A0A3Q0KMX3_SCHMA Loading...

Protein Jade-1

AlphaFold DB , UniProt , Accession A0A3Q0KMX3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 813 aa.

						>A0A3Q0KMX3_SCHMA|A0A3Q0KMX3
MGSCDEVRRILRHWEPSFPDCDESAPAEVFDRHPLSAMMISADSECGRKDNLVLILNSWKSEWYREGVQVPVKDASNQPRPVYKKLDVSCPKRRCPRFIMPEKLRVESTDGNFNETTHMLVKKRKNAPYYNVDDLDYSWIATVNEERECLGQVLVEDWMLEKVISALEYLTYVKMREKIKEIDVQSLEFDENARCDICLSFEGEDGNELVFCDGCFLCVHQACYGILQIPEGSWMCRQCEAGVKSTTPCSLCPNTGGAMKLSDDGQRWCHVSCALWVPEVGFGDVEMMEPIIKLDNIPQARRNLLCSICRSRYGAPVQCSSVKCKTAFHVTCAFQSNLVMRQELVDKDVRLIGLCWKHSRKEQQSATHHSSASCDSNSFRSPNSPIKVHDANQNFGSGMQPVALTRKQRLLELECNFHNLVQESHLNIWLDNDSMKMHLGNSAFLNEGEHRHVPNDIRAAIFVYWRLKRRANFNQPLVNPAPLTWKESADQVAATTKEELARVERANSDMKAFESFKRIRFGLDRARLMADMVLQRERRKLALFKRMWRISEIQLSALEKQNSLISSELLRTAHIGESVYDNWELFLAYNNPSRQRVDQGKNMSHISESNNESKSSPVYTVNENNSSFSQTSMPNATIKVNESIDSFNISAIPKECLIVSDTIKQRLRSALTLVAENCNMWRADKHVESPNHKRKTNNHYIKSHKSLSLNRFERSPSRSHCSSPLTSSTKINKPSENDMPIVQVKLSPISDKASFNCVKNVNSSNNNECTPTRKRKHLNSSNSVFEQSPPSHSIPVLTKLAMITLSPGAAKFL
					

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(Predicted Aligned Error values between residue pairs)

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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	42.3	Very low	54	Low	243 Å²	243	114.5 Å²	114.5	100%	1.197	62%	0.615	S	S	*	*				0	69.1	0	-61.4	-159.6	-144.1	0	0	109.5	S3	M1-S3 PolarHBondContact O-N 3.42Å
2	G	45.2	Very low	53.9	Low	79 Å²	79	120.6 Å²	120.6	81%	0.814	62%	0.622	S	S	*	*			trans	-69.5	99	170.2	0	0	0	0	0	107.4
3	S	47.7	Very low	53.9	Low	63 Å²	63	122.8 Å²	122.8	44%	0.441	63%	0.628	S	S	.	*			trans	-56.4	137.7	-166.2	57	0	0	0	0	111.5	M1 D5 E6	M1-S3 PolarHBondContact O-N 3.42Å; S3-D5 PolarHBondContact O-N 3.24Å; S3-E6 PolarHBondContact O-N 3.45Å
4	C	51.4	Low	52.8	Low	86 Å²	86	129.1 Å²	129.1	58%	0.581	64%	0.64	S	S	*	*	H	α-helix	trans	-46.9	-15.9	168.2	-71.8	0	0	0	0	114.3	E6 R8	C4-E6 VanDerWaalsContact C-N 3.32Å; C4-E6 PolarHBondContact O-N 2.91Å; C4-R8 WeakPolarHBondContact O-CG 3.47Å; C4-R8 PolarHBondContact O-N 3.19Å; C4-R8 VanDerWaalsContact O-N 3.1Å
5	D	59.8	Low	51.9	Low	86 Å²	86	130.4 Å²	130.4	46%	0.46	64%	0.644	S	S	.	*	H	α-helix	trans	-67.9	-27	177.1	-62.1	-29.3	0	0	0	113.8	S3 R8 R9	S3-D5 PolarHBondContact O-N 3.24Å; D5-R8 IonicContact OD1-NH1 3.34Å; D5-R8 PolarHBondContact OD1-NH1 3.38Å; D5-R9 WeakPolarHBondContact O-CB 3.29Å; D5-R9 PolarHBondContact O-N 2.98Å
6	E	58.1	Low	51.1	Low	116 Å²	116	127.9 Å²	127.9	54%	0.542	64%	0.64	S	S	.	*	H	α-helix	trans	-73	-41.7	177	-164.4	163.4	-157.1	0	0	111.4	S3 C4 R9 I10	S3-E6 PolarHBondContact O-N 3.45Å; C4-E6 VanDerWaalsContact C-N 3.32Å; C4-E6 PolarHBondContact O-N 2.91Å; E6-R9 PolarHBondContact O-N 3.2Å; E6-I10 WeakPolarHBondContact O-CG1 3.45Å; E6-I10 PolarHBondContact O-N 3.06Å
7	V	57.4	Low	50.4	Low	94 Å²	94	127.1 Å²	127.1	57%	0.57	65%	0.65	S	S	*	*	H	α-helix	trans	-64.4	-42	174.5	-179.5	0	0	0	0	111.1	R9 I10 L11	V7-R9 VanDerWaalsContact C-N 3.33Å; V7-R9 PolarHBondContact O-N 2.8Å; V7-I10 PolarHBondContact O-N 2.83Å; V7-L11 HydrophobicContact CG1-CD1 4.04Å; V7-L11 WeakPolarHBondContact O-CG 3.38Å; V7-L11 PolarHBondContact O-N 3.26Å
8	R	61.1	Low	49.9	Very low	141 Å²	141	129.7 Å²	129.7	53%	0.532	66%	0.656	S	S	.	*	H	α-helix	trans	-64.5	-36.2	174.9	-73.7	-176.8	-168	121.7	-1.1	112.5	C4 D5 L11 R12	C4-R8 WeakPolarHBondContact O-CG 3.47Å; C4-R8 PolarHBondContact O-N 3.19Å; C4-R8 VanDerWaalsContact O-N 3.1Å; D5-R8 IonicContact OD1-NH1 3.34Å; D5-R8 PolarHBondContact OD1-NH1 3.38Å; R8-L11 PolarHBondContact O-N 2.87Å; R8-R12 WeakPolarHBondContact O-CG 3.17Å; R8-R12 PolarHBondContact O-N 3.33Å
9	R	60.2	Low	49.5	Very low	141 Å²	141	129.3 Å²	129.3	53%	0.532	66%	0.663	S	S	.	*	H	α-helix	trans	-67.8	-41.5	178.3	-160.3	-174.9	-57.8	111.3	-0.1	111.2	D5 E6 V7 R12 H13	D5-R9 WeakPolarHBondContact O-CB 3.29Å; D5-R9 PolarHBondContact O-N 2.98Å; E6-R9 PolarHBondContact O-N 3.2Å; V7-R9 VanDerWaalsContact C-N 3.33Å; V7-R9 PolarHBondContact O-N 2.8Å; R9-R12 PolarHBondContact O-N 3.03Å; R9-H13 PolarHBondContact O-N 2.64Å; R9-H13 PolarHBondContact O-ND1 3.46Å
10	I	57.2	Low	49.1	Very low	100 Å²	100	130.7 Å²	130.7	51%	0.513	67%	0.672	S	S	.	*	H	α-helix	trans	-62.7	-44.8	175.4	-66.4	167.8	0	0	0	110.5	E6 V7 R12 H13 W14	E6-I10 WeakPolarHBondContact O-CG1 3.45Å; E6-I10 PolarHBondContact O-N 3.06Å; V7-I10 PolarHBondContact O-N 2.83Å; I10-R12 PolarHBondContact O-N 3.02Å; I10-H13 PolarHBondContact O-N 3.01Å; I10-W14 PolarHBondContact O-N 2.68Å
11	L	53.7	Low	48.7	Very low	111 Å²	111	129.6 Å²	129.6	58%	0.581	68%	0.675	S	S	*	*	H	α-helix	trans	-64.2	-36.9	179.3	-74.7	167.2	0	0	0	113	V7 R8 H13 W14	V7-L11 HydrophobicContact CG1-CD1 4.04Å; V7-L11 WeakPolarHBondContact O-CG 3.38Å; V7-L11 PolarHBondContact O-N 3.26Å; R8-L11 PolarHBondContact O-N 2.87Å; L11-H13 VanDerWaalsContact C-N 3.34Å; L11-H13 PolarHBondContact O-N 3.39Å; L11-W14 PolarHBondContact O-N 3.24Å; L11-W14 VanDerWaalsContact O-N 3.16Å
12	R	53.3	Low	48.7	Very low	187 Å²	187	125.3 Å²	125.3	71%	0.706	66%	0.657	S	S	*	*	H	α-helix	trans	-70.3	-27	175	-70.9	-161	-148.1	-170.8	6.2	113.9	R8 R9 I10 W14 E15	R8-R12 WeakPolarHBondContact O-CG 3.17Å; R8-R12 PolarHBondContact O-N 3.33Å; R9-R12 PolarHBondContact O-N 3.03Å; I10-R12 PolarHBondContact O-N 3.02Å; R12-W14 PolarHBondContact O-N 3.27Å; R12-E15 PolarHBondContact O-N 2.88Å
13	H	53.9	Low	48.7	Very low	149 Å²	149	130.6 Å²	130.6	69%	0.69	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-9.6	173.3	-76.8	78.6	0	0	0	112.6	R9 I10 L11	R9-H13 PolarHBondContact O-N 2.64Å; R9-H13 PolarHBondContact O-ND1 3.46Å; I10-H13 PolarHBondContact O-N 3.01Å; L11-H13 VanDerWaalsContact C-N 3.34Å; L11-H13 PolarHBondContact O-N 3.39Å
14	W	37.5	Very low	48.7	Very low	211 Å²	211	132.3 Å²	132.3	80%	0.799	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	1.4	178.7	-80.7	37.4	0	0	0	113.1	I10 L11 R12 P16	I10-W14 PolarHBondContact O-N 2.68Å; L11-W14 PolarHBondContact O-N 3.24Å; L11-W14 VanDerWaalsContact O-N 3.16Å; R12-W14 PolarHBondContact O-N 3.27Å; W14-P16 WeakPolarHBondContact O-CD 3.32Å
15	E	39.4	Very low	48.7	Very low	149 Å²	149	132.1 Å²	132.1	70%	0.696	68%	0.676	S	S	*	*	S	Bend	trans	-74.2	110.8	167.8	-84.6	-179.9	159.3	0	0	108.6	R12 S17	R12-E15 PolarHBondContact O-N 2.88Å; E15-S17 PolarHBondContact O-N 3.4Å; E15-S17 VanDerWaalsContact O-N 3.14Å
16	P	39.7	Very low	48.6	Very low	91 Å²	91	130.8 Å²	130.8	59%	0.591	67%	0.672	S	S	*	*			trans	-65.8	117.9	175.1	-8.3	25.8	0	0	0	106.7	W14 F18	W14-P16 WeakPolarHBondContact O-CD 3.32Å; P16-F18 VanDerWaalsContact C-N 3.34Å; P16-F18 VanDerWaalsContact O-CD2 3.29Å; P16-F18 WeakPolarHBondContact O-CD2 3.29Å; P16-F18 PolarHBondContact O-N 3.28Å
17	S	38.9	Very low	48.7	Very low	114 Å²	114	129.1 Å²	129.1	80%	0.797	68%	0.679	S	S	*	*			trans	-62.7	99.8	165	47.3	0	0	0	0	107.4	E15 P19	E15-S17 PolarHBondContact O-N 3.4Å; E15-S17 VanDerWaalsContact O-N 3.14Å; S17-P19 VanDerWaalsContact O-CD 3.27Å; S17-P19 WeakPolarHBondContact O-CD 3.32Å
18	F	42.2	Very low	49.3	Very low	173 Å²	173	130.8 Å²	130.8	76%	0.759	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-65.8	116.5	169.7	-68.2	-82.4	0	0	0	107.3	P16 D20	P16-F18 VanDerWaalsContact C-N 3.34Å; P16-F18 VanDerWaalsContact O-CD2 3.29Å; P16-F18 WeakPolarHBondContact O-CD2 3.29Å; P16-F18 PolarHBondContact O-N 3.28Å; F18-D20 PolarHBondContact O-N 3.46Å
19	P	41.1	Very low	49.9	Very low	122 Å²	122	127.8 Å²	127.8	79%	0.792	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-59.8	129.9	171.7	-16.4	29.8	0	0	0	108.4	S17 C21	S17-P19 VanDerWaalsContact O-CD 3.27Å; S17-P19 WeakPolarHBondContact O-CD 3.32Å; P19-C21 PolarHBondContact O-N 2.82Å
20	D	41.8	Very low	50.9	Low	158 Å²	158	125.9 Å²	125.9	85%	0.845	67%	0.673	S	S	*	*	S	Bend	trans	-53.1	120.3	171.7	-74.8	-54.8	0	0	0	110.1	F18 D22	F18-D20 PolarHBondContact O-N 3.46Å; D20-D22 PolarHBondContact O-N 3.34Å
21	C	40.3	Very low	51.9	Low	108 Å²	108	124.1 Å²	124.1	73%	0.73	67%	0.665	S	S	*	*			trans	54.1	62.3	142.7	-134.3	0	0	0	0	117	P19	P19-C21 PolarHBondContact O-N 2.82Å
22	D	42.4	Very low	53	Low	153 Å²	153	125.3 Å²	125.3	82%	0.818	66%	0.662	S	S	*	*			trans	-91.2	109.4	145.2	-82.7	-33.1	0	0	0	107.3	D20 S24	D20-D22 PolarHBondContact O-N 3.34Å; D22-S24 PolarHBondContact O-N 2.88Å
23	E	45.9	Very low	54.1	Low	190 Å²	190	123.3 Å²	123.3	89%	0.888	66%	0.66	S	S	*	*			trans	-63.4	34	166.7	-66.7	-166.7	144	0	0	112.2	A25	E23-A25 PolarHBondContact O-N 3.2Å
24	S	48	Very low	55.1	Low	98 Å²	98	118.9 Å²	118.9	69%	0.685	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-66.8	123.5	170.6	-174.2	0	0	0	0	107.9	D22	D22-S24 PolarHBondContact O-N 2.88Å
25	A	50.9	Low	56.8	Low	82 Å²	82	109.5 Å²	109.5	68%	0.678	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-49.7	129.7	173.6	0	0	0	0	0	108.6	E23 A27	E23-A25 PolarHBondContact O-N 3.2Å; A25-A27 PolarHBondContact O-N 3.35Å
26	P	57.1	Low	58.3	Low	58 Å²	58	106.1 Å²	106.1	38%	0.377	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-54.2	133.3	-177.8	24.1	-34.8	0	0	0	108.8	E28 V72 K73	P26-E28 PolarHBondContact O-N 2.7Å; P26-E28 VanDerWaalsContact O-N 3.12Å; P26-V72 HydrophobicContact CB-CB 4.49Å; P26-K73 HydrophobicContact CG-CD 4.43Å
27	A	61.7	Low	59.7	Low	82 Å²	82	105 Å²	105	68%	0.678	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-48.9	122.8	178.7	0	0	0	0	0	109.7	A25 V29	A25-A27 PolarHBondContact O-N 3.35Å; A27-V29 PolarHBondContact O-N 3.47Å; A27-V29 VanDerWaalsContact O-N 3.14Å
28	E	69.2	Low	61.2	Low	129 Å²	129	104.7 Å²	104.7	60%	0.603	59%	0.588	S	S	*	*			trans	-71.2	108.7	178.5	-59.6	-169.9	151.4	0	0	108.6	P26 F30 Q69	P26-E28 PolarHBondContact O-N 2.7Å; P26-E28 VanDerWaalsContact O-N 3.12Å; E28-F30 HydrophobicContact CB-CD2 4.44Å; E28-F30 HydrophobicContact CB-CE2 3.79Å; E28-Q69 VanDerWaalsContact CD-NE2 3.27Å; E28-Q69 PolarHBondContact OE1-NE2 2.95Å
29	V	74.7	Confident	62.4	Low	77 Å²	77	102 Å²	102	47%	0.467	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.5	123	177.6	-178.9	0	0	0	0	108.3	A27 Q69 V70 V72	A27-V29 PolarHBondContact O-N 3.47Å; A27-V29 VanDerWaalsContact O-N 3.14Å; V29-Q69 CarbonylContact O-C 3.58Å; V29-Q69 WeakPolarHBondContact O-CA 3.29Å; V29-V70 PolarHBondContact O-N 3.23Å; V29-V72 HydrophobicContact CG2-CG2 4.3Å
30	F	79.7	Confident	63.4	Low	101 Å²	101	100.7 Å²	100.7	44%	0.443	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.3	131.2	172.2	-68.8	-98.8	0	0	0	110.1	E28 E66 V68 Q69	E28-F30 HydrophobicContact CB-CD2 4.44Å; E28-F30 HydrophobicContact CB-CE2 3.79Å; F30-E66 VanDerWaalsContact CB-O 3.28Å; F30-E66 WeakPolarHBondContact CB-O 3.24Å; F30-V68 WeakPolarHBondContact CA-O 3.33Å; F30-Q69 HydrophobicContact CD1-CB 4.13Å; F30-Q69 HydrophobicContact CE1-CB 3.81Å; F30-Q69 HydrophobicContact CE1-CG 4.46Å; F30-Q69 HydrophobicContact CZ-CB 4.16Å; F30-Q69 HydrophobicContact CZ-CG 4.34Å
31	D	78.7	Confident	64	Low	63 Å²	63	97.3 Å²	97.3	34%	0.337	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.7	133.6	178.3	-169.9	0.6	0	0	0	111	H33 G67 V68 V70	D31-H33 WeakPolarHBondContact OD1-CB 3.44Å; D31-H33 PolarHBondContact OD1-N 3.47Å; D31-G67 WeakPolarHBondContact O-CA 3.29Å; D31-V68 PolarHBondContact N-O 3.07Å; D31-V68 WeakPolarHBondContact O-CG2 3.48Å; D31-V68 PolarHBondContact O-N 2.8Å; D31-V70 HydrophobicContact CB-CG2 3.52Å
32	R	77.1	Confident	64.6	Low	137 Å²	137	97 Å²	97	52%	0.517	56%	0.559	S	S	.	*	S	Bend	trans	-93.1	-21.3	176.6	-64.7	-177.5	-167.3	146.1	4.9	112.5	P34 L35 S36 R65	R32-P34 VanDerWaalsContact C-CD 3.47Å; R32-L35 PolarHBondContact O-N 3.02Å; R32-S36 PolarHBondContact O-N 3.46Å; R32-S36 PolarHBondContact O-OG 2.99Å; R32-R65 PolarHBondContact NE-O 3.01Å; R32-R65 PolarHBondContact NH2-O 3.17Å
33	H	77	Confident	65	Low	144 Å²	144	97.2 Å²	97.2	67%	0.667	56%	0.56	S	S	*	*	H	α-helix	trans	-56	-42.7	-174.1	-125.4	88.5	0	0	0	114	D31 L35 S36 A37	D31-H33 WeakPolarHBondContact OD1-CB 3.44Å; D31-H33 PolarHBondContact OD1-N 3.47Å; H33-L35 VanDerWaalsContact C-N 3.31Å; H33-L35 PolarHBondContact O-N 2.79Å; H33-S36 PolarHBondContact O-N 3.17Å; H33-A37 WeakPolarHBondContact O-CB 2.85Å; H33-A37 PolarHBondContact O-N 2.81Å
34	P	73.9	Confident	65.4	Low	57 Å²	57	89.8 Å²	89.8	37%	0.37	53%	0.529	S	S	.	.	H	α-helix	trans	-60.3	-40.1	179.8	-25.1	34.4	0	0	0	112.7	R32 A37 M38	R32-P34 VanDerWaalsContact C-CD 3.47Å; P34-A37 PolarHBondContact O-N 3.23Å; P34-M38 VanDerWaalsContact O-CG 3.26Å; P34-M38 WeakPolarHBondContact O-CG 2.95Å; P34-M38 PolarHBondContact O-N 3.25Å
35	L	73.1	Confident	65.6	Low	13 Å²	13	92.9 Å²	92.9	7%	0.068	53%	0.533	C	S	.	.	H	α-helix	trans	-69	-42.8	179.2	-58.6	169.8	0	0	0	110.8	R32 H33 A37 M38 M39 W59 W63 V68	R32-L35 PolarHBondContact O-N 3.02Å; H33-L35 VanDerWaalsContact C-N 3.31Å; H33-L35 PolarHBondContact O-N 2.79Å; L35-A37 VanDerWaalsContact C-N 3.31Å; L35-A37 PolarHBondContact O-N 3.44Å; L35-M38 PolarHBondContact O-N 2.93Å; L35-M39 WeakPolarHBondContact O-CG 3.22Å; L35-M39 PolarHBondContact O-N 3.26Å; L35-W59 HydrophobicContact CD2-CH2 3.34Å; L35-W59 HydrophobicContact CD2-CZ2 3.65Å; L35-W59 HydrophobicContact CD2-CZ3 4.22Å; L35-W59 HydrophobicContact CG-CH2 4.47Å; L35-W59 HydrophobicContact CG-CZ2 4.49Å; L35-W63 HydrophobicContact CD1-CB 3.83Å; L35-W63 WeakPolarHBondContact CD1-O 3.42Å; L35-V68 HydrophobicContact CD1-CG1 4.24Å; L35-V68 HydrophobicContact CD1-CG2 4.04Å; L35-V68 HydrophobicContact CD2-CG1 4.27Å; L35-V68 HydrophobicContact CD2-CG2 4.22Å; L35-V68 HydrophobicContact CG-CG2 3.9Å
36	S	71.3	Confident	65.7	Low	78 Å²	78	92.3 Å²	92.3	55%	0.545	52%	0.523	S	S	.	.	H	α-helix	trans	-61.6	-38.9	174.5	-62.3	0	0	0	0	112.2	R32 H33 M38 M39	R32-S36 PolarHBondContact O-N 3.46Å; R32-S36 PolarHBondContact O-OG 2.99Å; H33-S36 PolarHBondContact O-N 3.17Å; S36-M38 VanDerWaalsContact C-N 3.32Å; S36-M38 PolarHBondContact O-N 3.35Å; S36-M39 PolarHBondContact O-N 3.5Å
37	A	69.9	Low	65.3	Low	67 Å²	67	91.3 Å²	91.3	55%	0.554	52%	0.523	S	S	*	.	H	α-helix	trans	-69.1	-29.4	176.9	0	0	0	0	0	113	H33 P34 L35 I40	H33-A37 WeakPolarHBondContact O-CB 2.85Å; H33-A37 PolarHBondContact O-N 2.81Å; P34-A37 PolarHBondContact O-N 3.23Å; L35-A37 VanDerWaalsContact C-N 3.31Å; L35-A37 PolarHBondContact O-N 3.44Å; A37-I40 WeakPolarHBondContact O-CG1 3.41Å
38	M	68.6	Low	64.8	Low	109 Å²	109	97.4 Å²	97.4	54%	0.537	53%	0.528	S	S	.	.	H	α-helix	trans	-78.8	-25.3	174.7	-70.6	172.5	65.9	0	0	113	P34 L35 S36 I40 I55	P34-M38 VanDerWaalsContact O-CG 3.26Å; P34-M38 WeakPolarHBondContact O-CG 2.95Å; P34-M38 PolarHBondContact O-N 3.25Å; L35-M38 PolarHBondContact O-N 2.93Å; S36-M38 VanDerWaalsContact C-N 3.32Å; S36-M38 PolarHBondContact O-N 3.35Å; M38-I40 VanDerWaalsContact C-N 3.33Å; M38-I40 PolarHBondContact O-N 3.28Å; M38-I55 HydrophobicContact CE-CD1 3.3Å
39	M	68.9	Low	63.9	Low	115 Å²	115	98 Å²	98	57%	0.567	53%	0.529	S	S	*	.			trans	-81.4	77.4	174.4	-68.4	-135	-61.2	0	0	110.8	L35 S36 Y64	L35-M39 WeakPolarHBondContact O-CG 3.22Å; L35-M39 PolarHBondContact O-N 3.26Å; S36-M39 PolarHBondContact O-N 3.5Å; M39-Y64 HydrophobicContact CE-CD1 4.44Å; M39-Y64 HydrophobicContact CE-CE1 3.85Å; M39-Y64 HydrophobicContact SD-CE1 3.68Å
40	I	61.6	Low	62.9	Low	95 Å²	95	98.9 Å²	98.9	49%	0.487	53%	0.531	S	S	.	.			trans	-94.8	129.5	169	-30.5	-179.6	0	0	0	108	A37 M38 S44 C46	A37-I40 WeakPolarHBondContact O-CG1 3.41Å; M38-I40 VanDerWaalsContact C-N 3.33Å; M38-I40 PolarHBondContact O-N 3.28Å; I40-S44 VanDerWaalsContact CG2-CB 3.4Å; I40-S44 WeakPolarHBondContact CG2-OG 3.32Å; I40-C46 HydrophobicContact CD1-CB 4.08Å
41	S	54.8	Low	61.9	Low	88 Å²	88	99.8 Å²	99.8	62%	0.615	54%	0.541	S	S	*	.			trans	-51.3	145.3	179.4	-59.3	0	0	0	0	111.3	D43 S44	S41-D43 PolarHBondContact O-N 3.19Å; S41-S44 WeakPolarHBondContact O-CB 3.25Å; S41-S44 PolarHBondContact O-N 3.33Å; S41-S44 PolarHBondContact O-OG 2.81Å
42	A	51.9	Low	61.2	Low	101 Å²	101	100.7 Å²	100.7	84%	0.835	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-24.3	176.8	0	0	0	0	0	113.1
43	D	50.4	Low	60.7	Low	158 Å²	158	97.4 Å²	97.4	85%	0.845	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-11	178.6	-60.1	-30.1	0	0	0	114	S41 E45	S41-D43 PolarHBondContact O-N 3.19Å; D43-E45 PolarHBondContact O-N 2.94Å
44	S	55.8	Low	60.3	Low	34 Å²	34	94.3 Å²	94.3	24%	0.238	53%	0.528	C	S	.	.	S	Bend	trans	-70.8	131.9	174.6	66.8	0	0	0	0	109.9	I40 S41 C46 G47	I40-S44 VanDerWaalsContact CG2-CB 3.4Å; I40-S44 WeakPolarHBondContact CG2-OG 3.32Å; S41-S44 WeakPolarHBondContact O-CB 3.25Å; S41-S44 PolarHBondContact O-N 3.33Å; S41-S44 PolarHBondContact O-OG 2.81Å; S44-C46 PolarHBondContact O-N 3.09Å; S44-G47 PolarHBondContact O-N 2.93Å
45	E	51.8	Low	60.1	Low	162 Å²	162	95.2 Å²	95.2	76%	0.757	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-57.5	-17.1	-179.1	-63.7	-169.3	153.2	0	0	113.5	D43 G47 R48	D43-E45 PolarHBondContact O-N 2.94Å; E45-G47 PolarHBondContact O-N 3.09Å; E45-R48 PolarHBondContact O-N 2.85Å
46	C	51.6	Low	59.9	Low	71 Å²	71	99 Å²	99	48%	0.48	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-61	-31	174.2	-159.7	0	0	0	0	112.6	I40 S44 R48	I40-C46 HydrophobicContact CD1-CB 4.08Å; S44-C46 PolarHBondContact O-N 3.09Å; C46-R48 PolarHBondContact O-N 3.39Å
47	G	49.5	Very low	59.9	Low	36 Å²	36	99.1 Å²	99.1	37%	0.371	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-69.5	-8.6	-178.1	0	0	0	0	0	115.6	S44 E45	S44-G47 PolarHBondContact O-N 2.93Å; E45-G47 PolarHBondContact O-N 3.09Å
48	R	51.8	Low	60	Low	210 Å²	210	101 Å²	101	79%	0.792	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-91.4	2.6	-177.6	-75.8	-173.4	-175.9	140.7	3.7	115.3	E45 C46	E45-R48 PolarHBondContact O-N 2.85Å; C46-R48 PolarHBondContact O-N 3.39Å
49	K	50	Low	60.2	Low	142 Å²	142	100.3 Å²	100.3	62%	0.617	54%	0.544	S	S	*	.	S	Bend	trans	-89.5	142.3	-173.6	-68.6	-177.1	179	174.9	0	112.2	N51 L52	K49-N51 PolarHBondContact O-N 3.43Å; K49-L52 PolarHBondContact O-N 2.82Å
50	D	54.3	Low	60.5	Low	96 Å²	96	99.7 Å²	99.7	51%	0.513	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	16.6	178.9	-58.8	-36.4	0	0	0	115.4
51	N	57.3	Low	61.1	Low	120 Å²	120	99.8 Å²	99.8	64%	0.642	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	21.9	-176.9	-66.7	-22.7	0	0	0	112.3	K49 V53	K49-N51 PolarHBondContact O-N 3.43Å; N51-V53 PolarHBondContact O-N 3.16Å
52	L	64.5	Low	62.2	Low	81 Å²	81	100.3 Å²	100.3	42%	0.424	54%	0.539	S	S	.	.			trans	-66.8	126.5	173.2	-66.4	175.2	0	0	0	110.2	K49 L86	K49-L52 PolarHBondContact O-N 2.82Å; L52-L86 PolarHBondContact O-N 2.93Å
53	V	65.9	Low	63.5	Low	69 Å²	69	98.6 Å²	98.6	42%	0.418	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.8	179.6	173	0	0	0	0	108	N51 I55 Y83	N51-V53 PolarHBondContact O-N 3.16Å; V53-I55 PolarHBondContact O-N 2.84Å; V53-Y83 HydrophobicContact CB-CD2 4.45Å; V53-Y83 VanDerWaalsContact CG1-CB 3.42Å; V53-Y83 HydrophobicContact CG1-CD2 3.21Å; V53-Y83 HydrophobicContact CG1-CE2 4.07Å; V53-Y83 HydrophobicContact CG1-CG 3.49Å; V53-Y83 VanDerWaalsContact CG1-CG 3.49Å; V53-Y83 HydrophobicContact CG2-CD2 4.43Å
54	L	70.6	Confident	64.4	Low	78 Å²	78	96.4 Å²	96.4	41%	0.408	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	114.9	173.1	-174.7	68.9	0	0	0	109	L56 Y83 K84 L86	L54-L56 HydrophobicContact CD2-CD2 3.72Å; L54-L56 HydrophobicContact CG-CD2 4.12Å; L54-L56 PolarHBondContact O-N 2.69Å; L54-Y83 CarbonylContact O-C 3.53Å; L54-Y83 WeakPolarHBondContact O-CA 3.46Å; L54-K84 WeakPolarHBondContact CA-O 3.33Å; L54-K84 HydrophobicContact CB-CB 4.44Å; L54-K84 VanDerWaalsContact CB-O 3.3Å; L54-K84 WeakPolarHBondContact CB-O 3.49Å; L54-K84 PolarHBondContact N-O 2.9Å; L54-K84 PolarHBondContact O-N 2.86Å; L54-L86 HydrophobicContact CB-CD1 3.83Å; L54-L86 HydrophobicContact CB-CG 4.19Å; L54-L86 HydrophobicContact CD1-CD1 4.4Å
55	I	69.3	Low	65.3	Low	77 Å²	77	104 Å²	104	40%	0.395	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	117.3	170.8	-60.7	172.4	0	0	0	107	M38 V53 N57	M38-I55 HydrophobicContact CE-CD1 3.3Å; V53-I55 PolarHBondContact O-N 2.84Å; I55-N57 VanDerWaalsContact C-N 3.34Å; I55-N57 HydrophobicContact CG2-CB 4.08Å
56	L	69.4	Low	66.5	Low	91 Å²	91	101.7 Å²	101.7	48%	0.476	51%	0.505	S	S	.	.			trans	-85	-11.8	-175.6	-67.6	178.7	0	0	0	113	L54 S58 V82 K84	L54-L56 HydrophobicContact CD2-CD2 3.72Å; L54-L56 HydrophobicContact CG-CD2 4.12Å; L54-L56 PolarHBondContact O-N 2.69Å; L56-S58 PolarHBondContact O-N 2.79Å; L56-V82 HydrophobicContact CB-CG1 4.33Å; L56-V82 HydrophobicContact CD1-CG1 4.16Å; L56-V82 PolarHBondContact N-O 3.06Å; L56-K84 HydrophobicContact CD1-CB 3.96Å; L56-K84 HydrophobicContact CD2-CB 4.2Å; L56-K84 HydrophobicContact CG-CB 4.09Å
57	N	71	Confident	67.8	Low	82 Å²	82	98.4 Å²	98.4	44%	0.439	48%	0.483	S	S	.	.	S	Bend	trans	-64.8	133.4	178.9	-64.4	12.1	0	0	0	109.5	I55 W59 V82	I55-N57 VanDerWaalsContact C-N 3.34Å; I55-N57 HydrophobicContact CG2-CB 4.08Å; N57-W59 PolarHBondContact O-N 3.19Å; N57-V82 PolarHBondContact OD1-O 3.21Å
58	S	71.9	Confident	69.2	Low	105 Å²	105	98.5 Å²	98.5	73%	0.734	48%	0.476	S	S	*	.			trans	-57.6	113.3	172.8	-61.6	0	0	0	0	109.6	L56 K60	L56-S58 PolarHBondContact O-N 2.79Å; S58-K60 PolarHBondContact O-N 2.96Å
59	W	71.1	Confident	70.3	Confident	95 Å²	95	93.4 Å²	93.4	36%	0.36	46%	0.462	S	S	.	.			trans	-67.4	125.3	178.5	-167.5	-81.1	0	0	0	109.8	L35 N57 W63 Y64	L35-W59 HydrophobicContact CD2-CH2 3.34Å; L35-W59 HydrophobicContact CD2-CZ2 3.65Å; L35-W59 HydrophobicContact CD2-CZ3 4.22Å; L35-W59 HydrophobicContact CG-CH2 4.47Å; L35-W59 HydrophobicContact CG-CZ2 4.49Å; N57-W59 PolarHBondContact O-N 3.19Å; W59-W63 HydrophobicContact CD2-CE3 4.12Å; W59-W63 HydrophobicContact CD2-CZ3 4.34Å; W59-W63 HydrophobicContact CE3-CE3 4.38Å; W59-W63 HydrophobicContact CE3-CZ3 4.29Å; W59-W63 HydrophobicContact CG-CE3 4.44Å; W59-Y64 AromaticContact CD1-CE2 3.62Å; W59-Y64 AromaticContact CE2-CE2 3.79Å; W59-Y64 AromaticContact CE2-CZ 3.51Å; W59-Y64 AromaticContact CZ2-CE1 3.74Å; W59-Y64 HydrophobicContact CZ2-CE1 3.74Å; W59-Y64 HydrophobicContact CZ2-CE2 4.25Å; W59-Y64 AromaticContact CZ2-CZ 3.57Å; W59-Y64 WeakPolarHBondContact CZ2-OH 3.48Å; W59-Y64 AromaticContact NE1-CD2 3.59Å; W59-Y64 AromaticContact NE1-CE1 3.98Å; W59-Y64 AromaticContact NE1-CE2 2.89Å; W59-Y64 AromaticContact NE1-CZ 3.12Å; W59-Y64 PolarHBondContact NE1-OH 2.74Å
60	K	76.5	Confident	71.4	Confident	103 Å²	103	89.6 Å²	89.6	45%	0.448	45%	0.45	S	S	.	.			trans	-96	130.1	176.4	-56.6	-167	-177.4	-179.3	0	110.2	S58 E62 W63	S58-K60 PolarHBondContact O-N 2.96Å; K60-E62 HydrophobicContact CB-CG 3.78Å; K60-E62 HydrophobicContact CD-CG 4.32Å; K60-E62 WeakPolarHBondContact CD-OE1 3.28Å; K60-E62 IonicContact NZ-OE1 3.37Å; K60-E62 PolarHBondContact NZ-OE1 3.29Å; K60-E62 PolarHBondContact O-N 3.02Å; K60-W63 HydrophobicContact CB-CD2 4.02Å; K60-W63 HydrophobicContact CB-CG 4.24Å; K60-W63 HydrophobicContact CB-CZ2 4.27Å; K60-W63 HydrophobicContact CD-CZ2 4.2Å; K60-W63 HydrophobicContact CG-CH2 4.48Å; K60-W63 HydrophobicContact CG-CZ2 3.94Å; K60-W63 WeakPolarHBondContact O-CB 3.33Å; K60-W63 PolarHBondContact O-N 3.47Å; K60-W63 VanDerWaalsContact O-N 3.14Å
61	S	74.4	Confident	72	Confident	96 Å²	96	88.3 Å²	88.3	67%	0.671	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.5	178.7	47.6	0	0	0	0	113	W63 Y64	S61-W63 PolarHBondContact O-N 2.78Å; S61-Y64 PolarHBondContact O-N 3.19Å
62	E	77.4	Confident	72.4	Confident	99 Å²	99	87.4 Å²	87.4	46%	0.463	45%	0.446	S	S	.	.	H	α-helix	trans	-61	-28.2	175.9	64.2	-142	-152.2	0	0	113.4	K60 Y64 R65 E66	K60-E62 HydrophobicContact CB-CG 3.78Å; K60-E62 HydrophobicContact CD-CG 4.32Å; K60-E62 WeakPolarHBondContact CD-OE1 3.28Å; K60-E62 IonicContact NZ-OE1 3.37Å; K60-E62 PolarHBondContact NZ-OE1 3.29Å; K60-E62 PolarHBondContact O-N 3.02Å; E62-Y64 VanDerWaalsContact C-N 3.25Å; E62-Y64 PolarHBondContact O-N 3.35Å; E62-R65 CarbonylContact O-C 3.6Å; E62-R65 PolarHBondContact O-N 3.45Å; E62-E66 PolarHBondContact O-N 3.41Å
63	W	78.5	Confident	72.4	Confident	66 Å²	66	90.9 Å²	90.9	25%	0.25	46%	0.457	C	S	.	.	H	α-helix	trans	-65.5	-27.9	179.8	-61.8	-16.9	0	0	0	113.3	L35 W59 K60 S61 R65 G67 V68	L35-W63 HydrophobicContact CD1-CB 3.83Å; L35-W63 WeakPolarHBondContact CD1-O 3.42Å; W59-W63 HydrophobicContact CD2-CE3 4.12Å; W59-W63 HydrophobicContact CD2-CZ3 4.34Å; W59-W63 HydrophobicContact CE3-CE3 4.38Å; W59-W63 HydrophobicContact CE3-CZ3 4.29Å; W59-W63 HydrophobicContact CG-CE3 4.44Å; K60-W63 HydrophobicContact CB-CD2 4.02Å; K60-W63 HydrophobicContact CB-CG 4.24Å; K60-W63 HydrophobicContact CB-CZ2 4.27Å; K60-W63 HydrophobicContact CD-CZ2 4.2Å; K60-W63 HydrophobicContact CG-CH2 4.48Å; K60-W63 HydrophobicContact CG-CZ2 3.94Å; K60-W63 WeakPolarHBondContact O-CB 3.33Å; K60-W63 PolarHBondContact O-N 3.47Å; K60-W63 VanDerWaalsContact O-N 3.14Å; S61-W63 PolarHBondContact O-N 2.78Å; W63-R65 VanDerWaalsContact C-N 3.33Å; W63-G67 CarbonylContact O-C 3.42Å; W63-G67 WeakPolarHBondContact O-CA 3.45Å; W63-G67 PolarHBondContact O-N 3.12Å; W63-V68 HydrophobicContact CB-CG1 4.33Å; W63-V68 HydrophobicContact CD2-CG1 4.2Å; W63-V68 HydrophobicContact CG-CG1 4.11Å
64	Y	70.2	Confident	72.1	Confident	112 Å²	112	94.2 Å²	94.2	44%	0.439	47%	0.473	S	S	.	.	H	α-helix	trans	-69.1	-35.5	172.4	-67.5	-66.7	0	0	0	112.1	M39 W59 S61 E62	M39-Y64 HydrophobicContact CE-CD1 4.44Å; M39-Y64 HydrophobicContact CE-CE1 3.85Å; M39-Y64 HydrophobicContact SD-CE1 3.68Å; W59-Y64 AromaticContact CD1-CE2 3.62Å; W59-Y64 AromaticContact CE2-CE2 3.79Å; W59-Y64 AromaticContact CE2-CZ 3.51Å; W59-Y64 AromaticContact CZ2-CE1 3.74Å; W59-Y64 HydrophobicContact CZ2-CE1 3.74Å; W59-Y64 HydrophobicContact CZ2-CE2 4.25Å; W59-Y64 AromaticContact CZ2-CZ 3.57Å; W59-Y64 WeakPolarHBondContact CZ2-OH 3.48Å; W59-Y64 AromaticContact NE1-CD2 3.59Å; W59-Y64 AromaticContact NE1-CE1 3.98Å; W59-Y64 AromaticContact NE1-CE2 2.89Å; W59-Y64 AromaticContact NE1-CZ 3.12Å; W59-Y64 PolarHBondContact NE1-OH 2.74Å; S61-Y64 PolarHBondContact O-N 3.19Å; E62-Y64 VanDerWaalsContact C-N 3.25Å; E62-Y64 PolarHBondContact O-N 3.35Å
65	R	74.3	Confident	71.6	Confident	192 Å²	192	93.8 Å²	93.8	73%	0.725	48%	0.481	S	S	*	.	H	α-helix	trans	-87.8	-38.9	-174.2	-157.8	-174.3	-78.8	-132.8	3.2	111.6	R32 E62 W63	R32-R65 PolarHBondContact NE-O 3.01Å; R32-R65 PolarHBondContact NH2-O 3.17Å; E62-R65 CarbonylContact O-C 3.6Å; E62-R65 PolarHBondContact O-N 3.45Å; W63-R65 VanDerWaalsContact C-N 3.33Å
66	E	77.6	Confident	71.3	Confident	114 Å²	114	95.4 Å²	95.4	53%	0.533	50%	0.499	S	S	.	.	H	α-helix	trans	-101.7	-19.5	-177	-55.2	-50.3	137.1	0	0	113.1	F30 E62	F30-E66 VanDerWaalsContact CB-O 3.28Å; F30-E66 WeakPolarHBondContact CB-O 3.24Å; E62-E66 PolarHBondContact O-N 3.41Å
67	G	78.3	Confident	70.9	Confident	2 Å²	2	98.7 Å²	98.7	2%	0.021	52%	0.517	C	S	.	.			trans	88	178.2	-169.1	0	0	0	0	0	112.2	D31 W63	D31-G67 WeakPolarHBondContact O-CA 3.29Å; W63-G67 CarbonylContact O-C 3.42Å; W63-G67 WeakPolarHBondContact O-CA 3.45Å; W63-G67 PolarHBondContact O-N 3.12Å
68	V	77.9	Confident	70.7	Confident	39 Å²	39	99 Å²	99	24%	0.236	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.9	172.7	-91.9	0	0	0	0	109.6	F30 D31 L35 W63 V70	F30-V68 WeakPolarHBondContact CA-O 3.33Å; D31-V68 PolarHBondContact N-O 3.07Å; D31-V68 WeakPolarHBondContact O-CG2 3.48Å; D31-V68 PolarHBondContact O-N 2.8Å; L35-V68 HydrophobicContact CD1-CG1 4.24Å; L35-V68 HydrophobicContact CD1-CG2 4.04Å; L35-V68 HydrophobicContact CD2-CG1 4.27Å; L35-V68 HydrophobicContact CD2-CG2 4.22Å; L35-V68 HydrophobicContact CG-CG2 3.9Å; W63-V68 HydrophobicContact CB-CG1 4.33Å; W63-V68 HydrophobicContact CD2-CG1 4.2Å; W63-V68 HydrophobicContact CG-CG1 4.11Å; V68-V70 PolarHBondContact O-N 3.34Å
69	Q	75.9	Confident	70.5	Confident	103 Å²	103	99.7 Å²	99.7	48%	0.481	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	121.8	178.2	-169.1	177.4	9.6	0	0	109.8	E28 V29 F30 P71	E28-Q69 VanDerWaalsContact CD-NE2 3.27Å; E28-Q69 PolarHBondContact OE1-NE2 2.95Å; V29-Q69 CarbonylContact O-C 3.58Å; V29-Q69 WeakPolarHBondContact O-CA 3.29Å; F30-Q69 HydrophobicContact CD1-CB 4.13Å; F30-Q69 HydrophobicContact CE1-CB 3.81Å; F30-Q69 HydrophobicContact CE1-CG 4.46Å; F30-Q69 HydrophobicContact CZ-CB 4.16Å; F30-Q69 HydrophobicContact CZ-CG 4.34Å; Q69-P71 WeakPolarHBondContact O-CD 3.42Å
70	V	72.7	Confident	70.3	Confident	61 Å²	61	106.2 Å²	106.2	37%	0.37	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	114.4	174.7	-176.6	0	0	0	0	107.8	V29 D31 V68 V72	V29-V70 PolarHBondContact O-N 3.23Å; D31-V70 HydrophobicContact CB-CG2 3.52Å; V68-V70 PolarHBondContact O-N 3.34Å; V70-V72 PolarHBondContact O-N 3.39Å
71	P	66.9	Low	69.9	Low	70 Å²	70	106.2 Å²	106.2	46%	0.455	55%	0.553	S	S	.	*			trans	-67.4	128.2	-177.7	-22.6	36.9	0	0	0	111	Q69 Q78	Q69-P71 WeakPolarHBondContact O-CD 3.42Å; P71-Q78 HydrophobicContact CB-CG 4.36Å; P71-Q78 HydrophobicContact CG-CG 4.18Å
72	V	66.1	Low	69.8	Low	101 Å²	101	105.7 Å²	105.7	61%	0.612	55%	0.545	S	S	*	.			trans	-87.1	-24.1	178.1	-172.7	0	0	0	0	111.8	P26 V29 V70	P26-V72 HydrophobicContact CB-CB 4.49Å; V29-V72 HydrophobicContact CG2-CG2 4.3Å; V70-V72 PolarHBondContact O-N 3.39Å
73	K	64.6	Low	69.8	Low	153 Å²	153	107.9 Å²	107.9	67%	0.665	55%	0.55	S	S	*	*	S	Bend	trans	-92.2	158.4	178.5	-69.5	-177.2	173	177.3	0	111.7	P26 A75	P26-K73 HydrophobicContact CG-CD 4.43Å; K73-A75 PolarHBondContact O-N 2.87Å
74	D	60.4	Low	69.4	Low	140 Å²	140	111.1 Å²	111.1	75%	0.749	57%	0.566	S	S	*	*			trans	-46.3	134.6	-177.8	-70.6	-42.4	0	0	0	113.2	S76	D74-S76 PolarHBondContact O-N 3.33Å
75	A	58.7	Low	69.2	Low	69 Å²	69	111.9 Å²	111.9	57%	0.57	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-60.4	-10.9	-172.9	0	0	0	0	0	114.9	K73 N77 Q78	K73-A75 PolarHBondContact O-N 2.87Å; A75-N77 PolarHBondContact O-N 2.82Å; A75-Q78 WeakPolarHBondContact O-CB 3.47Å; A75-Q78 PolarHBondContact O-N 2.9Å; A75-Q78 VanDerWaalsContact O-N 3.07Å
76	S	62.4	Low	68.5	Low	111 Å²	111	106.7 Å²	106.7	78%	0.776	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-57.1	-31.1	-178.5	-52.6	0	0	0	0	113.8	D74	D74-S76 PolarHBondContact O-N 3.33Å
77	N	62.7	Low	67.4	Low	160 Å²	160	108.3 Å²	108.3	86%	0.856	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-94.4	4.9	-180	-74.6	3.2	0	0	0	113.9	A75	A75-N77 PolarHBondContact O-N 2.82Å
78	Q	65.8	Low	66.1	Low	87 Å²	87	112.2 Å²	112.2	41%	0.407	59%	0.593	S	S	.	*	S	Bend	trans	-81.6	139.5	-179.2	-64.6	174.9	16.1	0	0	111.3	P71 A75 R80	P71-Q78 HydrophobicContact CB-CG 4.36Å; P71-Q78 HydrophobicContact CG-CG 4.18Å; A75-Q78 WeakPolarHBondContact O-CB 3.47Å; A75-Q78 PolarHBondContact O-N 2.9Å; A75-Q78 VanDerWaalsContact O-N 3.07Å; Q78-R80 PolarHBondContact O-N 3.16Å
79	P	67.4	Low	64.5	Low	121 Å²	121	115.2 Å²	115.2	79%	0.786	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-61.1	136.1	174.3	24.2	-31.2	0	0	0	110.4
80	R	67.8	Low	62.8	Low	231 Å²	231	112.8 Å²	112.8	87%	0.872	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-61	133.2	176.1	-94.9	-174.5	179	-167.6	0.5	110.2	Q78 V82	Q78-R80 PolarHBondContact O-N 3.16Å; R80-V82 PolarHBondContact O-N 3.42Å
81	P	67.8	Low	61.3	Low	103 Å²	103	115.1 Å²	115.1	67%	0.669	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-65	133.5	177.9	25.2	-32.7	0	0	0	110.9
82	V	72.9	Confident	60.2	Low	86 Å²	86	121.6 Å²	121.6	52%	0.521	65%	0.647	S	S	.	*			trans	-98.8	115.4	176.5	-177	0	0	0	0	109	L56 N57 R80	L56-V82 HydrophobicContact CB-CG1 4.33Å; L56-V82 HydrophobicContact CD1-CG1 4.16Å; L56-V82 PolarHBondContact N-O 3.06Å; N57-V82 PolarHBondContact OD1-O 3.21Å; R80-V82 PolarHBondContact O-N 3.42Å
83	Y	77.7	Confident	59	Low	144 Å²	144	126.7 Å²	126.7	57%	0.565	66%	0.656	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-143.3	155.4	178.9	68.4	-97.1	0	0	0	111.5	V53 L54	V53-Y83 HydrophobicContact CB-CD2 4.45Å; V53-Y83 VanDerWaalsContact CG1-CB 3.42Å; V53-Y83 HydrophobicContact CG1-CD2 3.21Å; V53-Y83 HydrophobicContact CG1-CE2 4.07Å; V53-Y83 HydrophobicContact CG1-CG 3.49Å; V53-Y83 VanDerWaalsContact CG1-CG 3.49Å; V53-Y83 HydrophobicContact CG2-CD2 4.43Å; L54-Y83 CarbonylContact O-C 3.53Å; L54-Y83 WeakPolarHBondContact O-CA 3.46Å
