PolarHBondContact O-NH2 2.9Å; L1425-R1517 HydrophobicContact CD2-CG 4.24Å; F1510-R1517 HydrophobicContact CE1-CB 4.48Å; A1512-R1517 HydrophobicContact CB-CB 3.47Å; A1512-R1517 VanDerWaalsContact CB-CB 3.47Å; T1514-R1517 PolarHBondContact O-N 3.2Å; T1514-R1517 VanDerWaalsContact O-N 3.12Å; T1514-R1517 PolarHBondContact OG1-N 2.7Å; R1517-H1521 VanDerWaalsContact O-CB 3.26Å; R1517-H1521 WeakPolarHBondContact O-CB 3.27Å; R1517-H1521 PolarHBondContact O-N 2.85Å
1518	V	69.4	Low	69.3	Low	4 Å²	4	66.6 Å²	66.6	2%	0.024	35%	0.353	C	S	.	.	H	α-helix	trans	-61.3	-43.5	170.4	-179.9	0	0	0	0	111.8	H1503 C1505 A1512 T1514 V1516 H1521 V1522	H1503-V1518 HydrophobicContact CB-CG2 3.85Å; C1505-V1518 HydrophobicContact CB-CG1 4Å; A1512-V1518 HydrophobicContact CB-CG2 4.28Å; T1514-V1518 PolarHBondContact O-N 2.75Å; V1516-V1518 VanDerWaalsContact C-N 3.28Å; V1516-V1518 PolarHBondContact O-N 2.91Å; V1518-H1521 WeakPolarHBondContact O-CB 3.32Å; V1518-H1521 PolarHBondContact O-N 3.1Å; V1518-V1522 WeakPolarHBondContact O-CG2 3.37Å; V1518-V1522 PolarHBondContact O-N 3.36Å
1519	K	70	Confident	68.3	Low	54 Å²	54	71.3 Å²	71.3	24%	0.235	36%	0.361	C	S	.	.	H	α-helix	trans	-68	-40	178.7	-177.2	163.6	175.9	170.6	0	112.9	S1429 A1515 V1516 H1521 V1522 Q1523	S1429-K1519 PolarHBondContact OG-NZ 3.4Å; A1515-K1519 VanDerWaalsContact O-CB 3.23Å; A1515-K1519 WeakPolarHBondContact O-CB 3.27Å; A1515-K1519 PolarHBondContact O-N 3.17Å; V1516-K1519 PolarHBondContact O-N 3.37Å; K1519-H1521 VanDerWaalsContact C-N 3.3Å; K1519-H1521 PolarHBondContact O-N 2.78Å; K1519-V1522 PolarHBondContact O-N 3.49Å; K1519-Q1523 WeakPolarHBondContact O-CB 3.29Å; K1519-Q1523 VanDerWaalsContact O-CG 3.26Å; K1519-Q1523 WeakPolarHBondContact O-CG 3.33Å; K1519-Q1523 PolarHBondContact O-N 3.43Å
1520	S	69.6	Low	67.2	Low	51 Å²	51	76.2 Å²	76.2	36%	0.357	38%	0.38	S	S	.	.	H	α-helix	trans	-64.1	-37.5	171.9	-165.9	0	0	0	0	111.8	N1427 V1516 S1524	N1427-S1520 WeakPolarHBondContact ND2-CA 3.44Å; N1427-S1520 VanDerWaalsContact ND2-CB 3.3Å; N1427-S1520 WeakPolarHBondContact ND2-CB 3.47Å; N1427-S1520 PolarHBondContact ND2-OG 3.3Å; V1516-S1520 PolarHBondContact O-N 2.8Å; S1520-S1524 WeakPolarHBondContact O-CB 3.5Å; S1520-S1524 PolarHBondContact O-N 3.27Å; S1520-S1524 PolarHBondContact O-OG 2.93Å
1521	H	80.9	Confident	65.5	Low	27 Å²	27	73.9 Å²	73.9	13%	0.125	37%	0.374	C	S	.	.	H	α-helix	trans	-65.5	-47.7	173.8	165.2	85.1	0	0	0	111.5	C1505 C1508 F1510 R1517 V1518 K1519 Q1523 S1524 A1525 H1526	C1505-H1521 VanDerWaalsContact SG-CD2 3.54Å; C1508-H1521 PolarHBondContact SG-CE1 3.02Å; C1508-H1521 PolarHBondContact SG-NE2 2.63Å; F1510-H1521 VanDerWaalsContact CB-CE1 3.48Å; F1510-H1521 WeakPolarHBondContact CB-CE1 3.42Å; F1510-H1521 WeakPolarHBondContact CB-NE2 3.2Å; F1510-H1521 HydrophobicContact CD1-CB 3.54Å; F1510-H1521 AromaticContact CD1-CD2 3.83Å; F1510-H1521 AromaticContact CD1-CG 3.42Å; F1510-H1521 VanDerWaalsContact CD1-CG 3.42Å; F1510-H1521 AromaticContact CD1-ND1 3.85Å; F1510-H1521 AromaticContact CD2-ND1 3.65Å; F1510-H1521 HydrophobicContact CE1-CB 3.57Å; F1510-H1521 AromaticContact CE1-CG 3.94Å; F1510-H1521 HydrophobicContact CG-CB 4.11Å; F1510-H1521 AromaticContact CG-CD2 3.86Å; F1510-H1521 AromaticContact CG-CE1 3.77Å; F1510-H1521 AromaticContact CG-CG 3.52Å; F1510-H1521 AromaticContact CG-ND1 3.46Å; F1510-H1521 WeakPolarHBondContact CG-ND1 3.17Å; F1510-H1521 HydrophobicContact CZ-CB 4.16Å; R1517-H1521 VanDerWaalsContact O-CB 3.26Å; R1517-H1521 WeakPolarHBondContact O-CB 3.27Å; R1517-H1521 PolarHBondContact O-N 2.85Å; V1518-H1521 WeakPolarHBondContact O-CB 3.32Å; V1518-H1521 PolarHBondContact O-N 3.1Å; K1519-H1521 VanDerWaalsContact C-N 3.3Å; K1519-H1521 PolarHBondContact O-N 2.78Å; H1521-Q1523 VanDerWaalsContact C-N 3.34Å; H1521-Q1523 PolarHBondContact O-N 3.38Å; H1521-S1524 PolarHBondContact O-N 2.82Å; H1521-S1524 VanDerWaalsContact O-N 3.09Å; H1521-S1524 PolarHBondContact O-OG 3.25Å; H1521-S1524 VanDerWaalsContact O-OG 3.1Å; H1521-A1525 WeakPolarHBondContact O-CB 3.39Å; H1521-A1525 PolarHBondContact O-N 3.48Å; H1521-H1526 AromaticContact NE2-CD2 3.95Å; H1521-H1526 AromaticContact NE2-NE2 3.57Å
1522	V	75.6	Confident	64.5	Low	14 Å²	14	75.6 Å²	75.6	9%	0.085	38%	0.383	C	S	.	.	H	α-helix	trans	-57	-46.7	174.3	166.6	0	0	0	0	111.2	C1505 V1518 K1519 S1524 H1526 C1531 V1533	C1505-V1522 VanDerWaalsContact SG-CG2 3.54Å; V1518-V1522 WeakPolarHBondContact O-CG2 3.37Å; V1518-V1522 PolarHBondContact O-N 3.36Å; K1519-V1522 PolarHBondContact O-N 3.49Å; V1522-S1524 PolarHBondContact O-N 2.64Å; V1522-S1524 VanDerWaalsContact O-N 3.14Å; V1522-H1526 HydrophobicContact CG1-CB 4.48Å; V1522-H1526 CarbonylContact O-C 3.52Å; V1522-H1526 VanDerWaalsContact O-C 3.3Å; V1522-H1526 WeakPolarHBondContact O-CA 3.21Å; V1522-H1526 PolarHBondContact O-N 2.98Å; V1522-C1531 VanDerWaalsContact CG1-SG 3.52Å; V1522-V1533 HydrophobicContact CG2-CG2 4.1Å
1523	Q	75.8	Confident	63.1	Low	93 Å²	93	77.4 Å²	77.4	44%	0.435	39%	0.393	S	S	.	.	H	α-helix	trans	-64.7	-14.7	179.2	-73.9	173.9	-30.1	0	0	114.4	N1427 K1519 H1521	N1427-Q1523 PolarHBondContact ND2-OE1 3.4Å; K1519-Q1523 WeakPolarHBondContact O-CB 3.29Å; K1519-Q1523 VanDerWaalsContact O-CG 3.26Å; K1519-Q1523 WeakPolarHBondContact O-CG 3.33Å; K1519-Q1523 PolarHBondContact O-N 3.43Å; H1521-Q1523 VanDerWaalsContact C-N 3.34Å; H1521-Q1523 PolarHBondContact O-N 3.38Å
1524	S	77.9	Confident	61.8	Low	93 Å²	93	72.2 Å²	72.2	65%	0.65	38%	0.378	S	S	*	.	H	α-helix	trans	-113.4	-32.3	-179	51.9	0	0	0	0	114.1	S1520 H1521 V1522	S1520-S1524 WeakPolarHBondContact O-CB 3.5Å; S1520-S1524 PolarHBondContact O-N 3.27Å; S1520-S1524 PolarHBondContact O-OG 2.93Å; H1521-S1524 PolarHBondContact O-N 2.82Å; H1521-S1524 VanDerWaalsContact O-N 3.09Å; H1521-S1524 PolarHBondContact O-OG 3.25Å; H1521-S1524 VanDerWaalsContact O-OG 3.1Å; V1522-S1524 PolarHBondContact O-N 2.64Å; V1522-S1524 VanDerWaalsContact O-N 3.14Å
1525	A	75.1	Confident	60.4	Low	50 Å²	50	75.7 Å²	75.7	41%	0.413	40%	0.404	S	S	.	.	H	α-helix	trans	-98.8	-23.1	179.9	0	0	0	0	0	113.8	H1521 P1527	H1521-A1525 WeakPolarHBondContact O-CB 3.39Å; H1521-A1525 PolarHBondContact O-N 3.48Å; A1525-P1527 VanDerWaalsContact C-CD 3.45Å
1526	H	78.4	Confident	59	Low	36 Å²	36	77.3 Å²	77.3	17%	0.167	41%	0.409	C	S	.	.			trans	-132.5	45.8	-174.1	-53.2	-51.4	0	0	0	113.6	C1507 C1508 H1521 V1522 D1528 R1529	C1507-H1526 HydrophobicContact CB-CB 4.5Å; C1507-H1526 WeakPolarHBondContact CB-CD2 3.39Å; C1507-H1526 VanDerWaalsContact CB-NE2 3.28Å; C1507-H1526 WeakPolarHBondContact CB-NE2 3.49Å; C1508-H1526 PolarHBondContact SG-NE2 3.02Å; H1521-H1526 AromaticContact NE2-CD2 3.95Å; H1521-H1526 AromaticContact NE2-NE2 3.57Å; V1522-H1526 HydrophobicContact CG1-CB 4.48Å; V1522-H1526 CarbonylContact O-C 3.52Å; V1522-H1526 VanDerWaalsContact O-C 3.3Å; V1522-H1526 WeakPolarHBondContact O-CA 3.21Å; V1522-H1526 PolarHBondContact O-N 2.98Å; H1526-D1528 PolarHBondContact O-N 2.86Å; H1526-D1528 VanDerWaalsContact O-N 3.16Å; H1526-R1529 PolarHBondContact O-N 2.93Å; H1526-R1529 VanDerWaalsContact O-N 3.14Å
1527	P	63.5	Low	57.5	Low	92 Å²	92	79.7 Å²	79.7	60%	0.597	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.3	-172.7	28.6	-37.4	0	0	0	114.4	A1525	A1525-P1527 VanDerWaalsContact C-CD 3.45Å
1528	D	60.6	Low	56.1	Low	146 Å²	146	80.8 Å²	80.8	78%	0.781	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	9.5	-179	-57.9	-58.6	0	0	0	113.6	H1526	H1526-D1528 PolarHBondContact O-N 2.86Å; H1526-D1528 VanDerWaalsContact O-N 3.16Å
1529	R	54.6	Low	55.3	Low	171 Å²	171	84.8 Å²	84.8	65%	0.645	47%	0.466	S	S	*	.			trans	-125	114.6	172.9	-88.6	-172.8	167.4	-168.7	-4.3	111.2	H1526 C1531	H1526-R1529 PolarHBondContact O-N 2.93Å; H1526-R1529 VanDerWaalsContact O-N 3.14Å; R1529-C1531 PolarHBondContact O-N 2.9Å
1530	E	40.5	Very low	55	Low	200 Å²	200	84 Å²	84	94%	0.935	47%	0.466	S	S	*	.			trans	-70.7	76.8	160.6	-65.1	-173.7	154.5	0	0	109.3
1531	C	38.5	Very low	54.9	Low	32 Å²	32	86.8 Å²	86.8	22%	0.216	48%	0.483	C	S	.	.			trans	-78.4	132.3	167.8	73.2	0	0	0	0	109.6	V1522 R1529 V1533	V1522-C1531 VanDerWaalsContact CG1-SG 3.52Å; R1529-C1531 PolarHBondContact O-N 2.9Å; C1531-V1533 VanDerWaalsContact C-N 3.26Å; C1531-V1533 PolarHBondContact O-N 3.25Å
1532	H	38	Very low	54.6	Low	176 Å²	176	86 Å²	86	82%	0.815	48%	0.482	S	S	*	.			trans	-67	88.1	166.8	-71.8	-96.5	0	0	0	109.3	N1534	H1532-N1534 VanDerWaalsContact C-N 3.29Å; H1532-N1534 PolarHBondContact O-N 3.37Å; H1532-N1534 VanDerWaalsContact O-N 3.12Å
1533	V	44.7	Very low	54.6	Low	47 Å²	47	85.5 Å²	85.5	29%	0.285	48%	0.479	S	S	.	.			trans	-69.9	97.9	152.6	-177.6	0	0	0	0	104.9	V1522 C1531 S1535	V1522-V1533 HydrophobicContact CG2-CG2 4.1Å; C1531-V1533 VanDerWaalsContact C-N 3.26Å; C1531-V1533 PolarHBondContact O-N 3.25Å; V1533-S1535 PolarHBondContact O-N 2.7Å
1534	N	33.3	Very low	54.5	Low	75 Å²	75	85.2 Å²	85.2	40%	0.401	48%	0.476	S	S	.	.			trans	-50.8	117.6	177.1	-73.9	-13.1	0	0	0	108.5	H1532 L1536 F1590	H1532-N1534 VanDerWaalsContact C-N 3.29Å; H1532-N1534 PolarHBondContact O-N 3.37Å; H1532-N1534 VanDerWaalsContact O-N 3.12Å; N1534-L1536 VanDerWaalsContact C-N 3.27Å; N1534-L1536 PolarHBondContact O-N 2.74Å; N1534-F1590 HydrophobicContact CB-CD1 4.34Å; N1534-F1590 HydrophobicContact CB-CE1 4.3Å; N1534-F1590 WeakPolarHBondContact ND2-CD1 3.32Å; N1534-F1590 WeakPolarHBondContact ND2-CG 3.32Å
1535	S	31.9	Very low	54.7	Low	99 Å²	99	85.5 Å²	85.5	69%	0.692	47%	0.467	S	S	*	.			trans	-85	69.8	-162.1	55.4	0	0	0	0	111.8	V1533 G1537	V1533-S1535 PolarHBondContact O-N 2.7Å; S1535-G1537 PolarHBondContact O-N 2.92Å
1536	L	30.4	Very low	55.1	Low	52 Å²	52	83.2 Å²	83.2	27%	0.272	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	63.6	151.6	-85.1	77.9	0	0	0	109.4	N1534 L1586 F1590	N1534-L1536 VanDerWaalsContact C-N 3.27Å; N1534-L1536 PolarHBondContact O-N 2.74Å; L1536-L1586 HydrophobicContact CD1-CD2 4.32Å; L1536-L1586 HydrophobicContact CD2-CD1 3.74Å; L1536-L1586 HydrophobicContact CD2-CD2 3.82Å; L1536-L1586 HydrophobicContact CD2-CG 4.36Å; L1536-L1586 HydrophobicContact CG-CD2 4.42Å; L1536-F1590 HydrophobicContact CD1-CE2 4.01Å
1537	G	33.1	Very low	55.4	Low	71 Å²	71	82.2 Å²	82.2	73%	0.732	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-31.5	150.6	0	0	0	0	0	109.8	S1535	S1535-G1537 PolarHBondContact O-N 2.92Å
1538	D	36.8	Very low	56.3	Low	113 Å²	113	81.2 Å²	81.2	60%	0.604	44%	0.437	S	S	*	.	S	Bend	trans	-85.7	111.2	159.5	-76.3	-68.9	0	0	0	110.3	K1544	D1538-K1544 IonicContact OD1-NZ 2.69Å; D1538-K1544 PolarHBondContact OD1-NZ 3.34Å
1539	Y	51.3	Low	57.5	Low	88 Å²	88	76.8 Å²	76.8	35%	0.345	41%	0.413	S	S	.	.			trans	-52.7	139.3	148.3	-59.9	-57.2	0	0	0	108.6	L1543 K1544 L1547	Y1539-L1543 HydrophobicContact CD1-CD2 3.47Å; Y1539-L1543 VanDerWaalsContact CD1-CD2 3.47Å; Y1539-L1543 HydrophobicContact CE1-CD2 4.07Å; Y1539-L1543 HydrophobicContact CG-CD2 3.91Å; Y1539-K1544 HydrophobicContact CD2-CG 4.38Å; Y1539-K1544 HydrophobicContact CG-CG 4.48Å; Y1539-K1544 WeakPolarHBondContact O-CE 3.39Å; Y1539-K1544 PolarHBondContact O-NZ 3.2Å; Y1539-L1547 HydrophobicContact CD2-CD1 4.14Å; Y1539-L1547 HydrophobicContact CE1-CD1 4.38Å; Y1539-L1547 HydrophobicContact CE2-CD1 3.96Å; Y1539-L1547 HydrophobicContact CG-CD1 4.43Å
1540	T	64.7	Low	58.9	Low	39 Å²	39	68.6 Å²	68.6	24%	0.239	38%	0.382	C	S	.	.			trans	-54.5	153.8	170.4	31.6	0	0	0	0	111	G1542 L1543 K1544 E1582 L1586	T1540-G1542 VanDerWaalsContact C-N 3.29Å; T1540-G1542 PolarHBondContact O-N 3.22Å; T1540-L1543 PolarHBondContact O-N 3.14Å; T1540-L1543 VanDerWaalsContact O-N 3.13Å; T1540-L1543 VanDerWaalsContact OG1-CB 3.23Å; T1540-L1543 WeakPolarHBondContact OG1-CB 3.34Å; T1540-K1544 WeakPolarHBondContact O-CG 3.39Å; T1540-K1544 PolarHBondContact O-N 2.81Å; T1540-E1582 VanDerWaalsContact CB-OE2 3.23Å; T1540-E1582 WeakPolarHBondContact CB-OE2 3.41Å; T1540-E1582 PolarHBondContact OG1-OE2 3.08Å; T1540-L1586 HydrophobicContact CG2-CD1 4.34Å; T1540-L1586 HydrophobicContact CG2-CD2 3.6Å; T1540-L1586 HydrophobicContact CG2-CG 4.05Å
1541	P	66.6	Low	60.9	Low	109 Å²	109	62.1 Å²	62.1	71%	0.708	35%	0.349	S	S	*	.	H	α-helix	trans	-55.2	-44	179.1	20.5	-31.4	0	0	0	112.1	K1544 E1545	P1541-K1544 WeakPolarHBondContact O-CB 3.46Å; P1541-K1544 PolarHBondContact O-N 2.89Å; P1541-E1545 WeakPolarHBondContact O-CB 3.05Å; P1541-E1545 PolarHBondContact O-N 3.36Å
1542	G	75.7	Confident	62.9	Low	11 Å²	11	63.3 Å²	63.3	11%	0.113	36%	0.361	C	S	.	.	H	α-helix	trans	-65.4	-37	175.8	0	0	0	0	0	113.6	T1540 E1545 V1546 E1582	T1540-G1542 VanDerWaalsContact C-N 3.29Å; T1540-G1542 PolarHBondContact O-N 3.22Å; G1542-E1545 CarbonylContact O-C 3.5Å; G1542-E1545 WeakPolarHBondContact O-CA 3.49Å; G1542-E1545 VanDerWaalsContact O-CB 3.25Å; G1542-E1545 WeakPolarHBondContact O-CB 3.47Å; G1542-E1545 PolarHBondContact O-N 3.39Å; G1542-E1545 VanDerWaalsContact O-N 3.13Å; G1542-V1546 WeakPolarHBondContact O-CG2 3.44Å; G1542-V1546 PolarHBondContact O-N 3.34Å; G1542-E1582 WeakPolarHBondContact CA-OE1 3.36Å
1543	L	74.7	Confident	65	Low	2 Å²	2	56 Å²	56	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-72.3	-29.2	175.2	-159.3	147	0	0	0	112.4	F1500 Y1539 T1540 L1547 L1579 E1582 L1583 L1586	F1500-L1543 HydrophobicContact CE2-CD1 4.19Å; F1500-L1543 HydrophobicContact CE2-CD2 4.02Å; F1500-L1543 HydrophobicContact CE2-CG 4.43Å; F1500-L1543 HydrophobicContact CZ-CD1 3.89Å; F1500-L1543 HydrophobicContact CZ-CD2 4.03Å; F1500-L1543 HydrophobicContact CZ-CG 4.49Å; Y1539-L1543 HydrophobicContact CD1-CD2 3.47Å; Y1539-L1543 VanDerWaalsContact CD1-CD2 3.47Å; Y1539-L1543 HydrophobicContact CE1-CD2 4.07Å; Y1539-L1543 HydrophobicContact CG-CD2 3.91Å; T1540-L1543 PolarHBondContact O-N 3.14Å; T1540-L1543 VanDerWaalsContact O-N 3.13Å; T1540-L1543 VanDerWaalsContact OG1-CB 3.23Å; T1540-L1543 WeakPolarHBondContact OG1-CB 3.34Å; L1543-L1547 HydrophobicContact CD2-CD1 3.89Å; L1543-L1547 HydrophobicContact CD2-CG 4.41Å; L1543-L1547 WeakPolarHBondContact O-CB 3.49Å; L1543-L1547 VanDerWaalsContact O-CG 3.24Å; L1543-L1547 WeakPolarHBondContact O-CG 3.44Å; L1543-L1547 PolarHBondContact O-N 3.41Å; L1543-L1547 VanDerWaalsContact O-N 3.17Å; L1543-L1579 HydrophobicContact CD1-CD1 3.51Å; L1543-L1579 HydrophobicContact CG-CD1 3.73Å; L1543-E1582 HydrophobicContact CB-CB 4.35Å; L1543-E1582 HydrophobicContact CB-CG 4.37Å; L1543-E1582 WeakPolarHBondContact CB-OE2 3.38Å; L1543-E1582 HydrophobicContact CD1-CB 4.23Å; L1543-E1582 PolarHBondContact N-OE2 3.26Å; L1543-L1583 HydrophobicContact CD1-CD2 3.93Å; L1543-L1583 HydrophobicContact CD1-CG 4.35Å; L1543-L1586 HydrophobicContact CD1-CD1 3.8Å
1544	K	74.8	Confident	66.6	Low	87 Å²	87	53.8 Å²	53.8	38%	0.378	31%	0.314	S	S	.	.	H	α-helix	trans	-66.2	-37.9	165.6	-68.3	174.1	175.5	154.3	0	111.2	D1538 Y1539 T1540 P1541 T1548	D1538-K1544 IonicContact OD1-NZ 2.69Å; D1538-K1544 PolarHBondContact OD1-NZ 3.34Å; Y1539-K1544 HydrophobicContact CD2-CG 4.38Å; Y1539-K1544 HydrophobicContact CG-CG 4.48Å; Y1539-K1544 WeakPolarHBondContact O-CE 3.39Å; Y1539-K1544 PolarHBondContact O-NZ 3.2Å; T1540-K1544 WeakPolarHBondContact O-CG 3.39Å; T1540-K1544 PolarHBondContact O-N 2.81Å; P1541-K1544 WeakPolarHBondContact O-CB 3.46Å; P1541-K1544 PolarHBondContact O-N 2.89Å; K1544-T1548 WeakPolarHBondContact O-CB 3.28Å; K1544-T1548 PolarHBondContact O-N 3.42Å; K1544-T1548 VanDerWaalsContact O-N 3.13Å; K1544-T1548 PolarHBondContact O-OG1 3.33Å
1545	E	81	Confident	69	Low	99 Å²	99	51.8 Å²	51.8	46%	0.463	30%	0.302	S	S	.	.	H	α-helix	trans	-64.8	-53.2	176.5	-162.3	-174	133.8	0	0	111	P1541 G1542 L1547 T1548 D1549 R1578	P1541-E1545 WeakPolarHBondContact O-CB 3.05Å; P1541-E1545 PolarHBondContact O-N 3.36Å; G1542-E1545 CarbonylContact O-C 3.5Å; G1542-E1545 WeakPolarHBondContact O-CA 3.49Å; G1542-E1545 VanDerWaalsContact O-CB 3.25Å; G1542-E1545 WeakPolarHBondContact O-CB 3.47Å; G1542-E1545 PolarHBondContact O-N 3.39Å; G1542-E1545 VanDerWaalsContact O-N 3.13Å; E1545-L1547 VanDerWaalsContact C-N 3.31Å; E1545-L1547 PolarHBondContact O-N 2.94Å; E1545-T1548 CarbonylContact O-C 3.3Å; E1545-T1548 WeakPolarHBondContact O-CA 3.46Å; E1545-T1548 WeakPolarHBondContact O-CB 3.39Å; E1545-T1548 PolarHBondContact O-N 3.17Å; E1545-D1549 PolarHBondContact O-N 3.1Å; E1545-R1578 IonicContact OE1-CZ 3.13Å; E1545-R1578 IonicContact OE1-NH2 3.49Å; E1545-R1578 PolarHBondContact OE1-NH2 3.41Å
1546	V	84.5	Confident	70.8	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-58.5	-38.7	177.3	172.9	0	0	0	0	112.3	L1498 G1542 T1548 M1550 L1575 R1578 L1579	L1498-V1546 HydrophobicContact CD1-CG1 4.22Å; L1498-V1546 HydrophobicContact CD2-CG1 4.33Å; G1542-V1546 WeakPolarHBondContact O-CG2 3.44Å; G1542-V1546 PolarHBondContact O-N 3.34Å; V1546-T1548 VanDerWaalsContact C-N 3.25Å; V1546-T1548 PolarHBondContact O-N 2.92Å; V1546-M1550 WeakPolarHBondContact O-CB 3.35Å; V1546-M1550 PolarHBondContact O-N 3Å; V1546-L1575 HydrophobicContact CG1-CB 4.2Å; V1546-L1575 HydrophobicContact CG1-CD2 4.41Å; V1546-L1575 WeakPolarHBondContact CG1-O 3.47Å; V1546-R1578 HydrophobicContact CG2-CB 3.78Å; V1546-L1579 HydrophobicContact CG1-CB 4.07Å
1547	L	83.3	Confident	72.4	Confident	16 Å²	16	55.3 Å²	55.3	8%	0.084	32%	0.323	C	S	.	.	H	α-helix	trans	-67.7	-23.1	172.3	-72.9	172.5	0	0	0	113.5	V1494 T1495 L1498 Y1539 L1543 E1545 R1551	V1494-L1547 HydrophobicContact CG1-CD2 3.74Å; T1495-L1547 HydrophobicContact CG2-CD2 3.87Å; L1498-L1547 HydrophobicContact CD1-CD2 3.81Å; Y1539-L1547 HydrophobicContact CD2-CD1 4.14Å; Y1539-L1547 HydrophobicContact CE1-CD1 4.38Å; Y1539-L1547 HydrophobicContact CE2-CD1 3.96Å; Y1539-L1547 HydrophobicContact CG-CD1 4.43Å; L1543-L1547 HydrophobicContact CD2-CD1 3.89Å; L1543-L1547 HydrophobicContact CD2-CG 4.41Å; L1543-L1547 WeakPolarHBondContact O-CB 3.49Å; L1543-L1547 VanDerWaalsContact O-CG 3.24Å; L1543-L1547 WeakPolarHBondContact O-CG 3.44Å; L1543-L1547 PolarHBondContact O-N 3.41Å; L1543-L1547 VanDerWaalsContact O-N 3.17Å; E1545-L1547 VanDerWaalsContact C-N 3.31Å; E1545-L1547 PolarHBondContact O-N 2.94Å; L1547-R1551 PolarHBondContact O-N 2.99Å
1548	T	82.7	Confident	73.6	Confident	71 Å²	71	54.8 Å²	54.8	44%	0.436	32%	0.317	S	S	.	.	H	α-helix	trans	-88.7	-43.4	179.6	-60.2	0	0	0	0	111.4	K1544 E1545 V1546 M1550 R1551 A1552	K1544-T1548 WeakPolarHBondContact O-CB 3.28Å; K1544-T1548 PolarHBondContact O-N 3.42Å; K1544-T1548 VanDerWaalsContact O-N 3.13Å; K1544-T1548 PolarHBondContact O-OG1 3.33Å; E1545-T1548 CarbonylContact O-C 3.3Å; E1545-T1548 WeakPolarHBondContact O-CA 3.46Å; E1545-T1548 WeakPolarHBondContact O-CB 3.39Å; E1545-T1548 PolarHBondContact O-N 3.17Å; V1546-T1548 VanDerWaalsContact C-N 3.25Å; V1546-T1548 PolarHBondContact O-N 2.92Å; T1548-M1550 VanDerWaalsContact C-N 3.29Å; T1548-M1550 PolarHBondContact O-N 2.92Å; T1548-R1551 VanDerWaalsContact O-CB 3.32Å; T1548-R1551 WeakPolarHBondContact O-CB 3.49Å; T1548-R1551 PolarHBondContact O-N 2.56Å; T1548-R1551 VanDerWaalsContact O-N 3.13Å; T1548-A1552 PolarHBondContact O-N 2.97Å
1549	D	86.1	Confident	73.9	Confident	52 Å²	52	54.9 Å²	54.9	28%	0.278	33%	0.327	S	S	.	.	H	α-helix	trans	-59.9	-43.2	170.5	-65.3	-12.6	0	0	0	109.9	E1545 R1551 A1552 L1553 L1575 R1578	E1545-D1549 PolarHBondContact O-N 3.1Å; D1549-R1551 PolarHBondContact O-N 2.73Å; D1549-A1552 CarbonylContact O-C 3.53Å; D1549-A1552 WeakPolarHBondContact O-CA 3.36Å; D1549-A1552 VanDerWaalsContact O-CB 3.31Å; D1549-A1552 WeakPolarHBondContact O-CB 3.48Å; D1549-A1552 PolarHBondContact O-N 3.07Å; D1549-L1553 WeakPolarHBondContact O-CG 3.42Å; D1549-L1553 PolarHBondContact O-N 3.44Å; D1549-L1575 HydrophobicContact CB-CD1 3.6Å; D1549-L1575 HydrophobicContact CB-CD2 3.68Å; D1549-L1575 HydrophobicContact CB-CG 4.32Å; D1549-R1578 IonicContact OD2-CZ 2.7Å; D1549-R1578 IonicContact OD2-NH1 3.85Å; D1549-R1578 PolarHBondContact OD2-NH1 3.33Å; D1549-R1578 IonicContact OD2-NH2 3.06Å
1550	M	85.4	Confident	73.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-68.7	-25.9	178.4	-170.2	53.4	174.7	0	0	112.3	V1478 V1494 H1497 L1498 V1546 T1548 L1553 C1554 V1572 L1575	V1478-M1550 HydrophobicContact CG1-CE 4.46Å; V1478-M1550 HydrophobicContact CG2-CE 4.38Å; V1494-M1550 HydrophobicContact CG1-CB 3.87Å; V1494-M1550 HydrophobicContact CG1-CG 3.72Å; H1497-M1550 HydrophobicContact CB-CE 3.27Å; L1498-M1550 HydrophobicContact CD1-CB 4.18Å; L1498-M1550 HydrophobicContact CD1-CG 4.16Å; L1498-M1550 HydrophobicContact CD2-CB 4.47Å; L1498-M1550 HydrophobicContact CD2-CG 4.11Å; L1498-M1550 HydrophobicContact CG-CG 4.05Å; V1546-M1550 WeakPolarHBondContact O-CB 3.35Å; V1546-M1550 PolarHBondContact O-N 3Å; T1548-M1550 VanDerWaalsContact C-N 3.29Å; T1548-M1550 PolarHBondContact O-N 2.92Å; M1550-L1553 HydrophobicContact SD-CB 4.13Å; M1550-L1553 HydrophobicContact SD-CD1 4.04Å; M1550-L1553 HydrophobicContact SD-CG 4.48Å; M1550-C1554 VanDerWaalsContact O-CB 3.27Å; M1550-C1554 WeakPolarHBondContact O-CB 3.35Å; M1550-C1554 PolarHBondContact O-N 3.2Å; M1550-C1554 PolarHBondContact O-SG 2.8Å; M1550-V1572 HydrophobicContact CE-CB 4.26Å; M1550-V1572 HydrophobicContact CE-CG1 3.64Å; M1550-V1572 HydrophobicContact CE-CG2 3.76Å; M1550-V1572 HydrophobicContact SD-CB 4.5Å; M1550-V1572 HydrophobicContact SD-CG1 4.38Å; M1550-V1572 HydrophobicContact SD-CG2 3.89Å; M1550-L1575 VanDerWaalsContact CA-CD1 3.46Å; M1550-L1575 HydrophobicContact CB-CD1 3.7Å; M1550-L1575 HydrophobicContact CG-CD1 4.45Å; M1550-L1575 VanDerWaalsContact N-CD1 3.26Å; M1550-L1575 HydrophobicContact SD-CD1 4.07Å
1551	R	81.6	Confident	72.3	Confident	64 Å²	64	58 Å²	58	24%	0.242	37%	0.366	C	S	.	.	H	α-helix	trans	-66.7	-40.8	166.5	-177.6	-171.6	-67.2	119.7	6.1	111	W1490 E1491 L1547 T1548 D1549 C1554 F1555	W1490-R1551 VanDerWaalsContact CZ2-CZ 3.49Å; W1490-R1551 HydrophobicContact CZ3-CG 4.46Å; W1490-R1551 VanDerWaalsContact CZ3-NE 3.26Å; E1491-R1551 IonicContact OE1-NH2 2.69Å; L1547-R1551 PolarHBondContact O-N 2.99Å; T1548-R1551 VanDerWaalsContact O-CB 3.32Å; T1548-R1551 WeakPolarHBondContact O-CB 3.49Å; T1548-R1551 PolarHBondContact O-N 2.56Å; T1548-R1551 VanDerWaalsContact O-N 3.13Å; D1549-R1551 PolarHBondContact O-N 2.73Å; R1551-C1554 PolarHBondContact O-N 3.01Å; R1551-F1555 HydrophobicContact CG-CD2 4.18Å; R1551-F1555 PolarHBondContact O-N 3.15Å
1552	A	80.5	Confident	71.3	Confident	57 Å²	57	62 Å²	62	47%	0.471	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-38.1	176.8	0	0	0	0	0	112.4	T1548 D1549 F1555 P1556	T1548-A1552 PolarHBondContact O-N 2.97Å; D1549-A1552 CarbonylContact O-C 3.53Å; D1549-A1552 WeakPolarHBondContact O-CA 3.36Å; D1549-A1552 VanDerWaalsContact O-CB 3.31Å; D1549-A1552 WeakPolarHBondContact O-CB 3.48Å; D1549-A1552 PolarHBondContact O-N 3.07Å; A1552-F1555 CarbonylContact O-C 3.28Å; A1552-F1555 VanDerWaalsContact O-C 3.32Å; A1552-P1556 VanDerWaalsContact O-CA 3.31Å; A1552-P1556 WeakPolarHBondContact O-CA 3.48Å; A1552-P1556 VanDerWaalsContact O-N 3.11Å
1553	L	81.2	Confident	69.9	Low	23 Å²	23	69.2 Å²	69.2	12%	0.12	41%	0.406	C	S	.	.	H	α-helix	trans	-68.4	-41.3	172.4	-56.5	-168.1	0	0	0	112.6	V1478 D1549 M1550 F1555 Q1571 V1572 L1575	V1478-L1553 HydrophobicContact CG2-CB 4.36Å; D1549-L1553 WeakPolarHBondContact O-CG 3.42Å; D1549-L1553 PolarHBondContact O-N 3.44Å; M1550-L1553 HydrophobicContact SD-CB 4.13Å; M1550-L1553 HydrophobicContact SD-CD1 4.04Å; M1550-L1553 HydrophobicContact SD-CG 4.48Å; L1553-F1555 VanDerWaalsContact C-N 3.31Å; L1553-F1555 PolarHBondContact O-N 3.38Å; L1553-Q1571 HydrophobicContact CD1-CB 3.55Å; L1553-Q1571 WeakPolarHBondContact CD1-O 3.05Å; L1553-Q1571 HydrophobicContact CD2-CB 3.88Å; L1553-Q1571 HydrophobicContact CG-CB 4.39Å; L1553-V1572 HydrophobicContact CB-CG2 4.38Å; L1553-V1572 HydrophobicContact CD1-CB 4.43Å; L1553-V1572 HydrophobicContact CD1-CG2 3.7Å; L1553-L1575 HydrophobicContact CD1-CD1 3.52Å; L1553-L1575 HydrophobicContact CD1-CG 4.24Å; L1553-L1575 HydrophobicContact CG-CD1 3.99Å
1554	C	79.3	Confident	68.9	Low	0 Å²	0	74.9 Å²	74.9	0%	0	44%	0.436	C	S	.	.	H	α-helix	trans	-66.9	-32.1	176.9	-72.4	0	0	0	0	112.4	C1476 H1477 M1550 R1551	C1476-C1554 CarbonylContact C-O 3.26Å; C1476-C1554 VanDerWaalsContact CA-O 3.31Å; C1476-C1554 WeakPolarHBondContact CA-O 3.43Å; H1477-C1554 PolarHBondContact N-O 3.29Å; M1550-C1554 VanDerWaalsContact O-CB 3.27Å; M1550-C1554 WeakPolarHBondContact O-CB 3.35Å; M1550-C1554 PolarHBondContact O-N 3.2Å; M1550-C1554 PolarHBondContact O-SG 2.8Å; R1551-C1554 PolarHBondContact O-N 3.01Å
1555	F	83.1	Confident	68.1	Low	33 Å²	33	75.8 Å²	75.8	15%	0.145	45%	0.449	C	S	.	.	S	Bend	trans	-142.9	72.9	-173.6	-50.6	-74.2	0	0	0	110.9	L1474 C1476 V1483 R1551 A1552 L1553 V1557	L1474-F1555 HydrophobicContact CB-CD1 3.92Å; L1474-F1555 HydrophobicContact CB-CE1 3.7Å; C1476-F1555 HydrophobicContact CB-CE1 4Å; C1476-F1555 HydrophobicContact CB-CZ 4.09Å; V1483-F1555 HydrophobicContact CB-CE1 4.32Å; V1483-F1555 HydrophobicContact CB-CZ 3.93Å; V1483-F1555 HydrophobicContact CG1-CZ 4.29Å; V1483-F1555 HydrophobicContact CG2-CE1 4.39Å; V1483-F1555 HydrophobicContact CG2-CZ 3.92Å; R1551-F1555 HydrophobicContact CG-CD2 4.18Å; R1551-F1555 PolarHBondContact O-N 3.15Å; A1552-F1555 CarbonylContact O-C 3.28Å; A1552-F1555 VanDerWaalsContact O-C 3.32Å; L1553-F1555 VanDerWaalsContact C-N 3.31Å; L1553-F1555 PolarHBondContact O-N 3.38Å; F1555-V1557 PolarHBondContact O-N 2.99Å
1556	P	69.9	Low	67.2	Low	66 Å²	66	75 Å²	75	43%	0.429	46%	0.459	S	S	.	.			trans	-64.1	126.1	-179.8	25.4	-33.9	0	0	0	110.8	H1477 A1552 G1558	H1477-P1556 HydrophobicContact CB-CG 4.35Å; A1552-P1556 VanDerWaalsContact O-CA 3.31Å; A1552-P1556 WeakPolarHBondContact O-CA 3.48Å; A1552-P1556 VanDerWaalsContact O-N 3.11Å; P1556-G1558 VanDerWaalsContact C-N 3.26Å; P1556-G1558 PolarHBondContact O-N 3.32Å
1557	V	64.5	Low	66.9	Low	159 Å²	159	77.4 Å²	77.4	96%	0.964	47%	0.472	S	S	*	.	S	Bend	trans	-86.4	67.5	-178.7	-170.5	0	0	0	0	109.7	F1555	F1555-V1557 PolarHBondContact O-N 2.99Å
1558	G	58.2	Low	66.4	Low	60 Å²	60	78.4 Å²	78.4	62%	0.619	48%	0.478	S	S	*	.	S	Bend	trans	-170.2	155.3	-178.6	0	0	0	0	0	112.8	P1556	P1556-G1558 VanDerWaalsContact C-N 3.26Å; P1556-G1558 PolarHBondContact O-N 3.32Å
1559	S	43.5	Very low	66.1	Low	115 Å²	115	76.9 Å²	76.9	80%	0.804	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-69.9	135.2	177.3	51.9	0	0	0	0	111.4	A1561	S1559-A1561 PolarHBondContact O-N 3.38Å
1560	P	43.6	Very low	66	Low	102 Å²	102	82.6 Å²	82.6	66%	0.662	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-71.1	126.7	-176.4	28.8	-34.6	0	0	0	112
1561	A	39	Very low	65.9	Low	90 Å²	90	86.4 Å²	86.4	74%	0.744	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-84.3	132.2	144.3	0	0	0	0	0	106.6	S1559 E1563	S1559-A1561 PolarHBondContact O-N 3.38Å; A1561-E1563 PolarHBondContact O-N 2.87Å
1562	E	45.4	Very low	66	Low	192 Å²	192	83.7 Å²	83.7	90%	0.897	50%	0.503	S	S	*	.	S	Bend	trans	-78.2	16.2	-165.4	-60.7	-171.5	115.1	0	0	115
1563	E	45	Very low	66	Low	163 Å²	163	85 Å²	85	76%	0.762	50%	0.499	S	S	*	.			trans	-113.7	150.5	-178.5	-62.4	-176.8	146.9	0	0	110.9	A1561	A1561-E1563 PolarHBondContact O-N 2.87Å
1564	N	53.7	Low	66.1	Low	121 Å²	121	88 Å²	88	65%	0.647	52%	0.515	S	S	*	.			trans	84	29.9	-179.8	-48.4	-51.5	0	0	0	118.7	A1566 D1567 V1568	N1564-A1566 PolarHBondContact O-N 3.35Å; N1564-D1567 HydrophobicContact CB-CB 3.98Å; N1564-D1567 PolarHBondContact O-N 3.11Å; N1564-V1568 PolarHBondContact O-N 2.92Å
1565	V	59.2	Low	66.4	Low	107 Å²	107	88.3 Å²	88.3	65%	0.648	52%	0.517	S	S	*	.	H	α-helix	trans	-53.2	-35.7	165.3	178.1	0	0	0	0	112.2	D1567 V1568 G1569	V1565-D1567 VanDerWaalsContact C-N 3.26Å; V1565-D1567 PolarHBondContact O-N 3.09Å; V1565-V1568 PolarHBondContact O-N 3.13Å; V1565-G1569 PolarHBondContact O-N 3.3Å
1566	A	62.6	Low	66.4	Low	81 Å²	81	89.7 Å²	89.7	67%	0.669	52%	0.521	S	S	*	.	H	α-helix	trans	-65.8	-24.6	176.2	0	0	0	0	0	113.9	N1564 R1570	N1564-A1566 PolarHBondContact O-N 3.35Å; A1566-R1570 PolarHBondContact O-N 2.88Å
1567	D	76.7	Confident	66.9	Low	53 Å²	53	92.1 Å²	92.1	28%	0.283	53%	0.53	S	S	.	.	H	α-helix	trans	-83.1	-33.3	178.7	-154.8	62	0	0	0	111.3	N1564 V1565 G1569 R1570 Q1571	N1564-D1567 HydrophobicContact CB-CB 3.98Å; N1564-D1567 PolarHBondContact O-N 3.11Å; V1565-D1567 VanDerWaalsContact C-N 3.26Å; V1565-D1567 PolarHBondContact O-N 3.09Å; D1567-G1569 VanDerWaalsContact C-N 3.31Å; D1567-G1569 PolarHBondContact O-N 3.4Å; D1567-R1570 WeakPolarHBondContact O-CB 3.15Å; D1567-R1570 PolarHBondContact O-N 3.43Å; D1567-R1570 VanDerWaalsContact O-N 3.11Å; D1567-R1570 IonicContact OD1-CZ 2.73Å; D1567-R1570 IonicContact OD1-NE 3.25Å; D1567-R1570 IonicContact OD1-NH1 3.56Å; D1567-R1570 PolarHBondContact OD1-NH1 2.99Å; D1567-R1570 VanDerWaalsContact OD1-NH1 3.15Å; D1567-Q1571 VanDerWaalsContact O-CG 3.29Å; D1567-Q1571 WeakPolarHBondContact O-CG 3.37Å; D1567-Q1571 PolarHBondContact O-N 3.31Å; D1567-Q1571 PolarHBondContact OD2-NE2 2.76Å
1568	V	74	Confident	67.9	Low	37 Å²	37	88.5 Å²	88.5	22%	0.224	50%	0.499	C	S	.	.	H	α-helix	trans	-56.9	-45.6	168.6	-179.1	0	0	0	0	110.6	V1478 N1564 V1565 R1570 Q1571 V1572	V1478-V1568 HydrophobicContact CG2-CG1 4.06Å; N1564-V1568 PolarHBondContact O-N 2.92Å; V1565-V1568 PolarHBondContact O-N 3.13Å; V1568-R1570 VanDerWaalsContact C-N 3.3Å; V1568-R1570 PolarHBondContact O-N 3.46Å; V1568-Q1571 PolarHBondContact O-N 2.95Å; V1568-V1572 VanDerWaalsContact O-CG2 3.27Å; V1568-V1572 WeakPolarHBondContact O-CG2 3.46Å; V1568-V1572 PolarHBondContact O-N 2.78Å
1569	G	76.8	Confident	68.8	Low	39 Å²	39	85.9 Å²	85.9	40%	0.402	47%	0.471	S	S	.	.	H	α-helix	trans	-59.3	-39	175.5	0	0	0	0	0	113.2	V1565 D1567 V1572 E1573	V1565-G1569 PolarHBondContact O-N 3.3Å; D1567-G1569 VanDerWaalsContact C-N 3.31Å; D1567-G1569 PolarHBondContact O-N 3.4Å; G1569-V1572 PolarHBondContact O-N 2.81Å; G1569-E1573 PolarHBondContact O-N 3.13Å
1570	R	82.4	Confident	70.2	Confident	173 Å²	173	81.7 Å²	81.7	65%	0.653	44%	0.443	S	S	*	.	H	α-helix	trans	-68.1	-43.5	176.9	-166.2	-173.3	-60.9	158.7	0.4	112.4	A1566 D1567 V1568 V1572 E1573 D1574	A1566-R1570 PolarHBondContact O-N 2.88Å; D1567-R1570 WeakPolarHBondContact O-CB 3.15Å; D1567-R1570 PolarHBondContact O-N 3.43Å; D1567-R1570 VanDerWaalsContact O-N 3.11Å; D1567-R1570 IonicContact OD1-CZ 2.73Å; D1567-R1570 IonicContact OD1-NE 3.25Å; D1567-R1570 IonicContact OD1-NH1 3.56Å; D1567-R1570 PolarHBondContact OD1-NH1 2.99Å; D1567-R1570 VanDerWaalsContact OD1-NH1 3.15Å; V1568-R1570 VanDerWaalsContact C-N 3.3Å; V1568-R1570 PolarHBondContact O-N 3.46Å; R1570-V1572 VanDerWaalsContact C-N 3.26Å; R1570-V1572 PolarHBondContact O-N 2.82Å; R1570-E1573 PolarHBondContact O-N 3.34Å; R1570-D1574 PolarHBondContact O-N 2.72Å
1571	Q	83.9	Confident	71.8	Confident	80 Å²	80	78.5 Å²	78.5	37%	0.374	43%	0.429	S	S	.	.	H	α-helix	trans	-63.9	-32.7	176	-65.9	170.7	31	0	0	111.3	L1553 D1567 V1568 D1574 L1575	L1553-Q1571 HydrophobicContact CD1-CB 3.55Å; L1553-Q1571 WeakPolarHBondContact CD1-O 3.05Å; L1553-Q1571 HydrophobicContact CD2-CB 3.88Å; L1553-Q1571 HydrophobicContact CG-CB 4.39Å; D1567-Q1571 VanDerWaalsContact O-CG 3.29Å; D1567-Q1571 WeakPolarHBondContact O-CG 3.37Å; D1567-Q1571 PolarHBondContact O-N 3.31Å; D1567-Q1571 PolarHBondContact OD2-NE2 2.76Å; V1568-Q1571 PolarHBondContact O-N 2.95Å; Q1571-D1574 PolarHBondContact O-N 2.74Å; Q1571-L1575 WeakPolarHBondContact O-CG 3.34Å; Q1571-L1575 PolarHBondContact O-N 2.75Å
1572	V	84	Confident	73.2	Confident	6 Å²	6	76.7 Å²	76.7	4%	0.036	41%	0.405	C	S	.	.	H	α-helix	trans	-67.4	-39.1	173.9	169.4	0	0	0	0	112.5	V1478 M1550 L1553 V1568 G1569 R1570 L1575 R1576	V1478-V1572 HydrophobicContact CB-CG2 4.39Å; V1478-V1572 HydrophobicContact CG1-CG1 4.32Å; V1478-V1572 HydrophobicContact CG1-CG2 3.79Å; V1478-V1572 HydrophobicContact CG2-CG2 3.62Å; M1550-V1572 HydrophobicContact CE-CB 4.26Å; M1550-V1572 HydrophobicContact CE-CG1 3.64Å; M1550-V1572 HydrophobicContact CE-CG2 3.76Å; M1550-V1572 HydrophobicContact SD-CB 4.5Å; M1550-V1572 HydrophobicContact SD-CG1 4.38Å; M1550-V1572 HydrophobicContact SD-CG2 3.89Å; L1553-V1572 HydrophobicContact CB-CG2 4.38Å; L1553-V1572 HydrophobicContact CD1-CB 4.43Å; L1553-V1572 HydrophobicContact CD1-CG2 3.7Å; V1568-V1572 VanDerWaalsContact O-CG2 3.27Å; V1568-V1572 WeakPolarHBondContact O-CG2 3.46Å; V1568-V1572 PolarHBondContact O-N 2.78Å; G1569-V1572 PolarHBondContact O-N 2.81Å; R1570-V1572 VanDerWaalsContact C-N 3.26Å; R1570-V1572 PolarHBondContact O-N 2.82Å; V1572-L1575 PolarHBondContact O-N 2.89Å; V1572-R1576 WeakPolarHBondContact O-CG 3.43Å; V1572-R1576 PolarHBondContact O-N 3.46Å
1573	E	80.2	Confident	74.1	Confident	85 Å²	85	70.4 Å²	70.4	40%	0.397	38%	0.377	S	S	.	.	H	α-helix	trans	-71.9	-35.7	173.4	-71.9	-62.1	166.3	0	0	112.5	G1569 R1570 L1575 R1576 L1577	G1569-E1573 PolarHBondContact O-N 3.13Å; R1570-E1573 PolarHBondContact O-N 3.34Å; E1573-L1575 VanDerWaalsContact C-N 3.27Å; E1573-L1575 PolarHBondContact O-N 3.35Å; E1573-R1576 VanDerWaalsContact CD-CD 3.47Å; E1573-R1576 CarbonylContact O-C 3.57Å; E1573-R1576 WeakPolarHBondContact O-CB 3.48Å; E1573-R1576 PolarHBondContact O-N 2.95Å; E1573-R1576 VanDerWaalsContact O-N 3.09Å; E1573-R1576 IonicContact OE1-CZ 2.93Å; E1573-R1576 IonicContact OE1-NE 3.83Å; E1573-R1576 IonicContact OE1-NH1 2.74Å; E1573-R1576 PolarHBondContact OE1-NH1 3.4Å; E1573-R1576 WeakPolarHBondContact OE2-CD 3.41Å; E1573-R1576 IonicContact OE2-NH1 2.71Å; E1573-L1577 WeakPolarHBondContact O-CB 3.4Å; E1573-L1577 WeakPolarHBondContact O-CG 3.13Å; E1573-L1577 PolarHBondContact O-N 3.22Å
1574	D	84.1	Confident	74.9	Confident	87 Å²	87	67 Å²	67	47%	0.465	36%	0.361	S	S	.	.	H	α-helix	trans	-57.2	-42.7	170.8	-175.8	77.4	0	0	0	111.3	R1570 Q1571 L1577 R1578	R1570-D1574 PolarHBondContact O-N 2.72Å; Q1571-D1574 PolarHBondContact O-N 2.74Å; D1574-L1577 PolarHBondContact O-N 2.82Å; D1574-R1578 WeakPolarHBondContact O-CB 3.44Å; D1574-R1578 WeakPolarHBondContact O-CG 3.37Å; D1574-R1578 PolarHBondContact O-N 2.95Å; D1574-R1578 WeakPolarHBondContact OD2-CD 3.2Å
1575	L	86	Confident	75	Confident	6 Å²	6	63.9 Å²	63.9	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-70.7	-28.7	174.6	-66	-175.2	0	0	0	114	L1498 V1546 D1549 M1550 L1553 Q1571 V1572 E1573 L1579	L1498-L1575 HydrophobicContact CD2-CB 4.16Å; V1546-L1575 HydrophobicContact CG1-CB 4.2Å; V1546-L1575 HydrophobicContact CG1-CD2 4.41Å; V1546-L1575 WeakPolarHBondContact CG1-O 3.47Å; D1549-L1575 HydrophobicContact CB-CD1 3.6Å; D1549-L1575 HydrophobicContact CB-CD2 3.68Å; D1549-L1575 HydrophobicContact CB-CG 4.32Å; M1550-L1575 VanDerWaalsContact CA-CD1 3.46Å; M1550-L1575 HydrophobicContact CB-CD1 3.7Å; M1550-L1575 HydrophobicContact CG-CD1 4.45Å; M1550-L1575 VanDerWaalsContact N-CD1 3.26Å; M1550-L1575 HydrophobicContact SD-CD1 4.07Å; L1553-L1575 HydrophobicContact CD1-CD1 3.52Å; L1553-L1575 HydrophobicContact CD1-CG 4.24Å; L1553-L1575 HydrophobicContact CG-CD1 3.99Å; Q1571-L1575 WeakPolarHBondContact O-CG 3.34Å; Q1571-L1575 PolarHBondContact O-N 2.75Å; V1572-L1575 PolarHBondContact O-N 2.89Å; E1573-L1575 VanDerWaalsContact C-N 3.27Å; E1573-L1575 PolarHBondContact O-N 3.35Å; L1575-L1579 VanDerWaalsContact O-CB 3.31Å; L1575-L1579 WeakPolarHBondContact O-CB 3.43Å; L1575-L1579 PolarHBondContact O-N 2.74Å
1576	R	81.3	Confident	74.5	Confident	61 Å²	61	59.8 Å²	59.8	23%	0.23	33%	0.327	C	S	.	.	H	α-helix	trans	-67.6	-39.5	168.9	-75.7	168.8	169.4	171.5	7.9	111.4	H1497 L1498 V1572 E1573 L1579 A1580	H1497-R1576 PolarHBondContact O-NE 2.84Å; H1497-R1576 PolarHBondContact O-NH2 3.38Å; L1498-R1576 HydrophobicContact CD2-CG 4.18Å; V1572-R1576 WeakPolarHBondContact O-CG 3.43Å; V1572-R1576 PolarHBondContact O-N 3.46Å; E1573-R1576 VanDerWaalsContact CD-CD 3.47Å; E1573-R1576 CarbonylContact O-C 3.57Å; E1573-R1576 WeakPolarHBondContact O-CB 3.48Å; E1573-R1576 PolarHBondContact O-N 2.95Å; E1573-R1576 VanDerWaalsContact O-N 3.09Å; E1573-R1576 IonicContact OE1-CZ 2.93Å; E1573-R1576 IonicContact OE1-NE 3.83Å; E1573-R1576 IonicContact OE1-NH1 2.74Å; E1573-R1576 PolarHBondContact OE1-NH1 3.4Å; E1573-R1576 WeakPolarHBondContact OE2-CD 3.41Å; E1573-R1576 IonicContact OE2-NH1 2.71Å; R1576-L1579 PolarHBondContact O-N 2.87Å; R1576-A1580 PolarHBondContact O-N 2.35Å
1577	L	81.1	Confident	73.5	Confident	117 Å²	117	59.5 Å²	59.5	61%	0.613	33%	0.325	S	S	*	.	H	α-helix	trans	-70.8	-43.3	177.1	-69.6	168.3	0	0	0	111.9	E1573 D1574 L1579 A1580 G1581	E1573-L1577 WeakPolarHBondContact O-CB 3.4Å; E1573-L1577 WeakPolarHBondContact O-CG 3.13Å; E1573-L1577 PolarHBondContact O-N 3.22Å; D1574-L1577 PolarHBondContact O-N 2.82Å; L1577-L1579 VanDerWaalsContact C-N 3.32Å; L1577-L1579 PolarHBondContact O-N 3.03Å; L1577-A1580 WeakPolarHBondContact O-CB 3.05Å; L1577-A1580 PolarHBondContact O-N 3.09Å; L1577-G1581 PolarHBondContact O-N 3.27Å
1578	R	85.3	Confident	71.6	Confident	84 Å²	84	62 Å²	62	32%	0.317	34%	0.342	S	S	.	.	H	α-helix	trans	-60.8	-38.9	170.4	-72.6	177.8	63.5	-158.9	0.4	111.6	E1545 V1546 D1549 D1574 G1581 E1582	E1545-R1578 IonicContact OE1-CZ 3.13Å; E1545-R1578 IonicContact OE1-NH2 3.49Å; E1545-R1578 PolarHBondContact OE1-NH2 3.41Å; V1546-R1578 HydrophobicContact CG2-CB 3.78Å; D1549-R1578 IonicContact OD2-CZ 2.7Å; D1549-R1578 IonicContact OD2-NH1 3.85Å; D1549-R1578 PolarHBondContact OD2-NH1 3.33Å; D1549-R1578 IonicContact OD2-NH2 3.06Å; D1574-R1578 WeakPolarHBondContact O-CB 3.44Å; D1574-R1578 WeakPolarHBondContact O-CG 3.37Å; D1574-R1578 PolarHBondContact O-N 2.95Å; D1574-R1578 WeakPolarHBondContact OD2-CD 3.2Å; R1578-G1581 PolarHBondContact O-N 2.97Å; R1578-E1582 PolarHBondContact O-N 2.75Å
1579	L	77.4	Confident	69.7	Low	4 Å²	4	64 Å²	64	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-64.8	-43.9	171.9	-179.8	62.3	0	0	0	112	L1498 F1500 L1543 V1546 L1575 R1576 L1577 G1581 E1582 L1583	L1498-L1579 HydrophobicContact CB-CD2 3.63Å; L1498-L1579 HydrophobicContact CD1-CD2 4.39Å; L1498-L1579 HydrophobicContact CG-CD2 4.44Å; L1498-L1579 WeakPolarHBondContact O-CD2 3.48Å; F1500-L1579 HydrophobicContact CD2-CD1 4.31Å; F1500-L1579 HydrophobicContact CD2-CD2 3.59Å; F1500-L1579 HydrophobicContact CE2-CD1 3.65Å; F1500-L1579 HydrophobicContact CE2-CD2 3.81Å; F1500-L1579 HydrophobicContact CE2-CG 4.37Å; F1500-L1579 HydrophobicContact CG-CD2 4.5Å; F1500-L1579 HydrophobicContact CZ-CD1 4.32Å; L1543-L1579 HydrophobicContact CD1-CD1 3.51Å; L1543-L1579 HydrophobicContact CG-CD1 3.73Å; V1546-L1579 HydrophobicContact CG1-CB 4.07Å; L1575-L1579 VanDerWaalsContact O-CB 3.31Å; L1575-L1579 WeakPolarHBondContact O-CB 3.43Å; L1575-L1579 PolarHBondContact O-N 2.74Å; R1576-L1579 PolarHBondContact O-N 2.87Å; L1577-L1579 VanDerWaalsContact C-N 3.32Å; L1577-L1579 PolarHBondContact O-N 3.03Å; L1579-G1581 VanDerWaalsContact C-N 3.27Å; L1579-G1581 PolarHBondContact O-N 3.2Å; L1579-E1582 PolarHBondContact O-N 2.87Å; L1579-L1583 HydrophobicContact CD1-CD1 4Å; L1579-L1583 HydrophobicContact CD1-CD2 4.5Å; L1579-L1583 HydrophobicContact CD1-CG 3.83Å; L1579-L1583 HydrophobicContact CD2-CD1 4.14Å; L1579-L1583 HydrophobicContact CG-CD1 3.78Å; L1579-L1583 HydrophobicContact CG-CG 4.07Å; L1579-L1583 WeakPolarHBondContact O-CB 3.25Å; L1579-L1583 WeakPolarHBondContact O-CG 3.32Å; L1579-L1583 PolarHBondContact O-N 2.85Å
1580	A	73.8	Confident	67.4	Low	28 Å²	28	67.9 Å²	67.9	23%	0.231	36%	0.363	C	S	.	.	H	α-helix	trans	-58.2	-43.2	177.4	0	0	0	0	0	110.6	R1576 L1577 L1583 E1584	R1576-A1580 PolarHBondContact O-N 2.35Å; L1577-A1580 WeakPolarHBondContact O-CB 3.05Å; L1577-A1580 PolarHBondContact O-N 3.09Å; A1580-L1583 PolarHBondContact O-N 2.81Å; A1580-E1584 VanDerWaalsContact O-CB 3.3Å; A1580-E1584 WeakPolarHBondContact O-CB 3.39Å; A1580-E1584 VanDerWaalsContact O-CD 3.26Å; A1580-E1584 VanDerWaalsContact O-CG 3.24Å; A1580-E1584 WeakPolarHBondContact O-CG 3.3Å; A1580-E1584 PolarHBondContact O-N 3.13Å
1581	G	76.8	Confident	64.6	Low	35 Å²	35	62.1 Å²	62.1	36%	0.361	36%	0.358	S	S	.	.	H	α-helix	trans	-61.2	-46.5	172.3	0	0	0	0	0	114	L1577 R1578 L1579 L1583 E1584 A1585	L1577-G1581 PolarHBondContact O-N 3.27Å; R1578-G1581 PolarHBondContact O-N 2.97Å; L1579-G1581 VanDerWaalsContact C-N 3.27Å; L1579-G1581 PolarHBondContact O-N 3.2Å; G1581-L1583 VanDerWaalsContact C-N 3.34Å; G1581-L1583 PolarHBondContact O-N 3.34Å; G1581-E1584 PolarHBondContact O-N 3.26Å; G1581-A1585 VanDerWaalsContact O-CB 3.28Å; G1581-A1585 WeakPolarHBondContact O-CB 3.49Å; G1581-A1585 PolarHBondContact O-N 3.41Å
1582	E	68.2	Low	61.7	Low	51 Å²	51	62 Å²	62	24%	0.238	38%	0.379	C	S	.	.	H	α-helix	trans	-62.1	-38.3	174.5	-83.9	-78.5	132	0	0	112.5	T1540 G1542 L1543 R1578 L1579 L1586	T1540-E1582 VanDerWaalsContact CB-OE2 3.23Å; T1540-E1582 WeakPolarHBondContact CB-OE2 3.41Å; T1540-E1582 PolarHBondContact OG1-OE2 3.08Å; G1542-E1582 WeakPolarHBondContact CA-OE1 3.36Å; L1543-E1582 HydrophobicContact CB-CB 4.35Å; L1543-E1582 HydrophobicContact CB-CG 4.37Å; L1543-E1582 WeakPolarHBondContact CB-OE2 3.38Å; L1543-E1582 HydrophobicContact CD1-CB 4.23Å; L1543-E1582 PolarHBondContact N-OE2 3.26Å; R1578-E1582 PolarHBondContact O-N 2.75Å; L1579-E1582 PolarHBondContact O-N 2.87Å; E1582-L1586 VanDerWaalsContact O-CB 3.25Å; E1582-L1586 WeakPolarHBondContact O-CB 3.42Å; E1582-L1586 VanDerWaalsContact O-CG 3.31Å; E1582-L1586 WeakPolarHBondContact O-CG 3.37Å; E1582-L1586 PolarHBondContact O-N 3.45Å
1583	L	64.4	Low	58.6	Low	61 Å²	61	67.8 Å²	67.8	32%	0.319	41%	0.414	S	S	.	.	H	α-helix	trans	-73.2	-36.5	178	-74.4	177.8	0	0	0	112.6	F1500 L1543 L1579 A1580 G1581 L1586 A1587	F1500-L1583 HydrophobicContact CE1-CD2 3.96Å; F1500-L1583 HydrophobicContact CZ-CD1 4.49Å; F1500-L1583 HydrophobicContact CZ-CD2 3.83Å; L1543-L1583 HydrophobicContact CD1-CD2 3.93Å; L1543-L1583 HydrophobicContact CD1-CG 4.35Å; L1579-L1583 HydrophobicContact CD1-CD1 4Å; L1579-L1583 HydrophobicContact CD1-CD2 4.5Å; L1579-L1583 HydrophobicContact CD1-CG 3.83Å; L1579-L1583 HydrophobicContact CD2-CD1 4.14Å; L1579-L1583 HydrophobicContact CG-CD1 3.78Å; L1579-L1583 HydrophobicContact CG-CG 4.07Å; L1579-L1583 WeakPolarHBondContact O-CB 3.25Å; L1579-L1583 WeakPolarHBondContact O-CG 3.32Å; L1579-L1583 PolarHBondContact O-N 2.85Å; A1580-L1583 PolarHBondContact O-N 2.81Å; G1581-L1583 VanDerWaalsContact C-N 3.34Å; G1581-L1583 PolarHBondContact O-N 3.34Å; L1583-L1586 PolarHBondContact O-N 3.36Å; L1583-A1587 VanDerWaalsContact O-CB 3.29Å; L1583-A1587 WeakPolarHBondContact O-CB 3.47Å; L1583-A1587 PolarHBondContact O-N 3.38Å
1584	E	60.6	Low	55.8	Low	90 Å²	90	69.2 Å²	69.2	42%	0.421	43%	0.433	S	S	.	.	H	α-helix	trans	-67.2	-42.9	172.4	-76.5	155.2	-154.3	0	0	110.8	A1580 G1581 L1586 A1587 T1588 K1600	A1580-E1584 VanDerWaalsContact O-CB 3.3Å; A1580-E1584 WeakPolarHBondContact O-CB 3.39Å; A1580-E1584 VanDerWaalsContact O-CD 3.26Å; A1580-E1584 VanDerWaalsContact O-CG 3.24Å; A1580-E1584 WeakPolarHBondContact O-CG 3.3Å; A1580-E1584 PolarHBondContact O-N 3.13Å; G1581-E1584 PolarHBondContact O-N 3.26Å; E1584-L1586 PolarHBondContact O-N 3.41Å; E1584-A1587 PolarHBondContact O-N 3.48Å; E1584-T1588 VanDerWaalsContact O-CB 3.32Å; E1584-T1588 WeakPolarHBondContact O-CB 3.06Å; E1584-T1588 PolarHBondContact O-N 3.41Å; E1584-T1588 PolarHBondContact O-OG1 3.29Å; E1584-K1600 WeakPolarHBondContact OE1-CE 3.28Å; E1584-K1600 IonicContact OE1-NZ 3.79Å; E1584-K1600 PolarHBondContact OE1-NZ 3.42Å; E1584-K1600 IonicContact OE2-NZ 2.93Å; E1584-K1600 PolarHBondContact OE2-NZ 3.38Å
1585	A	55.7	Low	52.8	Low	56 Å²	56	70.1 Å²	70.1	46%	0.463	44%	0.444	S	S	.	.	H	α-helix	trans	-60.2	-43.9	171.8	0	0	0	0	0	112	G1581 T1588 S1589	G1581-A1585 VanDerWaalsContact O-CB 3.28Å; G1581-A1585 WeakPolarHBondContact O-CB 3.49Å; G1581-A1585 PolarHBondContact O-N 3.41Å; A1585-T1588 PolarHBondContact O-N 3.13Å; A1585-S1589 VanDerWaalsContact O-CB 3.29Å; A1585-S1589 WeakPolarHBondContact O-CB 3.48Å; A1585-S1589 PolarHBondContact O-N 2.85Å
1586	L	48.6	Very low	49.7	Very low	22 Å²	22	76.1 Å²	76.1	12%	0.115	48%	0.481	C	S	.	.	H	α-helix	trans	-68.4	-36.7	177.4	-86.4	170.9	0	0	0	114.3	L1536 T1540 L1543 E1582 L1583 E1584 T1588 S1589	L1536-L1586 HydrophobicContact CD1-CD2 4.32Å; L1536-L1586 HydrophobicContact CD2-CD1 3.74Å; L1536-L1586 HydrophobicContact CD2-CD2 3.82Å; L1536-L1586 HydrophobicContact CD2-CG 4.36Å; L1536-L1586 HydrophobicContact CG-CD2 4.42Å; T1540-L1586 HydrophobicContact CG2-CD1 4.34Å; T1540-L1586 HydrophobicContact CG2-CD2 3.6Å; T1540-L1586 HydrophobicContact CG2-CG 4.05Å; L1543-L1586 HydrophobicContact CD1-CD1 3.8Å; E1582-L1586 VanDerWaalsContact O-CB 3.25Å; E1582-L1586 WeakPolarHBondContact O-CB 3.42Å; E1582-L1586 VanDerWaalsContact O-CG 3.31Å; E1582-L1586 WeakPolarHBondContact O-CG 3.37Å; E1582-L1586 PolarHBondContact O-N 3.45Å; L1583-L1586 PolarHBondContact O-N 3.36Å; E1584-L1586 PolarHBondContact O-N 3.41Å; L1586-T1588 VanDerWaalsContact C-N 3.33Å; L1586-S1589 PolarHBondContact O-OG 3.4Å
1587	A	41.5	Very low	46.8	Very low	75 Å²	75	80.3 Å²	80.3	62%	0.62	51%	0.508	S	S	*	.	H	α-helix	trans	-65.6	-40.9	173.1	0	0	0	0	0	110.4	L1583 E1584	L1583-A1587 VanDerWaalsContact O-CB 3.29Å; L1583-A1587 WeakPolarHBondContact O-CB 3.47Å; L1583-A1587 PolarHBondContact O-N 3.38Å; E1584-A1587 PolarHBondContact O-N 3.48Å
1588	T	36.7	Very low	43.9	Very low	106 Å²	106	83.5 Å²	83.5	65%	0.65	52%	0.52	S	S	*	.	H	α-helix	trans	-71.1	-36.7	178.2	-52.8	0	0	0	0	112.1	E1584 A1585 L1586 F1590 G1591	E1584-T1588 VanDerWaalsContact O-CB 3.32Å; E1584-T1588 WeakPolarHBondContact O-CB 3.06Å; E1584-T1588 PolarHBondContact O-N 3.41Å; E1584-T1588 PolarHBondContact O-OG1 3.29Å; A1585-T1588 PolarHBondContact O-N 3.13Å; L1586-T1588 VanDerWaalsContact C-N 3.33Å; T1588-F1590 PolarHBondContact O-N 3.33Å; T1588-F1590 VanDerWaalsContact O-N 3.1Å; T1588-G1591 PolarHBondContact O-N 3.1Å
1589	S	33.9	Very low	40.8	Very low	77 Å²	77	83.1 Å²	83.1	54%	0.538	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-2.6	-175.2	80	0	0	0	0	115.3	A1585 L1586	A1585-S1589 VanDerWaalsContact O-CB 3.29Å; A1585-S1589 WeakPolarHBondContact O-CB 3.48Å; A1585-S1589 PolarHBondContact O-N 2.85Å; L1586-S1589 PolarHBondContact O-OG 3.4Å
1590	F	29.9	Very low	38.1	Very low	121 Å²	121	89.2 Å²	89.2	53%	0.531	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123.4	11.5	173.8	-80.5	-77.8	0	0	0	113.9	N1534 L1536 T1588	N1534-F1590 HydrophobicContact CB-CD1 4.34Å; N1534-F1590 HydrophobicContact CB-CE1 4.3Å; N1534-F1590 WeakPolarHBondContact ND2-CD1 3.32Å; N1534-F1590 WeakPolarHBondContact ND2-CG 3.32Å; L1536-F1590 HydrophobicContact CD1-CE2 4.01Å; T1588-F1590 PolarHBondContact O-N 3.33Å; T1588-F1590 VanDerWaalsContact O-N 3.1Å
1591	G	23.9	Very low	35.8	Very low	53 Å²	53	92.4 Å²	92.4	55%	0.546	59%	0.586	S	S	.	*			trans	-110.7	69.6	176.2	0	0	0	0	0	113.1	T1588 T1593	T1588-G1591 PolarHBondContact O-N 3.1Å; G1591-T1593 PolarHBondContact O-N 3.39Å
1592	G	21.6	Very low	33.2	Very low	78 Å²	78	95.8 Å²	95.8	80%	0.804	60%	0.6	S	S	*	*			trans	-75.7	75.1	-173.6	0	0	0	0	0	116.1
1593	T	20.2	Very low	30.9	Very low	127 Å²	127	100.7 Å²	100.7	78%	0.779	62%	0.623	S	S	*	*	S	Bend		-174.3	127.9	129.8	31.5	0	0	0	0	112.3	G1591	G1591-T1593 PolarHBondContact O-N 3.39Å
1594	S	20.1	Very low	28.8	Very low	115 Å²	115	103.6 Å²	103.6	80%	0.804	64%	0.638	S	S	*	*			trans	64.5	148	167.3	51.1	0	0	0	0	118.8
1595	P	21.4	Very low	26.9	Very low	106 Å²	106	106.2 Å²	106.2	69%	0.688	65%	0.648	S	S	*	*			trans	-126.4	-167.2	-162.2	41.8	-23.4	0	0	0	113.5
1596	T	20.7	Very low	25.2	Very low	131 Å²	131	109.8 Å²	109.8	80%	0.804	66%	0.655	S	S	*	*			trans	66.7	145.6	169.6	56.5	0	0	0	0	116.1
1597	D	21	Very low	23.9	Very low	149 Å²	149	117.4 Å²	117.4	80%	0.797	69%	0.69	S	S	*	*			cis	-118.3	169.6	7.6	-147.2	-12.2	0	0	0	113.2
1598	E	19.9	Very low	23	Very low	185 Å²	185	117.1 Å²	117.1	86%	0.864	69%	0.694	S	S	*	*			trans	-76.4	-177.4	177.9	-55	-175.7	150.7	0	0	111.7
1599	G	20.1	Very low	22	Very low	76 Å²	76	118.9 Å²	118.9	78%	0.784	70%	0.699	S	S	*	*			trans	155.1	10.9	172.4	0	0	0	0	0	119.5
1600	K	20.9	Very low	21.5	Very low	131 Å²	131	121.3 Å²	121.3	57%	0.57	71%	0.711	S	S	*	*			trans	-31.5	161.8	150	-92.8	-177.2	166.8	166.6	0	114	E1584	E1584-K1600 WeakPolarHBondContact OE1-CE 3.28Å; E1584-K1600 IonicContact OE1-NZ 3.79Å; E1584-K1600 PolarHBondContact OE1-NZ 3.42Å; E1584-K1600 IonicContact OE2-NZ 2.93Å; E1584-K1600 PolarHBondContact OE2-NZ 3.38Å