84	K	70.3	Confident	58	Low	134 Å²	134	130.8 Å²	130.8	58%	0.583	67%	0.667	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.9	120.9	174.6	-175.7	175.4	-178.1	179.6	0	108.8	L54 L56 L86	L54-K84 WeakPolarHBondContact CA-O 3.33Å; L54-K84 HydrophobicContact CB-CB 4.44Å; L54-K84 VanDerWaalsContact CB-O 3.3Å; L54-K84 WeakPolarHBondContact CB-O 3.49Å; L54-K84 PolarHBondContact N-O 2.9Å; L54-K84 PolarHBondContact O-N 2.86Å; L56-K84 HydrophobicContact CD1-CB 3.96Å; L56-K84 HydrophobicContact CD2-CB 4.2Å; L56-K84 HydrophobicContact CG-CB 4.09Å; K84-L86 PolarHBondContact O-N 3.41Å
85	K	65.5	Low	57.1	Low	129 Å²	129	126.9 Å²	126.9	56%	0.561	65%	0.65	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.4	125.6	172.7	-160.5	175.3	-177.5	-175.8	0	108.3	D87	K85-D87 PolarHBondContact O-N 3.36Å
86	L	59	Low	56.4	Low	83 Å²	83	129.4 Å²	129.4	44%	0.435	66%	0.661	S	S	.	*			trans	-79.4	113.7	173.9	-91.1	151.1	0	0	0	107.4	L52 L54 K84 V88	L52-L86 PolarHBondContact O-N 2.93Å; L54-L86 HydrophobicContact CB-CD1 3.83Å; L54-L86 HydrophobicContact CB-CG 4.19Å; L54-L86 HydrophobicContact CD1-CD1 4.4Å; K84-L86 PolarHBondContact O-N 3.41Å; L86-V88 HydrophobicContact CB-CG2 4.18Å; L86-V88 PolarHBondContact O-N 3.39Å
87	D	54.5	Low	55.7	Low	147 Å²	147	134.4 Å²	134.4	79%	0.786	66%	0.662	S	S	*	*			trans	-71.2	82.6	158.3	-102.1	-21.7	0	0	0	106.5	K85 S89	K85-D87 PolarHBondContact O-N 3.36Å; D87-S89 PolarHBondContact O-N 3.5Å
88	V	51.4	Low	55.1	Low	84 Å²	84	135.4 Å²	135.4	51%	0.509	66%	0.66	S	S	.	*			trans	-66.3	90.5	159.6	-172.4	0	0	0	0	104	L86 C90	L86-V88 HydrophobicContact CB-CG2 4.18Å; L86-V88 PolarHBondContact O-N 3.39Å; V88-C90 PolarHBondContact O-N 2.82Å
89	S	44.6	Very low	54.7	Low	102 Å²	102	136.9 Å²	136.9	71%	0.713	67%	0.669	S	S	*	*			trans	-63.6	78.4	166.8	-65.8	0	0	0	0	105.7	D87 P91	D87-S89 PolarHBondContact O-N 3.5Å; S89-P91 VanDerWaalsContact O-CD 3.25Å; S89-P91 WeakPolarHBondContact O-CD 3.34Å
90	C	39.4	Very low	54.3	Low	53 Å²	53	132.5 Å²	132.5	36%	0.358	64%	0.638	S	S	.	*			trans	-56.3	117.1	171.9	-175.4	0	0	0	0	104.4	V88 K92	V88-C90 PolarHBondContact O-N 2.82Å; C90-K92 PolarHBondContact O-N 2.91Å
91	P	41.8	Very low	53.9	Low	110 Å²	110	124 Å²	124	71%	0.714	61%	0.613	S	S	*	*			trans	-68.1	83.4	-172.4	25.5	-32.7	0	0	0	108.5	S89 R93	S89-P91 VanDerWaalsContact O-CD 3.25Å; S89-P91 WeakPolarHBondContact O-CD 3.34Å; P91-R93 PolarHBondContact O-N 2.77Å
92	K	43.1	Very low	53.7	Low	205 Å²	205	126 Å²	126	89%	0.891	61%	0.613	S	S	*	*	S	Bend	trans	34.2	23.3	176	-64.5	-174.7	-179.3	177.3	0	117.1	C90 R94	C90-K92 PolarHBondContact O-N 2.91Å; K92-R94 PolarHBondContact O-N 2.99Å
93	R	41.9	Very low	53.4	Low	208 Å²	208	130.2 Å²	130.2	79%	0.785	63%	0.625	S	S	*	*			trans	-78.5	88	163.5	-72.4	-169.6	178	-168.2	-0	104	P91 C95	P91-R93 PolarHBondContact O-N 2.77Å; R93-C95 PolarHBondContact O-N 2.79Å
94	R	43.2	Very low	53	Low	239 Å²	239	125.9 Å²	125.9	90%	0.902	61%	0.611	S	S	*	*			trans	-30.8	104	175.7	-66.4	174.3	178.2	169.5	-0.3	108.1	K92 P96	K92-R94 PolarHBondContact O-N 2.99Å; R94-P96 VanDerWaalsContact O-N 3.14Å
95	C	40.5	Very low	52.7	Low	58 Å²	58	123.1 Å²	123.1	39%	0.392	60%	0.597	S	S	.	*			trans	-50.1	127.7	171	-69.8	0	0	0	0	105.5	R93 R97	R93-C95 PolarHBondContact O-N 2.79Å; C95-R97 PolarHBondContact O-N 3.49Å
96	P	45.4	Very low	52.6	Low	122 Å²	122	118.5 Å²	118.5	79%	0.792	58%	0.58	S	S	*	*			trans	-64.9	96.9	178.9	23.8	-27.9	0	0	0	105.5	R94 F98	R94-P96 VanDerWaalsContact O-N 3.14Å; P96-F98 PolarHBondContact O-N 3.37Å
97	R	47.9	Very low	52.7	Low	216 Å²	216	122.2 Å²	122.2	82%	0.815	60%	0.595	S	S	*	*			trans	-41.8	130.7	156.3	-92.8	-177.6	175.4	157.5	-0.6	104.2	C95 I99	C95-R97 PolarHBondContact O-N 3.49Å; R97-I99 WeakPolarHBondContact O-CG1 3.47Å; R97-I99 PolarHBondContact O-N 2.83Å
98	F	50.1	Low	52.9	Low	182 Å²	182	117.5 Å²	117.5	80%	0.798	57%	0.574	S	S	*	*			trans	-54.2	99.7	170.9	176.5	-98.3	0	0	0	107.3	P96 M100	P96-F98 PolarHBondContact O-N 3.37Å; F98-M100 HydrophobicContact CE1-CB 4.31Å; F98-M100 PolarHBondContact O-N 3.44Å
99	I	56.1	Low	53.6	Low	118 Å²	118	118.1 Å²	118.1	61%	0.605	58%	0.578	S	S	*	*			trans	-84	100.8	176.4	-74.8	164.4	0	0	0	101.7	R97	R97-I99 WeakPolarHBondContact O-CG1 3.47Å; R97-I99 PolarHBondContact O-N 2.83Å
100	M	59.3	Low	54.7	Low	28 Å²	28	118.2 Å²	118.2	14%	0.138	57%	0.57	C	S	.	*			trans	-46	133.4	171	-168.5	-176.8	70	0	0	108.7	F98 E102 L104 R105 M119	F98-M100 HydrophobicContact CE1-CB 4.31Å; F98-M100 PolarHBondContact O-N 3.44Å; M100-E102 PolarHBondContact O-N 2.84Å; M100-L104 HydrophobicContact CE-CB 3.81Å; M100-L104 WeakPolarHBondContact CE-O 3.38Å; M100-L104 HydrophobicContact CG-CB 3.97Å; M100-L104 HydrophobicContact CG-CD1 4.23Å; M100-L104 HydrophobicContact SD-CB 3.9Å; M100-R105 HydrophobicContact CE-CB 4.17Å; M100-R105 HydrophobicContact CE-CG 3.42Å; M100-R105 VanDerWaalsContact CE-CG 3.42Å; M100-R105 PolarHBondContact O-NH1 3.37Å; M100-R105 PolarHBondContact O-NH2 2.98Å; M100-M119 HydrophobicContact CE-CB 3.65Å; M100-M119 HydrophobicContact CE-CG 3.92Å; M100-M119 HydrophobicContact SD-CB 4.13Å; M100-M119 HydrophobicContact SD-CG 3.7Å
101	P	60.5	Low	56	Low	54 Å²	54	119.8 Å²	119.8	35%	0.351	60%	0.595	S	S	.	*			trans	-52.3	139.9	-177.4	-27.9	33.2	0	0	0	112	K103 L104	P101-K103 HydrophobicContact CB-CD 4.49Å; P101-K103 HydrophobicContact CB-CG 3.81Å; P101-K103 PolarHBondContact O-N 3.42Å; P101-K103 VanDerWaalsContact O-N 3.08Å; P101-L104 HydrophobicContact CG-CD1 4.37Å; P101-L104 PolarHBondContact O-N 3.13Å
102	E	62.9	Low	57.3	Low	143 Å²	143	121.7 Å²	121.7	67%	0.668	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-49.8	-39.4	-178.9	-157.2	70.6	-167.1	0	0	111.8	M100 L104 R105	M100-E102 PolarHBondContact O-N 2.84Å; E102-L104 PolarHBondContact O-N 3.43Å; E102-L104 VanDerWaalsContact O-N 3.11Å; E102-R105 WeakPolarHBondContact O-CB 3.24Å; E102-R105 PolarHBondContact O-N 3.15Å; E102-R105 IonicContact OE2-CZ 3.37Å; E102-R105 IonicContact OE2-NH1 3.22Å; E102-R105 PolarHBondContact OE2-NH1 3.48Å
103	K	67.2	Low	58.5	Low	175 Å²	175	114.5 Å²	114.5	76%	0.761	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-60.6	-17.4	177.5	63.3	178	-178.4	178.2	0	115.9	P101	P101-K103 HydrophobicContact CB-CD 4.49Å; P101-K103 HydrophobicContact CB-CG 3.81Å; P101-K103 PolarHBondContact O-N 3.42Å; P101-K103 VanDerWaalsContact O-N 3.08Å
104	L	68.9	Low	59.8	Low	54 Å²	54	108.3 Å²	108.3	28%	0.283	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-101.7	-5.8	177.4	-59.9	-177.9	0	0	0	112.1	M100 P101 E102 H118 M119	M100-L104 HydrophobicContact CE-CB 3.81Å; M100-L104 WeakPolarHBondContact CE-O 3.38Å; M100-L104 HydrophobicContact CG-CB 3.97Å; M100-L104 HydrophobicContact CG-CD1 4.23Å; M100-L104 HydrophobicContact SD-CB 3.9Å; P101-L104 HydrophobicContact CG-CD1 4.37Å; P101-L104 PolarHBondContact O-N 3.13Å; E102-L104 PolarHBondContact O-N 3.43Å; E102-L104 VanDerWaalsContact O-N 3.11Å; L104-H118 VanDerWaalsContact O-CA 3.28Å; L104-H118 WeakPolarHBondContact O-CA 3.42Å; L104-M119 PolarHBondContact O-N 3.4Å
105	R	64.4	Low	61.2	Low	76 Å²	76	105 Å²	105	29%	0.287	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	118.5	172.2	-63.2	179.6	172	113.1	12.8	107.1	M100 E102 V121	M100-R105 HydrophobicContact CE-CB 4.17Å; M100-R105 HydrophobicContact CE-CG 3.42Å; M100-R105 VanDerWaalsContact CE-CG 3.42Å; M100-R105 PolarHBondContact O-NH1 3.37Å; M100-R105 PolarHBondContact O-NH2 2.98Å; E102-R105 WeakPolarHBondContact O-CB 3.24Å; E102-R105 PolarHBondContact O-N 3.15Å; E102-R105 IonicContact OE2-CZ 3.37Å; E102-R105 IonicContact OE2-NH1 3.22Å; E102-R105 PolarHBondContact OE2-NH1 3.48Å; R105-V121 HydrophobicContact CB-CG2 4.19Å; R105-V121 HydrophobicContact CG-CG2 4.47Å
106	V	62.8	Low	62.8	Low	32 Å²	32	108.2 Å²	108.2	19%	0.194	56%	0.563	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.8	130.4	-179.1	-167.1	0	0	0	0	108.6	S108 F113 H118 M119	V106-S108 VanDerWaalsContact C-N 3.35Å; V106-S108 WeakPolarHBondContact CG1-O 3.01Å; V106-F113 HydrophobicContact CB-CD2 4.16Å; V106-F113 HydrophobicContact CG1-CD2 4.48Å; V106-H118 HydrophobicContact CB-CB 4.41Å; V106-H118 HydrophobicContact CG2-CB 3.75Å; V106-M119 PolarHBondContact N-O 3.31Å
107	E	60.3	Low	63.9	Low	161 Å²	161	105.7 Å²	105.7	75%	0.752	55%	0.546	S	S	*	.	S	Bend	trans	-81	-18.9	-177.7	-60.6	-171.8	172.4	0	0	112.9
108	S	59.2	Low	65.1	Low	48 Å²	48	97.2 Å²	97.2	34%	0.336	52%	0.516	S	S	.	.	S	Bend	trans	-133.8	148.2	-175	-176.8	0	0	0	0	111.4	V106 D110	V106-S108 VanDerWaalsContact C-N 3.35Å; V106-S108 WeakPolarHBondContact CG1-O 3.01Å; S108-D110 WeakPolarHBondContact CB-OD1 3.04Å; S108-D110 PolarHBondContact O-N 3.1Å; S108-D110 VanDerWaalsContact O-N 3.11Å; S108-D110 PolarHBondContact OG-OD1 3.03Å
109	T	66.3	Low	66	Low	97 Å²	97	94.6 Å²	94.6	60%	0.595	51%	0.507	S	S	*	.			trans	-82.9	62.8	167.8	47.3	0	0	0	0	110.4	F113 L120	T109-F113 HydrophobicContact CG2-CD1 3.74Å; T109-F113 HydrophobicContact CG2-CE1 3.86Å; T109-F113 HydrophobicContact CG2-CG 4.11Å; T109-F113 HydrophobicContact CG2-CZ 4.33Å; T109-L120 HydrophobicContact CG2-CD1 3.65Å
110	D	67.2	Low	66.3	Low	104 Å²	104	92.5 Å²	92.5	56%	0.556	50%	0.497	S	S	*	.			trans	-77.4	177	175.4	-61.1	-25.2	0	0	0	111.1	S108 N112 F113	S108-D110 WeakPolarHBondContact CB-OD1 3.04Å; S108-D110 PolarHBondContact O-N 3.1Å; S108-D110 VanDerWaalsContact O-N 3.11Å; S108-D110 PolarHBondContact OG-OD1 3.03Å; D110-N112 PolarHBondContact O-N 3.33Å; D110-F113 VanDerWaalsContact O-CB 3.22Å; D110-F113 WeakPolarHBondContact O-CB 3.2Å; D110-F113 PolarHBondContact O-N 3.3Å
111	G	66.8	Low	66.5	Low	86 Å²	86	94.4 Å²	94.4	89%	0.887	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-13.7	-179.7	0	0	0	0	0	115.8
112	N	68.4	Low	66	Low	149 Å²	149	101.1 Å²	101.1	80%	0.797	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	0.8	173.8	-71.2	-2.5	0	0	0	113	D110 H118	D110-N112 PolarHBondContact O-N 3.33Å; N112-H118 PolarHBondContact O-CE1 3.22Å; N112-H118 PolarHBondContact O-ND1 2.98Å
113	F	68.8	Low	65.3	Low	55 Å²	55	102.4 Å²	102.4	24%	0.241	54%	0.537	C	S	.	.			trans	-76.9	129.5	179	179.2	-98.8	0	0	0	111.2	V106 T109 D110 E115 H118 L120	V106-F113 HydrophobicContact CB-CD2 4.16Å; V106-F113 HydrophobicContact CG1-CD2 4.48Å; T109-F113 HydrophobicContact CG2-CD1 3.74Å; T109-F113 HydrophobicContact CG2-CE1 3.86Å; T109-F113 HydrophobicContact CG2-CG 4.11Å; T109-F113 HydrophobicContact CG2-CZ 4.33Å; D110-F113 VanDerWaalsContact O-CB 3.22Å; D110-F113 WeakPolarHBondContact O-CB 3.2Å; D110-F113 PolarHBondContact O-N 3.3Å; F113-E115 HydrophobicContact CE1-CB 4.15Å; F113-H118 HydrophobicContact CD2-CB 3.64Å; F113-H118 HydrophobicContact CE2-CB 3.58Å; F113-L120 HydrophobicContact CD2-CD1 4.42Å; F113-L120 HydrophobicContact CE2-CD1 4Å; F113-L120 HydrophobicContact CZ-CD1 4.35Å
114	N	70	Confident	64.2	Low	78 Å²	78	105.2 Å²	105.2	42%	0.417	54%	0.543	S	S	.	.			trans	-130.5	118.8	172.9	174.3	-5.9	0	0	0	108.7	T116 T117 H118	N114-T116 PolarHBondContact ND2-OG1 3.42Å; N114-T116 PolarHBondContact O-N 3.24Å; N114-T116 VanDerWaalsContact O-N 3.12Å; N114-T116 PolarHBondContact OD1-N 3.22Å; N114-T116 PolarHBondContact OD1-OG1 3.08Å; N114-T117 VanDerWaalsContact CB-OG1 3.27Å; N114-T117 WeakPolarHBondContact CB-OG1 3.15Å; N114-T117 VanDerWaalsContact CG-OG1 3.26Å; N114-T117 PolarHBondContact ND2-OG1 2.86Å; N114-T117 PolarHBondContact O-N 3.3Å; N114-T117 PolarHBondContact O-OG1 3.18Å; N114-H118 PolarHBondContact N-ND1 3.14Å; N114-H118 WeakPolarHBondContact O-CB 3.39Å; N114-H118 PolarHBondContact O-N 2.9Å
115	E	72.9	Confident	63.1	Low	170 Å²	170	111.6 Å²	111.6	79%	0.794	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-24.8	-175	-171.1	171.7	-164.6	0	0	113.9	F113	F113-E115 HydrophobicContact CE1-CB 4.15Å
116	T	73.1	Confident	62.5	Low	124 Å²	124	112.1 Å²	112.1	76%	0.761	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-20.7	178.5	59.9	0	0	0	0	113.7	N114	N114-T116 PolarHBondContact ND2-OG1 3.42Å; N114-T116 PolarHBondContact O-N 3.24Å; N114-T116 VanDerWaalsContact O-N 3.12Å; N114-T116 PolarHBondContact OD1-N 3.22Å; N114-T116 PolarHBondContact OD1-OG1 3.08Å
117	T	68.3	Low	62	Low	70 Å²	70	111.6 Å²	111.6	43%	0.429	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.7	-26.7	-173.6	33.6	0	0	0	0	113.3	N114	N114-T117 VanDerWaalsContact CB-OG1 3.27Å; N114-T117 WeakPolarHBondContact CB-OG1 3.15Å; N114-T117 VanDerWaalsContact CG-OG1 3.26Å; N114-T117 PolarHBondContact ND2-OG1 2.86Å; N114-T117 PolarHBondContact O-N 3.3Å; N114-T117 PolarHBondContact O-OG1 3.18Å
118	H	72.8	Confident	62.1	Low	38 Å²	38	106.7 Å²	106.7	18%	0.176	56%	0.558	C	S	.	*			trans	-111.6	137.5	-175.8	-61.6	159.7	0	0	0	111.3	L104 V106 N112 F113 N114	L104-H118 VanDerWaalsContact O-CA 3.28Å; L104-H118 WeakPolarHBondContact O-CA 3.42Å; V106-H118 HydrophobicContact CB-CB 4.41Å; V106-H118 HydrophobicContact CG2-CB 3.75Å; N112-H118 PolarHBondContact O-CE1 3.22Å; N112-H118 PolarHBondContact O-ND1 2.98Å; F113-H118 HydrophobicContact CD2-CB 3.64Å; F113-H118 HydrophobicContact CE2-CB 3.58Å; N114-H118 PolarHBondContact N-ND1 3.14Å; N114-H118 WeakPolarHBondContact O-CB 3.39Å; N114-H118 PolarHBondContact O-N 2.9Å
119	M	68.8	Low	62.8	Low	127 Å²	127	108.7 Å²	108.7	63%	0.626	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.5	130.4	171.2	-70.7	-116.3	-61.3	0	0	110.8	M100 L104 V106 V121	M100-M119 HydrophobicContact CE-CB 3.65Å; M100-M119 HydrophobicContact CE-CG 3.92Å; M100-M119 HydrophobicContact SD-CB 4.13Å; M100-M119 HydrophobicContact SD-CG 3.7Å; L104-M119 PolarHBondContact O-N 3.4Å; V106-M119 PolarHBondContact N-O 3.31Å; M119-V121 PolarHBondContact O-N 2.63Å
120	L	64.1	Low	63.7	Low	74 Å²	74	104.6 Å²	104.6	39%	0.387	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	113.2	174.1	-150.2	88.6	0	0	0	110.1	T109 F113 K122	T109-L120 HydrophobicContact CG2-CD1 3.65Å; F113-L120 HydrophobicContact CD2-CD1 4.42Å; F113-L120 HydrophobicContact CE2-CD1 4Å; F113-L120 HydrophobicContact CZ-CD1 4.35Å; L120-K122 HydrophobicContact CD2-CG 4.49Å; L120-K122 PolarHBondContact O-N 3.45Å; L120-K122 VanDerWaalsContact O-N 3.07Å
121	V	62.6	Low	64.6	Low	67 Å²	67	104.3 Å²	104.3	41%	0.406	53%	0.531	S	S	.	.			trans	-80	94.1	178.3	-176.2	0	0	0	0	109.3	R105 M119 K123	R105-V121 HydrophobicContact CB-CG2 4.19Å; R105-V121 HydrophobicContact CG-CG2 4.47Å; M119-V121 PolarHBondContact O-N 2.63Å; V121-K123 HydrophobicContact CG1-CB 4.06Å; V121-K123 HydrophobicContact CG1-CD 4.35Å; V121-K123 HydrophobicContact CG1-CG 3.93Å; V121-K123 PolarHBondContact O-N 3.46Å
122	K	50.2	Low	65.7	Low	195 Å²	195	101.2 Å²	101.2	85%	0.848	50%	0.495	S	S	*	.			trans	-74.9	58.5	168.6	-65.7	-174.1	-178.6	178.8	0	111.2	L120	L120-K122 HydrophobicContact CD2-CG 4.49Å; L120-K122 PolarHBondContact O-N 3.45Å; L120-K122 VanDerWaalsContact O-N 3.07Å
123	K	48.3	Very low	66.8	Low	171 Å²	171	97.2 Å²	97.2	74%	0.743	47%	0.473	S	S	*	.			trans	-92.8	127.2	163	-79.1	-170.7	175.3	-177.3	0	107.7	V121 K125	V121-K123 HydrophobicContact CG1-CB 4.06Å; V121-K123 HydrophobicContact CG1-CD 4.35Å; V121-K123 HydrophobicContact CG1-CG 3.93Å; V121-K123 PolarHBondContact O-N 3.46Å; K123-K125 PolarHBondContact O-N 3.5Å; K123-K125 VanDerWaalsContact O-N 3.08Å
124	R	44.9	Very low	68	Low	234 Å²	234	101.1 Å²	101.1	88%	0.883	50%	0.497	S	S	*	.			trans	-47.2	121.5	160	-71.2	179.9	179	174.1	-1	105.4	N126	R124-N126 PolarHBondContact O-N 3Å
125	K	45.9	Very low	69.1	Low	187 Å²	187	102.4 Å²	102.4	81%	0.813	50%	0.503	S	S	*	.			trans	-61.3	84.7	178	-70.5	-178	175.6	-176.1	0	107.6	K123 A127	K123-K125 PolarHBondContact O-N 3.5Å; K123-K125 VanDerWaalsContact O-N 3.08Å; K125-A127 PolarHBondContact O-N 3.15Å
126	N	51.3	Low	70.2	Confident	87 Å²	87	94.3 Å²	94.3	47%	0.465	47%	0.465	S	S	.	.			trans	-61.8	118.8	158.2	-72	7.6	0	0	0	103.5	R124	R124-N126 PolarHBondContact O-N 3Å
127	A	52.7	Low	71.3	Confident	21 Å²	21	93.7 Å²	93.7	17%	0.174	45%	0.45	C	S	.	.			trans	-45.9	139.1	179.7	0	0	0	0	0	109.6	K125 Y129 P482	K125-A127 PolarHBondContact O-N 3.15Å; A127-Y129 WeakPolarHBondContact O-CD1 3.47Å; A127-Y129 PolarHBondContact O-N 3.39Å; A127-P482 HydrophobicContact CB-CB 4.12Å; A127-P482 HydrophobicContact CB-CG 4.4Å
128	P	61.8	Low	72.6	Confident	59 Å²	59	93.8 Å²	93.8	38%	0.383	45%	0.453	S	S	.	.			trans	-59.2	105.4	179.4	17.9	-25.2	0	0	0	109.3	V478 P480 P482	P128-V478 HydrophobicContact CB-CG1 4.42Å; P128-V478 VanDerWaalsContact O-CG1 3.31Å; P128-V478 WeakPolarHBondContact O-CG1 3.3Å; P128-P480 WeakPolarHBondContact CG-O 3.39Å; P128-P482 HydrophobicContact CG-CG 3.89Å; P128-P482 WeakPolarHBondContact O-CG 3.44Å
129	Y	72.7	Confident	73.7	Confident	90 Å²	90	94.4 Å²	94.4	35%	0.353	45%	0.454	S	S	.	.			trans	-96.8	160.2	170.4	61.4	-82	0	0	0	108.5	A127 N131 E161	A127-Y129 WeakPolarHBondContact O-CD1 3.47Å; A127-Y129 PolarHBondContact O-N 3.39Å; Y129-N131 WeakPolarHBondContact CE2-OD1 3.43Å; Y129-N131 PolarHBondContact O-N 3.43Å; Y129-E161 HydrophobicContact CD2-CG 4.38Å; Y129-E161 VanDerWaalsContact CD2-OE1 3.25Å; Y129-E161 WeakPolarHBondContact CD2-OE1 3.44Å; Y129-E161 VanDerWaalsContact CE2-OE1 3.27Å; Y129-E161 WeakPolarHBondContact CE2-OE1 3.43Å
130	Y	85.4	Confident	75.1	Confident	11 Å²	11	88.8 Å²	88.8	4%	0.043	43%	0.426	C	S	.	.			trans	-63.7	135.2	175.4	-178	-96.6	0	0	0	109.2	D136 E161 I164 S165 K468 L477 V478	Y130-D136 WeakPolarHBondContact CE1-OD2 3.41Å; Y130-D136 VanDerWaalsContact CZ-OD2 3.31Å; Y130-D136 PolarHBondContact OH-OD1 2.92Å; Y130-D136 PolarHBondContact OH-OD2 3.4Å; Y130-E161 HydrophobicContact CD1-CG 4.44Å; Y130-E161 WeakPolarHBondContact O-CG 3.33Å; Y130-I164 HydrophobicContact CD1-CB 3.92Å; Y130-I164 HydrophobicContact CD1-CD1 4.28Å; Y130-I164 HydrophobicContact CD1-CG2 3.83Å; Y130-I164 HydrophobicContact CD2-CB 4.44Å; Y130-I164 HydrophobicContact CD2-CG2 3.45Å; Y130-I164 VanDerWaalsContact CD2-CG2 3.45Å; Y130-I164 HydrophobicContact CE1-CB 4.12Å; Y130-I164 HydrophobicContact CE1-CD1 3.58Å; Y130-I164 HydrophobicContact CE1-CG1 4.4Å; Y130-I164 HydrophobicContact CE1-CG2 4.02Å; Y130-I164 HydrophobicContact CE2-CD1 4.34Å; Y130-I164 HydrophobicContact CE2-CG2 3.64Å; Y130-I164 HydrophobicContact CG-CB 4.07Å; Y130-I164 HydrophobicContact CG-CG2 3.52Å; Y130-S165 VanDerWaalsContact CB-OG 3.29Å; Y130-S165 WeakPolarHBondContact CB-OG 3.48Å; Y130-S165 PolarHBondContact N-OG 2.95Å; Y130-K468 WeakPolarHBondContact OH-CE 3.49Å; Y130-K468 PolarHBondContact OH-NZ 2.99Å; Y130-L477 HydrophobicContact CD2-CB 4.09Å; Y130-L477 HydrophobicContact CE2-CB 3.96Å; Y130-L477 HydrophobicContact CE2-CD1 4.09Å; Y130-V478 HydrophobicContact CD2-CG2 4.32Å
131	N	86.4	Confident	76.6	Confident	97 Å²	97	88.1 Å²	88.1	52%	0.519	43%	0.432	S	S	.	.			trans	-114.2	135.4	174.6	-65.8	-60.9	0	0	0	108.8	Y129 D133	Y129-N131 WeakPolarHBondContact CE2-OD1 3.43Å; Y129-N131 PolarHBondContact O-N 3.43Å; N131-D133 PolarHBondContact O-N 2.93Å
132	V	90.5	Very high	78.2	Confident	22 Å²	22	88.7 Å²	88.7	13%	0.133	44%	0.435	C	S	.	.			trans	-62.1	126.6	176.8	-175.7	0	0	0	0	110.1	D136 Y137 I140 D157 L160 E161	V132-D136 WeakPolarHBondContact CA-OD2 3.5Å; V132-D136 HydrophobicContact CB-CB 4.49Å; V132-D136 HydrophobicContact CG1-CB 3.51Å; V132-Y137 HydrophobicContact CB-CE2 4.37Å; V132-Y137 HydrophobicContact CG1-CD1 4.35Å; V132-Y137 HydrophobicContact CG1-CD2 4.05Å; V132-Y137 HydrophobicContact CG1-CE1 4.09Å; V132-Y137 HydrophobicContact CG1-CE2 3.77Å; V132-Y137 HydrophobicContact CG1-CG 4.31Å; V132-I140 HydrophobicContact CG1-CD1 4.3Å; V132-D157 HydrophobicContact CG2-CB 4.39Å; V132-L160 HydrophobicContact CG1-CD2 4.3Å; V132-L160 HydrophobicContact CG2-CD2 4.42Å; V132-E161 HydrophobicContact CG2-CB 4.11Å
133	D	90.8	Very high	80.3	Confident	64 Å²	64	80.4 Å²	80.4	34%	0.342	40%	0.401	S	S	.	.			trans	-107.6	177.5	179	67.9	20.4	0	0	0	113.5	N131 L135 D136 Y137 K468	N131-D133 PolarHBondContact O-N 2.93Å; D133-L135 PolarHBondContact O-N 3.41Å; D133-L135 WeakPolarHBondContact OD1-CB 3.44Å; D133-L135 PolarHBondContact OD1-N 2.87Å; D133-L135 VanDerWaalsContact OD1-N 3.16Å; D133-D136 PolarHBondContact N-OD2 2.99Å; D133-D136 VanDerWaalsContact O-CB 3.29Å; D133-D136 WeakPolarHBondContact O-CB 3.31Å; D133-D136 PolarHBondContact O-N 3.48Å; D133-D136 VanDerWaalsContact O-N 3.09Å; D133-D136 PolarHBondContact OD1-N 3.06Å; D133-Y137 WeakPolarHBondContact O-CD2 3.37Å; D133-Y137 PolarHBondContact O-N 3.49Å; D133-K468 IonicContact OD1-NZ 2.99Å; D133-K468 PolarHBondContact OD1-NZ 2.88Å; D133-K468 WeakPolarHBondContact OD2-CE 3.44Å; D133-K468 IonicContact OD2-NZ 2.61Å; D133-K468 PolarHBondContact OD2-NZ 2.67Å
134	D	93.6	Very high	82.6	Confident	138 Å²	138	73.5 Å²	73.5	74%	0.738	37%	0.372	S	S	*	.	H	α-helix	trans	-62.9	-29.7	-177.5	-65.9	-23.5	0	0	0	112.9	S138	D134-S138 PolarHBondContact O-N 2.93Å; D134-S138 VanDerWaalsContact O-N 3.09Å; D134-S138 PolarHBondContact O-OG 3.34Å
135	L	93.4	Very high	85	Confident	104 Å²	104	68.5 Å²	68.5	55%	0.545	36%	0.359	S	S	.	.	H	α-helix	trans	-70.6	-39.9	175.1	178.3	64.5	0	0	0	110.5	D133 S138 W139	D133-L135 PolarHBondContact O-N 3.41Å; D133-L135 WeakPolarHBondContact OD1-CB 3.44Å; D133-L135 PolarHBondContact OD1-N 2.87Å; D133-L135 VanDerWaalsContact OD1-N 3.16Å; L135-S138 PolarHBondContact O-N 2.79Å; L135-W139 PolarHBondContact O-N 3.17Å
136	D	96	Very high	87.4	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.1	-46.5	173.5	-65.9	-34.1	0	0	0	111.4	Y130 V132 D133 S138 W139 I140 L160 Y464 K468	Y130-D136 WeakPolarHBondContact CE1-OD2 3.41Å; Y130-D136 VanDerWaalsContact CZ-OD2 3.31Å; Y130-D136 PolarHBondContact OH-OD1 2.92Å; Y130-D136 PolarHBondContact OH-OD2 3.4Å; V132-D136 WeakPolarHBondContact CA-OD2 3.5Å; V132-D136 HydrophobicContact CB-CB 4.49Å; V132-D136 HydrophobicContact CG1-CB 3.51Å; D133-D136 PolarHBondContact N-OD2 2.99Å; D133-D136 VanDerWaalsContact O-CB 3.29Å; D133-D136 WeakPolarHBondContact O-CB 3.31Å; D133-D136 PolarHBondContact O-N 3.48Å; D133-D136 VanDerWaalsContact O-N 3.09Å; D133-D136 PolarHBondContact OD1-N 3.06Å; D136-S138 VanDerWaalsContact C-N 3.27Å; D136-S138 PolarHBondContact O-N 2.85Å; D136-W139 PolarHBondContact O-N 3.2Å; D136-W139 VanDerWaalsContact O-N 3.14Å; D136-I140 WeakPolarHBondContact O-CB 3.31Å; D136-I140 VanDerWaalsContact O-CG1 3.28Å; D136-I140 WeakPolarHBondContact O-CG1 3.48Å; D136-I140 PolarHBondContact O-N 2.72Å; D136-L160 HydrophobicContact CB-CD2 3.45Å; D136-L160 VanDerWaalsContact CB-CD2 3.45Å; D136-Y464 WeakPolarHBondContact OD1-CE1 3.31Å; D136-Y464 PolarHBondContact OD1-OH 3.31Å; D136-K468 IonicContact OD1-NZ 2.99Å; D136-K468 PolarHBondContact OD1-NZ 3.31Å; D136-K468 IonicContact OD2-NZ 2.99Å; D136-K468 PolarHBondContact OD2-NZ 2.98Å; D136-K468 VanDerWaalsContact OD2-NZ 3.12Å
137	Y	96	Very high	89.4	Confident	111 Å²	111	62.6 Å²	62.6	44%	0.435	33%	0.33	S	S	.	.	H	α-helix	trans	-58.3	-41.6	176.6	-80.4	-62.6	0	0	0	112.2	V132 D133 A141 D157	V132-Y137 HydrophobicContact CB-CE2 4.37Å; V132-Y137 HydrophobicContact CG1-CD1 4.35Å; V132-Y137 HydrophobicContact CG1-CD2 4.05Å; V132-Y137 HydrophobicContact CG1-CE1 4.09Å; V132-Y137 HydrophobicContact CG1-CE2 3.77Å; V132-Y137 HydrophobicContact CG1-CG 4.31Å; D133-Y137 WeakPolarHBondContact O-CD2 3.37Å; D133-Y137 PolarHBondContact O-N 3.49Å; Y137-A141 WeakPolarHBondContact O-CB 3.23Å; Y137-A141 PolarHBondContact O-N 3.37Å; Y137-D157 WeakPolarHBondContact CE1-OD2 2.98Å; Y137-D157 PolarHBondContact OH-OD2 3.48Å
138	S	96.2	Very high	91.5	Very high	72 Å²	72	68.2 Å²	68.2	50%	0.503	35%	0.353	S	S	.	.	H	α-helix	trans	-64.3	-43.2	176.3	-57.3	0	0	0	0	111.4	D134 L135 D136 A141 T142	D134-S138 PolarHBondContact O-N 2.93Å; D134-S138 VanDerWaalsContact O-N 3.09Å; D134-S138 PolarHBondContact O-OG 3.34Å; L135-S138 PolarHBondContact O-N 2.79Å; D136-S138 VanDerWaalsContact C-N 3.27Å; D136-S138 PolarHBondContact O-N 2.85Å; S138-A141 PolarHBondContact O-N 3.07Å; S138-T142 PolarHBondContact O-N 3.48Å; S138-T142 VanDerWaalsContact O-N 3.12Å; S138-T142 PolarHBondContact O-OG1 3.21Å; S138-T142 VanDerWaalsContact O-OG1 3.13Å
139	W	96.7	Very high	93.1	Very high	51 Å²	51	70.7 Å²	70.7	19%	0.193	37%	0.37	C	S	.	.	H	α-helix	trans	-65.3	-45.4	176.9	179.3	81.7	0	0	0	112.3	L135 D136 A141 T142 V143 V155 L160 A460 I461 Y464	L135-W139 PolarHBondContact O-N 3.17Å; D136-W139 PolarHBondContact O-N 3.2Å; D136-W139 VanDerWaalsContact O-N 3.14Å; W139-A141 VanDerWaalsContact C-N 3.3Å; W139-A141 PolarHBondContact O-N 2.89Å; W139-T142 PolarHBondContact O-N 3Å; W139-V143 HydrophobicContact CD2-CG2 4.04Å; W139-V143 HydrophobicContact CG-CG2 4.5Å; W139-V143 HydrophobicContact CH2-CG2 4.23Å; W139-V143 HydrophobicContact CZ2-CG2 3.69Å; W139-V143 WeakPolarHBondContact O-CG2 3.5Å; W139-V143 PolarHBondContact O-N 3.46Å; W139-V155 HydrophobicContact CZ3-CG1 4.4Å; W139-L160 HydrophobicContact CE3-CD1 4.08Å; W139-L160 HydrophobicContact CZ3-CD1 3.7Å; W139-A460 HydrophobicContact CH2-CB 4.49Å; W139-I461 HydrophobicContact CH2-CG1 3.93Å; W139-I461 HydrophobicContact CZ3-CG1 4.2Å; W139-Y464 HydrophobicContact CB-CD2 4.29Å; W139-Y464 HydrophobicContact CB-CE2 3.68Å; W139-Y464 AromaticContact CD1-CD2 3.3Å; W139-Y464 AromaticContact CD1-CE2 3.5Å; W139-Y464 VanDerWaalsContact CD1-CE2 3.5Å; W139-Y464 HydrophobicContact CD2-CD1 4Å; W139-Y464 AromaticContact CD2-CD2 3.64Å; W139-Y464 HydrophobicContact CD2-CD2 3.64Å; W139-Y464 HydrophobicContact CD2-CE1 4.27Å; W139-Y464 AromaticContact CD2-CE2 3.92Å; W139-Y464 HydrophobicContact CD2-CE2 3.92Å; W139-Y464 AromaticContact CD2-CG 3.67Å; W139-Y464 HydrophobicContact CD2-CG 3.67Å; W139-Y464 AromaticContact CE2-CD2 3.57Å; W139-Y464 AromaticContact CE2-CG 3.52Å; W139-Y464 HydrophobicContact CE3-CD1 4.1Å; W139-Y464 HydrophobicContact CE3-CE1 4.34Å; W139-Y464 HydrophobicContact CE3-CG 4.19Å; W139-Y464 HydrophobicContact CG-CD1 4.47Å; W139-Y464 AromaticContact CG-CD2 3.47Å; W139-Y464 HydrophobicContact CG-CD2 3.47Å; W139-Y464 VanDerWaalsContact CG-CD2 3.47Å; W139-Y464 HydrophobicContact CG-CE1 4.4Å; W139-Y464 AromaticContact CG-CE2 3.37Å; W139-Y464 HydrophobicContact CG-CE2 3.37Å; W139-Y464 HydrophobicContact CG-CG 4.03Å; W139-Y464 AromaticContact CG-CZ 3.87Å; W139-Y464 HydrophobicContact CH2-CG 4.42Å; W139-Y464 VanDerWaalsContact CZ2-CB 3.5Å; W139-Y464 HydrophobicContact CZ2-CD2 4.38Å; W139-Y464 AromaticContact CZ2-CG 3.92Å; W139-Y464 HydrophobicContact CZ2-CG 3.92Å; W139-Y464 HydrophobicContact CZ3-CD1 4.45Å; W139-Y464 AromaticContact NE1-CD2 3.34Å; W139-Y464 VanDerWaalsContact NE1-CD2 3.34Å; W139-Y464 AromaticContact NE1-CG 3.78Å
140	I	97.3	Very high	94.1	Very high	9 Å²	9	72.2 Å²	72.2	5%	0.046	38%	0.384	C	S	.	.	H	α-helix	trans	-56.6	-46.8	175.4	-71	169	0	0	0	109.7	V132 D136 T142 V143 N144 V155 L160	V132-I140 HydrophobicContact CG1-CD1 4.3Å; D136-I140 WeakPolarHBondContact O-CB 3.31Å; D136-I140 VanDerWaalsContact O-CG1 3.28Å; D136-I140 WeakPolarHBondContact O-CG1 3.48Å; D136-I140 PolarHBondContact O-N 2.72Å; I140-T142 PolarHBondContact O-N 3.48Å; I140-V143 PolarHBondContact O-N 3.06Å; I140-N144 VanDerWaalsContact CG2-ND2 3.29Å; I140-N144 WeakPolarHBondContact CG2-ND2 3.44Å; I140-N144 WeakPolarHBondContact O-CB 3.35Å; I140-N144 VanDerWaalsContact O-CG 3.22Å; I140-N144 PolarHBondContact O-N 3.44Å; I140-V155 WeakPolarHBondContact CG2-O 3.47Å; I140-L160 HydrophobicContact CD1-CB 4.24Å; I140-L160 HydrophobicContact CD1-CD2 3.81Å; I140-L160 HydrophobicContact CG1-CD2 4.21Å
141	A	96	Very high	94.4	Very high	60 Å²	60	75.2 Å²	75.2	50%	0.496	42%	0.418	S	S	.	.	H	α-helix	trans	-59.5	-47	179.5	0	0	0	0	0	112.1	Y137 S138 W139 N144 E145	Y137-A141 WeakPolarHBondContact O-CB 3.23Å; Y137-A141 PolarHBondContact O-N 3.37Å; S138-A141 PolarHBondContact O-N 3.07Å; W139-A141 VanDerWaalsContact C-N 3.3Å; W139-A141 PolarHBondContact O-N 2.89Å; A141-N144 PolarHBondContact O-N 2.96Å; A141-E145 PolarHBondContact O-N 3.33Å
142	T	95.8	Very high	94.7	Very high	79 Å²	79	74.7 Å²	74.7	49%	0.485	41%	0.413	S	S	.	.	H	α-helix	trans	-64	-44.6	178.4	-55.7	0	0	0	0	112.3	S138 W139 I140 N144 E145 E146	S138-T142 PolarHBondContact O-N 3.48Å; S138-T142 VanDerWaalsContact O-N 3.12Å; S138-T142 PolarHBondContact O-OG1 3.21Å; S138-T142 VanDerWaalsContact O-OG1 3.13Å; W139-T142 PolarHBondContact O-N 3Å; I140-T142 PolarHBondContact O-N 3.48Å; T142-N144 VanDerWaalsContact C-N 3.34Å; T142-E145 PolarHBondContact O-N 2.89Å; T142-E146 PolarHBondContact O-N 3.21Å
143	V	95.3	Very high	94.8	Very high	21 Å²	21	77.6 Å²	77.6	13%	0.127	43%	0.43	C	S	.	.	H	α-helix	trans	-68.2	-37	179	172.1	0	0	0	0	111.2	W139 I140 E146 R147 V155	W139-V143 HydrophobicContact CD2-CG2 4.04Å; W139-V143 HydrophobicContact CG-CG2 4.5Å; W139-V143 HydrophobicContact CH2-CG2 4.23Å; W139-V143 HydrophobicContact CZ2-CG2 3.69Å; W139-V143 WeakPolarHBondContact O-CG2 3.5Å; W139-V143 PolarHBondContact O-N 3.46Å; I140-V143 PolarHBondContact O-N 3.06Å; V143-E146 PolarHBondContact O-N 3.11Å; V143-R147 HydrophobicContact CG1-CG 4.21Å; V143-R147 WeakPolarHBondContact O-CB 3.35Å; V143-R147 WeakPolarHBondContact O-CG 3.06Å; V143-R147 PolarHBondContact O-N 3.38Å; V143-V155 HydrophobicContact CG1-CG2 4.09Å
144	N	96.2	Very high	95	Very high	26 Å²	26	77.8 Å²	77.8	14%	0.139	43%	0.431	C	S	.	.	H	α-helix	trans	-70.1	-34.2	177.8	-76.6	-12.5	0	0	0	112.8	I140 A141 T142 E146 R147 E148 L154 V155	I140-N144 VanDerWaalsContact CG2-ND2 3.29Å; I140-N144 WeakPolarHBondContact CG2-ND2 3.44Å; I140-N144 WeakPolarHBondContact O-CB 3.35Å; I140-N144 VanDerWaalsContact O-CG 3.22Å; I140-N144 PolarHBondContact O-N 3.44Å; A141-N144 PolarHBondContact O-N 2.96Å; T142-N144 VanDerWaalsContact C-N 3.34Å; N144-E146 VanDerWaalsContact C-N 3.32Å; N144-E146 PolarHBondContact O-N 3.33Å; N144-R147 PolarHBondContact O-N 3.5Å; N144-E148 WeakPolarHBondContact O-CB 3.36Å; N144-E148 PolarHBondContact O-N 2.94Å; N144-L154 HydrophobicContact CB-CD2 4.15Å; N144-V155 PolarHBondContact ND2-O 3.43Å; N144-V155 WeakPolarHBondContact OD1-CB 3.33Å; N144-V155 PolarHBondContact OD1-N 2.89Å
145	E	96.2	Very high	95.1	Very high	130 Å²	130	71.3 Å²	71.3	61%	0.607	40%	0.397	S	S	*	.	H	α-helix	trans	-57.7	-46	172.3	-176.8	179.5	-176.2	0	0	111	A141 T142 C149	A141-E145 PolarHBondContact O-N 3.33Å; T142-E145 PolarHBondContact O-N 2.89Å; E145-C149 PolarHBondContact O-N 3.44Å; E145-C149 PolarHBondContact O-SG 3.31Å
146	E	94.6	Very high	95	Very high	128 Å²	128	70.9 Å²	70.9	60%	0.598	39%	0.392	S	S	*	.	H	α-helix	trans	-66.3	-43.2	176.3	-66.5	-175.8	167.6	0	0	112	T142 V143 N144 C149 L150	T142-E146 PolarHBondContact O-N 3.21Å; V143-E146 PolarHBondContact O-N 3.11Å; N144-E146 VanDerWaalsContact C-N 3.32Å; N144-E146 PolarHBondContact O-N 3.33Å; E146-C149 PolarHBondContact O-N 3.2Å; E146-L150 WeakPolarHBondContact O-CG 3.47Å; E146-L150 PolarHBondContact O-N 3.23Å
147	R	95	Very high	94.8	Very high	21 Å²	21	74 Å²	74	8%	0.079	41%	0.409	C	S	.	.	H	α-helix	trans	-69.9	-34.2	-178.9	-69.5	176.6	76.7	81.9	5	112.4	V143 N144 L150 G151 Q152 V153 L154 D456	V143-R147 HydrophobicContact CG1-CG 4.21Å; V143-R147 WeakPolarHBondContact O-CB 3.35Å; V143-R147 WeakPolarHBondContact O-CG 3.06Å; V143-R147 PolarHBondContact O-N 3.38Å; N144-R147 PolarHBondContact O-N 3.5Å; R147-L150 CarbonylContact O-C 3.54Å; R147-L150 PolarHBondContact O-N 3.39Å; R147-G151 PolarHBondContact O-N 3.11Å; R147-Q152 HydrophobicContact CB-CB 4.09Å; R147-Q152 HydrophobicContact CG-CB 4.44Å; R147-Q152 PolarHBondContact O-N 3.47Å; R147-V153 PolarHBondContact NE-O 3.32Å; R147-V153 PolarHBondContact NH2-O 3.36Å; R147-L154 HydrophobicContact CB-CD2 4.16Å; R147-D456 IonicContact CZ-OD2 3.18Å; R147-D456 IonicContact NH1-OD2 3.44Å; R147-D456 PolarHBondContact NH1-OD2 2.87Å; R147-D456 IonicContact NH2-OD2 2.61Å; R147-D456 PolarHBondContact NH2-OD2 3.4Å