1601	P	25.9	Very low	21	Very low	95 Å²	95	122 Å²	122	62%	0.617	72%	0.72	S	S	*	*			cis	-143.3	-116.9	-39.6	38.4	-16.7	0	0	0	108.9
1602	T	21.5	Very low	20.9	Very low	107 Å²	107	126.8 Å²	126.8	66%	0.656	73%	0.733	S	S	*	*			trans	70.3	134.2	158.9	47.4	0	0	0	0	117.1
1603	E	20.8	Very low	20.9	Very low	153 Å²	153	127.9 Å²	127.9	72%	0.715	73%	0.729	S	S	*	*			cis	-170.7	175.4	-4	-131.4	168.6	-164.2	0	0	111.1
1604	I	20.4	Very low	21	Very low	122 Å²	122	126.7 Å²	126.7	63%	0.626	73%	0.732	S	S	*	*			trans	72.2	133.9	144.7	-79.2	163.8	0	0	0	118
1605	K	20.7	Very low	21.2	Very low	146 Å²	146	124.5 Å²	124.5	64%	0.635	73%	0.727	S	S	*	*			cis	172.1	-177.3	-12.4	-126.2	-162.4	-137.9	165.8	0	110.4
1606	E	20.4	Very low	21.3	Very low	131 Å²	131	124.8 Å²	124.8	61%	0.612	73%	0.731	S	S	*	*			trans	68	149.5	146.2	-82.2	155.5	-159.8	0	0	118.2
1607	E	20	Very low	21.6	Very low	182 Å²	182	128 Å²	128	85%	0.85	74%	0.737	S	S	*	*			cis	-163.2	174.4	-29.7	-129.2	176.5	-142.6	0	0	110.7
1608	G	22.1	Very low	22	Very low	68 Å²	68	123.6 Å²	123.6	70%	0.701	72%	0.722	S	S	*	*			trans	90.9	124.4	175.6	0	0	0	0	0	114.5
1609	N	17.6	Very low	22.7	Very low	143 Å²	143	116.3 Å²	116.3	77%	0.765	69%	0.689	S	S	*	*			cis	71.8	112	4.1	-169	84.2	0	0	0	118
1610	V	22	Very low	23.3	Very low	128 Å²	128	117 Å²	117	78%	0.776	67%	0.674	S	S	*	*				-167.4	152.6	126.4	141.5	0	0	0	0	110.4
1611	D	19.6	Very low	24.3	Very low	137 Å²	137	112.8 Å²	112.8	73%	0.733	66%	0.663	S	S	*	*			trans	-70.7	158.7	-178.3	-40.2	-103.7	0	0	0	114.7
1612	D	21.9	Very low	25.7	Very low	153 Å²	153	111.2 Å²	111.2	82%	0.818	66%	0.664	S	S	*	*				-165	-171	111.5	-141	-30.4	0	0	0	113.6
1613	S	22.5	Very low	27.6	Very low	101 Å²	101	109.1 Å²	109.1	71%	0.706	65%	0.646	S	S	*	*			trans	-104.8	140	-147.9	-55.6	0	0	0	0	116.6
1614	A	21.9	Very low	30	Very low	102 Å²	102	106.2 Å²	106.2	84%	0.843	63%	0.634	S	S	*	*			trans	68.8	80.4	144.2	0	0	0	0	0	120.9
1615	G	23.8	Very low	32.6	Very low	69 Å²	69	107.3 Å²	107.3	71%	0.711	63%	0.63	S	S	*	*			trans	-119.8	165.5	140.7	0	0	0	0	0	109.6
1616	S	24.4	Very low	35.5	Very low	111 Å²	111	100.4 Å²	100.4	78%	0.776	60%	0.6	S	S	*	*			cis	64.9	102.3	-5.3	82.2	0	0	0	0	120.6
1617	Q	27.2	Very low	38.2	Very low	199 Å²	199	98.7 Å²	98.7	93%	0.93	60%	0.595	S	S	*	*			trans	76	68.1	157.2	-60	-170.5	8	0	0	118.4
1618	A	28.5	Very low	41	Very low	57 Å²	57	93.4 Å²	93.4	47%	0.471	57%	0.571	S	S	.	*			trans	-106.2	165.9	133.7	0	0	0	0	0	108.6	D2036	A1618-D2036 WeakPolarHBondContact CB-OD2 3.23Å
1619	N	33.7	Very low	43.8	Very low	31 Å²	31	93.3 Å²	93.3	17%	0.166	56%	0.559	C	S	.	*			cis	-150.2	-177.3	16.4	-22.2	-100.2	0	0	0	113.3	D2036 E2037 D2038	N1619-D2036 HydrophobicContact CB-CB 3.85Å; N1619-D2036 WeakPolarHBondContact CB-OD2 3.45Å; N1619-D2036 PolarHBondContact OD1-OD1 2.81Å; N1619-D2036 PolarHBondContact OD1-OD2 3.41Å; N1619-E2037 WeakPolarHBondContact CB-O 3.47Å; N1619-E2037 VanDerWaalsContact ND2-CG 3.29Å; N1619-E2037 WeakPolarHBondContact ND2-CG 3.19Å; N1619-E2037 PolarHBondContact ND2-O 3.18Å; N1619-E2037 PolarHBondContact ND2-OE2 3.41Å; N1619-E2037 VanDerWaalsContact OD1-CB 3.24Å; N1619-E2037 WeakPolarHBondContact OD1-CB 3.49Å; N1619-E2037 PolarHBondContact OD1-OE2 2.81Å; N1619-D2038 HydrophobicContact CB-CB 3.92Å; N1619-D2038 PolarHBondContact N-OD2 3.4Å; N1619-D2038 WeakPolarHBondContact ND2-CB 3.38Å; N1619-D2038 PolarHBondContact ND2-OD1 2.83Å; N1619-D2038 PolarHBondContact ND2-OD2 3.13Å; N1619-D2038 VanDerWaalsContact ND2-OD2 3.11Å
1620	L	32.5	Very low	46.7	Very low	91 Å²	91	90.9 Å²	90.9	48%	0.476	55%	0.553	S	S	.	*			trans	-148.2	19.8	173.5	-169.9	50.4	0	0	0	113.6	G1622	L1620-G1622 PolarHBondContact O-N 2.69Å
1621	A	43.4	Very low	49.3	Very low	42 Å²	42	85.9 Å²	85.9	35%	0.347	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	137.3	-173	0	0	0	0	0	113.8	K1623 D2036	A1621-K1623 PolarHBondContact O-N 3.14Å; A1621-D2036 HydrophobicContact CB-CB 4.03Å; A1621-D2036 WeakPolarHBondContact CB-O 3.28Å
1622	G	55.1	Low	52.2	Low	62 Å²	62	80.7 Å²	80.7	64%	0.639	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	8.1	171.6	0	0	0	0	0	118.5	L1620	L1620-G1622 PolarHBondContact O-N 2.69Å
1623	K	61.5	Low	55	Low	64 Å²	64	73.8 Å²	73.8	28%	0.278	47%	0.465	S	S	.	.			trans	-128	77.2	-175	-66.7	162.2	-168.8	134.3	0	113.7	A1621 R1625 A1632 I1633	A1621-K1623 PolarHBondContact O-N 3.14Å; K1623-R1625 PolarHBondContact O-N 3.38Å; K1623-A1632 HydrophobicContact CB-CB 4.34Å; K1623-I1633 CarbonylContact C-O 3.39Å
1624	M	71.8	Confident	57.8	Low	92 Å²	92	69.8 Å²	69.8	45%	0.453	44%	0.437	S	S	.	.			trans	-49.9	125.2	-178.4	-65.6	-62.6	-81.6	0	0	114.3	A1632 I1633 F1701 A1704	M1624-A1632 CarbonylContact O-C 3.44Å; M1624-A1632 WeakPolarHBondContact O-CA 3.49Å; M1624-I1633 PolarHBondContact N-O 2.98Å; M1624-I1633 VanDerWaalsContact N-O 3.15Å; M1624-I1633 PolarHBondContact O-N 3.06Å; M1624-F1701 HydrophobicContact CB-CD1 4.18Å; M1624-F1701 HydrophobicContact CB-CE1 3.72Å; M1624-F1701 HydrophobicContact CE-CD1 4.21Å; M1624-A1704 HydrophobicContact CE-CB 4.43Å
1625	R	74.7	Confident	60.1	Low	145 Å²	145	68.7 Å²	68.7	55%	0.547	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-92.7	112.2	-178.6	-173.2	-173.8	-64	155.2	1.5	112.2	K1623 L1627 A1631	K1623-R1625 PolarHBondContact O-N 3.38Å; R1625-L1627 PolarHBondContact O-N 3.15Å; R1625-A1631 WeakPolarHBondContact CA-O 3.39Å
1626	C	81.2	Confident	62.4	Low	0 Å²	0	70.2 Å²	70.2	0%	0	42%	0.421	C	S	.	.			trans	-69.6	122.8	173.2	163.7	0	0	0	0	110.8	I1628 S1630 A1631 I1633 H1641 H1645 C1700 F1701	C1626-I1628 VanDerWaalsContact C-N 3.3Å; C1626-I1628 PolarHBondContact O-N 2.81Å; C1626-I1628 PolarHBondContact SG-N 3.21Å; C1626-S1630 WeakPolarHBondContact O-CA 3.48Å; C1626-S1630 PolarHBondContact O-N 3.31Å; C1626-A1631 PolarHBondContact N-O 2.69Å; C1626-I1633 HydrophobicContact CB-CD1 3.43Å; C1626-I1633 VanDerWaalsContact CB-CD1 3.43Å; C1626-H1641 WeakPolarHBondContact CB-NE2 3.47Å; C1626-H1641 VanDerWaalsContact SG-CE1 3.54Å; C1626-H1641 PolarHBondContact SG-NE2 3.26Å; C1626-H1645 PolarHBondContact SG-NE2 2.87Å; C1626-H1645 VanDerWaalsContact SG-NE2 3.42Å; C1626-C1700 CarbonylContact C-O 3.22Å; C1626-C1700 WeakPolarHBondContact CA-O 3.36Å; C1626-C1700 HydrophobicContact CB-CB 4.23Å; C1626-C1700 PolarHBondContact SG-SG 2.84Å; C1626-F1701 HydrophobicContact CB-CE1 4.02Å; C1626-F1701 HydrophobicContact CB-CE2 4.42Å; C1626-F1701 HydrophobicContact CB-CZ 3.73Å; C1626-F1701 VanDerWaalsContact N-CE1 3.33Å
1627	L	77.8	Confident	64.9	Low	95 Å²	95	66.9 Å²	66.9	50%	0.497	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.1	179.9	-59.4	-168.3	0	0	0	114.1	R1625 C1700 P1702	R1625-L1627 PolarHBondContact O-N 3.15Å; L1627-C1700 PolarHBondContact N-O 3.11Å; L1627-P1702 VanDerWaalsContact CD1-CD 3.42Å; L1627-P1702 HydrophobicContact CD1-CG 3.53Å
1628	I	78	Confident	67.4	Low	71 Å²	71	58.8 Å²	58.8	36%	0.364	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-27.2	-173	-54.2	178.5	0	0	0	112.9	C1626 H1645 M1696 R1699 C1700	C1626-I1628 VanDerWaalsContact C-N 3.3Å; C1626-I1628 PolarHBondContact O-N 2.81Å; C1626-I1628 PolarHBondContact SG-N 3.21Å; I1628-H1645 VanDerWaalsContact CG2-CE1 3.48Å; I1628-H1645 WeakPolarHBondContact CG2-CE1 3.2Å; I1628-M1696 HydrophobicContact CD1-CE 3.32Å; I1628-M1696 HydrophobicContact CD1-SD 4.29Å; I1628-R1699 HydrophobicContact CD1-CB 3.97Å; I1628-R1699 HydrophobicContact CD1-CG 3.7Å; I1628-R1699 HydrophobicContact CG1-CG 4.44Å; I1628-C1700 VanDerWaalsContact CD1-SG 3.57Å
1629	C	81.2	Confident	69.9	Low	66 Å²	66	57 Å²	57	45%	0.446	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	5.2	172.2	67.9	0	0	0	0	114.7	A1631 H1645	C1629-A1631 PolarHBondContact O-N 2.81Å; C1629-A1631 VanDerWaalsContact O-N 3.09Å; C1629-H1645 PolarHBondContact SG-NE2 3.22Å; C1629-H1645 VanDerWaalsContact SG-NE2 3.38Å
1630	S	77.6	Confident	72.2	Confident	92 Å²	92	57.7 Å²	57.7	64%	0.643	35%	0.351	S	S	*	.			trans	61	10.2	-178.6	-45.4	0	0	0	0	115.6	C1626	C1626-S1630 WeakPolarHBondContact O-CA 3.48Å; C1626-S1630 PolarHBondContact O-N 3.31Å
1631	A	76.7	Confident	74.7	Confident	24 Å²	24	54.4 Å²	54.4	20%	0.198	33%	0.333	C	S	.	.			trans	-71.6	138.7	175.7	0	0	0	0	0	111.1	R1625 C1626 C1629 I1633	R1625-A1631 WeakPolarHBondContact CA-O 3.39Å; C1626-A1631 PolarHBondContact N-O 2.69Å; C1629-A1631 PolarHBondContact O-N 2.81Å; C1629-A1631 VanDerWaalsContact O-N 3.09Å; A1631-I1633 HydrophobicContact CB-CD1 4.14Å; A1631-I1633 HydrophobicContact CB-CG1 4.25Å; A1631-I1633 WeakPolarHBondContact O-CD1 3.47Å
1632	A	81.3	Confident	76.5	Confident	28 Å²	28	52.7 Å²	52.7	23%	0.231	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-91.4	112.1	169.2	0	0	0	0	0	109.1	K1399 K1623 M1624	K1399-A1632 HydrophobicContact CD-CB 4.44Å; K1399-A1632 WeakPolarHBondContact CD-O 3.16Å; K1399-A1632 PolarHBondContact NZ-O 3.15Å; K1623-A1632 HydrophobicContact CB-CB 4.34Å; M1624-A1632 CarbonylContact O-C 3.44Å; M1624-A1632 WeakPolarHBondContact O-CA 3.49Å
1633	I	80.6	Confident	78	Confident	7 Å²	7	50.9 Å²	50.9	4%	0.036	29%	0.292	C	S	.	.			trans	-109.1	144.9	-173.3	-47.9	104	0	0	0	109.1	K1623 M1624 C1626 A1631 H1641 F1701	K1623-I1633 CarbonylContact C-O 3.39Å; M1624-I1633 PolarHBondContact N-O 2.98Å; M1624-I1633 VanDerWaalsContact N-O 3.15Å; M1624-I1633 PolarHBondContact O-N 3.06Å; C1626-I1633 HydrophobicContact CB-CD1 3.43Å; C1626-I1633 VanDerWaalsContact CB-CD1 3.43Å; A1631-I1633 HydrophobicContact CB-CD1 4.14Å; A1631-I1633 HydrophobicContact CB-CG1 4.25Å; A1631-I1633 WeakPolarHBondContact O-CD1 3.47Å; I1633-H1641 VanDerWaalsContact CD1-CE1 3.48Å; I1633-H1641 WeakPolarHBondContact CD1-CE1 3.37Å; I1633-H1641 HydrophobicContact CG1-CB 4.08Å; I1633-H1641 HydrophobicContact CG2-CB 3.89Å; I1633-F1701 HydrophobicContact CD1-CZ 3.98Å
1634	S	80.5	Confident	78.9	Confident	17 Å²	17	51.3 Å²	51.3	12%	0.119	30%	0.298	C	S	.	.			trans	-72.1	153.3	169.5	55.2	0	0	0	0	109.9	E1395 K1399 S1636 S1637 L1638	E1395-S1634 PolarHBondContact OE1-OG 3.47Å; E1395-S1634 WeakPolarHBondContact OE2-CB 3.48Å; E1395-S1634 PolarHBondContact OE2-OG 3.39Å; K1399-S1634 VanDerWaalsContact NZ-N 3.16Å; S1634-S1636 PolarHBondContact O-N 2.8Å; S1634-S1636 PolarHBondContact OG-OG 3.28Å; S1634-S1637 PolarHBondContact O-N 3.28Å; S1634-S1637 VanDerWaalsContact O-N 3.13Å; S1634-S1637 WeakPolarHBondContact OG-CB 3.25Å; S1634-S1637 PolarHBondContact OG-N 2.9Å; S1634-S1637 VanDerWaalsContact OG-N 3.11Å; S1634-S1637 PolarHBondContact OG-OG 2.86Å; S1634-L1638 PolarHBondContact O-N 3.17Å; S1634-L1638 VanDerWaalsContact O-N 3.11Å
1635	P	70.6	Confident	79.3	Confident	80 Å²	80	49.8 Å²	49.8	52%	0.519	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-37.9	173.1	-28.4	36.3	0	0	0	112.9	L1638	P1635-L1638 WeakPolarHBondContact O-CB 3.15Å; P1635-L1638 PolarHBondContact O-N 2.84Å
1636	S	71.3	Confident	79.5	Confident	100 Å²	100	45.4 Å²	45.4	70%	0.699	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-35.1	177.3	52.3	0	0	0	0	114.4	S1634 L1638	S1634-S1636 PolarHBondContact O-N 2.8Å; S1634-S1636 PolarHBondContact OG-OG 3.28Å; S1636-L1638 VanDerWaalsContact C-N 3.32Å
1637	S	78.5	Confident	79.3	Confident	41 Å²	41	50.9 Å²	50.9	29%	0.287	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-7.2	174.6	-76	0	0	0	0	113.8	E1395 S1634 G1639 L1640 H1641	E1395-S1637 PolarHBondContact OE1-OG 3.04Å; S1634-S1637 PolarHBondContact O-N 3.28Å; S1634-S1637 VanDerWaalsContact O-N 3.13Å; S1634-S1637 WeakPolarHBondContact OG-CB 3.25Å; S1634-S1637 PolarHBondContact OG-N 2.9Å; S1634-S1637 VanDerWaalsContact OG-N 3.11Å; S1634-S1637 PolarHBondContact OG-OG 2.86Å; S1637-G1639 PolarHBondContact O-N 3.39Å; S1637-L1640 PolarHBondContact O-N 3.29Å; S1637-H1641 WeakPolarHBondContact O-CB 3.43Å; S1637-H1641 PolarHBondContact O-N 2.72Å
1638	L	79	Confident	79.5	Confident	29 Å²	29	47 Å²	47	15%	0.152	28%	0.284	C	S	.	.	H	α-helix	trans	-55.6	-51.8	-173	179.2	59.2	0	0	0	113.1	S1634 P1635 S1636 L1640 H1641 V1642 F1701	S1634-L1638 PolarHBondContact O-N 3.17Å; S1634-L1638 VanDerWaalsContact O-N 3.11Å; P1635-L1638 WeakPolarHBondContact O-CB 3.15Å; P1635-L1638 PolarHBondContact O-N 2.84Å; S1636-L1638 VanDerWaalsContact C-N 3.32Å; L1638-L1640 VanDerWaalsContact C-N 3.32Å; L1638-L1640 PolarHBondContact O-N 3.19Å; L1638-H1641 WeakPolarHBondContact O-CB 3.43Å; L1638-H1641 PolarHBondContact O-N 3.44Å; L1638-H1641 VanDerWaalsContact O-N 3.1Å; L1638-V1642 HydrophobicContact CD1-CG2 4.02Å; L1638-V1642 WeakPolarHBondContact O-CG2 3.36Å; L1638-V1642 PolarHBondContact O-N 3.1Å; L1638-F1701 HydrophobicContact CD1-CD2 4.2Å; L1638-F1701 HydrophobicContact CD1-CE2 3.3Å; L1638-F1701 HydrophobicContact CD1-CZ 3.6Å
1639	G	80.6	Confident	79.9	Confident	19 Å²	19	47.1 Å²	47.1	20%	0.196	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-37.7	-177.2	0	0	0	0	0	113.1	S1637 R1643	S1637-G1639 PolarHBondContact O-N 3.39Å; G1639-R1643 WeakPolarHBondContact O-CB 3.13Å; G1639-R1643 VanDerWaalsContact O-CG 3.23Å; G1639-R1643 WeakPolarHBondContact O-CG 3.46Å; G1639-R1643 PolarHBondContact O-N 3.37Å; G1639-R1643 VanDerWaalsContact O-N 3.14Å
1640	L	81.7	Confident	79.8	Confident	46 Å²	46	44 Å²	44	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-71	-35.7	175.2	-161.1	76	0	0	0	111.9	S1637 L1638 N1644 L1662	S1637-L1640 PolarHBondContact O-N 3.29Å; L1638-L1640 VanDerWaalsContact C-N 3.32Å; L1638-L1640 PolarHBondContact O-N 3.19Å; L1640-N1644 VanDerWaalsContact O-CG 3.32Å; L1640-N1644 PolarHBondContact O-N 3.31Å; L1640-N1644 PolarHBondContact O-ND2 2.87Å; L1640-L1662 HydrophobicContact CD1-CD2 3.56Å; L1640-L1662 HydrophobicContact CD1-CG 3.95Å; L1640-L1662 HydrophobicContact CD2-CD1 4.34Å; L1640-L1662 HydrophobicContact CD2-CD2 4.29Å
1641	H	84.8	Confident	80.4	Confident	23 Å²	23	41.2 Å²	41.2	11%	0.106	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-49.9	174.3	161.1	81.9	0	0	0	112.2	C1626 I1633 S1637 L1638 R1643 N1644 H1645	C1626-H1641 WeakPolarHBondContact CB-NE2 3.47Å; C1626-H1641 VanDerWaalsContact SG-CE1 3.54Å; C1626-H1641 PolarHBondContact SG-NE2 3.26Å; I1633-H1641 VanDerWaalsContact CD1-CE1 3.48Å; I1633-H1641 WeakPolarHBondContact CD1-CE1 3.37Å; I1633-H1641 HydrophobicContact CG1-CB 4.08Å; I1633-H1641 HydrophobicContact CG2-CB 3.89Å; S1637-H1641 WeakPolarHBondContact O-CB 3.43Å; S1637-H1641 PolarHBondContact O-N 2.72Å; L1638-H1641 WeakPolarHBondContact O-CB 3.43Å; L1638-H1641 PolarHBondContact O-N 3.44Å; L1638-H1641 VanDerWaalsContact O-N 3.1Å; H1641-R1643 VanDerWaalsContact C-N 3.34Å; H1641-R1643 PolarHBondContact O-N 2.92Å; H1641-N1644 WeakPolarHBondContact O-CB 3.34Å; H1641-N1644 PolarHBondContact O-N 3.47Å; H1641-N1644 VanDerWaalsContact O-N 3.07Å; H1641-H1645 AromaticContact CE1-CD2 3.34Å; H1641-H1645 PolarHBondContact CE1-CD2 3.31Å; H1641-H1645 AromaticContact CE1-NE2 3.13Å; H1641-H1645 PolarHBondContact CE1-NE2 3.33Å; H1641-H1645 AromaticContact NE2-CD2 3.39Å; H1641-H1645 PolarHBondContact NE2-CD2 2.83Å; H1641-H1645 AromaticContact NE2-NE2 3.48Å; H1641-H1645 PolarHBondContact NE2-NE2 3.45Å; H1641-H1645 PolarHBondContact O-N 3.36Å
1642	V	82.8	Confident	80.7	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.03	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-36.9	-179.6	-171.9	0	0	0	0	111.1	L1638 N1644 H1645 L1646 L1693 M1696	L1638-V1642 HydrophobicContact CD1-CG2 4.02Å; L1638-V1642 WeakPolarHBondContact O-CG2 3.36Å; L1638-V1642 PolarHBondContact O-N 3.1Å; V1642-N1644 PolarHBondContact O-N 2.92Å; V1642-H1645 PolarHBondContact O-N 3.19Å; V1642-H1645 VanDerWaalsContact O-N 3.08Å; V1642-L1646 PolarHBondContact O-N 2.8Å; V1642-L1693 HydrophobicContact CB-CD2 4.2Å; V1642-L1693 HydrophobicContact CG1-CD2 3.94Å; V1642-M1696 HydrophobicContact CG1-CB 3.59Å
1643	R	86.5	Confident	80.9	Confident	24 Å²	24	40.5 Å²	40.5	9%	0.091	23%	0.227	C	C	.	.	H	α-helix	trans	-55.6	-35.2	171	-75.3	172.4	178	173.8	-0.5	112.7	G1639 H1641 D1647 Y1648 L1693	G1639-R1643 WeakPolarHBondContact O-CB 3.13Å; G1639-R1643 VanDerWaalsContact O-CG 3.23Å; G1639-R1643 WeakPolarHBondContact O-CG 3.46Å; G1639-R1643 PolarHBondContact O-N 3.37Å; G1639-R1643 VanDerWaalsContact O-N 3.14Å; H1641-R1643 VanDerWaalsContact C-N 3.34Å; H1641-R1643 PolarHBondContact O-N 2.92Å; R1643-D1647 PolarHBondContact O-N 2.86Å; R1643-Y1648 HydrophobicContact CG-CD1 4.3Å; R1643-Y1648 PolarHBondContact O-N 3.18Å; R1643-L1693 HydrophobicContact CG-CD2 3.86Å
1644	N	80.5	Confident	80.8	Confident	74 Å²	74	44.8 Å²	44.8	40%	0.396	25%	0.245	S	C	.	.	H	α-helix	trans	-71.7	-32.5	176.5	-65	-43.6	0	0	0	113	L1640 H1641 V1642 D1647	L1640-N1644 VanDerWaalsContact O-CG 3.32Å; L1640-N1644 PolarHBondContact O-N 3.31Å; L1640-N1644 PolarHBondContact O-ND2 2.87Å; H1641-N1644 WeakPolarHBondContact O-CB 3.34Å; H1641-N1644 PolarHBondContact O-N 3.47Å; H1641-N1644 VanDerWaalsContact O-N 3.07Å; V1642-N1644 PolarHBondContact O-N 2.92Å; N1644-D1647 PolarHBondContact O-N 2.61Å; N1644-D1647 VanDerWaalsContact O-N 3.15Å
1645	H	79.6	Confident	80.7	Confident	60 Å²	60	48.4 Å²	48.4	28%	0.278	26%	0.263	S	S	.	.	H	α-helix	trans	-69.6	-31.7	175.3	-84.9	-78	0	0	0	113.3	C1626 I1628 C1629 H1641 V1642 M1696	C1626-H1645 PolarHBondContact SG-NE2 2.87Å; C1626-H1645 VanDerWaalsContact SG-NE2 3.42Å; I1628-H1645 VanDerWaalsContact CG2-CE1 3.48Å; I1628-H1645 WeakPolarHBondContact CG2-CE1 3.2Å; C1629-H1645 PolarHBondContact SG-NE2 3.22Å; C1629-H1645 VanDerWaalsContact SG-NE2 3.38Å; H1641-H1645 AromaticContact CE1-CD2 3.34Å; H1641-H1645 PolarHBondContact CE1-CD2 3.31Å; H1641-H1645 AromaticContact CE1-NE2 3.13Å; H1641-H1645 PolarHBondContact CE1-NE2 3.33Å; H1641-H1645 AromaticContact NE2-CD2 3.39Å; H1641-H1645 PolarHBondContact NE2-CD2 2.83Å; H1641-H1645 AromaticContact NE2-NE2 3.48Å; H1641-H1645 PolarHBondContact NE2-NE2 3.45Å; H1641-H1645 PolarHBondContact O-N 3.36Å; V1642-H1645 PolarHBondContact O-N 3.19Å; V1642-H1645 VanDerWaalsContact O-N 3.08Å; H1645-M1696 HydrophobicContact CB-CE 3.61Å
1646	L	79.7	Confident	81.4	Confident	53 Å²	53	47.1 Å²	47.1	28%	0.277	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-2.7	171.1	-71.4	169.2	0	0	0	113.1	V1642 Y1648 I1689 K1692 L1693 M1696	V1642-L1646 PolarHBondContact O-N 2.8Å; L1646-Y1648 PolarHBondContact O-N 3.17Å; L1646-I1689 HydrophobicContact CD1-CD1 4.04Å; L1646-K1692 HydrophobicContact CD1-CB 3.96Å; L1646-K1692 HydrophobicContact CD2-CB 4.02Å; L1646-L1693 HydrophobicContact CD1-CB 4.36Å; L1646-L1693 HydrophobicContact CD1-CD2 3.71Å; L1646-L1693 HydrophobicContact CD1-CG 3.74Å; L1646-M1696 HydrophobicContact CD1-CB 4.48Å; L1646-M1696 HydrophobicContact CD1-CG 4.33Å; L1646-M1696 HydrophobicContact CD2-CG 3.56Å; L1646-M1696 HydrophobicContact CG-CB 4.38Å; L1646-M1696 HydrophobicContact CG-CG 3.85Å
1647	D	75.1	Confident	81.9	Confident	114 Å²	114	49.9 Å²	49.9	61%	0.61	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	26.9	-171.3	-135.5	-14.4	0	0	0	113	R1643 N1644 K1649	R1643-D1647 PolarHBondContact O-N 2.86Å; N1644-D1647 PolarHBondContact O-N 2.61Å; N1644-D1647 VanDerWaalsContact O-N 3.15Å; D1647-K1649 VanDerWaalsContact CG-NZ 3.27Å; D1647-K1649 PolarHBondContact O-NZ 3.24Å; D1647-K1649 IonicContact OD1-NZ 3.41Å; D1647-K1649 PolarHBondContact OD1-NZ 2.83Å; D1647-K1649 IonicContact OD2-NZ 2.82Å
1648	Y	82.1	Confident	82.4	Confident	13 Å²	13	52 Å²	52	5%	0.051	26%	0.264	C	S	.	.			trans	-81.4	130.1	-166.5	177.5	-110.3	0	0	0	112.6	R1643 L1646 P1650 C1661 S1685 E1686 I1689	R1643-Y1648 HydrophobicContact CG-CD1 4.3Å; R1643-Y1648 PolarHBondContact O-N 3.18Å; L1646-Y1648 PolarHBondContact O-N 3.17Å; Y1648-P1650 HydrophobicContact CD1-CG 4.18Å; Y1648-P1650 HydrophobicContact CE1-CB 3.78Å; Y1648-P1650 HydrophobicContact CE1-CG 3.6Å; Y1648-P1650 HydrophobicContact CE2-CB 4.46Å; Y1648-C1661 WeakPolarHBondContact O-CB 3.41Å; Y1648-S1685 VanDerWaalsContact OH-CA 3.24Å; Y1648-S1685 WeakPolarHBondContact OH-CA 3.44Å; Y1648-E1686 HydrophobicContact CE2-CB 4.38Å; Y1648-E1686 HydrophobicContact CE2-CG 4.32Å; Y1648-E1686 PolarHBondContact OH-N 2.95Å; Y1648-I1689 HydrophobicContact CD1-CD1 4.1Å; Y1648-I1689 HydrophobicContact CD1-CG1 3.88Å; Y1648-I1689 HydrophobicContact CD2-CD1 3.34Å; Y1648-I1689 HydrophobicContact CD2-CG1 3.75Å; Y1648-I1689 HydrophobicContact CE1-CD1 4.33Å; Y1648-I1689 HydrophobicContact CE1-CG1 3.69Å; Y1648-I1689 HydrophobicContact CE1-CG2 4.47Å; Y1648-I1689 HydrophobicContact CE2-CB 4.11Å; Y1648-I1689 HydrophobicContact CE2-CD1 3.62Å; Y1648-I1689 HydrophobicContact CE2-CG1 3.57Å; Y1648-I1689 HydrophobicContact CG-CD1 3.58Å; Y1648-I1689 HydrophobicContact CG-CG1 3.88Å
1649	K	86.4	Confident	82.7	Confident	75 Å²	75	55.8 Å²	55.8	33%	0.326	28%	0.279	S	S	.	.			trans	-138.7	75.3	-166.8	-65.8	179.5	-161.7	76.3	0	111.3	D1647 F1651 H1652 K1659 S1660	D1647-K1649 VanDerWaalsContact CG-NZ 3.27Å; D1647-K1649 PolarHBondContact O-NZ 3.24Å; D1647-K1649 IonicContact OD1-NZ 3.41Å; D1647-K1649 PolarHBondContact OD1-NZ 2.83Å; D1647-K1649 IonicContact OD2-NZ 2.82Å; K1649-F1651 VanDerWaalsContact C-N 3.35Å; K1649-F1651 PolarHBondContact O-N 3.08Å; K1649-H1652 PolarHBondContact O-CE1 2.74Å; K1649-K1659 HydrophobicContact CB-CB 3.97Å; K1649-K1659 HydrophobicContact CD-CB 4.46Å; K1649-S1660 CarbonylContact C-O 2.88Å; K1649-S1660 VanDerWaalsContact CA-O 3.25Å; K1649-S1660 WeakPolarHBondContact CA-O 3.45Å
1650	P	79.8	Confident	83.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.271	C	S	.	.			trans	-75.9	-21.3	-170.4	31	-35.6	0	0	0	113.5	Y1648 H1652 Y1683 K1684	Y1648-P1650 HydrophobicContact CD1-CG 4.18Å; Y1648-P1650 HydrophobicContact CE1-CB 3.78Å; Y1648-P1650 HydrophobicContact CE1-CG 3.6Å; Y1648-P1650 HydrophobicContact CE2-CB 4.46Å; P1650-H1652 PolarHBondContact O-N 3.46Å; P1650-H1652 PolarHBondContact O-ND1 3.28Å; P1650-Y1683 HydrophobicContact CB-CD2 3.77Å; P1650-Y1683 HydrophobicContact CB-CE2 3.46Å; P1650-Y1683 VanDerWaalsContact CB-CE2 3.46Å; P1650-Y1683 HydrophobicContact CG-CD2 4.21Å; P1650-Y1683 HydrophobicContact CG-CE2 3.63Å; P1650-Y1683 CarbonylContact O-C 3.16Å; P1650-Y1683 WeakPolarHBondContact O-CA 3.25Å; P1650-K1684 WeakPolarHBondContact CA-O 3.47Å; P1650-K1684 WeakPolarHBondContact CB-O 3.45Å; P1650-K1684 PolarHBondContact O-N 3.41Å
1651	F	90.6	Very high	83.2	Confident	33 Å²	33	53.4 Å²	53.4	15%	0.145	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	116.6	178.8	-54.7	-76.2	0	0	0	110.1	K1649 K1659 S1660 L1662 L1663 V1666 V1681 Y1683	K1649-F1651 VanDerWaalsContact C-N 3.35Å; K1649-F1651 PolarHBondContact O-N 3.08Å; F1651-K1659 CarbonylContact O-C 3.48Å; F1651-K1659 VanDerWaalsContact O-CA 3.31Å; F1651-K1659 WeakPolarHBondContact O-CA 3.5Å; F1651-S1660 PolarHBondContact N-O 2.74Å; F1651-S1660 VanDerWaalsContact N-O 3.15Å; F1651-S1660 PolarHBondContact O-N 3.43Å; F1651-L1662 VanDerWaalsContact CD2-C 3.45Å; F1651-L1663 HydrophobicContact CD1-CB 3.79Å; F1651-L1663 HydrophobicContact CD1-CD1 3.83Å; F1651-L1663 HydrophobicContact CD1-CG 4.32Å; F1651-L1663 HydrophobicContact CD2-CB 4.37Å; F1651-L1663 VanDerWaalsContact CD2-N 3.27Å; F1651-L1663 HydrophobicContact CE1-CB 3.72Å; F1651-L1663 HydrophobicContact CE1-CD1 4.24Å; F1651-L1663 HydrophobicContact CE1-CD2 4.4Å; F1651-L1663 HydrophobicContact CE1-CG 4.34Å; F1651-L1663 HydrophobicContact CE2-CB 4.3Å; F1651-L1663 HydrophobicContact CG-CB 4.12Å; F1651-L1663 HydrophobicContact CZ-CB 3.98Å; F1651-V1666 HydrophobicContact CB-CB 4.5Å; F1651-V1666 HydrophobicContact CB-CG2 3.51Å; F1651-V1666 WeakPolarHBondContact O-CG2 3.27Å; F1651-V1681 HydrophobicContact CB-CG1 4.12Å; F1651-V1681 HydrophobicContact CD1-CG1 4.35Å; F1651-Y1683 AromaticContact CD1-CD2 3.92Å; F1651-Y1683 HydrophobicContact CD1-CD2 3.92Å; F1651-Y1683 AromaticContact CE1-CD2 3.66Å; F1651-Y1683 HydrophobicContact CE1-CD2 3.66Å; F1651-Y1683 HydrophobicContact CE1-CE2 4.01Å; F1651-Y1683 HydrophobicContact CZ-CD2 4.19Å; F1651-Y1683 HydrophobicContact CZ-CE2 4.07Å
1652	H	82.9	Confident	83.2	Confident	27 Å²	27	55.2 Å²	55.2	13%	0.125	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	139.9	-177.6	-64.9	62.1	0	0	0	110.6	K1649 P1650 K1659 V1682	K1649-H1652 PolarHBondContact O-CE1 2.74Å; P1650-H1652 PolarHBondContact O-N 3.46Å; P1650-H1652 PolarHBondContact O-ND1 3.28Å; H1652-K1659 WeakPolarHBondContact CD2-CE 3.44Å; H1652-K1659 PolarHBondContact CD2-NZ 3.19Å; H1652-K1659 WeakPolarHBondContact NE2-CD 3.28Å; H1652-K1659 WeakPolarHBondContact NE2-CE 3.37Å; H1652-K1659 PolarHBondContact NE2-NZ 3.12Å; H1652-V1682 HydrophobicContact CB-CB 4.41Å; H1652-V1682 WeakPolarHBondContact CB-O 3.36Å; H1652-V1682 PolarHBondContact N-O 3.23Å; H1652-V1682 PolarHBondContact O-N 3.44Å
1653	C	84.3	Confident	83.3	Confident	11 Å²	11	56.4 Å²	56.4	7%	0.074	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	136.8	165.3	-177.2	0	0	0	0	109.9	L1655 C1656 Y1658 V1666 H1669 L1670 H1674	C1653-L1655 VanDerWaalsContact C-N 3.27Å; C1653-L1655 PolarHBondContact SG-N 3.28Å; C1653-C1656 WeakPolarHBondContact CB-O 3.03Å; C1653-C1656 VanDerWaalsContact O-O 3.11Å; C1653-Y1658 PolarHBondContact N-O 3.49Å; C1653-V1666 HydrophobicContact CB-CG1 4.01Å; C1653-H1669 VanDerWaalsContact SG-CD2 3.58Å; C1653-L1670 WeakPolarHBondContact SG-CD2 3.31Å; C1653-H1674 PolarHBondContact SG-NE2 2.86Å
1654	K	78.9	Confident	83.1	Confident	96 Å²	96	58 Å²	58	42%	0.417	30%	0.298	S	S	.	.	S	Bend	trans	-67	-29.8	170.1	-73.6	-166.4	-171.9	179.8	0	113	E1680 V1682	K1654-E1680 HydrophobicContact CD-CB 3.89Å; K1654-E1680 VanDerWaalsContact CD-OE2 3.23Å; K1654-E1680 WeakPolarHBondContact CD-OE2 2.89Å; K1654-E1680 WeakPolarHBondContact CE-OE2 3.18Å; K1654-E1680 HydrophobicContact CG-CB 4.46Å; K1654-E1680 IonicContact NZ-OE1 3.36Å; K1654-E1680 PolarHBondContact NZ-OE1 3.04Å; K1654-E1680 IonicContact NZ-OE2 2.64Å; K1654-E1680 PolarHBondContact NZ-OE2 2.99Å; K1654-V1682 HydrophobicContact CD-CG2 4.04Å; K1654-V1682 HydrophobicContact CG-CB 4.47Å; K1654-V1682 HydrophobicContact CG-CG2 3.45Å; K1654-V1682 VanDerWaalsContact CG-CG2 3.45Å
1655	L	79.2	Confident	83.4	Confident	94 Å²	94	59 Å²	59	49%	0.492	30%	0.296	S	S	.	.	S	Bend	trans	-97.3	-9.4	-164	-58.2	176.9	0	0	0	114.4	C1653 L1670 H1674	C1653-L1655 VanDerWaalsContact C-N 3.27Å; C1653-L1655 PolarHBondContact SG-N 3.28Å; L1655-L1670 HydrophobicContact CD1-CD2 4.09Å; L1655-H1674 VanDerWaalsContact C-CE1 3.41Å; L1655-H1674 WeakPolarHBondContact CB-CE1 3.44Å; L1655-H1674 VanDerWaalsContact CB-ND1 3.31Å; L1655-H1674 WeakPolarHBondContact CB-ND1 3.45Å; L1655-H1674 HydrophobicContact CD1-CB 3.69Å; L1655-H1674 PolarHBondContact O-CE1 3.12Å; L1655-H1674 VanDerWaalsContact O-CE1 3.24Å
1656	C	84.4	Confident	83.6	Confident	52 Å²	52	56.2 Å²	56.2	35%	0.351	28%	0.283	S	S	.	.	S	Bend	trans	-165.8	174.5	163.8	73	0	0	0	0	111.3	C1653 Y1658 H1669 H1674	C1653-C1656 WeakPolarHBondContact CB-O 3.03Å; C1653-C1656 VanDerWaalsContact O-O 3.11Å; C1656-Y1658 PolarHBondContact O-N 3.05Å; C1656-H1669 PolarHBondContact SG-CE1 2.87Å; C1656-H1669 PolarHBondContact SG-NE2 2.9Å; C1656-H1674 PolarHBondContact SG-NE2 3.2Å
1657	D	82.2	Confident	83.9	Confident	159 Å²	159	56.6 Å²	56.6	85%	0.85	28%	0.281	S	S	*	.	S	Bend	trans	-67.3	18	-173.2	-46.7	-69.9	0	0	0	116.5	K1659	D1657-K1659 PolarHBondContact O-N 2.95Å
1658	Y	88.5	Confident	84.2	Confident	84 Å²	84	54.5 Å²	54.5	33%	0.329	27%	0.268	S	S	.	.			trans	-71.6	125.9	178.5	-174.7	-93.6	0	0	0	111.7	C1653 C1656 V1666 H1669	C1653-Y1658 PolarHBondContact N-O 3.49Å; C1656-Y1658 PolarHBondContact O-N 3.05Å; Y1658-V1666 HydrophobicContact CD1-CG1 4.42Å; Y1658-V1666 HydrophobicContact CD1-CG2 4.26Å; Y1658-V1666 HydrophobicContact CE1-CG2 4.14Å; Y1658-H1669 HydrophobicContact CD1-CB 3.63Å; Y1658-H1669 AromaticContact CD1-CD2 3.97Å; Y1658-H1669 AromaticContact CD1-CG 3.51Å; Y1658-H1669 AromaticContact CD1-ND1 3.93Å; Y1658-H1669 AromaticContact CD2-ND1 3.66Å; Y1658-H1669 HydrophobicContact CE1-CB 3.7Å; Y1658-H1669 HydrophobicContact CG-CB 4.11Å; Y1658-H1669 AromaticContact CG-CD2 3.98Å; Y1658-H1669 AromaticContact CG-CE1 3.85Å; Y1658-H1669 AromaticContact CG-CG 3.54Å; Y1658-H1669 AromaticContact CG-ND1 3.46Å
1659	K	85.3	Confident	84.4	Confident	110 Å²	110	55.1 Å²	55.1	48%	0.478	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.2	179.9	-51.5	-172.6	-178.3	-150.5	0	111.6	K1649 F1651 H1652 D1657	K1649-K1659 HydrophobicContact CB-CB 3.97Å; K1649-K1659 HydrophobicContact CD-CB 4.46Å; F1651-K1659 CarbonylContact O-C 3.48Å; F1651-K1659 VanDerWaalsContact O-CA 3.31Å; F1651-K1659 WeakPolarHBondContact O-CA 3.5Å; H1652-K1659 WeakPolarHBondContact CD2-CE 3.44Å; H1652-K1659 PolarHBondContact CD2-NZ 3.19Å; H1652-K1659 WeakPolarHBondContact NE2-CD 3.28Å; H1652-K1659 WeakPolarHBondContact NE2-CE 3.37Å; H1652-K1659 PolarHBondContact NE2-NZ 3.12Å; D1657-K1659 PolarHBondContact O-N 2.95Å
1660	S	90.5	Very high	84.2	Confident	4 Å²	4	51.6 Å²	51.6	3%	0.028	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	151.9	-178.2	177.1	0	0	0	0	113.3	K1649 F1651 L1662 R1665	K1649-S1660 CarbonylContact C-O 2.88Å; K1649-S1660 VanDerWaalsContact CA-O 3.25Å; K1649-S1660 WeakPolarHBondContact CA-O 3.45Å; F1651-S1660 PolarHBondContact N-O 2.74Å; F1651-S1660 VanDerWaalsContact N-O 3.15Å; F1651-S1660 PolarHBondContact O-N 3.43Å; S1660-L1662 WeakPolarHBondContact CB-O 3.42Å; S1660-L1662 PolarHBondContact OG-N 2.98Å; S1660-L1662 PolarHBondContact OG-O 2.95Å; S1660-R1665 WeakPolarHBondContact OG-CB 3.32Å
1661	C	83.3	Confident	84.3	Confident	10 Å²	10	56.3 Å²	56.3	7%	0.068	28%	0.278	C	S	.	.	S	Bend	trans	-76.8	-5.8	166.7	57.7	0	0	0	0	113.9	Y1648	Y1648-C1661 WeakPolarHBondContact O-CB 3.41Å
1662	L	85	Confident	84	Confident	61 Å²	61	58.8 Å²	58.8	32%	0.319	30%	0.299	S	S	.	.	S	Bend	trans	-135.5	128.6	-178.8	-73	170.4	0	0	0	111.7	L1640 F1651 S1660 A1664 R1665	L1640-L1662 HydrophobicContact CD1-CD2 3.56Å; L1640-L1662 HydrophobicContact CD1-CG 3.95Å; L1640-L1662 HydrophobicContact CD2-CD1 4.34Å; L1640-L1662 HydrophobicContact CD2-CD2 4.29Å; F1651-L1662 VanDerWaalsContact CD2-C 3.45Å; S1660-L1662 WeakPolarHBondContact CB-O 3.42Å; S1660-L1662 PolarHBondContact OG-N 2.98Å; S1660-L1662 PolarHBondContact OG-O 2.95Å; L1662-A1664 PolarHBondContact O-N 2.9Å; L1662-R1665 HydrophobicContact CB-CG 4.4Å; L1662-R1665 PolarHBondContact O-N 3.29Å
1663	L	84	Confident	83.9	Confident	30 Å²	30	60.3 Å²	60.3	16%	0.157	32%	0.316	C	S	.	.	H	α-helix	trans	-55.2	-45.7	176.4	179.8	53.2	0	0	0	112.8	F1651 R1665 V1666 R1667 V1681	F1651-L1663 HydrophobicContact CD1-CB 3.79Å; F1651-L1663 HydrophobicContact CD1-CD1 3.83Å; F1651-L1663 HydrophobicContact CD1-CG 4.32Å; F1651-L1663 HydrophobicContact CD2-CB 4.37Å; F1651-L1663 VanDerWaalsContact CD2-N 3.27Å; F1651-L1663 HydrophobicContact CE1-CB 3.72Å; F1651-L1663 HydrophobicContact CE1-CD1 4.24Å; F1651-L1663 HydrophobicContact CE1-CD2 4.4Å; F1651-L1663 HydrophobicContact CE1-CG 4.34Å; F1651-L1663 HydrophobicContact CE2-CB 4.3Å; F1651-L1663 HydrophobicContact CG-CB 4.12Å; F1651-L1663 HydrophobicContact CZ-CB 3.98Å; L1663-R1665 PolarHBondContact O-N 2.82Å; L1663-R1665 VanDerWaalsContact O-N 3.14Å; L1663-V1666 WeakPolarHBondContact O-CA 3.47Å; L1663-V1666 PolarHBondContact O-N 3.46Å; L1663-R1667 HydrophobicContact CD1-CG 4.41Å; L1663-R1667 PolarHBondContact O-N 2.88Å; L1663-V1681 HydrophobicContact CD1-CB 3.81Å; L1663-V1681 HydrophobicContact CD1-CG1 3.64Å; L1663-V1681 HydrophobicContact CD1-CG2 3.8Å
1664	A	83.6	Confident	83.6	Confident	59 Å²	59	62.3 Å²	62.3	49%	0.488	32%	0.324	S	S	.	.	H	α-helix	trans	-56.2	-32.3	-179.4	0	0	0	0	0	113.6	L1662 Q1668	L1662-A1664 PolarHBondContact O-N 2.9Å; A1664-Q1668 WeakPolarHBondContact O-CB 3.42Å; A1664-Q1668 PolarHBondContact O-N 3.24Å
1665	R	86.8	Confident	83.1	Confident	95 Å²	95	65.3 Å²	65.3	36%	0.358	34%	0.34	S	S	.	.	H	α-helix	trans	-73	-30.3	175.2	-72.2	178.6	177.7	162	1	112.5	S1660 L1662 L1663 H1669	S1660-R1665 WeakPolarHBondContact OG-CB 3.32Å; L1662-R1665 HydrophobicContact CB-CG 4.4Å; L1662-R1665 PolarHBondContact O-N 3.29Å; L1663-R1665 PolarHBondContact O-N 2.82Å; L1663-R1665 VanDerWaalsContact O-N 3.14Å; R1665-H1669 WeakPolarHBondContact O-CB 3.43Å; R1665-H1669 PolarHBondContact O-N 3.2Å
1666	V	83.4	Confident	82.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-77	-38.1	173.9	-165.2	0	0	0	0	110.9	F1651 C1653 Y1658 L1663 Q1668 H1669 L1670 V1681	F1651-V1666 HydrophobicContact CB-CB 4.5Å; F1651-V1666 HydrophobicContact CB-CG2 3.51Å; F1651-V1666 WeakPolarHBondContact O-CG2 3.27Å; C1653-V1666 HydrophobicContact CB-CG1 4.01Å; Y1658-V1666 HydrophobicContact CD1-CG1 4.42Å; Y1658-V1666 HydrophobicContact CD1-CG2 4.26Å; Y1658-V1666 HydrophobicContact CE1-CG2 4.14Å; L1663-V1666 WeakPolarHBondContact O-CA 3.47Å; L1663-V1666 PolarHBondContact O-N 3.46Å; V1666-Q1668 VanDerWaalsContact C-N 3.35Å; V1666-Q1668 PolarHBondContact O-N 3.38Å; V1666-H1669 WeakPolarHBondContact O-CB 3.38Å; V1666-H1669 PolarHBondContact O-N 3.43Å; V1666-H1669 VanDerWaalsContact O-N 3.15Å; V1666-L1670 WeakPolarHBondContact O-CG 3.31Å; V1666-L1670 PolarHBondContact O-N 3.34Å; V1666-V1681 HydrophobicContact CB-CG1 4.07Å; V1666-V1681 HydrophobicContact CB-CG2 3.96Å; V1666-V1681 HydrophobicContact CG1-CB 4.43Å; V1666-V1681 HydrophobicContact CG1-CG1 3.95Å; V1666-V1681 HydrophobicContact CG1-CG2 3.79Å; V1666-V1681 HydrophobicContact CG2-CG1 4.47Å
1667	R	86.1	Confident	80.9	Confident	61 Å²	61	68.5 Å²	68.5	23%	0.23	35%	0.352	C	S	.	.	H	α-helix	trans	-57.7	-46.1	169.1	-68.3	-177.6	171.5	145.3	3.2	111.1	L1663 H1669 L1670 Q1671 L1679 V1681	L1663-R1667 HydrophobicContact CD1-CG 4.41Å; L1663-R1667 PolarHBondContact O-N 2.88Å; R1667-H1669 VanDerWaalsContact C-N 3.34Å; R1667-H1669 PolarHBondContact O-N 3.21Å; R1667-L1670 PolarHBondContact O-N 3Å; R1667-Q1671 WeakPolarHBondContact O-CG 3.44Å; R1667-Q1671 PolarHBondContact O-N 3.06Å; R1667-Q1671 VanDerWaalsContact O-N 3.16Å; R1667-L1679 HydrophobicContact CB-CD1 4.31Å; R1667-L1679 HydrophobicContact CB-CD2 4.08Å; R1667-L1679 HydrophobicContact CG-CD1 4.09Å; R1667-L1679 HydrophobicContact CG-CD2 4.2Å; R1667-V1681 HydrophobicContact CG-CG2 4.31Å
1668	Q	81.5	Confident	79.6	Confident	71 Å²	71	66.7 Å²	66.7	33%	0.332	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-37.3	173.4	-170.7	-176.3	30.3	0	0	112.9	A1664 V1666 S1672	A1664-Q1668 WeakPolarHBondContact O-CB 3.42Å; A1664-Q1668 PolarHBondContact O-N 3.24Å; V1666-Q1668 VanDerWaalsContact C-N 3.35Å; V1666-Q1668 PolarHBondContact O-N 3.38Å; Q1668-S1672 WeakPolarHBondContact O-CB 3.43Å; Q1668-S1672 PolarHBondContact O-N 2.78Å; Q1668-S1672 VanDerWaalsContact O-N 3.13Å; Q1668-S1672 PolarHBondContact O-OG 3.47Å
1669	H	86.6	Confident	78.4	Confident	25 Å²	25	65 Å²	65	12%	0.116	34%	0.338	C	S	.	.	H	α-helix	trans	-66.5	-46.3	175.3	169.2	83.1	0	0	0	112.1	C1653 C1656 Y1658 R1665 V1666 R1667 Q1671 S1672 A1673 H1674	C1653-H1669 VanDerWaalsContact SG-CD2 3.58Å; C1656-H1669 PolarHBondContact SG-CE1 2.87Å; C1656-H1669 PolarHBondContact SG-NE2 2.9Å; Y1658-H1669 HydrophobicContact CD1-CB 3.63Å; Y1658-H1669 AromaticContact CD1-CD2 3.97Å; Y1658-H1669 AromaticContact CD1-CG 3.51Å; Y1658-H1669 AromaticContact CD1-ND1 3.93Å; Y1658-H1669 AromaticContact CD2-ND1 3.66Å; Y1658-H1669 HydrophobicContact CE1-CB 3.7Å; Y1658-H1669 HydrophobicContact CG-CB 4.11Å; Y1658-H1669 AromaticContact CG-CD2 3.98Å; Y1658-H1669 AromaticContact CG-CE1 3.85Å; Y1658-H1669 AromaticContact CG-CG 3.54Å; Y1658-H1669 AromaticContact CG-ND1 3.46Å; R1665-H1669 WeakPolarHBondContact O-CB 3.43Å; R1665-H1669 PolarHBondContact O-N 3.2Å; V1666-H1669 WeakPolarHBondContact O-CB 3.38Å; V1666-H1669 PolarHBondContact O-N 3.43Å; V1666-H1669 VanDerWaalsContact O-N 3.15Å; R1667-H1669 VanDerWaalsContact C-N 3.34Å; R1667-H1669 PolarHBondContact O-N 3.21Å; H1669-Q1671 PolarHBondContact O-N 3.41Å; H1669-S1672 PolarHBondContact O-N 3.2Å; H1669-S1672 PolarHBondContact O-OG 3.04Å; H1669-A1673 WeakPolarHBondContact CE1-CB 3.14Å; H1669-A1673 VanDerWaalsContact O-CB 3.27Å; H1669-A1673 WeakPolarHBondContact O-CB 3.34Å; H1669-A1673 PolarHBondContact O-N 3.3Å; H1669-H1674 AromaticContact CD2-CD2 3.82Å; H1669-H1674 AromaticContact CD2-NE2 3.92Å; H1669-H1674 AromaticContact CE1-NE2 3.8Å; H1669-H1674 AromaticContact NE2-CD2 3.31Å; H1669-H1674 PolarHBondContact NE2-CD2 3.4Å; H1669-H1674 VanDerWaalsContact NE2-CD2 3.31Å; H1669-H1674 AromaticContact NE2-NE2 2.98Å; H1669-H1674 PolarHBondContact NE2-NE2 2.77Å
1670	L	81.3	Confident	77.2	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.01	34%	0.337	C	S	.	.	I	π-helix	trans	-55	-53.3	176.1	-76.5	165.9	0	0	0	110.8	C1653 L1655 V1666 R1667 S1672 H1674 Q1675 L1679 V1681	C1653-L1670 WeakPolarHBondContact SG-CD2 3.31Å; L1655-L1670 HydrophobicContact CD1-CD2 4.09Å; V1666-L1670 WeakPolarHBondContact O-CG 3.31Å; V1666-L1670 PolarHBondContact O-N 3.34Å; R1667-L1670 PolarHBondContact O-N 3Å; L1670-S1672 VanDerWaalsContact C-N 3.29Å; L1670-S1672 PolarHBondContact O-N 3.16Å; L1670-H1674 CarbonylContact O-C 3.4Å; L1670-H1674 WeakPolarHBondContact O-CA 3.35Å; L1670-H1674 WeakPolarHBondContact O-CB 3.24Å; L1670-H1674 PolarHBondContact O-N 2.66Å; L1670-Q1675 PolarHBondContact O-N 3.32Å; L1670-L1679 HydrophobicContact CB-CD2 3.89Å; L1670-L1679 HydrophobicContact CD1-CD2 3.9Å; L1670-V1681 HydrophobicContact CD1-CG2 3.63Å
1671	Q	82.4	Confident	76.4	Confident	99 Å²	99	65 Å²	65	46%	0.463	34%	0.341	S	S	.	.	I	π-helix	trans	-59.8	-32.9	178.6	-69.6	176.9	-10.4	0	0	113.9	R1667 H1669 L1679	R1667-Q1671 WeakPolarHBondContact O-CG 3.44Å; R1667-Q1671 PolarHBondContact O-N 3.06Å; R1667-Q1671 VanDerWaalsContact O-N 3.16Å; H1669-Q1671 PolarHBondContact O-N 3.41Å; Q1671-L1679 HydrophobicContact CG-CD2 4.26Å
1672	S	83.9	Confident	76.3	Confident	85 Å²	85	66.3 Å²	66.3	59%	0.594	35%	0.349	S	S	*	.	I	π-helix	trans	-99.9	-27.7	-172.9	60.8	0	0	0	0	115.5	Q1668 H1669 L1670	Q1668-S1672 WeakPolarHBondContact O-CB 3.43Å; Q1668-S1672 PolarHBondContact O-N 2.78Å; Q1668-S1672 VanDerWaalsContact O-N 3.13Å; Q1668-S1672 PolarHBondContact O-OG 3.47Å; H1669-S1672 PolarHBondContact O-N 3.2Å; H1669-S1672 PolarHBondContact O-OG 3.04Å; L1670-S1672 VanDerWaalsContact C-N 3.29Å; L1670-S1672 PolarHBondContact O-N 3.16Å
1673	A	80.1	Confident	76.3	Confident	58 Å²	58	66.6 Å²	66.6	48%	0.479	35%	0.346	S	S	.	.	I	π-helix	trans	-104.4	-30.1	-177.9	0	0	0	0	0	113.3	H1669	H1669-A1673 WeakPolarHBondContact CE1-CB 3.14Å; H1669-A1673 VanDerWaalsContact O-CB 3.27Å; H1669-A1673 WeakPolarHBondContact O-CB 3.34Å; H1669-A1673 PolarHBondContact O-N 3.3Å
1674	H	79.5	Confident	75.8	Confident	54 Å²	54	71.3 Å²	71.3	25%	0.25	37%	0.365	C	S	.	.	I	π-helix	trans	-111.7	-25	-177.4	-61.8	-72.7	0	0	0	113.4	C1653 L1655 C1656 H1669 L1670 C1676	C1653-H1674 PolarHBondContact SG-NE2 2.86Å; L1655-H1674 VanDerWaalsContact C-CE1 3.41Å; L1655-H1674 WeakPolarHBondContact CB-CE1 3.44Å; L1655-H1674 VanDerWaalsContact CB-ND1 3.31Å; L1655-H1674 WeakPolarHBondContact CB-ND1 3.45Å; L1655-H1674 HydrophobicContact CD1-CB 3.69Å; L1655-H1674 PolarHBondContact O-CE1 3.12Å; L1655-H1674 VanDerWaalsContact O-CE1 3.24Å; C1656-H1674 PolarHBondContact SG-NE2 3.2Å; H1669-H1674 AromaticContact CD2-CD2 3.82Å; H1669-H1674 AromaticContact CD2-NE2 3.92Å; H1669-H1674 AromaticContact CE1-NE2 3.8Å; H1669-H1674 AromaticContact NE2-CD2 3.31Å; H1669-H1674 PolarHBondContact NE2-CD2 3.4Å; H1669-H1674 VanDerWaalsContact NE2-CD2 3.31Å; H1669-H1674 AromaticContact NE2-NE2 2.98Å; H1669-H1674 PolarHBondContact NE2-NE2 2.77Å; L1670-H1674 CarbonylContact O-C 3.4Å; L1670-H1674 WeakPolarHBondContact O-CA 3.35Å; L1670-H1674 WeakPolarHBondContact O-CB 3.24Å; L1670-H1674 PolarHBondContact O-N 2.66Å; H1674-C1676 PolarHBondContact O-N 3.25Å; H1674-C1676 VanDerWaalsContact O-N 3.14Å
1675	Q	66.6	Low	75.2	Confident	159 Å²	159	71.7 Å²	71.7	74%	0.743	36%	0.364	S	S	*	.			trans	63.2	9.9	179.3	-54.9	179.7	4.8	0	0	114.6	L1670	L1670-Q1675 PolarHBondContact O-N 3.32Å
1676	C	60.7	Low	74.6	Confident	47 Å²	47	71.7 Å²	71.7	32%	0.318	37%	0.368	S	S	.	.			trans	-60.6	139.6	160.3	-62	0	0	0	0	109.4	H1674	H1674-C1676 PolarHBondContact O-N 3.25Å; H1674-C1676 VanDerWaalsContact O-N 3.14Å
1677	Q	56.9	Low	74	Confident	166 Å²	166	77 Å²	77	78%	0.776	40%	0.402	S	S	*	.	S	Bend	trans	-88.3	-33.2	173.9	-64.2	179.9	15.9	0	0	109.7
1678	D	54.9	Low	73.6	Confident	120 Å²	120	77.9 Å²	77.9	64%	0.642	41%	0.412	S	S	*	.	S	Bend	trans	-78.4	126.7	179.8	-25.3	-76.5	0	0	0	110.4	E1680	D1678-E1680 PolarHBondContact O-N 3.48Å
1679	L	64	Low	73.4	Confident	48 Å²	48	75.1 Å²	75.1	25%	0.251	40%	0.399	S	S	.	.			trans	-102.3	57.5	-157.1	-76.4	172.6	0	0	0	115.3	R1667 L1670 Q1671 V1681	R1667-L1679 HydrophobicContact CB-CD1 4.31Å; R1667-L1679 HydrophobicContact CB-CD2 4.08Å; R1667-L1679 HydrophobicContact CG-CD1 4.09Å; R1667-L1679 HydrophobicContact CG-CD2 4.2Å; L1670-L1679 HydrophobicContact CB-CD2 3.89Å; L1670-L1679 HydrophobicContact CD1-CD2 3.9Å; Q1671-L1679 HydrophobicContact CG-CD2 4.26Å; L1679-V1681 PolarHBondContact O-N 3.14Å
1680	E	61.2	Low	72.8	Confident	96 Å²	96	77.8 Å²	77.8	45%	0.449	41%	0.408	S	S	.	.			trans	-69.4	89.5	176.5	-64.8	-148.8	114.2	0	0	114.1	K1654 D1678	K1654-E1680 HydrophobicContact CD-CB 3.89Å; K1654-E1680 VanDerWaalsContact CD-OE2 3.23Å; K1654-E1680 WeakPolarHBondContact CD-OE2 2.89Å; K1654-E1680 WeakPolarHBondContact CE-OE2 3.18Å; K1654-E1680 HydrophobicContact CG-CB 4.46Å; K1654-E1680 IonicContact NZ-OE1 3.36Å; K1654-E1680 PolarHBondContact NZ-OE1 3.04Å; K1654-E1680 IonicContact NZ-OE2 2.64Å; K1654-E1680 PolarHBondContact NZ-OE2 2.99Å; D1678-E1680 PolarHBondContact O-N 3.48Å
1681	V	73.7	Confident	72.6	Confident	18 Å²	18	84.4 Å²	84.4	11%	0.109	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	138.5	167.2	-179.4	0	0	0	0	109.8	F1651 L1663 V1666 R1667 L1670 L1679	F1651-V1681 HydrophobicContact CB-CG1 4.12Å; F1651-V1681 HydrophobicContact CD1-CG1 4.35Å; L1663-V1681 HydrophobicContact CD1-CB 3.81Å; L1663-V1681 HydrophobicContact CD1-CG1 3.64Å; L1663-V1681 HydrophobicContact CD1-CG2 3.8Å; V1666-V1681 HydrophobicContact CB-CG1 4.07Å; V1666-V1681 HydrophobicContact CB-CG2 3.96Å; V1666-V1681 HydrophobicContact CG1-CB 4.43Å; V1666-V1681 HydrophobicContact CG1-CG1 3.95Å; V1666-V1681 HydrophobicContact CG1-CG2 3.79Å; V1666-V1681 HydrophobicContact CG2-CG1 4.47Å; R1667-V1681 HydrophobicContact CG-CG2 4.31Å; L1670-V1681 HydrophobicContact CD1-CG2 3.63Å; L1679-V1681 PolarHBondContact O-N 3.14Å
1682	V	79.9	Confident	72.4	Confident	39 Å²	39	82.8 Å²	82.8	24%	0.236	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122	170.7	166.9	0	0	0	0	109.5	H1652 K1654 K1684	H1652-V1682 HydrophobicContact CB-CB 4.41Å; H1652-V1682 WeakPolarHBondContact CB-O 3.36Å; H1652-V1682 PolarHBondContact N-O 3.23Å; H1652-V1682 PolarHBondContact O-N 3.44Å; K1654-V1682 HydrophobicContact CD-CG2 4.04Å; K1654-V1682 HydrophobicContact CG-CB 4.47Å; K1654-V1682 HydrophobicContact CG-CG2 3.45Å; K1654-V1682 VanDerWaalsContact CG-CG2 3.45Å; V1682-K1684 HydrophobicContact CG1-CD 4.36Å; V1682-K1684 HydrophobicContact CG1-CG 3.62Å
1683	Y	84.2	Confident	72.2	Confident	67 Å²	67	80.1 Å²	80.1	26%	0.263	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	130.4	160.8	-166.2	-115	0	0	0	108.5	P1650 F1651 E1945	P1650-Y1683 HydrophobicContact CB-CD2 3.77Å; P1650-Y1683 HydrophobicContact CB-CE2 3.46Å; P1650-Y1683 VanDerWaalsContact CB-CE2 3.46Å; P1650-Y1683 HydrophobicContact CG-CD2 4.21Å; P1650-Y1683 HydrophobicContact CG-CE2 3.63Å; P1650-Y1683 CarbonylContact O-C 3.16Å; P1650-Y1683 WeakPolarHBondContact O-CA 3.25Å; F1651-Y1683 AromaticContact CD1-CD2 3.92Å; F1651-Y1683 HydrophobicContact CD1-CD2 3.92Å; F1651-Y1683 AromaticContact CE1-CD2 3.66Å; F1651-Y1683 HydrophobicContact CE1-CD2 3.66Å; F1651-Y1683 HydrophobicContact CE1-CE2 4.01Å; F1651-Y1683 HydrophobicContact CZ-CD2 4.19Å; F1651-Y1683 HydrophobicContact CZ-CE2 4.07Å; Y1683-E1945 PolarHBondContact OH-OE1 2.86Å
1684	K	74.6	Confident	72.2	Confident	128 Å²	128	79.5 Å²	79.5	56%	0.557	40%	0.404	S	S	*	.			trans	-128.2	111.8	163.3	-55.6	-158.6	174.9	-163	0	108.5	P1650 V1682	P1650-K1684 WeakPolarHBondContact CA-O 3.47Å; P1650-K1684 WeakPolarHBondContact CB-O 3.45Å; P1650-K1684 PolarHBondContact O-N 3.41Å; V1682-K1684 HydrophobicContact CG1-CD 4.36Å; V1682-K1684 HydrophobicContact CG1-CG 3.62Å
1685	S	71.7	Confident	72.3	Confident	67 Å²	67	81 Å²	81	47%	0.469	42%	0.417	S	S	.	.			trans	-81.8	147.7	168.2	38	0	0	0	0	111.5	Y1648	Y1648-S1685 VanDerWaalsContact OH-CA 3.24Å; Y1648-S1685 WeakPolarHBondContact OH-CA 3.44Å
1686	E	73.6	Confident	73	Confident	95 Å²	95	74.5 Å²	74.5	44%	0.444	39%	0.387	S	S	.	.			trans	-85.9	137.3	157.5	-71.8	178.2	-157.8	0	0	107.7	Y1648 D1688 I1689 K1692	Y1648-E1686 HydrophobicContact CE2-CB 4.38Å; Y1648-E1686 HydrophobicContact CE2-CG 4.32Å; Y1648-E1686 PolarHBondContact OH-N 2.95Å; E1686-D1688 PolarHBondContact O-N 3.01Å; E1686-I1689 HydrophobicContact CB-CB 4.2Å; E1686-I1689 VanDerWaalsContact O-CB 3.29Å; E1686-I1689 WeakPolarHBondContact O-CB 3.09Å; E1686-I1689 WeakPolarHBondContact O-CG2 3.47Å; E1686-I1689 PolarHBondContact O-N 3.27Å; E1686-I1689 VanDerWaalsContact O-N 3.07Å; E1686-K1692 IonicContact OE2-NZ 3.91Å; E1686-K1692 PolarHBondContact OE2-NZ 3.13Å
1687	P	71.4	Confident	73.9	Confident	111 Å²	111	76.8 Å²	76.8	72%	0.721	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-50.8	-175.4	21.7	-32.2	0	0	0	111.9	I1689	P1687-I1689 PolarHBondContact O-N 3.17Å
1688	D	76.3	Confident	74.9	Confident	80 Å²	80	77.7 Å²	77.7	43%	0.428	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	7.3	179.4	-2.4	-68	0	0	0	114.2	E1686 R1690 Q1691 K1692	E1686-D1688 PolarHBondContact O-N 3.01Å; D1688-R1690 VanDerWaalsContact C-N 3.29Å; D1688-R1690 PolarHBondContact O-N 3.47Å; D1688-Q1691 PolarHBondContact O-N 3.06Å; D1688-K1692 WeakPolarHBondContact O-CG 3.49Å; D1688-K1692 PolarHBondContact O-N 3.45Å; D1688-K1692 WeakPolarHBondContact OD2-CE 3.27Å; D1688-K1692 IonicContact OD2-NZ 3.55Å; D1688-K1692 PolarHBondContact OD2-NZ 3.1Å
1689	I	78.2	Confident	76	Confident	13 Å²	13	80.3 Å²	80.3	7%	0.067	39%	0.386	C	S	.	.	H	α-helix	trans	-64.1	-34.7	-172.8	-161.5	66.2	0	0	0	113.1	L1646 Y1648 E1686 P1687 K1692 L1693	L1646-I1689 HydrophobicContact CD1-CD1 4.04Å; Y1648-I1689 HydrophobicContact CD1-CD1 4.1Å; Y1648-I1689 HydrophobicContact CD1-CG1 3.88Å; Y1648-I1689 HydrophobicContact CD2-CD1 3.34Å; Y1648-I1689 HydrophobicContact CD2-CG1 3.75Å; Y1648-I1689 HydrophobicContact CE1-CD1 4.33Å; Y1648-I1689 HydrophobicContact CE1-CG1 3.69Å; Y1648-I1689 HydrophobicContact CE1-CG2 4.47Å; Y1648-I1689 HydrophobicContact CE2-CB 4.11Å; Y1648-I1689 HydrophobicContact CE2-CD1 3.62Å; Y1648-I1689 HydrophobicContact CE2-CG1 3.57Å; Y1648-I1689 HydrophobicContact CG-CD1 3.58Å; Y1648-I1689 HydrophobicContact CG-CG1 3.88Å; E1686-I1689 HydrophobicContact CB-CB 4.2Å; E1686-I1689 VanDerWaalsContact O-CB 3.29Å; E1686-I1689 WeakPolarHBondContact O-CB 3.09Å; E1686-I1689 WeakPolarHBondContact O-CG2 3.47Å; E1686-I1689 PolarHBondContact O-N 3.27Å; E1686-I1689 VanDerWaalsContact O-N 3.07Å; P1687-I1689 PolarHBondContact O-N 3.17Å; I1689-K1692 HydrophobicContact CD1-CB 4.23Å; I1689-K1692 HydrophobicContact CD1-CD 4.11Å; I1689-K1692 CarbonylContact O-C 3.58Å; I1689-K1692 PolarHBondContact O-N 2.88Å; I1689-L1693 HydrophobicContact CG1-CD1 3.91Å; I1689-L1693 HydrophobicContact CG1-CG 4.16Å; I1689-L1693 VanDerWaalsContact O-CB 3.28Å; I1689-L1693 WeakPolarHBondContact O-CB 3.22Å; I1689-L1693 VanDerWaalsContact O-CG 3.28Å; I1689-L1693 WeakPolarHBondContact O-CG 3.33Å; I1689-L1693 PolarHBondContact O-N 3.26Å
1690	R	73.6	Confident	76.7	Confident	81 Å²	81	78 Å²	78	31%	0.306	38%	0.375	S	S	.	.	H	α-helix	trans	-64.9	-43.6	178.8	-72	174.1	139.4	-116	-11.2	110.5	D1688 L1693 A1694 S1942 D1943 E1945	D1688-R1690 VanDerWaalsContact C-N 3.29Å; D1688-R1690 PolarHBondContact O-N 3.47Å; R1690-L1693 PolarHBondContact O-N 2.87Å; R1690-A1694 WeakPolarHBondContact O-CB 3.31Å; R1690-A1694 PolarHBondContact O-N 2.81Å; R1690-S1942 PolarHBondContact NH1-O 2.69Å; R1690-D1943 VanDerWaalsContact CD-CG 3.43Å; R1690-D1943 VanDerWaalsContact CD-OD1 3.26Å; R1690-D1943 WeakPolarHBondContact CD-OD1 3.2Å; R1690-D1943 VanDerWaalsContact CD-OD2 3.24Å; R1690-D1943 WeakPolarHBondContact CD-OD2 3.43Å; R1690-D1943 IonicContact CZ-OD1 3.09Å; R1690-D1943 IonicContact NE-OD1 3.22Å; R1690-D1943 IonicContact NH1-OD1 2.62Å; R1690-D1943 PolarHBondContact NH1-OD1 3Å; R1690-E1945 IonicContact CZ-OE2 3.41Å; R1690-E1945 IonicContact NE-OE2 3.23Å; R1690-E1945 PolarHBondContact NE-OE2 2.81Å; R1690-E1945 IonicContact NH2-OE2 3.65Å; R1690-E1945 PolarHBondContact NH2-OE2 2.72Å
1691	Q	77	Confident	77.8	Confident	142 Å²	142	74.2 Å²	74.2	66%	0.664	36%	0.356	S	S	*	.	H	α-helix	trans	-62.5	-46.2	171.2	-163.2	-178.2	49.9	0	0	111.6	D1688 L1693 A1694 T1695	D1688-Q1691 PolarHBondContact O-N 3.06Å; Q1691-L1693 VanDerWaalsContact C-N 3.33Å; Q1691-L1693 PolarHBondContact O-N 3.23Å; Q1691-A1694 PolarHBondContact O-N 3.39Å; Q1691-T1695 WeakPolarHBondContact O-CB 3.43Å; Q1691-T1695 PolarHBondContact O-N 3.11Å; Q1691-T1695 PolarHBondContact O-OG1 3.48Å
1692	K	78.5	Confident	77.4	Confident	64 Å²	64	76.6 Å²	76.6	28%	0.278	37%	0.372	S	S	.	.	H	α-helix	trans	-58.3	-41.8	175.3	-69.8	164.7	-175.8	150.7	0	112.1	L1646 E1686 D1688 I1689 M1696	L1646-K1692 HydrophobicContact CD1-CB 3.96Å; L1646-K1692 HydrophobicContact CD2-CB 4.02Å; E1686-K1692 IonicContact OE2-NZ 3.91Å; E1686-K1692 PolarHBondContact OE2-NZ 3.13Å; D1688-K1692 WeakPolarHBondContact O-CG 3.49Å; D1688-K1692 PolarHBondContact O-N 3.45Å; D1688-K1692 WeakPolarHBondContact OD2-CE 3.27Å; D1688-K1692 IonicContact OD2-NZ 3.55Å; D1688-K1692 PolarHBondContact OD2-NZ 3.1Å; I1689-K1692 HydrophobicContact CD1-CB 4.23Å; I1689-K1692 HydrophobicContact CD1-CD 4.11Å; I1689-K1692 CarbonylContact O-C 3.58Å; I1689-K1692 PolarHBondContact O-N 2.88Å; K1692-M1696 VanDerWaalsContact O-CB 3.22Å; K1692-M1696 WeakPolarHBondContact O-CB 3.33Å; K1692-M1696 VanDerWaalsContact O-CG 3.31Å; K1692-M1696 WeakPolarHBondContact O-CG 3.2Å; K1692-M1696 PolarHBondContact O-N 2.99Å
1693	L	80.3	Confident	76.3	Confident	30 Å²	30	81.5 Å²	81.5	16%	0.157	40%	0.397	C	S	.	.	H	α-helix	trans	-66.3	-46.2	177	-79.2	162.4	0	0	0	111.1	V1642 R1643 L1646 I1689 R1690 Q1691 M1696 R1697	V1642-L1693 HydrophobicContact CB-CD2 4.2Å; V1642-L1693 HydrophobicContact CG1-CD2 3.94Å; R1643-L1693 HydrophobicContact CG-CD2 3.86Å; L1646-L1693 HydrophobicContact CD1-CB 4.36Å; L1646-L1693 HydrophobicContact CD1-CD2 3.71Å; L1646-L1693 HydrophobicContact CD1-CG 3.74Å; I1689-L1693 HydrophobicContact CG1-CD1 3.91Å; I1689-L1693 HydrophobicContact CG1-CG 4.16Å; I1689-L1693 VanDerWaalsContact O-CB 3.28Å; I1689-L1693 WeakPolarHBondContact O-CB 3.22Å; I1689-L1693 VanDerWaalsContact O-CG 3.28Å; I1689-L1693 WeakPolarHBondContact O-CG 3.33Å; I1689-L1693 PolarHBondContact O-N 3.26Å; R1690-L1693 PolarHBondContact O-N 2.87Å; Q1691-L1693 VanDerWaalsContact C-N 3.33Å; Q1691-L1693 PolarHBondContact O-N 3.23Å; L1693-M1696 CarbonylContact O-C 3.39Å; L1693-M1696 PolarHBondContact O-N 3.04Å; L1693-R1697 WeakPolarHBondContact O-CB 3.34Å; L1693-R1697 PolarHBondContact O-N 2.79Å
1694	A	78.6	Confident	75	Confident	44 Å²	44	81.2 Å²	81.2	36%	0.364	41%	0.409	S	S	.	.	H	α-helix	trans	-65.1	-45.2	176.7	0	0	0	0	0	112	R1690 Q1691 M1696 R1697 R1698	R1690-A1694 WeakPolarHBondContact O-CB 3.31Å; R1690-A1694 PolarHBondContact O-N 2.81Å; Q1691-A1694 PolarHBondContact O-N 3.39Å; A1694-M1696 VanDerWaalsContact C-N 3.3Å; A1694-M1696 PolarHBondContact O-N 3.21Å; A1694-R1697 WeakPolarHBondContact O-CB 3.28Å; A1694-R1697 PolarHBondContact O-N 3.04Å; A1694-R1698 WeakPolarHBondContact O-CG 3.45Å; A1694-R1698 PolarHBondContact O-N 3.45Å
1695	T	81.8	Confident	73	Confident	85 Å²	85	80.8 Å²	80.8	52%	0.521	41%	0.412	S	S	.	.	H	α-helix	trans	-60.2	-41	173.7	-58.1	0	0	0	0	111.1	Q1691 R1699	Q1691-T1695 WeakPolarHBondContact O-CB 3.43Å; Q1691-T1695 PolarHBondContact O-N 3.11Å; Q1691-T1695 PolarHBondContact O-OG1 3.48Å; T1695-R1699 WeakPolarHBondContact O-CB 3.48Å; T1695-R1699 PolarHBondContact O-N 3.46Å
1696	M	82.1	Confident	71.1	Confident	23 Å²	23	84.8 Å²	84.8	11%	0.113	42%	0.424	C	S	.	.	H	α-helix	trans	-72.2	-31.6	175.6	-79.8	-62.2	-51.6	0	0	113.5	I1628 V1642 H1645 L1646 K1692 L1693 A1694 R1699 C1700	I1628-M1696 HydrophobicContact CD1-CE 3.32Å; I1628-M1696 HydrophobicContact CD1-SD 4.29Å; V1642-M1696 HydrophobicContact CG1-CB 3.59Å; H1645-M1696 HydrophobicContact CB-CE 3.61Å; L1646-M1696 HydrophobicContact CD1-CB 4.48Å; L1646-M1696 HydrophobicContact CD1-CG 4.33Å; L1646-M1696 HydrophobicContact CD2-CG 3.56Å; L1646-M1696 HydrophobicContact CG-CB 4.38Å; L1646-M1696 HydrophobicContact CG-CG 3.85Å; K1692-M1696 VanDerWaalsContact O-CB 3.22Å; K1692-M1696 WeakPolarHBondContact O-CB 3.33Å; K1692-M1696 VanDerWaalsContact O-CG 3.31Å; K1692-M1696 WeakPolarHBondContact O-CG 3.2Å; K1692-M1696 PolarHBondContact O-N 2.99Å; L1693-M1696 CarbonylContact O-C 3.39Å; L1693-M1696 PolarHBondContact O-N 3.04Å; A1694-M1696 VanDerWaalsContact C-N 3.3Å; A1694-M1696 PolarHBondContact O-N 3.21Å; M1696-R1699 PolarHBondContact O-N 2.9Å; M1696-R1699 HydrophobicContact SD-CB 4.46Å; M1696-C1700 WeakPolarHBondContact O-CB 3.42Å; M1696-C1700 PolarHBondContact O-N 2.94Å; M1696-C1700 PolarHBondContact O-SG 3.12Å
1697	R	79.1	Confident	69.1	Low	96 Å²	96	87.1 Å²	87.1	36%	0.362	44%	0.439	S	S	.	.	H	α-helix	trans	-61.9	-52.2	170.4	-174.1	-179.8	-178.8	172.3	-1.1	109.7	L1693 A1694 R1699 C1700 F1701 D1711	L1693-R1697 WeakPolarHBondContact O-CB 3.34Å; L1693-R1697 PolarHBondContact O-N 2.79Å; A1694-R1697 WeakPolarHBondContact O-CB 3.28Å; A1694-R1697 PolarHBondContact O-N 3.04Å; R1697-R1699 VanDerWaalsContact C-N 3.26Å; R1697-R1699 PolarHBondContact O-N 2.97Å; R1697-C1700 PolarHBondContact O-N 3.49Å; R1697-C1700 VanDerWaalsContact O-N 3.1Å; R1697-F1701 HydrophobicContact CG-CD2 4.43Å; R1697-F1701 WeakPolarHBondContact O-CD2 3.33Å; R1697-F1701 PolarHBondContact O-N 3.16Å; R1697-D1711 IonicContact CZ-OD1 3.79Å; R1697-D1711 IonicContact NH1-OD1 3.61Å; R1697-D1711 PolarHBondContact NH1-OD1 3.31Å; R1697-D1711 IonicContact NH1-OD2 3.98Å; R1697-D1711 PolarHBondContact NH1-OD2 3.08Å; R1697-D1711 IonicContact NH2-OD1 3.01Å; R1697-D1711 PolarHBondContact NH2-OD1 3.25Å; R1697-D1711 VanDerWaalsContact NH2-OD1 3.11Å
1698	R	78.3	Confident	67.1	Low	184 Å²	184	89.2 Å²	89.2	69%	0.694	44%	0.444	S	S	*	.	H	α-helix	trans	-58.2	-34.9	173.6	-63.8	179.5	-162	-113.5	4.3	112.6	A1694 F1701 P1702	A1694-R1698 WeakPolarHBondContact O-CG 3.45Å; A1694-R1698 PolarHBondContact O-N 3.45Å; R1698-F1701 CarbonylContact O-C 3.59Å; R1698-F1701 VanDerWaalsContact O-C 3.24Å; R1698-P1702 WeakPolarHBondContact O-CA 3.47Å; R1698-P1702 VanDerWaalsContact O-N 3.13Å
1699	R	78.3	Confident	65	Low	176 Å²	176	90.8 Å²	90.8	66%	0.664	46%	0.462	S	S	*	.	H	α-helix	trans	-76.4	-29	176.5	-162.8	-174.7	179.4	172.1	3.4	113.7	I1628 T1695 M1696 R1697	I1628-R1699 HydrophobicContact CD1-CB 3.97Å; I1628-R1699 HydrophobicContact CD1-CG 3.7Å; I1628-R1699 HydrophobicContact CG1-CG 4.44Å; T1695-R1699 WeakPolarHBondContact O-CB 3.48Å; T1695-R1699 PolarHBondContact O-N 3.46Å; M1696-R1699 PolarHBondContact O-N 2.9Å; M1696-R1699 HydrophobicContact SD-CB 4.46Å; R1697-R1699 VanDerWaalsContact C-N 3.26Å; R1697-R1699 PolarHBondContact O-N 2.97Å
1700	C	78.8	Confident	62.8	Low	0 Å²	0	96.3 Å²	96.3	0%	0	49%	0.491	C	S	.	.	H	α-helix	trans	-77.7	-30.9	172	-71.6	0	0	0	0	112	C1626 L1627 I1628 M1696 R1697	C1626-C1700 CarbonylContact C-O 3.22Å; C1626-C1700 WeakPolarHBondContact CA-O 3.36Å; C1626-C1700 HydrophobicContact CB-CB 4.23Å; C1626-C1700 PolarHBondContact SG-SG 2.84Å; L1627-C1700 PolarHBondContact N-O 3.11Å; I1628-C1700 VanDerWaalsContact CD1-SG 3.57Å; M1696-C1700 WeakPolarHBondContact O-CB 3.42Å; M1696-C1700 PolarHBondContact O-N 2.94Å; M1696-C1700 PolarHBondContact O-SG 3.12Å; R1697-C1700 PolarHBondContact O-N 3.49Å; R1697-C1700 VanDerWaalsContact O-N 3.1Å
1701	F	84.1	Confident	60.7	Low	16 Å²	16	98.1 Å²	98.1	7%	0.07	51%	0.507	C	S	.	.			trans	-142	80.2	-173.7	-46.8	-86.5	0	0	0	108.9	M1624 C1626 I1633 L1638 R1697 R1698 D1703 A1704	M1624-F1701 HydrophobicContact CB-CD1 4.18Å; M1624-F1701 HydrophobicContact CB-CE1 3.72Å; M1624-F1701 HydrophobicContact CE-CD1 4.21Å; C1626-F1701 HydrophobicContact CB-CE1 4.02Å; C1626-F1701 HydrophobicContact CB-CE2 4.42Å; C1626-F1701 HydrophobicContact CB-CZ 3.73Å; C1626-F1701 VanDerWaalsContact N-CE1 3.33Å; I1633-F1701 HydrophobicContact CD1-CZ 3.98Å; L1638-F1701 HydrophobicContact CD1-CD2 4.2Å; L1638-F1701 HydrophobicContact CD1-CE2 3.3Å; L1638-F1701 HydrophobicContact CD1-CZ 3.6Å; R1697-F1701 HydrophobicContact CG-CD2 4.43Å; R1697-F1701 WeakPolarHBondContact O-CD2 3.33Å; R1697-F1701 PolarHBondContact O-N 3.16Å; R1698-F1701 CarbonylContact O-C 3.59Å; R1698-F1701 VanDerWaalsContact O-C 3.24Å; F1701-D1703 VanDerWaalsContact C-N 3.33Å; F1701-A1704 HydrophobicContact CB-CB 4.11Å
1702	P	65.8	Low	58.4	Low	68 Å²	68	99.9 Å²	99.9	44%	0.442	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-27.4	-176.9	30	-34.3	0	0	0	112.6	L1627 R1698 A1704	L1627-P1702 VanDerWaalsContact CD1-CD 3.42Å; L1627-P1702 HydrophobicContact CD1-CG 3.53Å; R1698-P1702 WeakPolarHBondContact O-CA 3.47Å; R1698-P1702 VanDerWaalsContact O-N 3.13Å; P1702-A1704 PolarHBondContact O-N 3.3Å
1703	D	56.2	Low	56	Low	141 Å²	141	100.1 Å²	100.1	75%	0.754	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-3.5	-176.9	-40.7	-68.5	0	0	0	112.6	F1701 N1705	F1701-D1703 VanDerWaalsContact C-N 3.33Å; D1703-N1705 PolarHBondContact O-N 2.92Å; D1703-N1705 VanDerWaalsContact O-N 3.13Å
1704	A	55.6	Low	53.5	Low	62 Å²	62	102.7 Å²	102.7	51%	0.512	55%	0.547	S	S	.	.			trans	-84.5	76.4	176.4	0	0	0	0	0	111.1	M1624 F1701 P1702	M1624-A1704 HydrophobicContact CE-CB 4.43Å; F1701-A1704 HydrophobicContact CB-CB 4.11Å; P1702-A1704 PolarHBondContact O-N 3.3Å
1705	N	34.3	Very low	51	Low	118 Å²	118	104.1 Å²	104.1	63%	0.631	55%	0.548	S	S	*	.			trans	-80.4	135.2	170.1	-93.5	-33.4	0	0	0	111.5	D1703	D1703-N1705 PolarHBondContact O-N 2.92Å; D1703-N1705 VanDerWaalsContact O-N 3.13Å
1706	Q	31.6	Very low	48.5	Very low	151 Å²	151	105.5 Å²	105.5	71%	0.706	56%	0.561	S	S	*	*	S	Bend	trans	39.8	102.1	136.3	-66.5	161.3	82.3	0	0	115.5
1707	D	31.2	Very low	45.9	Very low	144 Å²	144	112.5 Å²	112.5	77%	0.77	60%	0.596	S	S	*	*			cis	-160.4	134.2	48.4	-78.7	-29.1	0	0	0	116.1
1708	D	29.8	Very low	43.4	Very low	155 Å²	155	113.4 Å²	113.4	83%	0.829	60%	0.604	S	S	*	*			trans	3.5	97.9	152.4	-58.2	-14.4	0	0	0	121.8
1709	S	30.9	Very low	41	Very low	113 Å²	113	107.7 Å²	107.7	79%	0.79	60%	0.596	S	S	*	*	S	Bend	trans	-163.5	33.8	146.2	-91.6	0	0	0	0	115.5
1710	L	33.3	Very low	38.3	Very low	129 Å²	129	104.5 Å²	104.5	68%	0.675	60%	0.601	S	S	*	*			trans	-145.8	28.5	-174.6	-118.2	173.2	0	0	0	117.5
1711	D	28.8	Very low	35.7	Very low	120 Å²	120	111 Å²	111	64%	0.642	64%	0.636	S	S	*	*			trans	-92.7	-1.5	176.7	-87	26.5	0	0	0	114.7	R1697 A1713	R1697-D1711 IonicContact CZ-OD1 3.79Å; R1697-D1711 IonicContact NH1-OD1 3.61Å; R1697-D1711 PolarHBondContact NH1-OD1 3.31Å; R1697-D1711 IonicContact NH1-OD2 3.98Å; R1697-D1711 PolarHBondContact NH1-OD2 3.08Å; R1697-D1711 IonicContact NH2-OD1 3.01Å; R1697-D1711 PolarHBondContact NH2-OD1 3.25Å; R1697-D1711 VanDerWaalsContact NH2-OD1 3.11Å; D1711-A1713 PolarHBondContact O-N 3.27Å; D1711-A1713 VanDerWaalsContact O-N 3.15Å
1712	L	28.3	Very low	32.9	Very low	179 Å²	179	114 Å²	114	94%	0.937	67%	0.671	S	S	*	*			trans	-87.1	64.5	175.6	-71.8	168	0	0	0	112.6
1713	A	29.4	Very low	30.8	Very low	68 Å²	68	115.5 Å²	115.5	56%	0.562	68%	0.683	S	S	*	*			trans	-144.6	26.3	-178.8	0	0	0	0	0	115.2	D1711	D1711-A1713 PolarHBondContact O-N 3.27Å; D1711-A1713 VanDerWaalsContact O-N 3.15Å
1714	L	27.8	Very low	29.1	Very low	84 Å²	84	115.5 Å²	115.5	44%	0.44	68%	0.683	S	S	.	*	S	Bend	trans	-127.8	-9	-176	-76.7	177.2	0	0	0	117.2
1715	D	25.6	Very low	27.7	Very low	74 Å²	74	118.4 Å²	118.4	40%	0.396	69%	0.694	S	S	.	*			trans	-123.7	110.4	-179.9	-93.3	-79.4	0	0	0	111.9	R1952	D1715-R1952 IonicContact OD1-CZ 3.02Å; D1715-R1952 IonicContact OD1-NH1 2.63Å; D1715-R1952 PolarHBondContact OD1-NH1 3.14Å; D1715-R1952 IonicContact OD1-NH2 3.02Å; D1715-R1952 PolarHBondContact OD1-NH2 3.24Å
1716	S	28.7	Very low	27.1	Very low	114 Å²	114	119.5 Å²	119.5	80%	0.797	70%	0.7	S	S	*	*			trans	176.3	103.1	160.8	-83.7	0	0	0	0	110.8
1717	M	27.7	Very low	26.5	Very low	171 Å²	171	120.3 Å²	120.3	84%	0.842	71%	0.709	S	S	*	*			trans	164.9	82.2	155.6	-97.3	-179.2	-77.1	0	0	114.3
1718	E	27.5	Very low	26	Very low	115 Å²	115	117.2 Å²	117.2	54%	0.537	71%	0.711	S	S	.	*			trans	-133.1	128.3	159.6	-56.5	-166.2	112.4	0	0	105.7
1719	A	26.6	Very low	25.7	Very low	64 Å²	64	118 Å²	118	53%	0.529	72%	0.715	S	S	.	*			cis	72.1	112.5	49.1	0	0	0	0	0	112.2
1720	S	23.1	Very low	25.2	Very low	108 Å²	108	120 Å²	120	76%	0.755	72%	0.717	S	S	*	*			cis	83.5	97.4	23.1	92.6	0	0	0	0	117.4
1721	D	24.3	Very low	24.6	Very low	137 Å²	137	117 Å²	117	73%	0.733	72%	0.716	S	S	*	*			trans	-173	151.2	158.2	-78.7	-45.6	0	0	0	104.9
1722	G	23.8	Very low	24.2	Very low	78 Å²	78	114.9 Å²	114.9	80%	0.804	72%	0.723	S	S	*	*			cis	-150.9	-96.9	11.2	0	0	0	0	0	115.1
1723	S	21.7	Very low	23.8	Very low	101 Å²	101	111.7 Å²	111.7	71%	0.706	72%	0.716	S	S	*	*			trans	-165.8	160.3	-170.3	51.6	0	0	0	0	116
1724	D	21	Very low	23.5	Very low	140 Å²	140	115.1 Å²	115.1	75%	0.749	72%	0.724	S	S	*	*				151.7	160.3	118.5	-84.2	-60.6	0	0	0	118.8
1725	V	25.4	Very low	23.1	Very low	123 Å²	123	118.7 Å²	118.7	75%	0.745	74%	0.743	S	S	*	*			trans	67	111.3	159.3	-69.4	0	0	0	0	126.1
1726	D	21.8	Very low	23	Very low	142 Å²	142	118.7 Å²	118.7	76%	0.759	76%	0.761	S	S	*	*				59.9	137	122.7	-60.3	-30	0	0	0	127.2
1727	D	20.6	Very low	22.8	Very low	167 Å²	167	121.4 Å²	121.4	89%	0.893	77%	0.767	S	S	*	*			trans	56.7	126.5	147	-74.7	-23.3	0	0	0	123.7
1728	G	21	Very low	22.4	Very low	79 Å²	79	118.2 Å²	118.2	81%	0.814	76%	0.761	S	S	*	*			trans	172.6	108.7	160.4	0	0	0	0	0	117.2
1729	L	22.2	Very low	22.2	Very low	173 Å²	173	117.4 Å²	117.4	91%	0.906	77%	0.768	S	S	*	*			trans	-78.7	166.5	164.2	-53.1	161.5	0	0	0	108.9
1730	D	20.5	Very low	22	Very low	155 Å²	155	120.5 Å²	120.5	83%	0.829	78%	0.78	S	S	*	*			cis	-171.8	173.5	28.3	-161.9	0.9	0	0	0	111.2
1731	G	20.7	Very low	22	Very low	65 Å²	65	123.1 Å²	123.1	67%	0.67	78%	0.784	S	S	*	*			trans	68.3	115.5	136.6	0	0	0	0	0	124
1732	G	20.4	Very low	21.9	Very low	76 Å²	76	121.7 Å²	121.7	78%	0.784	79%	0.785	S	S	*	*			trans	94	130.5	157.8	0	0	0	0	0	114.9
1733	S	19.7	Very low	21.9	Very low	111 Å²	111	122.9 Å²	122.9	78%	0.776	78%	0.781	S	S	*	*			cis	78.1	135.9	19.9	-158.3	0	0	0	0	116.1
1734	L	23.1	Very low	21.9	Very low	141 Å²	141	125.7 Å²	125.7	74%	0.738	79%	0.788	S	S	*	*			trans	89.4	82.4	175.4	-51	-179.3	0	0	0	117.3
1735	D	20.4	Very low	21.9	Very low	158 Å²	158	121.9 Å²	121.9	85%	0.845	78%	0.782	S	S	*	*				42.4	115.6	121.2	-36.5	-35.8	0	0	0	119.6
1736	G	22.5	Very low	21.7	Very low	74 Å²	74	120.4 Å²	120.4	76%	0.763	78%	0.783	S	S	*	*			trans	159	57.8	162.9	0	0	0	0	0	118.7	S1738	G1736-S1738 PolarHBondContact O-N 3.35Å
1737	D	24.1	Very low	21.8	Very low	172 Å²	172	122.5 Å²	122.5	92%	0.92	79%	0.79	S	S	*	*			trans	-69.5	124.7	-179.6	-58.2	-69.9	0	0	0	113.7
1738	S	21	Very low	21.7	Very low	104 Å²	104	121.9 Å²	121.9	73%	0.727	79%	0.787	S	S	*	*			trans	-163	104.7	178.9	164	0	0	0	0	115.6	G1736	G1736-S1738 PolarHBondContact O-N 3.35Å
1739	S	22.1	Very low	21.9	Very low	98 Å²	98	126.8 Å²	126.8	69%	0.685	79%	0.786	S	S	*	*			trans	54.3	150.5	135.8	74.9	0	0	0	0	124.9
1740	T	22.8	Very low	22.1	Very low	128 Å²	128	126 Å²	126	79%	0.785	78%	0.778	S	S	*	*			trans	85.4	105.7	161.1	66	0	0	0	0	120.9
1741	I	23.4	Very low	22.4	Very low	164 Å²	164	123.9 Å²	123.9	84%	0.841	78%	0.775	S	S	*	*			trans	-84.2	142.5	141.5	-70.1	173.4	0	0	0	107.7
1742	S	21.3	Very low	23	Very low	107 Å²	107	125 Å²	125	75%	0.748	78%	0.778	S	S	*	*			trans	-155.6	113.7	158.4	-80.3	0	0	0	0	111.4
1743	S	24.1	Very low	23.2	Very low	103 Å²	103	127.4 Å²	127.4	72%	0.72	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-69.2	130	159.2	50.7	0	0	0	0	109.4
1744	N	21.6	Very low	23.4	Very low	159 Å²	159	128.7 Å²	128.7	85%	0.85	78%	0.775	S	S	*	*	S	Bend	trans	-60.5	142.3	165.4	-68.4	-78.4	0	0	0	109.5
1745	G	21.5	Very low	23.5	Very low	60 Å²	60	128.5 Å²	128.5	62%	0.619	78%	0.775	S	S	*	*	P	Polyproline II helix	cis	-68.3	163.7	10.5	0	0	0	0	0	116.5
1746	A	21.5	Very low	23.5	Very low	93 Å²	93	125 Å²	125	77%	0.769	76%	0.763	S	S	*	*			cis	73.7	47.2	32.6	0	0	0	0	0	114.9
1747	M	22.5	Very low	23.4	Very low	185 Å²	185	128.3 Å²	128.3	91%	0.911	76%	0.763	S	S	*	*				-164.6	156.1	125.9	51.2	-164.3	-171.1	0	0	110.7
1748	D	20.2	Very low	23.2	Very low	154 Å²	154	123.7 Å²	123.7	82%	0.824	74%	0.738	S	S	*	*			trans	-78.8	139	-161.7	-41.9	-101.6	0	0	0	114.7
1749	F	23.7	Very low	23.3	Very low	182 Å²	182	121.5 Å²	121.5	80%	0.798	72%	0.723	S	S	*	*				-178.4	133.8	126.7	-117.3	-102.6	0	0	0	114.6
1750	E	26.7	Very low	23.3	Very low	158 Å²	158	121 Å²	121	74%	0.738	71%	0.711	S	S	*	*			trans	32.1	103.5	150.9	-64.3	-175.3	158.3	0	0	125.1
1751	S	28	Very low	23.3	Very low	109 Å²	109	121.7 Å²	121.7	76%	0.762	70%	0.699	S	S	*	*				58	139.6	113.7	74.5	0	0	0	0	126.6
1752	A	32.7	Very low	23.3	Very low	88 Å²	88	116.4 Å²	116.4	73%	0.727	67%	0.671	S	S	*	*			trans	93.2	104	131.3	0	0	0	0	0	123.2
1753	V	23.7	Very low	23.4	Very low	127 Å²	127	117.4 Å²	117.4	77%	0.77	66%	0.664	S	S	*	*			trans	31	149.5	131.5	-121.2	0	0	0	0	124.8
1754	D	25	Very low	23.5	Very low	139 Å²	139	115.6 Å²	115.6	74%	0.743	66%	0.661	S	S	*	*			trans	99.2	130.8	142.7	-70	-31.5	0	0	0	123.2
1755	D	24.9	Very low	23.6	Very low	137 Å²	137	116.9 Å²	116.9	73%	0.733	66%	0.664	S	S	*	*			trans	58.4	111.5	147.2	-87.7	-38.6	0	0	0	125
1756	S	20.9	Very low	23.7	Very low	85 Å²	85	122.9 Å²	122.9	59%	0.594	68%	0.676	S	S	*	*				53.5	120	108.1	-54.1	0	0	0	0	122.5
1757	N	19.7	Very low	23.8	Very low	143 Å²	143	123.1 Å²	123.1	77%	0.765	67%	0.672	S	S	*	*			trans	71.1	134.5	135.2	-62.4	-6.8	0	0	0	121.7
1758	D	21	Very low	24	Very low	74 Å²	74	121.1 Å²	121.1	40%	0.396	66%	0.664	S	S	.	*			trans	85.1	128.4	143.1	-63.3	0.5	0	0	0	122.9	I1908	D1758-I1908 WeakPolarHBondContact CA-O 3.31Å; D1758-I1908 HydrophobicContact CB-CB 4.41Å; D1758-I1908 HydrophobicContact CB-CG2 3.54Å; D1758-I1908 PolarHBondContact OD1-N 2.96Å; D1758-I1908 WeakPolarHBondContact OD2-CG2 3.44Å; D1758-I1908 PolarHBondContact OD2-N 3.27Å
1759	C	22.3	Very low	24.2	Very low	59 Å²	59	118.6 Å²	118.6	40%	0.399	66%	0.658	S	S	.	*			trans	148	53.6	149.3	-176.9	0	0	0	0	125.3	I1908 A1910	C1759-I1908 HydrophobicContact CB-CB 4.06Å; C1759-I1908 HydrophobicContact CB-CD1 4.18Å; C1759-I1908 HydrophobicContact CB-CG1 3.81Å; C1759-I1908 HydrophobicContact CB-CG2 3.56Å; C1759-A1910 VanDerWaalsContact N-CA 3.33Å; C1759-A1910 VanDerWaalsContact N-CB 3.26Å
1760	M	21.7	Very low	24.1	Very low	88 Å²	88	113.5 Å²	113.5	43%	0.433	65%	0.645	S	S	.	*			trans	71.4	140.4	157.9	-69.7	-81.9	179.1	0	0	124.6	I1908 T1909	M1760-I1908 HydrophobicContact CE-CD1 3.79Å; M1760-I1908 HydrophobicContact CE-CG1 3.93Å; M1760-I1908 HydrophobicContact CG-CD1 4.44Å; M1760-I1908 HydrophobicContact CG-CG1 4.39Å; M1760-T1909 WeakPolarHBondContact CA-OG1 3.45Å; M1760-T1909 VanDerWaalsContact N-CA 3.34Å; M1760-T1909 PolarHBondContact N-OG1 3.03Å
1761	R	23.8	Very low	24	Very low	141 Å²	141	112 Å²	112	53%	0.532	64%	0.641	S	S	.	*			trans	89.9	125.8	135.3	-94.6	169.5	58.3	89.4	3.8	122.5	E1763	R1761-E1763 IonicContact CZ-OE1 3.99Å; R1761-E1763 IonicContact CZ-OE2 3.18Å; R1761-E1763 IonicContact NH1-OE1 3.3Å; R1761-E1763 PolarHBondContact NH1-OE1 3.24Å; R1761-E1763 IonicContact NH1-OE2 3.87Å; R1761-E1763 IonicContact NH2-OE1 2.99Å; R1761-E1763 PolarHBondContact NH2-OE1 2.62Å; R1761-E1763 IonicContact NH2-OE2 2.8Å; R1761-E1763 PolarHBondContact NH2-OE2 3.39Å
1762	E	22.8	Very low	24	Very low	54 Å²	54	113.9 Å²	113.9	25%	0.252	64%	0.64	S	S	.	*			trans	-78.7	163.7	150.1	-64.4	174.9	-124.9	0	0	112.1	M2019 A2020 D2021 A2022	E1762-M2019 HydrophobicContact CB-CE 3.79Å; E1762-M2019 HydrophobicContact CG-CB 4.21Å; E1762-M2019 HydrophobicContact CG-CE 4Å; E1762-A2020 WeakPolarHBondContact OE1-CA 3.44Å; E1762-D2021 PolarHBondContact N-O 2.82Å; E1762-D2021 PolarHBondContact OE1-N 2.63Å; E1762-A2022 HydrophobicContact CB-CB 4.2Å; E1762-A2022 PolarHBondContact OE1-N 3.15Å
1763	E	23.1	Very low	23.7	Very low	128 Å²	128	116.3 Å²	116.3	60%	0.598	64%	0.64	S	S	*	*			trans	-178.9	137.2	135.6	-103.9	162.9	-149.7	0	0	108.9	R1761	R1761-E1763 IonicContact CZ-OE1 3.99Å; R1761-E1763 IonicContact CZ-OE2 3.18Å; R1761-E1763 IonicContact NH1-OE1 3.3Å; R1761-E1763 PolarHBondContact NH1-OE1 3.24Å; R1761-E1763 IonicContact NH1-OE2 3.87Å; R1761-E1763 IonicContact NH2-OE1 2.99Å; R1761-E1763 PolarHBondContact NH2-OE1 2.62Å; R1761-E1763 IonicContact NH2-OE2 2.8Å; R1761-E1763 PolarHBondContact NH2-OE2 3.39Å
1764	G	26.6	Very low	23.7	Very low	65 Å²	65	114.4 Å²	114.4	67%	0.67	63%	0.633	S	S	*	*			trans	98.6	103	150.1	0	0	0	0	0	120.7
1765	M	23.4	Very low	23.7	Very low	185 Å²	185	114.6 Å²	114.6	91%	0.911	63%	0.631	S	S	*	*				53.5	116.9	128.5	-60.2	-176.9	-177.3	0	0	122.3
1766	Q	23.2	Very low	23.7	Very low	187 Å²	187	115.8 Å²	115.8	87%	0.874	64%	0.637	S	S	*	*	S	Bend	trans	11	128.3	136.5	-56.1	180	7.2	0	0	120.7
1767	S	24.5	Very low	23.9	Very low	97 Å²	97	115.5 Å²	115.5	68%	0.678	65%	0.647	S	S	*	*			trans	65.7	59.4	139.5	-161.6	0	0	0	0	119.8	S1769	S1767-S1769 PolarHBondContact O-N 2.83Å
1768	I	25.4	Very low	23.9	Very low	144 Å²	144	115.6 Å²	115.6	74%	0.738	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	74.1	159.3	-51.1	-177.5	0	0	0	110.4
1769	S	24.5	Very low	23.9	Very low	101 Å²	101	117.9 Å²	117.9	71%	0.706	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142	9.4	166.4	-76	0	0	0	0	114.4	S1767	S1767-S1769 PolarHBondContact O-N 2.83Å
1770	S	21.4	Very low	23.8	Very low	74 Å²	74	121 Å²	121	52%	0.517	69%	0.691	S	S	.	*	S	Bend	trans	-113.8	-42.7	171	53.3	0	0	0	0	112.8	M1772 N1773 S1774	S1770-M1772 PolarHBondContact O-N 3.1Å; S1770-N1773 CarbonylContact O-C 2.94Å; S1770-N1773 WeakPolarHBondContact O-CA 3.35Å; S1770-N1773 WeakPolarHBondContact O-CB 3.16Å; S1770-N1773 PolarHBondContact O-N 2.8Å; S1770-S1774 PolarHBondContact O-N 3.19Å
1771	L	26	Very low	23.7	Very low	127 Å²	127	124 Å²	124	67%	0.665	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-66.8	-33.1	-172.9	-164.7	63.3	0	0	0	113.9	N1773 S1774 M1775	L1771-N1773 PolarHBondContact O-N 3.39Å; L1771-S1774 PolarHBondContact O-N 3.34Å; L1771-M1775 PolarHBondContact O-N 3.44Å
1772	M	28.5	Very low	23.5	Very low	149 Å²	149	124 Å²	124	73%	0.734	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-78.7	-3.3	172.9	-154.9	152.5	76.9	0	0	113.7	S1770 M1775	S1770-M1772 PolarHBondContact O-N 3.1Å; M1772-M1775 HydrophobicContact CG-CE 3.92Å; M1772-M1775 HydrophobicContact SD-CE 4.24Å
1773	N	25.1	Very low	23.4	Very low	138 Å²	138	129.2 Å²	129.2	74%	0.738	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-98.3	18.3	162.1	-83.6	-41.2	0	0	0	112.3	S1770 L1771	S1770-N1773 CarbonylContact O-C 2.94Å; S1770-N1773 WeakPolarHBondContact O-CA 3.35Å; S1770-N1773 WeakPolarHBondContact O-CB 3.16Å; S1770-N1773 PolarHBondContact O-N 2.8Å; L1771-N1773 PolarHBondContact O-N 3.39Å
1774	S	23.8	Very low	23.3	Very low	88 Å²	88	131.2 Å²	131.2	62%	0.615	75%	0.753	S	S	*	*	S	Bend	trans	-140.7	16.5	172.4	-67.5	0	0	0	0	114.5	S1770 L1771 L1776	S1770-S1774 PolarHBondContact O-N 3.19Å; L1771-S1774 PolarHBondContact O-N 3.34Å; S1774-L1776 PolarHBondContact O-N 3.07Å
1775	M	25.4	Very low	23	Very low	142 Å²	142	136.5 Å²	136.5	70%	0.7	76%	0.76	S	S	*	*	S	Bend	trans	-83.4	16.1	162.7	-71.7	-163.4	-77.2	0	0	113.3	L1771 M1772	L1771-M1775 PolarHBondContact O-N 3.44Å; M1772-M1775 HydrophobicContact CG-CE 3.92Å; M1772-M1775 HydrophobicContact SD-CE 4.24Å
1776	L	24.8	Very low	22.9	Very low	163 Å²	163	135.1 Å²	135.1	85%	0.853	75%	0.753	S	S	*	*	S	Bend	trans	-140	121.3	166.9	-72.4	176.9	0	0	0	110.4	S1774	S1774-L1776 PolarHBondContact O-N 3.07Å
1777	G	24.2	Very low	22.7	Very low	79 Å²	79	132.3 Å²	132.3	81%	0.814	74%	0.744	S	S	*	*			trans	90.6	118.7	160.9	0	0	0	0	0	116.9
1778	V	20.1	Very low	22.6	Very low	144 Å²	144	132.7 Å²	132.7	87%	0.873	74%	0.743	S	S	*	*			trans	-89.3	131.5	169.9	175.5	0	0	0	0	110
1779	S	20.5	Very low	22.4	Very low	123 Å²	123	131.3 Å²	131.3	86%	0.86	74%	0.741	S	S	*	*			trans	-163.3	162.7	160.4	-82.8	0	0	0	0	112.4
1780	T	20.6	Very low	22.1	Very low	123 Å²	123	134.9 Å²	134.9	76%	0.755	75%	0.747	S	S	*	*			trans	-110.3	144.2	-152	49.6	0	0	0	0	116.9
1781	L	19.5	Very low	22	Very low	152 Å²	152	135.2 Å²	135.2	80%	0.796	75%	0.754	S	S	*	*			trans	55.7	153.2	135	-63.5	175.2	0	0	0	123.4
1782	N	20.5	Very low	21.7	Very low	141 Å²	141	134.2 Å²	134.2	75%	0.754	75%	0.753	S	S	*	*			trans	97.3	108	170.4	-60.4	26.2	0	0	0	113.8
1783	E	20	Very low	21.3	Very low	164 Å²	164	130.4 Å²	130.4	77%	0.766	74%	0.741	S	S	*	*			cis	86.8	124.7	48.9	-71.2	-174.3	159.5	0	0	114.9
1784	E	20.8	Very low	21	Very low	170 Å²	170	127.8 Å²	127.8	79%	0.794	73%	0.734	S	S	*	*			trans	68.3	124	153.7	-65.3	-177.8	162	0	0	121.9
1785	E	21.3	Very low	20.9	Very low	176 Å²	176	126.7 Å²	126.7	82%	0.822	74%	0.736	S	S	*	*			trans	59.8	146.5	150.2	-57.9	-171.8	162.8	0	0	119
1786	M	20.7	Very low	20.7	Very low	156 Å²	156	123 Å²	123	77%	0.768	72%	0.717	S	S	*	*			cis	-155.4	158	22.7	-149.5	-171.5	-174.2	0	0	112.5
1787	D	20.2	Very low	20.6	Very low	127 Å²	127	123.3 Å²	123.3	68%	0.679	71%	0.712	S	S	*	*			trans	29.3	142.7	156.3	-105.8	-54.2	0	0	0	126.9
1788	T	21.4	Very low	20.5	Very low	105 Å²	105	121.8 Å²	121.8	64%	0.644	69%	0.691	S	S	*	*			trans	-47.5	156	160.5	65.6	0	0	0	0	116.3
1789	T	21	Very low	20.6	Very low	116 Å²	116	118.9 Å²	118.9	71%	0.712	67%	0.671	S	S	*	*				179.6	147.2	118.7	25.4	0	0	0	0	113.9
1790	Q	18.2	Very low	20.7	Very low	176 Å²	176	115.5 Å²	115.5	82%	0.822	65%	0.65	S	S	*	*			trans	49.4	115.1	147.4	-61	170.4	32.4	0	0	119.3
1791	A	19.4	Very low	20.8	Very low	81 Å²	81	111 Å²	111	67%	0.669	63%	0.625	S	S	*	*				93.3	153.2	53.1	0	0	0	0	0	114.5
1792	T	19.8	Very low	20.9	Very low	105 Å²	105	105.7 Å²	105.7	64%	0.644	60%	0.598	S	S	*	*			trans	71.4	151.1	-178.1	78.7	0	0	0	0	115
1793	S	19.5	Very low	21	Very low	69 Å²	69	102.5 Å²	102.5	48%	0.483	58%	0.575	S	S	.	*			cis	-170.6	176	-21.2	54.7	0	0	0	0	111.1
1794	S	19.6	Very low	21.2	Very low	84 Å²	84	98.7 Å²	98.7	59%	0.587	56%	0.56	S	S	*	*			trans	84.8	137.1	153	79.8	0	0	0	0	121.4
1795	G	22	Very low	21.3	Very low	64 Å²	64	93.1 Å²	93.1	66%	0.66	54%	0.543	S	S	*	.			trans	82.7	109.4	158.8	0	0	0	0	0	115.4
1796	E	21.1	Very low	21.3	Very low	65 Å²	65	87.2 Å²	87.2	30%	0.304	52%	0.517	S	S	.	.			cis	69.2	92.2	8.7	-67.4	178.2	118.9	0	0	118.4	I1926 N1927 Q1928	E1796-I1926 PolarHBondContact OE1-N 3.03Å; E1796-I1926 VanDerWaalsContact OE2-CA 3.24Å; E1796-I1926 WeakPolarHBondContact OE2-CA 3.37Å; E1796-I1926 WeakPolarHBondContact OE2-CB 3.46Å; E1796-I1926 WeakPolarHBondContact OE2-CG1 3.27Å; E1796-I1926 PolarHBondContact OE2-N 3.42Å; E1796-N1927 PolarHBondContact OE1-N 3.04Å; E1796-Q1928 HydrophobicContact CB-CG 3.89Å; E1796-Q1928 HydrophobicContact CG-CG 3.96Å
1797	K	21.4	Very low	21.5	Very low	170 Å²	170	82.5 Å²	82.5	74%	0.739	50%	0.495	S	S	*	.				-173.2	131.6	118.8	-104.9	167.4	-175.7	173.6	0	114.4	Q1928	K1797-Q1928 HydrophobicContact CG-CG 4.4Å
1798	A	23.3	Very low	21.7	Very low	47 Å²	47	80.4 Å²	80.4	39%	0.388	48%	0.478	S	S	.	.				38.7	136.3	127.8	0	0	0	0	0	118.8	N1929	A1798-N1929 WeakPolarHBondContact CB-O 3.22Å
1799	D	22	Very low	21.7	Very low	83 Å²	83	79.5 Å²	79.5	44%	0.444	47%	0.469	S	S	.	.			cis	-132	155	9.9	-72.6	-84.4	0	0	0	108.5	M1931	D1799-M1931 WeakPolarHBondContact OD1-CB 3.32Å; D1799-M1931 WeakPolarHBondContact OD1-CG 3.44Å; D1799-M1931 PolarHBondContact OD1-N 3.01Å; D1799-M1931 WeakPolarHBondContact OD2-CE 3.48Å
1800	A	22.6	Very low	21.7	Very low	51 Å²	51	78.5 Å²	78.5	42%	0.421	46%	0.455	S	S	.	.			cis	62.3	147.6	47	0	0	0	0	0	115.3	V1930 M1931	A1800-V1930 HydrophobicContact CB-CB 3.86Å; A1800-V1930 HydrophobicContact CB-CG1 3.46Å; A1800-V1930 VanDerWaalsContact CB-CG1 3.46Å; A1800-V1930 HydrophobicContact CB-CG2 4.09Å; A1800-M1931 CarbonylContact C-O 3.47Å; A1800-M1931 WeakPolarHBondContact CB-O 3.32Å
1801	A	22.5	Very low	21.9	Very low	28 Å²	28	74.8 Å²	74.8	23%	0.231	44%	0.444	C	S	.	.			cis	-172	135.2	-39.8	0	0	0	0	0	106.5	M1931 C1932 A1933 L1947	A1801-M1931 PolarHBondContact N-O 3.43Å; A1801-M1931 VanDerWaalsContact N-O 3.1Å; A1801-C1932 WeakPolarHBondContact O-CA 3.36Å; A1801-A1933 PolarHBondContact O-N 3.13Å; A1801-L1947 HydrophobicContact CB-CD2 4.28Å
1802	L	21.7	Very low	22.1	Very low	41 Å²	41	77.7 Å²	77.7	22%	0.215	45%	0.448	C	S	.	.			trans	60.7	154.3	154.9	-59.4	155.4	0	0	0	118.3	C1932 A1933 I1934 L1947 V1951 W2004	L1802-C1932 PolarHBondContact O-SG 3Å; L1802-A1933 WeakPolarHBondContact O-CA 3.49Å; L1802-A1933 VanDerWaalsContact O-CB 3.28Å; L1802-A1933 WeakPolarHBondContact O-CB 3.37Å; L1802-A1933 PolarHBondContact O-N 3.34Å; L1802-I1934 PolarHBondContact O-N 3.16Å; L1802-L1947 HydrophobicContact CD1-CD2 4.17Å; L1802-L1947 HydrophobicContact CD1-CG 4.45Å; L1802-V1951 HydrophobicContact CB-CG2 4.06Å; L1802-V1951 HydrophobicContact CD1-CG2 4Å; L1802-W2004 HydrophobicContact CD2-CE3 4.03Å; L1802-W2004 HydrophobicContact CD2-CH2 3.68Å; L1802-W2004 HydrophobicContact CD2-CZ3 3.4Å; L1802-W2004 HydrophobicContact CG-CH2 4.37Å; L1802-W2004 HydrophobicContact CG-CZ3 4.26Å
1803	R	23.3	Very low	22.4	Very low	75 Å²	75	77.2 Å²	77.2	28%	0.283	44%	0.442	S	S	.	.			cis	164.2	108.8	-24.9	175	-179.4	-174.9	176.6	-3.9	105.6	I1934 D2000 W2004	R1803-I1934 VanDerWaalsContact N-CG1 3.25Å; R1803-I1934 VanDerWaalsContact O-CD1 3.22Å; R1803-I1934 WeakPolarHBondContact O-CD1 3.27Å; R1803-D2000 PolarHBondContact NH2-O 2.95Å; R1803-W2004 HydrophobicContact CB-CH2 4.41Å; R1803-W2004 HydrophobicContact CB-CZ2 4.2Å; R1803-W2004 HydrophobicContact CG-CZ2 4.03Å; R1803-W2004 VanDerWaalsContact CZ-CD2 3.49Å; R1803-W2004 VanDerWaalsContact NH2-CG 3.35Å
1804	D	22.5	Very low	23	Very low	84 Å²	84	77.5 Å²	77.5	45%	0.449	46%	0.456	S	S	.	.			trans	-117.9	122.1	164.6	-104.5	17.2	0	0	0	107.6	I1934 H1954	D1804-I1934 HydrophobicContact CB-CG1 4.31Å; D1804-I1934 HydrophobicContact CB-CG2 3.96Å; D1804-I1934 WeakPolarHBondContact OD1-CD1 3.41Å; D1804-I1934 WeakPolarHBondContact OD2-CG2 3.13Å; D1804-H1954 WeakPolarHBondContact OD1-CB 3.5Å; D1804-H1954 IonicContact OD1-CE1 3.15Å; D1804-H1954 IonicContact OD1-CG 3.88Å; D1804-H1954 IonicContact OD1-ND1 2.69Å; D1804-H1954 PolarHBondContact OD1-ND1 2.93Å; D1804-H1954 IonicContact OD2-CE1 3.62Å; D1804-H1954 IonicContact OD2-ND1 3.6Å; D1804-H1954 PolarHBondContact OD2-ND1 3.16Å
1805	A	23.4	Very low	23.5	Very low	53 Å²	53	79.3 Å²	79.3	44%	0.438	46%	0.458	S	S	.	.			cis	83.4	140.1	45.4	0	0	0	0	0	112.2
1806	D	22.5	Very low	24.6	Very low	52 Å²	52	80.5 Å²	80.5	28%	0.278	46%	0.456	S	S	.	.			cis	-123.8	-159.8	7.1	-80.4	-64.6	0	0	0	111.3
1807	D	24.6	Very low	26	Very low	57 Å²	57	80.3 Å²	80.3	31%	0.305	46%	0.455	S	S	.	.			trans	93.7	113.9	152.1	-57.8	-26.7	0	0	0	116.8	G1995 D1996	D1807-G1995 WeakPolarHBondContact OD1-CA 3.01Å; D1807-G1995 PolarHBondContact OD1-N 3.15Å; D1807-D1996 CarbonylContact C-O 3.6Å
1808	R	23	Very low	28.2	Very low	83 Å²	83	74.3 Å²	74.3	31%	0.313	43%	0.433	S	S	.	.			cis	-159.1	-90.2	-16.5	-170.1	-143.6	-94.4	133.8	8.4	117.2	E1957 G1995 D1996 E1997 N1998	R1808-E1957 IonicContact NE-OE2 3.59Å; R1808-E1957 PolarHBondContact NE-OE2 2.8Å; R1808-E1957 IonicContact NH2-OE2 2.85Å; R1808-G1995 PolarHBondContact NH1-O 3.3Å; R1808-G1995 VanDerWaalsContact NH2-N 3.16Å; R1808-G1995 PolarHBondContact NH2-O 3.13Å; R1808-D1996 VanDerWaalsContact CB-CA 3.48Å; R1808-D1996 IonicContact CZ-OD1 3.35Å; R1808-D1996 VanDerWaalsContact N-C 3.33Å; R1808-D1996 PolarHBondContact N-O 2.99Å; R1808-D1996 VanDerWaalsContact N-O 3.15Å; R1808-D1996 IonicContact NH1-OD1 2.98Å; R1808-D1996 PolarHBondContact NH1-OD1 3.37Å; R1808-D1996 IonicContact NH1-OD2 2.74Å; R1808-D1996 PolarHBondContact NH1-OD2 2.67Å; R1808-E1997 CarbonylContact C-O 3.29Å; R1808-E1997 WeakPolarHBondContact CA-O 3.39Å; R1808-E1997 PolarHBondContact N-O 3.11Å; R1808-N1998 WeakPolarHBondContact O-CA 3.1Å; R1808-N1998 WeakPolarHBondContact O-CB 3.37Å; R1808-N1998 PolarHBondContact O-ND2 3.1Å; R1808-N1998 VanDerWaalsContact O-ND2 3.13Å; R1808-N1998 PolarHBondContact O-OD1 2.68Å
1809	D	22.1	Very low	30.4	Very low	85 Å²	85	77.6 Å²	77.6	46%	0.455	44%	0.44	S	S	.	.			trans	-145.2	128.4	-162.4	-149.9	0.6	0	0	0	119	E1997 N1998	D1809-E1997 VanDerWaalsContact C-CA 3.45Å; D1809-E1997 PolarHBondContact N-O 3.35Å; D1809-E1997 VanDerWaalsContact O-CA 3.29Å; D1809-E1997 WeakPolarHBondContact O-CA 3.3Å; D1809-E1997 PolarHBondContact O-N 3.21Å; D1809-N1998 PolarHBondContact OD1-ND2 3.33Å
1810	K	21.9	Very low	32.8	Very low	96 Å²	96	73.7 Å²	73.7	42%	0.417	42%	0.419	S	S	.	.			trans	136.9	103.9	171	-84.7	175.5	-101.5	69.5	0	114.6	D1996 E1997 N1998	K1810-D1996 IonicContact NZ-OD1 2.67Å; K1810-E1997 IonicContact NZ-OE1 3.06Å; K1810-E1997 PolarHBondContact NZ-OE1 2.73Å; K1810-N1998 CarbonylContact C-O 3.02Å; K1810-N1998 VanDerWaalsContact N-N 3.2Å
1811	T	22.4	Very low	35.2	Very low	98 Å²	98	77.8 Å²	77.8	60%	0.601	43%	0.43	S	S	*	.				71.8	141.7	77.8	63.5	0	0	0	0	115.2
1812	D	23.1	Very low	36.9	Very low	141 Å²	141	80 Å²	80	75%	0.754	44%	0.437	S	S	*	.			cis	-163.2	-177.9	32.8	-152.2	-8.2	0	0	0	113.9
1813	D	25.7	Very low	39.2	Very low	96 Å²	96	81.1 Å²	81.1	51%	0.513	45%	0.448	S	S	.	.			trans	71.3	117.3	157.9	-100.8	-32.6	0	0	0	120.8	R1826	D1813-R1826 IonicContact OD2-NH1 3.62Å
1814	G	32.4	Very low	41.1	Very low	75 Å²	75	79.4 Å²	79.4	77%	0.773	45%	0.453	S	S	*	.			trans	-166	8.4	173.2	0	0	0	0	0	115.1
1815	L	30.9	Very low	43.1	Very low	122 Å²	122	78 Å²	78	64%	0.639	44%	0.444	S	S	*	.	S	Bend	trans	-132.2	102	-178.1	-72.9	175.2	0	0	0	110.8	E1817 V1828	L1815-E1817 PolarHBondContact O-N 2.92Å; L1815-V1828 HydrophobicContact CB-CG1 3.72Å; L1815-V1828 HydrophobicContact CD1-CG1 3.95Å
1816	S	44.3	Very low	45.4	Very low	89 Å²	89	82.7 Å²	82.7	62%	0.622	45%	0.45	S	S	*	.			trans	-33.6	109.2	-174.5	58.2	0	0	0	0	114.6	N1829	S1816-N1829 PolarHBondContact O-ND2 3.12Å; S1816-N1829 PolarHBondContact OG-ND2 3.27Å
1817	E	50.8	Low	47.7	Very low	61 Å²	61	80.9 Å²	80.9	29%	0.285	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-83	130.6	177	-57.1	-167.3	94.7	0	0	111.1	L1815 R1826 I1827 V1828	L1815-E1817 PolarHBondContact O-N 2.92Å; E1817-R1826 HydrophobicContact CB-CB 3.8Å; E1817-R1826 HydrophobicContact CG-CB 4.28Å; E1817-R1826 VanDerWaalsContact OE1-CB 3.26Å; E1817-R1826 WeakPolarHBondContact OE1-CB 3.48Å; E1817-R1826 WeakPolarHBondContact OE2-CB 3.34Å; E1817-R1826 WeakPolarHBondContact OE2-CD 3.33Å; E1817-R1826 IonicContact OE2-CZ 2.67Å; E1817-R1826 VanDerWaalsContact OE2-CZ 3.22Å; E1817-R1826 IonicContact OE2-NE 3.32Å; E1817-R1826 PolarHBondContact OE2-NE 3.1Å; E1817-R1826 IonicContact OE2-NH1 3.39Å; E1817-R1826 PolarHBondContact OE2-NH1 2.97Å; E1817-I1827 WeakPolarHBondContact CA-O 2.96Å; E1817-V1828 HydrophobicContact CG-CG2 4.21Å
1818	V	66.3	Low	50.2	Low	44 Å²	44	80.9 Å²	80.9	27%	0.267	44%	0.442	S	S	.	.			trans	-95	109.7	171.6	-173.2	0	0	0	0	108.6	C1820 I1827 N1829 F1899	V1818-C1820 PolarHBondContact O-N 3.46Å; V1818-I1827 PolarHBondContact N-O 3.33Å; V1818-I1827 PolarHBondContact O-N 3.38Å; V1818-N1829 VanDerWaalsContact CG2-ND2 3.3Å; V1818-N1829 WeakPolarHBondContact CG2-ND2 3.28Å; V1818-N1829 WeakPolarHBondContact CG2-OD1 3.29Å; V1818-F1899 HydrophobicContact CB-CD1 4.41Å; V1818-F1899 HydrophobicContact CB-CE1 4.33Å; V1818-F1899 HydrophobicContact CG1-CD1 3.47Å; V1818-F1899 VanDerWaalsContact CG1-CD1 3.47Å; V1818-F1899 HydrophobicContact CG1-CE1 3.79Å
1819	E	71.3	Confident	51.6	Low	116 Å²	116	80.9 Å²	80.9	54%	0.542	45%	0.449	S	S	.	.			trans	-62.4	132.4	172.3	-163.8	-167.6	148.9	0	0	111.1	G1824 R1826	E1819-G1824 WeakPolarHBondContact OE1-CA 3.16Å; E1819-R1826 HydrophobicContact CB-CG 4.24Å; E1819-R1826 HydrophobicContact CG-CG 4.23Å
1820	C	72.1	Confident	53.6	Low	0 Å²	0	78.2 Å²	78.2	0%	0	44%	0.441	C	S	.	.			trans	-82.1	118.4	171.1	170.8	0	0	0	0	112.3	V1818 I1822 C1823 G1824 E1825 I1827 H1837 H1841 C1898 F1899	V1818-C1820 PolarHBondContact O-N 3.46Å; C1820-I1822 PolarHBondContact O-N 2.69Å; C1820-I1822 PolarHBondContact SG-N 3.14Å; C1820-C1823 PolarHBondContact O-N 2.6Å; C1820-G1824 PolarHBondContact O-N 2.9Å; C1820-E1825 PolarHBondContact N-O 3.28Å; C1820-I1827 HydrophobicContact CB-CD1 3.94Å; C1820-H1837 WeakPolarHBondContact CB-CE1 3.49Å; C1820-H1837 WeakPolarHBondContact CB-NE2 3.26Å; C1820-H1837 PolarHBondContact SG-CE1 2.62Å; C1820-H1837 PolarHBondContact SG-NE2 3.31Å; C1820-H1841 PolarHBondContact SG-NE2 3.02Å; C1820-C1898 HydrophobicContact CB-CB 4.37Å; C1820-C1898 VanDerWaalsContact SG-CB 3.55Å; C1820-C1898 PolarHBondContact SG-SG 3.11Å; C1820-F1899 HydrophobicContact CB-CE1 4.4Å
1821	Q	72.2	Confident	55.3	Low	137 Å²	137	80.1 Å²	80.1	64%	0.64	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	4	176.5	-58.3	-176.1	0.2	0	0	116
1822	I	58.8	Low	57.2	Low	74 Å²	74	81.2 Å²	81.2	38%	0.379	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-17.1	-178.8	-46	-179.1	0	0	0	112.7	C1820 H1841 L1894 Q1897 C1898	C1820-I1822 PolarHBondContact O-N 2.69Å; C1820-I1822 PolarHBondContact SG-N 3.14Å; I1822-H1841 VanDerWaalsContact C-CE1 3.45Å; I1822-H1841 WeakPolarHBondContact CB-CE1 3.34Å; I1822-H1841 VanDerWaalsContact CG2-ND1 3.33Å; I1822-H1841 WeakPolarHBondContact CG2-ND1 3.49Å; I1822-L1894 HydrophobicContact CD1-CD2 3.5Å; I1822-Q1897 HydrophobicContact CD1-CB 3.56Å; I1822-Q1897 HydrophobicContact CG1-CB 4.39Å; I1822-C1898 HydrophobicContact CD1-CB 4.5Å; I1822-C1898 WeakPolarHBondContact CD1-SG 3.39Å
1823	C	69.6	Low	59.5	Low	66 Å²	66	77 Å²	77	45%	0.446	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.2	0.7	170	66.2	0	0	0	0	116.4	C1820 E1825 H1841	C1820-C1823 PolarHBondContact O-N 2.6Å; C1823-E1825 PolarHBondContact O-N 2.79Å; C1823-E1825 VanDerWaalsContact SG-CG 3.58Å; C1823-H1841 PolarHBondContact SG-CE1 3.09Å; C1823-H1841 PolarHBondContact SG-NE2 3.36Å
1824	G	62.7	Low	61.8	Low	38 Å²	38	75.5 Å²	75.5	39%	0.392	42%	0.424	S	S	.	.			trans	71.7	7.2	-178	0	0	0	0	0	114.7	E1819 C1820 R1826	E1819-G1824 WeakPolarHBondContact OE1-CA 3.16Å; C1820-G1824 PolarHBondContact O-N 2.9Å; G1824-R1826 PolarHBondContact O-N 2.26Å; G1824-R1826 VanDerWaalsContact O-N 3.14Å
1825	E	65.5	Low	63.5	Low	56 Å²	56	73.8 Å²	73.8	26%	0.262	40%	0.399	S	S	.	.			trans	-64.1	116	166.8	-78	-176.7	161.1	0	0	108.9	C1820 C1823 I1827 H1837 R1840	C1820-E1825 PolarHBondContact N-O 3.28Å; C1823-E1825 PolarHBondContact O-N 2.79Å; C1823-E1825 VanDerWaalsContact SG-CG 3.58Å; E1825-I1827 HydrophobicContact CB-CG1 4.45Å; E1825-I1827 WeakPolarHBondContact O-CG1 3.38Å; E1825-H1837 IonicContact OE2-CE1 3.63Å; E1825-H1837 IonicContact OE2-CG 3.84Å; E1825-H1837 IonicContact OE2-ND1 3.71Å; E1825-H1837 PolarHBondContact OE2-ND1 3.29Å; E1825-R1840 WeakPolarHBondContact OE1-CD 3.45Å; E1825-R1840 IonicContact OE1-CZ 2.72Å; E1825-R1840 IonicContact OE1-NE 3.98Å; E1825-R1840 PolarHBondContact OE1-NE 3.48Å; E1825-R1840 IonicContact OE1-NH1 2.7Å; E1825-R1840 PolarHBondContact OE1-NH1 2.84Å; E1825-R1840 IonicContact OE1-NH2 3.66Å; E1825-R1840 PolarHBondContact OE1-NH2 2.88Å; E1825-R1840 WeakPolarHBondContact OE2-CD 3.3Å; E1825-R1840 IonicContact OE2-CZ 2.95Å; E1825-R1840 IonicContact OE2-NE 2.77Å; E1825-R1840 IonicContact OE2-NH1 2.82Å; E1825-R1840 PolarHBondContact OE2-NH1 3.25Å
1826	R	71.2	Confident	65.3	Low	151 Å²	151	74.2 Å²	74.2	57%	0.57	40%	0.395	S	S	*	.			trans	-70.4	138.7	162	-64.2	-166.6	-81.1	144.1	-11.5	109.3	D1813 E1817 E1819 G1824	D1813-R1826 IonicContact OD2-NH1 3.62Å; E1817-R1826 HydrophobicContact CB-CB 3.8Å; E1817-R1826 HydrophobicContact CG-CB 4.28Å; E1817-R1826 VanDerWaalsContact OE1-CB 3.26Å; E1817-R1826 WeakPolarHBondContact OE1-CB 3.48Å; E1817-R1826 WeakPolarHBondContact OE2-CB 3.34Å; E1817-R1826 WeakPolarHBondContact OE2-CD 3.33Å; E1817-R1826 IonicContact OE2-CZ 2.67Å; E1817-R1826 VanDerWaalsContact OE2-CZ 3.22Å; E1817-R1826 IonicContact OE2-NE 3.32Å; E1817-R1826 PolarHBondContact OE2-NE 3.1Å; E1817-R1826 IonicContact OE2-NH1 3.39Å; E1817-R1826 PolarHBondContact OE2-NH1 2.97Å; E1819-R1826 HydrophobicContact CB-CG 4.24Å; E1819-R1826 HydrophobicContact CG-CG 4.23Å; G1824-R1826 PolarHBondContact O-N 2.26Å; G1824-R1826 VanDerWaalsContact O-N 3.14Å
1827	I	71.3	Confident	67	Low	14 Å²	14	70.2 Å²	70.2	7%	0.072	37%	0.366	C	S	.	.			trans	-139.5	108	-168.5	-50.7	148.5	0	0	0	110	E1817 V1818 C1820 E1825 N1829 H1837 F1899	E1817-I1827 WeakPolarHBondContact CA-O 2.96Å; V1818-I1827 PolarHBondContact N-O 3.33Å; V1818-I1827 PolarHBondContact O-N 3.38Å; C1820-I1827 HydrophobicContact CB-CD1 3.94Å; E1825-I1827 HydrophobicContact CB-CG1 4.45Å; E1825-I1827 WeakPolarHBondContact O-CG1 3.38Å; I1827-N1829 PolarHBondContact O-N 3.48Å; I1827-H1837 HydrophobicContact CD1-CB 3.94Å; I1827-H1837 WeakPolarHBondContact CD1-CD2 3.47Å; I1827-H1837 HydrophobicContact CG1-CB 4.13Å; I1827-F1899 HydrophobicContact CD1-CE1 3.85Å; I1827-F1899 HydrophobicContact CD1-CZ 3.62Å
1828	V	77.4	Confident	67.8	Low	57 Å²	57	67.3 Å²	67.3	35%	0.345	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-47.6	126	168.7	-176.8	0	0	0	0	110.9	L1815 E1817 G1830 T1833	L1815-V1828 HydrophobicContact CB-CG1 3.72Å; L1815-V1828 HydrophobicContact CD1-CG1 3.95Å; E1817-V1828 HydrophobicContact CG-CG2 4.21Å; V1828-G1830 PolarHBondContact O-N 2.87Å; V1828-T1833 PolarHBondContact O-OG1 3.38Å
1829	N	51.2	Low	67.8	Low	83 Å²	83	66.7 Å²	66.7	44%	0.444	35%	0.35	S	S	.	.	S	Bend	trans	-61.9	95.4	-173.1	-94.8	-54.8	0	0	0	113.7	S1816 V1818 I1827	S1816-N1829 PolarHBondContact O-ND2 3.12Å; S1816-N1829 PolarHBondContact OG-ND2 3.27Å; V1818-N1829 VanDerWaalsContact CG2-ND2 3.3Å; V1818-N1829 WeakPolarHBondContact CG2-ND2 3.28Å; V1818-N1829 WeakPolarHBondContact CG2-OD1 3.29Å; I1827-N1829 PolarHBondContact O-N 3.48Å
1830	G	64.6	Low	67.2	Low	29 Å²	29	67.6 Å²	67.6	30%	0.299	35%	0.348	S	S	.	.			trans	-156.4	147.2	171.3	0	0	0	0	0	112.2	V1828 L1832 T1833 R1834	V1828-G1830 PolarHBondContact O-N 2.87Å; G1830-L1832 PolarHBondContact O-N 3.41Å; G1830-T1833 WeakPolarHBondContact CA-OG1 3.16Å; G1830-T1833 PolarHBondContact N-OG1 3.43Å; G1830-T1833 PolarHBondContact O-N 2.43Å; G1830-T1833 PolarHBondContact O-OG1 3.43Å; G1830-R1834 VanDerWaalsContact O-CB 3.32Å; G1830-R1834 WeakPolarHBondContact O-CB 3.29Å; G1830-R1834 PolarHBondContact O-N 3.3Å
1831	D	57.1	Low	66.8	Low	136 Å²	136	69.6 Å²	69.6	73%	0.727	36%	0.357	S	S	*	.	H	α-helix	trans	-63	-30.6	-175.6	-78.1	-44.1	0	0	0	113.1	T1835	D1831-T1835 WeakPolarHBondContact O-CB 3.32Å; D1831-T1835 PolarHBondContact O-N 2.77Å; D1831-T1835 PolarHBondContact O-OG1 2.91Å
1832	L	63.3	Low	66.3	Low	120 Å²	120	64.1 Å²	64.1	63%	0.628	33%	0.332	S	S	*	.	H	α-helix	trans	-76.4	-37.7	177.1	-173.9	61.3	0	0	0	112.8	G1830 K1836	G1830-L1832 PolarHBondContact O-N 3.41Å; L1832-K1836 WeakPolarHBondContact O-CB 3.13Å; L1832-K1836 VanDerWaalsContact O-CG 3.25Å; L1832-K1836 WeakPolarHBondContact O-CG 3.24Å; L1832-K1836 PolarHBondContact O-N 2.77Å
1833	T	70.7	Confident	65.5	Low	53 Å²	53	62 Å²	62	33%	0.325	33%	0.328	S	S	.	.	H	α-helix	trans	-70.9	-50.4	176.2	43.5	0	0	0	0	110.4	V1828 G1830 T1835 K1836 H1837	V1828-T1833 PolarHBondContact O-OG1 3.38Å; G1830-T1833 WeakPolarHBondContact CA-OG1 3.16Å; G1830-T1833 PolarHBondContact N-OG1 3.43Å; G1830-T1833 PolarHBondContact O-N 2.43Å; G1830-T1833 PolarHBondContact O-OG1 3.43Å; T1833-T1835 VanDerWaalsContact C-N 3.26Å; T1833-T1835 PolarHBondContact O-N 3.21Å; T1833-K1836 PolarHBondContact O-N 3.35Å; T1833-H1837 WeakPolarHBondContact O-CB 3.36Å; T1833-H1837 PolarHBondContact O-N 2.67Å
1834	R	73.4	Confident	64.4	Low	65 Å²	65	60 Å²	60	25%	0.245	31%	0.314	C	S	.	.	H	α-helix	trans	-54.4	-40.7	172	176.7	173.9	-89.5	135	1.9	112	G1830 L1838 F1899	G1830-R1834 VanDerWaalsContact O-CB 3.32Å; G1830-R1834 WeakPolarHBondContact O-CB 3.29Å; G1830-R1834 PolarHBondContact O-N 3.3Å; R1834-L1838 HydrophobicContact CG-CD1 3.93Å; R1834-L1838 WeakPolarHBondContact O-CB 3.49Å; R1834-L1838 VanDerWaalsContact O-CG 3.28Å; R1834-L1838 WeakPolarHBondContact O-CG 3.3Å; R1834-L1838 PolarHBondContact O-N 3.12Å; R1834-F1899 HydrophobicContact CG-CD2 4.47Å; R1834-F1899 HydrophobicContact CG-CE2 3.78Å; R1834-F1899 HydrophobicContact CG-CZ 4.33Å
1835	T	69.9	Low	64.5	Low	39 Å²	39	61.3 Å²	61.3	24%	0.239	31%	0.307	C	S	.	.	H	α-helix	trans	-66.9	-50.7	175.8	-71.7	0	0	0	0	112.2	R1025 D1831 T1833 H1837 L1838 T1839 Y1891	R1025-T1835 PolarHBondContact NH1-OG1 2.93Å; D1831-T1835 WeakPolarHBondContact O-CB 3.32Å; D1831-T1835 PolarHBondContact O-N 2.77Å; D1831-T1835 PolarHBondContact O-OG1 2.91Å; T1833-T1835 VanDerWaalsContact C-N 3.26Å; T1833-T1835 PolarHBondContact O-N 3.21Å; T1835-H1837 VanDerWaalsContact C-N 3.31Å; T1835-H1837 PolarHBondContact O-N 2.81Å; T1835-L1838 PolarHBondContact O-N 2.9Å; T1835-T1839 PolarHBondContact O-N 3.5Å; T1835-T1839 VanDerWaalsContact O-N 3.12Å; T1835-T1839 PolarHBondContact O-OG1 3.25Å; T1835-Y1891 HydrophobicContact CG2-CE1 4.42Å; T1835-Y1891 WeakPolarHBondContact CG2-OH 3.31Å; T1835-Y1891 PolarHBondContact O-OH 3.22Å
1836	K	68.3	Low	64.4	Low	130 Å²	130	62.1 Å²	62.1	57%	0.565	31%	0.311	S	S	*	.	H	α-helix	trans	-54.5	-47	175.8	-77.9	169.8	178.1	178.2	0	111.9	L1832 T1833 T1839	L1832-K1836 WeakPolarHBondContact O-CB 3.13Å; L1832-K1836 VanDerWaalsContact O-CG 3.25Å; L1832-K1836 WeakPolarHBondContact O-CG 3.24Å; L1832-K1836 PolarHBondContact O-N 2.77Å; T1833-K1836 PolarHBondContact O-N 3.35Å; K1836-T1839 VanDerWaalsContact C-OG1 3.32Å; K1836-T1839 WeakPolarHBondContact CA-OG1 3.17Å; K1836-T1839 PolarHBondContact O-N 3.43Å; K1836-T1839 PolarHBondContact O-OG1 2.84Å
1837	H	78.9	Confident	64.7	Low	5 Å²	5	55.7 Å²	55.7	2%	0.023	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-48.7	178.6	161.9	79	0	0	0	112	C1820 E1825 I1827 T1833 T1835 T1839 R1840 H1841 F1899	C1820-H1837 WeakPolarHBondContact CB-CE1 3.49Å; C1820-H1837 WeakPolarHBondContact CB-NE2 3.26Å; C1820-H1837 PolarHBondContact SG-CE1 2.62Å; C1820-H1837 PolarHBondContact SG-NE2 3.31Å; E1825-H1837 IonicContact OE2-CE1 3.63Å; E1825-H1837 IonicContact OE2-CG 3.84Å; E1825-H1837 IonicContact OE2-ND1 3.71Å; E1825-H1837 PolarHBondContact OE2-ND1 3.29Å; I1827-H1837 HydrophobicContact CD1-CB 3.94Å; I1827-H1837 WeakPolarHBondContact CD1-CD2 3.47Å; I1827-H1837 HydrophobicContact CG1-CB 4.13Å; T1833-H1837 WeakPolarHBondContact O-CB 3.36Å; T1833-H1837 PolarHBondContact O-N 2.67Å; T1835-H1837 VanDerWaalsContact C-N 3.31Å; T1835-H1837 PolarHBondContact O-N 2.81Å; H1837-T1839 VanDerWaalsContact C-N 3.25Å; H1837-T1839 PolarHBondContact O-N 2.73Å; H1837-R1840 WeakPolarHBondContact O-CA 3.43Å; H1837-R1840 WeakPolarHBondContact O-CB 2.99Å; H1837-R1840 PolarHBondContact O-N 3.27Å; H1837-H1841 AromaticContact CE1-CD2 3.34Å; H1837-H1841 PolarHBondContact CE1-CD2 3.21Å; H1837-H1841 AromaticContact CE1-NE2 3.04Å; H1837-H1841 PolarHBondContact CE1-NE2 3.37Å; H1837-H1841 AromaticContact NE2-CD2 3.22Å; H1837-H1841 PolarHBondContact NE2-CD2 2.89Å; H1837-H1841 AromaticContact NE2-NE2 3.32Å; H1837-H1841 PolarHBondContact NE2-NE2 2.95Å; H1837-F1899 AromaticContact CD2-CZ 3.93Å
1838	L	68.2	Low	64.8	Low	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-28.2	179.8	-75.7	168.1	0	0	0	112.9	R1834 T1835 R1840 H1841 L1842 Y1891 L1894 C1898 F1899	R1834-L1838 HydrophobicContact CG-CD1 3.93Å; R1834-L1838 WeakPolarHBondContact O-CB 3.49Å; R1834-L1838 VanDerWaalsContact O-CG 3.28Å; R1834-L1838 WeakPolarHBondContact O-CG 3.3Å; R1834-L1838 PolarHBondContact O-N 3.12Å; T1835-L1838 PolarHBondContact O-N 2.9Å; L1838-R1840 PolarHBondContact O-N 3.05Å; L1838-H1841 PolarHBondContact O-N 3.42Å; L1838-L1842 PolarHBondContact O-N 3.24Å; L1838-L1842 VanDerWaalsContact O-N 3.09Å; L1838-Y1891 HydrophobicContact CB-CD1 3.52Å; L1838-Y1891 HydrophobicContact CB-CE1 3.48Å; L1838-Y1891 VanDerWaalsContact CB-CE1 3.48Å; L1838-Y1891 HydrophobicContact CD1-CD1 4.12Å; L1838-Y1891 HydrophobicContact CD1-CE1 4.39Å; L1838-Y1891 HydrophobicContact CG-CD1 4.43Å; L1838-L1894 HydrophobicContact CD2-CB 3.87Å; L1838-C1898 HydrophobicContact CD2-CB 4.13Å; L1838-C1898 WeakPolarHBondContact CD2-SG 3.47Å; L1838-F1899 HydrophobicContact CD1-CE2 4.13Å; L1838-F1899 HydrophobicContact CD2-CE2 4.08Å; L1838-F1899 HydrophobicContact CG-CE2 4.13Å