148	E	95	Very high	94.4	Very high	140 Å²	140	70.9 Å²	70.9	65%	0.654	40%	0.396	S	S	*	.	H	α-helix	trans	-64	-44.1	173.7	-173.3	169.1	-151.4	0	0	110.7	N144 L150 G151 L154	N144-E148 WeakPolarHBondContact O-CB 3.36Å; N144-E148 PolarHBondContact O-N 2.94Å; E148-L150 PolarHBondContact O-N 2.96Å; E148-G151 PolarHBondContact O-N 3.48Å; E148-L154 HydrophobicContact CB-CD2 4Å
149	C	95.2	Very high	94.2	Very high	110 Å²	110	68 Å²	68	74%	0.743	37%	0.374	S	S	*	.	H	α-helix	trans	-60.3	-32.6	174.7	-68.3	0	0	0	0	113	E145 E146	E145-C149 PolarHBondContact O-N 3.44Å; E145-C149 PolarHBondContact O-SG 3.31Å; E146-C149 PolarHBondContact O-N 3.2Å
150	L	94.8	Very high	94.1	Very high	123 Å²	123	65.5 Å²	65.5	64%	0.644	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	0.9	177.9	-63.3	176.2	0	0	0	113.6	E146 R147 E148 Q152	E146-L150 WeakPolarHBondContact O-CG 3.47Å; E146-L150 PolarHBondContact O-N 3.23Å; R147-L150 CarbonylContact O-C 3.54Å; R147-L150 PolarHBondContact O-N 3.39Å; E148-L150 PolarHBondContact O-N 2.96Å; L150-Q152 HydrophobicContact CB-CG 3.94Å; L150-Q152 PolarHBondContact O-N 2.89Å
151	G	91.4	Very high	93.7	Very high	73 Å²	73	67.2 Å²	67.2	75%	0.753	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	26.6	-176.4	0	0	0	0	0	113.9	R147 E148	R147-G151 PolarHBondContact O-N 3.11Å; E148-G151 PolarHBondContact O-N 3.48Å
152	Q	93.3	Very high	93.3	Very high	86 Å²	86	66.3 Å²	66.3	40%	0.402	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-90.2	161.6	-179.6	-67.1	-175.2	-22.1	0	0	111.8	R147 L150 L154	R147-Q152 HydrophobicContact CB-CB 4.09Å; R147-Q152 HydrophobicContact CG-CB 4.44Å; R147-Q152 PolarHBondContact O-N 3.47Å; L150-Q152 HydrophobicContact CB-CG 3.94Å; L150-Q152 PolarHBondContact O-N 2.89Å; Q152-L154 PolarHBondContact O-N 2.93Å
153	V	92.7	Very high	93.1	Very high	83 Å²	83	62.6 Å²	62.6	50%	0.503	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-60.8	126.3	175.8	-179.5	0	0	0	0	109.7	R147 P454 I457	R147-V153 PolarHBondContact NE-O 3.32Å; R147-V153 PolarHBondContact NH2-O 3.36Å; V153-P454 HydrophobicContact CG1-CG 4.47Å; V153-I457 HydrophobicContact CB-CD1 4.26Å; V153-I457 HydrophobicContact CG1-CD1 4.02Å
154	L	95	Very high	92.9	Very high	69 Å²	69	61.6 Å²	61.6	36%	0.361	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-72.3	145.7	178.3	-55.7	-175.2	0	0	0	111.1	N144 R147 E148 Q152 E156	N144-L154 HydrophobicContact CB-CD2 4.15Å; R147-L154 HydrophobicContact CB-CD2 4.16Å; E148-L154 HydrophobicContact CB-CD2 4Å; Q152-L154 PolarHBondContact O-N 2.93Å; L154-E156 PolarHBondContact O-N 2.74Å
155	V	94.3	Very high	92.6	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.012	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-77.4	117.2	174.6	-174	0	0	0	0	108.7	W139 I140 V143 N144 I457 I461	W139-V155 HydrophobicContact CZ3-CG1 4.4Å; I140-V155 WeakPolarHBondContact CG2-O 3.47Å; V143-V155 HydrophobicContact CG1-CG2 4.09Å; N144-V155 PolarHBondContact ND2-O 3.43Å; N144-V155 WeakPolarHBondContact OD1-CB 3.33Å; N144-V155 PolarHBondContact OD1-N 2.89Å; V155-I457 HydrophobicContact CG1-CG2 4.2Å; V155-I457 HydrophobicContact CG2-CD1 4.33Å; V155-I457 HydrophobicContact CG2-CG1 4.24Å; V155-I457 HydrophobicContact CG2-CG2 4.02Å; V155-I461 HydrophobicContact CG1-CD1 4.41Å
156	E	92.5	Very high	92.2	Very high	95 Å²	95	54.3 Å²	54.3	44%	0.444	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-93.5	154	174.6	-63.9	178.2	-157.8	0	0	111.2	L154 W158 M159 L160	L154-E156 PolarHBondContact O-N 2.74Å; E156-W158 VanDerWaalsContact C-N 3.27Å; E156-W158 PolarHBondContact O-N 2.96Å; E156-W158 PolarHBondContact OE2-NE1 3.26Å; E156-M159 HydrophobicContact CB-CE 4.28Å; E156-M159 HydrophobicContact CB-CG 4.18Å; E156-M159 HydrophobicContact CB-SD 4.38Å; E156-M159 HydrophobicContact CG-CE 4.14Å; E156-M159 WeakPolarHBondContact O-CA 3.3Å; E156-M159 VanDerWaalsContact O-CB 3.3Å; E156-M159 WeakPolarHBondContact O-CB 3.26Å; E156-M159 PolarHBondContact O-N 3.32Å; E156-L160 PolarHBondContact O-N 3.46Å
157	D	91.5	Very high	92.1	Very high	66 Å²	66	48.2 Å²	48.2	35%	0.353	27%	0.266	S	S	.	.	H	α-helix	trans	-48.5	-46.3	179.9	-63	9.3	0	0	0	112.8	V132 Y137 M159 L160 E161	V132-D157 HydrophobicContact CG2-CB 4.39Å; Y137-D157 WeakPolarHBondContact CE1-OD2 2.98Å; Y137-D157 PolarHBondContact OH-OD2 3.48Å; D157-M159 VanDerWaalsContact C-N 3.26Å; D157-M159 PolarHBondContact O-N 3.04Å; D157-L160 PolarHBondContact O-N 2.97Å; D157-E161 WeakPolarHBondContact O-CB 3.3Å; D157-E161 PolarHBondContact O-N 3.39Å
158	W	87.6	Confident	91.9	Very high	45 Å²	45	47.3 Å²	47.3	17%	0.17	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-27.8	-178.8	74.5	-91.9	0	0	0	112.6	E156 K162 R451 V453	E156-W158 VanDerWaalsContact C-N 3.27Å; E156-W158 PolarHBondContact O-N 2.96Å; E156-W158 PolarHBondContact OE2-NE1 3.26Å; W158-K162 HydrophobicContact CE3-CD 4.08Å; W158-K162 HydrophobicContact CZ3-CD 3.84Å; W158-K162 WeakPolarHBondContact O-CB 3.41Å; W158-K162 PolarHBondContact O-N 3.29Å; W158-R451 HydrophobicContact CH2-CB 3.29Å; W158-R451 HydrophobicContact CH2-CG 4.41Å; W158-R451 HydrophobicContact CZ2-CB 3.71Å; W158-R451 HydrophobicContact CZ2-CG 4.42Å; W158-R451 HydrophobicContact CZ3-CB 3.8Å; W158-V453 HydrophobicContact CH2-CG2 3.74Å; W158-V453 HydrophobicContact CZ3-CG2 3.57Å
159	M	92.3	Very high	91.6	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.049	23%	0.234	C	C	.	.	H	α-helix	trans	-68.4	-45.7	176.7	-60.6	-178.8	-175.6	0	0	109.8	E156 D157 V163 V453 I457	E156-M159 HydrophobicContact CB-CE 4.28Å; E156-M159 HydrophobicContact CB-CG 4.18Å; E156-M159 HydrophobicContact CB-SD 4.38Å; E156-M159 HydrophobicContact CG-CE 4.14Å; E156-M159 WeakPolarHBondContact O-CA 3.3Å; E156-M159 VanDerWaalsContact O-CB 3.3Å; E156-M159 WeakPolarHBondContact O-CB 3.26Å; E156-M159 PolarHBondContact O-N 3.32Å; D157-M159 VanDerWaalsContact C-N 3.26Å; D157-M159 PolarHBondContact O-N 3.04Å; M159-V163 WeakPolarHBondContact O-CB 3.45Å; M159-V163 VanDerWaalsContact O-CG2 3.22Å; M159-V163 WeakPolarHBondContact O-CG2 3.17Å; M159-V163 PolarHBondContact O-N 3.39Å; M159-V453 HydrophobicContact CB-CG1 4.24Å; M159-V453 HydrophobicContact CB-CG2 4.47Å; M159-V453 HydrophobicContact CG-CG1 4.41Å; M159-V453 HydrophobicContact CG-CG2 4.39Å; M159-I457 HydrophobicContact CB-CG2 4.45Å; M159-I457 HydrophobicContact SD-CD1 3.81Å; M159-I457 HydrophobicContact SD-CG2 4.25Å
160	L	93.2	Very high	91.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.2	-51	175.1	-173.9	77.2	0	0	0	110.9	V132 D136 W139 I140 E156 D157 K162 V163 I164 I461 Y464	V132-L160 HydrophobicContact CG1-CD2 4.3Å; V132-L160 HydrophobicContact CG2-CD2 4.42Å; D136-L160 HydrophobicContact CB-CD2 3.45Å; D136-L160 VanDerWaalsContact CB-CD2 3.45Å; W139-L160 HydrophobicContact CE3-CD1 4.08Å; W139-L160 HydrophobicContact CZ3-CD1 3.7Å; I140-L160 HydrophobicContact CD1-CB 4.24Å; I140-L160 HydrophobicContact CD1-CD2 3.81Å; I140-L160 HydrophobicContact CG1-CD2 4.21Å; E156-L160 PolarHBondContact O-N 3.46Å; D157-L160 PolarHBondContact O-N 2.97Å; L160-K162 VanDerWaalsContact C-N 3.33Å; L160-K162 PolarHBondContact O-N 3.17Å; L160-V163 PolarHBondContact O-N 3.44Å; L160-I164 HydrophobicContact CD1-CD1 3.74Å; L160-I164 HydrophobicContact CD1-CG1 4.29Å; L160-I164 HydrophobicContact CD2-CD1 4.3Å; L160-I164 HydrophobicContact CG-CD1 3.78Å; L160-I164 HydrophobicContact CG-CG1 4.4Å; L160-I164 WeakPolarHBondContact O-CB 3.4Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 2.91Å; L160-I461 HydrophobicContact CD1-CB 4.38Å; L160-I461 HydrophobicContact CD1-CD1 4.35Å; L160-I461 HydrophobicContact CD1-CG1 3.87Å; L160-I461 HydrophobicContact CD1-CG2 3.75Å; L160-Y464 HydrophobicContact CD1-CD1 3.97Å; L160-Y464 HydrophobicContact CD1-CE1 4.22Å
161	E	89.6	Confident	91.2	Very high	45 Å²	45	31.2 Å²	31.2	21%	0.21	17%	0.173	C	C	.	.	H	α-helix	trans	-57.9	-46.3	-177.6	-162.2	-177.6	105.2	0	0	112.2	Y129 Y130 V132 D157 S165	Y129-E161 HydrophobicContact CD2-CG 4.38Å; Y129-E161 VanDerWaalsContact CD2-OE1 3.25Å; Y129-E161 WeakPolarHBondContact CD2-OE1 3.44Å; Y129-E161 VanDerWaalsContact CE2-OE1 3.27Å; Y129-E161 WeakPolarHBondContact CE2-OE1 3.43Å; Y130-E161 HydrophobicContact CD1-CG 4.44Å; Y130-E161 WeakPolarHBondContact O-CG 3.33Å; V132-E161 HydrophobicContact CG2-CB 4.11Å; D157-E161 WeakPolarHBondContact O-CB 3.3Å; D157-E161 PolarHBondContact O-N 3.39Å; E161-S165 WeakPolarHBondContact O-CB 3.43Å; E161-S165 PolarHBondContact O-N 3.48Å; E161-S165 PolarHBondContact O-OG 3.01Å
162	K	87.2	Confident	91	Very high	41 Å²	41	30.5 Å²	30.5	18%	0.178	15%	0.148	C	C	.	.	H	α-helix	trans	-65.9	-45.2	-179.7	-173.4	176.5	-174.7	173.3	0	111.9	W158 L160 A166 L430 R451 V453	W158-K162 HydrophobicContact CE3-CD 4.08Å; W158-K162 HydrophobicContact CZ3-CD 3.84Å; W158-K162 WeakPolarHBondContact O-CB 3.41Å; W158-K162 PolarHBondContact O-N 3.29Å; L160-K162 VanDerWaalsContact C-N 3.33Å; L160-K162 PolarHBondContact O-N 3.17Å; K162-A166 WeakPolarHBondContact O-CB 3.3Å; K162-A166 PolarHBondContact O-N 3.27Å; K162-L430 HydrophobicContact CG-CD2 4.19Å; K162-R451 PolarHBondContact NZ-O 2.93Å; K162-V453 HydrophobicContact CD-CG2 4.25Å
163	V	91.4	Very high	90.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-71.3	-42.8	-178.1	175.9	0	0	0	0	111.2	M159 L160 A166 L167 L426 L430 V453 R458 I461	M159-V163 WeakPolarHBondContact O-CB 3.45Å; M159-V163 VanDerWaalsContact O-CG2 3.22Å; M159-V163 WeakPolarHBondContact O-CG2 3.17Å; M159-V163 PolarHBondContact O-N 3.39Å; L160-V163 PolarHBondContact O-N 3.44Å; V163-A166 PolarHBondContact O-N 3.01Å; V163-L167 HydrophobicContact CG1-CD1 3.97Å; V163-L167 HydrophobicContact CG1-CG 4.48Å; V163-L167 WeakPolarHBondContact O-CG 3.29Å; V163-L167 PolarHBondContact O-N 3.01Å; V163-L426 HydrophobicContact CG1-CD1 4.43Å; V163-L426 HydrophobicContact CG1-CD2 3.83Å; V163-L430 HydrophobicContact CG2-CD1 3.95Å; V163-V453 HydrophobicContact CG2-CG1 4.15Å; V163-R458 HydrophobicContact CG2-CG 4.3Å; V163-I461 HydrophobicContact CB-CB 4.25Å; V163-I461 HydrophobicContact CB-CD1 3.96Å; V163-I461 HydrophobicContact CB-CG2 3.77Å; V163-I461 HydrophobicContact CG1-CB 3.83Å; V163-I461 HydrophobicContact CG1-CD1 4.38Å; V163-I461 HydrophobicContact CG1-CG2 3.48Å; V163-I461 VanDerWaalsContact CG1-CG2 3.48Å; V163-I461 HydrophobicContact CG2-CD1 3.91Å
164	I	92.3	Very high	90.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.1	-44.5	176.6	-67.2	-179.2	0	0	0	110.7	Y130 L160 A166 L167 E168 I461 Y464 W465 L477	Y130-I164 HydrophobicContact CD1-CB 3.92Å; Y130-I164 HydrophobicContact CD1-CD1 4.28Å; Y130-I164 HydrophobicContact CD1-CG2 3.83Å; Y130-I164 HydrophobicContact CD2-CB 4.44Å; Y130-I164 HydrophobicContact CD2-CG2 3.45Å; Y130-I164 VanDerWaalsContact CD2-CG2 3.45Å; Y130-I164 HydrophobicContact CE1-CB 4.12Å; Y130-I164 HydrophobicContact CE1-CD1 3.58Å; Y130-I164 HydrophobicContact CE1-CG1 4.4Å; Y130-I164 HydrophobicContact CE1-CG2 4.02Å; Y130-I164 HydrophobicContact CE2-CD1 4.34Å; Y130-I164 HydrophobicContact CE2-CG2 3.64Å; Y130-I164 HydrophobicContact CG-CB 4.07Å; Y130-I164 HydrophobicContact CG-CG2 3.52Å; L160-I164 HydrophobicContact CD1-CD1 3.74Å; L160-I164 HydrophobicContact CD1-CG1 4.29Å; L160-I164 HydrophobicContact CD2-CD1 4.3Å; L160-I164 HydrophobicContact CG-CD1 3.78Å; L160-I164 HydrophobicContact CG-CG1 4.4Å; L160-I164 WeakPolarHBondContact O-CB 3.4Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 2.91Å; I164-A166 VanDerWaalsContact C-N 3.28Å; I164-A166 PolarHBondContact O-N 3.46Å; I164-L167 PolarHBondContact O-N 3.45Å; I164-L167 VanDerWaalsContact O-N 3.15Å; I164-E168 HydrophobicContact CG2-CG 4.11Å; I164-E168 WeakPolarHBondContact O-CB 3.43Å; I164-E168 VanDerWaalsContact O-CG 3.29Å; I164-E168 WeakPolarHBondContact O-CG 3.25Å; I164-E168 PolarHBondContact O-N 3.38Å; I164-I461 HydrophobicContact CD1-CG2 4.49Å; I164-I461 HydrophobicContact CG1-CG2 3.81Å; I164-Y464 HydrophobicContact CD1-CD1 4.28Å; I164-Y464 HydrophobicContact CD1-CE1 4.28Å; I164-W465 HydrophobicContact CG1-CB 4.48Å; I164-L477 HydrophobicContact CG2-CD1 4.11Å
165	S	88.5	Confident	90.2	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.028	11%	0.108	C	C	.	.	H	α-helix	trans	-59.3	-40.2	176.6	-61.7	0	0	0	0	112.2	Y130 E161 Y169 L439	Y130-S165 VanDerWaalsContact CB-OG 3.29Å; Y130-S165 WeakPolarHBondContact CB-OG 3.48Å; Y130-S165 PolarHBondContact N-OG 2.95Å; E161-S165 WeakPolarHBondContact O-CB 3.43Å; E161-S165 PolarHBondContact O-N 3.48Å; E161-S165 PolarHBondContact O-OG 3.01Å; S165-Y169 WeakPolarHBondContact O-CB 3.41Å; S165-Y169 PolarHBondContact O-N 2.87Å; S165-L439 VanDerWaalsContact CB-CD2 3.42Å
166	A	88.7	Confident	89.8	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.3	-43.2	174.9	0	0	0	0	0	112.3	K162 V163 I164 Y169 L170 L426 W429 L430	K162-A166 WeakPolarHBondContact O-CB 3.3Å; K162-A166 PolarHBondContact O-N 3.27Å; V163-A166 PolarHBondContact O-N 3.01Å; I164-A166 VanDerWaalsContact C-N 3.28Å; I164-A166 PolarHBondContact O-N 3.46Å; A166-Y169 PolarHBondContact O-N 2.93Å; A166-L170 WeakPolarHBondContact O-CB 3.28Å; A166-L170 VanDerWaalsContact O-CG 3.31Å; A166-L170 WeakPolarHBondContact O-CG 3.45Å; A166-L170 PolarHBondContact O-N 3.29Å; A166-L426 HydrophobicContact CB-CD1 3.89Å; A166-W429 HydrophobicContact CB-CE3 3.54Å; A166-W429 HydrophobicContact CB-CH2 4.26Å; A166-W429 HydrophobicContact CB-CZ3 3.4Å; A166-W429 VanDerWaalsContact CB-CZ3 3.4Å; A166-L430 HydrophobicContact CB-CD2 3.99Å; A166-L430 HydrophobicContact CB-CG 4.49Å
167	L	91.9	Very high	89.3	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65	-42.1	178	-75.6	168.3	0	0	0	112.5	V163 I164 T171 V421 L426 F462 W465	V163-L167 HydrophobicContact CG1-CD1 3.97Å; V163-L167 HydrophobicContact CG1-CG 4.48Å; V163-L167 WeakPolarHBondContact O-CG 3.29Å; V163-L167 PolarHBondContact O-N 3.01Å; I164-L167 PolarHBondContact O-N 3.45Å; I164-L167 VanDerWaalsContact O-N 3.15Å; L167-T171 VanDerWaalsContact O-CB 3.24Å; L167-T171 WeakPolarHBondContact O-CB 3.48Å; L167-T171 PolarHBondContact O-N 3.17Å; L167-T171 PolarHBondContact O-OG1 3.09Å; L167-V421 HydrophobicContact CD2-CG1 3.85Å; L167-L426 HydrophobicContact CD1-CD2 4.27Å; L167-L426 HydrophobicContact CD2-CB 4.26Å; L167-L426 HydrophobicContact CD2-CD1 3.9Å; L167-L426 HydrophobicContact CD2-CD2 3.98Å; L167-L426 HydrophobicContact CD2-CG 4.24Å; L167-L426 HydrophobicContact CG-CD1 3.88Å; L167-L426 HydrophobicContact CG-CD2 4.14Å; L167-F462 HydrophobicContact CD1-CB 4.42Å; L167-F462 HydrophobicContact CD1-CD2 3.92Å; L167-F462 HydrophobicContact CD2-CD2 3.41Å; L167-F462 VanDerWaalsContact CD2-CD2 3.41Å; L167-F462 HydrophobicContact CD2-CE2 3.56Å; L167-F462 HydrophobicContact CG-CD2 4.31Å; L167-W465 HydrophobicContact CB-CD2 3.9Å; L167-W465 HydrophobicContact CB-CE3 4.31Å; L167-W465 HydrophobicContact CB-CG 4.2Å; L167-W465 HydrophobicContact CB-CZ2 4.24Å; L167-W465 HydrophobicContact CD1-CB 3.82Å; L167-W465 HydrophobicContact CD1-CD2 3.83Å; L167-W465 HydrophobicContact CD1-CE3 3.91Å; L167-W465 HydrophobicContact CD1-CG 3.78Å; L167-W465 HydrophobicContact CD2-CE3 4.24Å; L167-W465 HydrophobicContact CD2-CZ3 4.29Å; L167-W465 HydrophobicContact CG-CD2 4.34Å; L167-W465 HydrophobicContact CG-CE3 4.39Å
168	E	92.2	Very high	89	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-62.1	-45.3	174.9	-70.8	-69.7	132.3	0	0	111.2	I164 T171 Y172 W465 R469 L477 V478 W485	I164-E168 HydrophobicContact CG2-CG 4.11Å; I164-E168 WeakPolarHBondContact O-CB 3.43Å; I164-E168 VanDerWaalsContact O-CG 3.29Å; I164-E168 WeakPolarHBondContact O-CG 3.25Å; I164-E168 PolarHBondContact O-N 3.38Å; E168-T171 PolarHBondContact O-N 2.87Å; E168-Y172 VanDerWaalsContact O-CB 3.23Å; E168-Y172 WeakPolarHBondContact O-CB 3.32Å; E168-Y172 PolarHBondContact O-N 3Å; E168-W465 PolarHBondContact OE1-NE1 3.49Å; E168-R469 IonicContact OE1-CZ 3.9Å; E168-R469 VanDerWaalsContact OE1-CZ 3.31Å; E168-R469 IonicContact OE1-NE 3.03Å; E168-R469 PolarHBondContact OE1-NE 3Å; E168-R469 IonicContact OE1-NH2 2.77Å; E168-R469 PolarHBondContact OE1-NH2 2.93Å; E168-R469 VanDerWaalsContact OE1-NH2 3.11Å; E168-R469 IonicContact OE2-CZ 3.85Å; E168-R469 IonicContact OE2-NE 3.49Å; E168-R469 IonicContact OE2-NH2 3.83Å; E168-R469 PolarHBondContact OE2-NH2 3.31Å; E168-L477 HydrophobicContact CG-CB 4.29Å; E168-L477 WeakPolarHBondContact OE1-CG 3.34Å; E168-L477 PolarHBondContact OE1-N 3.49Å; E168-L477 PolarHBondContact OE2-N 3.45Å; E168-V478 HydrophobicContact CB-CG2 4.23Å; E168-V478 HydrophobicContact CG-CG2 4.05Å; E168-V478 PolarHBondContact OE2-N 3.2Å; E168-W485 HydrophobicContact CB-CH2 3.57Å; E168-W485 HydrophobicContact CB-CZ3 3.86Å
169	Y	88.3	Confident	88.8	Confident	17 Å²	17	24.5 Å²	24.5	7%	0.067	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-53.1	174.9	170.2	-100.9	0	0	0	112.3	S165 A166 T171 Y172 V173 W429 H438 W485	S165-Y169 WeakPolarHBondContact O-CB 3.41Å; S165-Y169 PolarHBondContact O-N 2.87Å; A166-Y169 PolarHBondContact O-N 2.93Å; Y169-T171 VanDerWaalsContact C-N 3.3Å; Y169-T171 PolarHBondContact O-N 3.39Å; Y169-Y172 WeakPolarHBondContact O-CB 3.28Å; Y169-Y172 PolarHBondContact O-N 3.4Å; Y169-Y172 VanDerWaalsContact O-N 3.15Å; Y169-V173 HydrophobicContact CD2-CG2 4.2Å; Y169-V173 HydrophobicContact CE1-CG2 4.18Å; Y169-V173 HydrophobicContact CE2-CG2 3.79Å; Y169-V173 WeakPolarHBondContact O-CG2 3.38Å; Y169-V173 PolarHBondContact O-N 3.46Å; Y169-W429 AromaticContact CD1-CE2 3.81Å; Y169-W429 AromaticContact CD1-CZ2 3.77Å; Y169-W429 HydrophobicContact CD1-CZ2 3.77Å; Y169-W429 AromaticContact CD1-NE1 3.76Å; Y169-W429 AromaticContact CE1-CE2 3.87Å; Y169-W429 AromaticContact CE1-CZ2 3.97Å; Y169-W429 HydrophobicContact CE1-CZ2 3.97Å; Y169-W429 AromaticContact CE1-NE1 3.41Å; Y169-H438 HydrophobicContact CE2-CB 3.9Å; Y169-W485 HydrophobicContact CD2-CB 4.22Å; Y169-W485 AromaticContact CD2-CD1 3.46Å; Y169-W485 VanDerWaalsContact CD2-CD1 3.46Å; Y169-W485 AromaticContact CD2-CD2 3.95Å; Y169-W485 HydrophobicContact CD2-CD2 3.95Å; Y169-W485 AromaticContact CD2-CG 3.63Å; Y169-W485 HydrophobicContact CD2-CG 3.63Å; Y169-W485 AromaticContact CD2-NE1 3.68Å; Y169-W485 HydrophobicContact CE2-CG 4.28Å
170	L	89.1	Confident	88	Confident	19 Å²	19	26.8 Å²	26.8	10%	0.099	12%	0.12	C	C	.	.	H	α-helix	trans	-60.4	-42.1	-179.4	-74.1	172.8	0	0	0	111.5	A166 Y172 K174 V421 L426 W429	A166-L170 WeakPolarHBondContact O-CB 3.28Å; A166-L170 VanDerWaalsContact O-CG 3.31Å; A166-L170 WeakPolarHBondContact O-CG 3.45Å; A166-L170 PolarHBondContact O-N 3.29Å; L170-Y172 VanDerWaalsContact C-N 3.35Å; L170-K174 WeakPolarHBondContact O-CB 3.45Å; L170-K174 WeakPolarHBondContact O-CG 3.47Å; L170-K174 PolarHBondContact O-N 3.39Å; L170-K174 VanDerWaalsContact O-N 3.09Å; L170-V421 HydrophobicContact CB-CG1 4.16Å; L170-V421 HydrophobicContact CB-CG2 3.96Å; L170-V421 HydrophobicContact CD1-CG1 4.18Å; L170-L426 HydrophobicContact CD1-CB 4.46Å; L170-L426 HydrophobicContact CD1-CD1 4.28Å; L170-W429 HydrophobicContact CD1-CB 4.07Å; L170-W429 HydrophobicContact CD1-CG 4.21Å; L170-W429 HydrophobicContact CD2-CB 4.32Å; L170-W429 HydrophobicContact CD2-CG 3.95Å; L170-W429 HydrophobicContact CG-CG 4.29Å
171	T	91.1	Very high	87.2	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-44.2	176.8	-55.1	0	0	0	0	110.2	L167 E168 Y169 M175 F417 V421 W465	L167-T171 VanDerWaalsContact O-CB 3.24Å; L167-T171 WeakPolarHBondContact O-CB 3.48Å; L167-T171 PolarHBondContact O-N 3.17Å; L167-T171 PolarHBondContact O-OG1 3.09Å; E168-T171 PolarHBondContact O-N 2.87Å; Y169-T171 VanDerWaalsContact C-N 3.3Å; Y169-T171 PolarHBondContact O-N 3.39Å; T171-M175 WeakPolarHBondContact O-CB 3.45Å; T171-M175 PolarHBondContact O-N 2.95Å; T171-F417 HydrophobicContact CG2-CB 4.14Å; T171-F417 HydrophobicContact CG2-CD2 4.26Å; T171-V421 VanDerWaalsContact OG1-CG2 3.27Å; T171-V421 WeakPolarHBondContact OG1-CG2 3.24Å; T171-W465 HydrophobicContact CG2-CH2 4.49Å; T171-W465 HydrophobicContact CG2-CZ2 4.41Å; T171-W465 WeakPolarHBondContact OG1-CH2 3.42Å; T171-W465 WeakPolarHBondContact OG1-CZ2 3.41Å
172	Y	88.5	Confident	86.5	Confident	58 Å²	58	28.5 Å²	28.5	23%	0.227	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-49.3	179.1	-178.4	-93.9	0	0	0	112.2	E168 Y169 L170 M175 R176 A481 W485 K486 A489	E168-Y172 VanDerWaalsContact O-CB 3.23Å; E168-Y172 WeakPolarHBondContact O-CB 3.32Å; E168-Y172 PolarHBondContact O-N 3Å; Y169-Y172 WeakPolarHBondContact O-CB 3.28Å; Y169-Y172 PolarHBondContact O-N 3.4Å; Y169-Y172 VanDerWaalsContact O-N 3.15Å; L170-Y172 VanDerWaalsContact C-N 3.35Å; Y172-M175 PolarHBondContact O-N 3.41Å; Y172-R176 WeakPolarHBondContact O-CB 3.31Å; Y172-R176 PolarHBondContact O-N 2.98Å; Y172-A481 HydrophobicContact CD2-CB 3.76Å; Y172-A481 HydrophobicContact CE2-CB 3.49Å; Y172-A481 VanDerWaalsContact CE2-CB 3.49Å; Y172-A481 HydrophobicContact CG-CB 4.4Å; Y172-W485 HydrophobicContact CD1-CB 3.76Å; Y172-W485 HydrophobicContact CD1-CE3 4.43Å; Y172-W485 HydrophobicContact CE1-CB 3.99Å; Y172-W485 HydrophobicContact CG-CE3 4.11Å; Y172-K486 HydrophobicContact CE1-CG 4.43Å; Y172-K486 WeakPolarHBondContact OH-CG 3.25Å; Y172-A489 HydrophobicContact CD1-CB 4.18Å; Y172-A489 HydrophobicContact CE1-CB 3.87Å
173	V	87.1	Confident	85.8	Confident	14 Å²	14	29 Å²	29	9%	0.085	13%	0.133	C	C	.	.	H	α-helix	trans	-60.4	-52.9	179.5	173.3	0	0	0	0	110.8	Y169 M175 R176 E177 A489 V492	Y169-V173 HydrophobicContact CD2-CG2 4.2Å; Y169-V173 HydrophobicContact CE1-CG2 4.18Å; Y169-V173 HydrophobicContact CE2-CG2 3.79Å; Y169-V173 WeakPolarHBondContact O-CG2 3.38Å; Y169-V173 PolarHBondContact O-N 3.46Å; V173-M175 PolarHBondContact O-N 2.88Å; V173-R176 WeakPolarHBondContact O-CB 3.44Å; V173-R176 PolarHBondContact O-N 3.02Å; V173-R176 VanDerWaalsContact O-N 3.15Å; V173-E177 PolarHBondContact O-N 3.42Å; V173-E177 VanDerWaalsContact O-N 3.09Å; V173-A489 HydrophobicContact CB-CB 4.45Å; V173-A489 HydrophobicContact CG2-CB 4.13Å; V173-V492 HydrophobicContact CG1-CB 4.36Å; V173-V492 HydrophobicContact CG1-CG1 4.33Å; V173-V492 HydrophobicContact CG1-CG2 4.31Å
174	K	87.4	Confident	84.6	Confident	43 Å²	43	31 Å²	31	19%	0.187	15%	0.145	C	C	.	.	H	α-helix	trans	-66.3	-36	-178.4	-69.5	-169.7	177.6	-158.3	0	113.4	L170 R176 E177 K178 L420 V421 H425	L170-K174 WeakPolarHBondContact O-CB 3.45Å; L170-K174 WeakPolarHBondContact O-CG 3.47Å; L170-K174 PolarHBondContact O-N 3.39Å; L170-K174 VanDerWaalsContact O-N 3.09Å; K174-R176 VanDerWaalsContact C-N 3.29Å; K174-R176 PolarHBondContact O-N 3.43Å; K174-E177 PolarHBondContact O-N 2.97Å; K174-K178 PolarHBondContact O-N 3.32Å; K174-L420 HydrophobicContact CB-CB 4.22Å; K174-L420 WeakPolarHBondContact CD-O 3.38Å; K174-L420 PolarHBondContact NZ-O 3.38Å; K174-V421 HydrophobicContact CD-CG2 4.46Å; K174-H425 PolarHBondContact NZ-CE1 2.99Å; K174-H425 PolarHBondContact NZ-ND1 2.96Å
175	M	88.9	Confident	83.2	Confident	32 Å²	32	35.5 Å²	35.5	16%	0.158	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-39	175.1	-172	175.6	-175.8	0	0	110.5	T171 Y172 V173 K178 I179 L413 E414 L420	T171-M175 WeakPolarHBondContact O-CB 3.45Å; T171-M175 PolarHBondContact O-N 2.95Å; Y172-M175 PolarHBondContact O-N 3.41Å; V173-M175 PolarHBondContact O-N 2.88Å; M175-K178 PolarHBondContact O-N 3.23Å; M175-I179 HydrophobicContact CG-CD1 4.12Å; M175-I179 VanDerWaalsContact O-CG1 3.22Å; M175-I179 WeakPolarHBondContact O-CG1 3.36Å; M175-I179 PolarHBondContact O-N 3.31Å; M175-L413 HydrophobicContact CG-CD2 4.13Å; M175-L413 HydrophobicContact CG-CG 4.42Å; M175-E414 HydrophobicContact CE-CB 4.44Å; M175-E414 HydrophobicContact CE-CG 3.42Å; M175-E414 VanDerWaalsContact CE-CG 3.42Å; M175-L420 HydrophobicContact CB-CD1 3.92Å; M175-L420 HydrophobicContact CG-CD1 4.34Å
176	R	85.4	Confident	81.9	Confident	59 Å²	59	37.6 Å²	37.6	22%	0.223	18%	0.181	C	C	.	.	H	α-helix	trans	-66.5	-37.6	176	-161.7	177.1	-168.8	172.5	-2.3	112.9	Y172 V173 K174 K180 K486 A489 D490	Y172-R176 WeakPolarHBondContact O-CB 3.31Å; Y172-R176 PolarHBondContact O-N 2.98Å; V173-R176 WeakPolarHBondContact O-CB 3.44Å; V173-R176 PolarHBondContact O-N 3.02Å; V173-R176 VanDerWaalsContact O-N 3.15Å; K174-R176 VanDerWaalsContact C-N 3.29Å; K174-R176 PolarHBondContact O-N 3.43Å; R176-K180 PolarHBondContact O-N 2.94Å; R176-K180 VanDerWaalsContact O-N 3.13Å; R176-K486 PolarHBondContact NH1-O 3.19Å; R176-A489 HydrophobicContact CB-CB 4.07Å; R176-A489 HydrophobicContact CG-CB 4.31Å; R176-D490 IonicContact CZ-OD1 2.7Å; R176-D490 IonicContact CZ-OD2 3.37Å; R176-D490 IonicContact NE-OD1 3.12Å; R176-D490 PolarHBondContact NE-OD1 2.89Å; R176-D490 IonicContact NH1-OD1 2.65Å; R176-D490 PolarHBondContact NH1-OD1 2.9Å; R176-D490 IonicContact NH1-OD2 3.69Å; R176-D490 PolarHBondContact NH1-OD2 2.96Å; R176-D490 IonicContact NH2-OD1 2.71Å; R176-D490 PolarHBondContact NH2-OD1 3.39Å; R176-D490 IonicContact NH2-OD2 2.91Å; R176-D490 PolarHBondContact NH2-OD2 3.01Å
177	E	82.9	Confident	80.3	Confident	42 Å²	42	44 Å²	44	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-49.6	171.6	-67.4	176.7	131.6	0	0	111.1	V173 K174 I179 K180 E181 V492	V173-E177 PolarHBondContact O-N 3.42Å; V173-E177 VanDerWaalsContact O-N 3.09Å; K174-E177 PolarHBondContact O-N 2.97Å; E177-I179 VanDerWaalsContact C-N 3.34Å; E177-I179 PolarHBondContact O-N 3.44Å; E177-K180 PolarHBondContact O-N 3.21Å; E177-K180 VanDerWaalsContact O-N 3.1Å; E177-E181 PolarHBondContact O-N 3.26Å; E177-V492 HydrophobicContact CG-CG1 4.21Å; E177-V492 WeakPolarHBondContact OE1-CG1 3.32Å
178	K	84.6	Confident	78.4	Confident	79 Å²	79	49.1 Å²	49.1	34%	0.343	24%	0.238	S	C	.	.	H	α-helix	trans	-63.5	-35.9	178.8	-71.8	-50	-172.9	-164.9	0	113.7	K174 M175 K180 E181 I182 L413 L420	K174-K178 PolarHBondContact O-N 3.32Å; M175-K178 PolarHBondContact O-N 3.23Å; K178-K180 VanDerWaalsContact C-N 3.35Å; K178-E181 WeakPolarHBondContact CD-OE2 3.43Å; K178-E181 IonicContact NZ-OE1 3.01Å; K178-E181 PolarHBondContact NZ-OE1 3.4Å; K178-E181 IonicContact NZ-OE2 2.86Å; K178-E181 PolarHBondContact NZ-OE2 3.35Å; K178-E181 PolarHBondContact O-N 2.94Å; K178-I182 VanDerWaalsContact O-CG1 3.25Å; K178-I182 WeakPolarHBondContact O-CG1 3.49Å; K178-I182 PolarHBondContact O-N 3.17Å; K178-L413 HydrophobicContact CB-CD1 3.72Å; K178-L413 HydrophobicContact CB-CD2 3.72Å; K178-L413 HydrophobicContact CB-CG 4.39Å; K178-L413 HydrophobicContact CG-CD1 4.06Å; K178-L420 HydrophobicContact CG-CD2 3.84Å
179	I	83.8	Confident	76.5	Confident	51 Å²	51	57.8 Å²	57.8	26%	0.262	28%	0.276	S	S	.	.	H	α-helix	trans	-61.5	-45.9	172.5	-69	165.8	0	0	0	109.9	M175 E177 E181 I182 D183 L410 L413	M175-I179 HydrophobicContact CG-CD1 4.12Å; M175-I179 VanDerWaalsContact O-CG1 3.22Å; M175-I179 WeakPolarHBondContact O-CG1 3.36Å; M175-I179 PolarHBondContact O-N 3.31Å; E177-I179 VanDerWaalsContact C-N 3.34Å; E177-I179 PolarHBondContact O-N 3.44Å; I179-E181 PolarHBondContact O-N 3.45Å; I179-I182 CarbonylContact O-C 3.53Å; I179-I182 WeakPolarHBondContact O-CA 3.35Å; I179-I182 WeakPolarHBondContact O-CB 3.46Å; I179-I182 PolarHBondContact O-N 3.36Å; I179-I182 VanDerWaalsContact O-N 3.14Å; I179-D183 PolarHBondContact O-N 3.5Å; I179-L410 HydrophobicContact CB-CD2 4.49Å; I179-L410 HydrophobicContact CG1-CD2 3.8Å; I179-L410 HydrophobicContact CG2-CD2 4.27Å; I179-L413 HydrophobicContact CG1-CD2 3.79Å
180	K	76.3	Confident	75	Confident	58 Å²	58	60.4 Å²	60.4	25%	0.252	29%	0.291	S	S	.	.	H	α-helix	trans	-65.6	-36.7	177.3	-74.4	175.4	177.4	179.9	0	113	R176 E177 K178 I182 D183 V184 D490 A493	R176-K180 PolarHBondContact O-N 2.94Å; R176-K180 VanDerWaalsContact O-N 3.13Å; E177-K180 PolarHBondContact O-N 3.21Å; E177-K180 VanDerWaalsContact O-N 3.1Å; K178-K180 VanDerWaalsContact C-N 3.35Å; K180-I182 VanDerWaalsContact C-N 3.34Å; K180-D183 WeakPolarHBondContact O-CB 3.35Å; K180-D183 PolarHBondContact O-N 2.87Å; K180-V184 WeakPolarHBondContact O-CG2 3.48Å; K180-V184 PolarHBondContact O-N 2.83Å; K180-D490 IonicContact NZ-OD1 2.74Å; K180-D490 PolarHBondContact NZ-OD1 2.97Å; K180-A493 HydrophobicContact CD-CB 3.37Å
181	E	75.7	Confident	73.5	Confident	63 Å²	63	68 Å²	68	29%	0.294	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-43.4	170.4	-72	177.1	-157.8	0	0	111.3	E177 K178 I179 D183 V184 Q185 L500	E177-E181 PolarHBondContact O-N 3.26Å; K178-E181 WeakPolarHBondContact CD-OE2 3.43Å; K178-E181 IonicContact NZ-OE1 3.01Å; K178-E181 PolarHBondContact NZ-OE1 3.4Å; K178-E181 IonicContact NZ-OE2 2.86Å; K178-E181 PolarHBondContact NZ-OE2 3.35Å; K178-E181 PolarHBondContact O-N 2.94Å; I179-E181 PolarHBondContact O-N 3.45Å; E181-D183 VanDerWaalsContact C-N 3.32Å; E181-D183 PolarHBondContact O-N 2.82Å; E181-V184 PolarHBondContact O-N 2.7Å; E181-Q185 WeakPolarHBondContact O-CB 3.33Å; E181-Q185 WeakPolarHBondContact O-CG 3.47Å; E181-Q185 PolarHBondContact O-N 3.17Å; E181-L500 HydrophobicContact CG-CD1 4.4Å
182	I	76	Confident	72.2	Confident	17 Å²	17	72.1 Å²	72.1	9%	0.087	35%	0.348	C	S	.	.	H	α-helix	trans	-64.4	-36.8	174.7	-68	163.8	0	0	0	110.8	K178 I179 K180 S186 R406 R409 L410 L413	K178-I182 VanDerWaalsContact O-CG1 3.25Å; K178-I182 WeakPolarHBondContact O-CG1 3.49Å; K178-I182 PolarHBondContact O-N 3.17Å; I179-I182 CarbonylContact O-C 3.53Å; I179-I182 WeakPolarHBondContact O-CA 3.35Å; I179-I182 WeakPolarHBondContact O-CB 3.46Å; I179-I182 PolarHBondContact O-N 3.36Å; I179-I182 VanDerWaalsContact O-N 3.14Å; K180-I182 VanDerWaalsContact C-N 3.34Å; I182-S186 WeakPolarHBondContact O-CB 3.42Å; I182-S186 PolarHBondContact O-N 2.88Å; I182-R406 HydrophobicContact CG2-CG 4.02Å; I182-R409 HydrophobicContact CD1-CB 4.08Å; I182-R409 HydrophobicContact CG2-CB 4.31Å; I182-L410 HydrophobicContact CD1-CD2 4.44Å; I182-L413 HydrophobicContact CD1-CD2 4.1Å
183	D	71	Confident	71.4	Confident	52 Å²	52	69.9 Å²	69.9	28%	0.278	34%	0.342	S	S	.	.	H	α-helix	trans	-58.9	-51	173.3	-59.6	-9	0	0	0	110.3	I179 K180 E181 S186 L187 R406	I179-D183 PolarHBondContact O-N 3.5Å; K180-D183 WeakPolarHBondContact O-CB 3.35Å; K180-D183 PolarHBondContact O-N 2.87Å; E181-D183 VanDerWaalsContact C-N 3.32Å; E181-D183 PolarHBondContact O-N 2.82Å; D183-S186 CarbonylContact O-C 3.5Å; D183-S186 PolarHBondContact O-N 3.24Å; D183-S186 VanDerWaalsContact O-N 3.15Å; D183-L187 WeakPolarHBondContact O-CG 3.48Å; D183-L187 PolarHBondContact O-N 3.34Å; D183-R406 IonicContact OD1-CZ 2.63Å; D183-R406 IonicContact OD1-NH1 3.61Å; D183-R406 PolarHBondContact OD1-NH1 2.92Å; D183-R406 IonicContact OD1-NH2 3.82Å; D183-R406 PolarHBondContact OD1-NH2 2.84Å
184	V	67.7	Low	70.9	Confident	41 Å²	41	74.2 Å²	74.2	25%	0.248	36%	0.357	C	S	.	.	H	α-helix	trans	-63.7	-44.4	179.4	175.5	0	0	0	0	111.6	K180 E181 S186 L187 E188	K180-V184 WeakPolarHBondContact O-CG2 3.48Å; K180-V184 PolarHBondContact O-N 2.83Å; E181-V184 PolarHBondContact O-N 2.7Å; V184-S186 PolarHBondContact O-N 3.06Å; V184-L187 WeakPolarHBondContact O-CA 3.42Å; V184-L187 WeakPolarHBondContact O-CB 3.41Å; V184-L187 PolarHBondContact O-N 3.45Å; V184-E188 PolarHBondContact O-N 3.38Å
185	Q	62.9	Low	70.8	Confident	95 Å²	95	72.2 Å²	72.2	44%	0.444	35%	0.348	S	S	.	.	H	α-helix	trans	-68.3	-24.1	175.2	-72.5	177.6	-2	0	0	113.4	E181 L187	E181-Q185 WeakPolarHBondContact O-CB 3.33Å; E181-Q185 WeakPolarHBondContact O-CG 3.47Å; E181-Q185 PolarHBondContact O-N 3.17Å; Q185-L187 VanDerWaalsContact C-N 3.33Å