1839	T	66.4	Low	64.8	Low	32 Å²	32	57.8 Å²	57.8	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-26.8	168.2	17.1	0	0	0	0	114.1	T1835 K1836 H1837 Y1891	T1835-T1839 PolarHBondContact O-N 3.5Å; T1835-T1839 VanDerWaalsContact O-N 3.12Å; T1835-T1839 PolarHBondContact O-OG1 3.25Å; K1836-T1839 VanDerWaalsContact C-OG1 3.32Å; K1836-T1839 WeakPolarHBondContact CA-OG1 3.17Å; K1836-T1839 PolarHBondContact O-N 3.43Å; K1836-T1839 PolarHBondContact O-OG1 2.84Å; H1837-T1839 VanDerWaalsContact C-N 3.25Å; H1837-T1839 PolarHBondContact O-N 2.73Å; T1839-Y1891 HydrophobicContact CG2-CE2 4.07Å; T1839-Y1891 WeakPolarHBondContact CG2-OH 3.42Å
1840	R	59.5	Low	66.2	Low	134 Å²	134	60.5 Å²	60.5	51%	0.506	29%	0.293	S	S	.	.	H	α-helix	trans	-67.3	-42.5	174.6	-170	179.8	-82	115.2	-15.3	110.7	E1825 H1837 L1838	E1825-R1840 WeakPolarHBondContact OE1-CD 3.45Å; E1825-R1840 IonicContact OE1-CZ 2.72Å; E1825-R1840 IonicContact OE1-NE 3.98Å; E1825-R1840 PolarHBondContact OE1-NE 3.48Å; E1825-R1840 IonicContact OE1-NH1 2.7Å; E1825-R1840 PolarHBondContact OE1-NH1 2.84Å; E1825-R1840 IonicContact OE1-NH2 3.66Å; E1825-R1840 PolarHBondContact OE1-NH2 2.88Å; E1825-R1840 WeakPolarHBondContact OE2-CD 3.3Å; E1825-R1840 IonicContact OE2-CZ 2.95Å; E1825-R1840 IonicContact OE2-NE 2.77Å; E1825-R1840 IonicContact OE2-NH1 2.82Å; E1825-R1840 PolarHBondContact OE2-NH1 3.25Å; H1837-R1840 WeakPolarHBondContact O-CA 3.43Å; H1837-R1840 WeakPolarHBondContact O-CB 2.99Å; H1837-R1840 PolarHBondContact O-N 3.27Å; L1838-R1840 PolarHBondContact O-N 3.05Å
1841	H	62.6	Low	66.6	Low	42 Å²	42	62.7 Å²	62.7	19%	0.194	29%	0.293	C	S	.	.	H	α-helix	trans	-68.8	-38	176	-77.3	-63.3	0	0	0	114.7	C1820 I1822 C1823 H1837 L1838 G1843 L1894	C1820-H1841 PolarHBondContact SG-NE2 3.02Å; I1822-H1841 VanDerWaalsContact C-CE1 3.45Å; I1822-H1841 WeakPolarHBondContact CB-CE1 3.34Å; I1822-H1841 VanDerWaalsContact CG2-ND1 3.33Å; I1822-H1841 WeakPolarHBondContact CG2-ND1 3.49Å; C1823-H1841 PolarHBondContact SG-CE1 3.09Å; C1823-H1841 PolarHBondContact SG-NE2 3.36Å; H1837-H1841 AromaticContact CE1-CD2 3.34Å; H1837-H1841 PolarHBondContact CE1-CD2 3.21Å; H1837-H1841 AromaticContact CE1-NE2 3.04Å; H1837-H1841 PolarHBondContact CE1-NE2 3.37Å; H1837-H1841 AromaticContact NE2-CD2 3.22Å; H1837-H1841 PolarHBondContact NE2-CD2 2.89Å; H1837-H1841 AromaticContact NE2-NE2 3.32Å; H1837-H1841 PolarHBondContact NE2-NE2 2.95Å; L1838-H1841 PolarHBondContact O-N 3.42Å; H1841-G1843 PolarHBondContact O-N 3.16Å; H1841-L1894 HydrophobicContact CB-CD1 3.84Å; H1841-L1894 HydrophobicContact CB-CD2 3.94Å; H1841-L1894 HydrophobicContact CB-CG 4.35Å
1842	L	62	Low	67.4	Low	22 Å²	22	58.4 Å²	58.4	12%	0.115	27%	0.273	C	S	.	.	H	α-helix	trans	-59.1	-34.1	179.4	-96.7	164.9	0	0	0	113.5	L1838 D1844 A1890 Y1891 L1894	L1838-L1842 PolarHBondContact O-N 3.24Å; L1838-L1842 VanDerWaalsContact O-N 3.09Å; L1842-D1844 HydrophobicContact CB-CB 3.84Å; L1842-D1844 HydrophobicContact CD1-CB 4.33Å; L1842-D1844 VanDerWaalsContact CD1-OD2 3.3Å; L1842-D1844 WeakPolarHBondContact CD1-OD2 3.31Å; L1842-D1844 PolarHBondContact O-N 3.05Å; L1842-A1890 HydrophobicContact CD2-CB 3.4Å; L1842-Y1891 HydrophobicContact CD1-CD1 3.9Å; L1842-Y1891 HydrophobicContact CD1-CD2 3.12Å; L1842-Y1891 HydrophobicContact CD1-CE1 4.35Å; L1842-Y1891 HydrophobicContact CD1-CE2 3.63Å; L1842-Y1891 HydrophobicContact CD1-CG 3.21Å; L1842-Y1891 HydrophobicContact CG-CG 4.33Å; L1842-L1894 HydrophobicContact CB-CD1 4.36Å; L1842-L1894 HydrophobicContact CD2-CD1 4.06Å; L1842-L1894 HydrophobicContact CG-CD1 3.77Å
1843	G	42.8	Very low	67.6	Low	29 Å²	29	59.2 Å²	59.2	30%	0.299	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	24.1	-166.7	0	0	0	0	0	112.8	H1841 Y1845	H1841-G1843 PolarHBondContact O-N 3.16Å; G1843-Y1845 PolarHBondContact O-N 3.17Å
1844	D	46.2	Very low	67.8	Low	26 Å²	26	60.3 Å²	60.3	14%	0.139	27%	0.274	C	S	.	.			trans	-65.8	2.4	-171.5	-105.9	5.3	0	0	0	115.2	L1842 E1846 F1857 I1887	L1842-D1844 HydrophobicContact CB-CB 3.84Å; L1842-D1844 HydrophobicContact CD1-CB 4.33Å; L1842-D1844 VanDerWaalsContact CD1-OD2 3.3Å; L1842-D1844 WeakPolarHBondContact CD1-OD2 3.31Å; L1842-D1844 PolarHBondContact O-N 3.05Å; D1844-E1846 PolarHBondContact O-N 2.79Å; D1844-E1846 VanDerWaalsContact O-N 3.13Å; D1844-F1857 HydrophobicContact CB-CE1 4.39Å; D1844-F1857 VanDerWaalsContact O-CE1 3.27Å; D1844-F1857 WeakPolarHBondContact O-CE1 3.46Å; D1844-I1887 VanDerWaalsContact OD2-CG2 3.26Å; D1844-I1887 WeakPolarHBondContact OD2-CG2 3.26Å
1845	Y	63.9	Low	67.9	Low	65 Å²	65	58.3 Å²	58.3	26%	0.255	27%	0.27	S	S	.	.			trans	-47.4	114	158.2	-57.6	-62.5	0	0	0	111.2	G1843 F1847 S1855 S1856 F1857 S1880	G1843-Y1845 PolarHBondContact O-N 3.17Å; Y1845-F1847 PolarHBondContact O-N 2.91Å; Y1845-S1855 WeakPolarHBondContact CD1-O 3.11Å; Y1845-S1855 VanDerWaalsContact CD2-CB 3.43Å; Y1845-S1855 WeakPolarHBondContact CD2-OG 3.42Å; Y1845-S1855 VanDerWaalsContact CG-C 3.48Å; Y1845-S1856 VanDerWaalsContact CD1-CA 3.46Å; Y1845-F1857 HydrophobicContact CD1-CD1 4.48Å; Y1845-F1857 AromaticContact CD1-CD2 3.57Å; Y1845-F1857 HydrophobicContact CD1-CD2 3.57Å; Y1845-F1857 HydrophobicContact CD1-CE1 4.36Å; Y1845-F1857 AromaticContact CD1-CE2 3.42Å; Y1845-F1857 HydrophobicContact CD1-CE2 3.42Å; Y1845-F1857 VanDerWaalsContact CD1-CE2 3.42Å; Y1845-F1857 HydrophobicContact CD1-CG 4.11Å; Y1845-F1857 AromaticContact CD1-CZ 3.84Å; Y1845-F1857 HydrophobicContact CD1-CZ 3.84Å; Y1845-F1857 AromaticContact CE1-CD2 3.86Å; Y1845-F1857 HydrophobicContact CE1-CD2 3.86Å; Y1845-F1857 AromaticContact CE1-CE2 3.43Å; Y1845-F1857 HydrophobicContact CE1-CE2 3.43Å; Y1845-F1857 VanDerWaalsContact CE1-CE2 3.43Å; Y1845-F1857 HydrophobicContact CE1-CZ 4.08Å; Y1845-S1880 PolarHBondContact O-OG 2.88Å
1846	E	62.5	Low	68.2	Low	72 Å²	72	56.8 Å²	56.8	34%	0.336	26%	0.261	S	S	.	.	S	Bend	trans	-55.9	-22.2	-179.7	-165	-167.4	156.1	0	0	112.8	D1844 R1879 S1880	D1844-E1846 PolarHBondContact O-N 2.79Å; D1844-E1846 VanDerWaalsContact O-N 3.13Å; E1846-R1879 HydrophobicContact CG-CG 4.25Å; E1846-R1879 VanDerWaalsContact O-CA 3.32Å; E1846-R1879 WeakPolarHBondContact O-CA 3.41Å; E1846-R1879 WeakPolarHBondContact O-CG 3.37Å; E1846-R1879 IonicContact OE1-CZ 3.09Å; E1846-R1879 IonicContact OE1-NE 2.71Å; E1846-R1879 PolarHBondContact OE1-NE 2.73Å; E1846-R1879 IonicContact OE1-NH2 2.66Å; E1846-R1879 PolarHBondContact OE1-NH2 3.19Å; E1846-S1880 WeakPolarHBondContact CA-OG 3.23Å; E1846-S1880 PolarHBondContact O-N 3.07Å; E1846-S1880 PolarHBondContact O-OG 2.79Å
1847	F	77.5	Confident	68.1	Low	16 Å²	16	55.7 Å²	55.7	7%	0.07	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	124.4	-178.2	-54.1	-81.5	0	0	0	111.5	Y1845 S1855 S1856 Q1859 T1862 V1877 A1878 R1879	Y1845-F1847 PolarHBondContact O-N 2.91Å; F1847-S1855 WeakPolarHBondContact O-CA 3.48Å; F1847-S1856 PolarHBondContact N-O 3.37Å; F1847-S1856 VanDerWaalsContact N-O 3.17Å; F1847-S1856 PolarHBondContact O-N 3.25Å; F1847-Q1859 HydrophobicContact CD1-CB 3.93Å; F1847-Q1859 HydrophobicContact CD1-CG 3.71Å; F1847-Q1859 HydrophobicContact CD2-CB 3.78Å; F1847-Q1859 HydrophobicContact CD2-CG 4.46Å; F1847-Q1859 VanDerWaalsContact CD2-N 3.28Å; F1847-Q1859 HydrophobicContact CE1-CB 3.82Å; F1847-Q1859 HydrophobicContact CE1-CG 3.74Å; F1847-Q1859 HydrophobicContact CE2-CB 3.69Å; F1847-Q1859 HydrophobicContact CE2-CG 4.5Å; F1847-Q1859 HydrophobicContact CG-CB 3.91Å; F1847-Q1859 HydrophobicContact CG-CG 4.09Å; F1847-Q1859 HydrophobicContact CZ-CB 3.72Å; F1847-Q1859 HydrophobicContact CZ-CG 4.16Å; F1847-T1862 HydrophobicContact CB-CG2 4.08Å; F1847-T1862 WeakPolarHBondContact CB-OG1 3.4Å; F1847-T1862 WeakPolarHBondContact O-CG2 3.49Å; F1847-V1877 HydrophobicContact CB-CG1 3.79Å; F1847-V1877 HydrophobicContact CD1-CG1 4.22Å; F1847-V1877 HydrophobicContact CG-CG1 4.46Å; F1847-A1878 WeakPolarHBondContact CA-O 3.43Å; F1847-R1879 HydrophobicContact CD1-CG 4.11Å; F1847-R1879 HydrophobicContact CE1-CG 3.88Å
1848	R	75.3	Confident	68	Low	111 Å²	111	58.6 Å²	58.6	42%	0.419	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.7	174.5	179.7	164.9	169.9	152.8	0.3	111.4	E1853 V1877 A1878	R1848-E1853 IonicContact CZ-OE1 2.62Å; R1848-E1853 IonicContact NH1-OE1 3.64Å; R1848-E1853 IonicContact NH2-OE1 2.9Å; R1848-E1853 PolarHBondContact NH2-OE1 2.93Å; R1848-V1877 WeakPolarHBondContact O-CA 3.41Å; R1848-A1878 PolarHBondContact N-O 3.47Å; R1848-A1878 PolarHBondContact O-N 2.85Å
1849	C	76	Confident	68.5	Low	4 Å²	4	63 Å²	63	3%	0.027	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	136.5	169.8	-179.9	0	0	0	0	110	Y1851 C1852 F1854 H1865 V1866 H1870	C1849-Y1851 VanDerWaalsContact C-N 3.28Å; C1849-Y1851 PolarHBondContact SG-N 2.82Å; C1849-C1852 WeakPolarHBondContact CB-O 3.46Å; C1849-C1852 PolarHBondContact SG-N 2.79Å; C1849-C1852 VanDerWaalsContact SG-N 3.4Å; C1849-F1854 HydrophobicContact CB-CB 4.23Å; C1849-F1854 WeakPolarHBondContact CB-O 3.23Å; C1849-F1854 PolarHBondContact N-O 3.44Å; C1849-H1865 PolarHBondContact SG-NE2 3.48Å; C1849-V1866 HydrophobicContact CB-CG2 4.15Å; C1849-V1866 VanDerWaalsContact SG-CG2 3.57Å; C1849-H1870 PolarHBondContact SG-CD2 3.47Å; C1849-H1870 PolarHBondContact SG-NE2 2.85Å
1850	Y	80.1	Confident	69.3	Low	140 Å²	140	65.6 Å²	65.6	55%	0.549	31%	0.311	S	S	.	.	S	Bend	trans	-77	-16.7	175.1	-166.1	-87.7	0	0	0	113	R1876	Y1850-R1876 VanDerWaalsContact CB-O 3.3Å; Y1850-R1876 WeakPolarHBondContact CB-O 3.42Å; Y1850-R1876 HydrophobicContact CD1-CB 4.25Å; Y1850-R1876 HydrophobicContact CD2-CB 4.28Å; Y1850-R1876 HydrophobicContact CG-CB 3.73Å; Y1850-R1876 PolarHBondContact N-O 3.18Å
1851	Y	74.3	Confident	70.2	Confident	76 Å²	76	63.1 Å²	63.1	30%	0.298	31%	0.305	S	S	.	.	S	Bend	trans	-111.3	-8.3	-168.3	-67.4	-70.4	0	0	0	114.9	C1849 H1870 P1874 R1876	C1849-Y1851 VanDerWaalsContact C-N 3.28Å; C1849-Y1851 PolarHBondContact SG-N 2.82Å; Y1851-H1870 VanDerWaalsContact CB-CE1 3.48Å; Y1851-H1870 WeakPolarHBondContact CB-CE1 3.46Å; Y1851-H1870 WeakPolarHBondContact CB-ND1 3.23Å; Y1851-H1870 HydrophobicContact CD2-CB 4.25Å; Y1851-H1870 HydrophobicContact CG-CB 4.45Å; Y1851-H1870 PolarHBondContact O-CE1 3.37Å; Y1851-P1874 WeakPolarHBondContact OH-CD 3.16Å; Y1851-P1874 WeakPolarHBondContact OH-CG 3.1Å; Y1851-P1874 PolarHBondContact OH-O 3.26Å; Y1851-P1874 VanDerWaalsContact OH-O 3.07Å; Y1851-R1876 HydrophobicContact CE2-CB 4.16Å
1852	C	73.6	Confident	71	Confident	46 Å²	46	61.1 Å²	61.1	31%	0.311	30%	0.296	S	S	.	.	S	Bend	trans	-160.2	-172.1	166.9	76.8	0	0	0	0	109.5	C1849 F1854 H1865 H1870	C1849-C1852 WeakPolarHBondContact CB-O 3.46Å; C1849-C1852 PolarHBondContact SG-N 2.79Å; C1849-C1852 VanDerWaalsContact SG-N 3.4Å; C1852-F1854 VanDerWaalsContact C-N 3.32Å; C1852-F1854 PolarHBondContact O-N 2.59Å; C1852-F1854 PolarHBondContact SG-N 3.13Å; C1852-F1854 VanDerWaalsContact SG-N 3.44Å; C1852-H1865 PolarHBondContact SG-CE1 2.91Å; C1852-H1865 PolarHBondContact SG-NE2 2.67Å; C1852-H1870 PolarHBondContact SG-NE2 3.04Å; C1852-H1870 VanDerWaalsContact SG-NE2 3.35Å
1853	E	67.1	Low	72.1	Confident	136 Å²	136	63.8 Å²	63.8	64%	0.636	31%	0.31	S	S	*	.	S	Bend	trans	-82.5	-6.9	-174.3	-48.7	-139.9	91.8	0	0	114.3	R1848 S1855	R1848-E1853 IonicContact CZ-OE1 2.62Å; R1848-E1853 IonicContact NH1-OE1 3.64Å; R1848-E1853 IonicContact NH2-OE1 2.9Å; R1848-E1853 PolarHBondContact NH2-OE1 2.93Å; E1853-S1855 PolarHBondContact O-N 3.33Å; E1853-S1855 PolarHBondContact O-OG 2.99Å
1854	F	74.8	Confident	74	Confident	77 Å²	77	68.9 Å²	68.9	34%	0.338	32%	0.324	S	S	.	.			trans	-52.7	128.6	176.6	-176.8	-80.3	0	0	0	110.6	C1849 C1852 T1862 H1865	C1849-F1854 HydrophobicContact CB-CB 4.23Å; C1849-F1854 WeakPolarHBondContact CB-O 3.23Å; C1849-F1854 PolarHBondContact N-O 3.44Å; C1852-F1854 VanDerWaalsContact C-N 3.32Å; C1852-F1854 PolarHBondContact O-N 2.59Å; C1852-F1854 PolarHBondContact SG-N 3.13Å; C1852-F1854 VanDerWaalsContact SG-N 3.44Å; F1854-T1862 HydrophobicContact CD1-CG2 3.97Å; F1854-T1862 HydrophobicContact CE1-CG2 4.14Å; F1854-H1865 HydrophobicContact CB-CB 4.49Å; F1854-H1865 HydrophobicContact CD1-CB 3.37Å; F1854-H1865 AromaticContact CD1-CD2 3.8Å; F1854-H1865 AromaticContact CD1-CG 3.38Å; F1854-H1865 HydrophobicContact CD2-CB 4.1Å; F1854-H1865 AromaticContact CD2-CG 3.76Å; F1854-H1865 AromaticContact CD2-ND1 3.57Å; F1854-H1865 HydrophobicContact CE1-CB 3.54Å; F1854-H1865 HydrophobicContact CE2-CB 4.21Å; F1854-H1865 HydrophobicContact CG-CB 3.7Å; F1854-H1865 AromaticContact CG-CD2 3.69Å; F1854-H1865 AromaticContact CG-CG 3.23Å; F1854-H1865 AromaticContact CG-ND1 3.43Å; F1854-H1865 WeakPolarHBondContact CG-ND1 3.23Å; F1854-H1865 HydrophobicContact CZ-CB 3.96Å
1855	S	75.1	Confident	75.8	Confident	23 Å²	23	69.9 Å²	69.9	16%	0.161	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	141.1	-174.9	36.4	0	0	0	0	108.3	Y1845 F1847 E1853	Y1845-S1855 WeakPolarHBondContact CD1-O 3.11Å; Y1845-S1855 VanDerWaalsContact CD2-CB 3.43Å; Y1845-S1855 WeakPolarHBondContact CD2-OG 3.42Å; Y1845-S1855 VanDerWaalsContact CG-C 3.48Å; F1847-S1855 WeakPolarHBondContact O-CA 3.48Å; E1853-S1855 PolarHBondContact O-N 3.33Å; E1853-S1855 PolarHBondContact O-OG 2.99Å
1856	S	76.1	Confident	76.6	Confident	6 Å²	6	66.8 Å²	66.8	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	148.9	-179.9	166.7	0	0	0	0	110.9	Y1845 F1847 V1858 E1861	Y1845-S1856 VanDerWaalsContact CD1-CA 3.46Å; F1847-S1856 PolarHBondContact N-O 3.37Å; F1847-S1856 VanDerWaalsContact N-O 3.17Å; F1847-S1856 PolarHBondContact O-N 3.25Å; S1856-V1858 PolarHBondContact O-N 3.09Å; S1856-V1858 PolarHBondContact OG-N 3.05Å; S1856-V1858 PolarHBondContact OG-O 3.06Å; S1856-E1861 WeakPolarHBondContact OG-CB 3.28Å; S1856-E1861 PolarHBondContact OG-OE2 2.95Å
1857	F	68.1	Low	77.5	Confident	108 Å²	108	67.1 Å²	67.1	47%	0.474	32%	0.323	S	S	.	.	S	Bend	trans	-63.1	-20.8	169.6	-59.1	-78.5	0	0	0	112.7	D1844 Y1845	D1844-F1857 HydrophobicContact CB-CE1 4.39Å; D1844-F1857 VanDerWaalsContact O-CE1 3.27Å; D1844-F1857 WeakPolarHBondContact O-CE1 3.46Å; Y1845-F1857 HydrophobicContact CD1-CD1 4.48Å; Y1845-F1857 AromaticContact CD1-CD2 3.57Å; Y1845-F1857 HydrophobicContact CD1-CD2 3.57Å; Y1845-F1857 HydrophobicContact CD1-CE1 4.36Å; Y1845-F1857 AromaticContact CD1-CE2 3.42Å; Y1845-F1857 HydrophobicContact CD1-CE2 3.42Å; Y1845-F1857 VanDerWaalsContact CD1-CE2 3.42Å; Y1845-F1857 HydrophobicContact CD1-CG 4.11Å; Y1845-F1857 AromaticContact CD1-CZ 3.84Å; Y1845-F1857 HydrophobicContact CD1-CZ 3.84Å; Y1845-F1857 AromaticContact CE1-CD2 3.86Å; Y1845-F1857 HydrophobicContact CE1-CD2 3.86Å; Y1845-F1857 AromaticContact CE1-CE2 3.43Å; Y1845-F1857 HydrophobicContact CE1-CE2 3.43Å; Y1845-F1857 VanDerWaalsContact CE1-CE2 3.43Å; Y1845-F1857 HydrophobicContact CE1-CZ 4.08Å
1858	V	75.9	Confident	77.6	Confident	65 Å²	65	69.3 Å²	69.3	39%	0.394	34%	0.343	S	S	.	.	S	Bend	trans	-108.4	115	-177.9	-162.3	0	0	0	0	109.9	S1856 T1860 E1861 T1862	S1856-V1858 PolarHBondContact O-N 3.09Å; S1856-V1858 PolarHBondContact OG-N 3.05Å; S1856-V1858 PolarHBondContact OG-O 3.06Å; V1858-T1860 VanDerWaalsContact CG1-OG1 3.26Å; V1858-T1860 WeakPolarHBondContact CG1-OG1 3.45Å; V1858-T1860 PolarHBondContact O-N 2.94Å; V1858-E1861 HydrophobicContact CB-CB 4.4Å; V1858-E1861 HydrophobicContact CB-CG 4.28Å; V1858-E1861 WeakPolarHBondContact O-CB 3.39Å; V1858-E1861 PolarHBondContact O-N 3.42Å; V1858-T1862 PolarHBondContact O-N 3.44Å; V1858-T1862 PolarHBondContact O-OG1 3.07Å
1859	Q	79.4	Confident	77.7	Confident	92 Å²	92	66.2 Å²	66.2	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-50.8	-32.2	179.3	-165.3	-179.9	21.4	0	0	113.3	F1847 T1862 L1863	F1847-Q1859 HydrophobicContact CD1-CB 3.93Å; F1847-Q1859 HydrophobicContact CD1-CG 3.71Å; F1847-Q1859 HydrophobicContact CD2-CB 3.78Å; F1847-Q1859 HydrophobicContact CD2-CG 4.46Å; F1847-Q1859 VanDerWaalsContact CD2-N 3.28Å; F1847-Q1859 HydrophobicContact CE1-CB 3.82Å; F1847-Q1859 HydrophobicContact CE1-CG 3.74Å; F1847-Q1859 HydrophobicContact CE2-CB 3.69Å; F1847-Q1859 HydrophobicContact CE2-CG 4.5Å; F1847-Q1859 HydrophobicContact CG-CB 3.91Å; F1847-Q1859 HydrophobicContact CG-CG 4.09Å; F1847-Q1859 HydrophobicContact CZ-CB 3.72Å; F1847-Q1859 HydrophobicContact CZ-CG 4.16Å; Q1859-T1862 PolarHBondContact O-OG1 2.94Å; Q1859-L1863 WeakPolarHBondContact O-CB 3.31Å; Q1859-L1863 PolarHBondContact O-N 2.81Å
1860	T	82.4	Confident	77.8	Confident	88 Å²	88	67.7 Å²	67.7	54%	0.54	35%	0.348	S	S	.	.	H	α-helix	trans	-73.2	-23.9	178.5	53.5	0	0	0	0	113.9	V1858 K1864	V1858-T1860 VanDerWaalsContact CG1-OG1 3.26Å; V1858-T1860 WeakPolarHBondContact CG1-OG1 3.45Å; V1858-T1860 PolarHBondContact O-N 2.94Å; T1860-K1864 WeakPolarHBondContact O-CB 3.22Å; T1860-K1864 WeakPolarHBondContact O-CG 3.38Å; T1860-K1864 PolarHBondContact O-N 3.21Å
1861	E	78.2	Confident	77.1	Confident	81 Å²	81	62.2 Å²	62.2	38%	0.379	33%	0.332	S	S	.	.	H	α-helix	trans	-79.1	-41.9	173.6	-76.8	161.2	-158.9	0	0	111	S1856 V1858 L1863 K1864 H1865	S1856-E1861 WeakPolarHBondContact OG-CB 3.28Å; S1856-E1861 PolarHBondContact OG-OE2 2.95Å; V1858-E1861 HydrophobicContact CB-CB 4.4Å; V1858-E1861 HydrophobicContact CB-CG 4.28Å; V1858-E1861 WeakPolarHBondContact O-CB 3.39Å; V1858-E1861 PolarHBondContact O-N 3.42Å; E1861-L1863 VanDerWaalsContact C-N 3.27Å; E1861-L1863 PolarHBondContact O-N 2.9Å; E1861-K1864 WeakPolarHBondContact O-CB 3.36Å; E1861-K1864 PolarHBondContact O-N 3.34Å; E1861-H1865 WeakPolarHBondContact O-CB 3.37Å; E1861-H1865 PolarHBondContact O-N 3.25Å
1862	T	80.3	Confident	76.8	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.5	-38.4	167.8	5	0	0	0	0	111.6	F1847 F1854 V1858 Q1859 V1866 V1877	F1847-T1862 HydrophobicContact CB-CG2 4.08Å; F1847-T1862 WeakPolarHBondContact CB-OG1 3.4Å; F1847-T1862 WeakPolarHBondContact O-CG2 3.49Å; F1854-T1862 HydrophobicContact CD1-CG2 3.97Å; F1854-T1862 HydrophobicContact CE1-CG2 4.14Å; V1858-T1862 PolarHBondContact O-N 3.44Å; V1858-T1862 PolarHBondContact O-OG1 3.07Å; Q1859-T1862 PolarHBondContact O-OG1 2.94Å; T1862-V1866 WeakPolarHBondContact O-CB 3.35Å; T1862-V1866 VanDerWaalsContact O-CG2 3.25Å; T1862-V1866 WeakPolarHBondContact O-CG2 3.45Å; T1862-V1866 PolarHBondContact O-N 2.73Å; T1862-V1877 HydrophobicContact CG2-CG1 4.2Å
1863	L	84.9	Confident	76.1	Confident	78 Å²	78	62.1 Å²	62.1	41%	0.408	35%	0.353	S	S	.	.	H	α-helix	trans	-67	-45.6	173.9	-132.8	77.9	0	0	0	112	Q1859 E1861 H1865 V1866 T1867 V1875 V1877	Q1859-L1863 WeakPolarHBondContact O-CB 3.31Å; Q1859-L1863 PolarHBondContact O-N 2.81Å; E1861-L1863 VanDerWaalsContact C-N 3.27Å; E1861-L1863 PolarHBondContact O-N 2.9Å; L1863-H1865 VanDerWaalsContact C-N 3.33Å; L1863-H1865 PolarHBondContact O-N 2.76Å; L1863-V1866 PolarHBondContact O-N 3.14Å; L1863-T1867 WeakPolarHBondContact O-CG2 3.4Å; L1863-T1867 PolarHBondContact O-N 2.94Å; L1863-T1867 PolarHBondContact O-OG1 3.31Å; L1863-V1875 HydrophobicContact CD1-CG1 4.08Å; L1863-V1875 HydrophobicContact CG-CG1 4.5Å; L1863-V1877 HydrophobicContact CD1-CG2 4.05Å
1864	K	82.2	Confident	75.4	Confident	137 Å²	137	60.2 Å²	60.2	60%	0.596	35%	0.352	S	S	*	.	H	α-helix	trans	-53.4	-51.6	173.7	-82.4	169	178.4	-178.4	0	110.2	T1860 E1861 T1867 A1868	T1860-K1864 WeakPolarHBondContact O-CB 3.22Å; T1860-K1864 WeakPolarHBondContact O-CG 3.38Å; T1860-K1864 PolarHBondContact O-N 3.21Å; E1861-K1864 WeakPolarHBondContact O-CB 3.36Å; E1861-K1864 PolarHBondContact O-N 3.34Å; K1864-T1867 WeakPolarHBondContact CA-OG1 3.32Å; K1864-T1867 CarbonylContact O-C 3.54Å; K1864-T1867 PolarHBondContact O-N 3.24Å; K1864-T1867 PolarHBondContact O-OG1 3.43Å; K1864-A1868 VanDerWaalsContact O-CB 3.29Å; K1864-A1868 WeakPolarHBondContact O-CB 3.13Å; K1864-A1868 PolarHBondContact O-N 3.33Å
1865	H	84.4	Confident	75.1	Confident	46 Å²	46	60.4 Å²	60.4	21%	0.213	36%	0.359	C	S	.	.	H	α-helix	trans	-54.6	-55.3	175.6	171.5	74.7	0	0	0	111.7	C1849 C1852 F1854 E1861 L1863 T1867 A1868 A1869 H1870	C1849-H1865 PolarHBondContact SG-NE2 3.48Å; C1852-H1865 PolarHBondContact SG-CE1 2.91Å; C1852-H1865 PolarHBondContact SG-NE2 2.67Å; F1854-H1865 HydrophobicContact CB-CB 4.49Å; F1854-H1865 HydrophobicContact CD1-CB 3.37Å; F1854-H1865 AromaticContact CD1-CD2 3.8Å; F1854-H1865 AromaticContact CD1-CG 3.38Å; F1854-H1865 HydrophobicContact CD2-CB 4.1Å; F1854-H1865 AromaticContact CD2-CG 3.76Å; F1854-H1865 AromaticContact CD2-ND1 3.57Å; F1854-H1865 HydrophobicContact CE1-CB 3.54Å; F1854-H1865 HydrophobicContact CE2-CB 4.21Å; F1854-H1865 HydrophobicContact CG-CB 3.7Å; F1854-H1865 AromaticContact CG-CD2 3.69Å; F1854-H1865 AromaticContact CG-CG 3.23Å; F1854-H1865 AromaticContact CG-ND1 3.43Å; F1854-H1865 WeakPolarHBondContact CG-ND1 3.23Å; F1854-H1865 HydrophobicContact CZ-CB 3.96Å; E1861-H1865 WeakPolarHBondContact O-CB 3.37Å; E1861-H1865 PolarHBondContact O-N 3.25Å; L1863-H1865 VanDerWaalsContact C-N 3.33Å; L1863-H1865 PolarHBondContact O-N 2.76Å; H1865-T1867 PolarHBondContact O-N 2.75Å; H1865-A1868 PolarHBondContact O-N 3.11Å; H1865-A1869 WeakPolarHBondContact CE1-CB 3.35Å; H1865-A1869 WeakPolarHBondContact O-CB 3.47Å; H1865-A1869 PolarHBondContact O-N 2.92Å; H1865-H1870 AromaticContact CD2-CD2 3.97Å; H1865-H1870 AromaticContact NE2-CD2 2.73Å; H1865-H1870 PolarHBondContact NE2-CD2 3.34Å; H1865-H1870 AromaticContact NE2-CE1 3.37Å; H1865-H1870 PolarHBondContact NE2-CE1 3.1Å; H1865-H1870 AromaticContact NE2-CG 3.99Å; H1865-H1870 AromaticContact NE2-NE2 2.16Å; H1865-H1870 PolarHBondContact NE2-NE2 3Å
1866	V	81.2	Confident	74.6	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-60	-36.4	-178.5	177.4	0	0	0	0	111.3	C1849 T1862 L1863 H1870 V1875 V1877	C1849-V1866 HydrophobicContact CB-CG2 4.15Å; C1849-V1866 VanDerWaalsContact SG-CG2 3.57Å; T1862-V1866 WeakPolarHBondContact O-CB 3.35Å; T1862-V1866 VanDerWaalsContact O-CG2 3.25Å; T1862-V1866 WeakPolarHBondContact O-CG2 3.45Å; T1862-V1866 PolarHBondContact O-N 2.73Å; L1863-V1866 PolarHBondContact O-N 3.14Å; V1866-H1870 HydrophobicContact CG1-CB 4.37Å; V1866-H1870 CarbonylContact O-C 3.43Å; V1866-H1870 WeakPolarHBondContact O-CA 3.48Å; V1866-H1870 WeakPolarHBondContact O-CB 3.27Å; V1866-H1870 PolarHBondContact O-N 3.34Å; V1866-H1870 VanDerWaalsContact O-N 3.12Å; V1866-V1875 HydrophobicContact CB-CG1 4.36Å; V1866-V1875 HydrophobicContact CG1-CB 4.07Å; V1866-V1875 HydrophobicContact CG1-CG1 3.74Å; V1866-V1875 HydrophobicContact CG1-CG2 4.11Å; V1866-V1877 HydrophobicContact CG2-CG2 3.86Å
1867	T	81.3	Confident	74.3	Confident	80 Å²	80	67.3 Å²	67.3	49%	0.491	39%	0.385	S	S	.	.	H	α-helix	trans	-77.4	-17.3	175.7	56.4	0	0	0	0	115.2	L1863 K1864 H1865 V1875	L1863-T1867 WeakPolarHBondContact O-CG2 3.4Å; L1863-T1867 PolarHBondContact O-N 2.94Å; L1863-T1867 PolarHBondContact O-OG1 3.31Å; K1864-T1867 WeakPolarHBondContact CA-OG1 3.32Å; K1864-T1867 CarbonylContact O-C 3.54Å; K1864-T1867 PolarHBondContact O-N 3.24Å; K1864-T1867 PolarHBondContact O-OG1 3.43Å; H1865-T1867 PolarHBondContact O-N 2.75Å; T1867-V1875 HydrophobicContact CG2-CG2 4.36Å
1868	A	79.4	Confident	73.9	Confident	61 Å²	61	64.5 Å²	64.5	50%	0.504	38%	0.382	S	S	.	.	H	α-helix	trans	-97.1	-42.8	179.7	0	0	0	0	0	112.9	M1 K1864 H1865	M1-A1868 PolarHBondContact N-O 2.88Å; K1864-A1868 VanDerWaalsContact O-CB 3.29Å; K1864-A1868 WeakPolarHBondContact O-CB 3.13Å; K1864-A1868 PolarHBondContact O-N 3.33Å; H1865-A1868 PolarHBondContact O-N 3.11Å
1869	A	77.3	Confident	73.1	Confident	46 Å²	46	69.4 Å²	69.4	38%	0.38	39%	0.393	S	S	.	.	H	α-helix	trans	-96.3	-27.7	-174.6	0	0	0	0	0	113.9	H1865	H1865-A1869 WeakPolarHBondContact CE1-CB 3.35Å; H1865-A1869 WeakPolarHBondContact O-CB 3.47Å; H1865-A1869 PolarHBondContact O-N 2.92Å
1870	H	78.5	Confident	71.7	Confident	36 Å²	36	67.6 Å²	67.6	17%	0.167	39%	0.391	C	S	.	.	S	Bend	trans	-117.9	28.7	-179.1	-53.2	-65.8	0	0	0	112.3	C1849 Y1851 C1852 H1865 V1866 G1872 S1873	C1849-H1870 PolarHBondContact SG-CD2 3.47Å; C1849-H1870 PolarHBondContact SG-NE2 2.85Å; Y1851-H1870 VanDerWaalsContact CB-CE1 3.48Å; Y1851-H1870 WeakPolarHBondContact CB-CE1 3.46Å; Y1851-H1870 WeakPolarHBondContact CB-ND1 3.23Å; Y1851-H1870 HydrophobicContact CD2-CB 4.25Å; Y1851-H1870 HydrophobicContact CG-CB 4.45Å; Y1851-H1870 PolarHBondContact O-CE1 3.37Å; C1852-H1870 PolarHBondContact SG-NE2 3.04Å; C1852-H1870 VanDerWaalsContact SG-NE2 3.35Å; H1865-H1870 AromaticContact CD2-CD2 3.97Å; H1865-H1870 AromaticContact NE2-CD2 2.73Å; H1865-H1870 PolarHBondContact NE2-CD2 3.34Å; H1865-H1870 AromaticContact NE2-CE1 3.37Å; H1865-H1870 PolarHBondContact NE2-CE1 3.1Å; H1865-H1870 AromaticContact NE2-CG 3.99Å; H1865-H1870 AromaticContact NE2-NE2 2.16Å; H1865-H1870 PolarHBondContact NE2-NE2 3Å; V1866-H1870 HydrophobicContact CG1-CB 4.37Å; V1866-H1870 CarbonylContact O-C 3.43Å; V1866-H1870 WeakPolarHBondContact O-CA 3.48Å; V1866-H1870 WeakPolarHBondContact O-CB 3.27Å; V1866-H1870 PolarHBondContact O-N 3.34Å; V1866-H1870 VanDerWaalsContact O-N 3.12Å; H1870-G1872 PolarHBondContact O-N 2.63Å; H1870-S1873 PolarHBondContact O-N 2.86Å
1871	A	65.7	Low	69.6	Low	25 Å²	25	68.9 Å²	68.9	21%	0.207	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	121.3	176.6	0	0	0	0	0	110.8	P3	P3-A1871 WeakPolarHBondContact O-CB 3.45Å
1872	G	66.6	Low	67.6	Low	64 Å²	64	69.3 Å²	69.3	66%	0.66	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.2	-17.3	-173.8	0	0	0	0	0	114.3	H1870	H1870-G1872 PolarHBondContact O-N 2.63Å
1873	S	59.2	Low	65.7	Low	56 Å²	56	71 Å²	71	39%	0.392	43%	0.426	S	S	.	.	S	Bend	trans	-97.8	149.6	171	-72.8	0	0	0	0	112.2	H1870 V1875	H1870-S1873 PolarHBondContact O-N 2.86Å; S1873-V1875 PolarHBondContact O-N 2.79Å
1874	P	53.1	Low	63.8	Low	96 Å²	96	70.8 Å²	70.8	62%	0.623	43%	0.427	S	S	*	.			trans	-70.1	103.6	-176	26.1	-32.6	0	0	0	111.8	Y1851 R1876	Y1851-P1874 WeakPolarHBondContact OH-CD 3.16Å; Y1851-P1874 WeakPolarHBondContact OH-CG 3.1Å; Y1851-P1874 PolarHBondContact OH-O 3.26Å; Y1851-P1874 VanDerWaalsContact OH-O 3.07Å; P1874-R1876 PolarHBondContact O-N 2.71Å; P1874-R1876 VanDerWaalsContact O-N 3.08Å
1875	V	67.4	Low	62.2	Low	80 Å²	80	67.9 Å²	67.9	49%	0.485	42%	0.415	S	S	.	.			trans	-37.4	108.2	-175.8	-179.4	0	0	0	0	113.2	L1863 V1866 T1867 S1873	L1863-V1875 HydrophobicContact CD1-CG1 4.08Å; L1863-V1875 HydrophobicContact CG-CG1 4.5Å; V1866-V1875 HydrophobicContact CB-CG1 4.36Å; V1866-V1875 HydrophobicContact CG1-CB 4.07Å; V1866-V1875 HydrophobicContact CG1-CG1 3.74Å; V1866-V1875 HydrophobicContact CG1-CG2 4.11Å; T1867-V1875 HydrophobicContact CG2-CG2 4.36Å; S1873-V1875 PolarHBondContact O-N 2.79Å
1876	R	65.2	Low	60.5	Low	135 Å²	135	70.6 Å²	70.6	51%	0.509	43%	0.428	S	S	.	.			trans	-123	128.9	171.6	-75.2	179.5	-176.3	-164.3	2.3	109.9	Y1850 Y1851 P1874	Y1850-R1876 VanDerWaalsContact CB-O 3.3Å; Y1850-R1876 WeakPolarHBondContact CB-O 3.42Å; Y1850-R1876 HydrophobicContact CD1-CB 4.25Å; Y1850-R1876 HydrophobicContact CD2-CB 4.28Å; Y1850-R1876 HydrophobicContact CG-CB 3.73Å; Y1850-R1876 PolarHBondContact N-O 3.18Å; Y1851-R1876 HydrophobicContact CE2-CB 4.16Å; P1874-R1876 PolarHBondContact O-N 2.71Å; P1874-R1876 VanDerWaalsContact O-N 3.08Å
1877	V	69.7	Low	59	Low	40 Å²	40	72.7 Å²	72.7	24%	0.242	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.7	170.5	172	0	0	0	0	106.6	F1847 R1848 T1862 L1863 V1866	F1847-V1877 HydrophobicContact CB-CG1 3.79Å; F1847-V1877 HydrophobicContact CD1-CG1 4.22Å; F1847-V1877 HydrophobicContact CG-CG1 4.46Å; R1848-V1877 WeakPolarHBondContact O-CA 3.41Å; T1862-V1877 HydrophobicContact CG2-CG1 4.2Å; L1863-V1877 HydrophobicContact CD1-CG2 4.05Å; V1866-V1877 HydrophobicContact CG2-CG2 3.86Å
1878	A	60.6	Low	57.9	Low	48 Å²	48	70.1 Å²	70.1	40%	0.397	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	148.2	173.5	0	0	0	0	0	109.6	F1847 R1848	F1847-A1878 WeakPolarHBondContact CA-O 3.43Å; R1848-A1878 PolarHBondContact N-O 3.47Å; R1848-A1878 PolarHBondContact O-N 2.85Å
1879	R	57.3	Low	57.1	Low	168 Å²	168	68.1 Å²	68.1	63%	0.634	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.2	172.2	-157.7	-176.2	-165.6	-175.8	-1.2	108.1	E1846 F1847	E1846-R1879 HydrophobicContact CG-CG 4.25Å; E1846-R1879 VanDerWaalsContact O-CA 3.32Å; E1846-R1879 WeakPolarHBondContact O-CA 3.41Å; E1846-R1879 WeakPolarHBondContact O-CG 3.37Å; E1846-R1879 IonicContact OE1-CZ 3.09Å; E1846-R1879 IonicContact OE1-NE 2.71Å; E1846-R1879 PolarHBondContact OE1-NE 2.73Å; E1846-R1879 IonicContact OE1-NH2 2.66Å; E1846-R1879 PolarHBondContact OE1-NH2 3.19Å; F1847-R1879 HydrophobicContact CD1-CG 4.11Å; F1847-R1879 HydrophobicContact CE1-CG 3.88Å
1880	S	51.2	Low	56.2	Low	55 Å²	55	67.1 Å²	67.1	39%	0.385	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-68.2	132.3	176	38.2	0	0	0	0	109.6	Y1845 E1846	Y1845-S1880 PolarHBondContact O-OG 2.88Å; E1846-S1880 WeakPolarHBondContact CA-OG 3.23Å; E1846-S1880 PolarHBondContact O-N 3.07Å; E1846-S1880 PolarHBondContact O-OG 2.79Å
1881	S	37	Very low	55.9	Low	114 Å²	114	66.6 Å²	66.6	80%	0.797	40%	0.396	S	S	*	.			trans	-112.2	65.8	-175.2	63.5	0	0	0	0	111.3
1882	L	37.5	Very low	56	Low	90 Å²	90	68.4 Å²	68.4	47%	0.471	40%	0.4	S	S	.	.			trans	-120.3	127.4	171.1	-67.6	173	0	0	0	108.8	Q1886 I1887	L1882-Q1886 HydrophobicContact CB-CB 4.29Å; L1882-Q1886 HydrophobicContact CD2-CB 4.18Å; L1882-I1887 HydrophobicContact CB-CG1 4.4Å
1883	G	39.7	Very low	56.1	Low	37 Å²	37	70.2 Å²	70.2	38%	0.381	39%	0.387	S	S	.	.			trans	-73.9	164	177.1	0	0	0	0	0	111.6	K1885 Q1886 I1887	G1883-K1885 VanDerWaalsContact C-N 3.32Å; G1883-K1885 PolarHBondContact O-N 3.39Å; G1883-Q1886 CarbonylContact O-C 2.95Å; G1883-Q1886 WeakPolarHBondContact O-CA 3.37Å; G1883-Q1886 WeakPolarHBondContact O-CB 3.28Å; G1883-Q1886 PolarHBondContact O-N 2.79Å; G1883-I1887 PolarHBondContact O-N 2.9Å
1884	T	46.1	Very low	56.3	Low	72 Å²	72	68.6 Å²	68.6	44%	0.442	37%	0.373	S	S	.	.	H	α-helix	trans	-54.3	-44.3	179.9	47.2	0	0	0	0	112.5	S1026 S1027 T1028 Q1886 I1887 S1888	S1026-T1884 CarbonylContact O-C 3.38Å; S1026-T1884 WeakPolarHBondContact O-CB 3.46Å; S1027-T1884 CarbonylContact O-C 3.54Å; S1027-T1884 VanDerWaalsContact O-CB 3.27Å; S1027-T1884 WeakPolarHBondContact O-CB 3.44Å; S1027-T1884 PolarHBondContact O-OG1 3.48Å; T1028-T1884 PolarHBondContact O-OG1 2.84Å; T1884-Q1886 PolarHBondContact O-N 3.1Å; T1884-I1887 CarbonylContact O-C 3.51Å; T1884-I1887 VanDerWaalsContact O-C 3.28Å; T1884-I1887 WeakPolarHBondContact O-CA 3.48Å; T1884-I1887 WeakPolarHBondContact O-CB 3.49Å; T1884-I1887 PolarHBondContact O-N 2.8Å; T1884-S1888 WeakPolarHBondContact O-CB 3.28Å; T1884-S1888 PolarHBondContact O-N 3.46Å
1885	K	48.3	Very low	57.2	Low	76 Å²	76	65.2 Å²	65.2	33%	0.33	35%	0.352	S	S	.	.	H	α-helix	trans	-68	-2.6	173.2	-84.3	-143	-168.7	118.8	0	116.4	S1027 S1029 P1030 G1883 S1888 A1889	S1027-K1885 WeakPolarHBondContact O-CG 3.28Å; S1027-K1885 PolarHBondContact O-N 2.88Å; S1029-K1885 WeakPolarHBondContact O-CD 3.32Å; S1029-K1885 WeakPolarHBondContact O-CE 3.34Å; S1029-K1885 WeakPolarHBondContact O-CG 3.36Å; S1029-K1885 PolarHBondContact O-NZ 2.82Å; P1030-K1885 PolarHBondContact O-NZ 3.39Å; G1883-K1885 VanDerWaalsContact C-N 3.32Å; G1883-K1885 PolarHBondContact O-N 3.39Å; K1885-S1888 CarbonylContact O-C 3.58Å; K1885-A1889 PolarHBondContact O-N 2.94Å
1886	Q	47.3	Very low	57	Low	103 Å²	103	65.8 Å²	65.8	48%	0.481	35%	0.35	S	S	.	.	H	α-helix	trans	-108.1	-27.6	172	-62.4	167	-41.6	0	0	112.2	L1882 G1883 T1884 S1888 A1889 A1890	L1882-Q1886 HydrophobicContact CB-CB 4.29Å; L1882-Q1886 HydrophobicContact CD2-CB 4.18Å; G1883-Q1886 CarbonylContact O-C 2.95Å; G1883-Q1886 WeakPolarHBondContact O-CA 3.37Å; G1883-Q1886 WeakPolarHBondContact O-CB 3.28Å; G1883-Q1886 PolarHBondContact O-N 2.79Å; T1884-Q1886 PolarHBondContact O-N 3.1Å; Q1886-S1888 PolarHBondContact O-N 3.5Å; Q1886-A1889 CarbonylContact O-C 3.54Å; Q1886-A1889 VanDerWaalsContact O-CA 3.32Å; Q1886-A1889 WeakPolarHBondContact O-CA 3.41Å; Q1886-A1889 PolarHBondContact O-N 3.18Å; Q1886-A1890 PolarHBondContact O-N 3.09Å
1887	I	49.8	Very low	56.8	Low	45 Å²	45	64.7 Å²	64.7	23%	0.231	35%	0.35	C	S	.	.	H	α-helix	trans	-62.2	-15.9	150.8	-62.5	167.5	0	0	0	110.4	V1024 R1025 D1844 L1882 G1883 T1884	V1024-I1887 WeakPolarHBondContact CG1-O 3.39Å; R1025-I1887 CarbonylContact O-C 3.51Å; D1844-I1887 VanDerWaalsContact OD2-CG2 3.26Å; D1844-I1887 WeakPolarHBondContact OD2-CG2 3.26Å; L1882-I1887 HydrophobicContact CB-CG1 4.4Å; G1883-I1887 PolarHBondContact O-N 2.9Å; T1884-I1887 CarbonylContact O-C 3.51Å; T1884-I1887 VanDerWaalsContact O-C 3.28Å; T1884-I1887 WeakPolarHBondContact O-CA 3.48Å; T1884-I1887 WeakPolarHBondContact O-CB 3.49Å; T1884-I1887 PolarHBondContact O-N 2.8Å
1888	S	59.6	Low	56.7	Low	26 Å²	26	62.9 Å²	62.9	18%	0.182	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	23.7	160.4	-159.7	0	0	0	0	113.6	G1023 V1024 R1025 S1026 T1884 K1885 Q1886	G1023-S1888 CarbonylContact C-O 3.43Å; V1024-S1888 VanDerWaalsContact CG1-CA 3.46Å; R1025-S1888 PolarHBondContact N-OG 3.27Å; R1025-S1888 WeakPolarHBondContact O-CA 3.38Å; R1025-S1888 WeakPolarHBondContact O-CB 3.37Å; R1025-S1888 PolarHBondContact O-N 3.21Å; R1025-S1888 PolarHBondContact O-OG 3.14Å; S1026-S1888 PolarHBondContact N-OG 2.94Å; T1884-S1888 WeakPolarHBondContact O-CB 3.28Å; T1884-S1888 PolarHBondContact O-N 3.46Å; K1885-S1888 CarbonylContact O-C 3.58Å; Q1886-S1888 PolarHBondContact O-N 3.5Å
1889	A	62.4	Low	57.4	Low	19 Å²	19	61.8 Å²	61.8	16%	0.157	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	-1.5	163.8	0	0	0	0	0	117.7	V1024 K1885 Q1886 R1893	V1024-A1889 VanDerWaalsContact CB-CA 3.47Å; V1024-A1889 VanDerWaalsContact CB-N 3.28Å; K1885-A1889 PolarHBondContact O-N 2.94Å; Q1886-A1889 CarbonylContact O-C 3.54Å; Q1886-A1889 VanDerWaalsContact O-CA 3.32Å; Q1886-A1889 WeakPolarHBondContact O-CA 3.41Å; Q1886-A1889 PolarHBondContact O-N 3.18Å; A1889-R1893 WeakPolarHBondContact O-CD 3.23Å; A1889-R1893 VanDerWaalsContact O-CG 3.28Å; A1889-R1893 WeakPolarHBondContact O-CG 3.36Å; A1889-R1893 PolarHBondContact O-NE 2.84Å; A1889-R1893 VanDerWaalsContact O-NE 3.09Å; A1889-R1893 PolarHBondContact O-NH1 2.9Å
1890	A	57.9	Low	57.5	Low	25 Å²	25	57 Å²	57	21%	0.207	32%	0.316	C	S	.	.	S	Bend	trans	-104.5	-52.9	164.7	0	0	0	0	0	121.1	V1024 L1842 Q1886 E1892 R1893 L1894	V1024-A1890 VanDerWaalsContact CG1-C 3.48Å; V1024-A1890 VanDerWaalsContact CG2-C 3.43Å; L1842-A1890 HydrophobicContact CD2-CB 3.4Å; Q1886-A1890 PolarHBondContact O-N 3.09Å; A1890-E1892 PolarHBondContact O-N 3.41Å; A1890-R1893 WeakPolarHBondContact O-CB 3.24Å; A1890-R1893 PolarHBondContact O-N 3.46Å; A1890-L1894 HydrophobicContact CB-CD1 4.48Å; A1890-L1894 WeakPolarHBondContact O-CB 3.3Å; A1890-L1894 VanDerWaalsContact O-CG 3.31Å; A1890-L1894 WeakPolarHBondContact O-CG 3.39Å; A1890-L1894 PolarHBondContact O-N 3.34Å
1891	Y	71.4	Confident	56.8	Low	25 Å²	25	64.6 Å²	64.6	10%	0.098	34%	0.342	C	S	.	.	H	α-helix	trans	-38.8	-45.1	176	-132.7	-50.7	0	0	0	119	V1024 R1025 T1835 L1838 T1839 L1842 L1894 S1895	V1024-Y1891 WeakPolarHBondContact O-CB 3.38Å; R1025-Y1891 VanDerWaalsContact CZ-CD1 3.48Å; R1025-Y1891 VanDerWaalsContact CZ-CE1 3.42Å; T1835-Y1891 HydrophobicContact CG2-CE1 4.42Å; T1835-Y1891 WeakPolarHBondContact CG2-OH 3.31Å; T1835-Y1891 PolarHBondContact O-OH 3.22Å; L1838-Y1891 HydrophobicContact CB-CD1 3.52Å; L1838-Y1891 HydrophobicContact CB-CE1 3.48Å; L1838-Y1891 VanDerWaalsContact CB-CE1 3.48Å; L1838-Y1891 HydrophobicContact CD1-CD1 4.12Å; L1838-Y1891 HydrophobicContact CD1-CE1 4.39Å; L1838-Y1891 HydrophobicContact CG-CD1 4.43Å; T1839-Y1891 HydrophobicContact CG2-CE2 4.07Å; T1839-Y1891 WeakPolarHBondContact CG2-OH 3.42Å; L1842-Y1891 HydrophobicContact CD1-CD1 3.9Å; L1842-Y1891 HydrophobicContact CD1-CD2 3.12Å; L1842-Y1891 HydrophobicContact CD1-CE1 4.35Å; L1842-Y1891 HydrophobicContact CD1-CE2 3.63Å; L1842-Y1891 HydrophobicContact CD1-CG 3.21Å; L1842-Y1891 HydrophobicContact CG-CG 4.33Å; Y1891-L1894 CarbonylContact O-C 3.59Å; Y1891-L1894 WeakPolarHBondContact O-CB 3.25Å; Y1891-S1895 PolarHBondContact O-N 2.81Å
1892	E	69.3	Low	56.7	Low	63 Å²	63	62.1 Å²	62.1	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-97.6	-19.6	179.3	-173.2	-162.8	129.2	0	0	113.3	V1022 V1024 A1890 L1894 S1895 Q1896	V1022-E1892 HydrophobicContact CG1-CB 3.86Å; V1022-E1892 HydrophobicContact CG1-CG 3.6Å; V1022-E1892 WeakPolarHBondContact CG1-OE1 3.42Å; V1024-E1892 WeakPolarHBondContact CA-OE2 3.44Å; V1024-E1892 HydrophobicContact CB-CB 4.03Å; V1024-E1892 HydrophobicContact CG2-CB 3.68Å; V1024-E1892 PolarHBondContact N-OE2 2.86Å; A1890-E1892 PolarHBondContact O-N 3.41Å; E1892-L1894 VanDerWaalsContact C-N 3.25Å; E1892-S1895 VanDerWaalsContact CA-OG 3.24Å; E1892-S1895 WeakPolarHBondContact CA-OG 3.38Å; E1892-S1895 WeakPolarHBondContact CG-OG 3.44Å; E1892-S1895 PolarHBondContact O-N 3.02Å; E1892-S1895 PolarHBondContact O-OG 2.87Å; E1892-S1895 VanDerWaalsContact O-OG 3.09Å; E1892-Q1896 WeakPolarHBondContact O-CB 3.48Å; E1892-Q1896 VanDerWaalsContact O-CG 3.29Å; E1892-Q1896 WeakPolarHBondContact O-CG 3.38Å; E1892-Q1896 PolarHBondContact O-N 3.1Å
1893	R	68.1	Low	55.9	Low	102 Å²	102	62.9 Å²	62.9	39%	0.385	35%	0.348	S	S	.	.	H	α-helix	trans	-57.2	-49.8	154.1	-77.9	-170.8	-173	138.7	-2.1	107.8	I1021 V1022 V1024 A1889 A1890 Q1896 Q1897	I1021-R1893 HydrophobicContact CG2-CG 3.86Å; I1021-R1893 VanDerWaalsContact O-CZ 3.27Å; I1021-R1893 PolarHBondContact O-NE 3.4Å; I1021-R1893 PolarHBondContact O-NH2 2.89Å; V1022-R1893 HydrophobicContact CB-CG 3.8Å; V1022-R1893 HydrophobicContact CG2-CB 4.22Å; V1022-R1893 HydrophobicContact CG2-CG 3.52Å; V1024-R1893 HydrophobicContact CG2-CB 4.27Å; V1024-R1893 HydrophobicContact CG2-CG 4.23Å; A1889-R1893 WeakPolarHBondContact O-CD 3.23Å; A1889-R1893 VanDerWaalsContact O-CG 3.28Å; A1889-R1893 WeakPolarHBondContact O-CG 3.36Å; A1889-R1893 PolarHBondContact O-NE 2.84Å; A1889-R1893 VanDerWaalsContact O-NE 3.09Å; A1889-R1893 PolarHBondContact O-NH1 2.9Å; A1890-R1893 WeakPolarHBondContact O-CB 3.24Å; A1890-R1893 PolarHBondContact O-N 3.46Å; R1893-Q1896 CarbonylContact O-C 3.11Å; R1893-Q1896 PolarHBondContact O-N 3.41Å; R1893-Q1896 VanDerWaalsContact O-N 3.1Å; R1893-Q1897 WeakPolarHBondContact O-CB 3.45Å; R1893-Q1897 VanDerWaalsContact O-CG 3.28Å; R1893-Q1897 WeakPolarHBondContact O-CG 3.34Å; R1893-Q1897 PolarHBondContact O-N 2.79Å
1894	L	64.3	Low	55	Low	21 Å²	21	68.6 Å²	68.6	11%	0.11	37%	0.37	C	S	.	.	H	α-helix	trans	-61.5	-42.3	172.5	-71.2	165.4	0	0	0	110.5	I1822 L1838 H1841 L1842 A1890 Y1891 E1892 Q1896 Q1897 C1898	I1822-L1894 HydrophobicContact CD1-CD2 3.5Å; L1838-L1894 HydrophobicContact CD2-CB 3.87Å; H1841-L1894 HydrophobicContact CB-CD1 3.84Å; H1841-L1894 HydrophobicContact CB-CD2 3.94Å; H1841-L1894 HydrophobicContact CB-CG 4.35Å; L1842-L1894 HydrophobicContact CB-CD1 4.36Å; L1842-L1894 HydrophobicContact CD2-CD1 4.06Å; L1842-L1894 HydrophobicContact CG-CD1 3.77Å; A1890-L1894 HydrophobicContact CB-CD1 4.48Å; A1890-L1894 WeakPolarHBondContact O-CB 3.3Å; A1890-L1894 VanDerWaalsContact O-CG 3.31Å; A1890-L1894 WeakPolarHBondContact O-CG 3.39Å; A1890-L1894 PolarHBondContact O-N 3.34Å; Y1891-L1894 CarbonylContact O-C 3.59Å; Y1891-L1894 WeakPolarHBondContact O-CB 3.25Å; E1892-L1894 VanDerWaalsContact C-N 3.25Å; L1894-Q1896 VanDerWaalsContact C-N 3.25Å; L1894-Q1896 PolarHBondContact O-N 3.47Å; L1894-Q1897 CarbonylContact O-C 3.12Å; L1894-Q1897 PolarHBondContact O-N 3.04Å; L1894-Q1897 VanDerWaalsContact O-N 3.09Å; L1894-C1898 WeakPolarHBondContact O-CB 3.38Å; L1894-C1898 PolarHBondContact O-N 3.22Å; L1894-C1898 PolarHBondContact O-SG 3.48Å
1895	S	71.5	Confident	53.9	Low	26 Å²	26	69.9 Å²	69.9	18%	0.182	38%	0.378	C	S	.	.	H	α-helix	trans	-63.1	-29.3	173.4	80.4	0	0	0	0	114	Y1891 E1892 F1899	Y1891-S1895 PolarHBondContact O-N 2.81Å; E1892-S1895 VanDerWaalsContact CA-OG 3.24Å; E1892-S1895 WeakPolarHBondContact CA-OG 3.38Å; E1892-S1895 WeakPolarHBondContact CG-OG 3.44Å; E1892-S1895 PolarHBondContact O-N 3.02Å; E1892-S1895 PolarHBondContact O-OG 2.87Å; E1892-S1895 VanDerWaalsContact O-OG 3.09Å; S1895-F1899 CarbonylContact O-C 3.54Å; S1895-F1899 VanDerWaalsContact O-CA 3.31Å; S1895-F1899 WeakPolarHBondContact O-CA 3.43Å; S1895-F1899 VanDerWaalsContact O-CB 3.26Å; S1895-F1899 WeakPolarHBondContact O-CB 3.33Å; S1895-F1899 WeakPolarHBondContact O-CD2 3.28Å; S1895-F1899 PolarHBondContact O-N 3.23Å
1896	Q	63.5	Low	53.2	Low	91 Å²	91	71.1 Å²	71.1	43%	0.425	39%	0.393	S	S	.	.	H	α-helix	trans	-82	-21.5	174.1	-69.7	175.4	13.6	0	0	113.4	E1892 R1893 L1894 P1900	E1892-Q1896 WeakPolarHBondContact O-CB 3.48Å; E1892-Q1896 VanDerWaalsContact O-CG 3.29Å; E1892-Q1896 WeakPolarHBondContact O-CG 3.38Å; E1892-Q1896 PolarHBondContact O-N 3.1Å; R1893-Q1896 CarbonylContact O-C 3.11Å; R1893-Q1896 PolarHBondContact O-N 3.41Å; R1893-Q1896 VanDerWaalsContact O-N 3.1Å; L1894-Q1896 VanDerWaalsContact C-N 3.25Å; L1894-Q1896 PolarHBondContact O-N 3.47Å; Q1896-P1900 VanDerWaalsContact O-CA 3.25Å; Q1896-P1900 WeakPolarHBondContact O-CA 3.28Å; Q1896-P1900 WeakPolarHBondContact O-CB 3.25Å
1897	Q	60.2	Low	51.9	Low	113 Å²	113	73.9 Å²	73.9	53%	0.528	40%	0.404	S	S	.	.	H	α-helix	trans	-90.6	-33.1	175.3	-71.8	175.7	-53.9	0	0	112.4	I1822 R1893 L1894	I1822-Q1897 HydrophobicContact CD1-CB 3.56Å; I1822-Q1897 HydrophobicContact CG1-CB 4.39Å; R1893-Q1897 WeakPolarHBondContact O-CB 3.45Å; R1893-Q1897 VanDerWaalsContact O-CG 3.28Å; R1893-Q1897 WeakPolarHBondContact O-CG 3.34Å; R1893-Q1897 PolarHBondContact O-N 2.79Å; L1894-Q1897 CarbonylContact O-C 3.12Å; L1894-Q1897 PolarHBondContact O-N 3.04Å; L1894-Q1897 VanDerWaalsContact O-N 3.09Å
1898	C	67.1	Low	50.6	Low	1 Å²	1	74.5 Å²	74.5	1%	0.007	41%	0.407	C	S	.	.	H	α-helix	trans	-76.6	-38.9	171.4	-58.7	0	0	0	0	110.8	C1820 I1822 L1838 L1894	C1820-C1898 HydrophobicContact CB-CB 4.37Å; C1820-C1898 VanDerWaalsContact SG-CB 3.55Å; C1820-C1898 PolarHBondContact SG-SG 3.11Å; I1822-C1898 HydrophobicContact CD1-CB 4.5Å; I1822-C1898 WeakPolarHBondContact CD1-SG 3.39Å; L1838-C1898 HydrophobicContact CD2-CB 4.13Å; L1838-C1898 WeakPolarHBondContact CD2-SG 3.47Å; L1894-C1898 WeakPolarHBondContact O-CB 3.38Å; L1894-C1898 PolarHBondContact O-N 3.22Å; L1894-C1898 PolarHBondContact O-SG 3.48Å
1899	F	76.9	Confident	48.9	Very low	25 Å²	25	76.3 Å²	76.3	11%	0.11	42%	0.417	C	S	.	.	S	Bend	trans	-135.1	64.8	-173.4	-36.7	-66.6	0	0	0	111.6	V1818 C1820 I1827 R1834 H1837 L1838 S1895	V1818-F1899 HydrophobicContact CB-CD1 4.41Å; V1818-F1899 HydrophobicContact CB-CE1 4.33Å; V1818-F1899 HydrophobicContact CG1-CD1 3.47Å; V1818-F1899 VanDerWaalsContact CG1-CD1 3.47Å; V1818-F1899 HydrophobicContact CG1-CE1 3.79Å; C1820-F1899 HydrophobicContact CB-CE1 4.4Å; I1827-F1899 HydrophobicContact CD1-CE1 3.85Å; I1827-F1899 HydrophobicContact CD1-CZ 3.62Å; R1834-F1899 HydrophobicContact CG-CD2 4.47Å; R1834-F1899 HydrophobicContact CG-CE2 3.78Å; R1834-F1899 HydrophobicContact CG-CZ 4.33Å; H1837-F1899 AromaticContact CD2-CZ 3.93Å; L1838-F1899 HydrophobicContact CD1-CE2 4.13Å; L1838-F1899 HydrophobicContact CD2-CE2 4.08Å; L1838-F1899 HydrophobicContact CG-CE2 4.13Å; S1895-F1899 CarbonylContact O-C 3.54Å; S1895-F1899 VanDerWaalsContact O-CA 3.31Å; S1895-F1899 WeakPolarHBondContact O-CA 3.43Å; S1895-F1899 VanDerWaalsContact O-CB 3.26Å; S1895-F1899 WeakPolarHBondContact O-CB 3.33Å; S1895-F1899 WeakPolarHBondContact O-CD2 3.28Å; S1895-F1899 PolarHBondContact O-N 3.23Å
1900	P	58	Low	46.9	Very low	68 Å²	68	78 Å²	78	44%	0.442	43%	0.431	S	S	.	.			trans	-61.2	137.7	175.8	25.8	-33.9	0	0	0	111.4	Q1896	Q1896-P1900 VanDerWaalsContact O-CA 3.25Å; Q1896-P1900 WeakPolarHBondContact O-CA 3.28Å; Q1896-P1900 WeakPolarHBondContact O-CB 3.25Å
1901	K	37.1	Very low	45.2	Very low	214 Å²	214	80.5 Å²	80.5	93%	0.93	45%	0.447	S	S	*	.			trans	-96.6	108.2	-175.7	-65.6	-174.3	177.4	-173.7	0	112
1902	G	33.9	Very low	42.8	Very low	63 Å²	63	82 Å²	82	65%	0.649	47%	0.465	S	S	*	.			trans	-176	137.2	166.8	0	0	0	0	0	113.4
1903	S	22.5	Very low	40.6	Very low	105 Å²	105	82 Å²	82	73%	0.734	47%	0.472	S	S	*	.			trans	38.5	115.5	156.6	53.5	0	0	0	0	117.9
1904	N	20.8	Very low	38.4	Very low	158 Å²	158	82.9 Å²	82.9	85%	0.845	48%	0.48	S	S	*	.			cis	-164.2	171.1	47.5	-99.4	-23.3	0	0	0	114.7
1905	T	22.8	Very low	36.5	Very low	99 Å²	99	84.6 Å²	84.6	61%	0.607	49%	0.494	S	S	*	.			trans	-107.4	-164.3	164.6	61.5	0	0	0	0	108.6
1906	P	32.7	Very low	34.2	Very low	101 Å²	101	88.7 Å²	88.7	66%	0.656	51%	0.513	S	S	*	.			cis	-134.4	-165.8	-14	30.1	-5.8	0	0	0	113.9
1907	K	21.3	Very low	32.2	Very low	161 Å²	161	88.6 Å²	88.6	70%	0.7	52%	0.523	S	S	*	.			trans	85.9	147.4	157.5	-67.1	-171.6	177	-169.7	0	118.2
1908	I	20.5	Very low	30.4	Very low	58 Å²	58	86.9 Å²	86.9	30%	0.297	53%	0.528	S	S	.	.			cis	-155.7	-171.9	-25.4	-162.2	168.7	0	0	0	109.5	D1758 C1759 M1760	D1758-I1908 WeakPolarHBondContact CA-O 3.31Å; D1758-I1908 HydrophobicContact CB-CB 4.41Å; D1758-I1908 HydrophobicContact CB-CG2 3.54Å; D1758-I1908 PolarHBondContact OD1-N 2.96Å; D1758-I1908 WeakPolarHBondContact OD2-CG2 3.44Å; D1758-I1908 PolarHBondContact OD2-N 3.27Å; C1759-I1908 HydrophobicContact CB-CB 4.06Å; C1759-I1908 HydrophobicContact CB-CD1 4.18Å; C1759-I1908 HydrophobicContact CB-CG1 3.81Å; C1759-I1908 HydrophobicContact CB-CG2 3.56Å; M1760-I1908 HydrophobicContact CE-CD1 3.79Å; M1760-I1908 HydrophobicContact CE-CG1 3.93Å; M1760-I1908 HydrophobicContact CG-CD1 4.44Å; M1760-I1908 HydrophobicContact CG-CG1 4.39Å
1909	T	23.9	Very low	28.2	Very low	65 Å²	65	97.8 Å²	97.8	40%	0.399	57%	0.569	S	S	.	*			trans	-33.5	-138.9	-160.2	56.8	0	0	0	0	127.6	M1760 D2021	M1760-T1909 WeakPolarHBondContact CA-OG1 3.45Å; M1760-T1909 VanDerWaalsContact N-CA 3.34Å; M1760-T1909 PolarHBondContact N-OG1 3.03Å; T1909-D2021 WeakPolarHBondContact CB-OD2 3.29Å; T1909-D2021 WeakPolarHBondContact CG2-OD2 3.02Å; T1909-D2021 PolarHBondContact OG1-OD2 3.26Å
1910	A	22.5	Very low	25.6	Very low	55 Å²	55	106.7 Å²	106.7	46%	0.455	61%	0.608	S	S	.	*			cis	-149.2	-173.6	46.2	0	0	0	0	0	118.7	C1759	C1759-A1910 VanDerWaalsContact N-CA 3.33Å; C1759-A1910 VanDerWaalsContact N-CB 3.26Å
1911	S	20.7	Very low	23.8	Very low	77 Å²	77	107.3 Å²	107.3	54%	0.538	63%	0.626	S	S	.	*			trans	-66.9	177.1	174.3	-43.7	0	0	0	0	115.9
1912	A	22.1	Very low	23.1	Very low	56 Å²	56	103.8 Å²	103.8	46%	0.463	62%	0.623	S	S	.	*			cis	178.4	98.1	-35.6	0	0	0	0	0	114.1	E2018	A1912-E2018 VanDerWaalsContact C-CD 3.47Å; A1912-E2018 VanDerWaalsContact C-OE2 3.25Å; A1912-E2018 WeakPolarHBondContact CA-OE2 3.06Å; A1912-E2018 PolarHBondContact N-OE2 2.92Å
1913	S	22.3	Very low	22.5	Very low	64 Å²	64	104.1 Å²	104.1	45%	0.448	62%	0.616	S	S	.	*			trans	164.3	123.3	149.4	-83.6	0	0	0	0	120.1	E2018	S1913-E2018 VanDerWaalsContact C-OE1 3.26Å; S1913-E2018 WeakPolarHBondContact CA-OE1 3.45Å; S1913-E2018 PolarHBondContact N-OE1 3.49Å; S1913-E2018 PolarHBondContact N-OE2 3.47Å
1914	Q	21.9	Very low	22.5	Very low	119 Å²	119	104.8 Å²	104.8	56%	0.556	61%	0.607	S	S	*	*				72.1	150.7	127.5	-64.7	173.9	76.2	0	0	121.5	Y2015	Q1914-Y2015 VanDerWaalsContact N-CD2 3.26Å; Q1914-Y2015 WeakPolarHBondContact O-CA 3.34Å; Q1914-Y2015 PolarHBondContact O-N 2.95Å
1915	S	25.2	Very low	22.8	Very low	58 Å²	58	103.3 Å²	103.3	41%	0.406	60%	0.604	S	S	.	*			cis	-157.7	150.5	-20.8	60.3	0	0	0	0	114.7	Y2015	S1915-Y2015 VanDerWaalsContact CA-CD1 3.42Å; S1915-Y2015 VanDerWaalsContact CA-CG 3.41Å
1916	L	23.5	Very low	23.1	Very low	111 Å²	111	103.9 Å²	103.9	58%	0.581	60%	0.602	S	S	*	*			trans	58	135.2	136.9	-72.9	166.9	0	0	0	123.8	Y2015	L1916-Y2015 HydrophobicContact CG-CE1 4.33Å
1917	S	21.3	Very low	23.1	Very low	89 Å²	89	104.2 Å²	104.2	62%	0.622	60%	0.598	S	S	*	*			trans	75.1	160	141.3	-62.6	0	0	0	0	118.7