186	S	61	Low	70.7	Confident	48 Å²	48	73.8 Å²	73.8	34%	0.336	36%	0.357	S	S	.	.	H	α-helix	trans	-82.3	-16.9	173	-168.3	0	0	0	0	111.7	I182 D183 V184	I182-S186 WeakPolarHBondContact O-CB 3.42Å; I182-S186 PolarHBondContact O-N 2.88Å; D183-S186 CarbonylContact O-C 3.5Å; D183-S186 PolarHBondContact O-N 3.24Å; D183-S186 VanDerWaalsContact O-N 3.15Å; V184-S186 PolarHBondContact O-N 3.06Å
187	L	53.4	Low	70.7	Confident	134 Å²	134	71.2 Å²	71.2	70%	0.702	35%	0.347	S	S	*	.	H	α-helix	trans	-81.4	-27.4	168.3	-70.5	169.4	0	0	0	111.8	D183 V184 Q185 F189	D183-L187 WeakPolarHBondContact O-CG 3.48Å; D183-L187 PolarHBondContact O-N 3.34Å; V184-L187 WeakPolarHBondContact O-CA 3.42Å; V184-L187 WeakPolarHBondContact O-CB 3.41Å; V184-L187 PolarHBondContact O-N 3.45Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; L187-F189 PolarHBondContact O-N 2.95Å
188	E	52.7	Low	70.6	Confident	108 Å²	108	71.9 Å²	71.9	51%	0.505	36%	0.356	S	S	.	.	S	Bend	trans	-58.4	110.5	162.2	-64.3	-171.8	160	0	0	106.8	V184 D190	V184-E188 PolarHBondContact O-N 3.38Å; E188-D190 PolarHBondContact O-N 3.25Å
189	F	52.6	Low	70.3	Confident	183 Å²	183	70.4 Å²	70.4	80%	0.803	35%	0.352	S	S	*	.			trans	-44.6	109.6	-177.8	-74.3	-94.4	0	0	0	108.9	L187 E191	L187-F189 PolarHBondContact O-N 2.95Å; F189-E191 VanDerWaalsContact C-N 3.3Å; F189-E191 PolarHBondContact O-N 2.9Å
190	D	56.5	Low	69.9	Low	72 Å²	72	69.7 Å²	69.7	39%	0.385	35%	0.351	S	S	.	.			trans	-63.1	102.8	168.4	179.2	6	0	0	0	105.2	E188 N192 A193	E188-D190 PolarHBondContact O-N 3.25Å; D190-N192 PolarHBondContact O-N 3.43Å; D190-N192 WeakPolarHBondContact OD1-CA 3.46Å; D190-N192 VanDerWaalsContact OD1-CB 3.31Å; D190-N192 WeakPolarHBondContact OD1-CB 3.39Å; D190-N192 PolarHBondContact OD1-N 2.92Å; D190-N192 PolarHBondContact OD1-ND2 3.41Å; D190-A193 HydrophobicContact CB-CB 4.1Å; D190-A193 WeakPolarHBondContact O-CB 3.44Å; D190-A193 PolarHBondContact O-N 3.3Å
191	E	58	Low	69.8	Low	178 Å²	178	72 Å²	72	83%	0.832	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-14.5	177.9	-64.1	-168.3	169.3	0	0	111.2	F189	F189-E191 VanDerWaalsContact C-N 3.3Å; F189-E191 PolarHBondContact O-N 2.9Å
192	N	63.1	Low	69.6	Low	88 Å²	88	75.8 Å²	75.8	47%	0.471	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	10.8	173.5	-45.8	-67.8	0	0	0	112.9	D190 R194 F201	D190-N192 PolarHBondContact O-N 3.43Å; D190-N192 WeakPolarHBondContact OD1-CA 3.46Å; D190-N192 VanDerWaalsContact OD1-CB 3.31Å; D190-N192 WeakPolarHBondContact OD1-CB 3.39Å; D190-N192 PolarHBondContact OD1-N 2.92Å; D190-N192 PolarHBondContact OD1-ND2 3.41Å; N192-R194 PolarHBondContact O-N 3.17Å; N192-F201 HydrophobicContact CB-CE1 4.36Å; N192-F201 WeakPolarHBondContact O-CD1 3.45Å; N192-F201 WeakPolarHBondContact O-CE1 3.1Å
193	A	71.4	Confident	69.2	Low	10 Å²	10	77.3 Å²	77.3	8%	0.083	40%	0.399	C	S	.	.			trans	-68.1	128.4	169.5	0	0	0	0	0	109.4	D190 L209 F211	D190-A193 HydrophobicContact CB-CB 4.1Å; D190-A193 WeakPolarHBondContact O-CB 3.44Å; D190-A193 PolarHBondContact O-N 3.3Å; A193-L209 HydrophobicContact CB-CD1 4.5Å; A193-L209 WeakPolarHBondContact O-CD1 3.41Å; A193-F211 HydrophobicContact CB-CE1 3.99Å; A193-F211 HydrophobicContact CB-CZ 3.52Å
194	R	78.5	Confident	69.2	Low	106 Å²	106	81.4 Å²	81.4	40%	0.4	42%	0.416	S	S	.	.			trans	-123.6	151.3	175.3	64.7	-176.7	-178.9	-172.7	-1.2	109.6	N192 D196 S200 F201	N192-R194 PolarHBondContact O-N 3.17Å; R194-D196 PolarHBondContact O-N 3.41Å; R194-S200 VanDerWaalsContact CA-O 3.31Å; R194-S200 WeakPolarHBondContact CA-O 3.21Å; R194-F201 HydrophobicContact CB-CD1 3.77Å; R194-F201 HydrophobicContact CB-CD2 4.29Å; R194-F201 HydrophobicContact CB-CE1 3.83Å; R194-F201 HydrophobicContact CB-CE2 4.32Å; R194-F201 HydrophobicContact CB-CG 4.02Å; R194-F201 HydrophobicContact CB-CZ 4.11Å; R194-F201 HydrophobicContact CG-CE1 4.34Å; R194-F201 HydrophobicContact CG-CZ 4.47Å
195	C	85.1	Confident	69.5	Low	0 Å²	0	87.2 Å²	87.2	0%	0	45%	0.446	C	S	.	.			trans	-66.9	126.8	173.3	170.1	0	0	0	0	110.9	I197 C198 L199 S200 L209 C218 H220	C195-I197 PolarHBondContact O-N 3.24Å; C195-I197 PolarHBondContact SG-N 3.33Å; C195-I197 VanDerWaalsContact SG-N 3.45Å; C195-C198 VanDerWaalsContact CB-SG 3.56Å; C195-C198 VanDerWaalsContact SG-SG 3.65Å; C195-L199 WeakPolarHBondContact O-CA 3.47Å; C195-L199 PolarHBondContact O-N 3.49Å; C195-S200 PolarHBondContact N-O 3.48Å; C195-L209 HydrophobicContact CB-CD2 3.78Å; C195-C218 CarbonylContact C-O 3.58Å; C195-C218 WeakPolarHBondContact CA-O 2.98Å; C195-H220 WeakPolarHBondContact CB-CE1 3.5Å; C195-H220 WeakPolarHBondContact CB-ND1 3.45Å; C195-H220 PolarHBondContact SG-N 3.31Å; C195-H220 PolarHBondContact SG-ND1 2.92Å; C195-H220 VanDerWaalsContact SG-ND1 3.39Å
196	D	85.2	Confident	70.2	Confident	65 Å²	65	85.5 Å²	85.5	35%	0.348	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-7.6	179.7	-75.4	-47.6	0	0	0	113.9	R194 L217 C218	R194-D196 PolarHBondContact O-N 3.41Å; D196-L217 HydrophobicContact CB-CD1 3.95Å; D196-L217 WeakPolarHBondContact OD2-CD1 3.42Å; D196-C218 PolarHBondContact N-O 3.36Å; D196-C218 PolarHBondContact OD2-N 2.89Å
197	I	85.7	Confident	71.1	Confident	5 Å²	5	85.2 Å²	85.2	3%	0.026	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-52.9	-178.5	-59.3	170	0	0	0	111.2	C195 V219 C223 Y224 A258 V271	C195-I197 PolarHBondContact O-N 3.24Å; C195-I197 PolarHBondContact SG-N 3.33Å; C195-I197 VanDerWaalsContact SG-N 3.45Å; I197-V219 HydrophobicContact CD1-CB 4.25Å; I197-V219 HydrophobicContact CD1-CG1 3.65Å; I197-V219 HydrophobicContact CG1-CG1 4Å; I197-C223 HydrophobicContact CB-CB 4.08Å; I197-C223 HydrophobicContact CD1-CB 4.07Å; I197-C223 WeakPolarHBondContact CD1-O 3.23Å; I197-C223 HydrophobicContact CG2-CB 4.19Å; I197-Y224 HydrophobicContact CD1-CD2 4.02Å; I197-A258 HydrophobicContact CD1-CB 3.69Å; I197-A258 HydrophobicContact CG1-CB 3.53Å; I197-V271 HydrophobicContact CD1-CB 4.04Å; I197-V271 HydrophobicContact CD1-CG1 4.07Å; I197-V271 HydrophobicContact CD1-CG2 4.42Å; I197-V271 HydrophobicContact CG1-CB 4.37Å; I197-V271 HydrophobicContact CG2-CG1 4.21Å
198	C	81.6	Confident	72.5	Confident	56 Å²	56	83.6 Å²	83.6	38%	0.378	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-12	-177.9	74.9	0	0	0	0	113.7	C195 S200 H220	C195-C198 VanDerWaalsContact CB-SG 3.56Å; C195-C198 VanDerWaalsContact SG-SG 3.65Å; C198-S200 PolarHBondContact O-N 3.44Å; C198-S200 PolarHBondContact SG-N 2.87Å; C198-S200 VanDerWaalsContact SG-N 3.39Å; C198-H220 PolarHBondContact SG-CE1 2.96Å; C198-H220 PolarHBondContact SG-ND1 3.07Å
199	L	77.5	Confident	73.9	Confident	48 Å²	48	80.3 Å²	80.3	25%	0.251	42%	0.423	S	S	.	.			trans	61.8	12.3	-176.8	-50.4	179.1	0	0	0	115.3	C195 F334	C195-L199 WeakPolarHBondContact O-CA 3.47Å; C195-L199 PolarHBondContact O-N 3.49Å; L199-F334 HydrophobicContact CD1-CB 3.91Å; L199-F334 HydrophobicContact CD1-CD1 3.41Å; L199-F334 VanDerWaalsContact CD1-CD1 3.41Å; L199-F334 HydrophobicContact CD1-CD2 4.39Å; L199-F334 HydrophobicContact CD1-CE1 3.93Å; L199-F334 HydrophobicContact CD1-CG 3.68Å; L199-F334 HydrophobicContact CG-CD1 4.44Å
200	S	76.5	Confident	75.4	Confident	37 Å²	37	72.1 Å²	72.1	26%	0.259	39%	0.388	S	S	.	.			trans	-82.6	146	172.1	-177.2	0	0	0	0	111.3	R194 C195 C198 E202	R194-S200 VanDerWaalsContact CA-O 3.31Å; R194-S200 WeakPolarHBondContact CA-O 3.21Å; C195-S200 PolarHBondContact N-O 3.48Å; C198-S200 PolarHBondContact O-N 3.44Å; C198-S200 PolarHBondContact SG-N 2.87Å; C198-S200 VanDerWaalsContact SG-N 3.39Å; S200-E202 PolarHBondContact OG-N 2.86Å; S200-E202 VanDerWaalsContact OG-N 3.16Å
201	F	73.9	Confident	76.7	Confident	105 Å²	105	72.2 Å²	72.2	46%	0.461	39%	0.385	S	S	.	.			trans	-90.7	-12.5	174.9	-58.8	-97.9	0	0	0	112	N192 R194 G203	N192-F201 HydrophobicContact CB-CE1 4.36Å; N192-F201 WeakPolarHBondContact O-CD1 3.45Å; N192-F201 WeakPolarHBondContact O-CE1 3.1Å; R194-F201 HydrophobicContact CB-CD1 3.77Å; R194-F201 HydrophobicContact CB-CD2 4.29Å; R194-F201 HydrophobicContact CB-CE1 3.83Å; R194-F201 HydrophobicContact CB-CE2 4.32Å; R194-F201 HydrophobicContact CB-CG 4.02Å; R194-F201 HydrophobicContact CB-CZ 4.11Å; R194-F201 HydrophobicContact CG-CE1 4.34Å; R194-F201 HydrophobicContact CG-CZ 4.47Å; F201-G203 PolarHBondContact O-N 3.48Å
202	E	71.7	Confident	77.9	Confident	144 Å²	144	63.7 Å²	63.7	67%	0.673	35%	0.345	S	S	*	.			trans	-81.7	118.8	-171.6	-63.2	173.9	164.5	0	0	110.7	S200 H220	S200-E202 PolarHBondContact OG-N 2.86Å; S200-E202 VanDerWaalsContact OG-N 3.16Å; E202-H220 PolarHBondContact O-NE2 2.7Å
203	G	66.8	Low	78.6	Confident	48 Å²	48	63.5 Å²	63.5	50%	0.495	34%	0.344	S	S	.	.			trans	-100.2	131.8	165.8	0	0	0	0	0	110.2	F201	F201-G203 PolarHBondContact O-N 3.48Å
204	E	70.9	Confident	78.7	Confident	138 Å²	138	65.2 Å²	65.2	65%	0.645	36%	0.363	S	S	*	.	B	Isolated β-bridge	trans	-106	156.5	173.6	-67	-179.7	176.2	0	0	109.9	G206 N207 E208	E204-G206 PolarHBondContact O-N 3.44Å; E204-G206 VanDerWaalsContact O-N 3.17Å; E204-N207 CarbonylContact O-C 3.56Å; E204-N207 WeakPolarHBondContact O-CA 3.45Å; E204-N207 PolarHBondContact O-N 2.65Å; E204-E208 PolarHBondContact O-N 3.16Å
205	D	74.4	Confident	78.5	Confident	164 Å²	164	63.2 Å²	63.2	88%	0.877	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	120.1	175.6	-70.2	-15.7	0	0	0	110.2	N207	D205-N207 VanDerWaalsContact C-N 3.31Å
206	G	77.5	Confident	78.1	Confident	58 Å²	58	66.4 Å²	66.4	60%	0.598	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	0.6	-175.4	0	0	0	0	0	115.4	E204 Q221	E204-G206 PolarHBondContact O-N 3.44Å; E204-G206 VanDerWaalsContact O-N 3.17Å; G206-Q221 PolarHBondContact O-OE1 2.82Å; G206-Q221 VanDerWaalsContact O-OE1 3.06Å
207	N	80.5	Confident	78	Confident	42 Å²	42	63.7 Å²	63.7	23%	0.225	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-135.7	49.9	167.8	-170.9	34.7	0	0	0	110.5	E204 D205 H220 A222	E204-N207 CarbonylContact O-C 3.56Å; E204-N207 WeakPolarHBondContact O-CA 3.45Å; E204-N207 PolarHBondContact O-N 2.65Å; D205-N207 VanDerWaalsContact C-N 3.31Å; N207-H220 PolarHBondContact O-CD2 2.97Å; N207-H220 WeakPolarHBondContact OD1-CB 3.27Å; N207-A222 WeakPolarHBondContact OD1-CB 3.33Å; N207-A222 PolarHBondContact OD1-N 3.26Å
208	E	81.3	Confident	78.1	Confident	101 Å²	101	63.8 Å²	63.8	47%	0.472	37%	0.365	S	S	.	.			trans	-70	159.8	-175.2	-63.2	176	-172	0	0	111.8	E204 H220 Q221 I229	E204-E208 PolarHBondContact O-N 3.16Å; E208-H220 WeakPolarHBondContact O-CA 3.12Å; E208-Q221 PolarHBondContact O-N 2.85Å; E208-I229 HydrophobicContact CB-CD1 4.46Å
209	L	82.9	Confident	78.3	Confident	38 Å²	38	61.1 Å²	61.1	20%	0.199	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	122.3	171.6	-74.4	171.9	0	0	0	109.9	A193 C195 H220	A193-L209 HydrophobicContact CB-CD1 4.5Å; A193-L209 WeakPolarHBondContact O-CD1 3.41Å; C195-L209 HydrophobicContact CB-CD2 3.78Å; L209-H220 VanDerWaalsContact CD2-CD2 3.41Å; L209-H220 WeakPolarHBondContact CD2-CD2 3.03Å; L209-H220 WeakPolarHBondContact CD2-NE2 3.44Å
210	V	85	Confident	78.8	Confident	12 Å²	12	59.1 Å²	59.1	7%	0.073	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.5	-178.8	-169	0	0	0	0	109.5	C218 V219 Q221 I226 I229 W234	V210-C218 WeakPolarHBondContact O-CA 3.41Å; V210-V219 PolarHBondContact N-O 3.23Å; V210-V219 PolarHBondContact O-N 3.35Å; V210-Q221 HydrophobicContact CG2-CB 4.33Å; V210-I226 HydrophobicContact CB-CD1 4.18Å; V210-I226 HydrophobicContact CG1-CD1 4.27Å; V210-I226 HydrophobicContact CG2-CD1 4.22Å; V210-I229 HydrophobicContact CG2-CD1 3.8Å; V210-I229 HydrophobicContact CG2-CG1 4.07Å; V210-W234 HydrophobicContact CB-CE3 4.41Å; V210-W234 HydrophobicContact CG1-CB 4.2Å; V210-W234 HydrophobicContact CG1-CD2 3.77Å; V210-W234 HydrophobicContact CG1-CE3 3.55Å; V210-W234 HydrophobicContact CG1-CG 4.04Å; V210-W234 HydrophobicContact CG1-CZ3 4.19Å
211	F	83.1	Confident	79.4	Confident	73 Å²	73	58.6 Å²	58.6	32%	0.32	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.4	178.9	-64	-93.1	0	0	0	111.6	A193 L217 C218	A193-F211 HydrophobicContact CB-CE1 3.99Å; A193-F211 HydrophobicContact CB-CZ 3.52Å; F211-L217 CarbonylContact C-O 3.43Å; F211-L217 WeakPolarHBondContact CA-O 3.48Å; F211-C218 HydrophobicContact CD1-CB 3.74Å; F211-C218 HydrophobicContact CE1-CB 3.6Å; F211-C218 VanDerWaalsContact CE1-SG 3.51Å; F211-C218 HydrophobicContact CZ-CB 4.38Å
212	C	83.4	Confident	80.1	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	33%	0.329	C	S	.	.			trans	-74.5	124	173.5	174.4	0	0	0	0	110.7	G214 C215 F216 L217 W234 C236 C239	C212-G214 PolarHBondContact O-N 3.31Å; C212-G214 PolarHBondContact SG-N 3.26Å; C212-G214 VanDerWaalsContact SG-N 3.45Å; C212-C215 PolarHBondContact SG-N 3Å; C212-F216 WeakPolarHBondContact O-CA 3.49Å; C212-F216 PolarHBondContact O-N 3.13Å; C212-L217 HydrophobicContact CB-CB 3.93Å; C212-L217 PolarHBondContact N-O 3.46Å; C212-W234 WeakPolarHBondContact CA-O 3.46Å; C212-W234 HydrophobicContact CB-CE3 3.99Å; C212-W234 HydrophobicContact CB-CH2 4.45Å; C212-W234 HydrophobicContact CB-CZ3 3.64Å; C212-C236 HydrophobicContact CB-CB 4.22Å; C212-C236 PolarHBondContact SG-N 2.82Å; C212-C239 VanDerWaalsContact SG-SG 3.65Å
213	D	77.4	Confident	81	Confident	84 Å²	84	50.5 Å²	50.5	45%	0.449	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.9	179.6	-68.7	-55.5	0	0	0	113.9	F216 S233 W234	D213-F216 WeakPolarHBondContact O-CZ 3.01Å; D213-S233 VanDerWaalsContact OD2-C 3.28Å; D213-S233 WeakPolarHBondContact OD2-CA 3.46Å; D213-S233 WeakPolarHBondContact OD2-CB 3.46Å; D213-W234 PolarHBondContact N-O 3.46Å; D213-W234 PolarHBondContact OD2-N 3.36Å
214	G	73.9	Confident	82.3	Confident	46 Å²	46	48.3 Å²	48.3	47%	0.474	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-51.8	178.5	0	0	0	0	0	113.6	C212	C212-G214 PolarHBondContact O-N 3.31Å; C212-G214 PolarHBondContact SG-N 3.26Å; C212-G214 VanDerWaalsContact SG-N 3.45Å
215	C	75	Confident	83.3	Confident	64 Å²	64	42 Å²	42	43%	0.432	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-1.4	-172.3	68.7	0	0	0	0	115.2	C212 L217 C239	C212-C215 PolarHBondContact SG-N 3Å; C215-L217 PolarHBondContact O-N 3.42Å; C215-L217 VanDerWaalsContact SG-CB 3.56Å; C215-C239 VanDerWaalsContact SG-SG 3.68Å
216	F	76.9	Confident	84.1	Confident	67 Å²	67	35 Å²	35	29%	0.294	22%	0.215	S	C	.	.			trans	59.2	24.6	-177.9	-56.7	-78.9	0	0	0	114.5	C212 D213 C218 R406	C212-F216 WeakPolarHBondContact O-CA 3.49Å; C212-F216 PolarHBondContact O-N 3.13Å; D213-F216 WeakPolarHBondContact O-CZ 3.01Å; F216-C218 PolarHBondContact O-N 3.37Å; F216-R406 VanDerWaalsContact CD1-CD 3.46Å
217	L	83.1	Confident	84.5	Confident	8 Å²	8	36.8 Å²	36.8	4%	0.042	21%	0.211	C	C	.	.			trans	-56.8	125.2	166.7	-179.3	77.9	0	0	0	109.2	D196 F211 C212 C215 V219 Y224 C236 G257 A258	D196-L217 HydrophobicContact CB-CD1 3.95Å; D196-L217 WeakPolarHBondContact OD2-CD1 3.42Å; F211-L217 CarbonylContact C-O 3.43Å; F211-L217 WeakPolarHBondContact CA-O 3.48Å; C212-L217 HydrophobicContact CB-CB 3.93Å; C212-L217 PolarHBondContact N-O 3.46Å; C215-L217 PolarHBondContact O-N 3.42Å; C215-L217 VanDerWaalsContact SG-CB 3.56Å; L217-V219 HydrophobicContact CD2-CG1 4.01Å; L217-V219 HydrophobicContact CG-CG1 3.98Å; L217-Y224 HydrophobicContact CD2-CE2 4.35Å; L217-C236 HydrophobicContact CD2-CB 3.9Å; L217-G257 VanDerWaalsContact CD1-C 3.4Å; L217-A258 HydrophobicContact CD1-CB 3.88Å; L217-A258 HydrophobicContact CD2-CB 3.78Å; L217-A258 HydrophobicContact CG-CB 4.31Å
218	C	86.1	Confident	84.8	Confident	7 Å²	7	42.6 Å²	42.6	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.6	177.6	-176	0	0	0	0	109.2	C195 D196 V210 F211 F216	C195-C218 CarbonylContact C-O 3.58Å; C195-C218 WeakPolarHBondContact CA-O 2.98Å; D196-C218 PolarHBondContact N-O 3.36Å; D196-C218 PolarHBondContact OD2-N 2.89Å; V210-C218 WeakPolarHBondContact O-CA 3.41Å; F211-C218 HydrophobicContact CD1-CB 3.74Å; F211-C218 HydrophobicContact CE1-CB 3.6Å; F211-C218 VanDerWaalsContact CE1-SG 3.51Å; F211-C218 HydrophobicContact CZ-CB 4.38Å; F216-C218 PolarHBondContact O-N 3.37Å
219	V	87.5	Confident	84.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	148.7	-178.6	-69.4	0	0	0	0	109.9	I197 V210 L217 Y224 I226 W234 A258	I197-V219 HydrophobicContact CD1-CB 4.25Å; I197-V219 HydrophobicContact CD1-CG1 3.65Å; I197-V219 HydrophobicContact CG1-CG1 4Å; V210-V219 PolarHBondContact N-O 3.23Å; V210-V219 PolarHBondContact O-N 3.35Å; L217-V219 HydrophobicContact CD2-CG1 4.01Å; L217-V219 HydrophobicContact CG-CG1 3.98Å; V219-Y224 HydrophobicContact CG1-CD2 4.31Å; V219-Y224 HydrophobicContact CG2-CG 4.08Å; V219-I226 HydrophobicContact CG2-CD1 4.43Å; V219-W234 HydrophobicContact CG2-CH2 3.64Å; V219-W234 HydrophobicContact CG2-CZ2 4.48Å; V219-W234 HydrophobicContact CG2-CZ3 4.07Å; V219-A258 HydrophobicContact CG1-CB 3.97Å
220	H	87.4	Confident	84.7	Confident	6 Å²	6	41.7 Å²	41.7	3%	0.028	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	144.8	162.4	-63.6	110	0	0	0	110.2	C195 C198 E202 N207 E208 L209 A222 C223 Y224	C195-H220 WeakPolarHBondContact CB-CE1 3.5Å; C195-H220 WeakPolarHBondContact CB-ND1 3.45Å; C195-H220 PolarHBondContact SG-N 3.31Å; C195-H220 PolarHBondContact SG-ND1 2.92Å; C195-H220 VanDerWaalsContact SG-ND1 3.39Å; C198-H220 PolarHBondContact SG-CE1 2.96Å; C198-H220 PolarHBondContact SG-ND1 3.07Å; E202-H220 PolarHBondContact O-NE2 2.7Å; N207-H220 PolarHBondContact O-CD2 2.97Å; N207-H220 WeakPolarHBondContact OD1-CB 3.27Å; E208-H220 WeakPolarHBondContact O-CA 3.12Å; L209-H220 VanDerWaalsContact CD2-CD2 3.41Å; L209-H220 WeakPolarHBondContact CD2-CD2 3.03Å; L209-H220 WeakPolarHBondContact CD2-NE2 3.44Å; H220-A222 VanDerWaalsContact C-N 3.31Å; H220-A222 PolarHBondContact O-N 3.45Å; H220-C223 HydrophobicContact CB-CB 3.81Å; H220-C223 PolarHBondContact O-N 2.99Å; H220-C223 VanDerWaalsContact O-N 3.08Å; H220-Y224 PolarHBondContact O-N 3.36Å; H220-Y224 VanDerWaalsContact O-N 3.12Å
221	Q	89.5	Confident	84.3	Confident	26 Å²	26	51.4 Å²	51.4	12%	0.121	28%	0.283	C	S	.	.	H	α-helix	trans	-45.5	-55.2	174	-178	-177.9	-9.2	0	0	111.4	G206 E208 V210 G225 I226 L227 I229	G206-Q221 PolarHBondContact O-OE1 2.82Å; G206-Q221 VanDerWaalsContact O-OE1 3.06Å; E208-Q221 PolarHBondContact O-N 2.85Å; V210-Q221 HydrophobicContact CG2-CB 4.33Å; Q221-G225 PolarHBondContact O-N 3.02Å; Q221-I226 HydrophobicContact CG-CB 3.87Å; Q221-I226 HydrophobicContact CG-CG2 4.25Å; Q221-I226 WeakPolarHBondContact CG-O 3.4Å; Q221-I226 PolarHBondContact NE2-O 3.45Å; Q221-I226 PolarHBondContact O-N 3.38Å; Q221-L227 PolarHBondContact NE2-O 3.02Å; Q221-I229 HydrophobicContact CG-CD1 4.46Å; Q221-I229 HydrophobicContact CG-CG1 4.16Å
222	A	87.9	Confident	84.1	Confident	54 Å²	54	50.6 Å²	50.6	45%	0.446	29%	0.294	S	S	.	.	H	α-helix	trans	-71.8	-34.4	-180	0	0	0	0	0	112.8	N207 H220 Y224 G225 M288	N207-A222 WeakPolarHBondContact OD1-CB 3.33Å; N207-A222 PolarHBondContact OD1-N 3.26Å; H220-A222 VanDerWaalsContact C-N 3.31Å; H220-A222 PolarHBondContact O-N 3.45Å; A222-Y224 PolarHBondContact O-N 2.86Å; A222-G225 PolarHBondContact O-N 3.26Å; A222-G225 VanDerWaalsContact O-N 3.13Å; A222-M288 VanDerWaalsContact O-CE 3.27Å; A222-M288 WeakPolarHBondContact O-CE 3.43Å
223	C	90.5	Very high	83.8	Confident	24 Å²	24	54.7 Å²	54.7	16%	0.162	32%	0.323	C	S	.	.	H	α-helix	trans	-65.7	-24.9	-179.7	-71.2	0	0	0	0	113.5	I197 H220	I197-C223 HydrophobicContact CB-CB 4.08Å; I197-C223 HydrophobicContact CD1-CB 4.07Å; I197-C223 WeakPolarHBondContact CD1-O 3.23Å; I197-C223 HydrophobicContact CG2-CB 4.19Å; H220-C223 HydrophobicContact CB-CB 3.81Å; H220-C223 PolarHBondContact O-N 2.99Å; H220-C223 VanDerWaalsContact O-N 3.08Å
224	Y	94.4	Very high	84.2	Confident	3 Å²	3	51.7 Å²	51.7	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-100.2	-8.1	173.7	-166.4	-102.8	0	0	0	113.3	I197 L217 V219 H220 A222 I226 W234 R237 A258 M259 K260 V271	I197-Y224 HydrophobicContact CD1-CD2 4.02Å; L217-Y224 HydrophobicContact CD2-CE2 4.35Å; V219-Y224 HydrophobicContact CG1-CD2 4.31Å; V219-Y224 HydrophobicContact CG2-CG 4.08Å; H220-Y224 PolarHBondContact O-N 3.36Å; H220-Y224 VanDerWaalsContact O-N 3.12Å; A222-Y224 PolarHBondContact O-N 2.86Å; Y224-I226 HydrophobicContact CD1-CD1 4.28Å; Y224-I226 HydrophobicContact CD1-CG1 3.91Å; Y224-W234 HydrophobicContact CD1-CH2 4.08Å; Y224-W234 AromaticContact CD1-CZ2 3.54Å; Y224-W234 HydrophobicContact CD1-CZ2 3.54Å; Y224-W234 HydrophobicContact CE1-CH2 4.2Å; Y224-W234 AromaticContact CE1-CZ2 3.6Å; Y224-W234 HydrophobicContact CE1-CZ2 3.6Å; Y224-W234 HydrophobicContact CG-CH2 4.48Å; Y224-W234 HydrophobicContact CG-CZ2 4.34Å; Y224-R237 HydrophobicContact CE1-CG 4.36Å; Y224-R237 WeakPolarHBondContact OH-CB 3.41Å; Y224-R237 WeakPolarHBondContact OH-CG 3.45Å; Y224-R237 PolarHBondContact OH-N 3.35Å; Y224-A258 HydrophobicContact CD2-CB 4.12Å; Y224-A258 HydrophobicContact CE2-CB 4.19Å; Y224-M259 PolarHBondContact OH-O 3.16Å; Y224-M259 VanDerWaalsContact OH-O 3.07Å; Y224-K260 HydrophobicContact CE1-CD 4.21Å; Y224-K260 VanDerWaalsContact CE1-CE 3.45Å; Y224-K260 HydrophobicContact CE2-CD 4.15Å; Y224-K260 HydrophobicContact CE2-CG 4.36Å; Y224-K260 VanDerWaalsContact CZ-CE 3.44Å; Y224-K260 VanDerWaalsContact O-CE 3.26Å; Y224-K260 WeakPolarHBondContact O-CE 3.44Å; Y224-K260 PolarHBondContact O-NZ 2.82Å; Y224-V271 HydrophobicContact CD2-CG2 4.21Å; Y224-V271 HydrophobicContact CE2-CG2 4.25Å
225	G	92	Very high	84.8	Confident	4 Å²	4	53.4 Å²	53.4	4%	0.041	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	45.1	-176.7	0	0	0	0	0	113.9	Q221 A222 E286 M287	Q221-G225 PolarHBondContact O-N 3.02Å; A222-G225 PolarHBondContact O-N 3.26Å; A222-G225 VanDerWaalsContact O-N 3.13Å; G225-E286 WeakPolarHBondContact CA-O 3.44Å; G225-M287 WeakPolarHBondContact O-CA 3.28Å
226	I	89.7	Confident	85.6	Confident	17 Å²	17	50.4 Å²	50.4	9%	0.087	28%	0.282	C	S	.	.			trans	-90.5	103.5	175.5	-55.6	169.6	0	0	0	108.1	V210 V219 Q221 Y224 Q228 I229 W234	V210-I226 HydrophobicContact CB-CD1 4.18Å; V210-I226 HydrophobicContact CG1-CD1 4.27Å; V210-I226 HydrophobicContact CG2-CD1 4.22Å; V219-I226 HydrophobicContact CG2-CD1 4.43Å; Q221-I226 HydrophobicContact CG-CB 3.87Å; Q221-I226 HydrophobicContact CG-CG2 4.25Å; Q221-I226 WeakPolarHBondContact CG-O 3.4Å; Q221-I226 PolarHBondContact NE2-O 3.45Å; Q221-I226 PolarHBondContact O-N 3.38Å; Y224-I226 HydrophobicContact CD1-CD1 4.28Å; Y224-I226 HydrophobicContact CD1-CG1 3.91Å; I226-Q228 VanDerWaalsContact C-N 3.34Å; I226-Q228 WeakPolarHBondContact CG2-O 3.46Å; I226-Q228 PolarHBondContact O-N 2.86Å; I226-I229 HydrophobicContact CG2-CG1 4.49Å; I226-W234 HydrophobicContact CD1-CD2 4.18Å; I226-W234 HydrophobicContact CD1-CH2 4.07Å; I226-W234 HydrophobicContact CD1-CZ2 3.46Å; I226-W234 VanDerWaalsContact CD1-CZ2 3.46Å; I226-W234 HydrophobicContact CG1-CZ2 4.11Å
227	L	87.3	Confident	86.4	Confident	96 Å²	96	51.1 Å²	51.1	50%	0.503	28%	0.283	S	S	.	.	S	Bend	trans	-64	-39.6	-179.3	-61.4	-171.8	0	0	0	112.9	Q221 E286 M287	Q221-L227 PolarHBondContact NE2-O 3.02Å; L227-E286 HydrophobicContact CD2-CB 3.89Å; L227-M287 HydrophobicContact CD1-CE 3.22Å; L227-M287 HydrophobicContact CD1-CG 4.45Å; L227-M287 HydrophobicContact CD1-SD 3.74Å; L227-M287 HydrophobicContact CD2-SD 4.3Å; L227-M287 HydrophobicContact CG-CE 3.77Å; L227-M287 HydrophobicContact CG-CG 4.47Å; L227-M287 HydrophobicContact CG-SD 3.58Å; L227-M287 VanDerWaalsContact CG-SD 3.58Å
228	Q	85.8	Confident	86.8	Confident	165 Å²	165	51.3 Å²	51.3	77%	0.771	28%	0.283	S	S	*	.	S	Bend	trans	-141.9	127.5	179.4	-172	164.2	34.9	0	0	110	I226 P230	I226-Q228 VanDerWaalsContact C-N 3.34Å; I226-Q228 WeakPolarHBondContact CG2-O 3.46Å; I226-Q228 PolarHBondContact O-N 2.86Å; Q228-P230 WeakPolarHBondContact O-CD 3.37Å
229	I	81	Confident	86.8	Confident	60 Å²	60	52.8 Å²	52.8	31%	0.308	29%	0.293	S	S	.	.			trans	-70.2	123.1	174.9	-56.8	174.4	0	0	0	107.8	E208 V210 Q221 I226	E208-I229 HydrophobicContact CB-CD1 4.46Å; V210-I229 HydrophobicContact CG2-CD1 3.8Å; V210-I229 HydrophobicContact CG2-CG1 4.07Å; Q221-I229 HydrophobicContact CG-CD1 4.46Å; Q221-I229 HydrophobicContact CG-CG1 4.16Å; I226-I229 HydrophobicContact CG2-CG1 4.49Å
230	P	82.5	Confident	86.9	Confident	60 Å²	60	57.2 Å²	57.2	39%	0.39	31%	0.314	S	S	.	.			trans	-62.2	148.7	177.4	-21.7	33.4	0	0	0	112.2	Q228 G232	Q228-P230 WeakPolarHBondContact O-CD 3.37Å; P230-G232 PolarHBondContact O-N 2.98Å
231	E	76.4	Confident	87.1	Confident	216 Å²	216	59.9 Å²	59.9	100%	1.009	34%	0.337	S	S	*	.	S	Bend	trans	-66.2	-5.9	174.4	-65.1	-176.9	171.2	0	0	113.7
232	G	77.4	Confident	86.9	Confident	55 Å²	55	61.8 Å²	61.8	57%	0.567	36%	0.364	S	S	*	.	S	Bend	trans	-129.8	-150.9	-179.4	0	0	0	0	0	112.3	P230 W234	P230-G232 PolarHBondContact O-N 2.98Å; G232-W234 PolarHBondContact O-N 2.96Å
233	S	78.5	Confident	86.7	Confident	87 Å²	87	61.1 Å²	61.1	61%	0.608	35%	0.354	S	S	*	.			trans	-61.9	133.4	-177.8	57.4	0	0	0	0	112.2	D213	D213-S233 VanDerWaalsContact OD2-C 3.28Å; D213-S233 WeakPolarHBondContact OD2-CA 3.46Å; D213-S233 WeakPolarHBondContact OD2-CB 3.46Å
234	W	85.9	Confident	86.1	Confident	21 Å²	21	67.6 Å²	67.6	8%	0.08	38%	0.38	C	S	.	.			trans	-106.5	132.3	172.1	177.7	76	0	0	0	110.4	V210 C212 D213 V219 Y224 I226 G232 C236	V210-W234 HydrophobicContact CB-CE3 4.41Å; V210-W234 HydrophobicContact CG1-CB 4.2Å; V210-W234 HydrophobicContact CG1-CD2 3.77Å; V210-W234 HydrophobicContact CG1-CE3 3.55Å; V210-W234 HydrophobicContact CG1-CG 4.04Å; V210-W234 HydrophobicContact CG1-CZ3 4.19Å; C212-W234 WeakPolarHBondContact CA-O 3.46Å; C212-W234 HydrophobicContact CB-CE3 3.99Å; C212-W234 HydrophobicContact CB-CH2 4.45Å; C212-W234 HydrophobicContact CB-CZ3 3.64Å; D213-W234 PolarHBondContact N-O 3.46Å; D213-W234 PolarHBondContact OD2-N 3.36Å; V219-W234 HydrophobicContact CG2-CH2 3.64Å; V219-W234 HydrophobicContact CG2-CZ2 4.48Å; V219-W234 HydrophobicContact CG2-CZ3 4.07Å; Y224-W234 HydrophobicContact CD1-CH2 4.08Å; Y224-W234 AromaticContact CD1-CZ2 3.54Å; Y224-W234 HydrophobicContact CD1-CZ2 3.54Å; Y224-W234 HydrophobicContact CE1-CH2 4.2Å; Y224-W234 AromaticContact CE1-CZ2 3.6Å; Y224-W234 HydrophobicContact CE1-CZ2 3.6Å; Y224-W234 HydrophobicContact CG-CH2 4.48Å; Y224-W234 HydrophobicContact CG-CZ2 4.34Å; I226-W234 HydrophobicContact CD1-CD2 4.18Å; I226-W234 HydrophobicContact CD1-CH2 4.07Å; I226-W234 HydrophobicContact CD1-CZ2 3.46Å; I226-W234 VanDerWaalsContact CD1-CZ2 3.46Å; I226-W234 HydrophobicContact CG1-CZ2 4.11Å; G232-W234 PolarHBondContact O-N 2.96Å; W234-C236 HydrophobicContact CH2-CB 3.97Å; W234-C236 HydrophobicContact CZ2-CB 4.27Å
235	M	86.1	Confident	85.2	Confident	82 Å²	82	71.2 Å²	71.2	40%	0.404	41%	0.405	S	S	.	.			trans	-121	137.9	175.6	-67.8	-171.3	-66.6	0	0	109.8	C239 E240	M235-C239 HydrophobicContact CB-CB 4.18Å; M235-E240 HydrophobicContact CB-CG 3.85Å; M235-E240 HydrophobicContact CE-CG 4.46Å
236	C	91.6	Very high	84.7	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.007	43%	0.432	C	S	.	.			trans	-70.6	160.3	173.3	75.9	0	0	0	0	110.8	C212 L217 W234 Q238 C239 E240	C212-C236 HydrophobicContact CB-CB 4.22Å; C212-C236 PolarHBondContact SG-N 2.82Å; L217-C236 HydrophobicContact CD2-CB 3.9Å; W234-C236 HydrophobicContact CH2-CB 3.97Å; W234-C236 HydrophobicContact CZ2-CB 4.27Å; C236-Q238 PolarHBondContact O-N 3.39Å; C236-Q238 VanDerWaalsContact O-N 3.09Å; C236-C239 WeakPolarHBondContact O-CB 3.47Å; C236-C239 PolarHBondContact O-N 2.97Å; C236-C239 VanDerWaalsContact SG-SG 3.62Å; C236-E240 PolarHBondContact O-N 2.87Å
237	R	93.7	Very high	84.6	Confident	81 Å²	81	76.6 Å²	76.6	31%	0.306	44%	0.438	S	S	.	.	H	α-helix	trans	-55.3	-34	-176.7	-63.4	-49.4	-172.1	-156.1	-1.8	113.8	Y224 E240 A241 K260 W268 E289	Y224-R237 HydrophobicContact CE1-CG 4.36Å; Y224-R237 WeakPolarHBondContact OH-CB 3.41Å; Y224-R237 WeakPolarHBondContact OH-CG 3.45Å; Y224-R237 PolarHBondContact OH-N 3.35Å; R237-E240 WeakPolarHBondContact CD-OE2 3.09Å; R237-E240 IonicContact CZ-OE2 2.88Å; R237-E240 IonicContact NE-OE2 3.58Å; R237-E240 IonicContact NH1-OE1 3.69Å; R237-E240 PolarHBondContact NH1-OE1 2.84Å; R237-E240 IonicContact NH1-OE2 3.79Å; R237-E240 PolarHBondContact NH1-OE2 2.95Å; R237-A241 VanDerWaalsContact O-CB 3.25Å; R237-A241 WeakPolarHBondContact O-CB 3.31Å; R237-A241 PolarHBondContact O-N 3.3Å; R237-K260 HydrophobicContact CB-CD 4.33Å; R237-K260 HydrophobicContact CG-CD 3.58Å; R237-W268 HydrophobicContact CB-CH2 4.05Å; R237-W268 HydrophobicContact CB-CZ3 3.99Å; R237-E289 IonicContact CZ-OE1 3.23Å; R237-E289 IonicContact CZ-OE2 3.24Å; R237-E289 IonicContact NE-OE1 2.83Å; R237-E289 PolarHBondContact NE-OE1 3.3Å; R237-E289 IonicContact NE-OE2 2.87Å; R237-E289 PolarHBondContact NE-OE2 3.37Å; R237-E289 IonicContact NH2-OE1 2.73Å; R237-E289 PolarHBondContact NH2-OE1 3.19Å; R237-E289 IonicContact NH2-OE2 3.95Å
238	Q	90.8	Very high	84.8	Confident	12 Å²	12	74.7 Å²	74.7	6%	0.056	43%	0.432	C	S	.	.	H	α-helix	trans	-65.7	-41.1	176.1	-71.2	-172	-45.5	0	0	112.4	C236 G242 V243 G257 M259 W268	C236-Q238 PolarHBondContact O-N 3.39Å; C236-Q238 VanDerWaalsContact O-N 3.09Å; Q238-G242 PolarHBondContact O-N 3.2Å; Q238-V243 PolarHBondContact O-N 2.78Å; Q238-G257 PolarHBondContact OE1-O 2.85Å; Q238-M259 HydrophobicContact CG-CB 4.09Å; Q238-M259 PolarHBondContact NE2-SD 2.97Å; Q238-W268 HydrophobicContact CB-CZ3 4.36Å; Q238-W268 HydrophobicContact CG-CD2 4.33Å; Q238-W268 HydrophobicContact CG-CE3 3.64Å; Q238-W268 HydrophobicContact CG-CH2 4.06Å; Q238-W268 HydrophobicContact CG-CZ3 3.47Å; Q238-W268 VanDerWaalsContact CG-CZ3 3.47Å
239	C	86.3	Confident	85.3	Confident	38 Å²	38	66.9 Å²	66.9	26%	0.257	40%	0.395	S	S	.	.	H	α-helix	trans	-71.1	-42.8	178.6	-68	0	0	0	0	110.9	C212 C215 M235 C236 A241 G242	C212-C239 VanDerWaalsContact SG-SG 3.65Å; C215-C239 VanDerWaalsContact SG-SG 3.68Å; M235-C239 HydrophobicContact CB-CB 4.18Å; C236-C239 WeakPolarHBondContact O-CB 3.47Å; C236-C239 PolarHBondContact O-N 2.97Å; C236-C239 VanDerWaalsContact SG-SG 3.62Å; C239-A241 VanDerWaalsContact C-N 3.29Å; C239-A241 PolarHBondContact O-N 3.01Å; C239-G242 PolarHBondContact O-N 3.37Å
240	E	90.9	Very high	86	Confident	94 Å²	94	65.7 Å²	65.7	44%	0.439	39%	0.392	S	S	.	.	H	α-helix	trans	-58.3	-41.4	174.5	-67.9	178.4	158.1	0	0	111.9	M235 C236 R237 G242	M235-E240 HydrophobicContact CB-CG 3.85Å; M235-E240 HydrophobicContact CE-CG 4.46Å; C236-E240 PolarHBondContact O-N 2.87Å; R237-E240 WeakPolarHBondContact CD-OE2 3.09Å; R237-E240 IonicContact CZ-OE2 2.88Å; R237-E240 IonicContact NE-OE2 3.58Å; R237-E240 IonicContact NH1-OE1 3.69Å; R237-E240 PolarHBondContact NH1-OE1 2.84Å; R237-E240 IonicContact NH1-OE2 3.79Å; R237-E240 PolarHBondContact NH1-OE2 2.95Å; E240-G242 PolarHBondContact O-N 3.33Å
241	A	90.1	Very high	86.6	Confident	61 Å²	61	63 Å²	63	50%	0.504	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-2.9	177.7	0	0	0	0	0	113.9	R237 C239 V243 W268	R237-A241 VanDerWaalsContact O-CB 3.25Å; R237-A241 WeakPolarHBondContact O-CB 3.31Å; R237-A241 PolarHBondContact O-N 3.3Å; C239-A241 VanDerWaalsContact C-N 3.29Å; C239-A241 PolarHBondContact O-N 3.01Å; A241-V243 HydrophobicContact CB-CG2 3.76Å; A241-V243 PolarHBondContact O-N 3Å; A241-W268 HydrophobicContact CB-CH2 4.16Å; A241-W268 HydrophobicContact CB-CZ2 3.94Å
242	G	85.8	Confident	87.6	Confident	66 Å²	66	52.8 Å²	52.8	68%	0.68	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	24.3	-177.1	0	0	0	0	0	113.8	Q238 C239 E240	Q238-G242 PolarHBondContact O-N 3.2Å; C239-G242 PolarHBondContact O-N 3.37Å; E240-G242 PolarHBondContact O-N 3.33Å
243	V	83.2	Confident	88.3	Confident	41 Å²	41	52.2 Å²	52.2	25%	0.248	31%	0.313	C	S	.	.			trans	-78.4	135.1	-175.8	176.3	0	0	0	0	109.9	Q238 A241 T247 W268	Q238-V243 PolarHBondContact O-N 2.78Å; A241-V243 HydrophobicContact CB-CG2 3.76Å; A241-V243 PolarHBondContact O-N 3Å; V243-T247 HydrophobicContact CG1-CG2 4.08Å; V243-T247 WeakPolarHBondContact CG1-OG1 3.43Å; V243-W268 HydrophobicContact CB-CZ2 4.44Å; V243-W268 HydrophobicContact CG2-CZ2 3.7Å
244	K	78.3	Confident	89	Confident	160 Å²	160	49.6 Å²	49.6	70%	0.696	29%	0.292	S	S	*	.			trans	-61.5	139.8	179.1	-63	-178.4	-178.8	180	0	110.6	T246 T247	K244-T246 PolarHBondContact O-N 2.77Å; K244-T247 WeakPolarHBondContact O-CB 3.46Å; K244-T247 PolarHBondContact O-N 3.23Å; K244-T247 PolarHBondContact O-OG1 3.32Å
245	S	75.7	Confident	89.2	Confident	79 Å²	79	52.2 Å²	52.2	55%	0.552	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-12.1	175.4	62.3	0	0	0	0	114	T247 T255 G256	S245-T247 VanDerWaalsContact C-N 3.3Å; S245-T255 WeakPolarHBondContact O-CB 3.32Å; S245-G256 PolarHBondContact O-N 3.06Å
246	T	82	Confident	89	Confident	99 Å²	99	49.2 Å²	49.2	61%	0.607	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-6.1	175.4	57.5	0	0	0	0	113.4	K244 P248 T255	K244-T246 PolarHBondContact O-N 2.77Å; T246-P248 WeakPolarHBondContact O-CD 3.36Å; T246-T255 VanDerWaalsContact O-CG2 3.26Å; T246-T255 WeakPolarHBondContact O-CG2 3.08Å
247	T	88.6	Confident	88.7	Confident	35 Å²	35	50.9 Å²	50.9	22%	0.215	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-65.2	123	177.6	-61.4	0	0	0	0	109.9	V243 K244 S245 W268	V243-T247 HydrophobicContact CG1-CG2 4.08Å; V243-T247 WeakPolarHBondContact CG1-OG1 3.43Å; K244-T247 WeakPolarHBondContact O-CB 3.46Å; K244-T247 PolarHBondContact O-N 3.23Å; K244-T247 PolarHBondContact O-OG1 3.32Å; S245-T247 VanDerWaalsContact C-N 3.3Å; T247-W268 HydrophobicContact CG2-CB 4.22Å; T247-W268 HydrophobicContact CG2-CG 4.19Å
248	P	90.8	Very high	88.5	Confident	56 Å²	56	47.2 Å²	47.2	36%	0.364	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	151.3	178.4	31.8	-34.2	0	0	0	111.3	T246 T255	T246-P248 WeakPolarHBondContact O-CD 3.36Å; P248-T255 HydrophobicContact CB-CG2 4.2Å
249	C	95.8	Very high	88.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	140.6	168.1	162.6	0	0	0	0	109.8	L251 C252 N254 M259 W268 H270 Y313	C249-L251 PolarHBondContact O-N 2.94Å; C249-L251 PolarHBondContact SG-N 3.34Å; C249-C252 PolarHBondContact O-N 3.39Å; C249-N254 PolarHBondContact N-O 3.1Å; C249-M259 HydrophobicContact CB-CE 3.79Å; C249-M259 HydrophobicContact CB-SD 4.2Å; C249-W268 CarbonylContact C-O 3.5Å; C249-W268 VanDerWaalsContact CA-O 3.31Å; C249-W268 WeakPolarHBondContact CA-O 3.33Å; C249-H270 VanDerWaalsContact CB-CE1 3.45Å; C249-H270 WeakPolarHBondContact CB-CE1 3.5Å; C249-H270 WeakPolarHBondContact CB-ND1 3.42Å; C249-H270 PolarHBondContact SG-N 3.12Å; C249-H270 PolarHBondContact SG-ND1 3.25Å; C249-H270 VanDerWaalsContact SG-ND1 3.35Å; C249-Y313 WeakPolarHBondContact O-CE1 3.44Å; C249-Y313 PolarHBondContact O-OH 3.01Å
250	S	95.3	Very high	89.1	Confident	35 Å²	35	44.9 Å²	44.9	25%	0.245	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.8	-178.6	-54.4	0	0	0	0	113.6	R267 W268 G314	S250-R267 WeakPolarHBondContact OG-CB 3.43Å; S250-W268 PolarHBondContact N-O 3.43Å; S250-W268 PolarHBondContact OG-O 2.87Å; S250-G314 WeakPolarHBondContact O-CA 3.36Å
251	L	96.6	Very high	89.4	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.026	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-14.1	178.8	-61.4	171.8	0	0	0	113.6	C249 C269 C273 V277 V280 L294 I297 G314 A315	C249-L251 PolarHBondContact O-N 2.94Å; C249-L251 PolarHBondContact SG-N 3.34Å; L251-C269 HydrophobicContact CD1-CB 4.18Å; L251-C269 HydrophobicContact CG-CB 4.46Å; L251-C273 HydrophobicContact CB-CB 3.75Å; L251-C273 HydrophobicContact CD1-CB 3.64Å; L251-C273 HydrophobicContact CG-CB 4.33Å; L251-V277 HydrophobicContact CD1-CG2 4.49Å; L251-V280 HydrophobicContact CD1-CG1 4.44Å; L251-V280 HydrophobicContact CD1-CG2 4.34Å; L251-V280 HydrophobicContact CD2-CG2 4.19Å; L251-L294 HydrophobicContact CD1-CD2 4.2Å; L251-L294 HydrophobicContact CD2-CD2 3.82Å; L251-L294 HydrophobicContact CG-CD2 4.11Å; L251-I297 HydrophobicContact CD2-CD1 3.34Å; L251-G314 CarbonylContact O-C 3.53Å; L251-G314 WeakPolarHBondContact O-CA 3.36Å; L251-A315 HydrophobicContact CD2-CB 3.91Å; L251-A315 PolarHBondContact O-N 3.16Å
252	C	95.8	Very high	89.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	153.6	178.7	74.4	0	0	0	0	112.1	C249 N254 H270 C273 Y313 H329 T331	C249-C252 PolarHBondContact O-N 3.39Å; C252-N254 PolarHBondContact O-N 3.45Å; C252-H270 VanDerWaalsContact SG-CE1 3.52Å; C252-H270 PolarHBondContact SG-ND1 3.19Å; C252-C273 VanDerWaalsContact SG-SG 3.62Å; C252-Y313 WeakPolarHBondContact O-CE1 3.36Å; C252-H329 HydrophobicContact CB-CB 3.93Å; C252-T331 PolarHBondContact SG-OG1 3.08Å
253	P	93.9	Very high	90	Very high	44 Å²	44	41.8 Å²	41.8	29%	0.286	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-4.3	-174.7	30.8	-36.8	0	0	0	114.1	Y313 H329	P253-Y313 HydrophobicContact CB-CD1 3.98Å; P253-Y313 HydrophobicContact CB-CG 4.25Å; P253-Y313 VanDerWaalsContact N-CD1 3.3Å; P253-H329 WeakPolarHBondContact CD-CE1 3.26Å
254	N	91.8	Very high	90.3	Very high	31 Å²	31	42.6 Å²	42.6	17%	0.166	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	143.4	-178	-66.2	-31	0	0	0	111.2	C249 C252 H270 T331 C332 Q335	C249-N254 PolarHBondContact N-O 3.1Å; C252-N254 PolarHBondContact O-N 3.45Å; N254-H270 PolarHBondContact O-CE1 3.18Å; N254-T331 WeakPolarHBondContact ND2-CB 3.34Å; N254-T331 PolarHBondContact ND2-OG1 3.49Å; N254-C332 PolarHBondContact ND2-SG 3.39Å; N254-Q335 PolarHBondContact ND2-OE1 3.2Å
255	T	89.5	Confident	90.9	Very high	77 Å²	77	37.1 Å²	37.1	47%	0.472	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	164.9	179.5	59.6	0	0	0	0	110.5	S245 T246 P248	S245-T255 WeakPolarHBondContact O-CB 3.32Å; T246-T255 VanDerWaalsContact O-CG2 3.26Å; T246-T255 WeakPolarHBondContact O-CG2 3.08Å; P248-T255 HydrophobicContact CB-CG2 4.2Å
256	G	83.6	Confident	91.6	Very high	18 Å²	18	41 Å²	41	19%	0.186	25%	0.254	C	S	.	.	S	Bend	trans	69.1	-168.8	-177.9	0	0	0	0	0	114.5	S245 M259 H270	S245-G256 PolarHBondContact O-N 3.06Å; G256-M259 WeakPolarHBondContact O-CE 3.02Å; G256-H270 PolarHBondContact O-CD2 3.21Å; G256-H270 VanDerWaalsContact O-CD2 3.22Å; G256-H270 PolarHBondContact O-NE2 2.89Å
257	G	84.1	Confident	92.2	Very high	36 Å²	36	41.1 Å²	41.1	37%	0.371	24%	0.244	S	C	.	.	S	Bend	trans	75.2	-175.7	-177.1	0	0	0	0	0	114	L217 Q238 M259	L217-G257 VanDerWaalsContact CD1-C 3.4Å; Q238-G257 PolarHBondContact OE1-O 2.85Å; G257-M259 PolarHBondContact O-N 3.18Å
258	A	90.4	Very high	92.5	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.033	24%	0.238	C	C	.	.	S	Bend	trans	-73.4	101.1	-173.8	0	0	0	0	0	111.2	I197 L217 V219 Y224 H270 V271	I197-A258 HydrophobicContact CD1-CB 3.69Å; I197-A258 HydrophobicContact CG1-CB 3.53Å; L217-A258 HydrophobicContact CD1-CB 3.88Å; L217-A258 HydrophobicContact CD2-CB 3.78Å; L217-A258 HydrophobicContact CG-CB 4.31Å; V219-A258 HydrophobicContact CG1-CB 3.97Å; Y224-A258 HydrophobicContact CD2-CB 4.12Å; Y224-A258 HydrophobicContact CE2-CB 4.19Å; A258-H270 CarbonylContact O-C 3.51Å; A258-H270 VanDerWaalsContact O-CA 3.25Å; A258-H270 WeakPolarHBondContact O-CA 3.18Å; A258-V271 PolarHBondContact O-N 2.94Å
259	M	94.6	Very high	92.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	154.1	177.2	-55.2	-163.8	-170.5	0	0	113.1	Y224 Q238 C249 G256 G257 W268 C269 H270	Y224-M259 PolarHBondContact OH-O 3.16Å; Y224-M259 VanDerWaalsContact OH-O 3.07Å; Q238-M259 HydrophobicContact CG-CB 4.09Å; Q238-M259 PolarHBondContact NE2-SD 2.97Å; C249-M259 HydrophobicContact CB-CE 3.79Å; C249-M259 HydrophobicContact CB-SD 4.2Å; G256-M259 WeakPolarHBondContact O-CE 3.02Å; G257-M259 PolarHBondContact O-N 3.18Å; M259-W268 HydrophobicContact CB-CE3 3.94Å; M259-W268 HydrophobicContact SD-CB 3.95Å; M259-C269 WeakPolarHBondContact CA-O 3.46Å; M259-C269 WeakPolarHBondContact CB-O 3.26Å; M259-H270 VanDerWaalsContact CE-NE2 3.32Å; M259-H270 WeakPolarHBondContact CE-NE2 3.37Å
260	K	95.4	Very high	92.7	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	161.8	171.1	-65	-76.4	-158.2	162.6	0	109.5	Y224 R237 W268 C269 V271 E289 I291	Y224-K260 HydrophobicContact CE1-CD 4.21Å; Y224-K260 VanDerWaalsContact CE1-CE 3.45Å; Y224-K260 HydrophobicContact CE2-CD 4.15Å; Y224-K260 HydrophobicContact CE2-CG 4.36Å; Y224-K260 VanDerWaalsContact CZ-CE 3.44Å; Y224-K260 VanDerWaalsContact O-CE 3.26Å; Y224-K260 WeakPolarHBondContact O-CE 3.44Å; Y224-K260 PolarHBondContact O-NZ 2.82Å; R237-K260 HydrophobicContact CB-CD 4.33Å; R237-K260 HydrophobicContact CG-CD 3.58Å; K260-W268 VanDerWaalsContact C-CE3 3.5Å; K260-C269 PolarHBondContact N-O 3.12Å; K260-C269 PolarHBondContact O-N 3.37Å; K260-V271 HydrophobicContact CB-CG2 4.44Å; K260-V271 HydrophobicContact CG-CG2 3.6Å; K260-E289 HydrophobicContact CD-CB 4.14Å; K260-E289 WeakPolarHBondContact CD-OE2 3.17Å; K260-E289 WeakPolarHBondContact CE-OE2 3.44Å; K260-E289 IonicContact NZ-OE1 2.74Å; K260-E289 IonicContact NZ-OE2 3.72Å; K260-E289 PolarHBondContact NZ-OE2 3.08Å; K260-I291 HydrophobicContact CB-CD1 3.9Å; K260-I291 HydrophobicContact CB-CG1 4.19Å
261	L	95.7	Very high	92.7	Very high	60 Å²	60	36.7 Å²	36.7	31%	0.314	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	147.1	177	-159.6	69.5	0	0	0	110	W268 I291	L261-W268 HydrophobicContact CB-CH2 4.49Å; L261-W268 HydrophobicContact CD1-CD2 3.98Å; L261-W268 VanDerWaalsContact CD1-CE2 3.49Å; L261-W268 HydrophobicContact CD1-CG 4.24Å; L261-W268 HydrophobicContact CD1-CZ2 3.82Å; L261-I291 PolarHBondContact O-N 3.5Å
262	S	94.9	Very high	92.5	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.028	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-79	167.7	170.1	41.7	0	0	0	0	113.3	D264 G265 R267 I291 L294	S262-D264 PolarHBondContact O-N 3.38Å; S262-D264 VanDerWaalsContact OG-CG 3.29Å; S262-D264 PolarHBondContact OG-OD1 3.45Å; S262-G265 PolarHBondContact O-N 3.44Å; S262-R267 PolarHBondContact N-O 3.33Å; S262-R267 VanDerWaalsContact OG-CB 3.25Å; S262-R267 WeakPolarHBondContact OG-CB 3.5Å; S262-R267 PolarHBondContact OG-N 3.1Å; S262-R267 PolarHBondContact OG-O 2.98Å; S262-I291 CarbonylContact C-O 3.54Å; S262-I291 WeakPolarHBondContact CA-O 3.47Å; S262-I291 VanDerWaalsContact CB-O 3.22Å; S262-I291 WeakPolarHBondContact CB-O 3.3Å; S262-L294 VanDerWaalsContact CB-CD1 3.5Å
263	D	93.3	Very high	92.5	Very high	92 Å²	92	36.7 Å²	36.7	49%	0.492	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.3	175.9	56.1	-6.4	0	0	0	114.4	G265 P290 I291 I292	D263-G265 PolarHBondContact O-N 2.97Å; D263-P290 HydrophobicContact CB-CB 4.48Å; D263-P290 HydrophobicContact CB-CG 4.27Å; D263-I291 PolarHBondContact N-O 2.92Å; D263-I292 HydrophobicContact CB-CG2 3.95Å
264	D	91	Very high	92.5	Very high	57 Å²	57	34.7 Å²	34.7	31%	0.305	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-12.6	171.3	68.9	10.8	0	0	0	114.5	S262 Q266 R267	S262-D264 PolarHBondContact O-N 3.38Å; S262-D264 VanDerWaalsContact OG-CG 3.29Å; S262-D264 PolarHBondContact OG-OD1 3.45Å; D264-Q266 PolarHBondContact O-N 3.16Å; D264-Q266 PolarHBondContact OD1-N 3.16Å; D264-R267 PolarHBondContact OD1-N 3.05Å; D264-R267 VanDerWaalsContact OD2-CD 3.3Å; D264-R267 WeakPolarHBondContact OD2-CD 3.5Å; D264-R267 WeakPolarHBondContact OD2-CG 3.46Å; D264-R267 IonicContact OD2-CZ 2.99Å; D264-R267 VanDerWaalsContact OD2-CZ 3.25Å; D264-R267 IonicContact OD2-NE 3.94Å; D264-R267 PolarHBondContact OD2-NE 2.87Å; D264-R267 IonicContact OD2-NH1 3.58Å; D264-R267 PolarHBondContact OD2-NH1 2.85Å
265	G	89.8	Confident	92.4	Very high	46 Å²	46	36.9 Å²	36.9	47%	0.474	21%	0.21	S	C	.	.	S	Bend	trans	70.4	6.7	-178.6	0	0	0	0	0	115.4	S262 D263	S262-G265 PolarHBondContact O-N 3.44Å; D263-G265 PolarHBondContact O-N 2.97Å
266	Q	90.2	Very high	92.6	Very high	160 Å²	160	34.8 Å²	34.8	75%	0.748	19%	0.193	S	C	*	.	S	Bend	trans	-117	-34.9	-175.2	-66.1	-172	2.6	0	0	113.1	D264	D264-Q266 PolarHBondContact O-N 3.16Å; D264-Q266 PolarHBondContact OD1-N 3.16Å
267	R	94.2	Very high	93.1	Very high	101 Å²	101	34 Å²	34	38%	0.381	18%	0.184	S	C	.	.			trans	-100	140.1	-171	-65.7	176.9	-162.9	128.1	-9	111.2	S250 S262 D264 L294 D295	S250-R267 WeakPolarHBondContact OG-CB 3.43Å; S262-R267 PolarHBondContact N-O 3.33Å; S262-R267 VanDerWaalsContact OG-CB 3.25Å; S262-R267 WeakPolarHBondContact OG-CB 3.5Å; S262-R267 PolarHBondContact OG-N 3.1Å; S262-R267 PolarHBondContact OG-O 2.98Å; D264-R267 PolarHBondContact OD1-N 3.05Å; D264-R267 VanDerWaalsContact OD2-CD 3.3Å; D264-R267 WeakPolarHBondContact OD2-CD 3.5Å; D264-R267 WeakPolarHBondContact OD2-CG 3.46Å; D264-R267 IonicContact OD2-CZ 2.99Å; D264-R267 VanDerWaalsContact OD2-CZ 3.25Å; D264-R267 IonicContact OD2-NE 3.94Å; D264-R267 PolarHBondContact OD2-NE 2.87Å; D264-R267 IonicContact OD2-NH1 3.58Å; D264-R267 PolarHBondContact OD2-NH1 2.85Å; R267-L294 HydrophobicContact CB-CD1 4.44Å; R267-D295 IonicContact NH1-OD1 3.31Å
268	W	96	Very high	93.4	Very high	24 Å²	24	36.8 Å²	36.8	9%	0.091	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	140.7	173.7	-71.9	83.9	0	0	0	109.6	R237 Q238 A241 V243 T247 C249 S250 M259 K260 L261	R237-W268 HydrophobicContact CB-CH2 4.05Å; R237-W268 HydrophobicContact CB-CZ3 3.99Å; Q238-W268 HydrophobicContact CB-CZ3 4.36Å; Q238-W268 HydrophobicContact CG-CD2 4.33Å; Q238-W268 HydrophobicContact CG-CE3 3.64Å; Q238-W268 HydrophobicContact CG-CH2 4.06Å; Q238-W268 HydrophobicContact CG-CZ3 3.47Å; Q238-W268 VanDerWaalsContact CG-CZ3 3.47Å; A241-W268 HydrophobicContact CB-CH2 4.16Å; A241-W268 HydrophobicContact CB-CZ2 3.94Å; V243-W268 HydrophobicContact CB-CZ2 4.44Å; V243-W268 HydrophobicContact CG2-CZ2 3.7Å; T247-W268 HydrophobicContact CG2-CB 4.22Å; T247-W268 HydrophobicContact CG2-CG 4.19Å; C249-W268 CarbonylContact C-O 3.5Å; C249-W268 VanDerWaalsContact CA-O 3.31Å; C249-W268 WeakPolarHBondContact CA-O 3.33Å; S250-W268 PolarHBondContact N-O 3.43Å; S250-W268 PolarHBondContact OG-O 2.87Å; M259-W268 HydrophobicContact CB-CE3 3.94Å; M259-W268 HydrophobicContact SD-CB 3.95Å; K260-W268 VanDerWaalsContact C-CE3 3.5Å; L261-W268 HydrophobicContact CB-CH2 4.49Å; L261-W268 HydrophobicContact CD1-CD2 3.98Å; L261-W268 VanDerWaalsContact CD1-CE2 3.49Å; L261-W268 HydrophobicContact CD1-CG 4.24Å; L261-W268 HydrophobicContact CD1-CZ2 3.82Å
269	C	96.3	Very high	93.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	144.5	174.8	-68.6	0	0	0	0	110	L251 M259 K260 V271 I291	L251-C269 HydrophobicContact CD1-CB 4.18Å; L251-C269 HydrophobicContact CG-CB 4.46Å; M259-C269 WeakPolarHBondContact CA-O 3.46Å; M259-C269 WeakPolarHBondContact CB-O 3.26Å; K260-C269 PolarHBondContact N-O 3.12Å; K260-C269 PolarHBondContact O-N 3.37Å; C269-V271 PolarHBondContact O-N 3.15Å; C269-I291 HydrophobicContact CB-CD1 3.47Å; C269-I291 VanDerWaalsContact CB-CD1 3.47Å; C269-I291 HydrophobicContact CB-CG2 4.31Å; C269-I291 WeakPolarHBondContact O-CD1 3.09Å
270	H	95.4	Very high	93.6	Very high	9 Å²	9	39.5 Å²	39.5	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	136.9	168.3	-62.7	110.8	0	0	0	109.9	C249 C252 N254 G256 A258 M259 S272 C273 A274	C249-H270 VanDerWaalsContact CB-CE1 3.45Å; C249-H270 WeakPolarHBondContact CB-CE1 3.5Å; C249-H270 WeakPolarHBondContact CB-ND1 3.42Å; C249-H270 PolarHBondContact SG-N 3.12Å; C249-H270 PolarHBondContact SG-ND1 3.25Å; C249-H270 VanDerWaalsContact SG-ND1 3.35Å; C252-H270 VanDerWaalsContact SG-CE1 3.52Å; C252-H270 PolarHBondContact SG-ND1 3.19Å; N254-H270 PolarHBondContact O-CE1 3.18Å; G256-H270 PolarHBondContact O-CD2 3.21Å; G256-H270 VanDerWaalsContact O-CD2 3.22Å; G256-H270 PolarHBondContact O-NE2 2.89Å; A258-H270 CarbonylContact O-C 3.51Å; A258-H270 VanDerWaalsContact O-CA 3.25Å; A258-H270 WeakPolarHBondContact O-CA 3.18Å; M259-H270 VanDerWaalsContact CE-NE2 3.32Å; M259-H270 WeakPolarHBondContact CE-NE2 3.37Å; H270-S272 PolarHBondContact O-N 3.33Å; H270-C273 HydrophobicContact CB-CB 3.89Å; H270-C273 WeakPolarHBondContact O-CB 3.48Å; H270-C273 PolarHBondContact O-N 3.14Å; H270-A274 PolarHBondContact O-N 3.31Å
271	V	94.8	Very high	93.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.2	-42.2	173.4	-179.9	0	0	0	0	109.9	I197 Y224 A258 K260 C269 C273 A274 L275 F282 M288	I197-V271 HydrophobicContact CD1-CB 4.04Å; I197-V271 HydrophobicContact CD1-CG1 4.07Å; I197-V271 HydrophobicContact CD1-CG2 4.42Å; I197-V271 HydrophobicContact CG1-CB 4.37Å; I197-V271 HydrophobicContact CG2-CG1 4.21Å; Y224-V271 HydrophobicContact CD2-CG2 4.21Å; Y224-V271 HydrophobicContact CE2-CG2 4.25Å; A258-V271 PolarHBondContact O-N 2.94Å; K260-V271 HydrophobicContact CB-CG2 4.44Å; K260-V271 HydrophobicContact CG-CG2 3.6Å; C269-V271 PolarHBondContact O-N 3.15Å; V271-C273 PolarHBondContact O-N 3.4Å; V271-A274 PolarHBondContact O-N 3.11Å; V271-L275 WeakPolarHBondContact O-CB 3.41Å; V271-L275 PolarHBondContact O-N 3.15Å; V271-F282 HydrophobicContact CG1-CE1 4.09Å; V271-F282 HydrophobicContact CG1-CZ 3.86Å; V271-M288 HydrophobicContact CG1-SD 3.79Å
272	S	91.7	Very high	93.3	Very high	5 Å²	5	39 Å²	39	4%	0.035	21%	0.21	C	C	.	.	H	α-helix	trans	-65.3	-37.1	175.1	57.9	0	0	0	0	113.5	H270 L275 W276	H270-S272 PolarHBondContact O-N 3.33Å; S272-L275 PolarHBondContact O-N 3.1Å; S272-W276 WeakPolarHBondContact O-CB 3.42Å; S272-W276 PolarHBondContact O-N 2.79Å; S272-W276 VanDerWaalsContact O-N 3.1Å
273	C	95.3	Very high	93.1	Very high	1 Å²	1	41 Å²	41	1%	0.007	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-42.7	173.5	-72.1	0	0	0	0	111.4	L251 C252 H270 V271 L275 W276 V277	L251-C273 HydrophobicContact CB-CB 3.75Å; L251-C273 HydrophobicContact CD1-CB 3.64Å; L251-C273 HydrophobicContact CG-CB 4.33Å; C252-C273 VanDerWaalsContact SG-SG 3.62Å; H270-C273 HydrophobicContact CB-CB 3.89Å; H270-C273 WeakPolarHBondContact O-CB 3.48Å; H270-C273 PolarHBondContact O-N 3.14Å; V271-C273 PolarHBondContact O-N 3.4Å; C273-L275 VanDerWaalsContact C-N 3.35Å; C273-W276 PolarHBondContact O-N 2.97Å; C273-V277 WeakPolarHBondContact O-CB 3.44Å; C273-V277 VanDerWaalsContact O-CG2 3.25Å; C273-V277 WeakPolarHBondContact O-CG2 3.39Å; C273-V277 PolarHBondContact O-N 3.3Å; C273-V277 VanDerWaalsContact O-N 3.08Å
274	A	94.4	Very high	93.1	Very high	1 Å²	1	40 Å²	40	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-64.6	-37.8	177.6	0	0	0	0	0	112.4	H270 V271 V280 F282 I291	H270-A274 PolarHBondContact O-N 3.31Å; V271-A274 PolarHBondContact O-N 3.11Å; A274-V280 HydrophobicContact CB-CG1 3.7Å; A274-F282 HydrophobicContact CB-CE1 3.81Å; A274-F282 HydrophobicContact CB-CZ 3.74Å; A274-I291 HydrophobicContact CB-CD1 3.92Å; A274-I291 HydrophobicContact CB-CG1 4.08Å; A274-I291 HydrophobicContact CB-CG2 3.93Å
275	L	90.8	Very high	93	Very high	78 Å²	78	42.6 Å²	42.6	41%	0.408	24%	0.244	S	C	.	.	H	α-helix	trans	-65.7	-41.4	177.3	-177.7	65.3	0	0	0	112.6	V271 S272 C273 L351	V271-L275 WeakPolarHBondContact O-CB 3.41Å; V271-L275 PolarHBondContact O-N 3.15Å; S272-L275 PolarHBondContact O-N 3.1Å; C273-L275 VanDerWaalsContact C-N 3.35Å; L275-L351 HydrophobicContact CG-CD1 4.1Å; L275-L351 WeakPolarHBondContact O-CD1 3.35Å
276	W	93.3	Very high	93	Very high	32 Å²	32	47 Å²	47	12%	0.121	25%	0.253	C	S	.	.	H	α-helix	trans	-89	-16.9	-172.6	-78.1	78.6	0	0	0	114.4	S272 C273 V317 V330 F334 M340 L351	S272-W276 WeakPolarHBondContact O-CB 3.42Å; S272-W276 PolarHBondContact O-N 2.79Å; S272-W276 VanDerWaalsContact O-N 3.1Å; C273-W276 PolarHBondContact O-N 2.97Å; W276-V317 WeakPolarHBondContact O-CG1 3.14Å; W276-V330 HydrophobicContact CB-CB 4.3Å; W276-V330 HydrophobicContact CB-CG1 3.82Å; W276-V330 HydrophobicContact CB-CG2 3.47Å; W276-V330 VanDerWaalsContact CB-CG2 3.47Å; W276-V330 HydrophobicContact CD2-CG1 4.26Å; W276-V330 HydrophobicContact CG-CG1 3.65Å; W276-V330 HydrophobicContact CG-CG2 4.18Å; W276-F334 HydrophobicContact CZ2-CE1 4.44Å; W276-F334 HydrophobicContact CZ2-CZ 4.42Å; W276-F334 AromaticContact NE1-CZ 3.65Å; W276-M340 HydrophobicContact CD2-CE 3.75Å; W276-M340 HydrophobicContact CE3-CE 3.38Å; W276-M340 HydrophobicContact CH2-CB 3.72Å; W276-M340 HydrophobicContact CH2-CE 3.68Å; W276-M340 HydrophobicContact CH2-SD 4.33Å; W276-M340 HydrophobicContact CZ2-CB 3.92Å; W276-M340 HydrophobicContact CZ2-CE 4Å; W276-M340 HydrophobicContact CZ3-CB 4.5Å; W276-M340 HydrophobicContact CZ3-CE 3.35Å; W276-M340 HydrophobicContact CZ3-SD 4.17Å; W276-L351 HydrophobicContact CB-CD1 4.49Å; W276-L351 HydrophobicContact CD2-CB 4.3Å; W276-L351 HydrophobicContact CD2-CD1 4.06Å; W276-L351 HydrophobicContact CE3-CB 3.81Å; W276-L351 HydrophobicContact CE3-CD1 4.34Å; W276-L351 HydrophobicContact CG-CD1 4.11Å; W276-L351 HydrophobicContact CH2-CB 4.18Å; W276-L351 HydrophobicContact CZ2-CD2 4.47Å; W276-L351 HydrophobicContact CZ3-CB 3.75Å
277	V	94.2	Very high	93	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	23%	0.231	C	C	.	.	S	Bend	trans	-89.4	112.2	174.3	177.3	0	0	0	0	108.7	L251 C273 E279 V280 I297 A315 V317	L251-V277 HydrophobicContact CD1-CG2 4.49Å; C273-V277 WeakPolarHBondContact O-CB 3.44Å; C273-V277 VanDerWaalsContact O-CG2 3.25Å; C273-V277 WeakPolarHBondContact O-CG2 3.39Å; C273-V277 PolarHBondContact O-N 3.3Å; C273-V277 VanDerWaalsContact O-N 3.08Å; V277-E279 VanDerWaalsContact C-N 3.25Å; V277-E279 WeakPolarHBondContact CG1-OE2 3.15Å; V277-E279 PolarHBondContact O-N 3.03Å; V277-E279 VanDerWaalsContact O-N 3.16Å; V277-V280 HydrophobicContact CB-CB 4.3Å; V277-V280 HydrophobicContact CB-CG2 4.07Å; V277-V280 HydrophobicContact CG1-CB 4.35Å; V277-V280 HydrophobicContact CG1-CG2 3.7Å; V277-V280 PolarHBondContact O-N 2.88Å; V277-I297 HydrophobicContact CG1-CD1 4.47Å; V277-A315 HydrophobicContact CG1-CB 4.4Å; V277-A315 HydrophobicContact CG2-CB 4.34Å; V277-V317 HydrophobicContact CG2-CG1 4.18Å
278	P	90.3	Very high	92.9	Very high	96 Å²	96	39 Å²	39	62%	0.623	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.2	-166.6	26.8	-34.8	0	0	0	114.4	V280	P278-V280 VanDerWaalsContact C-N 3.33Å
279	E	93.4	Very high	92.8	Very high	47 Å²	47	40 Å²	40	22%	0.22	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.1	177.6	-55.8	87.7	176.5	0	0	113.4	V277 K293 I297 R301	V277-E279 VanDerWaalsContact C-N 3.25Å; V277-E279 WeakPolarHBondContact CG1-OE2 3.15Å; V277-E279 PolarHBondContact O-N 3.03Å; V277-E279 VanDerWaalsContact O-N 3.16Å; E279-K293 WeakPolarHBondContact O-CB 3.38Å; E279-I297 HydrophobicContact CB-CG1 4.33Å; E279-R301 VanDerWaalsContact CD-NE 3.34Å; E279-R301 IonicContact OE1-CZ 3.45Å; E279-R301 VanDerWaalsContact OE1-CZ 3.31Å; E279-R301 IonicContact OE1-NE 3.9Å; E279-R301 PolarHBondContact OE1-NE 2.89Å; E279-R301 IonicContact OE1-NH2 3.69Å; E279-R301 PolarHBondContact OE1-NH2 3.06Å; E279-R301 IonicContact OE2-CZ 3.62Å; E279-R301 IonicContact OE2-NE 2.7Å; E279-R301 PolarHBondContact OE2-NE 2.79Å; E279-R301 IonicContact OE2-NH2 2.82Å
280	V	94.4	Very high	92.7	Very high	14 Å²	14	42.6 Å²	42.6	9%	0.085	24%	0.243	C	C	.	.			trans	-98.9	151.9	-178.9	-178.7	0	0	0	0	109.3	L251 A274 V277 P278 I291 L294 I297	L251-V280 HydrophobicContact CD1-CG1 4.44Å; L251-V280 HydrophobicContact CD1-CG2 4.34Å; L251-V280 HydrophobicContact CD2-CG2 4.19Å; A274-V280 HydrophobicContact CB-CG1 3.7Å; V277-V280 HydrophobicContact CB-CB 4.3Å; V277-V280 HydrophobicContact CB-CG2 4.07Å; V277-V280 HydrophobicContact CG1-CB 4.35Å; V277-V280 HydrophobicContact CG1-CG2 3.7Å; V277-V280 PolarHBondContact O-N 2.88Å; P278-V280 VanDerWaalsContact C-N 3.33Å; V280-I291 HydrophobicContact CG1-CG2 3.56Å; V280-L294 HydrophobicContact CG1-CD2 4.03Å; V280-L294 HydrophobicContact CG2-CD2 3.97Å; V280-I297 HydrophobicContact CG2-CD1 3.6Å; V280-I297 HydrophobicContact CG2-CG1 3.85Å
281	G	91.9	Very high	92.8	Very high	20 Å²	20	42.1 Å²	42.1	21%	0.206	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	-170.3	174.5	0	0	0	0	0	112.3	I292	G281-I292 PolarHBondContact N-O 2.86Å; G281-I292 WeakPolarHBondContact O-CG1 3.31Å; G281-I292 PolarHBondContact O-N 2.78Å
282	F	94.5	Very high	92.8	Very high	30 Å²	30	43.9 Å²	43.9	13%	0.132	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.7	177.2	-54.2	-77.4	0	0	0	109.5	V271 A274 D284 M288 P290 I291	V271-F282 HydrophobicContact CG1-CE1 4.09Å; V271-F282 HydrophobicContact CG1-CZ 3.86Å; A274-F282 HydrophobicContact CB-CE1 3.81Å; A274-F282 HydrophobicContact CB-CZ 3.74Å; F282-D284 WeakPolarHBondContact CB-O 3.44Å; F282-M288 VanDerWaalsContact CD1-C 3.46Å; F282-M288 HydrophobicContact CD1-CB 4.11Å; F282-M288 WeakPolarHBondContact CD1-O 3.23Å; F282-M288 HydrophobicContact CE1-CB 4.23Å; F282-M288 HydrophobicContact CG-CB 4.41Å; F282-P290 CarbonylContact C-O 3.55Å; F282-P290 WeakPolarHBondContact CA-O 3.33Å; F282-I291 HydrophobicContact CD1-CG1 4.06Å; F282-I291 HydrophobicContact CE1-CD1 4.48Å; F282-I291 HydrophobicContact CE1-CG1 3.94Å
283	G	91.1	Very high	92.9	Very high	48 Å²	48	49 Å²	49	50%	0.495	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	-50.3	174.7	0	0	0	0	0	111.1	P290	G283-P290 PolarHBondContact N-O 2.94Å
284	D	92.5	Very high	92.8	Very high	71 Å²	71	49.7 Å²	49.7	38%	0.38	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.6	167.7	-172.6	-20.2	0	0	0	109.3	F282 E286 M287 M288 E289	F282-D284 WeakPolarHBondContact CB-O 3.44Å; D284-E286 PolarHBondContact OD1-N 3Å; D284-M287 HydrophobicContact CB-CB 4.11Å; D284-M287 HydrophobicContact CB-CG 4.44Å; D284-M287 PolarHBondContact OD1-N 3.41Å; D284-M288 WeakPolarHBondContact O-CA 3.41Å; D284-M288 PolarHBondContact O-N 2.96Å; D284-E289 WeakPolarHBondContact CB-O 3.43Å; D284-E289 PolarHBondContact N-O 2.94Å; D284-E289 PolarHBondContact O-N 3.06Å
285	V	88.8	Confident	92.7	Very high	111 Å²	111	55.1 Å²	55.1	67%	0.673	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-30.3	-177.8	-178.7	0	0	0	0	111.3
286	E	89.4	Confident	92.8	Very high	139 Å²	139	56.5 Å²	56.5	65%	0.65	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-40.1	179.3	-62.5	-171.9	166.4	0	0	111.2	G225 L227 D284 M288	G225-E286 WeakPolarHBondContact CA-O 3.44Å; L227-E286 HydrophobicContact CD2-CB 3.89Å; D284-E286 PolarHBondContact OD1-N 3Å; E286-M288 VanDerWaalsContact C-N 3.34Å
287	M	91.4	Very high	92.8	Very high	57 Å²	57	55.3 Å²	55.3	28%	0.281	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.7	176.8	-65.9	-77.7	-158.5	0	0	113.7	G225 L227 D284 E289	G225-M287 WeakPolarHBondContact O-CA 3.28Å; L227-M287 HydrophobicContact CD1-CE 3.22Å; L227-M287 HydrophobicContact CD1-CG 4.45Å; L227-M287 HydrophobicContact CD1-SD 3.74Å; L227-M287 HydrophobicContact CD2-SD 4.3Å; L227-M287 HydrophobicContact CG-CE 3.77Å; L227-M287 HydrophobicContact CG-CG 4.47Å; L227-M287 HydrophobicContact CG-SD 3.58Å; L227-M287 VanDerWaalsContact CG-SD 3.58Å; D284-M287 HydrophobicContact CB-CB 4.11Å; D284-M287 HydrophobicContact CB-CG 4.44Å; D284-M287 PolarHBondContact OD1-N 3.41Å; M287-E289 HydrophobicContact CB-CG 3.9Å; M287-E289 PolarHBondContact O-N 2.91Å; M287-E289 VanDerWaalsContact O-N 3.16Å
288	M	90.8	Very high	92.9	Very high	36 Å²	36	58 Å²	58	18%	0.177	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	35.2	-170.4	-62.7	-157.2	176.2	0	0	113.4	A222 V271 F282 D284 E286	A222-M288 VanDerWaalsContact O-CE 3.27Å; A222-M288 WeakPolarHBondContact O-CE 3.43Å; V271-M288 HydrophobicContact CG1-SD 3.79Å; F282-M288 VanDerWaalsContact CD1-C 3.46Å; F282-M288 HydrophobicContact CD1-CB 4.11Å; F282-M288 WeakPolarHBondContact CD1-O 3.23Å; F282-M288 HydrophobicContact CE1-CB 4.23Å; F282-M288 HydrophobicContact CG-CB 4.41Å; D284-M288 WeakPolarHBondContact O-CA 3.41Å; D284-M288 PolarHBondContact O-N 2.96Å; E286-M288 VanDerWaalsContact C-N 3.34Å
289	E	93.6	Very high	93.1	Very high	44 Å²	44	58.3 Å²	58.3	21%	0.206	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	158.2	179.6	72.9	-166.5	175.8	0	0	111.3	R237 K260 D284 M287	R237-E289 IonicContact CZ-OE1 3.23Å; R237-E289 IonicContact CZ-OE2 3.24Å; R237-E289 IonicContact NE-OE1 2.83Å; R237-E289 PolarHBondContact NE-OE1 3.3Å; R237-E289 IonicContact NE-OE2 2.87Å; R237-E289 PolarHBondContact NE-OE2 3.37Å; R237-E289 IonicContact NH2-OE1 2.73Å; R237-E289 PolarHBondContact NH2-OE1 3.19Å; R237-E289 IonicContact NH2-OE2 3.95Å; K260-E289 HydrophobicContact CD-CB 4.14Å; K260-E289 WeakPolarHBondContact CD-OE2 3.17Å; K260-E289 WeakPolarHBondContact CE-OE2 3.44Å; K260-E289 IonicContact NZ-OE1 2.74Å; K260-E289 IonicContact NZ-OE2 3.72Å; K260-E289 PolarHBondContact NZ-OE2 3.08Å; D284-E289 WeakPolarHBondContact CB-O 3.43Å; D284-E289 PolarHBondContact N-O 2.94Å; D284-E289 PolarHBondContact O-N 3.06Å; M287-E289 HydrophobicContact CB-CG 3.9Å; M287-E289 PolarHBondContact O-N 2.91Å; M287-E289 VanDerWaalsContact O-N 3.16Å
290	P	95.4	Very high	93.1	Very high	54 Å²	54	59.8 Å²	59.8	35%	0.351	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-69.8	165.5	-18	32.4	-35.8	0	0	0	111.7	D263 F282 G283 I292	D263-P290 HydrophobicContact CB-CB 4.48Å; D263-P290 HydrophobicContact CB-CG 4.27Å; F282-P290 CarbonylContact C-O 3.55Å; F282-P290 WeakPolarHBondContact CA-O 3.33Å; G283-P290 PolarHBondContact N-O 2.94Å; P290-I292 HydrophobicContact CG-CG2 4.24Å; P290-I292 PolarHBondContact O-N 2.82Å
291	I	96.4	Very high	93.2	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	119.1	172.6	-65.5	172.2	0	0	0	108.7	K260 L261 S262 D263 C269 A274 V280 F282 L294	K260-I291 HydrophobicContact CB-CD1 3.9Å; K260-I291 HydrophobicContact CB-CG1 4.19Å; L261-I291 PolarHBondContact O-N 3.5Å; S262-I291 CarbonylContact C-O 3.54Å; S262-I291 WeakPolarHBondContact CA-O 3.47Å; S262-I291 VanDerWaalsContact CB-O 3.22Å; S262-I291 WeakPolarHBondContact CB-O 3.3Å; D263-I291 PolarHBondContact N-O 2.92Å; C269-I291 HydrophobicContact CB-CD1 3.47Å; C269-I291 VanDerWaalsContact CB-CD1 3.47Å; C269-I291 HydrophobicContact CB-CG2 4.31Å; C269-I291 WeakPolarHBondContact O-CD1 3.09Å; A274-I291 HydrophobicContact CB-CD1 3.92Å; A274-I291 HydrophobicContact CB-CG1 4.08Å; A274-I291 HydrophobicContact CB-CG2 3.93Å; V280-I291 HydrophobicContact CG1-CG2 3.56Å; F282-I291 HydrophobicContact CD1-CG1 4.06Å; F282-I291 HydrophobicContact CE1-CD1 4.48Å; F282-I291 HydrophobicContact CE1-CG1 3.94Å; I291-L294 HydrophobicContact CG2-CD2 3.97Å; I291-L294 HydrophobicContact CG2-CG 4.2Å
292	I	95.6	Very high	93.3	Very high	37 Å²	37	64.5 Å²	64.5	19%	0.19	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	167.8	-173.5	60.2	165.7	0	0	0	111.9	D263 G281 P290 L294	D263-I292 HydrophobicContact CB-CG2 3.95Å; G281-I292 PolarHBondContact N-O 2.86Å; G281-I292 WeakPolarHBondContact O-CG1 3.31Å; G281-I292 PolarHBondContact O-N 2.78Å; P290-I292 HydrophobicContact CG-CG2 4.24Å; P290-I292 PolarHBondContact O-N 2.82Å; I292-L294 VanDerWaalsContact C-N 3.27Å; I292-L294 PolarHBondContact O-N 3.04Å
293	K	93.7	Very high	93.3	Very high	112 Å²	112	67 Å²	67	49%	0.487	36%	0.364	S	S	.	.			trans	63.4	23.4	171.1	-59.1	178.2	179.5	174	0	114.9	E279 D295 N296	E279-K293 WeakPolarHBondContact O-CB 3.38Å; K293-D295 PolarHBondContact O-N 3.38Å; K293-N296 HydrophobicContact CB-CB 4.25Å; K293-N296 WeakPolarHBondContact O-CB 3.36Å; K293-N296 PolarHBondContact O-N 3.37Å
294	L	93.3	Very high	93.6	Very high	15 Å²	15	66.5 Å²	66.5	8%	0.079	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-58.5	-33.6	174.4	-69	179.5	0	0	0	112.8	L251 S262 R267 V280 I291 I292 N296 I297	L251-L294 HydrophobicContact CD1-CD2 4.2Å; L251-L294 HydrophobicContact CD2-CD2 3.82Å; L251-L294 HydrophobicContact CG-CD2 4.11Å; S262-L294 VanDerWaalsContact CB-CD1 3.5Å; R267-L294 HydrophobicContact CB-CD1 4.44Å; V280-L294 HydrophobicContact CG1-CD2 4.03Å; V280-L294 HydrophobicContact CG2-CD2 3.97Å; I291-L294 HydrophobicContact CG2-CD2 3.97Å; I291-L294 HydrophobicContact CG2-CG 4.2Å; I292-L294 VanDerWaalsContact C-N 3.27Å; I292-L294 PolarHBondContact O-N 3.04Å; L294-N296 VanDerWaalsContact C-N 3.28Å; L294-N296 PolarHBondContact O-N 3.35Å; L294-I297 HydrophobicContact CD2-CD1 4.38Å; L294-I297 WeakPolarHBondContact O-CD1 3.4Å; L294-I297 VanDerWaalsContact O-CG1 3.27Å; L294-I297 WeakPolarHBondContact O-CG1 3.49Å; L294-I297 PolarHBondContact O-N 3.42Å