1918	A	21.8	Very low	23.9	Very low	78 Å²	78	98.7 Å²	98.7	65%	0.645	58%	0.575	S	S	*	*			cis	-154.1	157.4	8.6	0	0	0	0	0	116
1919	R	21.3	Very low	25.7	Very low	229 Å²	229	98.9 Å²	98.9	86%	0.864	58%	0.577	S	S	*	*			trans	68.1	107.9	141.4	-69.1	171.3	179.4	-160.4	-1.6	122.3
1920	K	20.7	Very low	27.6	Very low	212 Å²	212	97 Å²	97	92%	0.922	57%	0.565	S	S	*	*				35.4	126.6	108.3	-60.9	-176.1	177	-172.6	0	119.3
1921	G	21.1	Very low	29.3	Very low	81 Å²	81	98 Å²	98	84%	0.835	56%	0.561	S	S	*	*			trans	176.5	108.4	155.7	0	0	0	0	0	114.8
1922	T	22.2	Very low	31.5	Very low	140 Å²	140	94.4 Å²	94.4	86%	0.859	54%	0.536	S	S	*	.			trans	-115.8	125.3	179.3	42.2	0	0	0	0	112.2
1923	S	21.2	Very low	33.2	Very low	71 Å²	71	95.7 Å²	95.7	50%	0.497	55%	0.546	S	S	.	.			trans	169.9	127.4	144.3	-84.1	0	0	0	0	115.2
1924	Q	23.4	Very low	34.5	Very low	119 Å²	119	95 Å²	95	56%	0.556	54%	0.537	S	S	*	.			trans	61.7	128.3	135.1	-60.1	178.1	-14.8	0	0	121
1925	T	26.9	Very low	36.9	Very low	126 Å²	126	91.6 Å²	91.6	77%	0.773	53%	0.526	S	S	*	.			trans	-84.1	134.1	-167.4	53.5	0	0	0	0	117.4
1926	I	29	Very low	38.7	Very low	111 Å²	111	93.3 Å²	93.3	57%	0.569	54%	0.538	S	S	*	.			trans	-149.9	57.7	164.3	-38.8	177	0	0	0	111.7	E1796 Q1928	E1796-I1926 PolarHBondContact OE1-N 3.03Å; E1796-I1926 VanDerWaalsContact OE2-CA 3.24Å; E1796-I1926 WeakPolarHBondContact OE2-CA 3.37Å; E1796-I1926 WeakPolarHBondContact OE2-CB 3.46Å; E1796-I1926 WeakPolarHBondContact OE2-CG1 3.27Å; E1796-I1926 PolarHBondContact OE2-N 3.42Å; I1926-Q1928 PolarHBondContact O-N 3.47Å
1927	N	33.1	Very low	40.9	Very low	108 Å²	108	91.5 Å²	91.5	58%	0.578	53%	0.532	S	S	*	.			trans	29.7	81.9	158.8	-66.9	-19.7	0	0	0	116.4	E1796	E1796-N1927 PolarHBondContact OE1-N 3.04Å
1928	Q	37	Very low	42.9	Very low	46 Å²	46	90.1 Å²	90.1	22%	0.215	52%	0.522	C	S	.	.			trans	-71.9	161.4	166.3	-41.4	178.3	22.3	0	0	110.8	E1796 K1797 I1926 Q1940 S1941	E1796-Q1928 HydrophobicContact CB-CG 3.89Å; E1796-Q1928 HydrophobicContact CG-CG 3.96Å; K1797-Q1928 HydrophobicContact CG-CG 4.4Å; I1926-Q1928 PolarHBondContact O-N 3.47Å; Q1928-Q1940 WeakPolarHBondContact O-CA 3.26Å; Q1928-S1941 PolarHBondContact N-OG 3.02Å; Q1928-S1941 PolarHBondContact O-N 3.45Å; Q1928-S1941 PolarHBondContact O-OG 2.8Å
1929	N	57.9	Low	45.3	Very low	62 Å²	62	88.5 Å²	88.5	33%	0.332	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.8	154.7	-77.7	19.6	0	0	0	109.9	A1798 S1938 M1939 Q1940	A1798-N1929 WeakPolarHBondContact CB-O 3.22Å; N1929-S1938 WeakPolarHBondContact CB-OG 3.39Å; N1929-S1938 PolarHBondContact ND2-OG 3.21Å; N1929-M1939 CarbonylContact C-O 3.46Å; N1929-M1939 WeakPolarHBondContact CA-O 3.48Å; N1929-M1939 WeakPolarHBondContact CB-O 3.46Å; N1929-Q1940 VanDerWaalsContact OD1-CG 3.23Å; N1929-Q1940 WeakPolarHBondContact OD1-CG 3.39Å
1930	V	64.7	Low	47.4	Very low	25 Å²	25	82.5 Å²	82.5	15%	0.152	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	116.4	168.6	163.2	0	0	0	0	107.5	A1800 M1939 L1947	A1800-V1930 HydrophobicContact CB-CB 3.86Å; A1800-V1930 HydrophobicContact CB-CG1 3.46Å; A1800-V1930 VanDerWaalsContact CB-CG1 3.46Å; A1800-V1930 HydrophobicContact CB-CG2 4.09Å; V1930-M1939 PolarHBondContact N-O 3.41Å; V1930-M1939 PolarHBondContact O-N 3.5Å; V1930-L1947 HydrophobicContact CG1-CD1 3.82Å; V1930-L1947 HydrophobicContact CG1-CD2 3.86Å; V1930-L1947 HydrophobicContact CG1-CG 4.34Å
1931	M	58.7	Low	49.1	Very low	76 Å²	76	74.5 Å²	74.5	37%	0.374	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	144	166.9	-70.8	-170.8	-74.4	0	0	111.9	D1799 A1800 A1801 V1937	D1799-M1931 WeakPolarHBondContact OD1-CB 3.32Å; D1799-M1931 WeakPolarHBondContact OD1-CG 3.44Å; D1799-M1931 PolarHBondContact OD1-N 3.01Å; D1799-M1931 WeakPolarHBondContact OD2-CE 3.48Å; A1800-M1931 CarbonylContact C-O 3.47Å; A1800-M1931 WeakPolarHBondContact CB-O 3.32Å; A1801-M1931 PolarHBondContact N-O 3.43Å; A1801-M1931 VanDerWaalsContact N-O 3.1Å; M1931-V1937 WeakPolarHBondContact CA-O 3.32Å
1932	C	66.8	Low	50.6	Low	2 Å²	2	74 Å²	74	1%	0.014	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-87.6	130.1	165.5	180	0	0	0	0	111.4	A1801 L1802 I1934 S1936 V1937 H1950	A1801-C1932 WeakPolarHBondContact O-CA 3.36Å; L1802-C1932 PolarHBondContact O-SG 3Å; C1932-I1934 PolarHBondContact O-N 2.86Å; C1932-I1934 WeakPolarHBondContact SG-CD1 3.26Å; C1932-S1936 VanDerWaalsContact O-CA 3.26Å; C1932-S1936 WeakPolarHBondContact O-CA 3.16Å; C1932-S1936 PolarHBondContact O-N 2.73Å; C1932-V1937 PolarHBondContact N-O 2.87Å; C1932-H1950 WeakPolarHBondContact CB-CD2 3.33Å; C1932-H1950 VanDerWaalsContact CB-NE2 3.31Å; C1932-H1950 WeakPolarHBondContact CB-NE2 3.05Å; C1932-H1950 VanDerWaalsContact SG-CD2 3.6Å; C1932-H1950 PolarHBondContact SG-NE2 3.31Å
1933	A	57.4	Low	52.1	Low	82 Å²	82	69.2 Å²	69.2	68%	0.678	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-7.1	-176.2	0	0	0	0	0	114.5	A1801 L1802	A1801-A1933 PolarHBondContact O-N 3.13Å; L1802-A1933 WeakPolarHBondContact O-CA 3.49Å; L1802-A1933 VanDerWaalsContact O-CB 3.28Å; L1802-A1933 WeakPolarHBondContact O-CB 3.37Å; L1802-A1933 PolarHBondContact O-N 3.34Å
1934	I	49.6	Very low	53.9	Low	49 Å²	49	71.7 Å²	71.7	25%	0.251	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-56.2	177.3	-43.4	152	0	0	0	111.4	L1802 R1803 D1804 C1932 H1954	L1802-I1934 PolarHBondContact O-N 3.16Å; R1803-I1934 VanDerWaalsContact N-CG1 3.25Å; R1803-I1934 VanDerWaalsContact O-CD1 3.22Å; R1803-I1934 WeakPolarHBondContact O-CD1 3.27Å; D1804-I1934 HydrophobicContact CB-CG1 4.31Å; D1804-I1934 HydrophobicContact CB-CG2 3.96Å; D1804-I1934 WeakPolarHBondContact OD1-CD1 3.41Å; D1804-I1934 WeakPolarHBondContact OD2-CG2 3.13Å; C1932-I1934 PolarHBondContact O-N 2.86Å; C1932-I1934 WeakPolarHBondContact SG-CD1 3.26Å; I1934-H1954 WeakPolarHBondContact CG2-CE1 3.19Å
1935	C	71.9	Confident	55.8	Low	48 Å²	48	67.3 Å²	67.3	32%	0.324	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-3.1	-168.5	76.1	0	0	0	0	113.3	V1937 H1950	C1935-V1937 PolarHBondContact O-N 3.07Å; C1935-V1937 VanDerWaalsContact SG-CB 3.54Å; C1935-V1937 WeakPolarHBondContact SG-CG2 3.4Å; C1935-V1937 PolarHBondContact SG-N 3.03Å; C1935-V1937 VanDerWaalsContact SG-N 3.4Å; C1935-H1950 PolarHBondContact SG-CE1 3.25Å; C1935-H1950 PolarHBondContact SG-NE2 3.3Å
1936	S	62.7	Low	57.5	Low	95 Å²	95	62.4 Å²	62.4	66%	0.664	37%	0.366	S	S	*	.			trans	59.4	19.8	-175.6	65.4	0	0	0	0	116	C1932	C1932-S1936 VanDerWaalsContact O-CA 3.26Å; C1932-S1936 WeakPolarHBondContact O-CA 3.16Å; C1932-S1936 PolarHBondContact O-N 2.73Å
1937	V	69.3	Low	59.2	Low	73 Å²	73	58.5 Å²	58.5	44%	0.442	35%	0.346	S	S	.	.			trans	-70.2	131.4	169.9	171.4	0	0	0	0	109.8	M1931 C1932 C1935 M1939	M1931-V1937 WeakPolarHBondContact CA-O 3.32Å; C1932-V1937 PolarHBondContact N-O 2.87Å; C1935-V1937 PolarHBondContact O-N 3.07Å; C1935-V1937 VanDerWaalsContact SG-CB 3.54Å; C1935-V1937 WeakPolarHBondContact SG-CG2 3.4Å; C1935-V1937 PolarHBondContact SG-N 3.03Å; C1935-V1937 VanDerWaalsContact SG-N 3.4Å; V1937-M1939 HydrophobicContact CG1-CG 3.88Å; V1937-M1939 HydrophobicContact CG1-SD 4.36Å
1938	S	64.4	Low	60.8	Low	59 Å²	59	57.7 Å²	57.7	41%	0.413	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.9	-178.7	-169.3	0	0	0	0	110.1	N1929	N1929-S1938 WeakPolarHBondContact CB-OG 3.39Å; N1929-S1938 PolarHBondContact ND2-OG 3.21Å
1939	M	71.9	Confident	62	Low	45 Å²	45	57.1 Å²	57.1	22%	0.222	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.2	-171	-52.2	-171.2	70.7	0	0	110.2	N1929 V1930 V1937 A1946 H1950	N1929-M1939 CarbonylContact C-O 3.46Å; N1929-M1939 WeakPolarHBondContact CA-O 3.48Å; N1929-M1939 WeakPolarHBondContact CB-O 3.46Å; V1930-M1939 PolarHBondContact N-O 3.41Å; V1930-M1939 PolarHBondContact O-N 3.5Å; V1937-M1939 HydrophobicContact CG1-CG 3.88Å; V1937-M1939 HydrophobicContact CG1-SD 4.36Å; M1939-A1946 HydrophobicContact CE-CB 3.49Å; M1939-A1946 VanDerWaalsContact CE-CB 3.49Å; M1939-A1946 WeakPolarHBondContact CE-O 3Å; M1939-H1950 HydrophobicContact CE-CB 4.46Å; M1939-H1950 HydrophobicContact SD-CB 3.79Å
1940	Q	65.7	Low	62.6	Low	103 Å²	103	55.6 Å²	55.6	48%	0.481	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	141.5	-176.3	-79.2	174.5	-8.1	0	0	113.2	Q1928 N1929 S1942 D1943	Q1928-Q1940 WeakPolarHBondContact O-CA 3.26Å; N1929-Q1940 VanDerWaalsContact OD1-CG 3.23Å; N1929-Q1940 WeakPolarHBondContact OD1-CG 3.39Å; Q1940-S1942 PolarHBondContact O-N 3.25Å; Q1940-S1942 VanDerWaalsContact O-N 3.08Å; Q1940-D1943 PolarHBondContact O-N 3.43Å; Q1940-D1943 VanDerWaalsContact O-N 3.08Å
1941	S	56.7	Low	62.3	Low	44 Å²	44	55.2 Å²	55.2	31%	0.308	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-5	-175.2	64.5	0	0	0	0	115.2	Q1928 D1943	Q1928-S1941 PolarHBondContact N-OG 3.02Å; Q1928-S1941 PolarHBondContact O-N 3.45Å; Q1928-S1941 PolarHBondContact O-OG 2.8Å; S1941-D1943 VanDerWaalsContact C-N 3.3Å
1942	S	52.6	Low	62.3	Low	71 Å²	71	55.2 Å²	55.2	50%	0.497	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-6.9	171.5	59.9	0	0	0	0	113.5	R1690 Q1940	R1690-S1942 PolarHBondContact NH1-O 2.69Å; Q1940-S1942 PolarHBondContact O-N 3.25Å; Q1940-S1942 VanDerWaalsContact O-N 3.08Å
1943	D	52.6	Low	61.8	Low	39 Å²	39	64.1 Å²	64.1	21%	0.209	36%	0.359	C	S	.	.			trans	-118.7	63.4	-165.7	-88.3	13.4	0	0	0	114.4	R1690 Q1940 S1941 E1945 A1946 L1947	R1690-D1943 VanDerWaalsContact CD-CG 3.43Å; R1690-D1943 VanDerWaalsContact CD-OD1 3.26Å; R1690-D1943 WeakPolarHBondContact CD-OD1 3.2Å; R1690-D1943 VanDerWaalsContact CD-OD2 3.24Å; R1690-D1943 WeakPolarHBondContact CD-OD2 3.43Å; R1690-D1943 IonicContact CZ-OD1 3.09Å; R1690-D1943 IonicContact NE-OD1 3.22Å; R1690-D1943 IonicContact NH1-OD1 2.62Å; R1690-D1943 PolarHBondContact NH1-OD1 3Å; Q1940-D1943 PolarHBondContact O-N 3.43Å; Q1940-D1943 VanDerWaalsContact O-N 3.08Å; S1941-D1943 VanDerWaalsContact C-N 3.3Å; D1943-E1945 PolarHBondContact O-N 3.28Å; D1943-A1946 HydrophobicContact CB-CB 3.75Å; D1943-A1946 WeakPolarHBondContact O-CA 3.34Å; D1943-A1946 WeakPolarHBondContact O-CB 3.04Å; D1943-A1946 PolarHBondContact O-N 3.24Å; D1943-L1947 PolarHBondContact O-N 3.26Å; D1943-L1947 VanDerWaalsContact O-N 3.07Å
1944	D	59.5	Low	61.8	Low	122 Å²	122	61.9 Å²	61.9	65%	0.652	34%	0.335	S	S	*	.	H	α-helix	trans	-50.3	-49.3	175.6	-69.8	-37.9	0	0	0	113.5	A1946 L1947 L1948	D1944-A1946 PolarHBondContact O-N 3.38Å; D1944-L1947 PolarHBondContact O-N 3.15Å; D1944-L1948 WeakPolarHBondContact O-CB 3.32Å; D1944-L1948 PolarHBondContact O-N 3.45Å
1945	E	62.7	Low	61.7	Low	28 Å²	28	64.9 Å²	64.9	13%	0.131	35%	0.35	C	S	.	.	H	α-helix	trans	-60.2	-26.5	175.9	175	-164.7	173.6	0	0	112	Y1683 R1690 D1943 N1949	Y1683-E1945 PolarHBondContact OH-OE1 2.86Å; R1690-E1945 IonicContact CZ-OE2 3.41Å; R1690-E1945 IonicContact NE-OE2 3.23Å; R1690-E1945 PolarHBondContact NE-OE2 2.81Å; R1690-E1945 IonicContact NH2-OE2 3.65Å; R1690-E1945 PolarHBondContact NH2-OE2 2.72Å; D1943-E1945 PolarHBondContact O-N 3.28Å; E1945-N1949 VanDerWaalsContact CG-ND2 3.34Å; E1945-N1949 WeakPolarHBondContact CG-ND2 3.3Å; E1945-N1949 WeakPolarHBondContact O-CB 3.36Å; E1945-N1949 VanDerWaalsContact O-CG 3.27Å; E1945-N1949 PolarHBondContact O-N 3.38Å; E1945-N1949 PolarHBondContact O-ND2 3.29Å
1946	A	63.6	Low	60.1	Low	23 Å²	23	69.4 Å²	69.4	19%	0.19	36%	0.361	C	S	.	.	H	α-helix	trans	-78.8	-41	177.3	0	0	0	0	0	111	M1939 D1943 D1944 L1948 N1949 H1950	M1939-A1946 HydrophobicContact CE-CB 3.49Å; M1939-A1946 VanDerWaalsContact CE-CB 3.49Å; M1939-A1946 WeakPolarHBondContact CE-O 3Å; D1943-A1946 HydrophobicContact CB-CB 3.75Å; D1943-A1946 WeakPolarHBondContact O-CA 3.34Å; D1943-A1946 WeakPolarHBondContact O-CB 3.04Å; D1943-A1946 PolarHBondContact O-N 3.24Å; D1944-A1946 PolarHBondContact O-N 3.38Å; A1946-L1948 VanDerWaalsContact C-N 3.32Å; A1946-N1949 PolarHBondContact O-N 3.33Å; A1946-H1950 VanDerWaalsContact O-CB 3.31Å; A1946-H1950 WeakPolarHBondContact O-CB 3.28Å; A1946-H1950 PolarHBondContact O-N 2.75Å
1947	L	64.5	Low	59	Low	28 Å²	28	68.6 Å²	68.6	15%	0.147	35%	0.346	C	S	.	.	H	α-helix	trans	-59.8	-43.3	167.7	-179.1	66.9	0	0	0	110.9	A1801 L1802 V1930 D1943 D1944 H1950 V1951	A1801-L1947 HydrophobicContact CB-CD2 4.28Å; L1802-L1947 HydrophobicContact CD1-CD2 4.17Å; L1802-L1947 HydrophobicContact CD1-CG 4.45Å; V1930-L1947 HydrophobicContact CG1-CD1 3.82Å; V1930-L1947 HydrophobicContact CG1-CD2 3.86Å; V1930-L1947 HydrophobicContact CG1-CG 4.34Å; D1943-L1947 PolarHBondContact O-N 3.26Å; D1943-L1947 VanDerWaalsContact O-N 3.07Å; D1944-L1947 PolarHBondContact O-N 3.15Å; L1947-H1950 WeakPolarHBondContact O-CB 3.31Å; L1947-H1950 PolarHBondContact O-N 2.85Å; L1947-H1950 VanDerWaalsContact O-N 3.16Å; L1947-V1951 PolarHBondContact O-N 3.5Å
1948	L	67	Low	57.8	Low	91 Å²	91	68.7 Å²	68.7	48%	0.476	35%	0.347	S	S	.	.	H	α-helix	trans	-67.2	-42.2	179.4	-145.6	78.1	0	0	0	111.8	D1944 A1946 H1950 V1951 R1952	D1944-L1948 WeakPolarHBondContact O-CB 3.32Å; D1944-L1948 PolarHBondContact O-N 3.45Å; A1946-L1948 VanDerWaalsContact C-N 3.32Å; L1948-H1950 PolarHBondContact O-N 2.93Å; L1948-V1951 PolarHBondContact O-N 3.01Å; L1948-R1952 WeakPolarHBondContact O-CB 3.29Å; L1948-R1952 VanDerWaalsContact O-CG 3.27Å; L1948-R1952 WeakPolarHBondContact O-CG 3.32Å; L1948-R1952 PolarHBondContact O-N 2.89Å
1949	N	61.1	Low	57.7	Low	35 Å²	35	67.7 Å²	67.7	19%	0.187	34%	0.34	C	S	.	.	H	α-helix	trans	-67.1	-25.8	172.1	-81.2	-53.4	0	0	0	112.9	E1945 A1946 R1952	E1945-N1949 VanDerWaalsContact CG-ND2 3.34Å; E1945-N1949 WeakPolarHBondContact CG-ND2 3.3Å; E1945-N1949 WeakPolarHBondContact O-CB 3.36Å; E1945-N1949 VanDerWaalsContact O-CG 3.27Å; E1945-N1949 PolarHBondContact O-N 3.38Å; E1945-N1949 PolarHBondContact O-ND2 3.29Å; A1946-N1949 PolarHBondContact O-N 3.33Å; N1949-R1952 PolarHBondContact OD1-NH1 2.96Å
1950	H	71.7	Confident	57.9	Low	30 Å²	30	68 Å²	68	14%	0.139	34%	0.34	C	S	.	.	H	α-helix	trans	-72.3	-47.3	172	176.2	43.4	0	0	0	111.2	C1932 C1935 M1939 A1946 L1947 L1948 R1952 Y1953 H1954	C1932-H1950 WeakPolarHBondContact CB-CD2 3.33Å; C1932-H1950 VanDerWaalsContact CB-NE2 3.31Å; C1932-H1950 WeakPolarHBondContact CB-NE2 3.05Å; C1932-H1950 VanDerWaalsContact SG-CD2 3.6Å; C1932-H1950 PolarHBondContact SG-NE2 3.31Å; C1935-H1950 PolarHBondContact SG-CE1 3.25Å; C1935-H1950 PolarHBondContact SG-NE2 3.3Å; M1939-H1950 HydrophobicContact CE-CB 4.46Å; M1939-H1950 HydrophobicContact SD-CB 3.79Å; A1946-H1950 VanDerWaalsContact O-CB 3.31Å; A1946-H1950 WeakPolarHBondContact O-CB 3.28Å; A1946-H1950 PolarHBondContact O-N 2.75Å; L1947-H1950 WeakPolarHBondContact O-CB 3.31Å; L1947-H1950 PolarHBondContact O-N 2.85Å; L1947-H1950 VanDerWaalsContact O-N 3.16Å; L1948-H1950 PolarHBondContact O-N 2.93Å; H1950-R1952 VanDerWaalsContact C-N 3.33Å; H1950-R1952 PolarHBondContact O-N 2.98Å; H1950-Y1953 WeakPolarHBondContact O-CB 3.24Å; H1950-Y1953 PolarHBondContact O-N 3.42Å; H1950-H1954 AromaticContact CE1-NE2 3.41Å; H1950-H1954 PolarHBondContact CE1-NE2 3.48Å; H1950-H1954 AromaticContact NE2-NE2 3.88Å; H1950-H1954 PolarHBondContact O-CD2 3.15Å
1951	V	57.5	Low	58.2	Low	17 Å²	17	66.2 Å²	66.2	10%	0.103	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-34.6	174.9	175.2	0	0	0	0	112.2	L1802 L1947 L1948 Y1953 H1954 L1955	L1802-V1951 HydrophobicContact CB-CG2 4.06Å; L1802-V1951 HydrophobicContact CD1-CG2 4Å; L1947-V1951 PolarHBondContact O-N 3.5Å; L1948-V1951 PolarHBondContact O-N 3.01Å; V1951-Y1953 PolarHBondContact O-N 3.38Å; V1951-H1954 WeakPolarHBondContact O-CB 3.29Å; V1951-H1954 PolarHBondContact O-N 2.84Å; V1951-L1955 HydrophobicContact CG1-CD1 4.23Å
1952	R	59.6	Low	59.2	Low	75 Å²	75	64.3 Å²	64.3	28%	0.283	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-13.2	168.6	-76.3	175.1	-176.7	153.1	-1.3	114.4	D1715 L1948 N1949 H1950 H1954	D1715-R1952 IonicContact OD1-CZ 3.02Å; D1715-R1952 IonicContact OD1-NH1 2.63Å; D1715-R1952 PolarHBondContact OD1-NH1 3.14Å; D1715-R1952 IonicContact OD1-NH2 3.02Å; D1715-R1952 PolarHBondContact OD1-NH2 3.24Å; L1948-R1952 WeakPolarHBondContact O-CB 3.29Å; L1948-R1952 VanDerWaalsContact O-CG 3.27Å; L1948-R1952 WeakPolarHBondContact O-CG 3.32Å; L1948-R1952 PolarHBondContact O-N 2.89Å; N1949-R1952 PolarHBondContact OD1-NH1 2.96Å; H1950-R1952 VanDerWaalsContact C-N 3.33Å; H1950-R1952 PolarHBondContact O-N 2.98Å; R1952-H1954 VanDerWaalsContact C-N 3.27Å
1953	Y	56	Low	60.5	Low	190 Å²	190	64.5 Å²	64.5	75%	0.745	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-16	175.6	-143.8	-83.6	0	0	0	112.7	H1950 V1951	H1950-Y1953 WeakPolarHBondContact O-CB 3.24Å; H1950-Y1953 PolarHBondContact O-N 3.42Å; V1951-Y1953 PolarHBondContact O-N 3.38Å
1954	H	57.8	Low	61.6	Low	35 Å²	35	65.4 Å²	65.4	16%	0.162	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-46.3	-180	-64.2	-96.3	0	0	0	110.9	D1804 I1934 H1950 V1951 R1952 R1956	D1804-H1954 WeakPolarHBondContact OD1-CB 3.5Å; D1804-H1954 IonicContact OD1-CE1 3.15Å; D1804-H1954 IonicContact OD1-CG 3.88Å; D1804-H1954 IonicContact OD1-ND1 2.69Å; D1804-H1954 PolarHBondContact OD1-ND1 2.93Å; D1804-H1954 IonicContact OD2-CE1 3.62Å; D1804-H1954 IonicContact OD2-ND1 3.6Å; D1804-H1954 PolarHBondContact OD2-ND1 3.16Å; I1934-H1954 WeakPolarHBondContact CG2-CE1 3.19Å; H1950-H1954 AromaticContact CE1-NE2 3.41Å; H1950-H1954 PolarHBondContact CE1-NE2 3.48Å; H1950-H1954 AromaticContact NE2-NE2 3.88Å; H1950-H1954 PolarHBondContact O-CD2 3.15Å; V1951-H1954 WeakPolarHBondContact O-CB 3.29Å; V1951-H1954 PolarHBondContact O-N 2.84Å; R1952-H1954 VanDerWaalsContact C-N 3.27Å; H1954-R1956 PolarHBondContact O-N 3.43Å
1955	L	46.4	Very low	62.5	Low	111 Å²	111	61.6 Å²	61.6	58%	0.581	30%	0.298	S	S	*	.	S	Bend	trans	-66.7	47.8	177	-63.8	163.3	0	0	0	114.7	V1951	V1951-L1955 HydrophobicContact CG1-CD1 4.23Å
1956	R	38.4	Very low	63	Low	143 Å²	143	66 Å²	66	54%	0.54	32%	0.322	S	S	.	.	S	Bend	trans	-139	88.5	170.1	-76.5	-168.9	173.5	-93.4	-8.7	109	H1954	H1954-R1956 PolarHBondContact O-N 3.43Å
1957	E	40.8	Very low	63.4	Low	79 Å²	79	67.8 Å²	67.8	37%	0.369	33%	0.326	S	S	.	.	S	Bend	trans	-40.4	154.6	-179.7	-66.2	173.6	-123.9	0	0	114.6	R1808 G1995	R1808-E1957 IonicContact NE-OE2 3.59Å; R1808-E1957 PolarHBondContact NE-OE2 2.8Å; R1808-E1957 IonicContact NH2-OE2 2.85Å; E1957-G1995 PolarHBondContact OE2-N 2.81Å
1958	T	42.7	Very low	63.5	Low	74 Å²	74	70.3 Å²	70.3	45%	0.454	34%	0.339	S	S	.	.			trans	78.7	33.9	-178.9	75	0	0	0	0	117.7	M1993 T1994	T1958-M1993 WeakPolarHBondContact CA-O 3.29Å; T1958-M1993 PolarHBondContact N-O 3.25Å; T1958-T1994 HydrophobicContact CG2-CG2 4.31Å
1959	C	64	Low	64.1	Low	39 Å²	39	69.2 Å²	69.2	26%	0.264	33%	0.332	S	S	.	.			trans	-70.4	146.2	159.3	-80.3	0	0	0	0	112.5	L1968 M1993	C1959-L1968 HydrophobicContact CB-CD2 4.15Å; C1959-M1993 PolarHBondContact O-N 3.2Å
1960	F	74.5	Confident	64.7	Low	50 Å²	50	72.5 Å²	72.5	22%	0.219	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129	168.9	-63.1	-86.8	0	0	0	110.3	L1968 H1969 S1972 V1975 I1990 L1991 T1992	F1960-L1968 WeakPolarHBondContact O-CA 3.26Å; F1960-H1969 WeakPolarHBondContact CB-O 3.47Å; F1960-H1969 PolarHBondContact N-O 3.32Å; F1960-H1969 PolarHBondContact O-N 2.96Å; F1960-S1972 VanDerWaalsContact CD2-N 3.26Å; F1960-V1975 HydrophobicContact CB-CG2 3.87Å; F1960-I1990 HydrophobicContact CB-CG2 3.72Å; F1960-I1990 HydrophobicContact CD1-CG2 3.79Å; F1960-I1990 HydrophobicContact CG-CG2 4.19Å; F1960-L1991 CarbonylContact C-O 3.56Å; F1960-L1991 VanDerWaalsContact CA-O 3.27Å; F1960-L1991 WeakPolarHBondContact CA-O 3.24Å; F1960-T1992 HydrophobicContact CD1-CG2 3.85Å; F1960-T1992 WeakPolarHBondContact CD1-OG1 3.42Å; F1960-T1992 HydrophobicContact CE1-CG2 3.62Å; F1960-T1992 VanDerWaalsContact CE1-OG1 3.3Å; F1960-T1992 WeakPolarHBondContact CE1-OG1 3.37Å; F1960-T1992 HydrophobicContact CZ-CG2 4.14Å
1961	K	73.8	Confident	64.6	Low	67 Å²	67	76.2 Å²	76.2	29%	0.291	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	140.6	178.7	-171.1	165.4	-177.6	167.6	0	112.4	D1966 L1968 L1991	K1961-D1966 WeakPolarHBondContact CE-OD1 3.31Å; K1961-D1966 IonicContact NZ-OD1 2.69Å; K1961-D1966 PolarHBondContact NZ-OD1 3.27Å; K1961-L1968 HydrophobicContact CB-CD2 3.72Å; K1961-L1968 HydrophobicContact CB-CG 4.34Å; K1961-L1968 HydrophobicContact CD-CD2 4.14Å; K1961-L1968 HydrophobicContact CD-CG 4.36Å; K1961-L1968 HydrophobicContact CG-CD2 3.99Å; K1961-L1968 HydrophobicContact CG-CG 4.15Å; K1961-L1991 PolarHBondContact N-O 3.13Å; K1961-L1991 PolarHBondContact O-N 3.46Å
1962	C	77.1	Confident	65.7	Low	4 Å²	4	76.7 Å²	76.7	3%	0.027	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	130.5	168.2	174.9	0	0	0	0	111.1	H1964 C1965 F1967 V1975 H1978 T1979 H1983	C1962-H1964 PolarHBondContact O-N 3.11Å; C1962-H1964 VanDerWaalsContact O-N 3.14Å; C1962-H1964 PolarHBondContact SG-N 2.96Å; C1962-H1964 VanDerWaalsContact SG-N 3.36Å; C1962-C1965 VanDerWaalsContact CB-O 3.31Å; C1962-C1965 WeakPolarHBondContact CB-O 3.43Å; C1962-F1967 HydrophobicContact CB-CB 3.92Å; C1962-F1967 WeakPolarHBondContact CB-O 3.24Å; C1962-F1967 PolarHBondContact N-O 2.9Å; C1962-V1975 HydrophobicContact CB-CG1 3.78Å; C1962-H1978 VanDerWaalsContact SG-CD2 3.55Å; C1962-H1978 PolarHBondContact SG-NE2 3.29Å; C1962-T1979 HydrophobicContact CB-CG2 4.45Å; C1962-T1979 WeakPolarHBondContact SG-CG2 3.38Å; C1962-H1983 VanDerWaalsContact SG-CD2 3.59Å
1963	N	78.4	Confident	66.9	Low	75 Å²	75	76.2 Å²	76.2	40%	0.401	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	2.2	178.8	-70.4	53.5	0	0	0	114.6	R1989 I1990 L1991	N1963-R1989 PolarHBondContact OD1-O 3.12Å; N1963-I1990 WeakPolarHBondContact OD1-CA 3.44Å; N1963-L1991 PolarHBondContact OD1-N 2.84Å
1964	H	77.2	Confident	68.1	Low	58 Å²	58	69.1 Å²	69.1	27%	0.269	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-7.2	-170.3	-55.1	-72.5	0	0	0	115	C1962 H1983 K1986 S1987	C1962-H1964 PolarHBondContact O-N 3.11Å; C1962-H1964 VanDerWaalsContact O-N 3.14Å; C1962-H1964 PolarHBondContact SG-N 2.96Å; C1962-H1964 VanDerWaalsContact SG-N 3.36Å; H1964-H1983 HydrophobicContact CB-CB 4.18Å; H1964-H1983 PolarHBondContact O-CE1 2.84Å; H1964-K1986 HydrophobicContact CB-CD 4.47Å; H1964-K1986 WeakPolarHBondContact ND1-CD 3.15Å; H1964-S1987 PolarHBondContact NE2-O 2.66Å
1965	C	78.3	Confident	69.1	Low	41 Å²	41	67.5 Å²	67.5	28%	0.277	35%	0.347	S	S	.	.	S	Bend	trans	-167.5	174.2	164.6	77.4	0	0	0	0	108.7	C1962 F1967 H1978 H1983	C1962-C1965 VanDerWaalsContact CB-O 3.31Å; C1962-C1965 WeakPolarHBondContact CB-O 3.43Å; C1965-F1967 PolarHBondContact O-N 2.94Å; C1965-H1978 PolarHBondContact SG-CE1 3.12Å; C1965-H1978 PolarHBondContact SG-NE2 3.17Å; C1965-H1983 PolarHBondContact SG-NE2 2.72Å
1966	D	72.4	Confident	70.9	Confident	120 Å²	120	67 Å²	67	64%	0.642	34%	0.34	S	S	*	.	S	Bend	trans	-77.9	29.1	-173.6	-53.7	-77.5	0	0	0	115.3	K1961 L1968	K1961-D1966 WeakPolarHBondContact CE-OD1 3.31Å; K1961-D1966 IonicContact NZ-OD1 2.69Å; K1961-D1966 PolarHBondContact NZ-OD1 3.27Å; D1966-L1968 PolarHBondContact O-N 2.84Å
1967	F	73.2	Confident	73	Confident	62 Å²	62	67.1 Å²	67.1	27%	0.272	35%	0.347	S	S	.	.			trans	-70.3	102.8	170.4	-173.2	-90.7	0	0	0	110.3	C1962 C1965 H1969 V1974 V1975 H1978	C1962-F1967 HydrophobicContact CB-CB 3.92Å; C1962-F1967 WeakPolarHBondContact CB-O 3.24Å; C1962-F1967 PolarHBondContact N-O 2.9Å; C1965-F1967 PolarHBondContact O-N 2.94Å; F1967-H1969 HydrophobicContact CE1-CB 3.81Å; F1967-H1969 HydrophobicContact CZ-CB 4.27Å; F1967-V1974 HydrophobicContact CE1-CG1 4.08Å; F1967-V1974 HydrophobicContact CZ-CG1 3.81Å; F1967-V1975 HydrophobicContact CD1-CB 4.47Å; F1967-V1975 HydrophobicContact CD1-CG1 4.42Å; F1967-V1975 HydrophobicContact CD1-CG2 4.16Å; F1967-V1975 HydrophobicContact CE1-CG2 4.11Å; F1967-H1978 HydrophobicContact CD1-CB 3.62Å; F1967-H1978 AromaticContact CD1-CD2 3.86Å; F1967-H1978 AromaticContact CD1-CG 3.52Å; F1967-H1978 HydrophobicContact CD2-CB 4.41Å; F1967-H1978 AromaticContact CD2-CG 3.9Å; F1967-H1978 AromaticContact CD2-ND1 3.58Å; F1967-H1978 HydrophobicContact CE1-CB 3.68Å; F1967-H1978 HydrophobicContact CE2-CB 4.46Å; F1967-H1978 HydrophobicContact CG-CB 4.02Å; F1967-H1978 AromaticContact CG-CD2 3.74Å; F1967-H1978 AromaticContact CG-CG 3.43Å; F1967-H1978 VanDerWaalsContact CG-CG 3.43Å; F1967-H1978 AromaticContact CG-ND1 3.55Å; F1967-H1978 HydrophobicContact CZ-CB 4.12Å
1968	L	66.2	Low	75	Confident	80 Å²	80	65 Å²	65	42%	0.419	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.4	173.3	-75.2	142.6	0	0	0	109.9	C1959 F1960 K1961 D1966	C1959-L1968 HydrophobicContact CB-CD2 4.15Å; F1960-L1968 WeakPolarHBondContact O-CA 3.26Å; K1961-L1968 HydrophobicContact CB-CD2 3.72Å; K1961-L1968 HydrophobicContact CB-CG 4.34Å; K1961-L1968 HydrophobicContact CD-CD2 4.14Å; K1961-L1968 HydrophobicContact CD-CG 4.36Å; K1961-L1968 HydrophobicContact CG-CD2 3.99Å; K1961-L1968 HydrophobicContact CG-CG 4.15Å; D1966-L1968 PolarHBondContact O-N 2.84Å
1969	H	79.3	Confident	76.9	Confident	69 Å²	69	61.7 Å²	61.7	32%	0.319	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	146	173.2	-166.1	-87.8	0	0	0	111.6	F1960 F1967 Q1971 V1974 V1975	F1960-H1969 WeakPolarHBondContact CB-O 3.47Å; F1960-H1969 PolarHBondContact N-O 3.32Å; F1960-H1969 PolarHBondContact O-N 2.96Å; F1967-H1969 HydrophobicContact CE1-CB 3.81Å; F1967-H1969 HydrophobicContact CZ-CB 4.27Å; H1969-Q1971 PolarHBondContact ND1-N 3.28Å; H1969-Q1971 VanDerWaalsContact ND1-N 3.15Å; H1969-Q1971 PolarHBondContact O-N 3.49Å; H1969-V1974 HydrophobicContact CB-CB 4.42Å; H1969-V1974 VanDerWaalsContact CE1-CG2 3.45Å; H1969-V1974 WeakPolarHBondContact CE1-CG2 3.48Å; H1969-V1975 HydrophobicContact CB-CG2 3.81Å
1970	L	72.8	Confident	77.7	Confident	103 Å²	103	69.9 Å²	69.9	54%	0.539	34%	0.342	S	S	.	.	S	Bend	trans	-71.3	15.5	179	-147.9	75.9	0	0	0	114.2
1971	Q	70.7	Confident	77.9	Confident	108 Å²	108	70.3 Å²	70.3	51%	0.505	36%	0.36	S	S	.	.			trans	-149.7	124.6	176.9	-65.6	-167.5	-17.4	0	0	111.8	H1969 S1973 V1974 V1975	H1969-Q1971 PolarHBondContact ND1-N 3.28Å; H1969-Q1971 VanDerWaalsContact ND1-N 3.15Å; H1969-Q1971 PolarHBondContact O-N 3.49Å; Q1971-S1973 WeakPolarHBondContact CB-OG 3.48Å; Q1971-S1973 PolarHBondContact O-N 3.38Å; Q1971-S1973 VanDerWaalsContact O-N 3.14Å; Q1971-S1973 PolarHBondContact OE1-OG 2.88Å; Q1971-V1974 HydrophobicContact CB-CG2 4.4Å; Q1971-V1974 PolarHBondContact O-N 3.32Å; Q1971-V1975 PolarHBondContact O-N 2.96Å
1972	S	80.7	Confident	78.1	Confident	27 Å²	27	71.1 Å²	71.1	19%	0.189	37%	0.37	C	S	.	.	H	α-helix	trans	-54.2	-31.7	175.2	-168.6	0	0	0	0	113.6	F1960 V1975 K1976 I1990	F1960-S1972 VanDerWaalsContact CD2-N 3.26Å; S1972-V1975 PolarHBondContact O-N 3.34Å; S1972-K1976 WeakPolarHBondContact O-CB 3.35Å; S1972-K1976 WeakPolarHBondContact O-CD 3.45Å; S1972-K1976 PolarHBondContact O-N 3.2Å; S1972-K1976 PolarHBondContact OG-NZ 2.75Å; S1972-I1990 VanDerWaalsContact O-CD1 3.24Å; S1972-I1990 WeakPolarHBondContact O-CD1 3.34Å; S1972-I1990 WeakPolarHBondContact OG-CD1 3.44Å
1973	S	83.9	Confident	78.2	Confident	65 Å²	65	72.2 Å²	72.2	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-56.6	-50.1	176.5	42.4	0	0	0	0	112.6	Q1971 K1976 E1977	Q1971-S1973 WeakPolarHBondContact CB-OG 3.48Å; Q1971-S1973 PolarHBondContact O-N 3.38Å; Q1971-S1973 VanDerWaalsContact O-N 3.14Å; Q1971-S1973 PolarHBondContact OE1-OG 2.88Å; S1973-K1976 WeakPolarHBondContact O-CB 3.18Å; S1973-K1976 PolarHBondContact O-N 2.94Å; S1973-E1977 PolarHBondContact O-N 3.27Å
1974	V	80.9	Confident	77.3	Confident	42 Å²	42	73.3 Å²	73.3	26%	0.255	39%	0.386	S	S	.	.	H	α-helix	trans	-71.7	-34.1	-177.1	-171.2	0	0	0	0	110.7	F1967 H1969 Q1971 K1976 E1977 H1978	F1967-V1974 HydrophobicContact CE1-CG1 4.08Å; F1967-V1974 HydrophobicContact CZ-CG1 3.81Å; H1969-V1974 HydrophobicContact CB-CB 4.42Å; H1969-V1974 VanDerWaalsContact CE1-CG2 3.45Å; H1969-V1974 WeakPolarHBondContact CE1-CG2 3.48Å; Q1971-V1974 HydrophobicContact CB-CG2 4.4Å; Q1971-V1974 PolarHBondContact O-N 3.32Å; V1974-K1976 VanDerWaalsContact C-N 3.33Å; V1974-K1976 PolarHBondContact O-N 3.13Å; V1974-E1977 PolarHBondContact O-N 2.76Å; V1974-H1978 VanDerWaalsContact O-CB 3.29Å; V1974-H1978 WeakPolarHBondContact O-CB 3.48Å; V1974-H1978 PolarHBondContact O-N 3.34Å
1975	V	80.7	Confident	77	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-68.4	-31.6	172.4	-169.6	0	0	0	0	111.8	F1960 C1962 F1967 H1969 Q1971 S1972 T1979 I1990	F1960-V1975 HydrophobicContact CB-CG2 3.87Å; C1962-V1975 HydrophobicContact CB-CG1 3.78Å; F1967-V1975 HydrophobicContact CD1-CB 4.47Å; F1967-V1975 HydrophobicContact CD1-CG1 4.42Å; F1967-V1975 HydrophobicContact CD1-CG2 4.16Å; F1967-V1975 HydrophobicContact CE1-CG2 4.11Å; H1969-V1975 HydrophobicContact CB-CG2 3.81Å; Q1971-V1975 PolarHBondContact O-N 2.96Å; S1972-V1975 PolarHBondContact O-N 3.34Å; V1975-T1979 WeakPolarHBondContact O-CB 3.43Å; V1975-T1979 WeakPolarHBondContact O-CG2 3.42Å; V1975-T1979 PolarHBondContact O-N 3.37Å; V1975-T1979 PolarHBondContact O-OG1 3.03Å; V1975-I1990 HydrophobicContact CB-CD1 3.79Å; V1975-I1990 HydrophobicContact CB-CG1 4.15Å; V1975-I1990 HydrophobicContact CB-CG2 4.35Å; V1975-I1990 HydrophobicContact CG1-CD1 3.99Å; V1975-I1990 HydrophobicContact CG1-CG1 3.79Å; V1975-I1990 HydrophobicContact CG1-CG2 4.14Å
1976	K	83.8	Confident	76.5	Confident	100 Å²	100	78.7 Å²	78.7	44%	0.435	43%	0.429	S	S	.	.	H	α-helix	trans	-67.2	-40.7	170.2	-98.5	137.5	-171.3	158.2	0	111.8	S1972 S1973 V1974 T1979 R1980 I1990	S1972-K1976 WeakPolarHBondContact O-CB 3.35Å; S1972-K1976 WeakPolarHBondContact O-CD 3.45Å; S1972-K1976 PolarHBondContact O-N 3.2Å; S1972-K1976 PolarHBondContact OG-NZ 2.75Å; S1973-K1976 WeakPolarHBondContact O-CB 3.18Å; S1973-K1976 PolarHBondContact O-N 2.94Å; V1974-K1976 VanDerWaalsContact C-N 3.33Å; V1974-K1976 PolarHBondContact O-N 3.13Å; K1976-T1979 WeakPolarHBondContact CA-OG1 3.25Å; K1976-T1979 PolarHBondContact O-OG1 2.89Å; K1976-T1979 VanDerWaalsContact O-OG1 3.07Å; K1976-R1980 VanDerWaalsContact O-CB 3.26Å; K1976-R1980 WeakPolarHBondContact O-CB 3.5Å; K1976-R1980 PolarHBondContact O-N 2.66Å; K1976-I1990 HydrophobicContact CB-CD1 4.21Å; K1976-I1990 HydrophobicContact CD-CD1 3.75Å; K1976-I1990 HydrophobicContact CG-CD1 3.62Å
1977	E	81.4	Confident	76.2	Confident	146 Å²	146	76.9 Å²	76.9	68%	0.682	43%	0.426	S	S	*	.	H	α-helix	trans	-71.4	-41.5	179.3	-163.8	151.6	-129.4	0	0	111.4	S1973 V1974 R1980 G1981	S1973-E1977 PolarHBondContact O-N 3.27Å; V1974-E1977 PolarHBondContact O-N 2.76Å; E1977-R1980 PolarHBondContact O-N 3.44Å; E1977-G1981 PolarHBondContact O-N 2.88Å
1978	H	84.3	Confident	75.5	Confident	36 Å²	36	77.2 Å²	77.2	17%	0.167	44%	0.436	C	S	.	.	H	α-helix	trans	-56.6	-52.8	167.8	170.4	78.5	0	0	0	112.2	C1962 C1965 F1967 V1974 R1980 G1981 V1982 H1983	C1962-H1978 VanDerWaalsContact SG-CD2 3.55Å; C1962-H1978 PolarHBondContact SG-NE2 3.29Å; C1965-H1978 PolarHBondContact SG-CE1 3.12Å; C1965-H1978 PolarHBondContact SG-NE2 3.17Å; F1967-H1978 HydrophobicContact CD1-CB 3.62Å; F1967-H1978 AromaticContact CD1-CD2 3.86Å; F1967-H1978 AromaticContact CD1-CG 3.52Å; F1967-H1978 HydrophobicContact CD2-CB 4.41Å; F1967-H1978 AromaticContact CD2-CG 3.9Å; F1967-H1978 AromaticContact CD2-ND1 3.58Å; F1967-H1978 HydrophobicContact CE1-CB 3.68Å; F1967-H1978 HydrophobicContact CE2-CB 4.46Å; F1967-H1978 HydrophobicContact CG-CB 4.02Å; F1967-H1978 AromaticContact CG-CD2 3.74Å; F1967-H1978 AromaticContact CG-CG 3.43Å; F1967-H1978 VanDerWaalsContact CG-CG 3.43Å; F1967-H1978 AromaticContact CG-ND1 3.55Å; F1967-H1978 HydrophobicContact CZ-CB 4.12Å; V1974-H1978 VanDerWaalsContact O-CB 3.29Å; V1974-H1978 WeakPolarHBondContact O-CB 3.48Å; V1974-H1978 PolarHBondContact O-N 3.34Å; H1978-R1980 PolarHBondContact O-N 2.95Å; H1978-G1981 PolarHBondContact O-N 3.14Å; H1978-G1981 VanDerWaalsContact O-N 3.15Å; H1978-V1982 VanDerWaalsContact CE1-CB 3.47Å; H1978-V1982 WeakPolarHBondContact CE1-CB 3.49Å; H1978-V1982 WeakPolarHBondContact CE1-CG1 3.34Å; H1978-V1982 VanDerWaalsContact CE1-CG2 3.4Å; H1978-V1982 WeakPolarHBondContact CE1-CG2 3.46Å; H1978-V1982 WeakPolarHBondContact O-CB 3.25Å; H1978-V1982 PolarHBondContact O-N 3.16Å; H1978-H1983 AromaticContact CD2-CD2 3.94Å; H1978-H1983 AromaticContact NE2-CD2 2.83Å; H1978-H1983 PolarHBondContact NE2-CD2 3.32Å; H1978-H1983 AromaticContact NE2-CE1 3.45Å; H1978-H1983 PolarHBondContact NE2-CE1 2.81Å; H1978-H1983 AromaticContact NE2-NE2 2.25Å; H1978-H1983 PolarHBondContact NE2-NE2 3.49Å
1979	T	82.4	Confident	75.2	Confident	3 Å²	3	82.9 Å²	82.9	2%	0.018	45%	0.452	C	S	.	.	H	α-helix	trans	-61.4	-34.6	178.1	41.8	0	0	0	0	112.3	C1962 V1975 K1976 H1983	C1962-T1979 HydrophobicContact CB-CG2 4.45Å; C1962-T1979 WeakPolarHBondContact SG-CG2 3.38Å; V1975-T1979 WeakPolarHBondContact O-CB 3.43Å; V1975-T1979 WeakPolarHBondContact O-CG2 3.42Å; V1975-T1979 PolarHBondContact O-N 3.37Å; V1975-T1979 PolarHBondContact O-OG1 3.03Å; K1976-T1979 WeakPolarHBondContact CA-OG1 3.25Å; K1976-T1979 PolarHBondContact O-OG1 2.89Å; K1976-T1979 VanDerWaalsContact O-OG1 3.07Å; T1979-H1983 CarbonylContact O-C 3.25Å; T1979-H1983 VanDerWaalsContact O-CA 3.29Å; T1979-H1983 WeakPolarHBondContact O-CA 3.3Å; T1979-H1983 WeakPolarHBondContact O-CB 2.98Å; T1979-H1983 PolarHBondContact O-N 2.66Å
1980	R	80.7	Confident	74.6	Confident	212 Å²	212	81 Å²	81	80%	0.8	44%	0.444	S	S	*	.	H	α-helix	trans	-70.8	-32.6	175.7	-167.3	175.3	-171.3	172.8	3.5	113.7	K1976 E1977 H1978	K1976-R1980 VanDerWaalsContact O-CB 3.26Å; K1976-R1980 WeakPolarHBondContact O-CB 3.5Å; K1976-R1980 PolarHBondContact O-N 2.66Å; E1977-R1980 PolarHBondContact O-N 3.44Å; H1978-R1980 PolarHBondContact O-N 2.95Å
1981	G	78.9	Confident	74.1	Confident	58 Å²	58	80.6 Å²	80.6	60%	0.598	44%	0.442	S	S	*	.	H	α-helix	trans	-88.1	-42.1	-179.8	0	0	0	0	0	114.7	E1977 H1978	E1977-G1981 PolarHBondContact O-N 2.88Å; H1978-G1981 PolarHBondContact O-N 3.14Å; H1978-G1981 VanDerWaalsContact O-N 3.15Å
1982	V	77.8	Confident	73.3	Confident	84 Å²	84	78.7 Å²	78.7	51%	0.509	44%	0.437	S	S	.	.	H	α-helix	trans	-100.2	-23.7	-172.2	-174.7	0	0	0	0	112.5	H1978 P1984	H1978-V1982 VanDerWaalsContact CE1-CB 3.47Å; H1978-V1982 WeakPolarHBondContact CE1-CB 3.49Å; H1978-V1982 WeakPolarHBondContact CE1-CG1 3.34Å; H1978-V1982 VanDerWaalsContact CE1-CG2 3.4Å; H1978-V1982 WeakPolarHBondContact CE1-CG2 3.46Å; H1978-V1982 WeakPolarHBondContact O-CB 3.25Å; H1978-V1982 PolarHBondContact O-N 3.16Å; V1982-P1984 WeakPolarHBondContact O-CD 3.19Å
1983	H	78.5	Confident	71.7	Confident	27 Å²	27	81.2 Å²	81.2	13%	0.125	45%	0.447	C	S	.	.	S	Bend	trans	-126	49.4	-179.7	-51.5	-62.8	0	0	0	113.4	C1962 H1964 C1965 H1978 T1979 G1985 K1986	C1962-H1983 VanDerWaalsContact SG-CD2 3.59Å; H1964-H1983 HydrophobicContact CB-CB 4.18Å; H1964-H1983 PolarHBondContact O-CE1 2.84Å; C1965-H1983 PolarHBondContact SG-NE2 2.72Å; H1978-H1983 AromaticContact CD2-CD2 3.94Å; H1978-H1983 AromaticContact NE2-CD2 2.83Å; H1978-H1983 PolarHBondContact NE2-CD2 3.32Å; H1978-H1983 AromaticContact NE2-CE1 3.45Å; H1978-H1983 PolarHBondContact NE2-CE1 2.81Å; H1978-H1983 AromaticContact NE2-NE2 2.25Å; H1978-H1983 PolarHBondContact NE2-NE2 3.49Å; T1979-H1983 CarbonylContact O-C 3.25Å; T1979-H1983 VanDerWaalsContact O-CA 3.29Å; T1979-H1983 WeakPolarHBondContact O-CA 3.3Å; T1979-H1983 WeakPolarHBondContact O-CB 2.98Å; T1979-H1983 PolarHBondContact O-N 2.66Å; H1983-G1985 PolarHBondContact O-N 2.95Å; H1983-K1986 HydrophobicContact CB-CB 4.44Å; H1983-K1986 PolarHBondContact O-N 3.42Å; H1983-K1986 VanDerWaalsContact O-N 3.13Å
1984	P	58.5	Low	69.5	Low	99 Å²	99	82.4 Å²	82.4	64%	0.643	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	134.1	-179.6	26	-35.3	0	0	0	111.3	V1982	V1982-P1984 WeakPolarHBondContact O-CD 3.19Å
1985	G	72.4	Confident	67	Low	88 Å²	88	80.7 Å²	80.7	91%	0.907	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-6.6	-178.2	0	0	0	0	0	115.7	H1983	H1983-G1985 PolarHBondContact O-N 2.95Å
1986	K	67.5	Low	64.4	Low	124 Å²	124	85.3 Å²	85.3	54%	0.539	47%	0.468	S	S	.	.	S	Bend	trans	-99	154.9	174.3	-60.4	-166.1	-176.7	-178.7	0	112.5	H1964 H1983 S1988	H1964-K1986 HydrophobicContact CB-CD 4.47Å; H1964-K1986 WeakPolarHBondContact ND1-CD 3.15Å; H1983-K1986 HydrophobicContact CB-CB 4.44Å; H1983-K1986 PolarHBondContact O-N 3.42Å; H1983-K1986 VanDerWaalsContact O-N 3.13Å; K1986-S1988 PolarHBondContact O-N 3.49Å
1987	S	65.5	Low	61.8	Low	81 Å²	81	86.3 Å²	86.3	57%	0.566	47%	0.474	S	S	*	.			trans	-64.1	126.4	-176.1	-176.1	0	0	0	0	112.3	H1964 R1989	H1964-S1987 PolarHBondContact NE2-O 2.66Å; S1987-R1989 PolarHBondContact O-N 3.44Å; S1987-R1989 VanDerWaalsContact O-N 3.12Å
1988	S	58.6	Low	59.1	Low	70 Å²	70	83.4 Å²	83.4	49%	0.49	46%	0.463	S	S	.	.			trans	-84.4	38.3	179.8	65.6	0	0	0	0	113.3	K1986	K1986-S1988 PolarHBondContact O-N 3.49Å
1989	R	61.1	Low	56.3	Low	198 Å²	198	87.5 Å²	87.5	75%	0.747	49%	0.486	S	S	*	.			trans	-76.6	148.9	160.9	-73.6	-171.6	178.2	-174.2	-0.5	108.7	N1963 S1987	N1963-R1989 PolarHBondContact OD1-O 3.12Å; S1987-R1989 PolarHBondContact O-N 3.44Å; S1987-R1989 VanDerWaalsContact O-N 3.12Å
1990	I	66	Low	53.9	Low	30 Å²	30	91.9 Å²	91.9	15%	0.154	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.2	-170.8	-70.6	166	0	0	0	106.8	F1960 N1963 S1972 V1975 K1976	F1960-I1990 HydrophobicContact CB-CG2 3.72Å; F1960-I1990 HydrophobicContact CD1-CG2 3.79Å; F1960-I1990 HydrophobicContact CG-CG2 4.19Å; N1963-I1990 WeakPolarHBondContact OD1-CA 3.44Å; S1972-I1990 VanDerWaalsContact O-CD1 3.24Å; S1972-I1990 WeakPolarHBondContact O-CD1 3.34Å; S1972-I1990 WeakPolarHBondContact OG-CD1 3.44Å; V1975-I1990 HydrophobicContact CB-CD1 3.79Å; V1975-I1990 HydrophobicContact CB-CG1 4.15Å; V1975-I1990 HydrophobicContact CB-CG2 4.35Å; V1975-I1990 HydrophobicContact CG1-CD1 3.99Å; V1975-I1990 HydrophobicContact CG1-CG1 3.79Å; V1975-I1990 HydrophobicContact CG1-CG2 4.14Å; K1976-I1990 HydrophobicContact CB-CD1 4.21Å; K1976-I1990 HydrophobicContact CD-CD1 3.75Å; K1976-I1990 HydrophobicContact CG-CD1 3.62Å
1991	L	62.6	Low	51.5	Low	95 Å²	95	87.6 Å²	87.6	50%	0.497	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	149.4	173	-68.7	165.4	0	0	0	110.5	F1960 K1961 N1963	F1960-L1991 CarbonylContact C-O 3.56Å; F1960-L1991 VanDerWaalsContact CA-O 3.27Å; F1960-L1991 WeakPolarHBondContact CA-O 3.24Å; K1961-L1991 PolarHBondContact N-O 3.13Å; K1961-L1991 PolarHBondContact O-N 3.46Å; N1963-L1991 PolarHBondContact OD1-N 2.84Å
1992	T	53.8	Low	49.1	Very low	67 Å²	67	90.8 Å²	90.8	41%	0.411	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127.7	174.9	-38.3	0	0	0	0	106.1	F1960	F1960-T1992 HydrophobicContact CD1-CG2 3.85Å; F1960-T1992 WeakPolarHBondContact CD1-OG1 3.42Å; F1960-T1992 HydrophobicContact CE1-CG2 3.62Å; F1960-T1992 VanDerWaalsContact CE1-OG1 3.3Å; F1960-T1992 WeakPolarHBondContact CE1-OG1 3.37Å; F1960-T1992 HydrophobicContact CZ-CG2 4.14Å
1993	M	47.3	Very low	47	Very low	80 Å²	80	91.4 Å²	91.4	39%	0.394	50%	0.501	S	S	.	.			trans	-90	139.5	178.6	-57.6	-55.2	-63.7	0	0	110.4	T1958 C1959	T1958-M1993 WeakPolarHBondContact CA-O 3.29Å; T1958-M1993 PolarHBondContact N-O 3.25Å; C1959-M1993 PolarHBondContact O-N 3.2Å
1994	T	36.4	Very low	44.8	Very low	90 Å²	90	94.1 Å²	94.1	55%	0.552	51%	0.51	S	S	*	.			trans	-157.5	127.4	-176.2	50.5	0	0	0	0	109.8	T1958	T1958-T1994 HydrophobicContact CG2-CG2 4.31Å
1995	G	29.2	Very low	43.6	Very low	6 Å²	6	94.5 Å²	94.5	6%	0.062	50%	0.502	C	S	.	.			trans	-52	156.5	-173.2	0	0	0	0	0	121.7	D1807 R1808 E1957	D1807-G1995 WeakPolarHBondContact OD1-CA 3.01Å; D1807-G1995 PolarHBondContact OD1-N 3.15Å; R1808-G1995 PolarHBondContact NH1-O 3.3Å; R1808-G1995 VanDerWaalsContact NH2-N 3.16Å; R1808-G1995 PolarHBondContact NH2-O 3.13Å; E1957-G1995 PolarHBondContact OE2-N 2.81Å
1996	D	26.3	Very low	41.8	Very low	98 Å²	98	93.6 Å²	93.6	52%	0.524	48%	0.479	S	S	.	.				-157.4	144.6	124.6	-99.6	-52.8	0	0	0	113.7	D1807 R1808 K1810	D1807-D1996 CarbonylContact C-O 3.6Å; R1808-D1996 VanDerWaalsContact CB-CA 3.48Å; R1808-D1996 IonicContact CZ-OD1 3.35Å; R1808-D1996 VanDerWaalsContact N-C 3.33Å; R1808-D1996 PolarHBondContact N-O 2.99Å; R1808-D1996 VanDerWaalsContact N-O 3.15Å; R1808-D1996 IonicContact NH1-OD1 2.98Å; R1808-D1996 PolarHBondContact NH1-OD1 3.37Å; R1808-D1996 IonicContact NH1-OD2 2.74Å; R1808-D1996 PolarHBondContact NH1-OD2 2.67Å; K1810-D1996 IonicContact NZ-OD1 2.67Å
1997	E	28.2	Very low	40	Very low	120 Å²	120	97.8 Å²	97.8	56%	0.561	49%	0.491	S	S	*	.			trans	80.7	122.9	169.9	-37.6	-131.1	115	0	0	121.4	R1808 D1809 K1810	R1808-E1997 CarbonylContact C-O 3.29Å; R1808-E1997 WeakPolarHBondContact CA-O 3.39Å; R1808-E1997 PolarHBondContact N-O 3.11Å; D1809-E1997 VanDerWaalsContact C-CA 3.45Å; D1809-E1997 PolarHBondContact N-O 3.35Å; D1809-E1997 VanDerWaalsContact O-CA 3.29Å; D1809-E1997 WeakPolarHBondContact O-CA 3.3Å; D1809-E1997 PolarHBondContact O-N 3.21Å; K1810-E1997 IonicContact NZ-OE1 3.06Å; K1810-E1997 PolarHBondContact NZ-OE1 2.73Å
1998	N	24.4	Very low	38.3	Very low	86 Å²	86	97.3 Å²	97.3	46%	0.46	49%	0.487	S	S	.	.			trans	-104.8	123.8	-176.5	-114.8	-51	0	0	0	106.5	R1808 D1809 K1810	R1808-N1998 WeakPolarHBondContact O-CA 3.1Å; R1808-N1998 WeakPolarHBondContact O-CB 3.37Å; R1808-N1998 PolarHBondContact O-ND2 3.1Å; R1808-N1998 VanDerWaalsContact O-ND2 3.13Å; R1808-N1998 PolarHBondContact O-OD1 2.68Å; D1809-N1998 PolarHBondContact OD1-ND2 3.33Å; K1810-N1998 CarbonylContact C-O 3.02Å; K1810-N1998 VanDerWaalsContact N-N 3.2Å
1999	D	27.1	Very low	37	Very low	121 Å²	121	102.5 Å²	102.5	65%	0.647	50%	0.501	S	S	*	.			trans	-179.5	60.8	142.5	-93.6	-34	0	0	0	110.8	L2003	D1999-L2003 WeakPolarHBondContact O-CD1 3.21Å
2000	D	30.5	Very low	35.5	Very low	96 Å²	96	97.6 Å²	97.6	51%	0.513	50%	0.495	S	S	.	.			trans	-135.5	39.9	-172.7	-154	-4.5	0	0	0	114.4	R1803 L2003	R1803-D2000 PolarHBondContact NH2-O 2.95Å; D2000-L2003 WeakPolarHBondContact OD1-CB 3.24Å
2001	L	30.6	Very low	33.7	Very low	121 Å²	121	104.5 Å²	104.5	63%	0.634	53%	0.527	S	S	*	.	S	Bend	trans	-116.7	-18.1	170	-164.1	58.9	0	0	0	114
2002	E	29.3	Very low	32.1	Very low	125 Å²	125	107.7 Å²	107.7	58%	0.584	53%	0.532	S	S	*	.	S	Bend	trans	-78.1	-45.6	165.9	-73.6	-67.6	99.3	0	0	111.2	W2004 K2005 T2006	E2002-W2004 PolarHBondContact O-N 3.48Å; E2002-W2004 VanDerWaalsContact O-N 3.12Å; E2002-K2005 WeakPolarHBondContact O-CA 3.46Å; E2002-K2005 WeakPolarHBondContact O-CB 3.31Å; E2002-K2005 PolarHBondContact O-N 2.81Å; E2002-K2005 WeakPolarHBondContact OE1-CE 3.34Å; E2002-K2005 IonicContact OE1-NZ 3.7Å; E2002-K2005 PolarHBondContact OE1-NZ 2.86Å; E2002-T2006 PolarHBondContact O-N 2.79Å
2003	L	33.1	Very low	31.2	Very low	98 Å²	98	110.8 Å²	110.8	51%	0.513	55%	0.547	S	S	.	.	H	α-helix	trans	-59.1	-25.6	178.7	-82.9	97.5	0	0	0	113.7	D1999 D2000 T2006 W2007	D1999-L2003 WeakPolarHBondContact O-CD1 3.21Å; D2000-L2003 WeakPolarHBondContact OD1-CB 3.24Å; L2003-T2006 WeakPolarHBondContact CA-OG1 3.48Å; L2003-T2006 PolarHBondContact O-OG1 3.44Å; L2003-W2007 PolarHBondContact O-N 3.44Å
2004	W	31.6	Very low	30.3	Very low	84 Å²	84	111.1 Å²	111.1	32%	0.318	55%	0.553	S	S	.	*	H	α-helix	trans	-79.5	-15.4	174.1	-118.3	74.8	0	0	0	114.4	L1802 R1803 E2002 C2008	L1802-W2004 HydrophobicContact CD2-CE3 4.03Å; L1802-W2004 HydrophobicContact CD2-CH2 3.68Å; L1802-W2004 HydrophobicContact CD2-CZ3 3.4Å; L1802-W2004 HydrophobicContact CG-CH2 4.37Å; L1802-W2004 HydrophobicContact CG-CZ3 4.26Å; R1803-W2004 HydrophobicContact CB-CH2 4.41Å; R1803-W2004 HydrophobicContact CB-CZ2 4.2Å; R1803-W2004 HydrophobicContact CG-CZ2 4.03Å; R1803-W2004 VanDerWaalsContact CZ-CD2 3.49Å; R1803-W2004 VanDerWaalsContact NH2-CG 3.35Å; E2002-W2004 PolarHBondContact O-N 3.48Å; E2002-W2004 VanDerWaalsContact O-N 3.12Å; W2004-C2008 PolarHBondContact O-SG 2.86Å; W2004-C2008 VanDerWaalsContact O-SG 3.36Å
2005	K	34	Very low	29.8	Very low	107 Å²	107	111.4 Å²	111.4	47%	0.465	55%	0.545	S	S	.	.	H	α-helix	trans	-81.9	-43.5	171	-60.2	171.2	-171.8	171.3	0	110.3	E2002 W2007 C2008	E2002-K2005 WeakPolarHBondContact O-CA 3.46Å; E2002-K2005 WeakPolarHBondContact O-CB 3.31Å; E2002-K2005 PolarHBondContact O-N 2.81Å; E2002-K2005 WeakPolarHBondContact OE1-CE 3.34Å; E2002-K2005 IonicContact OE1-NZ 3.7Å; E2002-K2005 PolarHBondContact OE1-NZ 2.86Å; K2005-W2007 VanDerWaalsContact C-N 3.27Å; K2005-W2007 PolarHBondContact O-N 3.28Å; K2005-C2008 PolarHBondContact O-N 2.9Å
2006	T	34.3	Very low	30.2	Very low	69 Å²	69	117.9 Å²	117.9	42%	0.423	58%	0.575	S	S	.	*	H	α-helix	trans	-63.3	-32.9	178.6	58.3	0	0	0	0	112.1	E2002 L2003 C2008	E2002-T2006 PolarHBondContact O-N 2.79Å; L2003-T2006 WeakPolarHBondContact CA-OG1 3.48Å; L2003-T2006 PolarHBondContact O-OG1 3.44Å; T2006-C2008 VanDerWaalsContact C-N 3.27Å; T2006-C2008 PolarHBondContact O-N 3.14Å
2007	W	29.4	Very low	30.4	Very low	211 Å²	211	117.7 Å²	117.7	80%	0.799	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-9.3	172.7	-85.8	13.2	0	0	0	116	L2003 K2005	L2003-W2007 PolarHBondContact O-N 3.44Å; K2005-W2007 VanDerWaalsContact C-N 3.27Å; K2005-W2007 PolarHBondContact O-N 3.28Å
2008	C	30.2	Very low	30.3	Very low	72 Å²	72	114.7 Å²	114.7	49%	0.486	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.2	-43.3	174.9	-67	0	0	0	0	112.5	W2004 K2005 T2006	W2004-C2008 PolarHBondContact O-SG 2.86Å; W2004-C2008 VanDerWaalsContact O-SG 3.36Å; K2005-C2008 PolarHBondContact O-N 2.9Å; T2006-C2008 VanDerWaalsContact C-N 3.27Å; T2006-C2008 PolarHBondContact O-N 3.14Å
2009	F	31.1	Very low	30.3	Very low	178 Å²	178	115.2 Å²	115.2	78%	0.781	57%	0.568	S	S	*	*			trans	-149.7	94.6	-175.7	-63.4	-75.6	0	0	0	111.3
2010	P	30.6	Very low	30.4	Very low	95 Å²	95	112.7 Å²	112.7	62%	0.617	56%	0.564	S	S	*	*			trans	-82.9	-36	-168.1	-15.6	30.8	0	0	0	116.6	W2012	P2010-W2012 PolarHBondContact O-N 3.31Å
2011	E	27.1	Very low	30.2	Very low	175 Å²	175	111.6 Å²	111.6	82%	0.818	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-88.4	-3.5	-159.8	-63.8	-175.1	154.5	0	0	115.7	N2013	E2011-N2013 VanDerWaalsContact C-N 3.34Å
2012	W	29.6	Very low	30	Very low	162 Å²	162	107.6 Å²	107.6	61%	0.614	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-83.5	-11.5	178.8	-142.5	58.1	0	0	0	113.5	P2010 T2014	P2010-W2012 PolarHBondContact O-N 3.31Å; W2012-T2014 VanDerWaalsContact C-N 3.32Å; W2012-T2014 PolarHBondContact O-N 2.99Å
2013	N	35.5	Very low	29.7	Very low	133 Å²	133	111 Å²	111	71%	0.711	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-83.4	1.9	-172.2	-114.1	35.9	0	0	0	114.8	E2011	E2011-N2013 VanDerWaalsContact C-N 3.34Å
2014	T	28.7	Very low	29.6	Very low	87 Å²	87	112.4 Å²	112.4	53%	0.534	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.3	-29.1	176.1	27.7	0	0	0	0	114.2	W2012 M2016	W2012-T2014 VanDerWaalsContact C-N 3.32Å; W2012-T2014 PolarHBondContact O-N 2.99Å; T2014-M2016 VanDerWaalsContact C-N 3.27Å; T2014-M2016 PolarHBondContact O-N 3.15Å
2015	Y	25.1	Very low	29.4	Very low	96 Å²	96	111.3 Å²	111.3	38%	0.376	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-62.5	-36	-179.7	-166.5	-169.4	0	0	0	113	Q1914 S1915 L1916 S2017	Q1914-Y2015 VanDerWaalsContact N-CD2 3.26Å; Q1914-Y2015 WeakPolarHBondContact O-CA 3.34Å; Q1914-Y2015 PolarHBondContact O-N 2.95Å; S1915-Y2015 VanDerWaalsContact CA-CD1 3.42Å; S1915-Y2015 VanDerWaalsContact CA-CG 3.41Å; L1916-Y2015 HydrophobicContact CG-CE1 4.33Å; Y2015-S2017 PolarHBondContact O-N 2.91Å
2016	M	37.8	Very low	28.9	Very low	142 Å²	142	114.7 Å²	114.7	70%	0.7	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-88.9	5.2	-168.2	-86.9	-111.8	54.1	0	0	115	T2014	T2014-M2016 VanDerWaalsContact C-N 3.27Å; T2014-M2016 PolarHBondContact O-N 3.15Å
2017	S	29.8	Very low	28.8	Very low	93 Å²	93	119 Å²	119	65%	0.65	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-86.3	-7.6	173.5	-65.1	0	0	0	0	113.6	Y2015	Y2015-S2017 PolarHBondContact O-N 2.91Å
2018	E	25.5	Very low	28.5	Very low	58 Å²	58	117.3 Å²	117.3	27%	0.271	60%	0.604	S	S	.	*	S	Bend	trans	-137.8	14.3	-150.2	-82	-177.9	-45.9	0	0	115	A1912 S1913	A1912-E2018 VanDerWaalsContact C-CD 3.47Å; A1912-E2018 VanDerWaalsContact C-OE2 3.25Å; A1912-E2018 WeakPolarHBondContact CA-OE2 3.06Å; A1912-E2018 PolarHBondContact N-OE2 2.92Å; S1913-E2018 VanDerWaalsContact C-OE1 3.26Å; S1913-E2018 WeakPolarHBondContact CA-OE1 3.45Å; S1913-E2018 PolarHBondContact N-OE1 3.49Å; S1913-E2018 PolarHBondContact N-OE2 3.47Å