295	D	91.7	Very high	93.8	Very high	115 Å²	115	66.4 Å²	66.4	62%	0.615	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-73.8	-19.1	179	-64.4	-37.8	0	0	0	113.2	R267 K293 I297	R267-D295 IonicContact NH1-OD1 3.31Å; K293-D295 PolarHBondContact O-N 3.38Å; D295-I297 PolarHBondContact O-N 3.42Å
296	N	93.2	Very high	94.2	Very high	108 Å²	108	61.1 Å²	61.1	58%	0.578	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-76.9	-5.7	178.5	-67.8	-16.2	0	0	0	113.1	K293 L294 P298	K293-N296 HydrophobicContact CB-CB 4.25Å; K293-N296 WeakPolarHBondContact O-CB 3.36Å; K293-N296 PolarHBondContact O-N 3.37Å; L294-N296 VanDerWaalsContact C-N 3.28Å; L294-N296 PolarHBondContact O-N 3.35Å; N296-P298 WeakPolarHBondContact O-CD 3.41Å
297	I	94.2	Very high	94.4	Very high	7 Å²	7	56.4 Å²	56.4	4%	0.036	30%	0.298	C	S	.	.	S	Bend	trans	-68.9	118.7	-179.8	-58.1	169.5	0	0	0	109.2	L251 V277 E279 V280 L294 D295 R301 R302 A315	L251-I297 HydrophobicContact CD2-CD1 3.34Å; V277-I297 HydrophobicContact CG1-CD1 4.47Å; E279-I297 HydrophobicContact CB-CG1 4.33Å; V280-I297 HydrophobicContact CG2-CD1 3.6Å; V280-I297 HydrophobicContact CG2-CG1 3.85Å; L294-I297 HydrophobicContact CD2-CD1 4.38Å; L294-I297 WeakPolarHBondContact O-CD1 3.4Å; L294-I297 VanDerWaalsContact O-CG1 3.27Å; L294-I297 WeakPolarHBondContact O-CG1 3.49Å; L294-I297 PolarHBondContact O-N 3.42Å; D295-I297 PolarHBondContact O-N 3.42Å; I297-R301 HydrophobicContact CG2-CB 4.26Å; I297-R302 HydrophobicContact CG2-CG 3.91Å; I297-R302 PolarHBondContact O-NE 3.46Å; I297-R302 VanDerWaalsContact O-NE 3.09Å; I297-R302 PolarHBondContact O-NH2 2.88Å; I297-A315 HydrophobicContact CD1-CB 4.14Å; I297-A315 HydrophobicContact CG2-CB 3.95Å
298	P	95.4	Very high	94.6	Very high	57 Å²	57	56.6 Å²	56.6	37%	0.37	30%	0.3	S	S	.	.			trans	-64.6	143.1	-176.4	25.6	-34.2	0	0	0	111.3	N296 A300 R301 R302	N296-P298 WeakPolarHBondContact O-CD 3.41Å; P298-A300 PolarHBondContact O-N 3.1Å; P298-A300 VanDerWaalsContact O-N 3.1Å; P298-R301 HydrophobicContact CG-CB 4.22Å; P298-R301 PolarHBondContact O-N 3Å; P298-R302 PolarHBondContact O-N 2.91Å
299	Q	94.3	Very high	94.7	Very high	102 Å²	102	57.5 Å²	57.5	48%	0.477	31%	0.309	S	S	.	.	H	α-helix	trans	-58.5	-28.8	179.1	-166.9	60.8	44.4	0	0	112.2	R301 R302 N303	Q299-R301 VanDerWaalsContact C-N 3.31Å; Q299-R301 PolarHBondContact O-N 3.3Å; Q299-R302 PolarHBondContact O-N 2.9Å; Q299-N303 PolarHBondContact NE2-OD1 3.34Å; Q299-N303 WeakPolarHBondContact O-CB 3.18Å; Q299-N303 PolarHBondContact O-N 3.35Å; Q299-N303 PolarHBondContact O-ND2 3.35Å
300	A	94.3	Very high	94.8	Very high	78 Å²	78	63.7 Å²	63.7	65%	0.645	33%	0.331	S	S	*	.	H	α-helix	trans	-56.6	-41.2	173.7	0	0	0	0	0	112.7	P298	P298-A300 PolarHBondContact O-N 3.1Å; P298-A300 VanDerWaalsContact O-N 3.1Å
301	R	95.2	Very high	94.7	Very high	39 Å²	39	63 Å²	63	15%	0.147	33%	0.327	C	S	.	.	H	α-helix	trans	-72.5	-44.8	176.8	-173.8	-179.7	-61.4	-71.5	-0.7	111.2	E279 I297 P298 Q299 N303 L304 A315 P316	E279-R301 VanDerWaalsContact CD-NE 3.34Å; E279-R301 IonicContact OE1-CZ 3.45Å; E279-R301 VanDerWaalsContact OE1-CZ 3.31Å; E279-R301 IonicContact OE1-NE 3.9Å; E279-R301 PolarHBondContact OE1-NE 2.89Å; E279-R301 IonicContact OE1-NH2 3.69Å; E279-R301 PolarHBondContact OE1-NH2 3.06Å; E279-R301 IonicContact OE2-CZ 3.62Å; E279-R301 IonicContact OE2-NE 2.7Å; E279-R301 PolarHBondContact OE2-NE 2.79Å; E279-R301 IonicContact OE2-NH2 2.82Å; I297-R301 HydrophobicContact CG2-CB 4.26Å; P298-R301 HydrophobicContact CG-CB 4.22Å; P298-R301 PolarHBondContact O-N 3Å; Q299-R301 VanDerWaalsContact C-N 3.31Å; Q299-R301 PolarHBondContact O-N 3.3Å; R301-N303 PolarHBondContact O-N 3.26Å; R301-L304 HydrophobicContact CG-CD1 4.23Å; R301-L304 VanDerWaalsContact O-CB 3.27Å; R301-L304 WeakPolarHBondContact O-CB 3.45Å; R301-L304 WeakPolarHBondContact O-CG 3.25Å; R301-L304 PolarHBondContact O-N 3.26Å; R301-A315 HydrophobicContact CG-CB 4.38Å; R301-P316 VanDerWaalsContact CG-O 3.28Å; R301-P316 WeakPolarHBondContact CG-O 3.1Å
302	R	95.2	Very high	94.5	Very high	94 Å²	94	70.1 Å²	70.1	36%	0.355	35%	0.354	S	S	.	.	H	α-helix	trans	-60.2	-29.5	177.6	-68.2	-170.4	-106.6	168.2	-9.9	113	I297 P298 Q299 L304 R312 G314	I297-R302 HydrophobicContact CG2-CG 3.91Å; I297-R302 PolarHBondContact O-NE 3.46Å; I297-R302 VanDerWaalsContact O-NE 3.09Å; I297-R302 PolarHBondContact O-NH2 2.88Å; P298-R302 PolarHBondContact O-N 2.91Å; Q299-R302 PolarHBondContact O-N 2.9Å; R302-L304 VanDerWaalsContact C-N 3.3Å; R302-L304 PolarHBondContact O-N 2.91Å; R302-R312 VanDerWaalsContact O-O 3.07Å; R302-G314 WeakPolarHBondContact CA-O 2.94Å
303	N	94.8	Very high	94.5	Very high	84 Å²	84	72.8 Å²	72.8	45%	0.449	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-6.8	178.1	-71.7	-9.4	0	0	0	114	Q299 R301 R312	Q299-N303 PolarHBondContact NE2-OD1 3.34Å; Q299-N303 WeakPolarHBondContact O-CB 3.18Å; Q299-N303 PolarHBondContact O-N 3.35Å; Q299-N303 PolarHBondContact O-ND2 3.35Å; R301-N303 PolarHBondContact O-N 3.26Å; N303-R312 PolarHBondContact O-NH1 2.74Å
304	L	95.9	Very high	94.5	Very high	36 Å²	36	68.3 Å²	68.3	19%	0.188	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-65.8	145	178.8	-65.3	173.9	0	0	0	110.9	R301 R302 P316 Q318 A327	R301-L304 HydrophobicContact CG-CD1 4.23Å; R301-L304 VanDerWaalsContact O-CB 3.27Å; R301-L304 WeakPolarHBondContact O-CB 3.45Å; R301-L304 WeakPolarHBondContact O-CG 3.25Å; R301-L304 PolarHBondContact O-N 3.26Å; R302-L304 VanDerWaalsContact C-N 3.3Å; R302-L304 PolarHBondContact O-N 2.91Å; L304-P316 HydrophobicContact CB-CB 4.16Å; L304-P316 HydrophobicContact CB-CG 4.19Å; L304-Q318 HydrophobicContact CD1-CG 3.64Å; L304-A327 HydrophobicContact CB-CB 3.85Å; L304-A327 HydrophobicContact CD1-CB 4Å; L304-A327 HydrophobicContact CG-CB 4.36Å
305	L	96.5	Very high	94.6	Very high	70 Å²	70	67.7 Å²	67.7	37%	0.366	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-96.9	123.5	176.9	-172.9	71.4	0	0	0	109.4	S307 R310 R312	L305-S307 PolarHBondContact O-N 3.48Å; L305-R310 VanDerWaalsContact CD1-O 3.28Å; L305-R310 WeakPolarHBondContact CD1-O 3.39Å; L305-R312 HydrophobicContact CB-CG 4.44Å; L305-R312 HydrophobicContact CD1-CG 3.63Å
306	C	97.7	Very high	94.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-65.3	124.8	172.7	177.7	0	0	0	0	110.5	I308 R310 S311 H329	C306-I308 PolarHBondContact O-N 3.07Å; C306-R310 WeakPolarHBondContact O-CA 3.35Å; C306-R310 PolarHBondContact O-N 2.86Å; C306-S311 WeakPolarHBondContact CB-O 3.46Å; C306-S311 PolarHBondContact N-O 3.48Å; C306-H329 VanDerWaalsContact CB-CE1 3.44Å; C306-H329 WeakPolarHBondContact CB-CE1 3.48Å; C306-H329 VanDerWaalsContact CB-ND1 3.31Å; C306-H329 WeakPolarHBondContact CB-ND1 3.41Å; C306-H329 PolarHBondContact SG-N 3.4Å; C306-H329 VanDerWaalsContact SG-N 3.39Å; C306-H329 PolarHBondContact SG-ND1 3.4Å
307	S	94.7	Very high	95	Very high	39 Å²	39	57.6 Å²	57.6	27%	0.273	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.5	-179.9	53.9	0	0	0	0	114.2	L305 R310 A327	L305-S307 PolarHBondContact O-N 3.48Å; S307-R310 PolarHBondContact O-NE 3.08Å; S307-R310 PolarHBondContact O-NH1 3.05Å; S307-R310 PolarHBondContact O-NH2 3.42Å; S307-A327 WeakPolarHBondContact CB-O 3.42Å; S307-A327 PolarHBondContact N-O 3.45Å; S307-A327 PolarHBondContact OG-O 2.74Å
308	I	94.4	Very high	95	Very high	62 Å²	62	61.3 Å²	61.3	32%	0.318	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-67.7	-178.1	-55.4	169.5	0	0	0	109.6	C306 R310 F328 C332 S336 L338	C306-I308 PolarHBondContact O-N 3.07Å; I308-R310 PolarHBondContact O-N 2.97Å; I308-F328 HydrophobicContact CD1-CB 3.95Å; I308-F328 HydrophobicContact CG1-CB 4.3Å; I308-C332 HydrophobicContact CB-CB 4.07Å; I308-C332 HydrophobicContact CD1-CB 3.79Å; I308-C332 WeakPolarHBondContact CD1-O 3.32Å; I308-C332 HydrophobicContact CG2-CB 4.14Å; I308-S336 WeakPolarHBondContact CG2-OG 3.37Å; I308-L338 HydrophobicContact CD1-CD1 3.91Å
309	C	94.1	Very high	95	Very high	54 Å²	54	59 Å²	59	37%	0.365	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.7	-177.6	74.6	0	0	0	0	114.8	S311 H329	C309-S311 PolarHBondContact O-N 2.97Å; C309-S311 VanDerWaalsContact O-N 3.12Å; C309-S311 VanDerWaalsContact SG-CB 3.6Å; C309-H329 VanDerWaalsContact SG-CE1 3.57Å; C309-H329 PolarHBondContact SG-ND1 2.89Å
310	R	94.1	Very high	94.9	Very high	175 Å²	175	57 Å²	57	66%	0.66	29%	0.291	S	S	*	.			trans	57.1	24.3	-178.5	-51.6	-62.5	-179.7	-175.7	-2.9	114.7	L305 C306 S307 I308	L305-R310 VanDerWaalsContact CD1-O 3.28Å; L305-R310 WeakPolarHBondContact CD1-O 3.39Å; C306-R310 WeakPolarHBondContact O-CA 3.35Å; C306-R310 PolarHBondContact O-N 2.86Å; S307-R310 PolarHBondContact O-NE 3.08Å; S307-R310 PolarHBondContact O-NH1 3.05Å; S307-R310 PolarHBondContact O-NH2 3.42Å; I308-R310 PolarHBondContact O-N 2.97Å
311	S	93.5	Very high	94.9	Very high	38 Å²	38	55 Å²	55	27%	0.266	27%	0.272	S	S	.	.			trans	-104	148.1	175.4	-176.6	0	0	0	0	112.2	C306 C309 Y313	C306-S311 WeakPolarHBondContact CB-O 3.46Å; C306-S311 PolarHBondContact N-O 3.48Å; C309-S311 PolarHBondContact O-N 2.97Å; C309-S311 VanDerWaalsContact O-N 3.12Å; C309-S311 VanDerWaalsContact SG-CB 3.6Å; S311-Y313 VanDerWaalsContact OG-CB 3.3Å; S311-Y313 WeakPolarHBondContact OG-CB 3.4Å; S311-Y313 PolarHBondContact OG-N 2.86Å; S311-Y313 VanDerWaalsContact OG-N 3.13Å
312	R	93.5	Very high	94.6	Very high	151 Å²	151	60.2 Å²	60.2	57%	0.57	31%	0.308	S	S	*	.			trans	-97	7.8	170.5	-59	-176.7	-171.2	-96.5	3.3	112.7	R302 N303 L305	R302-R312 VanDerWaalsContact O-O 3.07Å; N303-R312 PolarHBondContact O-NH1 2.74Å; L305-R312 HydrophobicContact CB-CG 4.44Å; L305-R312 HydrophobicContact CD1-CG 3.63Å
313	Y	94.3	Very high	94.3	Very high	93 Å²	93	65.4 Å²	65.4	37%	0.365	33%	0.333	S	S	.	.			trans	-66	140.6	-179.4	179.9	-82	0	0	0	111.1	C249 C252 P253 S311 H329	C249-Y313 WeakPolarHBondContact O-CE1 3.44Å; C249-Y313 PolarHBondContact O-OH 3.01Å; C252-Y313 WeakPolarHBondContact O-CE1 3.36Å; P253-Y313 HydrophobicContact CB-CD1 3.98Å; P253-Y313 HydrophobicContact CB-CG 4.25Å; P253-Y313 VanDerWaalsContact N-CD1 3.3Å; S311-Y313 VanDerWaalsContact OG-CB 3.3Å; S311-Y313 WeakPolarHBondContact OG-CB 3.4Å; S311-Y313 PolarHBondContact OG-N 2.86Å; S311-Y313 VanDerWaalsContact OG-N 3.13Å; Y313-H329 PolarHBondContact O-NE2 2.88Å
314	G	94.5	Very high	94.4	Very high	17 Å²	17	62.4 Å²	62.4	18%	0.175	32%	0.318	C	S	.	.	S	Bend	trans	71.7	-140.6	174.6	0	0	0	0	0	114.2	S250 L251 R302	S250-G314 WeakPolarHBondContact O-CA 3.36Å; L251-G314 CarbonylContact O-C 3.53Å; L251-G314 WeakPolarHBondContact O-CA 3.36Å; R302-G314 WeakPolarHBondContact CA-O 2.94Å
315	A	95.8	Very high	94.3	Very high	3 Å²	3	69.3 Å²	69.3	3%	0.025	35%	0.347	C	S	.	.			trans	-132.5	85.4	-172.9	0	0	0	0	0	112	L251 V277 I297 R301	L251-A315 HydrophobicContact CD2-CB 3.91Å; L251-A315 PolarHBondContact O-N 3.16Å; V277-A315 HydrophobicContact CG1-CB 4.4Å; V277-A315 HydrophobicContact CG2-CB 4.34Å; I297-A315 HydrophobicContact CD1-CB 4.14Å; I297-A315 HydrophobicContact CG2-CB 3.95Å; R301-A315 HydrophobicContact CG-CB 4.38Å
316	P	96.5	Very high	94.2	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-61.7	144.4	175.3	-23.3	34.2	0	0	0	113.5	R301 L304 A327 F328	R301-P316 VanDerWaalsContact CG-O 3.28Å; R301-P316 WeakPolarHBondContact CG-O 3.1Å; L304-P316 HydrophobicContact CB-CB 4.16Å; L304-P316 HydrophobicContact CB-CG 4.19Å; P316-A327 HydrophobicContact CB-CB 4Å; P316-F328 WeakPolarHBondContact CA-O 3.36Å
317	V	95.3	Very high	94.2	Very high	11 Å²	11	68.7 Å²	68.7	7%	0.067	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	151	171.5	-63.6	0	0	0	0	110.3	W276 V277 A327 F328 V330	W276-V317 WeakPolarHBondContact O-CG1 3.14Å; V277-V317 HydrophobicContact CG2-CG1 4.18Å; V317-A327 CarbonylContact O-C 3.58Å; V317-A327 WeakPolarHBondContact O-CA 3.22Å; V317-F328 HydrophobicContact CG2-CD2 3.91Å; V317-F328 HydrophobicContact CG2-CE2 3.73Å; V317-F328 WeakPolarHBondContact CG2-O 3.1Å; V317-F328 PolarHBondContact N-O 3.49Å; V317-F328 PolarHBondContact O-N 3.37Å; V317-V330 HydrophobicContact CG1-CG2 3.84Å; V317-V330 HydrophobicContact CG2-CG2 3.94Å
318	Q	94.8	Very high	94.3	Very high	85 Å²	85	66.9 Å²	66.9	40%	0.397	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	150.1	179.3	-65.7	-177.1	-72.6	0	0	110.6	L304 S320 A327	L304-Q318 HydrophobicContact CD1-CG 3.64Å; Q318-S320 PolarHBondContact O-N 3.03Å; Q318-A327 HydrophobicContact CG-CB 4.19Å
319	C	96.3	Very high	94.5	Very high	8 Å²	8	64 Å²	64	5%	0.054	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-58.1	129.4	174.9	179.1	0	0	0	0	111.2	S321 C324 T326 F328 G353 C355 H358	C319-S321 PolarHBondContact O-N 3.01Å; C319-C324 HydrophobicContact CB-CB 3.94Å; C319-T326 WeakPolarHBondContact CB-OG1 3.42Å; C319-T326 PolarHBondContact N-O 2.77Å; C319-F328 HydrophobicContact CB-CE1 4.24Å; C319-G353 CarbonylContact C-O 3.19Å; C319-G353 VanDerWaalsContact CA-O 3.32Å; C319-G353 WeakPolarHBondContact CA-O 3.47Å; C319-C355 HydrophobicContact CB-CB 4.04Å; C319-C355 PolarHBondContact SG-N 2.89Å; C319-C355 VanDerWaalsContact SG-N 3.35Å; C319-H358 PolarHBondContact SG-ND1 2.81Å; C319-H358 VanDerWaalsContact SG-ND1 3.42Å
320	S	92.8	Very high	94.5	Very high	60 Å²	60	61.5 Å²	61.5	42%	0.42	30%	0.302	S	S	.	.	S	Bend	trans	-71	-12.1	-177.8	-53.1	0	0	0	0	114.4	Q318 V322 G353	Q318-S320 PolarHBondContact O-N 3.03Å; S320-V322 PolarHBondContact O-N 3.26Å; S320-G353 PolarHBondContact N-O 3.48Å; S320-G353 PolarHBondContact OG-N 2.89Å; S320-G353 VanDerWaalsContact OG-N 3.1Å; S320-G353 PolarHBondContact OG-O 3.12Å
321	S	92.7	Very high	94.4	Very high	35 Å²	35	53.7 Å²	53.7	25%	0.245	27%	0.274	C	S	.	.	S	Bend	trans	-60.8	124.5	172.4	173.2	0	0	0	0	111.1	C319 K323 C324 H358	C319-S321 PolarHBondContact O-N 3.01Å; S321-K323 PolarHBondContact O-N 3.26Å; S321-C324 WeakPolarHBondContact O-CB 3.27Å; S321-C324 PolarHBondContact O-N 3Å; S321-H358 PolarHBondContact OG-CE1 3.43Å; S321-H358 PolarHBondContact OG-NE2 2.87Å
322	V	88.5	Confident	94.4	Very high	149 Å²	149	52 Å²	52	90%	0.903	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-37.1	-168.8	-179.1	0	0	0	0	114.5	S320	S320-V322 PolarHBondContact O-N 3.26Å
323	K	90.3	Very high	94.4	Very high	203 Å²	203	44.8 Å²	44.8	88%	0.883	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	6.2	-178	-63.3	-176.1	-179.1	178.8	0	113.7	S321	S321-K323 PolarHBondContact O-N 3.26Å
324	C	95.7	Very high	94	Very high	21 Å²	21	41.5 Å²	41.5	14%	0.142	22%	0.222	C	C	.	.			trans	-108.1	114.5	-170.9	-159.2	0	0	0	0	112.6	C319 S321 T326 C355 H358	C319-C324 HydrophobicContact CB-CB 3.94Å; S321-C324 WeakPolarHBondContact O-CB 3.27Å; S321-C324 PolarHBondContact O-N 3Å; C324-T326 PolarHBondContact SG-OG1 3.07Å; C324-C355 VanDerWaalsContact SG-SG 3.65Å; C324-H358 VanDerWaalsContact CB-CE1 3.41Å; C324-H358 WeakPolarHBondContact CB-CE1 3.21Å; C324-H358 PolarHBondContact SG-CE1 3.39Å
325	K	93.5	Very high	93.6	Very high	182 Å²	182	46.8 Å²	46.8	79%	0.791	24%	0.243	S	C	*	.			trans	-96.4	9.9	177.4	-60.2	-175.3	179.9	-177.2	0	113.9	A327	K325-A327 PolarHBondContact O-N 3.31Å
326	T	96.3	Very high	93.2	Very high	52 Å²	52	48.6 Å²	48.6	32%	0.319	26%	0.255	S	S	.	.			trans	-67.7	132.1	-179.6	56.1	0	0	0	0	110.2	C319 C324 C355	C319-T326 WeakPolarHBondContact CB-OG1 3.42Å; C319-T326 PolarHBondContact N-O 2.77Å; C324-T326 PolarHBondContact SG-OG1 3.07Å; T326-C355 WeakPolarHBondContact OG1-CB 3.14Å; T326-C355 PolarHBondContact OG1-SG 2.79Å; T326-C355 VanDerWaalsContact OG1-SG 3.35Å
327	A	96.8	Very high	92.7	Very high	5 Å²	5	54.1 Å²	54.1	4%	0.041	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	155.9	177.8	0	0	0	0	0	112	L304 S307 P316 V317 Q318 K325	L304-A327 HydrophobicContact CB-CB 3.85Å; L304-A327 HydrophobicContact CD1-CB 4Å; L304-A327 HydrophobicContact CG-CB 4.36Å; S307-A327 WeakPolarHBondContact CB-O 3.42Å; S307-A327 PolarHBondContact N-O 3.45Å; S307-A327 PolarHBondContact OG-O 2.74Å; P316-A327 HydrophobicContact CB-CB 4Å; V317-A327 CarbonylContact O-C 3.58Å; V317-A327 WeakPolarHBondContact O-CA 3.22Å; Q318-A327 HydrophobicContact CG-CB 4.19Å; K325-A327 PolarHBondContact O-N 3.31Å
328	F	97.7	Very high	92.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	156.4	176.3	46.5	-97.9	0	0	0	110.4	I308 P316 V317 C319 A333 L338 M340 C355	I308-F328 HydrophobicContact CD1-CB 3.95Å; I308-F328 HydrophobicContact CG1-CB 4.3Å; P316-F328 WeakPolarHBondContact CA-O 3.36Å; V317-F328 HydrophobicContact CG2-CD2 3.91Å; V317-F328 HydrophobicContact CG2-CE2 3.73Å; V317-F328 WeakPolarHBondContact CG2-O 3.1Å; V317-F328 PolarHBondContact N-O 3.49Å; V317-F328 PolarHBondContact O-N 3.37Å; C319-F328 HydrophobicContact CB-CE1 4.24Å; F328-A333 HydrophobicContact CD2-CB 3.56Å; F328-A333 HydrophobicContact CE2-CB 3.68Å; F328-L338 HydrophobicContact CD1-CD1 4.46Å; F328-L338 HydrophobicContact CG-CD1 4.46Å; F328-M340 HydrophobicContact CE2-CE 4.35Å; F328-M340 HydrophobicContact CE2-SD 3.94Å; F328-M340 HydrophobicContact CZ-SD 4.42Å; F328-C355 HydrophobicContact CD1-CB 4.22Å; F328-C355 HydrophobicContact CE1-CB 3.86Å
329	H	97.2	Very high	92	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.273	C	S	.	.			trans	-73.9	145	170.3	-61	106.8	0	0	0	110.3	C252 P253 C306 C309 Y313 T331 C332 A333	C252-H329 HydrophobicContact CB-CB 3.93Å; P253-H329 WeakPolarHBondContact CD-CE1 3.26Å; C306-H329 VanDerWaalsContact CB-CE1 3.44Å; C306-H329 WeakPolarHBondContact CB-CE1 3.48Å; C306-H329 VanDerWaalsContact CB-ND1 3.31Å; C306-H329 WeakPolarHBondContact CB-ND1 3.41Å; C306-H329 PolarHBondContact SG-N 3.4Å; C306-H329 VanDerWaalsContact SG-N 3.39Å; C306-H329 PolarHBondContact SG-ND1 3.4Å; C309-H329 VanDerWaalsContact SG-CE1 3.57Å; C309-H329 PolarHBondContact SG-ND1 2.89Å; Y313-H329 PolarHBondContact O-NE2 2.88Å; H329-T331 VanDerWaalsContact C-N 3.34Å; H329-T331 PolarHBondContact O-N 2.92Å; H329-C332 HydrophobicContact CB-CB 4Å; H329-C332 PolarHBondContact O-N 2.92Å; H329-C332 VanDerWaalsContact O-N 3.16Å; H329-A333 PolarHBondContact O-N 2.85Å
330	V	93.8	Very high	91.5	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-56.5	-49.5	179.5	179.8	0	0	0	0	110.6	W276 V317 C332 A333 F334 M340	W276-V330 HydrophobicContact CB-CB 4.3Å; W276-V330 HydrophobicContact CB-CG1 3.82Å; W276-V330 HydrophobicContact CB-CG2 3.47Å; W276-V330 VanDerWaalsContact CB-CG2 3.47Å; W276-V330 HydrophobicContact CD2-CG1 4.26Å; W276-V330 HydrophobicContact CG-CG1 3.65Å; W276-V330 HydrophobicContact CG-CG2 4.18Å; V317-V330 HydrophobicContact CG1-CG2 3.84Å; V317-V330 HydrophobicContact CG2-CG2 3.94Å; V330-C332 PolarHBondContact O-N 2.67Å; V330-A333 VanDerWaalsContact O-CB 3.3Å; V330-A333 WeakPolarHBondContact O-CB 3.47Å; V330-A333 PolarHBondContact O-N 3.45Å; V330-A333 VanDerWaalsContact O-N 3.12Å; V330-F334 HydrophobicContact CG1-CD2 4.18Å; V330-F334 HydrophobicContact CG1-CE2 3.58Å; V330-F334 HydrophobicContact CG1-CZ 3.84Å; V330-F334 WeakPolarHBondContact O-CG 3.36Å; V330-F334 PolarHBondContact O-N 2.79Å; V330-M340 HydrophobicContact CG1-CE 4.35Å
331	T	92.1	Very high	91.1	Very high	11 Å²	11	54.2 Å²	54.2	7%	0.067	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-35.8	177.4	46.7	0	0	0	0	113.2	C252 N254 H329 A333 F334 Q335	C252-T331 PolarHBondContact SG-OG1 3.08Å; N254-T331 WeakPolarHBondContact ND2-CB 3.34Å; N254-T331 PolarHBondContact ND2-OG1 3.49Å; H329-T331 VanDerWaalsContact C-N 3.34Å; H329-T331 PolarHBondContact O-N 2.92Å; T331-A333 VanDerWaalsContact C-N 3.3Å; T331-A333 PolarHBondContact O-N 2.86Å; T331-F334 PolarHBondContact O-N 3.48Å; T331-Q335 WeakPolarHBondContact O-CB 3.44Å; T331-Q335 VanDerWaalsContact O-CG 3.24Å; T331-Q335 WeakPolarHBondContact O-CG 3.32Å; T331-Q335 PolarHBondContact O-N 3.26Å
332	C	94.2	Very high	90.5	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.02	30%	0.295	C	S	.	.	H	α-helix	trans	-65.2	-35.7	172	-68.5	0	0	0	0	112	N254 I308 H329 V330 S336	N254-C332 PolarHBondContact ND2-SG 3.39Å; I308-C332 HydrophobicContact CB-CB 4.07Å; I308-C332 HydrophobicContact CD1-CB 3.79Å; I308-C332 WeakPolarHBondContact CD1-O 3.32Å; I308-C332 HydrophobicContact CG2-CB 4.14Å; H329-C332 HydrophobicContact CB-CB 4Å; H329-C332 PolarHBondContact O-N 2.92Å; H329-C332 VanDerWaalsContact O-N 3.16Å; V330-C332 PolarHBondContact O-N 2.67Å; C332-S336 WeakPolarHBondContact O-CB 3.21Å; C332-S336 PolarHBondContact O-N 3.49Å; C332-S336 PolarHBondContact O-OG 3.35Å
333	A	93.3	Very high	89.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-45.2	176.4	0	0	0	0	0	111.2	F328 H329 V330 T331 S336 N337 L338 M340	F328-A333 HydrophobicContact CD2-CB 3.56Å; F328-A333 HydrophobicContact CE2-CB 3.68Å; H329-A333 PolarHBondContact O-N 2.85Å; V330-A333 VanDerWaalsContact O-CB 3.3Å; V330-A333 WeakPolarHBondContact O-CB 3.47Å; V330-A333 PolarHBondContact O-N 3.45Å; V330-A333 VanDerWaalsContact O-N 3.12Å; T331-A333 VanDerWaalsContact C-N 3.3Å; T331-A333 PolarHBondContact O-N 2.86Å; A333-S336 CarbonylContact O-C 3.24Å; A333-S336 PolarHBondContact O-N 2.86Å; A333-N337 PolarHBondContact O-N 3.15Å; A333-N337 VanDerWaalsContact O-N 3.15Å; A333-L338 HydrophobicContact CB-CB 4.13Å; A333-L338 HydrophobicContact CB-CD1 3.94Å; A333-L338 HydrophobicContact CB-CG 4.31Å; A333-L338 PolarHBondContact O-N 3.29Å; A333-M340 HydrophobicContact CB-CE 4.13Å; A333-M340 HydrophobicContact CB-CG 4.11Å; A333-M340 HydrophobicContact CB-SD 3.81Å
334	F	86.7	Confident	89.3	Confident	24 Å²	24	52.1 Å²	52.1	11%	0.105	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-48.3	173.8	-65.8	-31.3	0	0	0	112.5	L199 W276 V330 T331 S336 N337 M340	L199-F334 HydrophobicContact CD1-CB 3.91Å; L199-F334 HydrophobicContact CD1-CD1 3.41Å; L199-F334 VanDerWaalsContact CD1-CD1 3.41Å; L199-F334 HydrophobicContact CD1-CD2 4.39Å; L199-F334 HydrophobicContact CD1-CE1 3.93Å; L199-F334 HydrophobicContact CD1-CG 3.68Å; L199-F334 HydrophobicContact CG-CD1 4.44Å; W276-F334 HydrophobicContact CZ2-CE1 4.44Å; W276-F334 HydrophobicContact CZ2-CZ 4.42Å; W276-F334 AromaticContact NE1-CZ 3.65Å; V330-F334 HydrophobicContact CG1-CD2 4.18Å; V330-F334 HydrophobicContact CG1-CE2 3.58Å; V330-F334 HydrophobicContact CG1-CZ 3.84Å; V330-F334 WeakPolarHBondContact O-CG 3.36Å; V330-F334 PolarHBondContact O-N 2.79Å; T331-F334 PolarHBondContact O-N 3.48Å; F334-S336 PolarHBondContact O-N 3.06Å; F334-N337 PolarHBondContact O-N 2.81Å; F334-N337 PolarHBondContact O-OD1 3.47Å; F334-M340 HydrophobicContact CD1-CB 4.12Å; F334-M340 HydrophobicContact CD1-CG 3.93Å; F334-M340 HydrophobicContact CE1-CB 3.66Å; F334-M340 HydrophobicContact CE1-CE 4.28Å; F334-M340 HydrophobicContact CE1-CG 3.85Å
335	Q	85.2	Confident	88.4	Confident	128 Å²	128	53.5 Å²	53.5	60%	0.598	27%	0.267	S	S	*	.	H	α-helix	trans	-61.6	-30.4	177.9	-72.7	169.5	-17.4	0	0	112.9	N254 T331 N337	N254-Q335 PolarHBondContact ND2-OE1 3.2Å; T331-Q335 WeakPolarHBondContact O-CB 3.44Å; T331-Q335 VanDerWaalsContact O-CG 3.24Å; T331-Q335 WeakPolarHBondContact O-CG 3.32Å; T331-Q335 PolarHBondContact O-N 3.26Å; Q335-N337 VanDerWaalsContact C-N 3.33Å
336	S	87.4	Confident	87.8	Confident	41 Å²	41	52.7 Å²	52.7	29%	0.287	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	10.9	177.7	-52	0	0	0	0	113.2	I308 C332 A333 F334 L338	I308-S336 WeakPolarHBondContact CG2-OG 3.37Å; C332-S336 WeakPolarHBondContact O-CB 3.21Å; C332-S336 PolarHBondContact O-N 3.49Å; C332-S336 PolarHBondContact O-OG 3.35Å; A333-S336 CarbonylContact O-C 3.24Å; A333-S336 PolarHBondContact O-N 2.86Å; F334-S336 PolarHBondContact O-N 3.06Å; S336-L338 PolarHBondContact O-N 3.43Å
337	N	85.6	Confident	86.7	Confident	115 Å²	115	59.7 Å²	59.7	62%	0.615	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	41.3	-179	-61.1	-43.7	0	0	0	113.6	A333 F334 Q335	A333-N337 PolarHBondContact O-N 3.15Å; A333-N337 VanDerWaalsContact O-N 3.15Å; F334-N337 PolarHBondContact O-N 2.81Å; F334-N337 PolarHBondContact O-OD1 3.47Å; Q335-N337 VanDerWaalsContact C-N 3.33Å
338	L	89.3	Confident	85.6	Confident	14 Å²	14	65.4 Å²	65.4	7%	0.073	33%	0.327	C	S	.	.			trans	-70.3	154.1	172.4	-61.9	-170.3	0	0	0	110.4	I308 F328 A333 S336 M340 W356	I308-L338 HydrophobicContact CD1-CD1 3.91Å; F328-L338 HydrophobicContact CD1-CD1 4.46Å; F328-L338 HydrophobicContact CG-CD1 4.46Å; A333-L338 HydrophobicContact CB-CB 4.13Å; A333-L338 HydrophobicContact CB-CD1 3.94Å; A333-L338 HydrophobicContact CB-CG 4.31Å; A333-L338 PolarHBondContact O-N 3.29Å; S336-L338 PolarHBondContact O-N 3.43Å; L338-M340 PolarHBondContact O-N 3.02Å; L338-W356 HydrophobicContact CD2-CB 4.15Å; L338-W356 HydrophobicContact CD2-CE3 3.88Å
339	V	87	Confident	84.7	Confident	26 Å²	26	69.5 Å²	69.5	16%	0.158	35%	0.352	C	S	.	.			trans	-68.5	109.4	174.7	177.5	0	0	0	0	108.2	L354 S359 Q363	V339-L354 HydrophobicContact CB-CB 4.38Å; V339-L354 HydrophobicContact CB-CD1 4.12Å; V339-L354 HydrophobicContact CG1-CD1 4.02Å; V339-L354 PolarHBondContact O-N 3.15Å; V339-S359 PolarHBondContact N-OG 2.9Å; V339-Q363 HydrophobicContact CG2-CG 3.95Å
340	M	84.8	Confident	84	Confident	32 Å²	32	75.6 Å²	75.6	16%	0.158	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	110.5	178	-61	-66.4	-75.1	0	0	106.7	W276 F328 V330 A333 F334 L338 I352 G353	W276-M340 HydrophobicContact CD2-CE 3.75Å; W276-M340 HydrophobicContact CE3-CE 3.38Å; W276-M340 HydrophobicContact CH2-CB 3.72Å; W276-M340 HydrophobicContact CH2-CE 3.68Å; W276-M340 HydrophobicContact CH2-SD 4.33Å; W276-M340 HydrophobicContact CZ2-CB 3.92Å; W276-M340 HydrophobicContact CZ2-CE 4Å; W276-M340 HydrophobicContact CZ3-CB 4.5Å; W276-M340 HydrophobicContact CZ3-CE 3.35Å; W276-M340 HydrophobicContact CZ3-SD 4.17Å; F328-M340 HydrophobicContact CE2-CE 4.35Å; F328-M340 HydrophobicContact CE2-SD 3.94Å; F328-M340 HydrophobicContact CZ-SD 4.42Å; V330-M340 HydrophobicContact CG1-CE 4.35Å; A333-M340 HydrophobicContact CB-CE 4.13Å; A333-M340 HydrophobicContact CB-CG 4.11Å; A333-M340 HydrophobicContact CB-SD 3.81Å; F334-M340 HydrophobicContact CD1-CB 4.12Å; F334-M340 HydrophobicContact CD1-CG 3.93Å; F334-M340 HydrophobicContact CE1-CB 3.66Å; F334-M340 HydrophobicContact CE1-CE 4.28Å; F334-M340 HydrophobicContact CE1-CG 3.85Å; L338-M340 PolarHBondContact O-N 3.02Å; M340-I352 WeakPolarHBondContact CA-O 3.44Å; M340-G353 WeakPolarHBondContact SD-CA 3.5Å
341	R	85.7	Confident	83.7	Confident	95 Å²	95	77.8 Å²	77.8	36%	0.358	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	158.4	-178.6	66.1	-178.1	-179.5	91.6	-1.8	112.4	E343 I352 E362	R341-E343 IonicContact CZ-OE1 3.31Å; R341-E343 IonicContact NH1-OE1 3.11Å; R341-E343 PolarHBondContact NH1-OE1 3.47Å; R341-E343 IonicContact NH2-OE1 3.49Å; R341-E343 PolarHBondContact NH2-OE1 3.06Å; R341-I352 HydrophobicContact CG-CB 4.24Å; R341-I352 PolarHBondContact N-O 2.89Å; R341-I352 PolarHBondContact O-N 3.02Å; R341-E362 IonicContact NE-OE1 3.86Å; R341-E362 IonicContact NH2-OE1 3.58Å
342	Q	78.9	Confident	83.5	Confident	139 Å²	139	78 Å²	78	65%	0.65	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	139.3	169.3	59.1	-174.1	-12.3	0	0	109.8	V349 L351	Q342-V349 HydrophobicContact CB-CG1 3.98Å; Q342-L351 HydrophobicContact CB-CD2 3.83Å
343	E	77.5	Confident	83.4	Confident	57 Å²	57	78 Å²	78	27%	0.266	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.6	177.3	-172.5	167.7	-107.5	0	0	109.1	R341 V345 R350 I352	R341-E343 IonicContact CZ-OE1 3.31Å; R341-E343 IonicContact NH1-OE1 3.11Å; R341-E343 PolarHBondContact NH1-OE1 3.47Å; R341-E343 IonicContact NH2-OE1 3.49Å; R341-E343 PolarHBondContact NH2-OE1 3.06Å; E343-V345 HydrophobicContact CG-CG2 4.19Å; E343-V345 PolarHBondContact O-N 2.92Å; E343-R350 PolarHBondContact N-O 3.42Å; E343-R350 PolarHBondContact O-N 2.94Å; E343-R350 IonicContact OE2-CZ 2.67Å; E343-R350 IonicContact OE2-NE 2.7Å; E343-R350 IonicContact OE2-NH2 3.42Å; E343-R350 PolarHBondContact OE2-NH2 2.96Å; E343-I352 HydrophobicContact CB-CD1 3.85Å; E343-I352 HydrophobicContact CG-CD1 4.5Å; E343-I352 WeakPolarHBondContact OE2-CD1 3.08Å
344	L	76.8	Confident	83.4	Confident	146 Å²	146	78.5 Å²	78.5	76%	0.764	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	113.2	174.5	-71.6	159.3	0	0	0	108.2	V349	L344-V349 HydrophobicContact CD2-CG2 3.76Å
345	V	77.2	Confident	83.8	Confident	51 Å²	51	77.6 Å²	77.6	31%	0.309	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.6	173.9	-176.4	0	0	0	0	107.4	E343 K347 D348 R350	E343-V345 HydrophobicContact CG-CG2 4.19Å; E343-V345 PolarHBondContact O-N 2.92Å; V345-K347 PolarHBondContact O-N 3.3Å; V345-D348 PolarHBondContact N-O 3.25Å; V345-D348 PolarHBondContact O-N 2.99Å; V345-D348 VanDerWaalsContact O-O 3.06Å; V345-R350 HydrophobicContact CG2-CB 4.44Å
346	D	81	Confident	84.1	Confident	165 Å²	165	78.4 Å²	78.4	88%	0.882	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	-98.1	-173.8	-55.9	-46	0	0	0	112.9
347	K	73.6	Confident	84.4	Confident	198 Å²	198	84 Å²	84	86%	0.861	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	1.8	178.2	-64.6	-173	179.1	-176.7	0	113.3	V345	V345-K347 PolarHBondContact O-N 3.3Å
348	D	73.2	Confident	84.8	Confident	125 Å²	125	80.7 Å²	80.7	67%	0.668	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.4	-176.3	-65.9	-29.9	0	0	0	110.8	V345	V345-D348 PolarHBondContact N-O 3.25Å; V345-D348 PolarHBondContact O-N 2.99Å; V345-D348 VanDerWaalsContact O-O 3.06Å
349	V	78.5	Confident	84.8	Confident	87 Å²	87	80.2 Å²	80.2	53%	0.527	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	118.6	175.1	-178.7	0	0	0	0	108.6	Q342 L344 L351	Q342-V349 HydrophobicContact CB-CG1 3.98Å; L344-V349 HydrophobicContact CD2-CG2 3.76Å; V349-L351 HydrophobicContact CG1-CD2 4.28Å
350	R	82.3	Confident	85	Confident	129 Å²	129	85 Å²	85	49%	0.487	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.4	173.7	-173.9	173.3	65.8	-166.2	0.1	110.4	E343 V345 I352	E343-R350 PolarHBondContact N-O 3.42Å; E343-R350 PolarHBondContact O-N 2.94Å; E343-R350 IonicContact OE2-CZ 2.67Å; E343-R350 IonicContact OE2-NE 2.7Å; E343-R350 IonicContact OE2-NH2 3.42Å; E343-R350 PolarHBondContact OE2-NH2 2.96Å; V345-R350 HydrophobicContact CG2-CB 4.44Å; R350-I352 HydrophobicContact CG-CG1 4.39Å
351	L	87	Confident	85.3	Confident	47 Å²	47	89.6 Å²	89.6	25%	0.246	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.1	174.6	-57.6	178.3	0	0	0	110.4	L275 W276 Q342 V349	L275-L351 HydrophobicContact CG-CD1 4.1Å; L275-L351 WeakPolarHBondContact O-CD1 3.35Å; W276-L351 HydrophobicContact CB-CD1 4.49Å; W276-L351 HydrophobicContact CD2-CB 4.3Å; W276-L351 HydrophobicContact CD2-CD1 4.06Å; W276-L351 HydrophobicContact CE3-CB 3.81Å; W276-L351 HydrophobicContact CE3-CD1 4.34Å; W276-L351 HydrophobicContact CG-CD1 4.11Å; W276-L351 HydrophobicContact CH2-CB 4.18Å; W276-L351 HydrophobicContact CZ2-CD2 4.47Å; W276-L351 HydrophobicContact CZ3-CB 3.75Å; Q342-L351 HydrophobicContact CB-CD2 3.83Å; V349-L351 HydrophobicContact CG1-CD2 4.28Å
352	I	88.3	Confident	85.3	Confident	16 Å²	16	88.7 Å²	88.7	8%	0.082	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	114.9	-176.1	-59.5	177.6	0	0	0	108.7	M340 R341 E343 R350 L354	M340-I352 WeakPolarHBondContact CA-O 3.44Å; R341-I352 HydrophobicContact CG-CB 4.24Å; R341-I352 PolarHBondContact N-O 2.89Å; R341-I352 PolarHBondContact O-N 3.02Å; E343-I352 HydrophobicContact CB-CD1 3.85Å; E343-I352 HydrophobicContact CG-CD1 4.5Å; E343-I352 WeakPolarHBondContact OE2-CD1 3.08Å; R350-I352 HydrophobicContact CG-CG1 4.39Å; I352-L354 HydrophobicContact CG2-CD2 4.28Å; I352-L354 HydrophobicContact CG2-CG 4.37Å
353	G	91.6	Very high	85.4	Confident	4 Å²	4	86.8 Å²	86.8	4%	0.041	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126	177.1	0	0	0	0	0	111.1	C319 S320 M340	C319-G353 CarbonylContact C-O 3.19Å; C319-G353 VanDerWaalsContact CA-O 3.32Å; C319-G353 WeakPolarHBondContact CA-O 3.47Å; S320-G353 PolarHBondContact N-O 3.48Å; S320-G353 PolarHBondContact OG-N 2.89Å; S320-G353 VanDerWaalsContact OG-N 3.1Å; S320-G353 PolarHBondContact OG-O 3.12Å; M340-G353 WeakPolarHBondContact SD-CA 3.5Å
354	L	94.2	Very high	85.5	Confident	10 Å²	10	89.2 Å²	89.2	5%	0.052	42%	0.418	C	S	.	.			trans	-112.1	138.6	-176	-61.1	178.3	0	0	0	111.7	V339 I352 H358 S359 E362	V339-L354 HydrophobicContact CB-CB 4.38Å; V339-L354 HydrophobicContact CB-CD1 4.12Å; V339-L354 HydrophobicContact CG1-CD1 4.02Å; V339-L354 PolarHBondContact O-N 3.15Å; I352-L354 HydrophobicContact CG2-CD2 4.28Å; I352-L354 HydrophobicContact CG2-CG 4.37Å; L354-H358 HydrophobicContact CB-CB 4.08Å; L354-H358 HydrophobicContact CD2-CB 4.31Å; L354-S359 WeakPolarHBondContact CB-OG 3.46Å; L354-S359 PolarHBondContact O-OG 3.45Å; L354-E362 HydrophobicContact CD1-CB 4.43Å; L354-E362 WeakPolarHBondContact CD1-OE2 3.32Å
355	C	95.4	Very high	85.2	Confident	4 Å²	4	85.5 Å²	85.5	3%	0.027	40%	0.404	C	S	.	.			trans	-69.2	165.2	174.5	71.5	0	0	0	0	111.7	C319 C324 T326 F328 K357 H358 S359	C319-C355 HydrophobicContact CB-CB 4.04Å; C319-C355 PolarHBondContact SG-N 2.89Å; C319-C355 VanDerWaalsContact SG-N 3.35Å; C324-C355 VanDerWaalsContact SG-SG 3.65Å; T326-C355 WeakPolarHBondContact OG1-CB 3.14Å; T326-C355 PolarHBondContact OG1-SG 2.79Å; T326-C355 VanDerWaalsContact OG1-SG 3.35Å; F328-C355 HydrophobicContact CD1-CB 4.22Å; F328-C355 HydrophobicContact CE1-CB 3.86Å; C355-K357 PolarHBondContact O-N 3.24Å; C355-H358 PolarHBondContact O-N 3.45Å; C355-H358 PolarHBondContact SG-ND1 3.1Å; C355-H358 VanDerWaalsContact SG-ND1 3.35Å; C355-S359 WeakPolarHBondContact O-CB 3.38Å; C355-S359 PolarHBondContact O-N 2.83Å; C355-S359 PolarHBondContact O-OG 3.2Å
356	W	91.5	Very high	84.3	Confident	146 Å²	146	86 Å²	86	55%	0.553	41%	0.414	S	S	*	.	H	α-helix	trans	-42.4	-45.9	177.8	177.6	-101.8	0	0	0	114.4	L338 H358 R360	L338-W356 HydrophobicContact CD2-CB 4.15Å; L338-W356 HydrophobicContact CD2-CE3 3.88Å; W356-H358 PolarHBondContact O-N 3.16Å; W356-R360 WeakPolarHBondContact O-CB 2.97Å; W356-R360 PolarHBondContact O-N 3.49Å; W356-R360 VanDerWaalsContact O-N 3.15Å
357	K	92.7	Very high	83.2	Confident	157 Å²	157	82.6 Å²	82.6	68%	0.683	40%	0.399	S	S	*	.	H	α-helix	trans	-66.8	-36.9	-179	-66.2	-174.3	178.9	-176.6	0	113.2	C355 K361	C355-K357 PolarHBondContact O-N 3.24Å; K357-K361 WeakPolarHBondContact O-CG 3.42Å
358	H	93.5	Very high	82	Confident	47 Å²	47	79.3 Å²	79.3	22%	0.218	39%	0.387	C	S	.	.	H	α-helix	trans	-84.9	-41.3	-179.1	-70.8	119.7	0	0	0	111.8	C319 S321 C324 L354 C355 W356 R360 K361 E362	C319-H358 PolarHBondContact SG-ND1 2.81Å; C319-H358 VanDerWaalsContact SG-ND1 3.42Å; S321-H358 PolarHBondContact OG-CE1 3.43Å; S321-H358 PolarHBondContact OG-NE2 2.87Å; C324-H358 VanDerWaalsContact CB-CE1 3.41Å; C324-H358 WeakPolarHBondContact CB-CE1 3.21Å; C324-H358 PolarHBondContact SG-CE1 3.39Å; L354-H358 HydrophobicContact CB-CB 4.08Å; L354-H358 HydrophobicContact CD2-CB 4.31Å; C355-H358 PolarHBondContact O-N 3.45Å; C355-H358 PolarHBondContact SG-ND1 3.1Å; C355-H358 VanDerWaalsContact SG-ND1 3.35Å; W356-H358 PolarHBondContact O-N 3.16Å; H358-R360 VanDerWaalsContact C-N 3.29Å; H358-R360 PolarHBondContact O-N 3.25Å; H358-K361 PolarHBondContact O-N 3.06Å; H358-K361 VanDerWaalsContact O-N 3.11Å; H358-E362 PolarHBondContact O-N 3.37Å
359	S	90.6	Very high	80.5	Confident	3 Å²	3	81.4 Å²	81.4	2%	0.021	39%	0.392	C	S	.	.	H	α-helix	trans	-51.5	-48.9	172.6	-71.5	0	0	0	0	111.5	V339 L354 C355 K361 E362 Q363	V339-S359 PolarHBondContact N-OG 2.9Å; L354-S359 WeakPolarHBondContact CB-OG 3.46Å; L354-S359 PolarHBondContact O-OG 3.45Å; C355-S359 WeakPolarHBondContact O-CB 3.38Å; C355-S359 PolarHBondContact O-N 2.83Å; C355-S359 PolarHBondContact O-OG 3.2Å; S359-K361 PolarHBondContact O-N 3.47Å; S359-E362 PolarHBondContact O-N 2.65Å; S359-Q363 WeakPolarHBondContact O-CB 3.45Å; S359-Q363 VanDerWaalsContact O-CG 3.28Å; S359-Q363 WeakPolarHBondContact O-CG 3.17Å; S359-Q363 PolarHBondContact O-N 3.34Å
360	R	91.1	Very high	78.6	Confident	126 Å²	126	82.5 Å²	82.5	48%	0.475	40%	0.404	S	S	.	.	H	α-helix	trans	-62.6	-41.6	178.1	-178.4	175.7	-76.9	-157.1	-8.4	113	W356 H358 Q364	W356-R360 WeakPolarHBondContact O-CB 2.97Å; W356-R360 PolarHBondContact O-N 3.49Å; W356-R360 VanDerWaalsContact O-N 3.15Å; H358-R360 VanDerWaalsContact C-N 3.29Å; H358-R360 PolarHBondContact O-N 3.25Å; R360-Q364 WeakPolarHBondContact O-CB 3.25Å; R360-Q364 VanDerWaalsContact O-CG 3.23Å; R360-Q364 WeakPolarHBondContact O-CG 3.5Å; R360-Q364 PolarHBondContact O-N 3.35Å
361	K	90.3	Very high	76.3	Confident	129 Å²	129	81.1 Å²	81.1	56%	0.561	41%	0.414	S	S	*	.	H	α-helix	trans	-64.8	-41.6	178.6	-75.9	178.7	178.4	-170.9	0	111.7	K357 H358 S359 Q364 S365	K357-K361 WeakPolarHBondContact O-CG 3.42Å; H358-K361 PolarHBondContact O-N 3.06Å; H358-K361 VanDerWaalsContact O-N 3.11Å; S359-K361 PolarHBondContact O-N 3.47Å; K361-Q364 PolarHBondContact O-N 3.27Å; K361-S365 WeakPolarHBondContact O-CB 3.41Å; K361-S365 PolarHBondContact O-N 2.85Å; K361-S365 PolarHBondContact O-OG 3.09Å
362	E	85.7	Confident	73.7	Confident	77 Å²	77	83 Å²	83	36%	0.36	44%	0.436	S	S	.	.	H	α-helix	trans	-67.6	-44	178.6	-169.6	155.4	154.1	0	0	111.4	R341 L354 H358 S359 Q364 S365 A366	R341-E362 IonicContact NE-OE1 3.86Å; R341-E362 IonicContact NH2-OE1 3.58Å; L354-E362 HydrophobicContact CD1-CB 4.43Å; L354-E362 WeakPolarHBondContact CD1-OE2 3.32Å; H358-E362 PolarHBondContact O-N 3.37Å; S359-E362 PolarHBondContact O-N 2.65Å; E362-Q364 VanDerWaalsContact C-N 3.32Å; E362-Q364 PolarHBondContact O-N 3.22Å; E362-S365 WeakPolarHBondContact O-CB 3.28Å; E362-S365 PolarHBondContact O-N 2.98Å; E362-S365 VanDerWaalsContact O-N 3.07Å; E362-A366 PolarHBondContact O-N 2.91Å
363	Q	81.6	Confident	70.9	Confident	99 Å²	99	87.8 Å²	87.8	46%	0.463	47%	0.471	S	S	.	.	H	α-helix	trans	-60.7	-38.8	174.9	-72.6	170.6	-15.5	0	0	112.7	V339 S359 T367	V339-Q363 HydrophobicContact CG2-CG 3.95Å; S359-Q363 WeakPolarHBondContact O-CB 3.45Å; S359-Q363 VanDerWaalsContact O-CG 3.28Å; S359-Q363 WeakPolarHBondContact O-CG 3.17Å; S359-Q363 PolarHBondContact O-N 3.34Å; Q363-T367 PolarHBondContact O-N 2.99Å; Q363-T367 PolarHBondContact O-OG1 3.21Å
364	Q	80.3	Confident	68	Low	108 Å²	108	93.4 Å²	93.4	51%	0.505	51%	0.508	S	S	.	.	H	α-helix	trans	-66.8	-38	172.9	-73.5	171.6	-1.2	0	0	112.1	R360 K361 E362 T367 H368	R360-Q364 WeakPolarHBondContact O-CB 3.25Å; R360-Q364 VanDerWaalsContact O-CG 3.23Å; R360-Q364 WeakPolarHBondContact O-CG 3.5Å; R360-Q364 PolarHBondContact O-N 3.35Å; K361-Q364 PolarHBondContact O-N 3.27Å; E362-Q364 VanDerWaalsContact C-N 3.32Å; E362-Q364 PolarHBondContact O-N 3.22Å; Q364-T367 WeakPolarHBondContact CA-OG1 3.34Å; Q364-T367 PolarHBondContact O-N 3.26Å; Q364-T367 PolarHBondContact O-OG1 3.31Å; Q364-H368 PolarHBondContact O-CD2 3.3Å; Q364-H368 VanDerWaalsContact O-CD2 3.25Å; Q364-H368 PolarHBondContact O-N 3.21Å
365	S	70.6	Confident	64.9	Low	67 Å²	67	100.6 Å²	100.6	47%	0.469	55%	0.547	S	S	.	.	H	α-helix	trans	-68.5	-40.2	178.3	-51.5	0	0	0	0	111.4	K361 E362 T367 H368 H369	K361-S365 WeakPolarHBondContact O-CB 3.41Å; K361-S365 PolarHBondContact O-N 2.85Å; K361-S365 PolarHBondContact O-OG 3.09Å; E362-S365 WeakPolarHBondContact O-CB 3.28Å; E362-S365 PolarHBondContact O-N 2.98Å; E362-S365 VanDerWaalsContact O-N 3.07Å; S365-T367 VanDerWaalsContact C-N 3.33Å; S365-T367 PolarHBondContact O-N 3.02Å; S365-H368 PolarHBondContact O-N 3.31Å; S365-H369 PolarHBondContact O-CD2 3.38Å; S365-H369 VanDerWaalsContact O-CD2 3.26Å
366	A	57.4	Low	62	Low	62 Å²	62	106.1 Å²	106.1	51%	0.512	59%	0.586	S	S	.	*	H	α-helix	trans	-64.4	-35.4	178	0	0	0	0	0	112.7	E362 H369	E362-A366 PolarHBondContact O-N 2.91Å; A366-H369 PolarHBondContact O-N 3.24Å
367	T	57.3	Low	59.1	Low	93 Å²	93	106.7 Å²	106.7	57%	0.571	60%	0.599	S	S	*	*	H	α-helix	trans	-70.9	-30.9	178.1	35.7	0	0	0	0	112.9	Q363 Q364 S365 H369 S370	Q363-T367 PolarHBondContact O-N 2.99Å; Q363-T367 PolarHBondContact O-OG1 3.21Å; Q364-T367 WeakPolarHBondContact CA-OG1 3.34Å; Q364-T367 PolarHBondContact O-N 3.26Å; Q364-T367 PolarHBondContact O-OG1 3.31Å; S365-T367 VanDerWaalsContact C-N 3.33Å; S365-T367 PolarHBondContact O-N 3.02Å; T367-H369 VanDerWaalsContact C-N 3.29Å; T367-H369 PolarHBondContact O-N 2.75Å; T367-S370 PolarHBondContact O-N 2.95Å
368	H	48.9	Very low	56.3	Low	129 Å²	129	104.2 Å²	104.2	60%	0.597	60%	0.602	S	S	*	*	H	α-helix	trans	-70.9	-20.2	176.3	-82.8	-71.2	0	0	0	114.1	Q364 S365 S370 A372	Q364-H368 PolarHBondContact O-CD2 3.3Å; Q364-H368 VanDerWaalsContact O-CD2 3.25Å; Q364-H368 PolarHBondContact O-N 3.21Å; S365-H368 PolarHBondContact O-N 3.31Å; H368-S370 VanDerWaalsContact C-N 3.26Å; H368-S370 PolarHBondContact O-N 3.1Å; H368-A372 WeakPolarHBondContact O-CB 3.27Å
369	H	41.1	Very low	53.1	Low	169 Å²	169	111.4 Å²	111.4	78%	0.782	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-11.8	176	-72.7	-61.3	0	0	0	114.1	S365 A366 T367	S365-H369 PolarHBondContact O-CD2 3.38Å; S365-H369 VanDerWaalsContact O-CD2 3.26Å; A366-H369 PolarHBondContact O-N 3.24Å; T367-H369 VanDerWaalsContact C-N 3.29Å; T367-H369 PolarHBondContact O-N 2.75Å
370	S	38.4	Very low	50.1	Low	110 Å²	110	122.8 Å²	122.8	77%	0.769	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-6.6	178.8	-59.4	0	0	0	0	114.2	T367 H368	T367-S370 PolarHBondContact O-N 2.95Å; H368-S370 VanDerWaalsContact C-N 3.26Å; H368-S370 PolarHBondContact O-N 3.1Å
371	S	35	Very low	47	Very low	101 Å²	101	122.2 Å²	122.2	71%	0.706	69%	0.69	S	S	*	*	S	Bend	trans	-158.5	46	-178.8	62.4	0	0	0	0	114.8
372	A	31.9	Very low	44	Very low	86 Å²	86	121.5 Å²	121.5	71%	0.711	70%	0.699	S	S	*	*			trans	-103.6	89.5	174	0	0	0	0	0	111.9	H368	H368-A372 WeakPolarHBondContact O-CB 3.27Å
373	S	29.4	Very low	41.1	Very low	116 Å²	116	125.7 Å²	125.7	81%	0.811	72%	0.724	S	S	*	*			trans	-132.3	77.6	153.2	165.5	0	0	0	0	107.5
374	C	30.6	Very low	38.5	Very low	123 Å²	123	125.4 Å²	125.4	83%	0.831	73%	0.733	S	S	*	*			trans	-172.9	121.7	145.5	54	0	0	0	0	109.9
375	D	29.1	Very low	35.9	Very low	160 Å²	160	126.5 Å²	126.5	86%	0.856	75%	0.749	S	S	*	*			trans	-60	140.7	167.9	-64.5	-58	0	0	0	111.6
376	S	35.9	Very low	33.9	Very low	121 Å²	121	130.7 Å²	130.7	85%	0.846	77%	0.765	S	S	*	*			trans	-168.8	108.9	142.7	-83.3	0	0	0	0	110.8	S378	S376-S378 PolarHBondContact O-N 3.46Å
377	N	28.9	Very low	32.3	Very low	157 Å²	157	136.5 Å²	136.5	84%	0.84	78%	0.778	S	S	*	*			trans	-54.6	119.7	163.2	-88.8	-30.8	0	0	0	110.8
378	S	34	Very low	30.8	Very low	105 Å²	105	138.8 Å²	138.8	73%	0.734	79%	0.792	S	S	*	*			trans	-140.5	107.7	152.2	80.9	0	0	0	0	110.5	S376 R380	S376-S378 PolarHBondContact O-N 3.46Å; S378-R380 PolarHBondContact O-N 2.92Å
379	F	26.8	Very low	29.8	Very low	198 Å²	198	140.9 Å²	140.9	87%	0.868	80%	0.802	S	S	*	*			trans	-57.8	119.8	164.9	-69.5	-96.8	0	0	0	109.5
380	R	28.1	Very low	29.2	Very low	243 Å²	243	140 Å²	140	92%	0.917	80%	0.803	S	S	*	*			trans	-144.8	120.5	161.1	-138.5	175	-174.4	-147	0.6	111.8	S378	S378-R380 PolarHBondContact O-N 2.92Å
381	S	26.1	Very low	28.7	Very low	113 Å²	113	138.8 Å²	138.8	79%	0.79	80%	0.799	S	S	*	*			trans	-57.8	146.7	-172.5	-67.8	0	0	0	0	114.8
382	P	27.2	Very low	28.4	Very low	114 Å²	114	141.7 Å²	141.7	74%	0.74	81%	0.807	S	S	*	*			trans	-85.8	112	172.4	32.8	-27	0	0	0	109.3
383	N	25.2	Very low	28.5	Very low	166 Å²	166	145 Å²	145	89%	0.888	81%	0.808	S	S	*	*			trans	177	89.6	155.3	-92.5	-18.1	0	0	0	110.9
384	S	26	Very low	28.5	Very low	93 Å²	93	146.9 Å²	146.9	65%	0.65	81%	0.809	S	S	*	*			trans	-165.4	130.2	142.3	47	0	0	0	0	109.7	I386	S384-I386 PolarHBondContact O-N 2.99Å; S384-I386 VanDerWaalsContact O-N 3.08Å
385	P	26.5	Very low	28.6	Very low	130 Å²	130	150.2 Å²	150.2	84%	0.844	81%	0.809	S	S	*	*			trans	-78	95.3	-180	29.2	-28.1	0	0	0	108.8	K387	P385-K387 PolarHBondContact O-N 2.88Å
386	I	27.9	Very low	28.7	Very low	156 Å²	156	145 Å²	145	80%	0.8	79%	0.794	S	S	*	*			trans	-74.2	117	178.6	-64.9	175.3	0	0	0	108.8	S384	S384-I386 PolarHBondContact O-N 2.99Å; S384-I386 VanDerWaalsContact O-N 3.08Å
387	K	24.4	Very low	28.6	Very low	183 Å²	183	145.2 Å²	145.2	80%	0.796	80%	0.795	S	S	*	*			trans	-55.7	141.1	173	-68.7	175.5	177	177.9	0	110.2	P385 H389	P385-K387 PolarHBondContact O-N 2.88Å; K387-H389 PolarHBondContact O-N 2.89Å
388	V	25.5	Very low	28.7	Very low	142 Å²	142	141.2 Å²	141.2	86%	0.861	79%	0.791	S	S	*	*			trans	-56.1	104.2	178.1	-162.4	0	0	0	0	108.6
389	H	28.1	Very low	28.7	Very low	172 Å²	172	144.1 Å²	144.1	80%	0.796	80%	0.795	S	S	*	*			trans	-123.2	127.1	164.8	-114.7	-75.7	0	0	0	107.1	K387 A391	K387-H389 PolarHBondContact O-N 2.89Å; H389-A391 PolarHBondContact O-N 3.41Å
390	D	27.9	Very low	29	Very low	152 Å²	152	141.7 Å²	141.7	81%	0.813	79%	0.786	S	S	*	*			trans	-53	104.2	-174.6	-63.4	-59.7	0	0	0	111.9	N392	D390-N392 VanDerWaalsContact C-N 3.35Å; D390-N392 PolarHBondContact O-N 2.55Å
391	A	29.5	Very low	29.4	Very low	83 Å²	83	136 Å²	136	69%	0.686	78%	0.781	S	S	*	*			trans	-83.2	90.8	165.1	0	0	0	0	0	107.6	H389 Q393	H389-A391 PolarHBondContact O-N 3.41Å; A391-Q393 PolarHBondContact O-N 2.91Å
392	N	26.8	Very low	30.4	Very low	162 Å²	162	135.6 Å²	135.6	87%	0.866	77%	0.773	S	S	*	*			trans	-57	78.4	160.9	-161.4	15.4	0	0	0	108.7	D390 N394	D390-N392 VanDerWaalsContact C-N 3.35Å; D390-N392 PolarHBondContact O-N 2.55Å; N392-N394 PolarHBondContact O-N 3.43Å
393	Q	34	Very low	31.8	Very low	156 Å²	156	132.1 Å²	132.1	73%	0.729	75%	0.754	S	S	*	*			trans	-80.8	97.3	170.7	-78.5	-169.8	8	0	0	107.9	A391 F395	A391-Q393 PolarHBondContact O-N 2.91Å; Q393-F395 VanDerWaalsContact C-N 3.35Å; Q393-F395 PolarHBondContact O-N 2.96Å
394	N	30	Very low	33.6	Very low	155 Å²	155	127.5 Å²	127.5	83%	0.829	73%	0.729	S	S	*	*			trans	-33.6	89.5	159.8	-143.9	10.9	0	0	0	111.1	N392 G396	N392-N394 PolarHBondContact O-N 3.43Å; N394-G396 PolarHBondContact O-N 3.09Å
395	F	33.3	Very low	35.7	Very low	193 Å²	193	126.8 Å²	126.8	85%	0.846	72%	0.721	S	S	*	*			trans	-72.1	83.4	166.8	-99.7	-89.3	0	0	0	107.3	Q393	Q393-F395 VanDerWaalsContact C-N 3.35Å; Q393-F395 PolarHBondContact O-N 2.96Å
396	G	30.2	Very low	37.9	Very low	51 Å²	51	122.5 Å²	122.5	53%	0.526	69%	0.688	S	S	.	*			trans	-66.4	135.4	170.1	0	0	0	0	0	110.7	N394	N394-G396 PolarHBondContact O-N 3.09Å
397	S	35.5	Very low	40.1	Very low	126 Å²	126	122.7 Å²	122.7	88%	0.881	68%	0.683	S	S	*	*	S	Bend	trans	53.1	98.9	153.7	62.4	0	0	0	0	117.1
398	G	29.5	Very low	42.7	Very low	73 Å²	73	118.5 Å²	118.5	75%	0.753	67%	0.666	S	S	*	*			trans	138	13.3	158.4	0	0	0	0	0	116.7	Q400	G398-Q400 VanDerWaalsContact C-N 3.27Å; G398-Q400 PolarHBondContact O-N 3.37Å
399	M	33.5	Very low	45.4	Very low	166 Å²	166	114.9 Å²	114.9	82%	0.818	64%	0.637	S	S	*	*			trans	-69.1	96.4	163.5	-69.3	-150.2	100.6	0	0	107.5	V402	M399-V402 HydrophobicContact CE-CG2 4.31Å
400	Q	34.1	Very low	48.1	Very low	147 Å²	147	108.8 Å²	108.8	69%	0.687	61%	0.61	S	S	*	*			trans	-46.9	138.4	152.8	-77.4	-173.1	-0.7	0	0	107.2	G398 V402	G398-Q400 VanDerWaalsContact C-N 3.27Å; G398-Q400 PolarHBondContact O-N 3.37Å; Q400-V402 PolarHBondContact O-N 3.07Å
401	P	35.6	Very low	50.8	Low	123 Å²	123	106.4 Å²	106.4	80%	0.799	60%	0.597	S	S	*	*			trans	-51.5	117.3	174.9	21.6	-30.9	0	0	0	106.9	A403	P401-A403 PolarHBondContact O-N 2.84Å
402	V	48.1	Very low	53.5	Low	104 Å²	104	107 Å²	107	63%	0.63	59%	0.586	S	S	*	*			trans	-53.2	114.6	180	175.8	0	0	0	0	105.9	M399 Q400 L404	M399-V402 HydrophobicContact CE-CG2 4.31Å; Q400-V402 PolarHBondContact O-N 3.07Å; V402-L404 PolarHBondContact O-N 2.7Å
403	A	55.5	Low	56.4	Low	42 Å²	42	100.3 Å²	100.3	35%	0.347	55%	0.55	S	S	.	.			trans	-55.5	112.8	178.8	0	0	0	0	0	107.1	P401 T405	P401-A403 PolarHBondContact O-N 2.84Å; A403-T405 PolarHBondContact O-N 3.27Å
404	L	63.2	Low	58.9	Low	68 Å²	68	97.3 Å²	97.3	36%	0.356	54%	0.536	S	S	.	.			trans	-62.7	131.2	-179.7	-68	179.1	0	0	0	107.9	V402 Q408 R409 E412	V402-L404 PolarHBondContact O-N 2.7Å; L404-Q408 HydrophobicContact CB-CB 4.23Å; L404-Q408 HydrophobicContact CD2-CB 4.42Å; L404-R409 HydrophobicContact CB-CG 3.78Å; L404-R409 PolarHBondContact O-NE 2.9Å; L404-R409 PolarHBondContact O-NH2 2.85Å; L404-E412 WeakPolarHBondContact CD1-OE2 3.35Å
405	T	70.6	Confident	61.7	Low	78 Å²	78	92.4 Å²	92.4	48%	0.479	51%	0.513	S	S	.	.			trans	-57.1	149.2	172	62	0	0	0	0	109.1	A403 K407 Q408 R409	A403-T405 PolarHBondContact O-N 3.27Å; T405-K407 PolarHBondContact O-N 3.42Å; T405-K407 VanDerWaalsContact O-N 3.14Å; T405-Q408 WeakPolarHBondContact O-CA 3.5Å; T405-Q408 WeakPolarHBondContact O-CB 3.19Å; T405-Q408 PolarHBondContact O-N 3.17Å; T405-Q408 VanDerWaalsContact OG1-CG 3.25Å; T405-Q408 WeakPolarHBondContact OG1-CG 3.43Å; T405-Q408 PolarHBondContact OG1-N 3.18Å; T405-Q408 PolarHBondContact OG1-OE1 3.49Å; T405-R409 PolarHBondContact O-N 2.81Å
406	R	74	Confident	64.2	Low	40 Å²	40	86 Å²	86	15%	0.151	49%	0.487	C	S	.	.	H	α-helix	trans	-49.1	-43.2	176.7	179.7	-168.1	168.2	85.7	-3.1	112.8	I182 D183 F216 Q408 R409 L410	I182-R406 HydrophobicContact CG2-CG 4.02Å; D183-R406 IonicContact OD1-CZ 2.63Å; D183-R406 IonicContact OD1-NH1 3.61Å; D183-R406 PolarHBondContact OD1-NH1 2.92Å; D183-R406 IonicContact OD1-NH2 3.82Å; D183-R406 PolarHBondContact OD1-NH2 2.84Å; F216-R406 VanDerWaalsContact CD1-CD 3.46Å; R406-Q408 VanDerWaalsContact C-N 3.3Å; R406-Q408 PolarHBondContact O-N 3.04Å; R406-R409 PolarHBondContact O-N 2.92Å; R406-R409 VanDerWaalsContact O-N 3.12Å; R406-L410 HydrophobicContact CG-CD1 4.21Å; R406-L410 HydrophobicContact CG-CG 4.4Å; R406-L410 WeakPolarHBondContact O-CG 3.34Å; R406-L410 PolarHBondContact O-N 3.27Å
407	K	73	Confident	67	Low	160 Å²	160	83.6 Å²	83.6	70%	0.696	46%	0.462	S	S	*	.	H	α-helix	trans	-59.1	-40.4	177.2	-175	177.8	179.1	179	0	112.1	T405 L411	T405-K407 PolarHBondContact O-N 3.42Å; T405-K407 VanDerWaalsContact O-N 3.14Å; K407-L411 WeakPolarHBondContact O-CB 3.31Å; K407-L411 PolarHBondContact O-N 2.68Å; K407-L411 VanDerWaalsContact O-N 3.07Å
408	Q	78.7	Confident	69.3	Low	95 Å²	95	78.4 Å²	78.4	44%	0.444	42%	0.424	S	S	.	.	H	α-helix	trans	-68.2	-40.5	174.4	-71.9	164.3	-36.1	0	0	111.6	L404 T405 R406 L410 L411 E412	L404-Q408 HydrophobicContact CB-CB 4.23Å; L404-Q408 HydrophobicContact CD2-CB 4.42Å; T405-Q408 WeakPolarHBondContact O-CA 3.5Å; T405-Q408 WeakPolarHBondContact O-CB 3.19Å; T405-Q408 PolarHBondContact O-N 3.17Å; T405-Q408 VanDerWaalsContact OG1-CG 3.25Å; T405-Q408 WeakPolarHBondContact OG1-CG 3.43Å; T405-Q408 PolarHBondContact OG1-N 3.18Å; T405-Q408 PolarHBondContact OG1-OE1 3.49Å; R406-Q408 VanDerWaalsContact C-N 3.3Å; R406-Q408 PolarHBondContact O-N 3.04Å; Q408-L410 PolarHBondContact O-N 2.93Å; Q408-L411 PolarHBondContact O-N 3.14Å; Q408-E412 WeakPolarHBondContact O-CB 3.25Å; Q408-E412 PolarHBondContact O-N 3.32Å
409	R	83	Confident	72.1	Confident	67 Å²	67	79.7 Å²	79.7	25%	0.253	41%	0.414	S	S	.	.	H	α-helix	trans	-62.8	-40.7	176	-62.6	-175.1	-167.7	-176	3.5	112.3	I182 L404 T405 R406 E412 L413	I182-R409 HydrophobicContact CD1-CB 4.08Å; I182-R409 HydrophobicContact CG2-CB 4.31Å; L404-R409 HydrophobicContact CB-CG 3.78Å; L404-R409 PolarHBondContact O-NE 2.9Å; L404-R409 PolarHBondContact O-NH2 2.85Å; T405-R409 PolarHBondContact O-N 2.81Å; R406-R409 PolarHBondContact O-N 2.92Å; R406-R409 VanDerWaalsContact O-N 3.12Å; R409-E412 PolarHBondContact O-N 2.94Å; R409-L413 VanDerWaalsContact O-CB 3.31Å; R409-L413 WeakPolarHBondContact O-CB 3.34Å; R409-L413 PolarHBondContact O-N 3.14Å
410	L	83.3	Confident	74.6	Confident	44 Å²	44	73 Å²	73	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-64.5	-44.1	175	-69.1	175	0	0	0	111.5	I179 I182 R406 Q408 E412 L413 E414	I179-L410 HydrophobicContact CB-CD2 4.49Å; I179-L410 HydrophobicContact CG1-CD2 3.8Å; I179-L410 HydrophobicContact CG2-CD2 4.27Å; I182-L410 HydrophobicContact CD1-CD2 4.44Å; R406-L410 HydrophobicContact CG-CD1 4.21Å; R406-L410 HydrophobicContact CG-CG 4.4Å; R406-L410 WeakPolarHBondContact O-CG 3.34Å; R406-L410 PolarHBondContact O-N 3.27Å; Q408-L410 PolarHBondContact O-N 2.93Å; L410-E412 VanDerWaalsContact C-N 3.34Å; L410-E412 PolarHBondContact O-N 2.86Å; L410-L413 WeakPolarHBondContact O-CB 3.21Å; L410-L413 PolarHBondContact O-N 3.33Å; L410-E414 WeakPolarHBondContact O-CG 3.25Å; L410-E414 PolarHBondContact O-N 3.22Å
411	L	84.6	Confident	77.1	Confident	101 Å²	101	66.1 Å²	66.1	53%	0.529	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-38.8	176.4	-173.8	70.8	0	0	0	112.1	K407 Q408 E414 C415	K407-L411 WeakPolarHBondContact O-CB 3.31Å; K407-L411 PolarHBondContact O-N 2.68Å; K407-L411 VanDerWaalsContact O-N 3.07Å; Q408-L411 PolarHBondContact O-N 3.14Å; L411-E414 PolarHBondContact O-N 3.14Å; L411-C415 WeakPolarHBondContact O-CB 3.25Å; L411-C415 PolarHBondContact O-N 3.19Å; L411-C415 PolarHBondContact O-SG 3.27Å
412	E	87.6	Confident	79.5	Confident	96 Å²	96	65.4 Å²	65.4	45%	0.449	34%	0.335	S	S	.	.	H	α-helix	trans	-65.4	-42.3	175	-176	178.1	-173.4	0	0	111.2	L404 Q408 R409 L410 E414 C415 N416	L404-E412 WeakPolarHBondContact CD1-OE2 3.35Å; Q408-E412 WeakPolarHBondContact O-CB 3.25Å; Q408-E412 PolarHBondContact O-N 3.32Å; R409-E412 PolarHBondContact O-N 2.94Å; L410-E412 VanDerWaalsContact C-N 3.34Å; L410-E412 PolarHBondContact O-N 2.86Å; E412-E414 VanDerWaalsContact C-N 3.31Å; E412-E414 PolarHBondContact O-N 3.34Å; E412-C415 PolarHBondContact O-N 2.78Å; E412-N416 WeakPolarHBondContact CG-ND2 3.38Å; E412-N416 VanDerWaalsContact O-CB 3.28Å; E412-N416 WeakPolarHBondContact O-CB 3.5Å; E412-N416 PolarHBondContact O-N 3.11Å; E412-N416 PolarHBondContact O-ND2 2.88Å
413	L	86.6	Confident	81.3	Confident	21 Å²	21	64.4 Å²	64.4	11%	0.11	32%	0.324	C	S	.	.	H	α-helix	trans	-60.8	-40.9	175.4	-173.5	67	0	0	0	111.5	M175 K178 I179 I182 R409 L410 N416 F417 L420	M175-L413 HydrophobicContact CG-CD2 4.13Å; M175-L413 HydrophobicContact CG-CG 4.42Å; K178-L413 HydrophobicContact CB-CD1 3.72Å; K178-L413 HydrophobicContact CB-CD2 3.72Å; K178-L413 HydrophobicContact CB-CG 4.39Å; K178-L413 HydrophobicContact CG-CD1 4.06Å; I179-L413 HydrophobicContact CG1-CD2 3.79Å; I182-L413 HydrophobicContact CD1-CD2 4.1Å; R409-L413 VanDerWaalsContact O-CB 3.31Å; R409-L413 WeakPolarHBondContact O-CB 3.34Å; R409-L413 PolarHBondContact O-N 3.14Å; L410-L413 WeakPolarHBondContact O-CB 3.21Å; L410-L413 PolarHBondContact O-N 3.33Å; L413-N416 CarbonylContact O-C 3.53Å; L413-N416 PolarHBondContact O-N 3.48Å; L413-F417 PolarHBondContact O-N 3Å; L413-F417 VanDerWaalsContact O-N 3.1Å; L413-L420 HydrophobicContact CD1-CD1 3.96Å; L413-L420 HydrophobicContact CD1-CD2 3.8Å; L413-L420 HydrophobicContact CD1-CG 4.36Å; L413-L420 HydrophobicContact CG-CD1 4.48Å
414	E	87.2	Confident	82.7	Confident	93 Å²	93	65 Å²	65	44%	0.435	33%	0.325	S	S	.	.	H	α-helix	trans	-64.3	-47.3	172.8	-76.5	174.2	-179.5	0	0	112.2	M175 L410 L411 E412 N416 F417	M175-E414 HydrophobicContact CE-CB 4.44Å; M175-E414 HydrophobicContact CE-CG 3.42Å; M175-E414 VanDerWaalsContact CE-CG 3.42Å; L410-E414 WeakPolarHBondContact O-CG 3.25Å; L410-E414 PolarHBondContact O-N 3.22Å; L411-E414 PolarHBondContact O-N 3.14Å; E412-E414 VanDerWaalsContact C-N 3.31Å; E412-E414 PolarHBondContact O-N 3.34Å; E414-N416 PolarHBondContact O-N 3.48Å; E414-F417 WeakPolarHBondContact O-CD1 3.43Å; E414-F417 PolarHBondContact O-N 3.24Å
415	C	88	Confident	83.8	Confident	53 Å²	53	65 Å²	65	36%	0.358	32%	0.323	S	S	.	.	H	α-helix	trans	-60.8	-33.6	177.1	-68.5	0	0	0	0	112.5	L411 E412	L411-C415 WeakPolarHBondContact O-CB 3.25Å; L411-C415 PolarHBondContact O-N 3.19Å; L411-C415 PolarHBondContact O-SG 3.27Å; E412-C415 PolarHBondContact O-N 2.78Å
416	N	87.3	Confident	84.5	Confident	57 Å²	57	61.3 Å²	61.3	31%	0.305	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	23.2	-176.6	-67.1	-46.2	0	0	0	113.5	E412 L413 E414 H418 N419	E412-N416 WeakPolarHBondContact CG-ND2 3.38Å; E412-N416 VanDerWaalsContact O-CB 3.28Å; E412-N416 WeakPolarHBondContact O-CB 3.5Å; E412-N416 PolarHBondContact O-N 3.11Å; E412-N416 PolarHBondContact O-ND2 2.88Å; L413-N416 CarbonylContact O-C 3.53Å; L413-N416 PolarHBondContact O-N 3.48Å; E414-N416 PolarHBondContact O-N 3.48Å; N416-H418 PolarHBondContact O-N 3.1Å; N416-N419 WeakPolarHBondContact O-CB 3.23Å; N416-N419 PolarHBondContact O-N 2.61Å
417	F	88.5	Confident	85.1	Confident	1 Å²	1	60.8 Å²	60.8	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-50.2	-37.5	-178.2	75.5	-90.3	0	0	0	113.2	T171 L413 E414 N419 L420 W465 R469 R470 N474	T171-F417 HydrophobicContact CG2-CB 4.14Å; T171-F417 HydrophobicContact CG2-CD2 4.26Å; L413-F417 PolarHBondContact O-N 3Å; L413-F417 VanDerWaalsContact O-N 3.1Å; E414-F417 WeakPolarHBondContact O-CD1 3.43Å; E414-F417 PolarHBondContact O-N 3.24Å; F417-N419 PolarHBondContact O-N 2.86Å; F417-L420 VanDerWaalsContact O-CB 3.3Å; F417-L420 WeakPolarHBondContact O-CB 2.98Å; F417-L420 WeakPolarHBondContact O-CG 3.44Å; F417-L420 PolarHBondContact O-N 3.38Å; F417-L420 VanDerWaalsContact O-N 3.12Å; F417-W465 AromaticContact CD2-CH2 3.48Å; F417-W465 HydrophobicContact CD2-CH2 3.48Å; F417-W465 VanDerWaalsContact CD2-CH2 3.48Å; F417-W465 AromaticContact CD2-CZ2 3.72Å; F417-W465 HydrophobicContact CD2-CZ2 3.72Å; F417-W465 HydrophobicContact CD2-CZ3 4.27Å; F417-W465 HydrophobicContact CE2-CE3 4.34Å; F417-W465 AromaticContact CE2-CH2 3.36Å; F417-W465 HydrophobicContact CE2-CH2 3.36Å; F417-W465 AromaticContact CE2-CZ2 3.54Å; F417-W465 HydrophobicContact CE2-CZ2 3.54Å; F417-W465 AromaticContact CE2-CZ3 3.78Å; F417-W465 HydrophobicContact CE2-CZ3 3.78Å; F417-R469 HydrophobicContact CE1-CB 3.87Å; F417-R469 HydrophobicContact CE2-CB 3.92Å; F417-R469 HydrophobicContact CE2-CG 4.18Å; F417-R469 HydrophobicContact CZ-CB 3.35Å; F417-R469 HydrophobicContact CZ-CG 4.1Å; F417-R470 HydrophobicContact CE1-CG 4.39Å; F417-N474 HydrophobicContact CD1-CB 4.2Å; F417-N474 HydrophobicContact CE1-CB 4.36Å
418	H	83.3	Confident	85.6	Confident	17 Å²	17	58.5 Å²	58.5	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-69.2	-16	-177.6	63.6	-78.7	0	0	0	113.9	N416 L420 R466 R470	N416-H418 PolarHBondContact O-N 3.1Å; H418-L420 VanDerWaalsContact C-N 3.35Å; H418-R466 HydrophobicContact CB-CG 3.95Å; H418-R466 PolarHBondContact CD2-NH2 3.13Å; H418-R466 VanDerWaalsContact CD2-NH2 3.34Å; H418-R470 PolarHBondContact CE1-NH2 2.81Å; H418-R470 PolarHBondContact NE2-NH2 2.59Å
419	N	87.8	Confident	85.7	Confident	101 Å²	101	54.4 Å²	54.4	54%	0.54	28%	0.275	S	S	.	.	H	α-helix	trans	-81.4	-19	174.2	-65.9	-24.2	0	0	0	111.9	N416 F417	N416-N419 WeakPolarHBondContact O-CB 3.23Å; N416-N419 PolarHBondContact O-N 2.61Å; F417-N419 PolarHBondContact O-N 2.86Å
420	L	85.7	Confident	85.6	Confident	25 Å²	25	51.5 Å²	51.5	13%	0.131	27%	0.265	C	S	.	.	H	α-helix	trans	-71.5	-37.6	179.3	-56.8	177.1	0	0	0	111.4	K174 M175 K178 L413 F417 H418	K174-L420 HydrophobicContact CB-CB 4.22Å; K174-L420 WeakPolarHBondContact CD-O 3.38Å; K174-L420 PolarHBondContact NZ-O 3.38Å; M175-L420 HydrophobicContact CB-CD1 3.92Å; M175-L420 HydrophobicContact CG-CD1 4.34Å; K178-L420 HydrophobicContact CG-CD2 3.84Å; L413-L420 HydrophobicContact CD1-CD1 3.96Å; L413-L420 HydrophobicContact CD1-CD2 3.8Å; L413-L420 HydrophobicContact CD1-CG 4.36Å; L413-L420 HydrophobicContact CG-CD1 4.48Å; F417-L420 VanDerWaalsContact O-CB 3.3Å; F417-L420 WeakPolarHBondContact O-CB 2.98Å; F417-L420 WeakPolarHBondContact O-CG 3.44Å; F417-L420 PolarHBondContact O-N 3.38Å; F417-L420 VanDerWaalsContact O-N 3.12Å; H418-L420 VanDerWaalsContact C-N 3.35Å
421	V	87.8	Confident	85.4	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.012	28%	0.275	C	S	.	.	S	Bend	trans	-106	126.6	-179.4	-172.4	0	0	0	0	109.4	L167 L170 T171 K174 F462	L167-V421 HydrophobicContact CD2-CG1 3.85Å; L170-V421 HydrophobicContact CB-CG1 4.16Å; L170-V421 HydrophobicContact CB-CG2 3.96Å; L170-V421 HydrophobicContact CD1-CG1 4.18Å; T171-V421 VanDerWaalsContact OG1-CG2 3.27Å; T171-V421 WeakPolarHBondContact OG1-CG2 3.24Å; K174-V421 HydrophobicContact CD-CG2 4.46Å; V421-F462 HydrophobicContact CG1-CE2 4.25Å; V421-F462 WeakPolarHBondContact O-CZ 3.38Å
422	Q	86.5	Confident	84.8	Confident	108 Å²	108	51.8 Å²	51.8	51%	0.505	27%	0.267	S	S	.	.			trans	-105.3	154.2	173.1	-63.6	-178.9	-15.4	0	0	108.8	S424 H425 L426	Q422-S424 PolarHBondContact O-N 3.46Å; Q422-H425 PolarHBondContact N-ND1 3.42Å; Q422-H425 WeakPolarHBondContact O-CB 3.42Å; Q422-H425 PolarHBondContact O-N 3.31Å; Q422-L426 PolarHBondContact O-N 3.49Å
423	E	84.7	Confident	83.4	Confident	84 Å²	84	50.8 Å²	50.8	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-56.6	-36	177.6	-167.5	-178.6	158.1	0	0	112.3	H425 L426 N427 A459	E423-H425 PolarHBondContact O-N 3.35Å; E423-L426 WeakPolarHBondContact O-CB 3.45Å; E423-L426 PolarHBondContact O-N 3.48Å; E423-N427 VanDerWaalsContact O-CG 3.32Å; E423-N427 PolarHBondContact O-N 3.32Å; E423-N427 PolarHBondContact O-ND2 3.04Å; E423-A459 VanDerWaalsContact OE1-CB 3.23Å; E423-A459 WeakPolarHBondContact OE1-CB 3.34Å
424	S	86.1	Confident	81.9	Confident	53 Å²	53	54.6 Å²	54.6	37%	0.371	29%	0.293	S	S	.	.	H	α-helix	trans	-58.3	-44.5	173.4	53.5	0	0	0	0	112.9	Q422 L426 N427 I428	Q422-S424 PolarHBondContact O-N 3.46Å; S424-L426 VanDerWaalsContact C-N 3.34Å; S424-L426 PolarHBondContact O-N 3.35Å; S424-N427 PolarHBondContact O-N 3.33Å; S424-I428 WeakPolarHBondContact O-CD1 3.41Å; S424-I428 VanDerWaalsContact O-CG1 3.31Å; S424-I428 WeakPolarHBondContact O-CG1 3.14Å; S424-I428 PolarHBondContact O-N 3.37Å; S424-I428 VanDerWaalsContact O-N 3.09Å
425	H	85.1	Confident	80.3	Confident	69 Å²	69	54.3 Å²	54.3	32%	0.319	29%	0.293	S	S	.	.	H	α-helix	trans	-64.5	-39.7	177.8	-61.6	127.6	0	0	0	111.7	K174 Q422 E423 W429	K174-H425 PolarHBondContact NZ-CE1 2.99Å; K174-H425 PolarHBondContact NZ-ND1 2.96Å; Q422-H425 PolarHBondContact N-ND1 3.42Å; Q422-H425 WeakPolarHBondContact O-CB 3.42Å; Q422-H425 PolarHBondContact O-N 3.31Å; E423-H425 PolarHBondContact O-N 3.35Å; H425-W429 VanDerWaalsContact O-CB 3.29Å; H425-W429 WeakPolarHBondContact O-CB 3.3Å; H425-W429 PolarHBondContact O-N 3.36Å; H425-W429 VanDerWaalsContact O-N 3.08Å
426	L	86.6	Confident	78.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-46.3	175.4	175.4	66.8	0	0	0	111.1	V163 A166 L167 L170 Q422 E423 S424 W429 L430 R458 F462	V163-L426 HydrophobicContact CG1-CD1 4.43Å; V163-L426 HydrophobicContact CG1-CD2 3.83Å; A166-L426 HydrophobicContact CB-CD1 3.89Å; L167-L426 HydrophobicContact CD1-CD2 4.27Å; L167-L426 HydrophobicContact CD2-CB 4.26Å; L167-L426 HydrophobicContact CD2-CD1 3.9Å; L167-L426 HydrophobicContact CD2-CD2 3.98Å; L167-L426 HydrophobicContact CD2-CG 4.24Å; L167-L426 HydrophobicContact CG-CD1 3.88Å; L167-L426 HydrophobicContact CG-CD2 4.14Å; L170-L426 HydrophobicContact CD1-CB 4.46Å; L170-L426 HydrophobicContact CD1-CD1 4.28Å; Q422-L426 PolarHBondContact O-N 3.49Å; E423-L426 WeakPolarHBondContact O-CB 3.45Å; E423-L426 PolarHBondContact O-N 3.48Å; S424-L426 VanDerWaalsContact C-N 3.34Å; S424-L426 PolarHBondContact O-N 3.35Å; L426-W429 PolarHBondContact O-N 2.7Å; L426-L430 HydrophobicContact CD1-CD1 3.73Å; L426-L430 HydrophobicContact CD1-CG 4.07Å; L426-L430 HydrophobicContact CD2-CD1 4.44Å; L426-L430 HydrophobicContact CG-CD1 3.86Å; L426-L430 WeakPolarHBondContact O-CG 3.31Å; L426-L430 PolarHBondContact O-N 3.13Å; L426-R458 HydrophobicContact CD2-CB 4.3Å; L426-F462 HydrophobicContact CD2-CD2 4.19Å