2019	M	24.8	Very low	28.2	Very low	97 Å²	97	121.9 Å²	121.9	48%	0.478	62%	0.618	S	S	.	*			trans	-135	92.6	153.9	-75.5	-163.8	78.9	0	0	109.6	E1762	E1762-M2019 HydrophobicContact CB-CE 3.79Å; E1762-M2019 HydrophobicContact CG-CB 4.21Å; E1762-M2019 HydrophobicContact CG-CE 4Å
2020	A	30.6	Very low	28	Very low	67 Å²	67	119.6 Å²	119.6	55%	0.554	61%	0.614	S	S	*	*			trans	-141.1	142.1	158.5	0	0	0	0	0	107.2	E1762	E1762-A2020 WeakPolarHBondContact OE1-CA 3.44Å
2021	D	25.3	Very low	27.8	Very low	74 Å²	74	122.7 Å²	122.7	40%	0.396	62%	0.62	S	S	.	*	S	Bend	trans	103.4	56	-175.6	-61	-14.5	0	0	0	116.8	E1762 T1909	E1762-D2021 PolarHBondContact N-O 2.82Å; E1762-D2021 PolarHBondContact OE1-N 2.63Å; T1909-D2021 WeakPolarHBondContact CB-OD2 3.29Å; T1909-D2021 WeakPolarHBondContact CG2-OD2 3.02Å; T1909-D2021 PolarHBondContact OG1-OD2 3.26Å
2022	A	27.5	Very low	27.7	Very low	37 Å²	37	123 Å²	123	31%	0.306	62%	0.621	S	S	.	*	S	Bend	trans	161.6	108.9	138.3	0	0	0	0	0	116.4	E1762	E1762-A2022 HydrophobicContact CB-CB 4.2Å; E1762-A2022 PolarHBondContact OE1-N 3.15Å
2023	E	22.9	Very low	27.4	Very low	195 Å²	195	118.9 Å²	118.9	91%	0.911	62%	0.622	S	S	*	*			trans	69.5	89	143.7	-59.5	-176.3	173.3	0	0	120.2
2024	L	29.9	Very low	26.9	Very low	128 Å²	128	119.5 Å²	119.5	67%	0.67	63%	0.625	S	S	*	*			trans	-143.8	117.7	143.8	-146.9	176.3	0	0	0	109.7
2025	D	26.8	Very low	26.8	Very low	61 Å²	61	121.5 Å²	121.5	33%	0.326	63%	0.632	S	S	.	*			trans	167.3	40.6	147.1	-90.1	-10.5	0	0	0	111.8	N2421	D2025-N2421 HydrophobicContact CB-CB 3.32Å; D2025-N2421 WeakPolarHBondContact OD2-CB 3Å
2026	E	23.6	Very low	26.8	Very low	178 Å²	178	120.1 Å²	120.1	83%	0.832	63%	0.632	S	S	*	*			trans	-97.9	107	137	-89.3	-167.9	157.3	0	0	106.9	L2420	E2026-L2420 HydrophobicContact CG-CD1 4.3Å
2027	L	32.3	Very low	26.2	Very low	159 Å²	159	120.2 Å²	120.2	83%	0.832	63%	0.63	S	S	*	*			trans	-154.6	150.3	155.7	-111.8	175.2	0	0	0	108.4
2028	E	24.7	Very low	26	Very low	176 Å²	176	118.2 Å²	118.2	82%	0.822	61%	0.612	S	S	*	*			trans	-101.9	-171.9	-168.5	-63.8	177.2	104.1	0	0	111.8
2029	E	23.9	Very low	26	Very low	168 Å²	168	117.8 Å²	117.8	79%	0.785	62%	0.619	S	S	*	*			trans	88.1	141.7	142.7	-104.9	176.2	-170.3	0	0	121.5
2030	L	24.9	Very low	26	Very low	130 Å²	130	114.3 Å²	114.3	68%	0.681	60%	0.601	S	S	*	*			trans	74.3	129.2	161.4	-57.3	174.2	0	0	0	121
2031	E	27.1	Very low	25.6	Very low	160 Å²	160	113.4 Å²	113.4	75%	0.748	59%	0.587	S	S	*	*			trans	60	135.6	133.4	-63.9	167.5	-169.6	0	0	119.9
2032	E	24.8	Very low	25.4	Very low	181 Å²	181	112.2 Å²	112.2	85%	0.846	58%	0.58	S	S	*	*			cis	-156	-173.3	-6.9	-134.1	-178.4	-170	0	0	110
2033	A	23.3	Very low	25.3	Very low	76 Å²	76	112.7 Å²	112.7	63%	0.628	58%	0.583	S	S	*	*			trans	-34.6	156.9	-174.5	0	0	0	0	0	121.1
2034	D	26.5	Very low	25.3	Very low	147 Å²	147	107.3 Å²	107.3	79%	0.786	57%	0.567	S	S	*	*			trans	66.5	148.2	159.6	-51.1	-18	0	0	0	116.6
2035	D	26.7	Very low	25	Very low	128 Å²	128	104.7 Å²	104.7	68%	0.684	56%	0.556	S	S	*	*			cis	-150.2	147.2	8	-129.7	-4.1	0	0	0	109
2036	D	24	Very low	24.8	Very low	68 Å²	68	105.8 Å²	105.8	36%	0.364	57%	0.574	S	S	.	*			trans	33.9	117.4	147.1	-69.6	-2.9	0	0	0	120	A1618 N1619 A1621	A1618-D2036 WeakPolarHBondContact CB-OD2 3.23Å; N1619-D2036 HydrophobicContact CB-CB 3.85Å; N1619-D2036 WeakPolarHBondContact CB-OD2 3.45Å; N1619-D2036 PolarHBondContact OD1-OD1 2.81Å; N1619-D2036 PolarHBondContact OD1-OD2 3.41Å; A1621-D2036 HydrophobicContact CB-CB 4.03Å; A1621-D2036 WeakPolarHBondContact CB-O 3.28Å
2037	E	25.1	Very low	24.8	Very low	143 Å²	143	103 Å²	103	67%	0.668	57%	0.574	S	S	*	*				51.5	114.6	69	-161.6	-167.5	-75.4	0	0	112.7	N1619	N1619-E2037 WeakPolarHBondContact CB-O 3.47Å; N1619-E2037 VanDerWaalsContact ND2-CG 3.29Å; N1619-E2037 WeakPolarHBondContact ND2-CG 3.19Å; N1619-E2037 PolarHBondContact ND2-O 3.18Å; N1619-E2037 PolarHBondContact ND2-OE2 3.41Å; N1619-E2037 VanDerWaalsContact OD1-CB 3.24Å; N1619-E2037 WeakPolarHBondContact OD1-CB 3.49Å; N1619-E2037 PolarHBondContact OD1-OE2 2.81Å
2038	D	25.3	Very low	24.6	Very low	51 Å²	51	98.8 Å²	98.8	27%	0.273	56%	0.562	S	S	.	*				-170.2	140.2	111.8	-144.9	-24.9	0	0	0	112.6	K1406 N1619	K1406-D2038 IonicContact NZ-OD1 2.68Å; K1406-D2038 PolarHBondContact NZ-OD1 2.88Å; K1406-D2038 IonicContact NZ-OD2 3.91Å; K1406-D2038 PolarHBondContact NZ-OD2 3.27Å; N1619-D2038 HydrophobicContact CB-CB 3.92Å; N1619-D2038 PolarHBondContact N-OD2 3.4Å; N1619-D2038 WeakPolarHBondContact ND2-CB 3.38Å; N1619-D2038 PolarHBondContact ND2-OD1 2.83Å; N1619-D2038 PolarHBondContact ND2-OD2 3.13Å; N1619-D2038 VanDerWaalsContact ND2-OD2 3.11Å
2039	A	26.4	Very low	24.5	Very low	49 Å²	49	98.3 Å²	98.3	41%	0.405	57%	0.565	S	S	.	*			trans	-46.8	139.5	155.6	0	0	0	0	0	112.2
2040	E	24.1	Very low	24.5	Very low	24 Å²	24	94 Å²	94	11%	0.112	57%	0.566	C	S	.	*				-175.9	124.4	81.9	-102.2	-162.7	130	0	0	110.9	L1402 R1405 K1406	L1402-E2040 WeakPolarHBondContact CA-OE2 3.49Å; L1402-E2040 HydrophobicContact CB-CB 3.9Å; L1402-E2040 WeakPolarHBondContact CB-OE2 3.41Å; L1402-E2040 HydrophobicContact CD1-CB 3.67Å; L1402-E2040 WeakPolarHBondContact CD1-O 3.46Å; L1402-E2040 HydrophobicContact CD2-CB 3.71Å; L1402-E2040 WeakPolarHBondContact CD2-O 2.98Å; L1402-E2040 HydrophobicContact CG-CB 3.84Å; R1405-E2040 WeakPolarHBondContact CB-OE1 3.19Å; R1405-E2040 WeakPolarHBondContact CD-OE1 3.34Å; R1405-E2040 WeakPolarHBondContact CG-OE1 3.24Å; R1405-E2040 IonicContact NE-OE1 2.66Å; R1405-E2040 PolarHBondContact NE-OE1 3.45Å; R1405-E2040 VanDerWaalsContact NE-OE1 3.13Å; K1406-E2040 WeakPolarHBondContact CG-OE2 3.32Å
2041	D	22.5	Very low	24.4	Very low	49 Å²	49	92.8 Å²	92.8	26%	0.262	58%	0.575	S	S	.	*				61.2	145.5	117.5	-99.1	-56.3	0	0	0	124.2	L1402 R1405 R1416	L1402-D2041 HydrophobicContact CD2-CB 4.29Å; L1402-D2041 WeakPolarHBondContact CD2-O 3.47Å; R1405-D2041 IonicContact CZ-OD1 3.45Å; R1405-D2041 IonicContact CZ-OD2 2.91Å; R1405-D2041 IonicContact NE-OD2 3.26Å; R1405-D2041 PolarHBondContact NE-OD2 2.95Å; R1405-D2041 VanDerWaalsContact NE-OD2 3.09Å; R1405-D2041 IonicContact NH1-OD1 3.33Å; R1405-D2041 IonicContact NH2-OD1 3.49Å; R1405-D2041 PolarHBondContact NH2-OD1 3.48Å; R1405-D2041 IonicContact NH2-OD2 2.77Å; R1405-D2041 PolarHBondContact NH2-OD2 3.32Å; R1416-D2041 IonicContact CZ-OD1 2.76Å; R1416-D2041 IonicContact NH1-OD1 3.83Å; R1416-D2041 PolarHBondContact NH1-OD1 2.88Å; R1416-D2041 IonicContact NH1-OD2 2.78Å; R1416-D2041 PolarHBondContact NH1-OD2 2.9Å; R1416-D2041 IonicContact NH2-OD1 3.47Å
2042	E	22.1	Very low	24.3	Very low	49 Å²	49	89.2 Å²	89.2	23%	0.229	57%	0.573	C	S	.	*			trans	81.4	161.5	143	-66.9	-70.5	-161.9	0	0	122.4	E1348 R1405	E1348-E2042 HydrophobicContact CB-CB 4.19Å; E1348-E2042 HydrophobicContact CB-CG 3.87Å; E1348-E2042 HydrophobicContact CG-CB 3.62Å; E1348-E2042 HydrophobicContact CG-CG 3.83Å; E1348-E2042 PolarHBondContact N-OE1 3.14Å; R1405-E2042 IonicContact CZ-OE1 2.67Å; R1405-E2042 IonicContact NH1-OE1 2.86Å; R1405-E2042 PolarHBondContact NH1-OE1 3.35Å
2043	A	24	Very low	24.2	Very low	46 Å²	46	87.8 Å²	87.8	38%	0.38	57%	0.57	S	S	.	*				-136.4	172.6	-114.2	0	0	0	0	0	118.2	E1348 R1352	E1348-A2043 PolarHBondContact OE1-N 3.45Å; E1348-A2043 PolarHBondContact OE2-N 3.26Å; R1352-A2043 PolarHBondContact NH2-O 3.32Å
2044	S	23.4	Very low	24.5	Very low	83 Å²	83	92.2 Å²	92.2	58%	0.58	58%	0.575	S	S	*	*			trans	79.5	121.9	159.5	75.5	0	0	0	0	119.6
2045	V	22.8	Very low	24.4	Very low	72 Å²	72	96.4 Å²	96.4	44%	0.436	58%	0.58	S	S	.	*				-167.2	132.4	124.3	140.5	0	0	0	0	110.4	E1371	E1371-V2045 HydrophobicContact CB-CG2 3.7Å; E1371-V2045 HydrophobicContact CG-CG2 4.48Å
2046	A	23.9	Very low	24.3	Very low	85 Å²	85	93.2 Å²	93.2	70%	0.702	58%	0.577	S	S	*	*			trans	64.5	147.5	174	0	0	0	0	0	115.9
2047	S	24	Very low	24.5	Very low	118 Å²	118	93.9 Å²	93.9	83%	0.825	59%	0.587	S	S	*	*			cis	-160.5	166.6	5.9	-125.7	0	0	0	0	108.8
2048	A	26.5	Very low	24.9	Very low	71 Å²	71	89.4 Å²	89.4	59%	0.587	57%	0.572	S	S	*	*			cis	-158.2	-177.6	0.2	0	0	0	0	0	110.8
2049	N	23.8	Very low	25.5	Very low	167 Å²	167	91.6 Å²	91.6	89%	0.893	60%	0.597	S	S	*	*			trans	45.8	75.5	148.5	-61.4	-8.7	0	0	0	119
2050	G	23.5	Very low	26.4	Very low	78 Å²	78	90.4 Å²	90.4	80%	0.804	59%	0.585	S	S	*	*			trans	-151.4	152.5	168.5	0	0	0	0	0	112.4
2051	A	22.7	Very low	27.2	Very low	103 Å²	103	92.2 Å²	92.2	85%	0.851	59%	0.591	S	S	*	*			trans	-96.1	145	-170.1	0	0	0	0	0	115
2052	A	24.2	Very low	28.1	Very low	86 Å²	86	93.6 Å²	93.6	71%	0.711	60%	0.601	S	S	*	*			trans	76.7	136.5	150.5	0	0	0	0	0	121.8
2053	L	24.6	Very low	29.1	Very low	151 Å²	151	97.8 Å²	97.8	79%	0.791	62%	0.624	S	S	*	*			trans	44.7	118	135	-63.2	171.1	0	0	0	119.1
2054	K	28.6	Very low	29.9	Very low	169 Å²	169	98.1 Å²	98.1	74%	0.735	62%	0.624	S	S	*	*			cis	-149.5	167.8	38.1	-77.6	113.3	173.6	-178	0	114.6
2055	R	24.6	Very low	31	Very low	234 Å²	234	99.7 Å²	99.7	88%	0.883	64%	0.642	S	S	*	*			trans	-83.2	128.7	172	-57	162.7	-175.2	151.8	2.7	110.5
2056	G	24.7	Very low	32.3	Very low	61 Å²	61	102.1 Å²	102.1	63%	0.629	65%	0.652	S	S	*	*			trans	-106.2	-18	175.6	0	0	0	0	0	116.2	S2058	G2056-S2058 PolarHBondContact O-N 3.17Å
2057	S	26.8	Very low	33.6	Very low	82 Å²	82	99 Å²	99	57%	0.573	63%	0.629	S	S	*	*			trans	-81.3	86	-173	-152.1	0	0	0	0	112.7
2058	S	35.5	Very low	35.2	Very low	49 Å²	49	96.3 Å²	96.3	34%	0.343	61%	0.608	S	S	.	*			trans	-147.6	33.8	173.9	-86.3	0	0	0	0	114.1	G2056 T2060 R2061	G2056-S2058 PolarHBondContact O-N 3.17Å; S2058-T2060 PolarHBondContact O-N 2.92Å; S2058-R2061 CarbonylContact O-C 3.46Å; S2058-R2061 WeakPolarHBondContact O-CA 3.4Å; S2058-R2061 PolarHBondContact O-N 2.81Å; S2058-R2061 PolarHBondContact OG-NH1 3.08Å
2059	A	36.5	Very low	37.5	Very low	98 Å²	98	97.1 Å²	97.1	81%	0.81	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-17.2	171.6	0	0	0	0	0	114.2
2060	T	45.7	Very low	40	Very low	24 Å²	24	90.4 Å²	90.4	15%	0.147	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-89.6	-7.1	170.7	-17.3	0	0	0	0	113.8	S2058 Y2070 I2071 L2086	S2058-T2060 PolarHBondContact O-N 2.92Å; T2060-Y2070 VanDerWaalsContact O-CA 3.31Å; T2060-Y2070 WeakPolarHBondContact O-CA 3.23Å; T2060-I2071 PolarHBondContact O-N 3.37Å; T2060-L2086 HydrophobicContact CG2-CD2 4.15Å
2061	R	40.8	Very low	42.4	Very low	61 Å²	61	88.7 Å²	88.7	23%	0.23	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	87.3	-177.8	-64.9	-172.3	-165.6	122.8	2.4	111.5	S2058 L2063 P2068 R2069 Y2070 E2151	S2058-R2061 CarbonylContact O-C 3.46Å; S2058-R2061 WeakPolarHBondContact O-CA 3.4Å; S2058-R2061 PolarHBondContact O-N 2.81Å; S2058-R2061 PolarHBondContact OG-NH1 3.08Å; R2061-L2063 PolarHBondContact O-N 3.18Å; R2061-P2068 HydrophobicContact CB-CB 4.48Å; R2061-R2069 WeakPolarHBondContact CA-O 3.37Å; R2061-Y2070 HydrophobicContact CG-CD1 4.19Å; R2061-Y2070 HydrophobicContact CG-CE1 4.09Å; R2061-Y2070 HydrophobicContact CG-CG 4.48Å; R2061-Y2070 PolarHBondContact NE-OH 2.69Å; R2061-Y2070 PolarHBondContact NH2-OH 3.2Å; R2061-E2151 IonicContact CZ-OE2 2.71Å; R2061-E2151 IonicContact NH1-OE2 2.7Å; R2061-E2151 PolarHBondContact NH1-OE2 3.07Å; R2061-E2151 IonicContact NH2-OE2 3.25Å; R2061-E2151 PolarHBondContact NH2-OE2 2.68Å
2062	V	41.8	Very low	45.3	Very low	78 Å²	78	83.8 Å²	83.8	47%	0.473	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	132.1	167.9	174.9	0	0	0	0	109.4	S2064 R2069 I2071	V2062-S2064 PolarHBondContact O-N 2.99Å; V2062-R2069 PolarHBondContact O-N 3.21Å; V2062-I2071 HydrophobicContact CB-CD1 3.92Å; V2062-I2071 HydrophobicContact CG2-CD1 3.49Å; V2062-I2071 VanDerWaalsContact CG2-CD1 3.49Å
2063	L	41.9	Very low	47.7	Very low	138 Å²	138	83.7 Å²	83.7	72%	0.723	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	81.5	172.9	-72.9	168.1	0	0	0	109.6	R2061 P2068	R2061-L2063 PolarHBondContact O-N 3.18Å; L2063-P2068 HydrophobicContact CD2-CB 3.84Å; L2063-P2068 HydrophobicContact CD2-CG 4.28Å
2064	S	40.9	Very low	50.2	Low	53 Å²	53	80.3 Å²	80.3	37%	0.371	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	160.9	163.3	-51.4	0	0	0	0	110.3	V2062 D2066 G2067	V2062-S2064 PolarHBondContact O-N 2.99Å; S2064-D2066 PolarHBondContact O-N 3Å; S2064-D2066 VanDerWaalsContact O-N 3.07Å; S2064-G2067 WeakPolarHBondContact O-CA 3.19Å; S2064-G2067 PolarHBondContact O-N 3.28Å
2065	A	47.5	Very low	52.7	Low	116 Å²	116	75 Å²	75	96%	0.959	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.3	178.2	0	0	0	0	0	114.2	G2067	A2065-G2067 VanDerWaalsContact C-N 3.25Å; A2065-G2067 PolarHBondContact O-N 2.93Å
2066	D	50.3	Low	55.1	Low	122 Å²	122	72 Å²	72	65%	0.652	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-0.3	173.1	-67.1	-32.6	0	0	0	114.7	S2064 R2069	S2064-D2066 PolarHBondContact O-N 3Å; S2064-D2066 VanDerWaalsContact O-N 3.07Å; D2066-R2069 IonicContact OD2-CZ 2.96Å; D2066-R2069 IonicContact OD2-NH2 2.67Å; D2066-R2069 PolarHBondContact OD2-NH2 3.01Å
2067	G	51.1	Low	57.6	Low	21 Å²	21	71.3 Å²	71.3	22%	0.216	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	99.9	177.2	-174.3	0	0	0	0	0	114.7	S2064 A2065 R2069	S2064-G2067 WeakPolarHBondContact O-CA 3.19Å; S2064-G2067 PolarHBondContact O-N 3.28Å; A2065-G2067 VanDerWaalsContact C-N 3.25Å; A2065-G2067 PolarHBondContact O-N 2.93Å; G2067-R2069 PolarHBondContact O-N 3.15Å
2068	P	57.8	Low	59.8	Low	60 Å²	60	70.8 Å²	70.8	39%	0.39	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	120.2	-169.6	25	-33.5	0	0	0	112.9	R2061 L2063	R2061-P2068 HydrophobicContact CB-CB 4.48Å; L2063-P2068 HydrophobicContact CD2-CB 3.84Å; L2063-P2068 HydrophobicContact CD2-CG 4.28Å
2069	R	74.1	Confident	61.5	Low	89 Å²	89	70.5 Å²	70.5	34%	0.336	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133	175.2	-60.7	-178	-177.7	-141.6	10.3	110.5	R2061 V2062 D2066 G2067 I2071 P2078	R2061-R2069 WeakPolarHBondContact CA-O 3.37Å; V2062-R2069 PolarHBondContact O-N 3.21Å; D2066-R2069 IonicContact OD2-CZ 2.96Å; D2066-R2069 IonicContact OD2-NH2 2.67Å; D2066-R2069 PolarHBondContact OD2-NH2 3.01Å; G2067-R2069 PolarHBondContact O-N 3.15Å; R2069-I2071 PolarHBondContact O-N 3.28Å; R2069-P2078 HydrophobicContact CB-CB 4.14Å
2070	Y	76.9	Confident	63.4	Low	25 Å²	25	67.1 Å²	67.1	10%	0.098	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	121.1	172.8	-73	-94.8	0	0	0	110.3	T2060 R2061 V2079 S2080 M2081 A2083 L2086 F2149	T2060-Y2070 VanDerWaalsContact O-CA 3.31Å; T2060-Y2070 WeakPolarHBondContact O-CA 3.23Å; R2061-Y2070 HydrophobicContact CG-CD1 4.19Å; R2061-Y2070 HydrophobicContact CG-CE1 4.09Å; R2061-Y2070 HydrophobicContact CG-CG 4.48Å; R2061-Y2070 PolarHBondContact NE-OH 2.69Å; R2061-Y2070 PolarHBondContact NH2-OH 3.2Å; Y2070-V2079 PolarHBondContact O-N 3.3Å; Y2070-S2080 WeakPolarHBondContact CB-O 3.34Å; Y2070-S2080 PolarHBondContact N-O 3.24Å; Y2070-M2081 WeakPolarHBondContact CE2-O 3.29Å; Y2070-A2083 HydrophobicContact CD1-CB 4.46Å; Y2070-A2083 HydrophobicContact CE1-CB 3.88Å; Y2070-A2083 HydrophobicContact CE2-CB 4.38Å; Y2070-L2086 HydrophobicContact CD1-CD2 4.33Å; Y2070-F2149 HydrophobicContact CD1-CE1 4.06Å; Y2070-F2149 HydrophobicContact CE1-CD1 4.28Å; Y2070-F2149 HydrophobicContact CE1-CE1 4.21Å
2071	I	74.1	Confident	64.8	Low	42 Å²	42	71 Å²	71	22%	0.215	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	136.9	176.1	-61.4	-177.1	0	0	0	109.8	T2060 V2062 R2069 K2076 S2077 P2078 L2086	T2060-I2071 PolarHBondContact O-N 3.37Å; V2062-I2071 HydrophobicContact CB-CD1 3.92Å; V2062-I2071 HydrophobicContact CG2-CD1 3.49Å; V2062-I2071 VanDerWaalsContact CG2-CD1 3.49Å; R2069-I2071 PolarHBondContact O-N 3.28Å; I2071-K2076 WeakPolarHBondContact CG2-O 3.43Å; I2071-S2077 WeakPolarHBondContact CA-O 3.42Å; I2071-P2078 HydrophobicContact CG1-CB 4.32Å; I2071-L2086 WeakPolarHBondContact O-CD2 3.33Å
2072	C	82	Confident	66.5	Low	0 Å²	0	74.6 Å²	74.6	0%	0	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-80	122.7	168.3	178.6	0	0	0	0	110.7	L2074 K2076 S2077 V2079 L2086 H2089 V2090	C2072-L2074 PolarHBondContact O-N 2.89Å; C2072-L2074 PolarHBondContact SG-N 3.3Å; C2072-K2076 WeakPolarHBondContact O-CA 3.43Å; C2072-K2076 PolarHBondContact O-N 3.23Å; C2072-S2077 PolarHBondContact N-O 3.12Å; C2072-V2079 HydrophobicContact CB-CG2 3.77Å; C2072-L2086 VanDerWaalsContact CA-CD1 3.44Å; C2072-L2086 HydrophobicContact CB-CD1 3.45Å; C2072-L2086 VanDerWaalsContact CB-CD1 3.45Å; C2072-H2089 WeakPolarHBondContact CB-NE2 3.48Å; C2072-H2089 PolarHBondContact SG-NE2 3.33Å; C2072-H2089 VanDerWaalsContact SG-NE2 3.45Å; C2072-V2090 HydrophobicContact CB-CG2 4.47Å; C2072-V2090 WeakPolarHBondContact SG-CG2 3.46Å
2073	Q	75.2	Confident	68.2	Low	85 Å²	85	71.7 Å²	71.7	40%	0.397	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.6	177.2	-71.8	175.2	-34.7	0	0	113.9	C2148	Q2073-C2148 PolarHBondContact OE1-SG 3.4Å
2074	L	76.6	Confident	70	Confident	80 Å²	80	69 Å²	69	42%	0.419	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-36.5	-175.2	-57.1	174.7	0	0	0	114.4	C2072 V2090 H2093 M2094	C2072-L2074 PolarHBondContact O-N 2.89Å; C2072-L2074 PolarHBondContact SG-N 3.3Å; L2074-V2090 HydrophobicContact CD1-CG1 3.65Å; L2074-V2090 HydrophobicContact CD1-CG2 4.33Å; L2074-H2093 HydrophobicContact CD1-CB 3.65Å; L2074-M2094 HydrophobicContact CD1-CE 3.81Å; L2074-M2094 HydrophobicContact CD1-SD 4.15Å
2075	C	81.2	Confident	71.9	Confident	56 Å²	56	68.5 Å²	68.5	38%	0.378	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-2.2	170.3	60.3	0	0	0	0	114.1	S2077 H2089 H2093	C2075-S2077 PolarHBondContact O-N 2.89Å; C2075-S2077 PolarHBondContact SG-OG 2.9Å; C2075-H2089 VanDerWaalsContact SG-CE1 3.57Å; C2075-H2089 PolarHBondContact SG-NE2 2.86Å; C2075-H2093 VanDerWaalsContact CB-NE2 3.34Å; C2075-H2093 WeakPolarHBondContact CB-NE2 3.11Å; C2075-H2093 PolarHBondContact N-NE2 3.26Å; C2075-H2093 PolarHBondContact SG-NE2 2.83Å; C2075-H2093 VanDerWaalsContact SG-NE2 3.42Å
2076	K	76.3	Confident	73.6	Confident	171 Å²	171	63 Å²	63	74%	0.743	34%	0.34	S	S	*	.			trans	55.2	15.2	-173.4	-58.4	-174.2	-180	-177.9	0	115	I2071 C2072	I2071-K2076 WeakPolarHBondContact CG2-O 3.43Å; C2072-K2076 WeakPolarHBondContact O-CA 3.43Å; C2072-K2076 PolarHBondContact O-N 3.23Å
2077	S	76.1	Confident	75.2	Confident	47 Å²	47	59.4 Å²	59.4	33%	0.329	32%	0.318	S	S	.	.			trans	-88.3	145.7	179.6	80.7	0	0	0	0	113.3	I2071 C2072 C2075 V2079	I2071-S2077 WeakPolarHBondContact CA-O 3.42Å; C2072-S2077 PolarHBondContact N-O 3.12Å; C2075-S2077 PolarHBondContact O-N 2.89Å; C2075-S2077 PolarHBondContact SG-OG 2.9Å; S2077-V2079 PolarHBondContact O-N 3.09Å
2078	P	74.4	Confident	76.8	Confident	71 Å²	71	60.7 Å²	60.7	46%	0.461	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	97.6	176.8	31	-33.6	0	0	0	111.2	R2069 I2071	R2069-P2078 HydrophobicContact CB-CB 4.14Å; I2071-P2078 HydrophobicContact CG1-CB 4.32Å
2079	V	71	Confident	78	Confident	44 Å²	44	59.7 Å²	59.7	27%	0.267	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-45.2	-167.2	-176.1	0	0	0	0	113.4	Y2070 C2072 S2077 L2086 H2089	Y2070-V2079 PolarHBondContact O-N 3.3Å; C2072-V2079 HydrophobicContact CB-CG2 3.77Å; S2077-V2079 PolarHBondContact O-N 3.09Å; V2079-L2086 HydrophobicContact CB-CD1 4.47Å; V2079-L2086 HydrophobicContact CG2-CD1 3.81Å; V2079-H2089 HydrophobicContact CG1-CB 3.63Å; V2079-H2089 HydrophobicContact CG2-CB 4.29Å
2080	S	76	Confident	78.4	Confident	26 Å²	26	55.7 Å²	55.7	18%	0.182	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	163.5	-166.3	-177.1	0	0	0	0	112.2	Y2070 Y2082 S2085	Y2070-S2080 WeakPolarHBondContact CB-O 3.34Å; Y2070-S2080 PolarHBondContact N-O 3.24Å; S2080-Y2082 PolarHBondContact O-N 2.77Å; S2080-Y2082 PolarHBondContact OG-N 2.85Å; S2080-Y2082 VanDerWaalsContact OG-N 3.11Å; S2080-S2085 VanDerWaalsContact OG-CB 3.27Å; S2080-S2085 WeakPolarHBondContact OG-CB 3.39Å; S2080-S2085 PolarHBondContact OG-OG 3.09Å
2081	M	73.9	Confident	78.8	Confident	105 Å²	105	55.1 Å²	55.1	52%	0.517	30%	0.295	S	S	.	.	S	Bend	trans	-78.2	1.4	165.3	-58.7	-158.5	-47.4	0	0	113.8	Y2070	Y2070-M2081 WeakPolarHBondContact CE2-O 3.29Å
2082	Y	77.6	Confident	79	Confident	138 Å²	138	56.4 Å²	56.4	54%	0.541	30%	0.302	S	S	.	.	S	Bend	trans	-123.2	130.1	-176.8	-57.4	-66.8	0	0	0	113.2	S2080 S2084 S2085 L2086	S2080-Y2082 PolarHBondContact O-N 2.77Å; S2080-Y2082 PolarHBondContact OG-N 2.85Å; S2080-Y2082 VanDerWaalsContact OG-N 3.11Å; Y2082-S2084 VanDerWaalsContact C-N 3.27Å; Y2082-S2084 PolarHBondContact O-N 3.23Å; Y2082-S2085 WeakPolarHBondContact O-CB 3.42Å; Y2082-S2085 PolarHBondContact O-N 2.78Å; Y2082-L2086 PolarHBondContact O-N 2.91Å
2083	A	77.1	Confident	78.7	Confident	17 Å²	17	60 Å²	60	14%	0.14	32%	0.319	C	S	.	.	H	α-helix	trans	-55.3	-39.6	176.4	0	0	0	0	0	113.1	Y2070 S2085 L2086 Y2087 F2149	Y2070-A2083 HydrophobicContact CD1-CB 4.46Å; Y2070-A2083 HydrophobicContact CE1-CB 3.88Å; Y2070-A2083 HydrophobicContact CE2-CB 4.38Å; A2083-S2085 VanDerWaalsContact C-N 3.28Å; A2083-S2085 PolarHBondContact O-N 2.86Å; A2083-L2086 PolarHBondContact O-N 3.22Å; A2083-L2086 VanDerWaalsContact O-N 3.16Å; A2083-Y2087 PolarHBondContact O-N 2.72Å; A2083-F2149 HydrophobicContact CB-CD1 3.64Å; A2083-F2149 HydrophobicContact CB-CE1 3.45Å; A2083-F2149 VanDerWaalsContact CB-CE1 3.45Å; A2083-F2149 HydrophobicContact CB-CZ 4.22Å; A2083-F2149 WeakPolarHBondContact O-CZ 3.2Å
2084	S	79.3	Confident	78.8	Confident	81 Å²	81	59.6 Å²	59.6	57%	0.566	32%	0.318	S	S	*	.	H	α-helix	trans	-60.9	-34.3	177.1	51.3	0	0	0	0	113.1	Y2082 V2088	Y2082-S2084 VanDerWaalsContact C-N 3.27Å; Y2082-S2084 PolarHBondContact O-N 3.23Å; S2084-V2088 WeakPolarHBondContact O-CG2 3.08Å; S2084-V2088 PolarHBondContact O-N 3.08Å
2085	S	81.2	Confident	78.9	Confident	42 Å²	42	61 Å²	61	29%	0.294	33%	0.326	S	S	.	.	H	α-helix	trans	-69.2	-42.3	174	-51.1	0	0	0	0	111.8	S2080 Y2082 A2083 V2088 H2089	S2080-S2085 VanDerWaalsContact OG-CB 3.27Å; S2080-S2085 WeakPolarHBondContact OG-CB 3.39Å; S2080-S2085 PolarHBondContact OG-OG 3.09Å; Y2082-S2085 WeakPolarHBondContact O-CB 3.42Å; Y2082-S2085 PolarHBondContact O-N 2.78Å; A2083-S2085 VanDerWaalsContact C-N 3.28Å; A2083-S2085 PolarHBondContact O-N 2.86Å; S2085-V2088 PolarHBondContact O-N 2.78Å; S2085-H2089 VanDerWaalsContact O-CB 3.31Å; S2085-H2089 WeakPolarHBondContact O-CB 3.49Å; S2085-H2089 PolarHBondContact O-N 2.76Å
2086	L	83.8	Confident	79	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-42	175.3	170.5	59.4	0	0	0	111.1	T2060 Y2070 I2071 C2072 V2079 Y2082 A2083 V2088 H2089 V2090 W2144 F2149	T2060-L2086 HydrophobicContact CG2-CD2 4.15Å; Y2070-L2086 HydrophobicContact CD1-CD2 4.33Å; I2071-L2086 WeakPolarHBondContact O-CD2 3.33Å; C2072-L2086 VanDerWaalsContact CA-CD1 3.44Å; C2072-L2086 HydrophobicContact CB-CD1 3.45Å; C2072-L2086 VanDerWaalsContact CB-CD1 3.45Å; V2079-L2086 HydrophobicContact CB-CD1 4.47Å; V2079-L2086 HydrophobicContact CG2-CD1 3.81Å; Y2082-L2086 PolarHBondContact O-N 2.91Å; A2083-L2086 PolarHBondContact O-N 3.22Å; A2083-L2086 VanDerWaalsContact O-N 3.16Å; L2086-V2088 PolarHBondContact O-N 3.08Å; L2086-H2089 WeakPolarHBondContact O-CB 3.44Å; L2086-H2089 PolarHBondContact O-N 2.86Å; L2086-V2090 HydrophobicContact CD1-CG2 3.98Å; L2086-V2090 PolarHBondContact O-N 3.19Å; L2086-W2144 HydrophobicContact CD1-CH2 4.11Å; L2086-W2144 HydrophobicContact CD2-CH2 4.24Å; L2086-W2144 HydrophobicContact CG-CH2 4.02Å; L2086-F2149 HydrophobicContact CB-CE1 4.18Å; L2086-F2149 HydrophobicContact CB-CZ 3.81Å; L2086-F2149 HydrophobicContact CD2-CE1 3.77Å; L2086-F2149 HydrophobicContact CD2-CZ 3.77Å; L2086-F2149 HydrophobicContact CG-CE1 4.14Å; L2086-F2149 HydrophobicContact CG-CZ 3.67Å
2087	Y	84	Confident	79.4	Confident	48 Å²	48	54.7 Å²	54.7	19%	0.188	29%	0.292	C	S	.	.	H	α-helix	trans	-60.5	-45.3	175.3	-179.9	-125.4	0	0	0	112.5	A2083 H2089 V2090 K2091 V2141 K2145 F2149	A2083-Y2087 PolarHBondContact O-N 2.72Å; Y2087-H2089 VanDerWaalsContact C-N 3.32Å; Y2087-H2089 PolarHBondContact O-N 2.93Å; Y2087-V2090 PolarHBondContact O-N 3.36Å; Y2087-K2091 VanDerWaalsContact CZ-CE 3.46Å; Y2087-K2091 PolarHBondContact O-N 2.82Å; Y2087-K2091 WeakPolarHBondContact OH-CE 3.32Å; Y2087-V2141 HydrophobicContact CE2-CG1 3.87Å; Y2087-K2145 HydrophobicContact CD2-CB 4.16Å; Y2087-K2145 HydrophobicContact CD2-CD 4.39Å; Y2087-K2145 HydrophobicContact CD2-CG 4Å; Y2087-K2145 HydrophobicContact CE1-CD 4.48Å; Y2087-K2145 HydrophobicContact CE2-CB 3.86Å; Y2087-K2145 HydrophobicContact CE2-CD 3.92Å; Y2087-K2145 HydrophobicContact CE2-CG 3.9Å; Y2087-F2149 HydrophobicContact CD2-CE2 4.48Å
2088	V	83.5	Confident	79.8	Confident	47 Å²	47	52.6 Å²	52.6	29%	0.285	28%	0.277	S	S	.	.	H	α-helix	trans	-63.7	-37.8	174.6	165.6	0	0	0	0	111.9	S2084 S2085 L2086 K2091 N2092 V2110	S2084-V2088 WeakPolarHBondContact O-CG2 3.08Å; S2084-V2088 PolarHBondContact O-N 3.08Å; S2085-V2088 PolarHBondContact O-N 2.78Å; L2086-V2088 PolarHBondContact O-N 3.08Å; V2088-K2091 PolarHBondContact O-N 2.92Å; V2088-N2092 PolarHBondContact O-ND2 3.35Å; V2088-V2110 HydrophobicContact CB-CG2 4.36Å; V2088-V2110 HydrophobicContact CG1-CG2 3.5Å; V2088-V2110 VanDerWaalsContact CG1-CG2 3.5Å; V2088-V2110 HydrophobicContact CG2-CG2 3.89Å
2089	H	83.7	Confident	80.6	Confident	40 Å²	40	51.9 Å²	51.9	19%	0.185	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-42.1	176.1	165.6	95.1	0	0	0	111.8	C2072 C2075 V2079 S2085 L2086 Y2087 N2092 H2093	C2072-H2089 WeakPolarHBondContact CB-NE2 3.48Å; C2072-H2089 PolarHBondContact SG-NE2 3.33Å; C2072-H2089 VanDerWaalsContact SG-NE2 3.45Å; C2075-H2089 VanDerWaalsContact SG-CE1 3.57Å; C2075-H2089 PolarHBondContact SG-NE2 2.86Å; V2079-H2089 HydrophobicContact CG1-CB 3.63Å; V2079-H2089 HydrophobicContact CG2-CB 4.29Å; S2085-H2089 VanDerWaalsContact O-CB 3.31Å; S2085-H2089 WeakPolarHBondContact O-CB 3.49Å; S2085-H2089 PolarHBondContact O-N 2.76Å; L2086-H2089 WeakPolarHBondContact O-CB 3.44Å; L2086-H2089 PolarHBondContact O-N 2.86Å; Y2087-H2089 VanDerWaalsContact C-N 3.32Å; Y2087-H2089 PolarHBondContact O-N 2.93Å; H2089-N2092 WeakPolarHBondContact O-CA 3.46Å; H2089-N2092 WeakPolarHBondContact O-CB 3.34Å; H2089-N2092 PolarHBondContact O-N 3.25Å; H2089-N2092 PolarHBondContact O-ND2 2.73Å; H2089-H2093 AromaticContact CD2-CD2 3.93Å; H2089-H2093 AromaticContact NE2-CD2 3.47Å; H2089-H2093 PolarHBondContact NE2-CD2 2.99Å; H2089-H2093 AromaticContact NE2-NE2 3.45Å; H2089-H2093 PolarHBondContact NE2-NE2 3.23Å; H2089-H2093 PolarHBondContact O-N 3.32Å
2090	V	81.6	Confident	81.3	Confident	4 Å²	4	50 Å²	50	2%	0.024	25%	0.254	C	S	.	.	H	α-helix	trans	-75.2	-24.7	178.5	173.4	0	0	0	0	113.9	C2072 L2074 L2086 Y2087 N2092 H2093 M2094 W2144	C2072-V2090 HydrophobicContact CB-CG2 4.47Å; C2072-V2090 WeakPolarHBondContact SG-CG2 3.46Å; L2074-V2090 HydrophobicContact CD1-CG1 3.65Å; L2074-V2090 HydrophobicContact CD1-CG2 4.33Å; L2086-V2090 HydrophobicContact CD1-CG2 3.98Å; L2086-V2090 PolarHBondContact O-N 3.19Å; Y2087-V2090 PolarHBondContact O-N 3.36Å; V2090-N2092 PolarHBondContact O-N 2.9Å; V2090-H2093 HydrophobicContact CG1-CB 4.39Å; V2090-H2093 WeakPolarHBondContact O-CB 3.44Å; V2090-H2093 PolarHBondContact O-N 2.83Å; V2090-M2094 HydrophobicContact CG1-CE 4.33Å; V2090-M2094 HydrophobicContact CG1-CG 4.32Å; V2090-M2094 PolarHBondContact O-N 3Å; V2090-W2144 HydrophobicContact CB-CD2 4.32Å; V2090-W2144 HydrophobicContact CB-CE3 4.01Å; V2090-W2144 HydrophobicContact CB-CH2 3.87Å; V2090-W2144 HydrophobicContact CB-CZ2 4.13Å; V2090-W2144 HydrophobicContact CB-CZ3 3.77Å; V2090-W2144 HydrophobicContact CG1-CD2 3.59Å; V2090-W2144 HydrophobicContact CG1-CE3 3.71Å; V2090-W2144 HydrophobicContact CG1-CG 4.2Å; V2090-W2144 HydrophobicContact CG1-CH2 4.14Å; V2090-W2144 HydrophobicContact CG1-CZ2 3.98Å; V2090-W2144 HydrophobicContact CG1-CZ3 3.98Å; V2090-W2144 HydrophobicContact CG2-CE3 4.41Å; V2090-W2144 HydrophobicContact CG2-CH2 3.36Å; V2090-W2144 HydrophobicContact CG2-CZ2 3.52Å; V2090-W2144 HydrophobicContact CG2-CZ3 3.82Å
2091	K	85.4	Confident	82.1	Confident	13 Å²	13	49 Å²	49	6%	0.057	25%	0.248	C	C	.	.	H	α-helix	trans	-59.1	-24.8	162.9	-69.9	-154.5	174.5	-144.8	0	112.9	Y2087 V2088 N2095 Y2096 P2109 V2141	Y2087-K2091 VanDerWaalsContact CZ-CE 3.46Å; Y2087-K2091 PolarHBondContact O-N 2.82Å; Y2087-K2091 WeakPolarHBondContact OH-CE 3.32Å; V2088-K2091 PolarHBondContact O-N 2.92Å; K2091-N2095 CarbonylContact O-C 3.29Å; K2091-Y2096 HydrophobicContact CD-CD1 3.98Å; K2091-Y2096 HydrophobicContact CG-CD1 4.37Å; K2091-Y2096 VanDerWaalsContact NZ-CE1 3.3Å; K2091-Y2096 PolarHBondContact O-N 3.02Å; K2091-P2109 HydrophobicContact CB-CB 3.52Å; K2091-P2109 HydrophobicContact CB-CG 4.44Å; K2091-P2109 HydrophobicContact CD-CB 3.99Å; K2091-P2109 HydrophobicContact CG-CB 4.39Å; K2091-V2141 HydrophobicContact CG-CG1 4.22Å
2092	N	78.8	Confident	82.7	Confident	70 Å²	70	45.7 Å²	45.7	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-74.5	-40.7	170	-49.3	-49.8	0	0	0	111.9	V2088 H2089 V2090 M2094 N2095 P2109	V2088-N2092 PolarHBondContact O-ND2 3.35Å; H2089-N2092 WeakPolarHBondContact O-CA 3.46Å; H2089-N2092 WeakPolarHBondContact O-CB 3.34Å; H2089-N2092 PolarHBondContact O-N 3.25Å; H2089-N2092 PolarHBondContact O-ND2 2.73Å; V2090-N2092 PolarHBondContact O-N 2.9Å; N2092-M2094 PolarHBondContact O-N 3.23Å; N2092-N2095 WeakPolarHBondContact O-CA 3.42Å; N2092-N2095 PolarHBondContact O-N 3.12Å; N2092-P2109 WeakPolarHBondContact OD1-CG 3.31Å
2093	H	76.8	Confident	83.1	Confident	76 Å²	76	42.2 Å²	42.2	35%	0.352	23%	0.229	S	C	.	.	H	α-helix	trans	-56.6	-47.9	176.5	-93.9	-78.3	0	0	0	112.2	L2074 C2075 H2089 V2090 N2095	L2074-H2093 HydrophobicContact CD1-CB 3.65Å; C2075-H2093 VanDerWaalsContact CB-NE2 3.34Å; C2075-H2093 WeakPolarHBondContact CB-NE2 3.11Å; C2075-H2093 PolarHBondContact N-NE2 3.26Å; C2075-H2093 PolarHBondContact SG-NE2 2.83Å; C2075-H2093 VanDerWaalsContact SG-NE2 3.42Å; H2089-H2093 AromaticContact CD2-CD2 3.93Å; H2089-H2093 AromaticContact NE2-CD2 3.47Å; H2089-H2093 PolarHBondContact NE2-CD2 2.99Å; H2089-H2093 AromaticContact NE2-NE2 3.45Å; H2089-H2093 PolarHBondContact NE2-NE2 3.23Å; H2089-H2093 PolarHBondContact O-N 3.32Å; V2090-H2093 HydrophobicContact CG1-CB 4.39Å; V2090-H2093 WeakPolarHBondContact O-CB 3.44Å; V2090-H2093 PolarHBondContact O-N 2.83Å; H2093-N2095 PolarHBondContact O-N 2.9Å; H2093-N2095 VanDerWaalsContact O-N 3.13Å
2094	M	77.1	Confident	83.7	Confident	75 Å²	75	43.9 Å²	43.9	37%	0.369	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	8.6	177.2	-49.9	-46.1	-161.4	0	0	113.1	L2074 V2090 N2092 Y2096 V2141 W2144	L2074-M2094 HydrophobicContact CD1-CE 3.81Å; L2074-M2094 HydrophobicContact CD1-SD 4.15Å; V2090-M2094 HydrophobicContact CG1-CE 4.33Å; V2090-M2094 HydrophobicContact CG1-CG 4.32Å; V2090-M2094 PolarHBondContact O-N 3Å; N2092-M2094 PolarHBondContact O-N 3.23Å; M2094-Y2096 PolarHBondContact O-N 3.2Å; M2094-V2141 HydrophobicContact CB-CG2 4.24Å; M2094-V2141 HydrophobicContact CG-CG2 4.11Å; M2094-W2144 HydrophobicContact CE-CG 4.28Å
2095	N	77.2	Confident	84	Confident	110 Å²	110	46.7 Å²	46.7	59%	0.588	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.1	19.4	-167.6	-102	-53.5	0	0	0	115	K2091 N2092 H2093 K2097	K2091-N2095 CarbonylContact O-C 3.29Å; N2092-N2095 WeakPolarHBondContact O-CA 3.42Å; N2092-N2095 PolarHBondContact O-N 3.12Å; H2093-N2095 PolarHBondContact O-N 2.9Å; H2093-N2095 VanDerWaalsContact O-N 3.13Å; N2095-K2097 WeakPolarHBondContact O-CG 3.38Å; N2095-K2097 PolarHBondContact O-N 3.4Å; N2095-K2097 VanDerWaalsContact OD1-CE 3.27Å; N2095-K2097 WeakPolarHBondContact OD1-CE 3.24Å; N2095-K2097 PolarHBondContact OD1-NZ 2.16Å
2096	Y	83.5	Confident	84.5	Confident	6 Å²	6	48.4 Å²	48.4	2%	0.024	25%	0.248	C	C	.	.			trans	-80.4	94.8	-165.8	-174.9	-127.4	0	0	0	111.8	K2091 M2094 P2098 Y2131 T2134 I2137 D2138 V2141	K2091-Y2096 HydrophobicContact CD-CD1 3.98Å; K2091-Y2096 HydrophobicContact CG-CD1 4.37Å; K2091-Y2096 VanDerWaalsContact NZ-CE1 3.3Å; K2091-Y2096 PolarHBondContact O-N 3.02Å; M2094-Y2096 PolarHBondContact O-N 3.2Å; Y2096-P2098 HydrophobicContact CD1-CG 4.26Å; Y2096-P2098 HydrophobicContact CE1-CB 4.33Å; Y2096-P2098 HydrophobicContact CE1-CG 3.76Å; Y2096-P2098 HydrophobicContact CE2-CB 3.93Å; Y2096-P2098 HydrophobicContact CE2-CG 4.14Å; Y2096-P2098 WeakPolarHBondContact O-CD 3.47Å; Y2096-Y2131 PolarHBondContact OH-OH 3.44Å; Y2096-T2134 WeakPolarHBondContact CE2-OG1 3.39Å; Y2096-I2137 HydrophobicContact CD2-CG2 3.85Å; Y2096-I2137 HydrophobicContact CE2-CG2 4.39Å; Y2096-I2137 HydrophobicContact CG-CG2 4.18Å; Y2096-D2138 WeakPolarHBondContact CE1-OD1 3.28Å; Y2096-D2138 VanDerWaalsContact CZ-OD1 3.27Å; Y2096-D2138 PolarHBondContact OH-OD1 3.45Å; Y2096-D2138 PolarHBondContact OH-OD2 2.73Å; Y2096-V2141 HydrophobicContact CD1-CB 4.15Å; Y2096-V2141 HydrophobicContact CD1-CG1 4.02Å; Y2096-V2141 HydrophobicContact CD1-CG2 3.71Å; Y2096-V2141 HydrophobicContact CE1-CB 4.43Å; Y2096-V2141 HydrophobicContact CE1-CG1 4.38Å; Y2096-V2141 HydrophobicContact CE1-CG2 4.38Å; Y2096-V2141 HydrophobicContact CG-CG2 4.06Å
2097	K	85.7	Confident	84.8	Confident	89 Å²	89	53.9 Å²	53.9	39%	0.387	27%	0.272	S	S	.	.			trans	-112.4	57.2	-170.1	-69.1	163	-168.1	164.7	0	112.6	N2095 Y2099 K2107 S2108	N2095-K2097 WeakPolarHBondContact O-CG 3.38Å; N2095-K2097 PolarHBondContact O-N 3.4Å; N2095-K2097 VanDerWaalsContact OD1-CE 3.27Å; N2095-K2097 WeakPolarHBondContact OD1-CE 3.24Å; N2095-K2097 PolarHBondContact OD1-NZ 2.16Å; K2097-Y2099 VanDerWaalsContact C-N 3.29Å; K2097-Y2099 PolarHBondContact O-N 3.12Å; K2097-K2107 HydrophobicContact CB-CB 3.95Å; K2097-S2108 CarbonylContact C-O 3.54Å; K2097-S2108 VanDerWaalsContact C-O 3.29Å
2098	P	83.2	Confident	85.2	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.019	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-71.8	-14.9	-166.8	31.6	-39.8	0	0	0	115.1	Y2096 Y2131 F2132	Y2096-P2098 HydrophobicContact CD1-CG 4.26Å; Y2096-P2098 HydrophobicContact CE1-CB 4.33Å; Y2096-P2098 HydrophobicContact CE1-CG 3.76Å; Y2096-P2098 HydrophobicContact CE2-CB 3.93Å; Y2096-P2098 HydrophobicContact CE2-CG 4.14Å; Y2096-P2098 WeakPolarHBondContact O-CD 3.47Å; P2098-Y2131 HydrophobicContact CB-CD2 3.98Å; P2098-Y2131 HydrophobicContact CB-CE2 3.54Å; P2098-Y2131 HydrophobicContact CG-CD2 4.44Å; P2098-Y2131 HydrophobicContact CG-CE2 3.75Å; P2098-Y2131 CarbonylContact O-C 3.56Å; P2098-Y2131 VanDerWaalsContact O-CA 3.31Å; P2098-Y2131 WeakPolarHBondContact O-CA 3.33Å; P2098-F2132 WeakPolarHBondContact CA-O 3.4Å; P2098-F2132 WeakPolarHBondContact CB-O 3.25Å; P2098-F2132 PolarHBondContact O-N 3.41Å
2099	Y	91.3	Very high	85.4	Confident	55 Å²	55	50 Å²	50	22%	0.216	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.7	173.2	-54.9	-75.5	0	0	0	109.6	K2097 K2107 S2108 P2109 K2111 V2114 I2129 Y2131	K2097-Y2099 VanDerWaalsContact C-N 3.29Å; K2097-Y2099 PolarHBondContact O-N 3.12Å; Y2099-K2107 CarbonylContact O-C 3.57Å; Y2099-K2107 WeakPolarHBondContact O-CA 3.49Å; Y2099-S2108 WeakPolarHBondContact CB-O 3.41Å; Y2099-S2108 PolarHBondContact N-O 3.37Å; Y2099-S2108 VanDerWaalsContact N-O 3.09Å; Y2099-S2108 PolarHBondContact O-N 2.89Å; Y2099-P2109 WeakPolarHBondContact CD2-O 3.31Å; Y2099-P2109 WeakPolarHBondContact CE2-O 3.43Å; Y2099-K2111 HydrophobicContact CD1-CB 3.81Å; Y2099-K2111 HydrophobicContact CD1-CD 4.06Å; Y2099-K2111 HydrophobicContact CD1-CG 3.99Å; Y2099-K2111 HydrophobicContact CD2-CB 4.03Å; Y2099-K2111 HydrophobicContact CE1-CB 3.85Å; Y2099-K2111 HydrophobicContact CE1-CD 3.82Å; Y2099-K2111 HydrophobicContact CE1-CG 4.14Å; Y2099-K2111 HydrophobicContact CE2-CB 4.05Å; Y2099-K2111 HydrophobicContact CG-CB 3.9Å; Y2099-K2111 HydrophobicContact CG-CG 4.46Å; Y2099-V2114 WeakPolarHBondContact O-CG2 3.26Å; Y2099-I2129 HydrophobicContact CD1-CG2 4.28Å; Y2099-Y2131 AromaticContact CD1-CD2 3.72Å; Y2099-Y2131 HydrophobicContact CD1-CD2 3.72Å; Y2099-Y2131 HydrophobicContact CD1-CE2 4.38Å; Y2099-Y2131 AromaticContact CE1-CD2 3.5Å; Y2099-Y2131 HydrophobicContact CE1-CD2 3.5Å; Y2099-Y2131 AromaticContact CE1-CE2 3.88Å; Y2099-Y2131 HydrophobicContact CE1-CE2 3.88Å; Y2099-Y2131 HydrophobicContact CG-CD2 4.47Å
2100	C	87.4	Confident	85.7	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.034	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	162.5	172.5	64	0	0	0	0	112.1	Y2106 K2107 I2129 N2130 F2132	C2100-Y2106 CarbonylContact C-O 3.32Å; C2100-Y2106 WeakPolarHBondContact CA-O 3.19Å; C2100-K2107 HydrophobicContact CB-CB 4.11Å; C2100-K2107 HydrophobicContact CB-CD 4.3Å; C2100-K2107 HydrophobicContact CB-CG 3.79Å; C2100-I2129 CarbonylContact O-C 3.47Å; C2100-I2129 WeakPolarHBondContact O-CA 3.4Å; C2100-N2130 PolarHBondContact N-O 2.9Å; C2100-N2130 PolarHBondContact O-N 2.53Å; C2100-F2132 WeakPolarHBondContact SG-CD2 3.45Å; C2100-F2132 WeakPolarHBondContact SG-CE2 3.44Å
2101	C	91.1	Very high	86.1	Confident	6 Å²	6	54.3 Å²	54.3	4%	0.041	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	143.1	173.6	-174.9	0	0	0	0	110.1	H2103 C2104 Y2106 V2114 I2118	C2101-H2103 PolarHBondContact SG-N 3.4Å; C2101-C2104 WeakPolarHBondContact CB-O 3.2Å; C2101-C2104 VanDerWaalsContact O-O 3.14Å; C2101-Y2106 PolarHBondContact N-O 3.33Å; C2101-V2114 HydrophobicContact CB-CG1 4.03Å; C2101-I2118 HydrophobicContact CB-CG1 4.36Å; C2101-I2118 WeakPolarHBondContact SG-CG1 3.28Å
2102	G	87.5	Confident	86.3	Confident	34 Å²	34	57.6 Å²	57.6	35%	0.351	30%	0.299	S	S	.	.	S	Bend	trans	-78.3	-6.6	170.5	0	0	0	0	0	114.2	T2128	G2102-T2128 WeakPolarHBondContact CA-OG1 3.39Å; G2102-T2128 PolarHBondContact N-O 2.94Å
2103	H	86.8	Confident	86.9	Confident	66 Å²	66	58.3 Å²	58.3	31%	0.306	30%	0.298	S	S	.	.	S	Bend	trans	-116.3	-6.4	-174.5	-53.8	-58.1	0	0	0	114.1	C2101 H2122 P2126 T2128	C2101-H2103 PolarHBondContact SG-N 3.4Å; H2103-H2122 HydrophobicContact CB-CB 4.5Å; H2103-H2122 VanDerWaalsContact CB-CE1 3.4Å; H2103-H2122 WeakPolarHBondContact CB-CE1 3.3Å; H2103-H2122 WeakPolarHBondContact CB-ND1 3.35Å; H2103-H2122 PolarHBondContact O-CE1 2.91Å; H2103-H2122 VanDerWaalsContact O-CE1 3.25Å; H2103-P2126 PolarHBondContact NE2-O 3.46Å; H2103-T2128 PolarHBondContact CD2-OG1 3.26Å; H2103-T2128 VanDerWaalsContact CD2-OG1 3.32Å; H2103-T2128 PolarHBondContact CE1-OG1 2.9Å; H2103-T2128 VanDerWaalsContact CE1-OG1 3.3Å; H2103-T2128 PolarHBondContact NE2-OG1 3.05Å
2104	C	89.5	Confident	87.6	Confident	52 Å²	52	54.7 Å²	54.7	35%	0.351	28%	0.282	S	S	.	.	S	Bend	trans	-166.8	173.2	167.8	73.9	0	0	0	0	111.8	C2101 Y2106 H2117 H2122	C2101-C2104 WeakPolarHBondContact CB-O 3.2Å; C2101-C2104 VanDerWaalsContact O-O 3.14Å; C2104-Y2106 PolarHBondContact O-N 3.26Å; C2104-H2117 PolarHBondContact SG-CE1 2.86Å; C2104-H2117 PolarHBondContact SG-NE2 3.22Å; C2104-H2122 PolarHBondContact SG-NE2 2.93Å; C2104-H2122 VanDerWaalsContact SG-NE2 3.37Å
2105	D	85.3	Confident	88.2	Confident	140 Å²	140	57.8 Å²	57.8	75%	0.749	29%	0.289	S	S	*	.	S	Bend	trans	-66.8	8.2	-175.8	-66.1	-69.8	0	0	0	117.3	K2107	D2105-K2107 WeakPolarHBondContact O-CG 3.13Å; D2105-K2107 PolarHBondContact O-N 2.7Å
2106	Y	91.7	Very high	88.9	Confident	78 Å²	78	59 Å²	59	31%	0.306	29%	0.286	S	S	.	.			trans	-65.6	104.4	-178	-178.2	-96.6	0	0	0	112.5	C2100 C2101 C2104 V2114 H2117	C2100-Y2106 CarbonylContact C-O 3.32Å; C2100-Y2106 WeakPolarHBondContact CA-O 3.19Å; C2101-Y2106 PolarHBondContact N-O 3.33Å; C2104-Y2106 PolarHBondContact O-N 3.26Å; Y2106-V2114 HydrophobicContact CD1-CG2 4.35Å; Y2106-V2114 HydrophobicContact CE1-CG2 4.29Å; Y2106-H2117 HydrophobicContact CD1-CB 3.63Å; Y2106-H2117 AromaticContact CD1-CD2 3.64Å; Y2106-H2117 AromaticContact CD1-CG 3.43Å; Y2106-H2117 VanDerWaalsContact CD1-CG 3.43Å; Y2106-H2117 HydrophobicContact CE1-CB 3.67Å; Y2106-H2117 AromaticContact CE1-CG 3.99Å; Y2106-H2117 HydrophobicContact CG-CB 4.19Å; Y2106-H2117 AromaticContact CG-CD2 3.83Å; Y2106-H2117 AromaticContact CG-CE1 3.95Å; Y2106-H2117 AromaticContact CG-CG 3.59Å; Y2106-H2117 AromaticContact CG-ND1 3.66Å
2107	K	89.2	Confident	89.3	Confident	115 Å²	115	60.2 Å²	60.2	50%	0.5	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	145.6	179.2	-36.2	-162.3	-179.8	174.9	0	112.5	K2097 Y2099 C2100 D2105	K2097-K2107 HydrophobicContact CB-CB 3.95Å; Y2099-K2107 CarbonylContact O-C 3.57Å; Y2099-K2107 WeakPolarHBondContact O-CA 3.49Å; C2100-K2107 HydrophobicContact CB-CB 4.11Å; C2100-K2107 HydrophobicContact CB-CD 4.3Å; C2100-K2107 HydrophobicContact CB-CG 3.79Å; D2105-K2107 WeakPolarHBondContact O-CG 3.13Å; D2105-K2107 PolarHBondContact O-N 2.7Å
2108	S	92.3	Very high	89.5	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	148.5	-171.1	-161.2	0	0	0	0	113.6	K2097 Y2099 V2110 K2113	K2097-S2108 CarbonylContact C-O 3.54Å; K2097-S2108 VanDerWaalsContact C-O 3.29Å; Y2099-S2108 WeakPolarHBondContact CB-O 3.41Å; Y2099-S2108 PolarHBondContact N-O 3.37Å; Y2099-S2108 VanDerWaalsContact N-O 3.09Å; Y2099-S2108 PolarHBondContact O-N 2.89Å; S2108-V2110 PolarHBondContact OG-N 2.85Å; S2108-K2113 WeakPolarHBondContact OG-CB 3.41Å
2109	P	88.4	Confident	89.8	Confident	9 Å²	9	62 Å²	62	6%	0.058	30%	0.301	C	S	.	.	S	Bend	trans	-75.5	-18.1	165.7	32.6	-34.1	0	0	0	112.4	K2091 N2092 Y2099	K2091-P2109 HydrophobicContact CB-CB 3.52Å; K2091-P2109 HydrophobicContact CB-CG 4.44Å; K2091-P2109 HydrophobicContact CD-CB 3.99Å; K2091-P2109 HydrophobicContact CG-CB 4.39Å; N2092-P2109 WeakPolarHBondContact OD1-CG 3.31Å; Y2099-P2109 WeakPolarHBondContact CD2-O 3.31Å; Y2099-P2109 WeakPolarHBondContact CE2-O 3.43Å
2110	V	90	Very high	89.7	Confident	37 Å²	37	64.3 Å²	64.3	22%	0.224	32%	0.317	C	S	.	.			trans	-86.5	95.4	178.1	-97.9	0	0	0	0	117.3	V2088 S2108 S2112 K2113 V2114	V2088-V2110 HydrophobicContact CB-CG2 4.36Å; V2088-V2110 HydrophobicContact CG1-CG2 3.5Å; V2088-V2110 VanDerWaalsContact CG1-CG2 3.5Å; V2088-V2110 HydrophobicContact CG2-CG2 3.89Å; S2108-V2110 PolarHBondContact OG-N 2.85Å; V2110-S2112 PolarHBondContact O-N 3.37Å; V2110-S2112 VanDerWaalsContact O-N 3.14Å; V2110-K2113 WeakPolarHBondContact O-CA 3.4Å; V2110-K2113 WeakPolarHBondContact O-CB 3.08Å; V2110-K2113 PolarHBondContact O-N 2.9Å; V2110-V2114 PolarHBondContact O-N 2.67Å; V2110-V2114 VanDerWaalsContact O-N 3.12Å
2111	K	90.6	Very high	89.6	Confident	99 Å²	99	67 Å²	67	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-52.1	-37.3	170.9	-170.9	163.7	-171.7	164.5	0	112.8	Y2099 V2114 R2115 I2129	Y2099-K2111 HydrophobicContact CD1-CB 3.81Å; Y2099-K2111 HydrophobicContact CD1-CD 4.06Å; Y2099-K2111 HydrophobicContact CD1-CG 3.99Å; Y2099-K2111 HydrophobicContact CD2-CB 4.03Å; Y2099-K2111 HydrophobicContact CE1-CB 3.85Å; Y2099-K2111 HydrophobicContact CE1-CD 3.82Å; Y2099-K2111 HydrophobicContact CE1-CG 4.14Å; Y2099-K2111 HydrophobicContact CE2-CB 4.05Å; Y2099-K2111 HydrophobicContact CG-CB 3.9Å; Y2099-K2111 HydrophobicContact CG-CG 4.46Å; K2111-V2114 PolarHBondContact O-N 2.99Å; K2111-R2115 PolarHBondContact O-N 3.09Å; K2111-I2129 HydrophobicContact CG-CD1 4.12Å; K2111-I2129 HydrophobicContact CG-CG2 4.27Å
2112	S	89.4	Confident	89.4	Confident	82 Å²	82	68.4 Å²	68.4	57%	0.573	35%	0.345	S	S	*	.	H	α-helix	trans	-68.4	-33	173.9	54	0	0	0	0	113.9	V2110 R2115 R2116	V2110-S2112 PolarHBondContact O-N 3.37Å; V2110-S2112 VanDerWaalsContact O-N 3.14Å; S2112-R2115 PolarHBondContact O-N 3.28Å; S2112-R2116 WeakPolarHBondContact O-CB 3.35Å; S2112-R2116 PolarHBondContact O-N 2.98Å
2113	K	90.8	Very high	89.1	Confident	84 Å²	84	74.8 Å²	74.8	37%	0.365	36%	0.364	S	S	.	.	H	α-helix	trans	-65.3	-41.6	173.5	-73.3	-174.4	174.6	-175.3	0	110.8	S2108 V2110 R2116 H2117	S2108-K2113 WeakPolarHBondContact OG-CB 3.41Å; V2110-K2113 WeakPolarHBondContact O-CA 3.4Å; V2110-K2113 WeakPolarHBondContact O-CB 3.08Å; V2110-K2113 PolarHBondContact O-N 2.9Å; K2113-R2116 PolarHBondContact O-N 3.22Å; K2113-H2117 WeakPolarHBondContact O-CB 3.44Å; K2113-H2117 PolarHBondContact O-N 3.29Å
2114	V	90.7	Very high	88.8	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-65.6	-46	175	-170.4	0	0	0	0	111.4	Y2099 C2101 Y2106 V2110 K2111 R2116 H2117 I2118 I2129	Y2099-V2114 WeakPolarHBondContact O-CG2 3.26Å; C2101-V2114 HydrophobicContact CB-CG1 4.03Å; Y2106-V2114 HydrophobicContact CD1-CG2 4.35Å; Y2106-V2114 HydrophobicContact CE1-CG2 4.29Å; V2110-V2114 PolarHBondContact O-N 2.67Å; V2110-V2114 VanDerWaalsContact O-N 3.12Å; K2111-V2114 PolarHBondContact O-N 2.99Å; V2114-R2116 VanDerWaalsContact C-N 3.31Å; V2114-R2116 PolarHBondContact O-N 3.1Å; V2114-H2117 WeakPolarHBondContact O-CA 3.27Å; V2114-H2117 WeakPolarHBondContact O-CB 3.35Å; V2114-H2117 PolarHBondContact O-N 3.04Å; V2114-I2118 HydrophobicContact CG1-CD1 4.01Å; V2114-I2118 HydrophobicContact CG1-CG1 4.48Å; V2114-I2118 WeakPolarHBondContact O-CG1 3.11Å; V2114-I2118 PolarHBondContact O-N 3.09Å; V2114-I2129 HydrophobicContact CB-CD1 4.44Å; V2114-I2129 HydrophobicContact CB-CG1 4.33Å; V2114-I2129 HydrophobicContact CB-CG2 4.17Å; V2114-I2129 HydrophobicContact CG1-CB 4.48Å; V2114-I2129 HydrophobicContact CG1-CG1 3.95Å; V2114-I2129 HydrophobicContact CG1-CG2 4.05Å
2115	R	91.6	Very high	88.3	Confident	140 Å²	140	77.8 Å²	77.8	53%	0.528	40%	0.399	S	S	.	.	H	α-helix	trans	-56.5	-44.6	176.3	-170.8	-179.6	-72.9	166.3	-6.6	112.1	K2111 S2112 I2118 Q2119 I2129	K2111-R2115 PolarHBondContact O-N 3.09Å; S2112-R2115 PolarHBondContact O-N 3.28Å; R2115-I2118 PolarHBondContact O-N 2.8Å; R2115-Q2119 WeakPolarHBondContact O-CB 3.48Å; R2115-Q2119 PolarHBondContact O-N 2.92Å; R2115-I2129 HydrophobicContact CB-CD1 3.86Å
2116	R	91.2	Very high	87.8	Confident	136 Å²	136	75.5 Å²	75.5	51%	0.513	39%	0.391	S	S	.	.	H	α-helix	trans	-66.3	-35.4	175.9	-173.7	-174	66.2	139.2	5.4	112.4	S2112 K2113 V2114 N2120	S2112-R2116 WeakPolarHBondContact O-CB 3.35Å; S2112-R2116 PolarHBondContact O-N 2.98Å; K2113-R2116 PolarHBondContact O-N 3.22Å; V2114-R2116 VanDerWaalsContact C-N 3.31Å; V2114-R2116 PolarHBondContact O-N 3.1Å; R2116-N2120 WeakPolarHBondContact O-CB 3.46Å; R2116-N2120 PolarHBondContact O-N 2.87Å
2117	H	91.6	Very high	87.2	Confident	32 Å²	32	74.5 Å²	74.5	15%	0.148	40%	0.399	C	S	.	.	H	α-helix	trans	-63.8	-48.4	173.1	155.3	81.9	0	0	0	110.7	C2104 Y2106 K2113 V2114 Q2119 N2120 A2121 H2122	C2104-H2117 PolarHBondContact SG-CE1 2.86Å; C2104-H2117 PolarHBondContact SG-NE2 3.22Å; Y2106-H2117 HydrophobicContact CD1-CB 3.63Å; Y2106-H2117 AromaticContact CD1-CD2 3.64Å; Y2106-H2117 AromaticContact CD1-CG 3.43Å; Y2106-H2117 VanDerWaalsContact CD1-CG 3.43Å; Y2106-H2117 HydrophobicContact CE1-CB 3.67Å; Y2106-H2117 AromaticContact CE1-CG 3.99Å; Y2106-H2117 HydrophobicContact CG-CB 4.19Å; Y2106-H2117 AromaticContact CG-CD2 3.83Å; Y2106-H2117 AromaticContact CG-CE1 3.95Å; Y2106-H2117 AromaticContact CG-CG 3.59Å; Y2106-H2117 AromaticContact CG-ND1 3.66Å; K2113-H2117 WeakPolarHBondContact O-CB 3.44Å; K2113-H2117 PolarHBondContact O-N 3.29Å; V2114-H2117 WeakPolarHBondContact O-CA 3.27Å; V2114-H2117 WeakPolarHBondContact O-CB 3.35Å; V2114-H2117 PolarHBondContact O-N 3.04Å; H2117-Q2119 PolarHBondContact O-N 2.85Å; H2117-N2120 PolarHBondContact O-N 2.7Å; H2117-A2121 WeakPolarHBondContact O-CB 3.49Å; H2117-A2121 PolarHBondContact O-N 3.33Å; H2117-H2122 AromaticContact NE2-CD2 3.62Å; H2117-H2122 AromaticContact NE2-NE2 3.57Å
2118	I	90.8	Very high	86.9	Confident	3 Å²	3	71.4 Å²	71.4	2%	0.015	39%	0.39	C	S	.	.	H	α-helix	trans	-56.8	-50.1	175.8	-66.8	157.3	0	0	0	110.9	C2101 V2114 R2115 N2120 A2121 H2122 A2127 T2128 I2129	C2101-I2118 HydrophobicContact CB-CG1 4.36Å; C2101-I2118 WeakPolarHBondContact SG-CG1 3.28Å; V2114-I2118 HydrophobicContact CG1-CD1 4.01Å; V2114-I2118 HydrophobicContact CG1-CG1 4.48Å; V2114-I2118 WeakPolarHBondContact O-CG1 3.11Å; V2114-I2118 PolarHBondContact O-N 3.09Å; R2115-I2118 PolarHBondContact O-N 2.8Å; I2118-N2120 PolarHBondContact O-N 2.92Å; I2118-A2121 PolarHBondContact O-N 3.44Å; I2118-H2122 HydrophobicContact CG2-CB 4.19Å; I2118-H2122 CarbonylContact O-C 3.38Å; I2118-H2122 WeakPolarHBondContact O-CA 3.16Å; I2118-H2122 PolarHBondContact O-N 3.4Å; I2118-A2127 HydrophobicContact CD1-CB 4.42Å; I2118-A2127 HydrophobicContact CG2-CB 4.35Å; I2118-T2128 WeakPolarHBondContact CD1-O 3.19Å; I2118-I2129 HydrophobicContact CD1-CD1 4.34Å; I2118-I2129 HydrophobicContact CD1-CG1 3.55Å
2119	Q	87.6	Confident	86.7	Confident	127 Å²	127	72.7 Å²	72.7	59%	0.593	40%	0.396	S	S	*	.	H	α-helix	trans	-58.6	-22.7	178.6	-169.8	175.9	11.2	0	0	113.8	R2115 H2117	R2115-Q2119 WeakPolarHBondContact O-CB 3.48Å; R2115-Q2119 PolarHBondContact O-N 2.92Å; H2117-Q2119 PolarHBondContact O-N 2.85Å
2120	N	89.9	Confident	86.5	Confident	102 Å²	102	75.6 Å²	75.6	55%	0.545	41%	0.411	S	S	.	.	H	α-helix	trans	-100.8	-39.4	-178.1	-72.8	-1.2	0	0	0	113.9	R2116 H2117 I2118 K2123	R2116-N2120 WeakPolarHBondContact O-CB 3.46Å; R2116-N2120 PolarHBondContact O-N 2.87Å; H2117-N2120 PolarHBondContact O-N 2.7Å; I2118-N2120 PolarHBondContact O-N 2.92Å; N2120-K2123 VanDerWaalsContact O-CE 3.25Å; N2120-K2123 WeakPolarHBondContact O-CE 3.2Å
2121	A	85.6	Confident	86.3	Confident	61 Å²	61	78.7 Å²	78.7	50%	0.504	42%	0.42	S	S	.	.	H	α-helix	trans	-96.9	-36.1	-175	0	0	0	0	0	112.9	H2117 I2118	H2117-A2121 WeakPolarHBondContact O-CB 3.49Å; H2117-A2121 PolarHBondContact O-N 3.33Å; I2118-A2121 PolarHBondContact O-N 3.44Å
2122	H	87.3	Confident	85.6	Confident	36 Å²	36	80.2 Å²	80.2	17%	0.167	43%	0.426	C	S	.	.	S	Bend	trans	-114.8	53.1	-176.1	-58.7	-75.5	0	0	0	109.6	H2103 C2104 H2117 I2118 G2124 L2125	H2103-H2122 HydrophobicContact CB-CB 4.5Å; H2103-H2122 VanDerWaalsContact CB-CE1 3.4Å; H2103-H2122 WeakPolarHBondContact CB-CE1 3.3Å; H2103-H2122 WeakPolarHBondContact CB-ND1 3.35Å; H2103-H2122 PolarHBondContact O-CE1 2.91Å; H2103-H2122 VanDerWaalsContact O-CE1 3.25Å; C2104-H2122 PolarHBondContact SG-NE2 2.93Å; C2104-H2122 VanDerWaalsContact SG-NE2 3.37Å; H2117-H2122 AromaticContact NE2-CD2 3.62Å; H2117-H2122 AromaticContact NE2-NE2 3.57Å; I2118-H2122 HydrophobicContact CG2-CB 4.19Å; I2118-H2122 CarbonylContact O-C 3.38Å; I2118-H2122 WeakPolarHBondContact O-CA 3.16Å; I2118-H2122 PolarHBondContact O-N 3.4Å; H2122-G2124 PolarHBondContact O-N 2.68Å; H2122-L2125 HydrophobicContact CB-CB 4.32Å; H2122-L2125 HydrophobicContact CB-CD1 4.1Å; H2122-L2125 PolarHBondContact O-N 3.2Å; H2122-L2125 VanDerWaalsContact O-N 3.16Å
2123	K	81.1	Confident	84.4	Confident	169 Å²	169	79.2 Å²	79.2	74%	0.735	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	128.5	-175.6	-66.6	173.3	-174.2	167.1	0	110.7	N2120 L2125	N2120-K2123 VanDerWaalsContact O-CE 3.25Å; N2120-K2123 WeakPolarHBondContact O-CE 3.2Å; K2123-L2125 VanDerWaalsContact C-N 3.29Å; K2123-L2125 PolarHBondContact O-N 3.07Å
2124	G	80.8	Confident	82.9	Confident	88 Å²	88	78.3 Å²	78.3	91%	0.907	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	-24.9	-179.2	0	0	0	0	0	114.4	H2122	H2122-G2124 PolarHBondContact O-N 2.68Å
2125	L	78	Confident	81.1	Confident	93 Å²	93	84.4 Å²	84.4	49%	0.487	46%	0.459	S	S	.	.	S	Bend	trans	-74.8	147.9	176.6	-69.2	172.5	0	0	0	111.9	H2122 K2123	H2122-L2125 HydrophobicContact CB-CB 4.32Å; H2122-L2125 HydrophobicContact CB-CD1 4.1Å; H2122-L2125 PolarHBondContact O-N 3.2Å; H2122-L2125 VanDerWaalsContact O-N 3.16Å; K2123-L2125 VanDerWaalsContact C-N 3.29Å; K2123-L2125 PolarHBondContact O-N 3.07Å
2126	P	75.3	Confident	79.4	Confident	91 Å²	91	80.3 Å²	80.3	59%	0.591	46%	0.461	S	S	*	.			trans	-63	148.5	176.8	26.3	-34.5	0	0	0	111.7	H2103 T2128	H2103-P2126 PolarHBondContact NE2-O 3.46Å; P2126-T2128 VanDerWaalsContact C-N 3.28Å; P2126-T2128 PolarHBondContact O-N 2.88Å
2127	A	78.5	Confident	77.9	Confident	57 Å²	57	76.6 Å²	76.6	47%	0.471	45%	0.451	S	S	.	.			trans	-78.9	64.7	-171	0	0	0	0	0	114.3	I2118 I2129	I2118-A2127 HydrophobicContact CD1-CB 4.42Å; I2118-A2127 HydrophobicContact CG2-CB 4.35Å; A2127-I2129 PolarHBondContact O-N 3.36Å
2128	T	82.7	Confident	76.3	Confident	51 Å²	51	76.9 Å²	76.9	31%	0.313	45%	0.453	S	S	.	.			trans	-65.7	112.7	173.7	54.6	0	0	0	0	110.6	G2102 H2103 I2118 P2126	G2102-T2128 WeakPolarHBondContact CA-OG1 3.39Å; G2102-T2128 PolarHBondContact N-O 2.94Å; H2103-T2128 PolarHBondContact CD2-OG1 3.26Å; H2103-T2128 VanDerWaalsContact CD2-OG1 3.32Å; H2103-T2128 PolarHBondContact CE1-OG1 2.9Å; H2103-T2128 VanDerWaalsContact CE1-OG1 3.3Å; H2103-T2128 PolarHBondContact NE2-OG1 3.05Å; I2118-T2128 WeakPolarHBondContact CD1-O 3.19Å; P2126-T2128 VanDerWaalsContact C-N 3.28Å; P2126-T2128 PolarHBondContact O-N 2.88Å
2129	I	88.4	Confident	74.8	Confident	29 Å²	29	82.8 Å²	82.8	15%	0.149	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	102.5	178.1	-58.9	170.8	0	0	0	107.9	Y2099 C2100 K2111 V2114 R2115 I2118 A2127	Y2099-I2129 HydrophobicContact CD1-CG2 4.28Å; C2100-I2129 CarbonylContact O-C 3.47Å; C2100-I2129 WeakPolarHBondContact O-CA 3.4Å; K2111-I2129 HydrophobicContact CG-CD1 4.12Å; K2111-I2129 HydrophobicContact CG-CG2 4.27Å; V2114-I2129 HydrophobicContact CB-CD1 4.44Å; V2114-I2129 HydrophobicContact CB-CG1 4.33Å; V2114-I2129 HydrophobicContact CB-CG2 4.17Å; V2114-I2129 HydrophobicContact CG1-CB 4.48Å; V2114-I2129 HydrophobicContact CG1-CG1 3.95Å; V2114-I2129 HydrophobicContact CG1-CG2 4.05Å; R2115-I2129 HydrophobicContact CB-CD1 3.86Å; I2118-I2129 HydrophobicContact CD1-CD1 4.34Å; I2118-I2129 HydrophobicContact CD1-CG1 3.55Å; A2127-I2129 PolarHBondContact O-N 3.36Å
2130	N	85.5	Confident	73.2	Confident	71 Å²	71	82.1 Å²	82.1	38%	0.38	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	140.8	-179.5	-65.3	-8.9	0	0	0	109.6	C2100 F2132	C2100-N2130 PolarHBondContact N-O 2.9Å; C2100-N2130 PolarHBondContact O-N 2.53Å; N2130-F2132 HydrophobicContact CB-CE2 4.1Å; N2130-F2132 HydrophobicContact CB-CZ 4.43Å
2131	Y	84.9	Confident	71.9	Confident	102 Å²	102	77.6 Å²	77.6	40%	0.4	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.4	176.9	-174.7	-102.9	0	0	0	109.2	Y2096 P2098 Y2099 P2133 D2138	Y2096-Y2131 PolarHBondContact OH-OH 3.44Å; P2098-Y2131 HydrophobicContact CB-CD2 3.98Å; P2098-Y2131 HydrophobicContact CB-CE2 3.54Å; P2098-Y2131 HydrophobicContact CG-CD2 4.44Å; P2098-Y2131 HydrophobicContact CG-CE2 3.75Å; P2098-Y2131 CarbonylContact O-C 3.56Å; P2098-Y2131 VanDerWaalsContact O-CA 3.31Å; P2098-Y2131 WeakPolarHBondContact O-CA 3.33Å; Y2099-Y2131 AromaticContact CD1-CD2 3.72Å; Y2099-Y2131 HydrophobicContact CD1-CD2 3.72Å; Y2099-Y2131 HydrophobicContact CD1-CE2 4.38Å; Y2099-Y2131 AromaticContact CE1-CD2 3.5Å; Y2099-Y2131 HydrophobicContact CE1-CD2 3.5Å; Y2099-Y2131 AromaticContact CE1-CE2 3.88Å; Y2099-Y2131 HydrophobicContact CE1-CE2 3.88Å; Y2099-Y2131 HydrophobicContact CG-CD2 4.47Å; Y2131-P2133 HydrophobicContact CD1-CB 4.45Å; Y2131-P2133 HydrophobicContact CD1-CG 4.05Å; Y2131-P2133 HydrophobicContact CE1-CB 3.71Å; Y2131-P2133 HydrophobicContact CE1-CG 3.7Å; Y2131-P2133 WeakPolarHBondContact O-CD 3.36Å; Y2131-D2138 PolarHBondContact OH-OD2 3.37Å
2132	F	75.8	Confident	70.6	Confident	130 Å²	130	78.2 Å²	78.2	57%	0.57	45%	0.448	S	S	*	.			trans	-110.5	94.9	173.7	-67.2	-59.2	0	0	0	109.3	P2098 C2100 N2130	P2098-F2132 WeakPolarHBondContact CA-O 3.4Å; P2098-F2132 WeakPolarHBondContact CB-O 3.25Å; P2098-F2132 PolarHBondContact O-N 3.41Å; C2100-F2132 WeakPolarHBondContact SG-CD2 3.45Å; C2100-F2132 WeakPolarHBondContact SG-CE2 3.44Å; N2130-F2132 HydrophobicContact CB-CE2 4.1Å; N2130-F2132 HydrophobicContact CB-CZ 4.43Å
2133	P	63.5	Low	69.4	Low	62 Å²	62	84.4 Å²	84.4	40%	0.403	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-74.5	125	167.1	31.3	-28.9	0	0	0	108.4	Y2131 P2135 D2138	Y2131-P2133 HydrophobicContact CD1-CB 4.45Å; Y2131-P2133 HydrophobicContact CD1-CG 4.05Å; Y2131-P2133 HydrophobicContact CE1-CB 3.71Å; Y2131-P2133 HydrophobicContact CE1-CG 3.7Å; Y2131-P2133 WeakPolarHBondContact O-CD 3.36Å; P2133-P2135 WeakPolarHBondContact O-CD 3.49Å; P2133-D2138 HydrophobicContact CB-CB 4.48Å
2134	T	60.4	Low	68.4	Low	65 Å²	65	77.6 Å²	77.6	40%	0.399	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-70.1	124.4	166.5	33.4	0	0	0	0	108.8	Y2096 I2137	Y2096-T2134 WeakPolarHBondContact CE2-OG1 3.39Å; T2134-I2137 PolarHBondContact O-N 3.16Å
2135	P	51.7	Low	67.3	Low	127 Å²	127	77.1 Å²	77.1	83%	0.825	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	147.3	176.7	-27.5	36.2	0	0	0	112.1	P2133 I2137	P2133-P2135 WeakPolarHBondContact O-CD 3.49Å; P2135-I2137 PolarHBondContact O-N 2.69Å
2136	G	56.7	Low	66.3	Low	54 Å²	54	80 Å²	80	56%	0.557	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	-57.7	-172.8	0	0	0	0	0	113.8	D2138 H2139 E2140	G2136-D2138 VanDerWaalsContact C-N 3.34Å; G2136-D2138 PolarHBondContact O-N 2.88Å; G2136-H2139 WeakPolarHBondContact O-CA 3.36Å; G2136-H2139 VanDerWaalsContact O-CB 3.23Å; G2136-H2139 WeakPolarHBondContact O-CB 3.44Å; G2136-H2139 PolarHBondContact O-N 3.35Å; G2136-E2140 PolarHBondContact O-N 3.42Å
2137	I	60.2	Low	65.2	Low	59 Å²	59	82.4 Å²	82.4	30%	0.303	42%	0.418	S	S	.	.	H	α-helix	trans	-61.4	-36.1	-170.3	-57.5	-177.6	0	0	0	112.8	Y2096 T2134 P2135 H2139 E2140 V2141	Y2096-I2137 HydrophobicContact CD2-CG2 3.85Å; Y2096-I2137 HydrophobicContact CE2-CG2 4.39Å; Y2096-I2137 HydrophobicContact CG-CG2 4.18Å; T2134-I2137 PolarHBondContact O-N 3.16Å; P2135-I2137 PolarHBondContact O-N 2.69Å; I2137-H2139 PolarHBondContact O-N 3.35Å; I2137-E2140 PolarHBondContact O-N 3.28Å; I2137-E2140 VanDerWaalsContact O-N 3.1Å; I2137-V2141 HydrophobicContact CG2-CG2 4.15Å; I2137-V2141 WeakPolarHBondContact O-CG2 3.19Å; I2137-V2141 PolarHBondContact O-N 2.79Å
2138	D	58.2	Low	64	Low	38 Å²	38	79.8 Å²	79.8	20%	0.203	40%	0.396	C	S	.	.	H	α-helix	trans	-61.9	-32.3	176	-138.6	4.9	0	0	0	111.2	Y2096 Y2131 P2133 G2136 L2142	Y2096-D2138 WeakPolarHBondContact CE1-OD1 3.28Å; Y2096-D2138 VanDerWaalsContact CZ-OD1 3.27Å; Y2096-D2138 PolarHBondContact OH-OD1 3.45Å; Y2096-D2138 PolarHBondContact OH-OD2 2.73Å; Y2131-D2138 PolarHBondContact OH-OD2 3.37Å; P2133-D2138 HydrophobicContact CB-CB 4.48Å; G2136-D2138 VanDerWaalsContact C-N 3.34Å; G2136-D2138 PolarHBondContact O-N 2.88Å; D2138-L2142 WeakPolarHBondContact O-CB 3.41Å; D2138-L2142 WeakPolarHBondContact O-CG 3.31Å; D2138-L2142 PolarHBondContact O-N 3Å
2139	H	58.1	Low	62.6	Low	127 Å²	127	77.9 Å²	77.9	59%	0.588	38%	0.383	S	S	*	.	H	α-helix	trans	-71.9	-36.5	174.6	-131.7	-103.6	0	0	0	111.9	G2136 I2137 L2142 R2143	G2136-H2139 WeakPolarHBondContact O-CA 3.36Å; G2136-H2139 VanDerWaalsContact O-CB 3.23Å; G2136-H2139 WeakPolarHBondContact O-CB 3.44Å; G2136-H2139 PolarHBondContact O-N 3.35Å; I2137-H2139 PolarHBondContact O-N 3.35Å; H2139-L2142 PolarHBondContact O-N 2.93Å; H2139-R2143 WeakPolarHBondContact O-CG 3.47Å; H2139-R2143 PolarHBondContact O-N 3.35Å
2140	E	55.3	Low	60.3	Low	113 Å²	113	79.1 Å²	79.1	53%	0.528	39%	0.394	S	S	.	.	H	α-helix	trans	-69	-42.5	174.5	-61.5	-174.2	140.7	0	0	112.3	G2136 I2137 L2142 R2143 W2144	G2136-E2140 PolarHBondContact O-N 3.42Å; I2137-E2140 PolarHBondContact O-N 3.28Å; I2137-E2140 VanDerWaalsContact O-N 3.1Å; E2140-L2142 VanDerWaalsContact C-N 3.26Å; E2140-L2142 PolarHBondContact O-N 3.03Å; E2140-R2143 WeakPolarHBondContact O-CB 3.34Å; E2140-R2143 PolarHBondContact O-N 2.89Å; E2140-R2143 VanDerWaalsContact O-N 3.17Å; E2140-W2144 WeakPolarHBondContact O-CB 3.47Å; E2140-W2144 PolarHBondContact O-N 3.2Å
2141	V	61.4	Low	57.8	Low	6 Å²	6	80 Å²	80	4%	0.036	40%	0.395	C	S	.	.	H	α-helix	trans	-65.4	-31.6	175.5	171.8	0	0	0	0	111.2	Y2087 K2091 M2094 Y2096 I2137 K2145	Y2087-V2141 HydrophobicContact CE2-CG1 3.87Å; K2091-V2141 HydrophobicContact CG-CG1 4.22Å; M2094-V2141 HydrophobicContact CB-CG2 4.24Å; M2094-V2141 HydrophobicContact CG-CG2 4.11Å; Y2096-V2141 HydrophobicContact CD1-CB 4.15Å; Y2096-V2141 HydrophobicContact CD1-CG1 4.02Å; Y2096-V2141 HydrophobicContact CD1-CG2 3.71Å; Y2096-V2141 HydrophobicContact CE1-CB 4.43Å; Y2096-V2141 HydrophobicContact CE1-CG1 4.38Å; Y2096-V2141 HydrophobicContact CE1-CG2 4.38Å; Y2096-V2141 HydrophobicContact CG-CG2 4.06Å; I2137-V2141 HydrophobicContact CG2-CG2 4.15Å; I2137-V2141 WeakPolarHBondContact O-CG2 3.19Å; I2137-V2141 PolarHBondContact O-N 2.79Å; V2141-K2145 WeakPolarHBondContact O-CB 3.32Å; V2141-K2145 PolarHBondContact O-N 2.66Å
2142	L	59.3	Low	55.6	Low	75 Å²	75	78.4 Å²	78.4	39%	0.393	40%	0.396	S	S	.	.	H	α-helix	trans	-75.2	-36.6	170.3	-72.5	171.2	0	0	0	113.3	D2138 H2139 E2140 K2145 K2146	D2138-L2142 WeakPolarHBondContact O-CB 3.41Å; D2138-L2142 WeakPolarHBondContact O-CG 3.31Å; D2138-L2142 PolarHBondContact O-N 3Å; H2139-L2142 PolarHBondContact O-N 2.93Å; E2140-L2142 VanDerWaalsContact C-N 3.26Å; E2140-L2142 PolarHBondContact O-N 3.03Å; L2142-K2145 HydrophobicContact CD2-CD 4.19Å; L2142-K2145 PolarHBondContact O-N 2.74Å; L2142-K2146 WeakPolarHBondContact O-CG 3.35Å; L2142-K2146 PolarHBondContact O-N 3.01Å
2143	R	60.6	Low	53.7	Low	165 Å²	165	76 Å²	76	62%	0.623	39%	0.392	S	S	*	.	H	α-helix	trans	-59.4	-46.4	168.6	-74.6	-176.1	-135.2	-146.9	7.8	110.5	H2139 E2140 K2146 R2147	H2139-R2143 WeakPolarHBondContact O-CG 3.47Å; H2139-R2143 PolarHBondContact O-N 3.35Å; E2140-R2143 WeakPolarHBondContact O-CB 3.34Å; E2140-R2143 PolarHBondContact O-N 2.89Å; E2140-R2143 VanDerWaalsContact O-N 3.17Å; R2143-K2146 WeakPolarHBondContact O-CB 3.17Å; R2143-K2146 PolarHBondContact O-N 3.47Å; R2143-K2146 VanDerWaalsContact O-N 3.1Å; R2143-R2147 PolarHBondContact O-N 3.18Å
2144	W	61.6	Low	52.3	Low	27 Å²	27	75.4 Å²	75.4	10%	0.102	39%	0.39	C	S	.	.	H	α-helix	trans	-63	-43.4	177.2	-166.2	94.3	0	0	0	111.8	L2086 V2090 M2094 E2140 K2146 R2147 C2148 F2149	L2086-W2144 HydrophobicContact CD1-CH2 4.11Å; L2086-W2144 HydrophobicContact CD2-CH2 4.24Å; L2086-W2144 HydrophobicContact CG-CH2 4.02Å; V2090-W2144 HydrophobicContact CB-CD2 4.32Å; V2090-W2144 HydrophobicContact CB-CE3 4.01Å; V2090-W2144 HydrophobicContact CB-CH2 3.87Å; V2090-W2144 HydrophobicContact CB-CZ2 4.13Å; V2090-W2144 HydrophobicContact CB-CZ3 3.77Å; V2090-W2144 HydrophobicContact CG1-CD2 3.59Å; V2090-W2144 HydrophobicContact CG1-CE3 3.71Å; V2090-W2144 HydrophobicContact CG1-CG 4.2Å; V2090-W2144 HydrophobicContact CG1-CH2 4.14Å; V2090-W2144 HydrophobicContact CG1-CZ2 3.98Å; V2090-W2144 HydrophobicContact CG1-CZ3 3.98Å; V2090-W2144 HydrophobicContact CG2-CE3 4.41Å; V2090-W2144 HydrophobicContact CG2-CH2 3.36Å; V2090-W2144 HydrophobicContact CG2-CZ2 3.52Å; V2090-W2144 HydrophobicContact CG2-CZ3 3.82Å; M2094-W2144 HydrophobicContact CE-CG 4.28Å; E2140-W2144 WeakPolarHBondContact O-CB 3.47Å; E2140-W2144 PolarHBondContact O-N 3.2Å; W2144-K2146 PolarHBondContact O-N 3.32Å; W2144-R2147 PolarHBondContact O-N 3.22Å; W2144-C2148 HydrophobicContact CD2-CB 4.24Å; W2144-C2148 HydrophobicContact CE3-CB 4.13Å; W2144-C2148 HydrophobicContact CH2-CB 3.43Å; W2144-C2148 VanDerWaalsContact CH2-CB 3.43Å; W2144-C2148 HydrophobicContact CZ2-CB 3.59Å; W2144-C2148 WeakPolarHBondContact CZ2-SG 3.38Å; W2144-C2148 HydrophobicContact CZ3-CB 3.75Å; W2144-C2148 PolarHBondContact O-N 3.42Å; W2144-F2149 AromaticContact CZ3-CE2 3.85Å; W2144-F2149 HydrophobicContact CZ3-CE2 3.85Å; W2144-F2149 HydrophobicContact CZ3-CZ 4.31Å
2145	K	56.8	Low	50.6	Low	77 Å²	77	79.1 Å²	79.1	34%	0.335	40%	0.401	S	S	.	.	H	α-helix	trans	-57.5	-33	173.1	-170.8	-169.9	175.9	-166.8	0	112.2	Y2087 V2141 L2142 F2149	Y2087-K2145 HydrophobicContact CD2-CB 4.16Å; Y2087-K2145 HydrophobicContact CD2-CD 4.39Å; Y2087-K2145 HydrophobicContact CD2-CG 4Å; Y2087-K2145 HydrophobicContact CE1-CD 4.48Å; Y2087-K2145 HydrophobicContact CE2-CB 3.86Å; Y2087-K2145 HydrophobicContact CE2-CD 3.92Å; Y2087-K2145 HydrophobicContact CE2-CG 3.9Å; V2141-K2145 WeakPolarHBondContact O-CB 3.32Å; V2141-K2145 PolarHBondContact O-N 2.66Å; L2142-K2145 HydrophobicContact CD2-CD 4.19Å; L2142-K2145 PolarHBondContact O-N 2.74Å; K2145-F2149 HydrophobicContact CG-CD2 4.14Å; K2145-F2149 WeakPolarHBondContact O-CB 3.13Å; K2145-F2149 WeakPolarHBondContact O-CD2 3.26Å; K2145-F2149 PolarHBondContact O-N 3.04Å
2146	K	58.3	Low	49.4	Very low	154 Å²	154	76.6 Å²	76.6	67%	0.67	39%	0.391	S	S	*	.	H	α-helix	trans	-73.7	-52.3	171.6	-69.1	176.5	179.1	-178	0	111.4	L2142 R2143 W2144 C2148 F2149	L2142-K2146 WeakPolarHBondContact O-CG 3.35Å; L2142-K2146 PolarHBondContact O-N 3.01Å; R2143-K2146 WeakPolarHBondContact O-CB 3.17Å; R2143-K2146 PolarHBondContact O-N 3.47Å; R2143-K2146 VanDerWaalsContact O-N 3.1Å; W2144-K2146 PolarHBondContact O-N 3.32Å; K2146-C2148 PolarHBondContact O-N 3.34Å; K2146-F2149 PolarHBondContact O-N 3.28Å
2147	R	51.9	Low	48.1	Very low	142 Å²	142	80.8 Å²	80.8	54%	0.536	41%	0.405	S	S	.	.	H	α-helix	trans	-57.2	-34	-176.4	-168.7	168.5	-178.3	-178.5	-5.3	112.9	C1338 D1340 R2143 W2144	C1338-R2147 PolarHBondContact O-NH2 3.29Å; D1340-R2147 IonicContact OD2-CZ 3.81Å; D1340-R2147 IonicContact OD2-NH2 2.6Å; D1340-R2147 PolarHBondContact OD2-NH2 3.12Å; R2143-R2147 PolarHBondContact O-N 3.18Å; W2144-R2147 PolarHBondContact O-N 3.22Å
2148	C	53.3	Low	46.6	Very low	1 Å²	1	83.3 Å²	83.3	1%	0.007	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	1.9	-174.3	-51.7	0	0	0	0	114.8	Q2073 W2144 K2146	Q2073-C2148 PolarHBondContact OE1-SG 3.4Å; W2144-C2148 HydrophobicContact CD2-CB 4.24Å; W2144-C2148 HydrophobicContact CE3-CB 4.13Å; W2144-C2148 HydrophobicContact CH2-CB 3.43Å; W2144-C2148 VanDerWaalsContact CH2-CB 3.43Å; W2144-C2148 HydrophobicContact CZ2-CB 3.59Å; W2144-C2148 WeakPolarHBondContact CZ2-SG 3.38Å; W2144-C2148 HydrophobicContact CZ3-CB 3.75Å; W2144-C2148 PolarHBondContact O-N 3.42Å; K2146-C2148 PolarHBondContact O-N 3.34Å
2149	F	51.7	Low	45.3	Very low	11 Å²	11	85.8 Å²	85.8	5%	0.048	45%	0.445	C	S	.	.			trans	-137.1	44.2	172.3	-55.9	-66.9	0	0	0	114.7	Y2070 A2083 L2086 Y2087 W2144 K2145 K2146 E2151 V2152 T2153	Y2070-F2149 HydrophobicContact CD1-CE1 4.06Å; Y2070-F2149 HydrophobicContact CE1-CD1 4.28Å; Y2070-F2149 HydrophobicContact CE1-CE1 4.21Å; A2083-F2149 HydrophobicContact CB-CD1 3.64Å; A2083-F2149 HydrophobicContact CB-CE1 3.45Å; A2083-F2149 VanDerWaalsContact CB-CE1 3.45Å; A2083-F2149 HydrophobicContact CB-CZ 4.22Å; A2083-F2149 WeakPolarHBondContact O-CZ 3.2Å; L2086-F2149 HydrophobicContact CB-CE1 4.18Å; L2086-F2149 HydrophobicContact CB-CZ 3.81Å; L2086-F2149 HydrophobicContact CD2-CE1 3.77Å; L2086-F2149 HydrophobicContact CD2-CZ 3.77Å; L2086-F2149 HydrophobicContact CG-CE1 4.14Å; L2086-F2149 HydrophobicContact CG-CZ 3.67Å; Y2087-F2149 HydrophobicContact CD2-CE2 4.48Å; W2144-F2149 AromaticContact CZ3-CE2 3.85Å; W2144-F2149 HydrophobicContact CZ3-CE2 3.85Å; W2144-F2149 HydrophobicContact CZ3-CZ 4.31Å; K2145-F2149 HydrophobicContact CG-CD2 4.14Å; K2145-F2149 WeakPolarHBondContact O-CB 3.13Å; K2145-F2149 WeakPolarHBondContact O-CD2 3.26Å; K2145-F2149 PolarHBondContact O-N 3.04Å; K2146-F2149 PolarHBondContact O-N 3.28Å; F2149-E2151 VanDerWaalsContact C-N 3.3Å; F2149-E2151 PolarHBondContact O-N 3.16Å; F2149-V2152 HydrophobicContact CB-CB 4.42Å; F2149-V2152 PolarHBondContact O-N 3.38Å; F2149-T2153 PolarHBondContact O-OG1 3.28Å
2150	P	40.9	Very low	44	Very low	56 Å²	56	86.7 Å²	86.7	36%	0.364	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-38.8	-174.5	23.7	-34.5	0	0	0	113.6	V2152	P2150-V2152 PolarHBondContact O-N 3.15Å
2151	E	33.5	Very low	43.5	Very low	88 Å²	88	85.7 Å²	85.7	41%	0.411	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-27.6	178.6	-65.3	-158.4	128.7	0	0	114.5	R2061 F2149	R2061-E2151 IonicContact CZ-OE2 2.71Å; R2061-E2151 IonicContact NH1-OE2 2.7Å; R2061-E2151 PolarHBondContact NH1-OE2 3.07Å; R2061-E2151 IonicContact NH2-OE2 3.25Å; R2061-E2151 PolarHBondContact NH2-OE2 2.68Å; F2149-E2151 VanDerWaalsContact C-N 3.3Å; F2149-E2151 PolarHBondContact O-N 3.16Å
2152	V	39	Very low	43.2	Very low	70 Å²	70	91.2 Å²	91.2	42%	0.424	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-11.8	-161.4	-173.4	0	0	0	0	112.4	F2149 P2150	F2149-V2152 HydrophobicContact CB-CB 4.42Å; F2149-V2152 PolarHBondContact O-N 3.38Å; P2150-V2152 PolarHBondContact O-N 3.15Å
2153	T	36	Very low	43.4	Very low	78 Å²	78	90.2 Å²	90.2	48%	0.479	47%	0.472	S	S	.	.	S	Bend	trans	-92.7	4	-174.3	49.4	0	0	0	0	116	F2149	F2149-T2153 PolarHBondContact O-OG1 3.28Å
2154	S	33.1	Very low	43	Very low	51 Å²	51	85.7 Å²	85.7	36%	0.357	47%	0.465	S	S	.	.	S	Bend	trans	-111.9	-2	-176.6	67.7	0	0	0	0	116.5
2155	F	25	Very low	43.3	Very low	143 Å²	143	85.7 Å²	85.7	63%	0.627	47%	0.469	S	S	*	.	S	Bend	trans	-129.7	101.2	177.2	-96.9	-88.6	0	0	0	113.9
2156	A	26.7	Very low	43.5	Very low	74 Å²	74	89.9 Å²	89.9	61%	0.612	49%	0.494	S	S	*	.	S	Bend	trans	58.5	76.1	158.2	0	0	0	0	0	118.8
2157	T	28.3	Very low	43.6	Very low	142 Å²	142	89 Å²	89	87%	0.871	50%	0.496	S	S	*	.			trans	-159.9	54.2	145	1.8	0	0	0	0	113.4
2158	L	29.7	Very low	44.6	Very low	111 Å²	111	85 Å²	85	58%	0.581	49%	0.488	S	S	*	.			trans	-113.9	22.9	177.5	-126.3	167.1	0	0	0	113.4	D2161 D2174	L2158-D2161 HydrophobicContact CD2-CB 4Å; L2158-D2174 HydrophobicContact CD2-CB 4.4Å
2159	A	30.1	Very low	44.9	Very low	91 Å²	91	93.5 Å²	93.5	75%	0.752	53%	0.526	S	S	*	.	S	Bend	trans	-102.3	65.1	174.2	0	0	0	0	0	110.4
2160	N	32.1	Very low	45.5	Very low	145 Å²	145	96.4 Å²	96.4	78%	0.775	54%	0.544	S	S	*	.	S	Bend	trans	175.5	-5.8	156.9	-97.3	-31.4	0	0	0	114.5	K2162	N2160-K2162 PolarHBondContact O-N 2.99Å
2161	D	44.5	Very low	46.8	Very low	93 Å²	93	98.5 Å²	98.5	50%	0.497	55%	0.552	S	S	.	*			trans	-60.2	130.1	170.4	-67.7	-37.8	0	0	0	109.2	L2158 D2174	L2158-D2161 HydrophobicContact CD2-CB 4Å; D2161-D2174 HydrophobicContact CB-CB 4.33Å; D2161-D2174 PolarHBondContact O-N 2.84Å
2162	K	54.4	Low	48.5	Very low	122 Å²	122	95 Å²	95	53%	0.53	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.3	176.2	-55	-172.4	-176.5	-175.7	0	109.6	N2160 D2171 V2172	N2160-K2162 PolarHBondContact O-N 2.99Å; K2162-D2171 HydrophobicContact CB-CB 3.82Å; K2162-D2171 HydrophobicContact CD-CB 3.53Å; K2162-D2171 HydrophobicContact CG-CB 4.37Å; K2162-V2172 CarbonylContact C-O 3.56Å; K2162-V2172 WeakPolarHBondContact CA-O 3.33Å; K2162-V2172 WeakPolarHBondContact CB-O 3.24Å
2163	V	63.3	Low	50	Low	53 Å²	53	93.6 Å²	93.6	32%	0.321	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123	174.7	-179.9	0	0	0	0	107.7	C2165 V2172 D2174	V2163-C2165 PolarHBondContact O-N 3.4Å; V2163-V2172 PolarHBondContact N-O 3.2Å; V2163-V2172 PolarHBondContact O-N 2.72Å; V2163-D2174 HydrophobicContact CG2-CB 3.96Å
2164	P	53.5	Low	51.4	Low	71 Å²	71	93.1 Å²	93.1	46%	0.461	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	131.3	172.9	27.4	-33.8	0	0	0	109.6
2165	C	67.8	Low	53	Low	27 Å²	27	93.9 Å²	93.9	18%	0.182	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-74.6	130.5	171.8	-176.1	0	0	0	0	110.2	V2163 L2167 K2169 T2170 V2172 H2182 H2186	V2163-C2165 PolarHBondContact O-N 3.4Å; C2165-L2167 PolarHBondContact O-N 3.09Å; C2165-K2169 WeakPolarHBondContact O-CA 3.29Å; C2165-K2169 PolarHBondContact O-N 3.41Å; C2165-T2170 PolarHBondContact N-O 3.39Å; C2165-V2172 HydrophobicContact CB-CG2 4.02Å; C2165-H2182 VanDerWaalsContact CB-CD2 3.5Å; C2165-H2182 WeakPolarHBondContact CB-CD2 3.38Å; C2165-H2182 WeakPolarHBondContact CB-NE2 3.38Å; C2165-H2182 VanDerWaalsContact SG-CD2 3.57Å; C2165-H2182 PolarHBondContact SG-NE2 3.25Å; C2165-H2182 VanDerWaalsContact SG-NE2 3.43Å; C2165-H2186 PolarHBondContact SG-NE2 2.97Å; C2165-H2186 VanDerWaalsContact SG-NE2 3.43Å
2166	L	61.3	Low	54.5	Low	165 Å²	165	92 Å²	92	86%	0.864	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-25.6	-178.3	-59.8	177.3	0	0	0	113.5
2167	L	60.3	Low	56	Low	135 Å²	135	94.5 Å²	94.5	71%	0.707	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-33.7	-173.1	-65.5	173.5	0	0	0	114.4	C2165 H2186	C2165-L2167 PolarHBondContact O-N 3.09Å; L2167-H2186 WeakPolarHBondContact CB-CE1 3.1Å; L2167-H2186 WeakPolarHBondContact CB-ND1 3.37Å; L2167-H2186 HydrophobicContact CD1-CB 4.07Å
2168	C	73	Confident	58.1	Low	57 Å²	57	89.2 Å²	89.2	39%	0.385	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	6.7	175.6	64.6	0	0	0	0	114.8	T2170 H2182 H2186	C2168-T2170 PolarHBondContact O-N 3.17Å; C2168-T2170 PolarHBondContact SG-OG1 2.89Å; C2168-T2170 VanDerWaalsContact SG-OG1 3.39Å; C2168-H2182 PolarHBondContact SG-CE1 2.78Å; C2168-H2182 PolarHBondContact SG-NE2 3.1Å; C2168-H2186 PolarHBondContact SG-CE1 3.29Å; C2168-H2186 PolarHBondContact SG-NE2 3.3Å; C2168-H2186 VanDerWaalsContact SG-NE2 3.44Å
2169	K	59.9	Low	60	Low	181 Å²	181	87.8 Å²	87.8	79%	0.787	49%	0.486	S	S	*	.			trans	62.3	7.2	174.7	-54.2	173.9	-175.9	173.2	0	115.7	C2165	C2165-K2169 WeakPolarHBondContact O-CA 3.29Å; C2165-K2169 PolarHBondContact O-N 3.41Å
2170	T	63.9	Low	61.9	Low	72 Å²	72	86.1 Å²	86.1	44%	0.442	47%	0.469	S	S	.	.			trans	-80.5	141.6	175.5	65.7	0	0	0	0	112.5	C2165 C2168 V2172 H2182	C2165-T2170 PolarHBondContact N-O 3.39Å; C2168-T2170 PolarHBondContact O-N 3.17Å; C2168-T2170 PolarHBondContact SG-OG1 2.89Å; C2168-T2170 VanDerWaalsContact SG-OG1 3.39Å; T2170-V2172 PolarHBondContact O-N 3.4Å; T2170-H2182 PolarHBondContact OG1-CE1 3.03Å
2171	D	67.1	Low	63.6	Low	100 Å²	100	80.6 Å²	80.6	54%	0.535	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	106.3	177.3	-77.5	-18.3	0	0	0	113.3	K2162	K2162-D2171 HydrophobicContact CB-CB 3.82Å; K2162-D2171 HydrophobicContact CD-CB 3.53Å; K2162-D2171 HydrophobicContact CG-CB 4.37Å
2172	V	70.4	Confident	65.1	Low	13 Å²	13	77.5 Å²	77.5	8%	0.079	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	135.4	176.6	-167.9	0	0	0	0	109.8	K2162 V2163 C2165 T2170 S2178 K2179 H2182	K2162-V2172 CarbonylContact C-O 3.56Å; K2162-V2172 WeakPolarHBondContact CA-O 3.33Å; K2162-V2172 WeakPolarHBondContact CB-O 3.24Å; V2163-V2172 PolarHBondContact N-O 3.2Å; V2163-V2172 PolarHBondContact O-N 2.72Å; C2165-V2172 HydrophobicContact CB-CG2 4.02Å; T2170-V2172 PolarHBondContact O-N 3.4Å; V2172-S2178 WeakPolarHBondContact CG1-O 3.26Å; V2172-K2179 HydrophobicContact CG1-CG 4.4Å; V2172-H2182 HydrophobicContact CG1-CB 3.79Å; V2172-H2182 HydrophobicContact CG2-CB 3.9Å; V2172-H2182 VanDerWaalsContact CG2-CD2 3.47Å; V2172-H2182 WeakPolarHBondContact CG2-CD2 3.45Å
2173	A	70.6	Confident	65.7	Low	41 Å²	41	73.9 Å²	73.9	34%	0.339	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	148.2	175.2	0	0	0	0	0	112.1	T2175 S2178	A2173-T2175 PolarHBondContact O-N 3.13Å; A2173-S2178 PolarHBondContact O-OG 3.36Å
2174	D	63.8	Low	65.9	Low	68 Å²	68	75.2 Å²	75.2	36%	0.364	42%	0.417	S	S	.	.	S	Bend	trans	-81.1	55.9	-177.5	-160.8	12	0	0	0	113.1	L2158 D2161 V2163 K2179	L2158-D2174 HydrophobicContact CD2-CB 4.4Å; D2161-D2174 HydrophobicContact CB-CB 4.33Å; D2161-D2174 PolarHBondContact O-N 2.84Å; V2163-D2174 HydrophobicContact CG2-CB 3.96Å; D2174-K2179 VanDerWaalsContact OD1-CE 3.25Å; D2174-K2179 WeakPolarHBondContact OD1-CE 3.32Å; D2174-K2179 IonicContact OD1-NZ 3.69Å; D2174-K2179 PolarHBondContact OD1-NZ 2.78Å
2175	T	67.7	Low	66.3	Low	67 Å²	67	75.8 Å²	75.8	41%	0.411	42%	0.416	S	S	.	.	S	Bend	trans	-121.7	144.1	170.9	82.5	0	0	0	0	109.8	A2173 L2177 S2178 K2179	A2173-T2175 PolarHBondContact O-N 3.13Å; T2175-L2177 PolarHBondContact O-N 2.62Å; T2175-S2178 PolarHBondContact N-OG 3.14Å; T2175-S2178 PolarHBondContact O-N 3.07Å; T2175-S2178 PolarHBondContact O-OG 2.89Å; T2175-S2178 VanDerWaalsContact O-OG 3.14Å; T2175-S2178 PolarHBondContact OG1-N 2.64Å; T2175-S2178 VanDerWaalsContact OG1-N 3.12Å; T2175-S2178 PolarHBondContact OG1-OG 3.27Å; T2175-K2179 WeakPolarHBondContact O-CB 3.42Å; T2175-K2179 PolarHBondContact O-N 2.76Å
2176	L	57	Low	66.1	Low	105 Å²	105	77.4 Å²	77.4	55%	0.55	42%	0.421	S	S	.	.	H	α-helix	trans	-55.5	-35.3	176.8	-73.1	178.1	0	0	0	112.2	N1365 S2180	N1365-L2176 HydrophobicContact CB-CD1 4.2Å; L2176-S2180 WeakPolarHBondContact O-CB 3.3Å; L2176-S2180 PolarHBondContact O-N 2.83Å
2177	L	58.2	Low	65.6	Low	126 Å²	126	76 Å²	76	66%	0.66	41%	0.414	S	S	*	.	H	α-helix	trans	-68.5	-45.9	178.8	-175.6	62.2	0	0	0	112	T2175 S2180 V2181	T2175-L2177 PolarHBondContact O-N 2.62Å; L2177-S2180 PolarHBondContact O-N 2.88Å; L2177-V2181 HydrophobicContact CD1-CG2 4.35Å; L2177-V2181 WeakPolarHBondContact O-CB 3.27Å; L2177-V2181 VanDerWaalsContact O-CG2 3.27Å; L2177-V2181 WeakPolarHBondContact O-CG2 3.09Å; L2177-V2181 PolarHBondContact O-N 3.21Å
2178	S	70.9	Confident	65.2	Low	31 Å²	31	74.8 Å²	74.8	22%	0.217	41%	0.408	C	S	.	.	H	α-helix	trans	-70.5	-36.9	178.4	51.4	0	0	0	0	112.2	V2172 A2173 T2175 H2182	V2172-S2178 WeakPolarHBondContact CG1-O 3.26Å; A2173-S2178 PolarHBondContact O-OG 3.36Å; T2175-S2178 PolarHBondContact N-OG 3.14Å; T2175-S2178 PolarHBondContact O-N 3.07Å; T2175-S2178 PolarHBondContact O-OG 2.89Å; T2175-S2178 VanDerWaalsContact O-OG 3.14Å; T2175-S2178 PolarHBondContact OG1-N 2.64Å; T2175-S2178 VanDerWaalsContact OG1-N 3.12Å; T2175-S2178 PolarHBondContact OG1-OG 3.27Å; S2178-H2182 WeakPolarHBondContact O-CB 3.28Å; S2178-H2182 PolarHBondContact O-N 2.93Å
2179	K	70.7	Confident	64.3	Low	81 Å²	81	74.6 Å²	74.6	35%	0.352	41%	0.407	S	S	.	.	H	α-helix	trans	-60.8	-41.9	168.4	-76.1	176.6	166.1	172.6	0	112.6	V2172 D2174 T2175 H2182 A2183	V2172-K2179 HydrophobicContact CG1-CG 4.4Å; D2174-K2179 VanDerWaalsContact OD1-CE 3.25Å; D2174-K2179 WeakPolarHBondContact OD1-CE 3.32Å; D2174-K2179 IonicContact OD1-NZ 3.69Å; D2174-K2179 PolarHBondContact OD1-NZ 2.78Å; T2175-K2179 WeakPolarHBondContact O-CB 3.42Å; T2175-K2179 PolarHBondContact O-N 2.76Å; K2179-H2182 PolarHBondContact O-N 2.6Å; K2179-A2183 WeakPolarHBondContact O-CB 3.39Å; K2179-A2183 PolarHBondContact O-N 3.32Å
2180	S	68.9	Low	65	Low	56 Å²	56	70.3 Å²	70.3	39%	0.392	39%	0.388	S	S	.	.	H	α-helix	trans	-68.2	-46.8	177.7	-179.5	0	0	0	0	112.7	L2176 L2177 H2182 A2183 K2184	L2176-S2180 WeakPolarHBondContact O-CB 3.3Å; L2176-S2180 PolarHBondContact O-N 2.83Å; L2177-S2180 PolarHBondContact O-N 2.88Å; S2180-H2182 VanDerWaalsContact C-N 3.28Å; S2180-H2182 PolarHBondContact O-N 2.77Å; S2180-A2183 PolarHBondContact O-N 2.81Å; S2180-K2184 WeakPolarHBondContact O-CG 3.34Å; S2180-K2184 PolarHBondContact O-N 3.49Å
2181	V	68.5	Low	65.1	Low	29 Å²	29	70.3 Å²	70.3	18%	0.176	39%	0.39	C	S	.	.	H	α-helix	trans	-59.9	-41.6	174.7	169.7	0	0	0	0	110.7	L2177 K2184 N2185 L2203	L2177-V2181 HydrophobicContact CD1-CG2 4.35Å; L2177-V2181 WeakPolarHBondContact O-CB 3.27Å; L2177-V2181 VanDerWaalsContact O-CG2 3.27Å; L2177-V2181 WeakPolarHBondContact O-CG2 3.09Å; L2177-V2181 PolarHBondContact O-N 3.21Å; V2181-K2184 PolarHBondContact O-N 3.2Å; V2181-N2185 PolarHBondContact O-N 3.06Å; V2181-N2185 PolarHBondContact O-OD1 3.44Å; V2181-L2203 HydrophobicContact CG1-CD1 4.01Å; V2181-L2203 HydrophobicContact CG1-CG 4.21Å; V2181-L2203 HydrophobicContact CG2-CD1 4.31Å; V2181-L2203 HydrophobicContact CG2-CD2 3.7Å; V2181-L2203 HydrophobicContact CG2-CG 4.15Å
2182	H	75.3	Confident	65.2	Low	28 Å²	28	69.5 Å²	69.5	13%	0.13	38%	0.38	C	S	.	.	H	α-helix	trans	-67.3	-42.6	176.6	-171.6	79.5	0	0	0	112.5	C2165 C2168 T2170 V2172 S2178 K2179 S2180 K2184 N2185 H2186	C2165-H2182 VanDerWaalsContact CB-CD2 3.5Å; C2165-H2182 WeakPolarHBondContact CB-CD2 3.38Å; C2165-H2182 WeakPolarHBondContact CB-NE2 3.38Å; C2165-H2182 VanDerWaalsContact SG-CD2 3.57Å; C2165-H2182 PolarHBondContact SG-NE2 3.25Å; C2165-H2182 VanDerWaalsContact SG-NE2 3.43Å; C2168-H2182 PolarHBondContact SG-CE1 2.78Å; C2168-H2182 PolarHBondContact SG-NE2 3.1Å; T2170-H2182 PolarHBondContact OG1-CE1 3.03Å; V2172-H2182 HydrophobicContact CG1-CB 3.79Å; V2172-H2182 HydrophobicContact CG2-CB 3.9Å; V2172-H2182 VanDerWaalsContact CG2-CD2 3.47Å; V2172-H2182 WeakPolarHBondContact CG2-CD2 3.45Å; S2178-H2182 WeakPolarHBondContact O-CB 3.28Å; S2178-H2182 PolarHBondContact O-N 2.93Å; K2179-H2182 PolarHBondContact O-N 2.6Å; S2180-H2182 VanDerWaalsContact C-N 3.28Å; S2180-H2182 PolarHBondContact O-N 2.77Å; H2182-K2184 VanDerWaalsContact C-N 3.31Å; H2182-K2184 PolarHBondContact O-N 2.67Å; H2182-N2185 WeakPolarHBondContact O-CB 3.35Å; H2182-N2185 PolarHBondContact O-N 3.43Å; H2182-H2186 AromaticContact CD2-CD2 3.68Å; H2182-H2186 AromaticContact CD2-NE2 3.44Å; H2182-H2186 PolarHBondContact CD2-NE2 3.04Å; H2182-H2186 AromaticContact CE1-NE2 3.74Å; H2182-H2186 AromaticContact NE2-CD2 3.65Å; H2182-H2186 AromaticContact NE2-NE2 2.91Å; H2182-H2186 PolarHBondContact NE2-NE2 2.93Å; H2182-H2186 PolarHBondContact O-CD2 3.14Å; H2182-H2186 VanDerWaalsContact O-CD2 3.28Å; H2182-H2186 PolarHBondContact O-N 3.18Å
2183	A	67.5	Low	65.5	Low	45 Å²	45	73.4 Å²	73.4	37%	0.372	40%	0.397	S	S	.	.	H	α-helix	trans	-61.3	-37.5	174.2	0	0	0	0	0	112.3	K2179 S2180 N2185 H2186 L2187	K2179-A2183 WeakPolarHBondContact O-CB 3.39Å; K2179-A2183 PolarHBondContact O-N 3.32Å; S2180-A2183 PolarHBondContact O-N 2.81Å; A2183-N2185 PolarHBondContact O-N 3.27Å; A2183-H2186 WeakPolarHBondContact O-CB 3.22Å; A2183-H2186 PolarHBondContact O-N 2.93Å; A2183-L2187 PolarHBondContact O-N 2.98Å
2184	K	68.2	Low	65.9	Low	82 Å²	82	71.9 Å²	71.9	36%	0.357	38%	0.383	S	S	.	.	H	α-helix	trans	-62.2	-25.8	173	-73.8	-176.6	178.7	-167.4	0	113.6	S2180 V2181 H2182 C2202	S2180-K2184 WeakPolarHBondContact O-CG 3.34Å; S2180-K2184 PolarHBondContact O-N 3.49Å; V2181-K2184 PolarHBondContact O-N 3.2Å; H2182-K2184 VanDerWaalsContact C-N 3.31Å; H2182-K2184 PolarHBondContact O-N 2.67Å; K2184-C2202 HydrophobicContact CB-CB 4.3Å
2185	N	61.8	Low	66.7	Low	82 Å²	82	71.6 Å²	71.6	44%	0.439	40%	0.397	S	S	.	.	H	α-helix	trans	-78.9	-16.2	173.3	-65.6	-5.8	0	0	0	113.3	V2181 H2182 A2183 C2202	V2181-N2185 PolarHBondContact O-N 3.06Å; V2181-N2185 PolarHBondContact O-OD1 3.44Å; H2182-N2185 WeakPolarHBondContact O-CB 3.35Å; H2182-N2185 PolarHBondContact O-N 3.43Å; A2183-N2185 PolarHBondContact O-N 3.27Å; N2185-C2202 PolarHBondContact OD1-SG 3.36Å
2186	H	63.5	Low	67	Low	62 Å²	62	73.8 Å²	73.8	29%	0.287	40%	0.398	S	S	.	.	H	α-helix	trans	-85.7	-21.7	170.1	-73.8	-74.7	0	0	0	113.4	C2165 L2167 C2168 H2182 A2183	C2165-H2186 PolarHBondContact SG-NE2 2.97Å; C2165-H2186 VanDerWaalsContact SG-NE2 3.43Å; L2167-H2186 WeakPolarHBondContact CB-CE1 3.1Å; L2167-H2186 WeakPolarHBondContact CB-ND1 3.37Å; L2167-H2186 HydrophobicContact CD1-CB 4.07Å; C2168-H2186 PolarHBondContact SG-CE1 3.29Å; C2168-H2186 PolarHBondContact SG-NE2 3.3Å; C2168-H2186 VanDerWaalsContact SG-NE2 3.44Å; H2182-H2186 AromaticContact CD2-CD2 3.68Å; H2182-H2186 AromaticContact CD2-NE2 3.44Å; H2182-H2186 PolarHBondContact CD2-NE2 3.04Å; H2182-H2186 AromaticContact CE1-NE2 3.74Å; H2182-H2186 AromaticContact NE2-CD2 3.65Å; H2182-H2186 AromaticContact NE2-NE2 2.91Å; H2182-H2186 PolarHBondContact NE2-NE2 2.93Å; H2182-H2186 PolarHBondContact O-CD2 3.14Å; H2182-H2186 VanDerWaalsContact O-CD2 3.28Å; H2182-H2186 PolarHBondContact O-N 3.18Å; A2183-H2186 WeakPolarHBondContact O-CB 3.22Å; A2183-H2186 PolarHBondContact O-N 2.93Å
2187	L	50.7	Low	67.9	Low	135 Å²	135	70.6 Å²	70.6	71%	0.707	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	11.1	-179.6	-60.5	171.7	0	0	0	112.3	A2183 S2189	A2183-L2187 PolarHBondContact O-N 2.98Å; L2187-S2189 PolarHBondContact O-N 3.23Å
2188	D	52	Low	68.7	Low	110 Å²	110	70.6 Å²	70.6	59%	0.588	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	6.3	-175.3	-113.4	-43.9	0	0	0	118.2	K2190	D2188-K2190 PolarHBondContact O-N 2.95Å; D2188-K2190 IonicContact OD1-NZ 3.66Å; D2188-K2190 PolarHBondContact OD1-NZ 3.42Å
2189	S	53.5	Low	69.2	Low	52 Å²	52	73.1 Å²	73.1	36%	0.364	40%	0.397	S	S	.	.			trans	-67.2	96.5	-179.8	62.2	0	0	0	0	112	L2187 P2191	L2187-S2189 PolarHBondContact O-N 3.23Å; S2189-P2191 WeakPolarHBondContact O-CD 3.18Å
2190	K	75.3	Confident	69.5	Low	92 Å²	92	76.2 Å²	76.2	40%	0.4	41%	0.407	S	S	.	.			trans	-108.4	71.8	175.6	-65.8	162.3	-178.1	137.8	0	110.7	D2188 Y2192 R2200 S2201	D2188-K2190 PolarHBondContact O-N 2.95Å; D2188-K2190 IonicContact OD1-NZ 3.66Å; D2188-K2190 PolarHBondContact OD1-NZ 3.42Å; K2190-Y2192 PolarHBondContact O-N 3.18Å; K2190-R2200 HydrophobicContact CB-CB 3.85Å; K2190-S2201 CarbonylContact C-O 3.21Å
2191	P	65.6	Low	70	Confident	72 Å²	72	73.8 Å²	73.8	47%	0.468	39%	0.39	S	S	.	.			trans	-67.3	-33.3	-172.4	26.2	-35.7	0	0	0	113.8	S2189 H2193	S2189-P2191 WeakPolarHBondContact O-CD 3.18Å; P2191-H2193 PolarHBondContact O-N 2.8Å; P2191-H2193 PolarHBondContact O-ND1 3.32Å
2192	Y	69.7	Low	70.4	Confident	83 Å²	83	73 Å²	73	33%	0.325	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	79.9	-174.5	-51.6	-70.4	0	0	0	111.3	K2190 S2201 C2202 R2204 T2207	K2190-Y2192 PolarHBondContact O-N 3.18Å; Y2192-S2201 WeakPolarHBondContact CB-O 3.4Å; Y2192-S2201 PolarHBondContact N-O 2.87Å; Y2192-S2201 VanDerWaalsContact N-O 3.09Å; Y2192-S2201 PolarHBondContact O-N 2.99Å; Y2192-C2202 WeakPolarHBondContact CE2-O 3.29Å; Y2192-R2204 HydrophobicContact CD1-CB 3.97Å; Y2192-R2204 HydrophobicContact CD1-CG 4.24Å; Y2192-R2204 HydrophobicContact CD2-CB 4.3Å; Y2192-R2204 HydrophobicContact CE1-CB 3.89Å; Y2192-R2204 HydrophobicContact CE1-CG 4.26Å; Y2192-R2204 HydrophobicContact CE2-CB 4.2Å; Y2192-R2204 HydrophobicContact CG-CB 4.18Å; Y2192-T2207 VanDerWaalsContact CB-OG1 3.22Å; Y2192-T2207 WeakPolarHBondContact CB-OG1 3.38Å; Y2192-T2207 PolarHBondContact O-OG1 3.26Å
2193	H	75.5	Confident	70.5	Confident	95 Å²	95	74.5 Å²	74.5	44%	0.44	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	153.7	169.6	63	-75.5	0	0	0	111.4	P2191 Y2199 R2200 T2207	P2191-H2193 PolarHBondContact O-N 2.8Å; P2191-H2193 PolarHBondContact O-ND1 3.32Å; H2193-Y2199 CarbonylContact C-O 3.07Å; H2193-Y2199 WeakPolarHBondContact CA-O 3.41Å; H2193-R2200 HydrophobicContact CB-CB 4.47Å; H2193-R2200 HydrophobicContact CB-CG 3.75Å; H2193-T2207 WeakPolarHBondContact O-CG2 3.16Å
2194	C	79	Confident	70.9	Confident	8 Å²	8	78.6 Å²	78.6	5%	0.054	40%	0.4	C	S	.	.			trans	-86.2	140.2	168.6	-174	0	0	0	0	109.8	Y2196 C2197 Y2199 T2207 V2211 H2215	C2194-Y2196 VanDerWaalsContact C-N 3.31Å; C2194-C2197 VanDerWaalsContact O-O 3.1Å; C2194-Y2199 PolarHBondContact N-O 2.96Å; C2194-T2207 HydrophobicContact CB-CG2 4.33Å; C2194-V2211 VanDerWaalsContact SG-CG2 3.59Å; C2194-H2215 PolarHBondContact SG-CD2 3.32Å; C2194-H2215 PolarHBondContact SG-NE2 2.25Å
2195	G	81	Confident	71.3	Confident	63 Å²	63	76.8 Å²	76.8	65%	0.649	40%	0.404	S	S	*	.	S	Bend	trans	-73.4	-20.1	176	0	0	0	0	0	114.2
2196	Y	73.4	Confident	72.1	Confident	113 Å²	113	75.9 Å²	75.9	44%	0.443	40%	0.397	S	S	.	.	S	Bend	trans	-104.9	-10.1	-173.8	-54.2	-66.6	0	0	0	114.3	C2194 H2215 C2242	C2194-Y2196 VanDerWaalsContact C-N 3.31Å; Y2196-H2215 HydrophobicContact CD2-CB 4.03Å; Y2196-H2215 AromaticContact CD2-CD2 3.91Å; Y2196-H2215 AromaticContact CD2-CG 3.86Å; Y2196-H2215 PolarHBondContact O-CE1 3.05Å; Y2196-C2242 VanDerWaalsContact CE2-SG 3.55Å
2197	C	77.6	Confident	72.8	Confident	38 Å²	38	72.9 Å²	72.9	26%	0.257	38%	0.384	S	S	.	.	S	Bend	trans	-159.3	163	174.7	108.7	0	0	0	0	111.7	C2194 Y2199 H2210 H2215	C2194-C2197 VanDerWaalsContact O-O 3.1Å; C2197-Y2199 PolarHBondContact O-N 3.3Å; C2197-H2210 PolarHBondContact SG-CE1 2.79Å; C2197-H2210 PolarHBondContact SG-NE2 3.15Å; C2197-H2210 VanDerWaalsContact SG-NE2 3.35Å; C2197-H2215 WeakPolarHBondContact CB-CE1 3.47Å; C2197-H2215 VanDerWaalsContact CB-NE2 3.33Å; C2197-H2215 WeakPolarHBondContact CB-NE2 3.49Å; C2197-H2215 PolarHBondContact SG-NE2 2.8Å
2198	P	73.6	Confident	74.1	Confident	125 Å²	125	71.7 Å²	71.7	81%	0.812	37%	0.37	S	S	*	.	S	Bend	trans	-66.6	5.1	-172.8	27.2	-36.4	0	0	0	116.3	R2200	P2198-R2200 PolarHBondContact O-N 3.43Å
2199	Y	81.8	Confident	75.3	Confident	85 Å²	85	71.6 Å²	71.6	33%	0.333	36%	0.361	S	S	.	.			trans	-62.7	130.4	178.2	-179.2	-93.9	0	0	0	112.5	H2193 C2194 C2197 H2210	H2193-Y2199 CarbonylContact C-O 3.07Å; H2193-Y2199 WeakPolarHBondContact CA-O 3.41Å; C2194-Y2199 PolarHBondContact N-O 2.96Å; C2197-Y2199 PolarHBondContact O-N 3.3Å; Y2199-H2210 WeakPolarHBondContact CB-CE1 3.45Å; Y2199-H2210 HydrophobicContact CD1-CB 3.8Å; Y2199-H2210 AromaticContact CD1-CD2 3.95Å; Y2199-H2210 AromaticContact CD1-CG 3.52Å; Y2199-H2210 AromaticContact CD1-ND1 3.69Å; Y2199-H2210 AromaticContact CD2-ND1 3.76Å; Y2199-H2210 HydrophobicContact CE1-CB 3.74Å; Y2199-H2210 AromaticContact CE1-CG 3.98Å; Y2199-H2210 HydrophobicContact CG-CB 4.42Å; Y2199-H2210 AromaticContact CG-CE1 3.69Å; Y2199-H2210 AromaticContact CG-CG 3.76Å; Y2199-H2210 AromaticContact CG-ND1 3.42Å
2200	R	76.3	Confident	76.7	Confident	145 Å²	145	70.2 Å²	70.2	55%	0.547	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	138	175.6	-51	-167.2	170.9	-122.9	-2.8	111.5	K2190 H2193 P2198	K2190-R2200 HydrophobicContact CB-CB 3.85Å; H2193-R2200 HydrophobicContact CB-CB 4.47Å; H2193-R2200 HydrophobicContact CB-CG 3.75Å; P2198-R2200 PolarHBondContact O-N 3.43Å
2201	S	81.1	Confident	76.9	Confident	5 Å²	5	65.9 Å²	65.9	4%	0.035	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	157.6	176.3	173.4	0	0	0	0	112.5	K2190 Y2192 L2203 E2206	K2190-S2201 CarbonylContact C-O 3.21Å; Y2192-S2201 WeakPolarHBondContact CB-O 3.4Å; Y2192-S2201 PolarHBondContact N-O 2.87Å; Y2192-S2201 VanDerWaalsContact N-O 3.09Å; Y2192-S2201 PolarHBondContact O-N 2.99Å; S2201-L2203 VanDerWaalsContact C-N 3.25Å; S2201-L2203 PolarHBondContact OG-N 2.85Å; S2201-E2206 PolarHBondContact OG-OE2 3.42Å
2202	C	75.7	Confident	77.4	Confident	12 Å²	12	63.3 Å²	63.3	8%	0.081	31%	0.313	C	S	.	.	S	Bend	trans	-77.4	-5.5	167.3	60.2	0	0	0	0	113.5	K2184 N2185 Y2192	K2184-C2202 HydrophobicContact CB-CB 4.3Å; N2185-C2202 PolarHBondContact OD1-SG 3.36Å; Y2192-C2202 WeakPolarHBondContact CE2-O 3.29Å
2203	L	78.1	Confident	77.6	Confident	60 Å²	60	66.7 Å²	66.7	31%	0.314	33%	0.325	S	S	.	.			trans	-128.2	117	-176.6	-77.5	176	0	0	0	113.5	V2181 S2201 G2205 E2206 T2207	V2181-L2203 HydrophobicContact CG1-CD1 4.01Å; V2181-L2203 HydrophobicContact CG1-CG 4.21Å; V2181-L2203 HydrophobicContact CG2-CD1 4.31Å; V2181-L2203 HydrophobicContact CG2-CD2 3.7Å; V2181-L2203 HydrophobicContact CG2-CG 4.15Å; S2201-L2203 VanDerWaalsContact C-N 3.25Å; S2201-L2203 PolarHBondContact OG-N 2.85Å; L2203-G2205 PolarHBondContact O-N 3.06Å; L2203-G2205 VanDerWaalsContact O-N 3.08Å; L2203-E2206 HydrophobicContact CB-CB 4.25Å; L2203-E2206 HydrophobicContact CB-CG 3.8Å; L2203-E2206 HydrophobicContact CD1-CG 4.16Å; L2203-E2206 WeakPolarHBondContact O-CB 3.48Å; L2203-E2206 PolarHBondContact O-N 3.35Å; L2203-T2207 PolarHBondContact O-N 2.67Å
2204	R	75.8	Confident	77.3	Confident	131 Å²	131	68.8 Å²	68.8	49%	0.494	34%	0.335	S	S	.	.	H	α-helix	trans	-50.2	-36.9	174.4	-168.1	-177.5	-174.8	-171.6	4.2	113.3	Y2192 E2206 R2208 F2243	Y2192-R2204 HydrophobicContact CD1-CB 3.97Å; Y2192-R2204 HydrophobicContact CD1-CG 4.24Å; Y2192-R2204 HydrophobicContact CD2-CB 4.3Å; Y2192-R2204 HydrophobicContact CE1-CB 3.89Å; Y2192-R2204 HydrophobicContact CE1-CG 4.26Å; Y2192-R2204 HydrophobicContact CE2-CB 4.2Å; Y2192-R2204 HydrophobicContact CG-CB 4.18Å; R2204-E2206 VanDerWaalsContact C-N 3.31Å; R2204-E2206 PolarHBondContact O-N 3.37Å; R2204-R2208 WeakPolarHBondContact O-CB 3.35Å; R2204-R2208 PolarHBondContact O-N 3.39Å; R2204-F2243 HydrophobicContact CG-CD1 3.95Å; R2204-F2243 HydrophobicContact CG-CE1 3.75Å; R2204-F2243 HydrophobicContact CG-CE2 4.43Å; R2204-F2243 HydrophobicContact CG-CG 4.38Å; R2204-F2243 HydrophobicContact CG-CZ 4.01Å
2205	G	77	Confident	76.9	Confident	44 Å²	44	72.3 Å²	72.3	45%	0.454	35%	0.351	S	S	.	.	H	α-helix	trans	-70.4	-21.4	178.3	0	0	0	0	0	114.5	L2203 R2209	L2203-G2205 PolarHBondContact O-N 3.06Å; L2203-G2205 VanDerWaalsContact O-N 3.08Å; G2205-R2209 WeakPolarHBondContact O-CB 3.38Å; G2205-R2209 PolarHBondContact O-N 3.27Å
2206	E	78.8	Confident	76.6	Confident	63 Å²	63	71 Å²	71	29%	0.294	33%	0.328	S	S	.	.	H	α-helix	trans	-83.1	-43.3	172.9	-62.7	-171.7	151.6	0	0	111.1	S2201 L2203 R2204 R2208 R2209 H2210	S2201-E2206 PolarHBondContact OG-OE2 3.42Å; L2203-E2206 HydrophobicContact CB-CB 4.25Å; L2203-E2206 HydrophobicContact CB-CG 3.8Å; L2203-E2206 HydrophobicContact CD1-CG 4.16Å; L2203-E2206 WeakPolarHBondContact O-CB 3.48Å; L2203-E2206 PolarHBondContact O-N 3.35Å; R2204-E2206 VanDerWaalsContact C-N 3.31Å; R2204-E2206 PolarHBondContact O-N 3.37Å; E2206-R2208 VanDerWaalsContact C-N 3.3Å; E2206-R2208 PolarHBondContact O-N 2.87Å; E2206-R2209 CarbonylContact O-C 3.46Å; E2206-R2209 WeakPolarHBondContact O-CA 3.4Å; E2206-R2209 WeakPolarHBondContact O-CB 3.39Å; E2206-R2209 PolarHBondContact O-N 3.12Å; E2206-H2210 WeakPolarHBondContact O-CB 3.4Å; E2206-H2210 PolarHBondContact O-N 3.42Å
2207	T	77.3	Confident	75.7	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.8	-39.6	173.2	-45.9	0	0	0	0	111.4	Y2192 H2193 C2194 L2203 R2209 H2210 V2211 F2243	Y2192-T2207 VanDerWaalsContact CB-OG1 3.22Å; Y2192-T2207 WeakPolarHBondContact CB-OG1 3.38Å; Y2192-T2207 PolarHBondContact O-OG1 3.26Å; H2193-T2207 WeakPolarHBondContact O-CG2 3.16Å; C2194-T2207 HydrophobicContact CB-CG2 4.33Å; L2203-T2207 PolarHBondContact O-N 2.67Å; T2207-R2209 PolarHBondContact O-N 3.41Å; T2207-H2210 WeakPolarHBondContact O-CB 3.47Å; T2207-H2210 PolarHBondContact O-N 3.47Å; T2207-V2211 VanDerWaalsContact O-CG2 3.31Å; T2207-V2211 WeakPolarHBondContact O-CG2 3.26Å; T2207-V2211 PolarHBondContact O-N 3.37Å; T2207-F2243 HydrophobicContact CG2-CE1 3.91Å; T2207-F2243 HydrophobicContact CG2-CZ 4.09Å
2208	R	78.9	Confident	74.7	Confident	110 Å²	110	70 Å²	70	42%	0.415	34%	0.343	S	S	.	.	H	α-helix	trans	-62.6	-40.9	171.4	-177.4	-177.2	-88	-160	-8.4	111.5	R2204 E2206 V2211 V2212 I2239 F2243	R2204-R2208 WeakPolarHBondContact O-CB 3.35Å; R2204-R2208 PolarHBondContact O-N 3.39Å; E2206-R2208 VanDerWaalsContact C-N 3.3Å; E2206-R2208 PolarHBondContact O-N 2.87Å; R2208-V2211 PolarHBondContact O-N 3.18Å; R2208-V2212 WeakPolarHBondContact O-CB 3.37Å; R2208-V2212 VanDerWaalsContact O-CG2 3.28Å; R2208-V2212 WeakPolarHBondContact O-CG2 3.5Å; R2208-V2212 PolarHBondContact O-N 3.47Å; R2208-I2239 HydrophobicContact CG-CD1 4.27Å; R2208-I2239 HydrophobicContact CG-CG2 4.22Å; R2208-I2239 VanDerWaalsContact NE-CG2 3.27Å; R2208-I2239 VanDerWaalsContact NH2-CG2 3.31Å; R2208-F2243 HydrophobicContact CB-CE2 4.09Å; R2208-F2243 HydrophobicContact CB-CZ 4.08Å
2209	R	76.9	Confident	73.2	Confident	108 Å²	108	68.1 Å²	68.1	41%	0.408	33%	0.331	S	S	.	.	H	α-helix	trans	-69.7	-32.7	177.5	-166.7	-171.7	-55.9	127.2	5.3	112.6	G2205 E2206 T2207 R2213 V2220	G2205-R2209 WeakPolarHBondContact O-CB 3.38Å; G2205-R2209 PolarHBondContact O-N 3.27Å; E2206-R2209 CarbonylContact O-C 3.46Å; E2206-R2209 WeakPolarHBondContact O-CA 3.4Å; E2206-R2209 WeakPolarHBondContact O-CB 3.39Å; E2206-R2209 PolarHBondContact O-N 3.12Å; T2207-R2209 PolarHBondContact O-N 3.41Å; R2209-R2213 WeakPolarHBondContact O-CB 3.32Å; R2209-R2213 VanDerWaalsContact O-CG 3.28Å; R2209-R2213 WeakPolarHBondContact O-CG 3.47Å; R2209-R2213 PolarHBondContact O-N 3.01Å; R2209-V2220 HydrophobicContact CG-CG2 4.16Å
2210	H	81.7	Confident	71.4	Confident	22 Å²	22	67.7 Å²	67.7	10%	0.102	34%	0.336	C	S	.	.	H	α-helix	trans	-65.4	-52.3	171.7	168.7	92.2	0	0	0	109.9	C2197 Y2199 E2206 T2207 V2212 R2213 Q2214 H2215	C2197-H2210 PolarHBondContact SG-CE1 2.79Å; C2197-H2210 PolarHBondContact SG-NE2 3.15Å; C2197-H2210 VanDerWaalsContact SG-NE2 3.35Å; Y2199-H2210 WeakPolarHBondContact CB-CE1 3.45Å; Y2199-H2210 HydrophobicContact CD1-CB 3.8Å; Y2199-H2210 AromaticContact CD1-CD2 3.95Å; Y2199-H2210 AromaticContact CD1-CG 3.52Å; Y2199-H2210 AromaticContact CD1-ND1 3.69Å; Y2199-H2210 AromaticContact CD2-ND1 3.76Å; Y2199-H2210 HydrophobicContact CE1-CB 3.74Å; Y2199-H2210 AromaticContact CE1-CG 3.98Å; Y2199-H2210 HydrophobicContact CG-CB 4.42Å; Y2199-H2210 AromaticContact CG-CE1 3.69Å; Y2199-H2210 AromaticContact CG-CG 3.76Å; Y2199-H2210 AromaticContact CG-ND1 3.42Å; E2206-H2210 WeakPolarHBondContact O-CB 3.4Å; E2206-H2210 PolarHBondContact O-N 3.42Å; T2207-H2210 WeakPolarHBondContact O-CB 3.47Å; T2207-H2210 PolarHBondContact O-N 3.47Å; H2210-V2212 PolarHBondContact O-N 2.92Å; H2210-R2213 PolarHBondContact O-N 2.8Å; H2210-R2213 VanDerWaalsContact O-N 3.13Å; H2210-Q2214 PolarHBondContact O-N 2.91Å; H2210-H2215 AromaticContact CD2-NE2 3.22Å; H2210-H2215 PolarHBondContact CD2-NE2 3.33Å; H2210-H2215 AromaticContact CE1-NE2 3.38Å; H2210-H2215 PolarHBondContact CE1-NE2 3.3Å; H2210-H2215 AromaticContact NE2-CD2 3.78Å; H2210-H2215 AromaticContact NE2-NE2 2.35Å; H2210-H2215 PolarHBondContact NE2-NE2 3.47Å
2211	V	79.7	Confident	69.7	Low	1 Å²	1	68.2 Å²	68.2	1%	0.006	35%	0.35	C	S	.	.	I	π-helix	trans	-55.4	-49.9	176.8	170.2	0	0	0	0	111.7	C2194 T2207 R2208 R2213 H2215 I2216 C2242	C2194-V2211 VanDerWaalsContact SG-CG2 3.59Å; T2207-V2211 VanDerWaalsContact O-CG2 3.31Å; T2207-V2211 WeakPolarHBondContact O-CG2 3.26Å; T2207-V2211 PolarHBondContact O-N 3.37Å; R2208-V2211 PolarHBondContact O-N 3.18Å; V2211-R2213 VanDerWaalsContact C-N 3.26Å; V2211-R2213 PolarHBondContact O-N 3.15Å; V2211-H2215 WeakPolarHBondContact O-CA 3.34Å; V2211-H2215 PolarHBondContact O-N 3.29Å; V2211-I2216 HydrophobicContact CG1-CD1 3.97Å; V2211-I2216 HydrophobicContact CG1-CG1 4.24Å; V2211-I2216 PolarHBondContact O-N 3.45Å; V2211-C2242 HydrophobicContact CG2-CB 4.28Å
2212	V	77.4	Confident	67.7	Low	19 Å²	19	72 Å²	72	12%	0.115	37%	0.369	C	S	.	.	I	π-helix	trans	-61.1	-33.1	179.9	169.3	0	0	0	0	112.8	R2208 H2210 I2216 G2217 L2218 V2220 I2239	R2208-V2212 WeakPolarHBondContact O-CB 3.37Å; R2208-V2212 VanDerWaalsContact O-CG2 3.28Å; R2208-V2212 WeakPolarHBondContact O-CG2 3.5Å; R2208-V2212 PolarHBondContact O-N 3.47Å; H2210-V2212 PolarHBondContact O-N 2.92Å; V2212-I2216 HydrophobicContact CG2-CD1 4.37Å; V2212-G2217 PolarHBondContact O-N 2.52Å; V2212-G2217 VanDerWaalsContact O-N 3.16Å; V2212-L2218 WeakPolarHBondContact CG1-O 3.46Å; V2212-L2218 PolarHBondContact O-N 2.83Å; V2212-L2218 VanDerWaalsContact O-N 3.12Å; V2212-V2220 HydrophobicContact CG1-CG2 4.08Å; V2212-I2239 HydrophobicContact CG2-CD1 3.94Å; V2212-I2239 HydrophobicContact CG2-CG1 4.48Å
2213	R	72.1	Confident	66.1	Low	154 Å²	154	77.8 Å²	77.8	58%	0.581	40%	0.404	S	S	*	.	I	π-helix	trans	-86.4	-47.3	-179.4	-74.3	177	175.8	-176.2	-3.8	114.3	R2209 H2210 V2211 G2217 V2220	R2209-R2213 WeakPolarHBondContact O-CB 3.32Å; R2209-R2213 VanDerWaalsContact O-CG 3.28Å; R2209-R2213 WeakPolarHBondContact O-CG 3.47Å; R2209-R2213 PolarHBondContact O-N 3.01Å; H2210-R2213 PolarHBondContact O-N 2.8Å; H2210-R2213 VanDerWaalsContact O-N 3.13Å; V2211-R2213 VanDerWaalsContact C-N 3.26Å; V2211-R2213 PolarHBondContact O-N 3.15Å; R2213-G2217 WeakPolarHBondContact O-CA 3.42Å; R2213-V2220 HydrophobicContact CG-CG2 4.33Å
2214	Q	69.5	Low	64.5	Low	139 Å²	139	77.5 Å²	77.5	65%	0.65	40%	0.4	S	S	*	.	I	π-helix	trans	-92.9	-27	-170.6	-59	-64.5	46	0	0	113.4	H2210	H2210-Q2214 PolarHBondContact O-N 2.91Å
2215	H	72.3	Confident	63.1	Low	81 Å²	81	79.4 Å²	79.4	38%	0.375	41%	0.412	S	S	.	.	I	π-helix	trans	-114.3	-21.6	-175.1	-57.1	-53.2	0	0	0	113.5	C2194 Y2196 C2197 H2210 V2211	C2194-H2215 PolarHBondContact SG-CD2 3.32Å; C2194-H2215 PolarHBondContact SG-NE2 2.25Å; Y2196-H2215 HydrophobicContact CD2-CB 4.03Å; Y2196-H2215 AromaticContact CD2-CD2 3.91Å; Y2196-H2215 AromaticContact CD2-CG 3.86Å; Y2196-H2215 PolarHBondContact O-CE1 3.05Å; C2197-H2215 WeakPolarHBondContact CB-CE1 3.47Å; C2197-H2215 VanDerWaalsContact CB-NE2 3.33Å; C2197-H2215 WeakPolarHBondContact CB-NE2 3.49Å; C2197-H2215 PolarHBondContact SG-NE2 2.8Å; H2210-H2215 AromaticContact CD2-NE2 3.22Å; H2210-H2215 PolarHBondContact CD2-NE2 3.33Å; H2210-H2215 AromaticContact CE1-NE2 3.38Å; H2210-H2215 PolarHBondContact CE1-NE2 3.3Å; H2210-H2215 AromaticContact NE2-CD2 3.78Å; H2210-H2215 AromaticContact NE2-NE2 2.35Å; H2210-H2215 PolarHBondContact NE2-NE2 3.47Å; V2211-H2215 WeakPolarHBondContact O-CA 3.34Å; V2211-H2215 PolarHBondContact O-N 3.29Å
2216	I	74	Confident	61.8	Low	35 Å²	35	86 Å²	86	18%	0.179	43%	0.431	C	S	.	.	S	Bend	trans	-109.8	-17.3	176.1	-51.7	-179.7	0	0	0	111.6	V2211 V2212 L2218 V2235 M2238 I2239	V2211-I2216 HydrophobicContact CG1-CD1 3.97Å; V2211-I2216 HydrophobicContact CG1-CG1 4.24Å; V2211-I2216 PolarHBondContact O-N 3.45Å; V2212-I2216 HydrophobicContact CG2-CD1 4.37Å; I2216-L2218 HydrophobicContact CG2-CB 4.37Å; I2216-L2218 HydrophobicContact CG2-CD1 3.93Å; I2216-L2218 HydrophobicContact CG2-CG 4.11Å; I2216-L2218 PolarHBondContact O-N 3.16Å; I2216-L2218 VanDerWaalsContact O-N 3.11Å; I2216-V2235 HydrophobicContact CD1-CG1 4.25Å; I2216-V2235 HydrophobicContact CG2-CG2 4.13Å; I2216-M2238 HydrophobicContact CD1-CB 4.34Å; I2216-I2239 HydrophobicContact CD1-CG1 4.3Å
2217	G	55.2	Low	60	Low	62 Å²	62	89 Å²	89	64%	0.639	46%	0.456	S	S	*	.			trans	68.3	3.1	176.2	0	0	0	0	0	116.2	V2212 R2213	V2212-G2217 PolarHBondContact O-N 2.52Å; V2212-G2217 VanDerWaalsContact O-N 3.16Å; R2213-G2217 WeakPolarHBondContact O-CA 3.42Å
2218	L	56.3	Low	58.3	Low	69 Å²	69	94.5 Å²	94.5	36%	0.361	48%	0.482	S	S	.	.			trans	-96.6	143.7	-170.8	-71	177.9	0	0	0	113.4	V2212 I2216 I2222 V2235	V2212-L2218 WeakPolarHBondContact CG1-O 3.46Å; V2212-L2218 PolarHBondContact O-N 2.83Å; V2212-L2218 VanDerWaalsContact O-N 3.12Å; I2216-L2218 HydrophobicContact CG2-CB 4.37Å; I2216-L2218 HydrophobicContact CG2-CD1 3.93Å; I2216-L2218 HydrophobicContact CG2-CG 4.11Å; I2216-L2218 PolarHBondContact O-N 3.16Å; I2216-L2218 VanDerWaalsContact O-N 3.11Å; L2218-I2222 HydrophobicContact CD2-CD1 4.33Å; L2218-V2235 HydrophobicContact CD1-CG2 4.46Å
2219	P	40.8	Very low	57	Low	86 Å²	86	93.4 Å²	93.4	56%	0.558	49%	0.487	S	S	*	.			trans	-69.5	135.6	172.6	28.7	-32.9	0	0	0	110.9	N2221 I2222	P2219-N2221 PolarHBondContact O-N 3.26Å; P2219-I2222 HydrophobicContact CG-CD1 3.87Å; P2219-I2222 HydrophobicContact CG-CG1 4.12Å
2220	V	45.2	Very low	55.9	Low	75 Å²	75	92.1 Å²	92.1	46%	0.455	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-2.8	-161.9	-173.8	0	0	0	0	115.5	R2209 V2212 R2213	R2209-V2220 HydrophobicContact CG-CG2 4.16Å; V2212-V2220 HydrophobicContact CG1-CG2 4.08Å; R2213-V2220 HydrophobicContact CG-CG2 4.33Å
2221	N	40.3	Very low	54.4	Low	156 Å²	156	93.1 Å²	93.1	83%	0.834	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	45.9	-173.5	-70.6	-20.8	0	0	0	113.2	P2219	P2219-N2221 PolarHBondContact O-N 3.26Å
2222	I	39.4	Very low	53.4	Low	86 Å²	86	98.1 Å²	98.1	44%	0.441	53%	0.533	S	S	.	.			trans	-89.8	124.3	168.7	-64.5	177.4	0	0	0	109.7	L2218 P2219	L2218-I2222 HydrophobicContact CD2-CD1 4.33Å; P2219-I2222 HydrophobicContact CG-CD1 3.87Å; P2219-I2222 HydrophobicContact CG-CG1 4.12Å
2223	V	41.4	Very low	52.8	Low	133 Å²	133	102 Å²	102	81%	0.806	55%	0.55	S	S	*	*			trans	-90.8	105.1	164.2	179.1	0	0	0	0	107	K2225	V2223-K2225 PolarHBondContact O-N 2.91Å
2224	F	45.2	Very low	52.3	Low	54 Å²	54	101.1 Å²	101.1	24%	0.237	55%	0.551	C	S	.	*			trans	-55.3	125.8	172.9	-61.2	-90.8	0	0	0	109.7	A2231 K2232 V2235	F2224-A2231 HydrophobicContact CD1-CB 4.22Å; F2224-A2231 HydrophobicContact CE1-CB 3.87Å; F2224-K2232 HydrophobicContact CB-CB 4.29Å; F2224-K2232 HydrophobicContact CB-CD 4.43Å; F2224-K2232 HydrophobicContact CD1-CB 4.04Å; F2224-K2232 HydrophobicContact CD2-CB 3.59Å; F2224-K2232 HydrophobicContact CD2-CD 4.02Å; F2224-K2232 HydrophobicContact CD2-CG 3.61Å; F2224-K2232 HydrophobicContact CE1-CB 4.25Å; F2224-K2232 HydrophobicContact CE2-CB 3.82Å; F2224-K2232 HydrophobicContact CE2-CG 3.86Å; F2224-K2232 HydrophobicContact CG-CB 3.71Å; F2224-K2232 HydrophobicContact CG-CD 4.43Å; F2224-K2232 HydrophobicContact CG-CG 4.19Å; F2224-K2232 HydrophobicContact CZ-CB 4.14Å; F2224-V2235 HydrophobicContact CZ-CG2 4.39Å
2225	K	45.1	Very low	51.8	Low	170 Å²	170	95.8 Å²	95.8	74%	0.739	53%	0.527	S	S	*	.			trans	-79.9	158.6	170.4	-73.7	-174.3	175.9	-177.9	0	109.8	V2223 P2227 E2228	V2223-K2225 PolarHBondContact O-N 2.91Å; K2225-P2227 VanDerWaalsContact C-CD 3.42Å; K2225-P2227 VanDerWaalsContact O-N 3.13Å; K2225-E2228 PolarHBondContact O-N 3.29Å
2226	E	49.7	Very low	51.2	Low	183 Å²	183	95.1 Å²	95.1	86%	0.855	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-59.9	-27.2	-158	-64.1	177	135.6	0	0	117	E2228 V2229	E2226-E2228 VanDerWaalsContact C-N 3.3Å; E2226-E2228 PolarHBondContact O-N 2.97Å; E2226-V2229 WeakPolarHBondContact O-CG2 3.45Å
2227	P	41.9	Very low	50.6	Low	127 Å²	127	100.3 Å²	100.3	83%	0.825	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-68	-20.3	172.5	-23.6	35.8	0	0	0	115.4	K2225	K2225-P2227 VanDerWaalsContact C-CD 3.42Å; K2225-P2227 VanDerWaalsContact O-N 3.13Å
2228	E	40.5	Very low	50.5	Low	115 Å²	115	100.8 Å²	100.8	54%	0.537	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-101	24.8	-168.7	-63.1	-175.5	161	0	0	114.4	K2225 E2226 A2230 A2231 K2232	K2225-E2228 PolarHBondContact O-N 3.29Å; E2226-E2228 VanDerWaalsContact C-N 3.3Å; E2226-E2228 PolarHBondContact O-N 2.97Å; E2228-A2230 PolarHBondContact O-N 3.07Å; E2228-A2230 VanDerWaalsContact O-N 3.16Å; E2228-A2231 WeakPolarHBondContact O-CB 3.31Å; E2228-A2231 PolarHBondContact O-N 2.77Å; E2228-K2232 PolarHBondContact O-N 2.86Å
2229	V	52.9	Low	50.5	Low	87 Å²	87	97.9 Å²	97.9	53%	0.527	52%	0.515	S	S	.	.	H	α-helix	trans	-56.4	-34.3	-177.1	172.8	0	0	0	0	112.8	E2226 A2231 K2232 E2233	E2226-V2229 WeakPolarHBondContact O-CG2 3.45Å; V2229-A2231 VanDerWaalsContact C-N 3.3Å; V2229-A2231 PolarHBondContact O-N 2.91Å; V2229-K2232 WeakPolarHBondContact O-CB 3.33Å; V2229-K2232 PolarHBondContact O-N 2.91Å; V2229-E2233 PolarHBondContact O-N 3.36Å
2230	A	54.4	Low	51.5	Low	80 Å²	80	99.4 Å²	99.4	66%	0.661	52%	0.515	S	S	*	.	H	α-helix	trans	-61.1	-34.6	176.3	0	0	0	0	0	113.3	E2228 K2234	E2228-A2230 PolarHBondContact O-N 3.07Å; E2228-A2230 VanDerWaalsContact O-N 3.16Å; A2230-K2234 WeakPolarHBondContact O-CB 3.35Å; A2230-K2234 PolarHBondContact O-N 3.27Å
2231	A	49.7	Very low	51.7	Low	44 Å²	44	102.8 Å²	102.8	36%	0.364	53%	0.526	S	S	.	.	H	α-helix	trans	-70.1	-41.3	176.5	0	0	0	0	0	111.3	F2224 E2228 V2229 E2233 K2234 V2235	F2224-A2231 HydrophobicContact CD1-CB 4.22Å; F2224-A2231 HydrophobicContact CE1-CB 3.87Å; E2228-A2231 WeakPolarHBondContact O-CB 3.31Å; E2228-A2231 PolarHBondContact O-N 2.77Å; V2229-A2231 VanDerWaalsContact C-N 3.3Å; V2229-A2231 PolarHBondContact O-N 2.91Å; A2231-E2233 VanDerWaalsContact C-N 3.34Å; A2231-E2233 PolarHBondContact O-N 2.88Å; A2231-K2234 PolarHBondContact O-N 2.98Å; A2231-V2235 WeakPolarHBondContact O-CG2 3.21Å; A2231-V2235 PolarHBondContact O-N 3.28Å
2232	K	57.8	Low	52.1	Low	106 Å²	106	96.1 Å²	96.1	46%	0.461	49%	0.491	S	S	.	.	H	α-helix	trans	-59	-44.2	174.9	-175.8	-177.7	176.4	-172.4	0	112	F2224 E2228 V2229 V2235 N2236	F2224-K2232 HydrophobicContact CB-CB 4.29Å; F2224-K2232 HydrophobicContact CB-CD 4.43Å; F2224-K2232 HydrophobicContact CD1-CB 4.04Å; F2224-K2232 HydrophobicContact CD2-CB 3.59Å; F2224-K2232 HydrophobicContact CD2-CD 4.02Å; F2224-K2232 HydrophobicContact CD2-CG 3.61Å; F2224-K2232 HydrophobicContact CE1-CB 4.25Å; F2224-K2232 HydrophobicContact CE2-CB 3.82Å; F2224-K2232 HydrophobicContact CE2-CG 3.86Å; F2224-K2232 HydrophobicContact CG-CB 3.71Å; F2224-K2232 HydrophobicContact CG-CD 4.43Å; F2224-K2232 HydrophobicContact CG-CG 4.19Å; F2224-K2232 HydrophobicContact CZ-CB 4.14Å; E2228-K2232 PolarHBondContact O-N 2.86Å; V2229-K2232 WeakPolarHBondContact O-CB 3.33Å; V2229-K2232 PolarHBondContact O-N 2.91Å; K2232-V2235 PolarHBondContact O-N 2.93Å; K2232-N2236 PolarHBondContact O-N 3.4Å
2233	E	65.2	Low	52.6	Low	101 Å²	101	93.7 Å²	93.7	47%	0.472	48%	0.477	S	S	.	.	H	α-helix	trans	-72.4	-37.3	-179.2	-162.9	-175	-106.4	0	0	112.6	V2229 A2231 V2235 N2236 R2237	V2229-E2233 PolarHBondContact O-N 3.36Å; A2231-E2233 VanDerWaalsContact C-N 3.34Å; A2231-E2233 PolarHBondContact O-N 2.88Å; E2233-V2235 VanDerWaalsContact C-N 3.35Å; E2233-V2235 PolarHBondContact O-N 2.69Å; E2233-N2236 PolarHBondContact O-N 3.45Å; E2233-R2237 PolarHBondContact O-N 3.03Å; E2233-R2237 IonicContact OE2-CZ 2.67Å; E2233-R2237 IonicContact OE2-NE 3.68Å; E2233-R2237 IonicContact OE2-NH2 2.7Å; E2233-R2237 PolarHBondContact OE2-NH2 3.37Å
2234	K	61.2	Low	52.1	Low	135 Å²	135	90.8 Å²	90.8	59%	0.587	47%	0.474	S	S	*	.	H	α-helix	trans	-60.1	-43.4	171.8	-173	176.1	-178.9	179.6	0	111.8	A2230 A2231 R2237 M2238	A2230-K2234 WeakPolarHBondContact O-CB 3.35Å; A2230-K2234 PolarHBondContact O-N 3.27Å; A2231-K2234 PolarHBondContact O-N 2.98Å; K2234-R2237 PolarHBondContact O-N 3.29Å; K2234-M2238 WeakPolarHBondContact O-CG 3.42Å; K2234-M2238 PolarHBondContact O-N 3.21Å; K2234-M2238 VanDerWaalsContact O-N 3.1Å
2235	V	59.6	Low	51.3	Low	26 Å²	26	94.5 Å²	94.5	16%	0.158	50%	0.502	C	S	.	.	H	α-helix	trans	-64.8	-39.9	175.3	168.5	0	0	0	0	111.8	I2216 L2218 F2224 A2231 K2232 E2233 I2239	I2216-V2235 HydrophobicContact CD1-CG1 4.25Å; I2216-V2235 HydrophobicContact CG2-CG2 4.13Å; L2218-V2235 HydrophobicContact CD1-CG2 4.46Å; F2224-V2235 HydrophobicContact CZ-CG2 4.39Å; A2231-V2235 WeakPolarHBondContact O-CG2 3.21Å; A2231-V2235 PolarHBondContact O-N 3.28Å; K2232-V2235 PolarHBondContact O-N 2.93Å; E2233-V2235 VanDerWaalsContact C-N 3.35Å; E2233-V2235 PolarHBondContact O-N 2.69Å; V2235-I2239 HydrophobicContact CG1-CD1 3.86Å; V2235-I2239 WeakPolarHBondContact O-CB 3.46Å; V2235-I2239 VanDerWaalsContact O-CG1 3.28Å; V2235-I2239 WeakPolarHBondContact O-CG1 3.45Å; V2235-I2239 PolarHBondContact O-N 2.77Å
2236	N	59.1	Low	50.3	Low	68 Å²	68	93.2 Å²	93.2	36%	0.364	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-47.2	175.3	-77.5	-11.4	0	0	0	112.2	K2232 E2233 M2238 I2239 E2240	K2232-N2236 PolarHBondContact O-N 3.4Å; E2233-N2236 PolarHBondContact O-N 3.45Å; N2236-M2238 PolarHBondContact O-N 2.8Å; N2236-I2239 CarbonylContact O-C 3.36Å; N2236-I2239 WeakPolarHBondContact O-CA 3.39Å; N2236-I2239 WeakPolarHBondContact O-CB 3.46Å; N2236-I2239 PolarHBondContact O-N 3.05Å; N2236-E2240 WeakPolarHBondContact O-CG 3.5Å; N2236-E2240 PolarHBondContact O-N 3.35Å
2237	R	62.7	Low	49.1	Very low	143 Å²	143	87.7 Å²	87.7	54%	0.54	50%	0.503	S	S	.	.	H	α-helix	trans	-60	-42	177.5	-83	-174.8	-93.9	169.7	-10.6	113	E2233 K2234 I2239 E2240 Q2241	E2233-R2237 PolarHBondContact O-N 3.03Å; E2233-R2237 IonicContact OE2-CZ 2.67Å; E2233-R2237 IonicContact OE2-NE 3.68Å; E2233-R2237 IonicContact OE2-NH2 2.7Å; E2233-R2237 PolarHBondContact OE2-NH2 3.37Å; K2234-R2237 PolarHBondContact O-N 3.29Å; R2237-I2239 VanDerWaalsContact C-N 3.3Å; R2237-I2239 PolarHBondContact O-N 3.31Å; R2237-E2240 PolarHBondContact O-N 3.13Å; R2237-Q2241 WeakPolarHBondContact O-CG 3.45Å; R2237-Q2241 PolarHBondContact O-N 3.39Å
2238	M	51.8	Low	48.3	Very low	72 Å²	72	88.6 Å²	88.6	36%	0.355	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-35.8	173.7	-75.9	176	149	0	0	112.7	I2216 K2234 N2236 C2242	I2216-M2238 HydrophobicContact CD1-CB 4.34Å; K2234-M2238 WeakPolarHBondContact O-CG 3.42Å; K2234-M2238 PolarHBondContact O-N 3.21Å; K2234-M2238 VanDerWaalsContact O-N 3.1Å; N2236-M2238 PolarHBondContact O-N 2.8Å; M2238-C2242 PolarHBondContact O-SG 3.12Å
2239	I	57.8	Low	47.3	Very low	9 Å²	9	89.7 Å²	89.7	5%	0.046	52%	0.521	C	S	.	.	H	α-helix	trans	-70	-36.8	174.6	-75.7	170.2	0	0	0	111.4	R2208 V2212 I2216 V2235 N2236 R2237 C2242 F2243	R2208-I2239 HydrophobicContact CG-CD1 4.27Å; R2208-I2239 HydrophobicContact CG-CG2 4.22Å; R2208-I2239 VanDerWaalsContact NE-CG2 3.27Å; R2208-I2239 VanDerWaalsContact NH2-CG2 3.31Å; V2212-I2239 HydrophobicContact CG2-CD1 3.94Å; V2212-I2239 HydrophobicContact CG2-CG1 4.48Å; I2216-I2239 HydrophobicContact CD1-CG1 4.3Å; V2235-I2239 HydrophobicContact CG1-CD1 3.86Å; V2235-I2239 WeakPolarHBondContact O-CB 3.46Å; V2235-I2239 VanDerWaalsContact O-CG1 3.28Å; V2235-I2239 WeakPolarHBondContact O-CG1 3.45Å; V2235-I2239 PolarHBondContact O-N 2.77Å; N2236-I2239 CarbonylContact O-C 3.36Å; N2236-I2239 WeakPolarHBondContact O-CA 3.39Å; N2236-I2239 WeakPolarHBondContact O-CB 3.46Å; N2236-I2239 PolarHBondContact O-N 3.05Å; R2237-I2239 VanDerWaalsContact C-N 3.3Å; R2237-I2239 PolarHBondContact O-N 3.31Å; I2239-C2242 WeakPolarHBondContact O-CB 3.29Å; I2239-C2242 PolarHBondContact O-N 3.14Å; I2239-F2243 HydrophobicContact CG2-CD2 4.45Å; I2239-F2243 HydrophobicContact CG2-CE2 4.28Å; I2239-F2243 WeakPolarHBondContact O-CD2 3.41Å
2240	E	59.9	Low	45.8	Very low	117 Å²	117	97.6 Å²	97.6	55%	0.547	54%	0.541	S	S	.	.	H	α-helix	trans	-70.2	-42.1	179.8	-76.6	152.6	-171.8	0	0	112.1	N2236 R2237 C2242 F2243	N2236-E2240 WeakPolarHBondContact O-CG 3.5Å; N2236-E2240 PolarHBondContact O-N 3.35Å; R2237-E2240 PolarHBondContact O-N 3.13Å; E2240-C2242 PolarHBondContact O-N 3.18Å; E2240-C2242 VanDerWaalsContact O-N 3.09Å; E2240-F2243 PolarHBondContact O-N 3.34Å
2241	Q	50.8	Low	44.2	Very low	147 Å²	147	97 Å²	97	69%	0.687	54%	0.543	S	S	*	.	H	α-helix	trans	-56.5	-24.6	172.8	-73.6	176.8	-17.3	0	0	113.4	R2237 F2243	R2237-Q2241 WeakPolarHBondContact O-CG 3.45Å; R2237-Q2241 PolarHBondContact O-N 3.39Å; Q2241-F2243 VanDerWaalsContact C-N 3.34Å; Q2241-F2243 PolarHBondContact O-N 3.04Å
2242	C	47.1	Very low	43.6	Very low	15 Å²	15	101 Å²	101	10%	0.101	57%	0.565	C	S	.	*	T	Hydrogen-bonded Turn	trans	-80.1	-4.3	176.8	-66.2	0	0	0	0	115	Y2196 V2211 M2238 I2239 E2240	Y2196-C2242 VanDerWaalsContact CE2-SG 3.55Å; V2211-C2242 HydrophobicContact CG2-CB 4.28Å; M2238-C2242 PolarHBondContact O-SG 3.12Å; I2239-C2242 WeakPolarHBondContact O-CB 3.29Å; I2239-C2242 PolarHBondContact O-N 3.14Å; E2240-C2242 PolarHBondContact O-N 3.18Å; E2240-C2242 VanDerWaalsContact O-N 3.09Å
2243	F	50.7	Low	41.9	Very low	35 Å²	35	101.5 Å²	101.5	15%	0.154	58%	0.582	C	S	.	*	T	Hydrogen-bonded Turn	trans	-135.2	40	-171.3	-62.9	-61.1	0	0	0	114.4	R2204 T2207 R2208 I2239 E2240 Q2241	R2204-F2243 HydrophobicContact CG-CD1 3.95Å; R2204-F2243 HydrophobicContact CG-CE1 3.75Å; R2204-F2243 HydrophobicContact CG-CE2 4.43Å; R2204-F2243 HydrophobicContact CG-CG 4.38Å; R2204-F2243 HydrophobicContact CG-CZ 4.01Å; T2207-F2243 HydrophobicContact CG2-CE1 3.91Å; T2207-F2243 HydrophobicContact CG2-CZ 4.09Å; R2208-F2243 HydrophobicContact CB-CE2 4.09Å; R2208-F2243 HydrophobicContact CB-CZ 4.08Å; I2239-F2243 HydrophobicContact CG2-CD2 4.45Å; I2239-F2243 HydrophobicContact CG2-CE2 4.28Å; I2239-F2243 WeakPolarHBondContact O-CD2 3.41Å; E2240-F2243 PolarHBondContact O-N 3.34Å; Q2241-F2243 VanDerWaalsContact C-N 3.34Å; Q2241-F2243 PolarHBondContact O-N 3.04Å
2244	G	32.1	Very low	39.8	Very low	72 Å²	72	101.6 Å²	101.6	74%	0.742	59%	0.594	S	S	*	*			trans	-62.6	162.5	168.7	0	0	0	0	0	114
2245	T	28.4	Very low	37.7	Very low	133 Å²	133	106 Å²	106	82%	0.816	61%	0.607	S	S	*	*			trans	-83.2	150.2	-175.9	39.3	0	0	0	0	113.3	G2247	T2245-G2247 PolarHBondContact O-N 3.36Å
2246	P	23.6	Very low	35.9	Very low	143 Å²	143	110.7 Å²	110.7	93%	0.929	64%	0.636	S	S	*	*			trans	-85	92.6	-178.3	33.2	-34.1	0	0	0	112.8
2247	G	24.6	Very low	34.1	Very low	67 Å²	67	113.7 Å²	113.7	69%	0.691	66%	0.657	S	S	*	*			trans	-177.3	140.7	165.6	0	0	0	0	0	109.7	T2245	T2245-G2247 PolarHBondContact O-N 3.36Å
2248	T	23.9	Very low	32.1	Very low	146 Å²	146	111.9 Å²	111.9	90%	0.896	67%	0.666	S	S	*	*			cis	-120.2	173.2	10.8	51.5	0	0	0	0	112.8
2249	T	20.9	Very low	30.8	Very low	137 Å²	137	113.5 Å²	113.5	84%	0.84	68%	0.684	S	S	*	*			trans	-78.5	126.1	175.2	49	0	0	0	0	112.6
2250	R	21.7	Very low	29.1	Very low	254 Å²	254	121.4 Å²	121.4	96%	0.958	72%	0.721	S	S	*	*			trans	-152.9	150.7	139.5	-116.9	173.2	-173.1	-168.7	0.7	112.1
2251	G	20.4	Very low	27.2	Very low	68 Å²	68	122.1 Å²	122.1	70%	0.701	73%	0.729	S	S	*	*			trans	-81.7	-175.7	-176.6	0	0	0	0	0	114.2
2252	P	36	Very low	25.8	Very low	126 Å²	126	123.7 Å²	123.7	82%	0.818	73%	0.733	S	S	*	*			trans	-87.6	161	-166	35.5	-37.2	0	0	0	114.2
2253	S	21.6	Very low	24.6	Very low	117 Å²	117	129.6 Å²	129.6	82%	0.818	76%	0.764	S	S	*	*			trans	-158.2	161.7	150.1	-84.5	0	0	0	0	112.1
2254	S	21.5	Very low	23.1	Very low	104 Å²	104	136.1 Å²	136.1	73%	0.727	79%	0.792	S	S	*	*			trans	-20.2	135.6	172	44.8	0	0	0	0	118
2255	R	18.5	Very low	22.5	Very low	227 Å²	227	141.4 Å²	141.4	86%	0.857	80%	0.797	S	S	*	*				76.7	131.7	50.5	-165.9	-168.8	-161.7	-170.9	7.3	111.9
2256	T	21	Very low	22	Very low	125 Å²	125	140.5 Å²	140.5	77%	0.767	80%	0.797	S	S	*	*			trans	70.8	139.4	-173.2	73.2	0	0	0	0	113.6
2257	T	22.2	Very low	22.1	Very low	130 Å²	130	138.7 Å²	138.7	80%	0.798	79%	0.785	S	S	*	*			cis	-150.1	179.6	0.9	-11.5	0	0	0	0	112.3
2258	S	20.2	Very low	21.9	Very low	105 Å²	105	143.3 Å²	143.3	73%	0.734	79%	0.789	S	S	*	*			trans	-46.8	159.4	168.6	51.2	0	0	0	0	115.5
2259	S	23	Very low	22	Very low	106 Å²	106	142.9 Å²	142.9	74%	0.741	78%	0.781	S	S	*	*			cis	-139.8	152.7	15.3	-59.7	0	0	0	0	109.6
2260	Q	22	Very low	22.4	Very low	175 Å²	175	145.8 Å²	145.8	82%	0.818	78%	0.781	S	S	*	*				62.7	128.3	57.9	-75.3	-158.2	2.4	0	0	117.1
2261	N	21.5	Very low	22.5	Very low	133 Å²	133	138.4 Å²	138.4	71%	0.711	77%	0.769	S	S	*	*			trans	68.1	125.4	-179.6	-66.4	-30.6	0	0	0	115.4
2262	K	20.5	Very low	22.6	Very low	180 Å²	180	142.9 Å²	142.9	78%	0.783	78%	0.776	S	S	*	*				57.4	115.7	71.4	-64.2	-179.7	177.7	179.5	0	110.1
2263	D	21.5	Very low	22	Very low	138 Å²	138	143.1 Å²	143.1	74%	0.738	78%	0.779	S	S	*	*				-152	-145.5	56.5	-135.3	-78.6	0	0	0	113.7
2264	K	20.5	Very low	22	Very low	172 Å²	172	140.4 Å²	140.4	75%	0.748	77%	0.77	S	S	*	*			trans	-74	171.6	-172.9	-61.2	158.7	-170.2	168.1	0	115.6
2265	Q	18.5	Very low	22	Very low	183 Å²	183	143.2 Å²	143.2	86%	0.855	78%	0.777	S	S	*	*			trans	78.7	124	162.3	-68.5	161.1	-80.7	0	0	117.5
2266	S	19.2	Very low	22.2	Very low	115 Å²	115	136.6 Å²	136.6	80%	0.804	77%	0.77	S	S	*	*			trans	-64.4	146.6	154.3	51.4	0	0	0	0	110.5
2267	P	24.6	Very low	22.3	Very low	104 Å²	104	136.1 Å²	136.1	68%	0.675	77%	0.772	S	S	*	*				-140.4	-167.1	105.2	41.4	-30.3	0	0	0	113.9
2268	E	21.5	Very low	22.4	Very low	165 Å²	165	133.7 Å²	133.7	77%	0.771	77%	0.765	S	S	*	*			trans	81.2	107.7	157.4	-72	161.5	-154.4	0	0	120.8
2269	D	24.3	Very low	22.5	Very low	136 Å²	136	137.7 Å²	137.7	73%	0.727	77%	0.77	S	S	*	*				75.4	94	124.8	-63.4	6.3	0	0	0	122.7
2270	K	30.7	Very low	22.4	Very low	198 Å²	198	140.3 Å²	140.3	86%	0.861	77%	0.772	S	S	*	*				-170	93.5	116.3	-91.9	136.8	-162.2	148.4	0	109.7
2271	S	24	Very low	22.4	Very low	100 Å²	100	138.8 Å²	138.8	70%	0.699	78%	0.775	S	S	*	*				79.5	127.8	85.7	69.4	0	0	0	0	114
2272	L	21.9	Very low	22.5	Very low	162 Å²	162	137.3 Å²	137.3	85%	0.848	78%	0.78	S	S	*	*			cis	-163.8	164	-5.3	-124.8	170.2	0	0	0	109.4
2273	C	22.9	Very low	22.6	Very low	130 Å²	130	133 Å²	133	88%	0.878	78%	0.778	S	S	*	*			trans	61.4	148.7	-178.4	87.4	0	0	0	0	117.1
2274	G	21.6	Very low	22.6	Very low	61 Å²	61	131.5 Å²	131.5	63%	0.629	78%	0.779	S	S	*	*			cis	176.9	140.8	-10	0	0	0	0	0	111.9
2275	D	23.1	Very low	22.6	Very low	162 Å²	162	130.4 Å²	130.4	87%	0.866	78%	0.781	S	S	*	*			trans	60.7	124.4	168.4	-58.8	-48.7	0	0	0	117.8
2276	A	22.7	Very low	22.8	Very low	88 Å²	88	125.3 Å²	125.3	73%	0.727	77%	0.766	S	S	*	*				77.9	144.8	61.8	0	0	0	0	0	112.6
2277	S	22.5	Very low	23	Very low	115 Å²	115	128.4 Å²	128.4	80%	0.804	77%	0.765	S	S	*	*			cis	-162.6	172.3	-0.2	-137.5	0	0	0	0	112.6
2278	A	23.9	Very low	22.8	Very low	79 Å²	79	129.5 Å²	129.5	65%	0.653	77%	0.765	S	S	*	*			trans	52.1	122	144.2	0	0	0	0	0	123.5
2279	K	22.5	Very low	22.9	Very low	189 Å²	189	128 Å²	128	82%	0.822	76%	0.762	S	S	*	*				57.4	149.1	119.7	-62.2	-179.1	177.9	177.3	0	123.4
2280	M	21.6	Very low	22.7	Very low	162 Å²	162	129.3 Å²	129.3	80%	0.798	77%	0.769	S	S	*	*			trans	86	111.3	136	-91.4	167.5	155.1	0	0	121.5
2281	V	21.4	Very low	22.5	Very low	143 Å²	143	123.6 Å²	123.6	87%	0.867	77%	0.766	S	S	*	*				26.4	104.3	117.3	-171.3	0	0	0	0	117.1
2282	A	23.4	Very low	22.4	Very low	101 Å²	101	126.1 Å²	126.1	84%	0.835	77%	0.772	S	S	*	*			trans	-149	169	141.4	0	0	0	0	0	108.1
2283	A	21.8	Very low	22.6	Very low	89 Å²	89	125 Å²	125	74%	0.736	77%	0.772	S	S	*	*			trans	-137.9	167.8	-175.5	0	0	0	0	0	112.2
2284	S	21.6	Very low	22.7	Very low	108 Å²	108	123.4 Å²	123.4	76%	0.755	76%	0.762	S	S	*	*			trans	83.4	126.3	153.5	-49.4	0	0	0	0	119.4
2285	N	21	Very low	22.8	Very low	148 Å²	148	126.8 Å²	126.8	79%	0.791	77%	0.771	S	S	*	*				85.8	135.1	129.2	-113.5	-27.9	0	0	0	122.7
2286	S	22.9	Very low	22.8	Very low	77 Å²	77	127.2 Å²	127.2	54%	0.538	77%	0.768	S	S	.	*			trans	71.7	115.8	133.1	-77.6	0	0	0	0	122.2
2287	K	23.3	Very low	22.8	Very low	179 Å²	179	128.7 Å²	128.7	78%	0.778	77%	0.767	S	S	*	*				79	145.8	120.7	-68.3	178.6	-178.7	-178.1	0	121.1
2288	N	21.3	Very low	22.8	Very low	128 Å²	128	127.2 Å²	127.2	68%	0.684	76%	0.763	S	S	*	*			trans	73.7	126.3	147.6	-76.8	27	0	0	0	120.4
2289	N	21.6	Very low	22.7	Very low	133 Å²	133	129.1 Å²	129.1	71%	0.711	77%	0.771	S	S	*	*			trans	71.7	128.1	135	-59.2	3.1	0	0	0	120.5
2290	N	21.4	Very low	22.8	Very low	164 Å²	164	123.9 Å²	123.9	88%	0.877	77%	0.771	S	S	*	*			trans	14.1	115.9	132	-54.8	4.3	0	0	0	117.2
2291	G	25.6	Very low	22.9	Very low	77 Å²	77	120.2 Å²	120.2	79%	0.794	77%	0.766	S	S	*	*			trans	-142.3	127.2	166.9	0	0	0	0	0	111.5
2292	N	22.2	Very low	23.3	Very low	154 Å²	154	119 Å²	119	82%	0.824	76%	0.759	S	S	*	*			trans	-80.1	158.9	-179.6	-64.9	-17.4	0	0	0	112.4
2293	T	26.7	Very low	23.6	Very low	137 Å²	137	122.7 Å²	122.7	84%	0.84	76%	0.759	S	S	*	*			trans	165.3	146.8	147	33.5	0	0	0	0	107.8
2294	S	25	Very low	24.7	Very low	97 Å²	97	123.6 Å²	123.6	68%	0.678	76%	0.757	S	S	*	*			cis	-160.5	172.7	-10.9	-107	0	0	0	0	109.8
2295	T	23.3	Very low	25.3	Very low	133 Å²	133	124.9 Å²	124.9	82%	0.816	76%	0.756	S	S	*	*			trans	74.8	132.1	179.3	74.1	0	0	0	0	116.4
2296	E	22.3	Very low	26.1	Very low	171 Å²	171	123.7 Å²	123.7	80%	0.799	75%	0.754	S	S	*	*			cis	-157.6	163.4	-22.4	-111.4	-131.3	151.7	0	0	110.8
2297	V	23.6	Very low	26.3	Very low	118 Å²	118	125.9 Å²	125.9	72%	0.715	77%	0.77	S	S	*	*			trans	58.2	95.1	164	-178.5	0	0	0	0	117.5
2298	A	22.9	Very low	26.8	Very low	85 Å²	85	123.7 Å²	123.7	70%	0.702	77%	0.771	S	S	*	*				50.3	144.6	116.9	0	0	0	0	0	121.8
2299	S	21.9	Very low	27.4	Very low	119 Å²	119	125.5 Å²	125.5	83%	0.832	77%	0.773	S	S	*	*			cis	-169.5	138	-9.1	-102.9	0	0	0	0	111.7
2300	G	23	Very low	27.7	Very low	79 Å²	79	124.8 Å²	124.8	81%	0.814	78%	0.778	S	S	*	*			trans	77.6	168.4	151.8	0	0	0	0	0	117.7
2301	A	25.7	Very low	28.2	Very low	85 Å²	85	120.7 Å²	120.7	70%	0.702	76%	0.763	S	S	*	*			cis	-157.6	162.4	-5.9	0	0	0	0	0	112
2302	T	29.9	Very low	27.9	Very low	118 Å²	118	124.9 Å²	124.9	72%	0.724	77%	0.767	S	S	*	*			trans	54.7	112.2	153.8	49	0	0	0	0	119.8
2303	E	28.7	Very low	28	Very low	178 Å²	178	121.3 Å²	121.3	83%	0.832	75%	0.752	S	S	*	*				33	144.5	102	-56.4	180	164.6	0	0	118.4
2304	P	44.5	Very low	28	Very low	107 Å²	107	118.7 Å²	118.7	70%	0.695	74%	0.736	S	S	*	*			cis	-151.8	-167.9	34.2	44.9	-23.5	0	0	0	118.4
2305	D	35.6	Very low	27.9	Very low	136 Å²	136	119.7 Å²	119.7	73%	0.727	74%	0.743	S	S	*	*			trans	75.1	105.5	143.9	-64.9	-26	0	0	0	126.5
2306	T	36.4	Very low	28.1	Very low	123 Å²	123	116.8 Å²	116.8	76%	0.755	73%	0.728	S	S	*	*				38.8	132.5	128.6	67.9	0	0	0	0	124.1
2307	S	27.7	Very low	28.1	Very low	123 Å²	123	112.8 Å²	112.8	86%	0.86	72%	0.719	S	S	*	*				175.7	167.6	102.5	52.2	0	0	0	0	113.8
2308	T	32.8	Very low	28	Very low	133 Å²	133	112.9 Å²	112.9	82%	0.816	72%	0.715	S	S	*	*			trans	-107.1	146	178.8	43.3	0	0	0	0	113.2
2309	K	35.2	Very low	28.2	Very low	165 Å²	165	112.1 Å²	112.1	72%	0.717	70%	0.704	S	S	*	*				-165.3	166.6	128.8	-101.6	-174.3	-179	176.4	0	107.2	S2311	K2309-S2311 PolarHBondContact O-OG 3.47Å
2310	S	26.7	Very low	28.8	Very low	118 Å²	118	112.2 Å²	112.2	83%	0.825	70%	0.7	S	S	*	*			cis	58.2	21.4	39.8	-19.7	0	0	0	0	113.4
2311	S	32.8	Very low	28.8	Very low	79 Å²	79	113.2 Å²	113.2	55%	0.552	70%	0.695	S	S	*	*			trans	-124.6	69.7	-165.8	41.2	0	0	0	0	110.7	K2309 P2313	K2309-S2311 PolarHBondContact O-OG 3.47Å; S2311-P2313 CarbonylContact C-O 3.09Å; S2311-P2313 WeakPolarHBondContact CA-O 3.25Å; S2311-P2313 WeakPolarHBondContact CB-O 3.19Å; S2311-P2313 VanDerWaalsContact O-O 3.04Å
2312	N	19.7	Very low	29.5	Very low	164 Å²	164	111.1 Å²	111.1	88%	0.877	68%	0.681	S	S	*	*			trans	-67.9	-41.7	156.1	170.8	49.3	0	0	0	111.3	V2314	N2312-V2314 PolarHBondContact O-N 3.14Å
2313	P	23.3	Very low	29.3	Very low	80 Å²	80	114.2 Å²	114.2	52%	0.519	68%	0.681	S	S	.	*			trans	-58.2	134	146.9	-13.2	28.5	0	0	0	106.8	S2311	S2311-P2313 CarbonylContact C-O 3.09Å; S2311-P2313 WeakPolarHBondContact CA-O 3.25Å; S2311-P2313 WeakPolarHBondContact CB-O 3.19Å; S2311-P2313 VanDerWaalsContact O-O 3.04Å
2314	V	27.1	Very low	29	Very low	82 Å²	82	113.2 Å²	113.2	50%	0.497	68%	0.681	S	S	.	*			cis	-170.8	106.7	32.6	73	0	0	0	0	103.7	N2312 S2316 S2317	N2312-V2314 PolarHBondContact O-N 3.14Å; V2314-S2316 CarbonylContact C-O 2.93Å; V2314-S2316 WeakPolarHBondContact CA-O 3.3Å; V2314-S2316 WeakPolarHBondContact CB-O 3.15Å; V2314-S2316 WeakPolarHBondContact CG1-O 3.2Å; V2314-S2316 WeakPolarHBondContact CG2-O 3.45Å; V2314-S2316 CarbonylContact O-C 2.87Å; V2314-S2316 VanDerWaalsContact O-C 3.25Å; V2314-S2316 VanDerWaalsContact O-O 3.06Å; V2314-S2317 WeakPolarHBondContact CG1-OG 3.31Å; V2314-S2317 PolarHBondContact O-N 2.86Å
2315	S	23.8	Very low	28.1	Very low	117 Å²	117	113.9 Å²	113.9	82%	0.818	68%	0.678	S	S	*	*	S	Bend		67	-115.3	80.8	77.6	0	0	0	0	112.8
2316	S	25.8	Very low	27.4	Very low	72 Å²	72	117.6 Å²	117.6	50%	0.503	68%	0.682	S	S	.	*				-56.3	129.8	127.9	57	0	0	0	0	104.5	V2314	V2314-S2316 CarbonylContact C-O 2.93Å; V2314-S2316 WeakPolarHBondContact CA-O 3.3Å; V2314-S2316 WeakPolarHBondContact CB-O 3.15Å; V2314-S2316 WeakPolarHBondContact CG1-O 3.2Å; V2314-S2316 WeakPolarHBondContact CG2-O 3.45Å; V2314-S2316 CarbonylContact O-C 2.87Å; V2314-S2316 VanDerWaalsContact O-C 3.25Å; V2314-S2316 VanDerWaalsContact O-O 3.06Å
2317	S	22.2	Very low	27.2	Very low	87 Å²	87	115.1 Å²	115.1	61%	0.608	67%	0.667	S	S	*	*				-84.2	131.2	60.1	-61.6	0	0	0	0	112.2	V2314	V2314-S2317 WeakPolarHBondContact CG1-OG 3.31Å; V2314-S2317 PolarHBondContact O-N 2.86Å
2318	L	21.8	Very low	26.9	Very low	120 Å²	120	115.1 Å²	115.1	63%	0.628	66%	0.662	S	S	*	*				-4.6	138.3	119.9	-75.9	112.1	0	0	0	114.7	T2320	L2318-T2320 WeakPolarHBondContact CA-OG1 3.22Å; L2318-T2320 WeakPolarHBondContact CG-OG1 3.39Å
2319	S	28.6	Very low	26.7	Very low	69 Å²	69	118.5 Å²	118.5	48%	0.483	66%	0.66	S	S	.	*			cis	-148.9	128.9	45.7	77.1	0	0	0	0	110.9	S2321 G2322	S2319-S2321 VanDerWaalsContact CA-N 3.27Å; S2319-S2321 WeakPolarHBondContact CB-OG 3.2Å; S2319-S2321 PolarHBondContact O-N 3.39Å; S2319-S2321 VanDerWaalsContact OG-C 3.27Å; S2319-S2321 PolarHBondContact OG-N 3.29Å; S2319-S2321 PolarHBondContact OG-O 3.49Å; S2319-S2321 PolarHBondContact OG-OG 3Å; S2319-G2322 WeakPolarHBondContact O-CA 3.38Å; S2319-G2322 PolarHBondContact O-N 3.25Å
2320	T	32.7	Very low	26.5	Very low	122 Å²	122	116 Å²	116	75%	0.748	66%	0.663	S	S	*	*			cis	44.3	-0.4	38.5	14.8	0	0	0	0	116.1	L2318	L2318-T2320 WeakPolarHBondContact CA-OG1 3.22Å; L2318-T2320 WeakPolarHBondContact CG-OG1 3.39Å
2321	S	24.2	Very low	26.7	Very low	100 Å²	100	114 Å²	114	70%	0.699	65%	0.649	S	S	*	*	S	Bend	trans	-156.1	47.4	157.9	72.9	0	0	0	0	108.5	S2319	S2319-S2321 VanDerWaalsContact CA-N 3.27Å; S2319-S2321 WeakPolarHBondContact CB-OG 3.2Å; S2319-S2321 PolarHBondContact O-N 3.39Å; S2319-S2321 VanDerWaalsContact OG-C 3.27Å; S2319-S2321 PolarHBondContact OG-N 3.29Å; S2319-S2321 PolarHBondContact OG-O 3.49Å; S2319-S2321 PolarHBondContact OG-OG 3Å
2322	G	39.5	Very low	27.5	Very low	41 Å²	41	116 Å²	116	42%	0.423	66%	0.658	S	S	.	*			cis	82.8	141.5	18.9	0	0	0	0	0	112.3	S2319	S2319-G2322 WeakPolarHBondContact O-CA 3.38Å; S2319-G2322 PolarHBondContact O-N 3.25Å
2323	Y	26.9	Very low	27.8	Very low	182 Å²	182	113 Å²	113	71%	0.714	64%	0.641	S	S	*	*			trans	47.8	95.1	-169.5	-71.4	-86.5	0	0	0	113.8	L2325	Y2323-L2325 PolarHBondContact O-N 3.49Å
2324	N	21.6	Very low	27.7	Very low	158 Å²	158	120.8 Å²	120.8	85%	0.845	66%	0.66	S	S	*	*			trans	-62.4	126.5	138.5	-150.3	-32.6	0	0	0	106.9
2325	L	25.3	Very low	28	Very low	120 Å²	120	121.9 Å²	121.9	63%	0.628	67%	0.672	S	S	*	*	S	Bend	trans	-51.4	154	-160	-63.9	86.9	0	0	0	113.5	Y2323	Y2323-L2325 PolarHBondContact O-N 3.49Å
2326	R	21.7	Very low	29.1	Very low	214 Å²	214	118.9 Å²	118.9	81%	0.808	65%	0.654	S	S	*	*			trans	91.6	72.9	169.7	-57.1	122.4	-172.2	-156.7	1.8	115.2
2327	T	32.7	Very low	29.8	Very low	72 Å²	72	122.1 Å²	122.1	44%	0.442	66%	0.661	S	S	.	*				96.8	96.9	68	55	0	0	0	0	113.7	R2329	T2327-R2329 VanDerWaalsContact CB-CB 3.48Å; T2327-R2329 VanDerWaalsContact CB-O 3.22Å; T2327-R2329 WeakPolarHBondContact CB-O 3.42Å; T2327-R2329 HydrophobicContact CG2-CB 3.5Å; T2327-R2329 VanDerWaalsContact CG2-CB 3.5Å; T2327-R2329 PolarHBondContact O-N 3.48Å; T2327-R2329 PolarHBondContact OG1-O 3.26Å
2328	T	19.6	Very low	30.5	Very low	122 Å²	122	119.4 Å²	119.4	75%	0.748	65%	0.647	S	S	*	*	S	Bend	trans	-68.4	75.7	133.8	39.2	0	0	0	0	108.2
2329	R	29.6	Very low	31.2	Very low	204 Å²	204	119.9 Å²	119.9	77%	0.77	66%	0.655	S	S	*	*			trans	173.9	61.1	-168	-107.7	-175.6	-177.3	-162	5	105.6	T2327	T2327-R2329 VanDerWaalsContact CB-CB 3.48Å; T2327-R2329 VanDerWaalsContact CB-O 3.22Å; T2327-R2329 WeakPolarHBondContact CB-O 3.42Å; T2327-R2329 HydrophobicContact CG2-CB 3.5Å; T2327-R2329 VanDerWaalsContact CG2-CB 3.5Å; T2327-R2329 PolarHBondContact O-N 3.48Å; T2327-R2329 PolarHBondContact OG1-O 3.26Å
2330	S	30.7	Very low	31.3	Very low	112 Å²	112	122.4 Å²	122.4	78%	0.783	67%	0.673	S	S	*	*	S	Bend		-114.3	113.4	54.9	-61.6	0	0	0	0	110.9
2331	S	31.3	Very low	31.3	Very low	77 Å²	77	122.1 Å²	122.1	54%	0.538	68%	0.676	S	S	.	*				98.5	149.7	62.4	70.1	0	0	0	0	111	I2333	S2331-I2333 PolarHBondContact O-N 3.27Å
2332	T	48.6	Very low	31.5	Very low	120 Å²	120	122.6 Å²	122.6	74%	0.736	68%	0.679	S	S	*	*				4.6	115.7	120.4	17.9	0	0	0	0	113.5
2333	I	26.2	Very low	30.9	Very low	103 Å²	103	129 Å²	129	53%	0.528	70%	0.697	S	S	.	*			cis	51.9	119.6	39.1	-88.8	179.7	0	0	0	108.5	S2331	S2331-I2333 PolarHBondContact O-N 3.27Å
2334	R	20.7	Very low	30.7	Very low	243 Å²	243	126.1 Å²	126.1	92%	0.917	70%	0.699	S	S	*	*	S	Bend	cis	48	82	20.4	-72.5	-165.1	177.5	-160.7	1.8	112.2
2335	S	34.5	Very low	30.7	Very low	105 Å²	105	123.3 Å²	123.3	73%	0.734	70%	0.698	S	S	*	*			trans	-51.6	167	-172.7	-36.7	0	0	0	0	117.8
2336	A	45.9	Very low	30.7	Very low	54 Å²	54	122.5 Å²	122.5	45%	0.446	71%	0.708	S	S	.	*			trans	92.6	-166.1	158.6	0	0	0	0	0	121.8	T2356 S2357	A2336-T2356 VanDerWaalsContact O-CB 3.3Å; A2336-T2356 WeakPolarHBondContact O-CB 2.97Å; A2336-T2356 VanDerWaalsContact O-CG2 3.31Å; A2336-T2356 WeakPolarHBondContact O-CG2 2.95Å; A2336-S2357 PolarHBondContact O-N 3.19Å; A2336-S2357 VanDerWaalsContact O-N 3.14Å
2337	Q	42.1	Very low	30.8	Very low	139 Å²	139	118.6 Å²	118.6	65%	0.65	71%	0.709	S	S	*	*			trans	-140.8	156.7	-155	-51.4	106.6	-93.3	0	0	119.6	A2355 T2356 S2357	Q2337-A2355 CarbonylContact O-C 2.77Å; Q2337-A2355 WeakPolarHBondContact O-CB 3.47Å; Q2337-T2356 CarbonylContact C-O 2.92Å; Q2337-T2356 PolarHBondContact O-N 3.37Å; Q2337-S2357 WeakPolarHBondContact CA-OG 2.86Å; Q2337-S2357 WeakPolarHBondContact CB-OG 3.14Å; Q2337-S2357 WeakPolarHBondContact CG-OG 3.03Å
2338	G	37.1	Very low	30.3	Very low	30 Å²	30	120 Å²	120	31%	0.309	73%	0.727	S	S	.	*			trans	160.1	119.4	166.9	0	0	0	0	0	123.3	T2356	G2338-T2356 VanDerWaalsContact N-C 3.29Å; G2338-T2356 PolarHBondContact N-O 3.02Å
2339	T	35.9	Very low	30.5	Very low	130 Å²	130	118.5 Å²	118.5	80%	0.798	73%	0.727	S	S	*	*				55.4	137.5	128.6	54.3	0	0	0	0	130.7
2340	S	30.6	Very low	30.4	Very low	123 Å²	123	113.6 Å²	113.6	86%	0.86	73%	0.725	S	S	*	*				99.5	174.9	128.9	75	0	0	0	0	125.6
2341	S	31.9	Very low	30.2	Very low	116 Å²	116	113.7 Å²	113.7	81%	0.811	73%	0.725	S	S	*	*			trans	-146.7	-149.2	-154.7	64.8	0	0	0	0	116
2342	S	29.4	Very low	30.2	Very low	109 Å²	109	118 Å²	118	76%	0.762	74%	0.741	S	S	*	*			trans	87.2	146.7	-171.1	74.5	0	0	0	0	115.9
2343	Q	25.9	Very low	29.2	Very low	175 Å²	175	116.5 Å²	116.5	82%	0.818	74%	0.741	S	S	*	*			cis	88.9	131	32.4	-74.5	-170	1.7	0	0	117.2
2344	T	23.4	Very low	29.3	Very low	122 Å²	122	116.8 Å²	116.8	75%	0.748	75%	0.752	S	S	*	*			trans	29.8	120.2	157.1	55.6	0	0	0	0	123.2
2345	A	21.9	Very low	29.7	Very low	100 Å²	100	107.9 Å²	107.9	83%	0.826	73%	0.73	S	S	*	*			trans	66.4	151.9	130.4	0	0	0	0	0	123.8
2346	A	24.9	Very low	29.3	Very low	102 Å²	102	106.2 Å²	106.2	84%	0.843	72%	0.716	S	S	*	*			trans	75.6	-170.3	157	0	0	0	0	0	119.6
2347	T	24.6	Very low	28.3	Very low	133 Å²	133	106.4 Å²	106.4	82%	0.816	71%	0.714	S	S	*	*			trans	-122.9	149.1	-145.9	51	0	0	0	0	116.1
2348	A	22.3	Very low	27.5	Very low	100 Å²	100	104.1 Å²	104.1	83%	0.826	71%	0.713	S	S	*	*			trans	84.2	132.2	151.4	0	0	0	0	0	121.6
2349	A	24	Very low	27	Very low	91 Å²	91	108 Å²	108	75%	0.752	74%	0.736	S	S	*	*			trans	72.5	131.1	146.7	0	0	0	0	0	123.9
2350	S	27.6	Very low	26.5	Very low	102 Å²	102	106.8 Å²	106.8	71%	0.713	73%	0.733	S	S	*	*			trans	69	119	142.5	50.4	0	0	0	0	124.1
2351	S	25.6	Very low	26.3	Very low	114 Å²	114	105.2 Å²	105.2	80%	0.797	73%	0.727	S	S	*	*			trans	62.2	153.8	143.3	47.3	0	0	0	0	121.4
2352	L	30.4	Very low	26.3	Very low	167 Å²	167	105.2 Å²	105.2	87%	0.874	73%	0.727	S	S	*	*			cis	-168.2	147	-27.3	-164	84.2	0	0	0	109.8
2353	A	29.3	Very low	26.4	Very low	88 Å²	88	104.2 Å²	104.2	73%	0.727	73%	0.725	S	S	*	*			trans	84.2	143	156.9	0	0	0	0	0	123.2
2354	S	27.2	Very low	26.4	Very low	109 Å²	109	101.4 Å²	101.4	76%	0.762	73%	0.725	S	S	*	*			trans	89.1	74.2	153.9	-58	0	0	0	0	123.7
2355	A	28.3	Very low	26.9	Very low	56 Å²	56	105.5 Å²	105.5	46%	0.463	73%	0.733	S	S	.	*			trans	70.9	177.8	138	0	0	0	0	0	121.4	Q2337	Q2337-A2355 CarbonylContact O-C 2.77Å; Q2337-A2355 WeakPolarHBondContact O-CB 3.47Å
2356	T	26.3	Very low	27	Very low	70 Å²	70	110.4 Å²	110.4	43%	0.429	74%	0.735	S	S	.	*			cis	-178.2	-146.1	-44.1	-57.1	0	0	0	0	109.5	A2336 Q2337 G2338	A2336-T2356 VanDerWaalsContact O-CB 3.3Å; A2336-T2356 WeakPolarHBondContact O-CB 2.97Å; A2336-T2356 VanDerWaalsContact O-CG2 3.31Å; A2336-T2356 WeakPolarHBondContact O-CG2 2.95Å; Q2337-T2356 CarbonylContact C-O 2.92Å; Q2337-T2356 PolarHBondContact O-N 3.37Å; G2338-T2356 VanDerWaalsContact N-C 3.29Å; G2338-T2356 PolarHBondContact N-O 3.02Å
2357	S	25.8	Very low	26.9	Very low	59 Å²	59	108.9 Å²	108.9	41%	0.413	73%	0.73	S	S	.	*			trans	38.8	132.5	-177.7	71	0	0	0	0	123.1	A2336 Q2337	A2336-S2357 PolarHBondContact O-N 3.19Å; A2336-S2357 VanDerWaalsContact O-N 3.14Å; Q2337-S2357 WeakPolarHBondContact CA-OG 2.86Å; Q2337-S2357 WeakPolarHBondContact CB-OG 3.14Å; Q2337-S2357 WeakPolarHBondContact CG-OG 3.03Å
2358	S	25.8	Very low	26.8	Very low	90 Å²	90	111.2 Å²	111.2	63%	0.629	73%	0.731	S	S	*	*			cis	-176.3	118.4	-23.8	42.3	0	0	0	0	111.9
2359	S	26	Very low	26.9	Very low	112 Å²	112	111.5 Å²	111.5	78%	0.783	73%	0.728	S	S	*	*			trans	49.9	143.8	141.9	56.6	0	0	0	0	123.1
2360	S	25.5	Very low	26.8	Very low	104 Å²	104	112.9 Å²	112.9	73%	0.727	73%	0.732	S	S	*	*			cis	178	153.7	-6.9	50.7	0	0	0	0	114.4
2361	A	25.8	Very low	26.5	Very low	90 Å²	90	111.9 Å²	111.9	74%	0.744	74%	0.738	S	S	*	*			trans	72.5	148.7	145.7	0	0	0	0	0	121
2362	S	32.5	Very low	26.3	Very low	116 Å²	116	110.1 Å²	110.1	81%	0.811	74%	0.737	S	S	*	*			cis	-168.4	137	-13.7	-98.5	0	0	0	0	115.9
2363	A	31.9	Very low	25.8	Very low	88 Å²	88	111.7 Å²	111.7	73%	0.727	74%	0.737	S	S	*	*			trans	53.4	123	135.5	0	0	0	0	0	126.7
2364	S	26.6	Very low	25.4	Very low	117 Å²	117	113.9 Å²	113.9	82%	0.818	74%	0.737	S	S	*	*			trans	66.2	151.2	133.9	-65.8	0	0	0	0	121.3
2365	K	32.2	Very low	25.2	Very low	208 Å²	208	114.2 Å²	114.2	90%	0.904	74%	0.739	S	S	*	*			cis	-150.9	-171.2	17.4	-141.8	176.6	-177.1	-177.6	0	113.4
2366	K	24.8	Very low	25	Very low	202 Å²	202	114.9 Å²	114.9	88%	0.878	75%	0.752	S	S	*	*			trans	-91.6	155.9	-164.3	-63.7	-175	169.4	-164.4	0	118.6
2367	G	23.6	Very low	24.8	Very low	71 Å²	71	117.5 Å²	117.5	73%	0.732	77%	0.773	S	S	*	*			trans	97.8	161.4	135	0	0	0	0	0	118.7
2368	E	22.7	Very low	24.7	Very low	181 Å²	181	122.1 Å²	122.1	85%	0.846	79%	0.789	S	S	*	*			cis	-174	147.8	-23.5	-137.4	162.9	-146.2	0	0	110.8
2369	S	22.9	Very low	24.7	Very low	107 Å²	107	124 Å²	124	75%	0.748	79%	0.793	S	S	*	*			trans	78.3	123.3	154.9	74.5	0	0	0	0	126.3
2370	S	21.9	Very low	24.5	Very low	120 Å²	120	124 Å²	124	84%	0.839	79%	0.788	S	S	*	*				82.7	134.8	129.5	74.9	0	0	0	0	126.4
2371	G	21	Very low	24.5	Very low	81 Å²	81	129.7 Å²	129.7	84%	0.835	79%	0.793	S	S	*	*				132.2	95.4	119.1	0	0	0	0	0	124.9
2372	G	21.4	Very low	24.3	Very low	77 Å²	77	133.8 Å²	133.8	79%	0.794	80%	0.801	S	S	*	*			trans	75	179.7	149.8	0	0	0	0	0	120.1
2373	K	21.3	Very low	23.9	Very low	199 Å²	199	132.2 Å²	132.2	87%	0.865	80%	0.804	S	S	*	*			cis	-175.2	157.2	-17	-115.7	-179.6	-177.5	176	0	112.9
2374	N	20.2	Very low	23.4	Very low	135 Å²	135	137.4 Å²	137.4	72%	0.722	81%	0.813	S	S	*	*			trans	76.5	110.4	148.4	-79.7	42	0	0	0	126.6
2375	S	23.2	Very low	23.3	Very low	115 Å²	115	136.5 Å²	136.5	80%	0.804	81%	0.813	S	S	*	*				54.9	140.1	119.5	69.5	0	0	0	0	127.3
2376	G	23	Very low	22.7	Very low	71 Å²	71	136.5 Å²	136.5	73%	0.732	81%	0.809	S	S	*	*			trans	168.6	147.6	147.6	0	0	0	0	0	120.6
2377	S	22.9	Very low	22.6	Very low	125 Å²	125	138.3 Å²	138.3	87%	0.874	81%	0.81	S	S	*	*			trans	72.4	171.4	158.5	-58.5	0	0	0	0	122.4
2378	M	23.6	Very low	22.5	Very low	155 Å²	155	140.4 Å²	140.4	76%	0.764	81%	0.808	S	S	*	*				-171.1	146.8	-52.1	-166.9	156.5	179	0	0	114.9
2379	D	26	Very low	22.3	Very low	131 Å²	131	144 Å²	144	70%	0.701	82%	0.815	S	S	*	*			trans	64.1	170.6	160.8	-76.3	-13.2	0	0	0	122.5
2380	V	22.6	Very low	22.4	Very low	112 Å²	112	147.1 Å²	147.1	68%	0.679	82%	0.817	S	S	*	*				-172.7	148.8	-66.4	139.1	0	0	0	0	114
2381	R	24.3	Very low	22.6	Very low	223 Å²	223	147 Å²	147	84%	0.842	81%	0.814	S	S	*	*			trans	80.4	114.7	172.7	-72.8	156.3	-170.9	-177.9	4.3	118.4
2382	L	21.6	Very low	22.8	Very low	175 Å²	175	152.9 Å²	152.9	92%	0.916	81%	0.811	S	S	*	*				70.8	108.1	70.6	-73.1	168.7	0	0	0	116.2
2383	G	24.1	Very low	22.9	Very low	84 Å²	84	159.9 Å²	159.9	87%	0.866	82%	0.816	S	S	*	*			trans	-176.9	109.5	165	0	0	0	0	0	114.8
2384	Q	21.1	Very low	23	Very low	196 Å²	196	154.7 Å²	154.7	92%	0.916	80%	0.803	S	S	*	*			trans	-95.2	137.8	178.5	-66.8	176.6	-24.5	0	0	112.6
2385	A	24.5	Very low	23.1	Very low	99 Å²	99	154 Å²	154	82%	0.818	80%	0.799	S	S	*	*			trans	-148.8	113.4	161.4	0	0	0	0	0	113.9
2386	Y	21	Very low	23.3	Very low	207 Å²	207	159 Å²	159	81%	0.812	81%	0.807	S	S	*	*			trans	-15.6	126.4	169.2	-69.2	-93.4	0	0	0	121.3
2387	R	21.2	Very low	23.4	Very low	241 Å²	241	163.2 Å²	163.2	91%	0.909	81%	0.81	S	S	*	*			trans	26.6	107.2	130.5	-69.7	-178.7	171.8	177.3	-2.5	117.4
2388	V	22	Very low	23.3	Very low	115 Å²	115	161.2 Å²	161.2	70%	0.697	80%	0.8	S	S	*	*			trans	-128.7	123.8	161.4	175.3	0	0	0	0	110.3	H2390	V2388-H2390 HydrophobicContact CG1-CB 3.74Å
2389	W	18	Very low	23.3	Very low	257 Å²	257	162.7 Å²	162.7	97%	0.973	81%	0.805	S	S	*	*			trans	-98.1	117.6	151.7	-107.6	40.7	0	0	0	105.8
2390	H	24.7	Very low	23	Very low	172 Å²	172	161.3 Å²	161.3	80%	0.796	81%	0.806	S	S	*	*			trans	-141.7	121	170.1	-117.4	-77.2	0	0	0	112.8	V2388	V2388-H2390 HydrophobicContact CG1-CB 3.74Å
2391	C	27.7	Very low	23	Very low	116 Å²	116	164.9 Å²	164.9	78%	0.784	81%	0.812	S	S	*	*			trans	-69.7	164.7	156	173.2	0	0	0	0	109.7
2392	R	24.2	Very low	22.9	Very low	205 Å²	205	165 Å²	165	77%	0.774	82%	0.815	S	S	*	*			trans	110.7	45.7	155.9	-151.7	-176.9	-170.6	162.3	2.7	118.2
2393	Y	24.1	Very low	23	Very low	225 Å²	225	162.1 Å²	162.1	88%	0.882	81%	0.809	S	S	*	*			trans	-116.8	125.2	138.8	-73.2	-95.8	0	0	0	106
2394	C	22.6	Very low	22.9	Very low	90 Å²	90	164.4 Å²	164.4	61%	0.608	81%	0.805	S	S	*	*			cis	58.5	106.2	12.3	-72.2	0	0	0	0	114.5
2395	N	23.2	Very low	22.9	Very low	120 Å²	120	163.8 Å²	163.8	64%	0.642	80%	0.8	S	S	*	*			trans	72.3	94.4	167.3	-48.5	-16.4	0	0	0	116.1
2396	F	27.6	Very low	22.7	Very low	219 Å²	219	166.9 Å²	166.9	96%	0.961	80%	0.797	S	S	*	*				-106.6	148.9	105.9	-115.5	-97.9	0	0	0	108.9
2397	M	23.6	Very low	22.9	Very low	161 Å²	161	164.7 Å²	164.7	79%	0.793	79%	0.794	S	S	*	*			trans	-87.9	151.4	-162.4	-77.2	-172.6	169.1	0	0	114
2398	A	21.4	Very low	22.9	Very low	82 Å²	82	157.9 Å²	157.9	68%	0.678	78%	0.783	S	S	*	*			trans	-67.2	147.8	174.9	0	0	0	0	0	112.4
2399	H	24.6	Very low	23	Very low	186 Å²	186	160.9 Å²	160.9	86%	0.861	79%	0.794	S	S	*	*			trans	-133.1	74.4	151.5	-104.6	-80.4	0	0	0	111	K2401	H2399-K2401 PolarHBondContact O-N 3.47Å
2400	S	19.1	Very low	23.3	Very low	103 Å²	103	151.8 Å²	151.8	72%	0.72	78%	0.78	S	S	*	*			trans	-73.3	110.1	164.7	48.1	0	0	0	0	110
2401	K	23	Very low	23.1	Very low	186 Å²	186	152.3 Å²	152.3	81%	0.809	78%	0.782	S	S	*	*			trans	-154.7	97.2	160.7	-119.5	171.1	-173.5	-179.9	0	113.7	H2399	H2399-K2401 PolarHBondContact O-N 3.47Å
2402	Y	21	Very low	23.1	Very low	227 Å²	227	155.2 Å²	155.2	89%	0.89	78%	0.784	S	S	*	*			trans	-1.6	118.5	146.1	-66.6	-96	0	0	0	117.2
2403	S	25	Very low	23.6	Very low	113 Å²	113	151 Å²	151	79%	0.79	78%	0.783	S	S	*	*			trans	-124.5	85.7	153.4	59.1	0	0	0	0	110.2
2404	V	21.5	Very low	23.7	Very low	132 Å²	132	143.8 Å²	143.8	80%	0.8	78%	0.778	S	S	*	*			trans	43.8	122	137.7	179.8	0	0	0	0	119.3
2405	K	19.9	Very low	23.8	Very low	183 Å²	183	148 Å²	148	80%	0.796	79%	0.786	S	S	*	*			trans	-59.7	172.9	167.3	-56.3	172.7	175.9	-179.4	0	113.1
2406	Q	21.5	Very low	23.8	Very low	165 Å²	165	148.3 Å²	148.3	77%	0.771	80%	0.795	S	S	*	*			trans	81.8	147.6	169.5	-49.8	171.4	-85.9	0	0	113.4
2407	H	24.2	Very low	23.5	Very low	160 Å²	160	143 Å²	143	74%	0.741	78%	0.779	S	S	*	*			cis	-130.3	173.6	13.5	-130.2	-81.2	0	0	0	113.6
2408	C	21.7	Very low	23.4	Very low	99 Å²	99	143.5 Å²	143.5	67%	0.669	78%	0.78	S	S	*	*			trans	-54.3	154	-173.5	-42.6	0	0	0	0	116.9
2409	L	24.9	Very low	23.4	Very low	178 Å²	178	145.5 Å²	145.5	93%	0.932	78%	0.784	S	S	*	*				178.8	150.2	105.5	-91.7	166.4	0	0	0	112.8
2410	G	23.3	Very low	23.3	Very low	66 Å²	66	142.2 Å²	142.2	68%	0.68	77%	0.772	S	S	*	*			trans	65.8	87.5	146.2	0	0	0	0	0	122.3
2411	E	21.7	Very low	23.5	Very low	182 Å²	182	141.5 Å²	141.5	85%	0.85	76%	0.76	S	S	*	*			trans	58.5	155.1	132.5	-70.3	161.8	-171.2	0	0	123.6
2412	H	26	Very low	23.5	Very low	177 Å²	177	138.1 Å²	138.1	82%	0.819	76%	0.755	S	S	*	*			trans	62.9	161	178.9	-65.8	-80.5	0	0	0	118.7
2413	P	35.7	Very low	23.7	Very low	116 Å²	116	133.5 Å²	133.5	75%	0.753	75%	0.745	S	S	*	*			cis	-124.2	164.3	-18.7	32.4	-15.6	0	0	0	114.3
2414	G	26.8	Very low	23.6	Very low	75 Å²	75	139 Å²	139	77%	0.773	75%	0.749	S	S	*	*			trans	-145	77.1	-176.6	0	0	0	0	0	116.8
2415	K	24.2	Very low	24	Very low	177 Å²	177	139.9 Å²	139.9	77%	0.77	75%	0.749	S	S	*	*			trans	20.8	115.7	152.7	-56.4	-179.9	-177.7	-177.2	0	120.6
2416	P	23.8	Very low	24.2	Very low	128 Å²	128	134.8 Å²	134.8	83%	0.831	74%	0.736	S	S	*	*			trans	-92	-176.3	144.7	37.1	-32	0	0	0	112.1
2417	V	19.8	Very low	24.5	Very low	106 Å²	106	135.3 Å²	135.3	64%	0.642	74%	0.735	S	S	*	*			trans	-145.9	110.8	172.5	174.7	0	0	0	0	111.1	V2419	V2417-V2419 HydrophobicContact CG1-CG2 4.48Å
2418	E	22.6	Very low	24.8	Very low	172 Å²	172	140.3 Å²	140.3	80%	0.804	76%	0.755	S	S	*	*			trans	-164.3	141.3	157.5	-105.3	145.8	-167.9	0	0	105.3
2419	V	21.7	Very low	24.9	Very low	125 Å²	125	142.4 Å²	142.4	76%	0.758	76%	0.759	S	S	*	*			cis	81.3	57.2	8.7	-157.7	0	0	0	0	116.3	V2417	V2417-V2419 HydrophobicContact CG1-CG2 4.48Å
2420	L	22.8	Very low	24.9	Very low	117 Å²	117	140.5 Å²	140.5	61%	0.613	75%	0.75	S	S	*	*			trans	-135.4	148.5	134.8	-71.9	171.4	0	0	0	105.9	E2026	E2026-L2420 HydrophobicContact CG-CD1 4.3Å
2421	N	23.5	Very low	25	Very low	87 Å²	87	144.6 Å²	144.6	47%	0.465	75%	0.754	S	S	.	*			cis	-142.2	164.6	-16.6	-122.4	-12.9	0	0	0	104.7	D2025	D2025-N2421 HydrophobicContact CB-CB 3.32Å; D2025-N2421 WeakPolarHBondContact OD2-CB 3Å
2422	V	21.9	Very low	25.2	Very low	115 Å²	115	142.4 Å²	142.4	70%	0.697	75%	0.748	S	S	*	*			cis	59.6	55	48.6	-152	0	0	0	0	115.6
2423	N	24.8	Very low	25.2	Very low	130 Å²	130	140.3 Å²	140.3	70%	0.695	74%	0.744	S	S	*	*				-158.6	143.9	116.3	-90.6	-37.2	0	0	0	109.7
2424	R	23.8	Very low	24.5	Very low	229 Å²	229	141.9 Å²	141.9	86%	0.864	74%	0.743	S	S	*	*			cis	58.2	99.2	46.8	-89.7	-172.3	167.9	-172.7	-3.6	113.9
2425	D	30.5	Very low	24.3	Very low	151 Å²	151	146.6 Å²	146.6	81%	0.807	74%	0.741	S	S	*	*				-150.6	154.3	104	-137.5	-25	0	0	0	115.6
2426	C	23.3	Very low	24.3	Very low	76 Å²	76	144.3 Å²	144.3	51%	0.514	74%	0.739	S	S	.	*			trans	55.3	105.8	153.6	-81.9	0	0	0	0	123.2
2427	K	27.2	Very low	24.4	Very low	175 Å²	175	145.7 Å²	145.7	76%	0.761	73%	0.731	S	S	*	*				84.4	71.3	123.1	-63.4	163.6	-177	155.9	0	119.6
2428	K	30.6	Very low	24.8	Very low	265 Å²	265	149.3 Å²	149.3	100%	1.152	74%	0.739	S	S	*	*				-149	0	116	-112.7	162.8	-171.7	163.3	0	111.5

Retrieved 2,428 of 2,428 residues in 880.5 ms (Link to these results)

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