427	N	85.6	Confident	76.9	Confident	30 Å²	30	58 Å²	58	16%	0.16	30%	0.304	C	S	.	.	H	α-helix	trans	-62.2	-49.9	-178	-70	-24.6	0	0	0	111.5	E423 S424 W429 L430 D431 R458	E423-N427 VanDerWaalsContact O-CG 3.32Å; E423-N427 PolarHBondContact O-N 3.32Å; E423-N427 PolarHBondContact O-ND2 3.04Å; S424-N427 PolarHBondContact O-N 3.33Å; N427-W429 PolarHBondContact O-N 2.99Å; N427-L430 PolarHBondContact O-N 3.02Å; N427-D431 WeakPolarHBondContact O-CB 3.2Å; N427-D431 PolarHBondContact O-N 3.41Å; N427-R458 PolarHBondContact O-NH1 3.29Å; N427-R458 WeakPolarHBondContact OD1-CD 3.43Å
428	I	83.1	Confident	75.1	Confident	111 Å²	111	60.7 Å²	60.7	57%	0.569	32%	0.317	S	S	*	.	H	α-helix	trans	-57.2	-41.3	177	-65	163.9	0	0	0	110.8	S424 N432	S424-I428 WeakPolarHBondContact O-CD1 3.41Å; S424-I428 VanDerWaalsContact O-CG1 3.31Å; S424-I428 WeakPolarHBondContact O-CG1 3.14Å; S424-I428 PolarHBondContact O-N 3.37Å; S424-I428 VanDerWaalsContact O-N 3.09Å; I428-N432 WeakPolarHBondContact O-CB 3.34Å; I428-N432 PolarHBondContact O-N 3.04Å
429	W	80.2	Confident	73.6	Confident	9 Å²	9	61.8 Å²	61.8	3%	0.034	32%	0.323	C	S	.	.	H	α-helix	trans	-68.8	-41.9	-178.6	-167.6	89.3	0	0	0	112.9	A166 Y169 L170 H425 L426 N427 D431 N432 L439	A166-W429 HydrophobicContact CB-CE3 3.54Å; A166-W429 HydrophobicContact CB-CH2 4.26Å; A166-W429 HydrophobicContact CB-CZ3 3.4Å; A166-W429 VanDerWaalsContact CB-CZ3 3.4Å; Y169-W429 AromaticContact CD1-CE2 3.81Å; Y169-W429 AromaticContact CD1-CZ2 3.77Å; Y169-W429 HydrophobicContact CD1-CZ2 3.77Å; Y169-W429 AromaticContact CD1-NE1 3.76Å; Y169-W429 AromaticContact CE1-CE2 3.87Å; Y169-W429 AromaticContact CE1-CZ2 3.97Å; Y169-W429 HydrophobicContact CE1-CZ2 3.97Å; Y169-W429 AromaticContact CE1-NE1 3.41Å; L170-W429 HydrophobicContact CD1-CB 4.07Å; L170-W429 HydrophobicContact CD1-CG 4.21Å; L170-W429 HydrophobicContact CD2-CB 4.32Å; L170-W429 HydrophobicContact CD2-CG 3.95Å; L170-W429 HydrophobicContact CG-CG 4.29Å; H425-W429 VanDerWaalsContact O-CB 3.29Å; H425-W429 WeakPolarHBondContact O-CB 3.3Å; H425-W429 PolarHBondContact O-N 3.36Å; H425-W429 VanDerWaalsContact O-N 3.08Å; L426-W429 PolarHBondContact O-N 2.7Å; N427-W429 PolarHBondContact O-N 2.99Å; W429-D431 VanDerWaalsContact C-N 3.34Å; W429-N432 PolarHBondContact O-N 3.03Å; W429-L439 HydrophobicContact CH2-CD1 3.35Å; W429-L439 HydrophobicContact CH2-CG 3.7Å; W429-L439 HydrophobicContact CZ3-CD1 3.75Å
430	L	81.4	Confident	71.6	Confident	6 Å²	6	58 Å²	58	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-71.1	-30.1	178	-73.6	171.7	0	0	0	113	K162 V163 A166 L426 N427 K436 R458	K162-L430 HydrophobicContact CG-CD2 4.19Å; V163-L430 HydrophobicContact CG2-CD1 3.95Å; A166-L430 HydrophobicContact CB-CD2 3.99Å; A166-L430 HydrophobicContact CB-CG 4.49Å; L426-L430 HydrophobicContact CD1-CD1 3.73Å; L426-L430 HydrophobicContact CD1-CG 4.07Å; L426-L430 HydrophobicContact CD2-CD1 4.44Å; L426-L430 HydrophobicContact CG-CD1 3.86Å; L426-L430 WeakPolarHBondContact O-CG 3.31Å; L426-L430 PolarHBondContact O-N 3.13Å; N427-L430 PolarHBondContact O-N 3.02Å; L430-K436 WeakPolarHBondContact O-CE 3.44Å; L430-K436 PolarHBondContact O-NZ 2.74Å; L430-R458 HydrophobicContact CD1-CG 3.93Å
431	D	80.6	Confident	69.6	Low	81 Å²	81	62.4 Å²	62.4	43%	0.433	33%	0.332	S	S	.	.	H	α-helix	trans	-78.7	-27.7	177.4	-64.7	-20.4	0	0	0	112.3	N427 W429 D433 H452 R458	N427-D431 WeakPolarHBondContact O-CB 3.2Å; N427-D431 PolarHBondContact O-N 3.41Å; W429-D431 VanDerWaalsContact C-N 3.34Å; D431-D433 PolarHBondContact O-N 3.12Å; D431-H452 IonicContact OD1-CD2 3Å; D431-H452 IonicContact OD1-NE2 3.71Å; D431-R458 IonicContact OD1-CZ 2.67Å; D431-R458 VanDerWaalsContact OD1-CZ 3.23Å; D431-R458 IonicContact OD1-NH1 2.7Å; D431-R458 PolarHBondContact OD1-NH1 3.34Å; D431-R458 IonicContact OD1-NH2 2.85Å; D431-R458 PolarHBondContact OD1-NH2 2.74Å; D431-R458 IonicContact OD2-NH1 2.65Å; D431-R458 PolarHBondContact OD2-NH1 3.45Å
432	N	71.5	Confident	67.5	Low	70 Å²	70	64.7 Å²	64.7	37%	0.374	35%	0.348	S	S	.	.			trans	-82.4	103.3	178.2	-167.1	-14.7	0	0	0	111.9	I428 W429 S434 M435	I428-N432 WeakPolarHBondContact O-CB 3.34Å; I428-N432 PolarHBondContact O-N 3.04Å; W429-N432 PolarHBondContact O-N 3.03Å; N432-S434 VanDerWaalsContact C-N 3.26Å; N432-S434 PolarHBondContact O-N 3.39Å; N432-S434 PolarHBondContact OD1-N 3.21Å; N432-M435 PolarHBondContact O-N 2.95Å
433	D	58	Low	65.3	Low	76 Å²	76	62.9 Å²	62.9	41%	0.406	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-60.8	-31.6	179.1	-88	-14.1	0	0	0	113.5	D431 M435 K436 H450	D431-D433 PolarHBondContact O-N 3.12Å; D433-M435 VanDerWaalsContact C-N 3.26Å; D433-M435 PolarHBondContact O-N 2.84Å; D433-K436 PolarHBondContact O-N 3.18Å; D433-K436 WeakPolarHBondContact OD1-CE 3.38Å; D433-K436 IonicContact OD1-NZ 3Å; D433-K436 PolarHBondContact OD1-NZ 3.24Å; D433-H450 IonicContact OD1-ND1 2.59Å; D433-H450 IonicContact OD2-CE1 3.25Å; D433-H450 PolarHBondContact OD2-CE1 2.98Å; D433-H450 IonicContact OD2-ND1 3.42Å; D433-H450 PolarHBondContact OD2-ND1 3.43Å
434	S	55.3	Low	63.2	Low	100 Å²	100	67.9 Å²	67.9	70%	0.699	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-68.9	-22.5	-175.4	-170.2	0	0	0	0	113.5	N432	N432-S434 VanDerWaalsContact C-N 3.26Å; N432-S434 PolarHBondContact O-N 3.39Å; N432-S434 PolarHBondContact OD1-N 3.21Å
435	M	53.5	Low	61.3	Low	88 Å²	88	69 Å²	69	43%	0.433	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-86.5	-9.4	-178.7	-82.1	-178.8	160.1	0	0	113.5	N432 D433 M437	N432-M435 PolarHBondContact O-N 2.95Å; D433-M435 VanDerWaalsContact C-N 3.26Å; D433-M435 PolarHBondContact O-N 2.84Å; M435-M437 VanDerWaalsContact C-N 3.26Å; M435-M437 PolarHBondContact O-N 3.37Å
436	K	53.9	Low	59.2	Low	48 Å²	48	72 Å²	72	21%	0.209	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-71.1	-17.3	-173.9	-67.8	176.3	-177.9	162.6	0	114.2	L430 D433 H438 L439	L430-K436 WeakPolarHBondContact O-CE 3.44Å; L430-K436 PolarHBondContact O-NZ 2.74Å; D433-K436 PolarHBondContact O-N 3.18Å; D433-K436 WeakPolarHBondContact OD1-CE 3.38Å; D433-K436 IonicContact OD1-NZ 3Å; D433-K436 PolarHBondContact OD1-NZ 3.24Å; K436-H438 PolarHBondContact O-N 3.26Å; K436-L439 PolarHBondContact O-N 2.9Å; K436-L439 VanDerWaalsContact O-N 3.12Å
437	M	50.5	Low	57.3	Low	138 Å²	138	81 Å²	81	68%	0.68	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-57.3	-19.1	177.6	-69.4	-69.4	110.7	0	0	113.6	M435	M435-M437 VanDerWaalsContact C-N 3.26Å; M435-M437 PolarHBondContact O-N 3.37Å
438	H	50.8	Low	55.2	Low	59 Å²	59	82.5 Å²	82.5	27%	0.273	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-83.8	-19.1	179.9	-63.8	-64	0	0	0	114.8	Y169 K436 G440 T484 S488	Y169-H438 HydrophobicContact CE2-CB 3.9Å; K436-H438 PolarHBondContact O-N 3.26Å; H438-G440 PolarHBondContact O-N 3.19Å; H438-G440 VanDerWaalsContact O-N 3.15Å; H438-T484 PolarHBondContact O-OG1 3.04Å; H438-S488 PolarHBondContact CE1-OG 2.64Å; H438-S488 PolarHBondContact ND1-OG 3.26Å
439	L	51.4	Low	53.6	Low	39 Å²	39	82.7 Å²	82.7	20%	0.204	45%	0.454	C	S	.	.	S	Bend	trans	-78.4	93.4	165.6	-73.4	164.2	0	0	0	106.3	S165 W429 K436 N441	S165-L439 VanDerWaalsContact CB-CD2 3.42Å; W429-L439 HydrophobicContact CH2-CD1 3.35Å; W429-L439 HydrophobicContact CH2-CG 3.7Å; W429-L439 HydrophobicContact CZ3-CD1 3.75Å; K436-L439 PolarHBondContact O-N 2.9Å; K436-L439 VanDerWaalsContact O-N 3.12Å; L439-N441 PolarHBondContact O-N 3.4Å; L439-N441 VanDerWaalsContact O-N 3.14Å
440	G	45.4	Very low	52.4	Low	22 Å²	22	89.1 Å²	89.1	23%	0.227	49%	0.485	C	S	.	.			trans	-43.1	125	-175.8	0	0	0	0	0	111.3	H438 S442	H438-G440 PolarHBondContact O-N 3.19Å; H438-G440 VanDerWaalsContact O-N 3.15Å; G440-S442 PolarHBondContact O-N 3Å
441	N	43.5	Very low	51.9	Low	118 Å²	118	93.4 Å²	93.4	63%	0.631	50%	0.5	S	S	*	.			trans	-21.2	100.8	-173.3	-58.7	-5.5	0	0	0	112.7	L439 A443	L439-N441 PolarHBondContact O-N 3.4Å; L439-N441 VanDerWaalsContact O-N 3.14Å; N441-A443 PolarHBondContact O-N 3.42Å
442	S	44	Very low	52	Low	50 Å²	50	95.2 Å²	95.2	35%	0.35	51%	0.506	S	S	.	.			trans	-59.9	92.3	158.3	170.1	0	0	0	0	106.1	G440 F444 L445	G440-S442 PolarHBondContact O-N 3Å; S442-F444 PolarHBondContact O-N 3.34Å; S442-L445 PolarHBondContact O-N 2.9Å; S442-L445 VanDerWaalsContact O-N 3.14Å
443	A	40.2	Very low	52.7	Low	69 Å²	69	92 Å²	92	57%	0.57	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	21.6	-175.8	0	0	0	0	0	113.1	N441	N441-A443 PolarHBondContact O-N 3.42Å
444	F	41.7	Very low	54.3	Low	190 Å²	190	89.8 Å²	89.8	83%	0.833	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.1	-8.3	173	-87.7	-78.3	0	0	0	114.2	S442 N446	S442-F444 PolarHBondContact O-N 3.34Å; F444-N446 PolarHBondContact O-N 3.12Å
445	L	44.3	Very low	55.8	Low	76 Å²	76	88.9 Å²	88.9	40%	0.398	47%	0.466	S	S	.	.	S	Bend	trans	-91.5	97.5	169.1	-65	179.7	0	0	0	107.5	S442 E447	S442-L445 PolarHBondContact O-N 2.9Å; S442-L445 VanDerWaalsContact O-N 3.14Å; L445-E447 PolarHBondContact O-N 2.84Å
446	N	41.5	Very low	57.6	Low	133 Å²	133	88.3 Å²	88.3	71%	0.711	47%	0.465	S	S	*	.			trans	-36.1	128.8	162.9	-68.9	-29.1	0	0	0	109	F444 G448 E449	F444-N446 PolarHBondContact O-N 3.12Å; N446-G448 PolarHBondContact O-N 3.29Å; N446-E449 PolarHBondContact O-N 3.49Å
447	E	47.6	Very low	59.5	Low	188 Å²	188	86 Å²	86	88%	0.879	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	4.9	-178.8	-71.8	-85.1	151.6	0	0	115.9	L445	L445-E447 PolarHBondContact O-N 2.84Å
448	G	41.9	Very low	61.5	Low	61 Å²	61	79.5 Å²	79.5	63%	0.629	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	-5.3	-173.4	0	0	0	0	0	117.2	N446	N446-G448 PolarHBondContact O-N 3.29Å
449	E	49.3	Very low	63.5	Low	115 Å²	115	78 Å²	78	54%	0.537	42%	0.42	S	S	.	.			trans	-107.7	86.2	-179.5	-69.8	-175.4	173.1	0	0	111.6	N446 R451	N446-E449 PolarHBondContact O-N 3.49Å; E449-R451 HydrophobicContact CB-CG 4.05Å; E449-R451 PolarHBondContact O-N 3.43Å; E449-R451 IonicContact OE2-CZ 2.9Å; E449-R451 IonicContact OE2-NE 2.64Å; E449-R451 PolarHBondContact OE2-NE 3.09Å; E449-R451 IonicContact OE2-NH2 2.91Å; E449-R451 PolarHBondContact OE2-NH2 3.4Å
450	H	53.3	Low	65.6	Low	144 Å²	144	77.5 Å²	77.5	67%	0.667	42%	0.422	S	S	*	.			trans	-63.2	72.6	166.7	-64.9	-94.7	0	0	0	110.3	D433 H452	D433-H450 IonicContact OD1-ND1 2.59Å; D433-H450 IonicContact OD2-CE1 3.25Å; D433-H450 PolarHBondContact OD2-CE1 2.98Å; D433-H450 IonicContact OD2-ND1 3.42Å; D433-H450 PolarHBondContact OD2-ND1 3.43Å; H450-H452 PolarHBondContact O-N 2.9Å
451	R	71.5	Confident	68	Low	96 Å²	96	76.5 Å²	76.5	36%	0.362	41%	0.411	S	S	.	.			trans	-78.9	109.6	178.3	-55.3	-170.3	-147.5	-167	9.5	109.7	W158 K162 E449	W158-R451 HydrophobicContact CH2-CB 3.29Å; W158-R451 HydrophobicContact CH2-CG 4.41Å; W158-R451 HydrophobicContact CZ2-CB 3.71Å; W158-R451 HydrophobicContact CZ2-CG 4.42Å; W158-R451 HydrophobicContact CZ3-CB 3.8Å; K162-R451 PolarHBondContact NZ-O 2.93Å; E449-R451 HydrophobicContact CB-CG 4.05Å; E449-R451 PolarHBondContact O-N 3.43Å; E449-R451 IonicContact OE2-CZ 2.9Å; E449-R451 IonicContact OE2-NE 2.64Å; E449-R451 PolarHBondContact OE2-NE 3.09Å; E449-R451 IonicContact OE2-NH2 2.91Å; E449-R451 PolarHBondContact OE2-NH2 3.4Å
452	H	82.9	Confident	70.4	Confident	119 Å²	119	71.6 Å²	71.6	55%	0.551	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-77.1	129.5	172.6	175.4	-86.3	0	0	0	109.9	D431 H450 R458	D431-H452 IonicContact OD1-CD2 3Å; D431-H452 IonicContact OD1-NE2 3.71Å; H450-H452 PolarHBondContact O-N 2.9Å; H452-R458 PolarHBondContact CD2-NH2 3.07Å; H452-R458 PolarHBondContact NE2-NH2 2.79Å; H452-R458 VanDerWaalsContact NE2-NH2 3.1Å
453	V	86.5	Confident	72.8	Confident	2 Å²	2	72.8 Å²	72.8	1%	0.012	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-89.2	125.6	174	-175.7	0	0	0	0	108.4	W158 M159 K162 V163 I457 R458	W158-V453 HydrophobicContact CH2-CG2 3.74Å; W158-V453 HydrophobicContact CZ3-CG2 3.57Å; M159-V453 HydrophobicContact CB-CG1 4.24Å; M159-V453 HydrophobicContact CB-CG2 4.47Å; M159-V453 HydrophobicContact CG-CG1 4.41Å; M159-V453 HydrophobicContact CG-CG2 4.39Å; K162-V453 HydrophobicContact CD-CG2 4.25Å; V163-V453 HydrophobicContact CG2-CG1 4.15Å; V453-I457 HydrophobicContact CG1-CB 4.24Å; V453-I457 HydrophobicContact CG1-CG2 3.96Å; V453-R458 HydrophobicContact CB-CG 4.24Å; V453-R458 HydrophobicContact CG1-CG 3.9Å; V453-R458 PolarHBondContact O-NE 2.8Å; V453-R458 PolarHBondContact O-NH2 3.12Å
454	P	90.4	Very high	75.4	Confident	30 Å²	30	70.2 Å²	70.2	20%	0.195	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-55.5	143.9	174.6	-27.1	35.5	0	0	0	113.8	V153 D456 I457 R458	V153-P454 HydrophobicContact CG1-CG 4.47Å; P454-D456 VanDerWaalsContact C-N 3.35Å; P454-D456 WeakPolarHBondContact CB-OD1 3.11Å; P454-D456 PolarHBondContact O-N 3.26Å; P454-I457 HydrophobicContact CB-CB 4.49Å; P454-I457 HydrophobicContact CB-CD1 4.27Å; P454-I457 HydrophobicContact CB-CG1 4.3Å; P454-I457 HydrophobicContact CG-CD1 4.04Å; P454-I457 PolarHBondContact O-N 3.23Å; P454-R458 WeakPolarHBondContact O-CG 3.3Å; P454-R458 PolarHBondContact O-N 2.84Å
455	N	88.7	Confident	78	Confident	82 Å²	82	61.2 Å²	61.2	44%	0.439	33%	0.326	S	S	.	.	H	α-helix	trans	-64.7	-35.1	-174.3	-74.1	-22.1	0	0	0	113.6	I457 R458 A459	N455-I457 VanDerWaalsContact C-N 3.34Å; N455-R458 WeakPolarHBondContact O-CB 3.44Å; N455-R458 PolarHBondContact O-N 3.48Å; N455-R458 PolarHBondContact OD1-NH1 3.37Å; N455-A459 PolarHBondContact O-N 2.72Å
456	D	91.3	Very high	80.3	Confident	75 Å²	75	61.4 Å²	61.4	40%	0.401	32%	0.321	S	S	.	.	H	α-helix	trans	-66.2	-36.1	176.4	62.9	-49.6	0	0	0	112.1	R147 P454 A459 A460	R147-D456 IonicContact CZ-OD2 3.18Å; R147-D456 IonicContact NH1-OD2 3.44Å; R147-D456 PolarHBondContact NH1-OD2 2.87Å; R147-D456 IonicContact NH2-OD2 2.61Å; R147-D456 PolarHBondContact NH2-OD2 3.4Å; P454-D456 VanDerWaalsContact C-N 3.35Å; P454-D456 WeakPolarHBondContact CB-OD1 3.11Å; P454-D456 PolarHBondContact O-N 3.26Å; D456-A459 PolarHBondContact O-N 2.98Å; D456-A460 PolarHBondContact O-N 2.97Å; D456-A460 VanDerWaalsContact O-N 3.08Å
457	I	93.4	Very high	82.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-68.2	-42	172	-64.6	-179.9	0	0	0	110.6	V153 V155 M159 V453 P454 N455 A459 A460 I461	V153-I457 HydrophobicContact CB-CD1 4.26Å; V153-I457 HydrophobicContact CG1-CD1 4.02Å; V155-I457 HydrophobicContact CG1-CG2 4.2Å; V155-I457 HydrophobicContact CG2-CD1 4.33Å; V155-I457 HydrophobicContact CG2-CG1 4.24Å; V155-I457 HydrophobicContact CG2-CG2 4.02Å; M159-I457 HydrophobicContact CB-CG2 4.45Å; M159-I457 HydrophobicContact SD-CD1 3.81Å; M159-I457 HydrophobicContact SD-CG2 4.25Å; V453-I457 HydrophobicContact CG1-CB 4.24Å; V453-I457 HydrophobicContact CG1-CG2 3.96Å; P454-I457 HydrophobicContact CB-CB 4.49Å; P454-I457 HydrophobicContact CB-CD1 4.27Å; P454-I457 HydrophobicContact CB-CG1 4.3Å; P454-I457 HydrophobicContact CG-CD1 4.04Å; P454-I457 PolarHBondContact O-N 3.23Å; N455-I457 VanDerWaalsContact C-N 3.34Å; I457-A459 VanDerWaalsContact C-N 3.31Å; I457-A459 PolarHBondContact O-N 3.01Å; I457-A460 PolarHBondContact O-N 3.2Å; I457-I461 HydrophobicContact CG2-CD1 3.59Å; I457-I461 HydrophobicContact CG2-CG1 4.3Å; I457-I461 VanDerWaalsContact O-CG1 3.31Å; I457-I461 WeakPolarHBondContact O-CG1 3.17Å; I457-I461 PolarHBondContact O-N 2.95Å
458	R	92.9	Very high	85.1	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-57.1	-45.1	174.8	-64.2	173	-166.8	-173.9	-0	111.2	V163 L426 N427 L430 D431 H452 V453 P454 N455 I461 F462	V163-R458 HydrophobicContact CG2-CG 4.3Å; L426-R458 HydrophobicContact CD2-CB 4.3Å; N427-R458 PolarHBondContact O-NH1 3.29Å; N427-R458 WeakPolarHBondContact OD1-CD 3.43Å; L430-R458 HydrophobicContact CD1-CG 3.93Å; D431-R458 IonicContact OD1-CZ 2.67Å; D431-R458 VanDerWaalsContact OD1-CZ 3.23Å; D431-R458 IonicContact OD1-NH1 2.7Å; D431-R458 PolarHBondContact OD1-NH1 3.34Å; D431-R458 IonicContact OD1-NH2 2.85Å; D431-R458 PolarHBondContact OD1-NH2 2.74Å; D431-R458 IonicContact OD2-NH1 2.65Å; D431-R458 PolarHBondContact OD2-NH1 3.45Å; H452-R458 PolarHBondContact CD2-NH2 3.07Å; H452-R458 PolarHBondContact NE2-NH2 2.79Å; H452-R458 VanDerWaalsContact NE2-NH2 3.1Å; V453-R458 HydrophobicContact CB-CG 4.24Å; V453-R458 HydrophobicContact CG1-CG 3.9Å; V453-R458 PolarHBondContact O-NE 2.8Å; V453-R458 PolarHBondContact O-NH2 3.12Å; P454-R458 WeakPolarHBondContact O-CG 3.3Å; P454-R458 PolarHBondContact O-N 2.84Å; N455-R458 WeakPolarHBondContact O-CB 3.44Å; N455-R458 PolarHBondContact O-N 3.48Å; N455-R458 PolarHBondContact OD1-NH1 3.37Å; R458-I461 PolarHBondContact O-N 3.32Å; R458-F462 WeakPolarHBondContact O-CB 3.2Å; R458-F462 PolarHBondContact O-N 3.5Å
459	A	92.8	Very high	87.5	Confident	26 Å²	26	49.5 Å²	49.5	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-45.9	177.8	0	0	0	0	0	112.2	E423 N455 D456 I457 I461 F462 V463	E423-A459 VanDerWaalsContact OE1-CB 3.23Å; E423-A459 WeakPolarHBondContact OE1-CB 3.34Å; N455-A459 PolarHBondContact O-N 2.72Å; D456-A459 PolarHBondContact O-N 2.98Å; I457-A459 VanDerWaalsContact C-N 3.31Å; I457-A459 PolarHBondContact O-N 3.01Å; A459-I461 PolarHBondContact O-N 2.99Å; A459-F462 WeakPolarHBondContact O-CB 2.95Å; A459-F462 PolarHBondContact O-N 3.17Å; A459-V463 PolarHBondContact O-N 2.93Å; A459-V463 VanDerWaalsContact O-N 3.14Å
460	A	93.8	Very high	89.5	Confident	30 Å²	30	49.9 Å²	49.9	25%	0.248	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-45.9	177.6	0	0	0	0	0	111.9	W139 D456 I457 F462 V463 Y464	W139-A460 HydrophobicContact CH2-CB 4.49Å; D456-A460 PolarHBondContact O-N 2.97Å; D456-A460 VanDerWaalsContact O-N 3.08Å; I457-A460 PolarHBondContact O-N 3.2Å; A460-F462 VanDerWaalsContact C-N 3.34Å; A460-F462 PolarHBondContact O-N 3.48Å; A460-V463 PolarHBondContact O-N 3.41Å; A460-Y464 PolarHBondContact O-N 3.35Å
461	I	95.6	Very high	91.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.4	-36.9	177.3	-63	163.2	0	0	0	111.1	W139 V155 L160 V163 I164 I457 R458 A459 V463 Y464 W465	W139-I461 HydrophobicContact CH2-CG1 3.93Å; W139-I461 HydrophobicContact CZ3-CG1 4.2Å; V155-I461 HydrophobicContact CG1-CD1 4.41Å; L160-I461 HydrophobicContact CD1-CB 4.38Å; L160-I461 HydrophobicContact CD1-CD1 4.35Å; L160-I461 HydrophobicContact CD1-CG1 3.87Å; L160-I461 HydrophobicContact CD1-CG2 3.75Å; V163-I461 HydrophobicContact CB-CB 4.25Å; V163-I461 HydrophobicContact CB-CD1 3.96Å; V163-I461 HydrophobicContact CB-CG2 3.77Å; V163-I461 HydrophobicContact CG1-CB 3.83Å; V163-I461 HydrophobicContact CG1-CD1 4.38Å; V163-I461 HydrophobicContact CG1-CG2 3.48Å; V163-I461 VanDerWaalsContact CG1-CG2 3.48Å; V163-I461 HydrophobicContact CG2-CD1 3.91Å; I164-I461 HydrophobicContact CD1-CG2 4.49Å; I164-I461 HydrophobicContact CG1-CG2 3.81Å; I457-I461 HydrophobicContact CG2-CD1 3.59Å; I457-I461 HydrophobicContact CG2-CG1 4.3Å; I457-I461 VanDerWaalsContact O-CG1 3.31Å; I457-I461 WeakPolarHBondContact O-CG1 3.17Å; I457-I461 PolarHBondContact O-N 2.95Å; R458-I461 PolarHBondContact O-N 3.32Å; A459-I461 PolarHBondContact O-N 2.99Å; I461-V463 VanDerWaalsContact C-N 3.31Å; I461-V463 PolarHBondContact O-N 3.1Å; I461-Y464 PolarHBondContact O-N 2.91Å; I461-W465 WeakPolarHBondContact O-CB 3.25Å; I461-W465 PolarHBondContact O-N 3.29Å
462	F	94.2	Very high	92.1	Very high	15 Å²	15	45.4 Å²	45.4	7%	0.066	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-43.6	176.1	-175.8	-91	0	0	0	111.9	L167 V421 L426 R458 A459 A460 W465 R466	L167-F462 HydrophobicContact CD1-CB 4.42Å; L167-F462 HydrophobicContact CD1-CD2 3.92Å; L167-F462 HydrophobicContact CD2-CD2 3.41Å; L167-F462 VanDerWaalsContact CD2-CD2 3.41Å; L167-F462 HydrophobicContact CD2-CE2 3.56Å; L167-F462 HydrophobicContact CG-CD2 4.31Å; V421-F462 HydrophobicContact CG1-CE2 4.25Å; V421-F462 WeakPolarHBondContact O-CZ 3.38Å; L426-F462 HydrophobicContact CD2-CD2 4.19Å; R458-F462 WeakPolarHBondContact O-CB 3.2Å; R458-F462 PolarHBondContact O-N 3.5Å; A459-F462 WeakPolarHBondContact O-CB 2.95Å; A459-F462 PolarHBondContact O-N 3.17Å; A460-F462 VanDerWaalsContact C-N 3.34Å; A460-F462 PolarHBondContact O-N 3.48Å; F462-W465 HydrophobicContact CD2-CE3 4.5Å; F462-W465 HydrophobicContact CE2-CE3 4.41Å; F462-W465 HydrophobicContact CE2-CZ3 4.18Å; F462-W465 HydrophobicContact CZ-CZ3 4.42Å; F462-R466 HydrophobicContact CE1-CG 4.37Å; F462-R466 WeakPolarHBondContact O-CG 3.48Å; F462-R466 PolarHBondContact O-N 3.45Å
463	V	94.7	Very high	92.4	Very high	76 Å²	76	48.1 Å²	48.1	46%	0.461	25%	0.253	S	S	.	.	H	α-helix	trans	-65.3	-44.8	175.6	176.2	0	0	0	0	110.9	A459 A460 I461 R466 L467	A459-V463 PolarHBondContact O-N 2.93Å; A459-V463 VanDerWaalsContact O-N 3.14Å; A460-V463 PolarHBondContact O-N 3.41Å; I461-V463 VanDerWaalsContact C-N 3.31Å; I461-V463 PolarHBondContact O-N 3.1Å; V463-R466 PolarHBondContact O-N 3.44Å; V463-L467 HydrophobicContact CG1-CD1 4.34Å; V463-L467 PolarHBondContact O-N 3.27Å; V463-L467 VanDerWaalsContact O-N 3.17Å
464	Y	95.9	Very high	92.5	Very high	15 Å²	15	49.9 Å²	49.9	6%	0.059	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-46	177.8	176.4	-113.2	0	0	0	112.7	D136 W139 L160 I164 A460 I461 R466 L467 K468	D136-Y464 WeakPolarHBondContact OD1-CE1 3.31Å; D136-Y464 PolarHBondContact OD1-OH 3.31Å; W139-Y464 HydrophobicContact CB-CD2 4.29Å; W139-Y464 HydrophobicContact CB-CE2 3.68Å; W139-Y464 AromaticContact CD1-CD2 3.3Å; W139-Y464 AromaticContact CD1-CE2 3.5Å; W139-Y464 VanDerWaalsContact CD1-CE2 3.5Å; W139-Y464 HydrophobicContact CD2-CD1 4Å; W139-Y464 AromaticContact CD2-CD2 3.64Å; W139-Y464 HydrophobicContact CD2-CD2 3.64Å; W139-Y464 HydrophobicContact CD2-CE1 4.27Å; W139-Y464 AromaticContact CD2-CE2 3.92Å; W139-Y464 HydrophobicContact CD2-CE2 3.92Å; W139-Y464 AromaticContact CD2-CG 3.67Å; W139-Y464 HydrophobicContact CD2-CG 3.67Å; W139-Y464 AromaticContact CE2-CD2 3.57Å; W139-Y464 AromaticContact CE2-CG 3.52Å; W139-Y464 HydrophobicContact CE3-CD1 4.1Å; W139-Y464 HydrophobicContact CE3-CE1 4.34Å; W139-Y464 HydrophobicContact CE3-CG 4.19Å; W139-Y464 HydrophobicContact CG-CD1 4.47Å; W139-Y464 AromaticContact CG-CD2 3.47Å; W139-Y464 HydrophobicContact CG-CD2 3.47Å; W139-Y464 VanDerWaalsContact CG-CD2 3.47Å; W139-Y464 HydrophobicContact CG-CE1 4.4Å; W139-Y464 AromaticContact CG-CE2 3.37Å; W139-Y464 HydrophobicContact CG-CE2 3.37Å; W139-Y464 HydrophobicContact CG-CG 4.03Å; W139-Y464 AromaticContact CG-CZ 3.87Å; W139-Y464 HydrophobicContact CH2-CG 4.42Å; W139-Y464 VanDerWaalsContact CZ2-CB 3.5Å; W139-Y464 HydrophobicContact CZ2-CD2 4.38Å; W139-Y464 AromaticContact CZ2-CG 3.92Å; W139-Y464 HydrophobicContact CZ2-CG 3.92Å; W139-Y464 HydrophobicContact CZ3-CD1 4.45Å; W139-Y464 AromaticContact NE1-CD2 3.34Å; W139-Y464 VanDerWaalsContact NE1-CD2 3.34Å; W139-Y464 AromaticContact NE1-CG 3.78Å; L160-Y464 HydrophobicContact CD1-CD1 3.97Å; L160-Y464 HydrophobicContact CD1-CE1 4.22Å; I164-Y464 HydrophobicContact CD1-CD1 4.28Å; I164-Y464 HydrophobicContact CD1-CE1 4.28Å; A460-Y464 PolarHBondContact O-N 3.35Å; I461-Y464 PolarHBondContact O-N 2.91Å; Y464-R466 VanDerWaalsContact C-N 3.3Å; Y464-R466 PolarHBondContact O-N 3.13Å; Y464-L467 WeakPolarHBondContact O-CB 3.22Å; Y464-L467 PolarHBondContact O-N 3.15Å; Y464-L467 VanDerWaalsContact O-N 3.09Å; Y464-K468 HydrophobicContact CE1-CD 4.05Å; Y464-K468 WeakPolarHBondContact O-CB 3.37Å; Y464-K468 PolarHBondContact O-N 3.02Å
465	W	95.2	Very high	92.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-54.9	-44.5	175.8	168.1	73.1	0	0	0	112.2	I164 L167 E168 T171 F417 I461 F462 L467 K468 R469	I164-W465 HydrophobicContact CG1-CB 4.48Å; L167-W465 HydrophobicContact CB-CD2 3.9Å; L167-W465 HydrophobicContact CB-CE3 4.31Å; L167-W465 HydrophobicContact CB-CG 4.2Å; L167-W465 HydrophobicContact CB-CZ2 4.24Å; L167-W465 HydrophobicContact CD1-CB 3.82Å; L167-W465 HydrophobicContact CD1-CD2 3.83Å; L167-W465 HydrophobicContact CD1-CE3 3.91Å; L167-W465 HydrophobicContact CD1-CG 3.78Å; L167-W465 HydrophobicContact CD2-CE3 4.24Å; L167-W465 HydrophobicContact CD2-CZ3 4.29Å; L167-W465 HydrophobicContact CG-CD2 4.34Å; L167-W465 HydrophobicContact CG-CE3 4.39Å; E168-W465 PolarHBondContact OE1-NE1 3.49Å; T171-W465 HydrophobicContact CG2-CH2 4.49Å; T171-W465 HydrophobicContact CG2-CZ2 4.41Å; T171-W465 WeakPolarHBondContact OG1-CH2 3.42Å; T171-W465 WeakPolarHBondContact OG1-CZ2 3.41Å; F417-W465 AromaticContact CD2-CH2 3.48Å; F417-W465 HydrophobicContact CD2-CH2 3.48Å; F417-W465 VanDerWaalsContact CD2-CH2 3.48Å; F417-W465 AromaticContact CD2-CZ2 3.72Å; F417-W465 HydrophobicContact CD2-CZ2 3.72Å; F417-W465 HydrophobicContact CD2-CZ3 4.27Å; F417-W465 HydrophobicContact CE2-CE3 4.34Å; F417-W465 AromaticContact CE2-CH2 3.36Å; F417-W465 HydrophobicContact CE2-CH2 3.36Å; F417-W465 AromaticContact CE2-CZ2 3.54Å; F417-W465 HydrophobicContact CE2-CZ2 3.54Å; F417-W465 AromaticContact CE2-CZ3 3.78Å; F417-W465 HydrophobicContact CE2-CZ3 3.78Å; I461-W465 WeakPolarHBondContact O-CB 3.25Å; I461-W465 PolarHBondContact O-N 3.29Å; F462-W465 HydrophobicContact CD2-CE3 4.5Å; F462-W465 HydrophobicContact CE2-CE3 4.41Å; F462-W465 HydrophobicContact CE2-CZ3 4.18Å; F462-W465 HydrophobicContact CZ-CZ3 4.42Å; W465-L467 VanDerWaalsContact C-N 3.35Å; W465-L467 PolarHBondContact O-N 3.43Å; W465-K468 PolarHBondContact O-N 3.49Å; W465-R469 PolarHBondContact O-N 2.89Å
466	R	93.8	Very high	92.4	Very high	81 Å²	81	52.3 Å²	52.3	31%	0.306	27%	0.274	S	S	.	.	H	α-helix	trans	-60.5	-43.7	176.2	-70.9	171.9	65	-168.8	5.2	112	H418 F462 V463 Y464 R470	H418-R466 HydrophobicContact CB-CG 3.95Å; H418-R466 PolarHBondContact CD2-NH2 3.13Å; H418-R466 VanDerWaalsContact CD2-NH2 3.34Å; F462-R466 HydrophobicContact CE1-CG 4.37Å; F462-R466 WeakPolarHBondContact O-CG 3.48Å; F462-R466 PolarHBondContact O-N 3.45Å; V463-R466 PolarHBondContact O-N 3.44Å; Y464-R466 VanDerWaalsContact C-N 3.3Å; Y464-R466 PolarHBondContact O-N 3.13Å; R466-R470 WeakPolarHBondContact O-CB 3.3Å; R466-R470 WeakPolarHBondContact O-CG 3.45Å; R466-R470 PolarHBondContact O-N 3.09Å; R466-R470 VanDerWaalsContact O-N 3.11Å
467	L	94.3	Very high	92.3	Very high	106 Å²	106	50.5 Å²	50.5	56%	0.555	26%	0.263	S	S	*	.	H	α-helix	trans	-65.5	-44.8	177.7	-69.6	170.2	0	0	0	111	V463 Y464 W465 R470 A471	V463-L467 HydrophobicContact CG1-CD1 4.34Å; V463-L467 PolarHBondContact O-N 3.27Å; V463-L467 VanDerWaalsContact O-N 3.17Å; Y464-L467 WeakPolarHBondContact O-CB 3.22Å; Y464-L467 PolarHBondContact O-N 3.15Å; Y464-L467 VanDerWaalsContact O-N 3.09Å; W465-L467 VanDerWaalsContact C-N 3.35Å; W465-L467 PolarHBondContact O-N 3.43Å; L467-R470 PolarHBondContact O-N 3.06Å; L467-A471 WeakPolarHBondContact O-CB 3.44Å; L467-A471 PolarHBondContact O-N 2.95Å
468	K	94.2	Very high	91.9	Very high	20 Å²	20	50.9 Å²	50.9	9%	0.087	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-45.7	-179.5	-167	168.8	-171.5	169.8	0	112.1	Y130 D133 D136 Y464 W465 R470 A471 N472 L477	Y130-K468 WeakPolarHBondContact OH-CE 3.49Å; Y130-K468 PolarHBondContact OH-NZ 2.99Å; D133-K468 IonicContact OD1-NZ 2.99Å; D133-K468 PolarHBondContact OD1-NZ 2.88Å; D133-K468 WeakPolarHBondContact OD2-CE 3.44Å; D133-K468 IonicContact OD2-NZ 2.61Å; D133-K468 PolarHBondContact OD2-NZ 2.67Å; D136-K468 IonicContact OD1-NZ 2.99Å; D136-K468 PolarHBondContact OD1-NZ 3.31Å; D136-K468 IonicContact OD2-NZ 2.99Å; D136-K468 PolarHBondContact OD2-NZ 2.98Å; D136-K468 VanDerWaalsContact OD2-NZ 3.12Å; Y464-K468 HydrophobicContact CE1-CD 4.05Å; Y464-K468 WeakPolarHBondContact O-CB 3.37Å; Y464-K468 PolarHBondContact O-N 3.02Å; W465-K468 PolarHBondContact O-N 3.49Å; K468-R470 PolarHBondContact O-N 3.18Å; K468-A471 PolarHBondContact O-N 2.84Å; K468-N472 PolarHBondContact O-N 3.15Å; K468-L477 HydrophobicContact CB-CD1 4.3Å; K468-L477 HydrophobicContact CD-CD1 4.13Å; K468-L477 HydrophobicContact CG-CD1 4.15Å; K468-L477 HydrophobicContact CG-CD2 4.13Å
469	R	92	Very high	91.1	Very high	6 Å²	6	56.7 Å²	56.7	2%	0.023	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-42.4	173.6	-91.5	-145	-172.9	-169.2	5.4	112.8	E168 F417 W465 A471 N472 F473 N474 L477	E168-R469 IonicContact OE1-CZ 3.9Å; E168-R469 VanDerWaalsContact OE1-CZ 3.31Å; E168-R469 IonicContact OE1-NE 3.03Å; E168-R469 PolarHBondContact OE1-NE 3Å; E168-R469 IonicContact OE1-NH2 2.77Å; E168-R469 PolarHBondContact OE1-NH2 2.93Å; E168-R469 VanDerWaalsContact OE1-NH2 3.11Å; E168-R469 IonicContact OE2-CZ 3.85Å; E168-R469 IonicContact OE2-NE 3.49Å; E168-R469 IonicContact OE2-NH2 3.83Å; E168-R469 PolarHBondContact OE2-NH2 3.31Å; F417-R469 HydrophobicContact CE1-CB 3.87Å; F417-R469 HydrophobicContact CE2-CB 3.92Å; F417-R469 HydrophobicContact CE2-CG 4.18Å; F417-R469 HydrophobicContact CZ-CB 3.35Å; F417-R469 HydrophobicContact CZ-CG 4.1Å; W465-R469 PolarHBondContact O-N 2.89Å; R469-A471 VanDerWaalsContact C-N 3.34Å; R469-A471 PolarHBondContact O-N 2.9Å; R469-N472 CarbonylContact O-C 3.56Å; R469-N472 VanDerWaalsContact O-C 3.24Å; R469-N472 WeakPolarHBondContact O-CA 3.28Å; R469-N472 PolarHBondContact O-N 3.47Å; R469-N472 VanDerWaalsContact O-N 3.09Å; R469-F473 PolarHBondContact O-N 2.59Å; R469-N474 VanDerWaalsContact O-CA 3.27Å; R469-N474 WeakPolarHBondContact O-CA 3.48Å; R469-N474 PolarHBondContact O-N 3.08Å; R469-L477 HydrophobicContact CG-CD1 4.12Å; R469-L477 HydrophobicContact CG-CD2 3.91Å; R469-L477 HydrophobicContact CG-CG 3.67Å
470	R	91.2	Very high	90.3	Very high	123 Å²	123	59.6 Å²	59.6	46%	0.464	31%	0.314	S	S	.	.	H	α-helix	trans	-63.5	-39.5	177.4	-80.4	179.8	166.4	176.6	-3.8	112.4	F417 H418 R466 L467 K468 N472 F473	F417-R470 HydrophobicContact CE1-CG 4.39Å; H418-R470 PolarHBondContact CE1-NH2 2.81Å; H418-R470 PolarHBondContact NE2-NH2 2.59Å; R466-R470 WeakPolarHBondContact O-CB 3.3Å; R466-R470 WeakPolarHBondContact O-CG 3.45Å; R466-R470 PolarHBondContact O-N 3.09Å; R466-R470 VanDerWaalsContact O-N 3.11Å; L467-R470 PolarHBondContact O-N 3.06Å; K468-R470 PolarHBondContact O-N 3.18Å; R470-N472 PolarHBondContact O-N 3.32Å; R470-F473 PolarHBondContact O-N 3.28Å
471	A	90.8	Very high	89.6	Confident	80 Å²	80	59 Å²	59	66%	0.661	31%	0.309	S	S	*	.	H	α-helix	trans	-63.4	-32.6	173.1	0	0	0	0	0	111.8	L467 K468 R469 F473	L467-A471 WeakPolarHBondContact O-CB 3.44Å; L467-A471 PolarHBondContact O-N 2.95Å; K468-A471 PolarHBondContact O-N 2.84Å; R469-A471 VanDerWaalsContact C-N 3.34Å; R469-A471 PolarHBondContact O-N 2.9Å; A471-F473 VanDerWaalsContact C-N 3.26Å; A471-F473 PolarHBondContact O-N 3.18Å
472	N	89	Confident	88.8	Confident	65 Å²	65	59.1 Å²	59.1	35%	0.348	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	34.3	173.6	-163.1	36.4	0	0	0	113.6	K468 R469 R470 N474 Q475 L477	K468-N472 PolarHBondContact O-N 3.15Å; R469-N472 CarbonylContact O-C 3.56Å; R469-N472 VanDerWaalsContact O-C 3.24Å; R469-N472 WeakPolarHBondContact O-CA 3.28Å; R469-N472 PolarHBondContact O-N 3.47Å; R469-N472 VanDerWaalsContact O-N 3.09Å; R470-N472 PolarHBondContact O-N 3.32Å; N472-N474 PolarHBondContact O-N 3.45Å; N472-N474 VanDerWaalsContact O-N 3.11Å; N472-Q475 WeakPolarHBondContact O-CB 3.26Å; N472-Q475 PolarHBondContact O-N 3.03Å; N472-L477 HydrophobicContact CB-CD2 4.42Å
473	F	90.1	Very high	87.9	Confident	176 Å²	176	64.2 Å²	64.2	77%	0.772	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	37.8	178	-56.6	-80.3	0	0	0	114.4	R469 R470 A471 Q475	R469-F473 PolarHBondContact O-N 2.59Å; R470-F473 PolarHBondContact O-N 3.28Å; A471-F473 VanDerWaalsContact C-N 3.26Å; A471-F473 PolarHBondContact O-N 3.18Å; F473-Q475 PolarHBondContact O-N 3.16Å; F473-Q475 VanDerWaalsContact O-N 3.13Å
474	N	89.1	Confident	87.1	Confident	40 Å²	40	62.6 Å²	62.6	21%	0.214	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	9.5	-177.1	-51.8	-46.4	0	0	0	115.1	F417 R469 N472	F417-N474 HydrophobicContact CD1-CB 4.2Å; F417-N474 HydrophobicContact CE1-CB 4.36Å; R469-N474 VanDerWaalsContact O-CA 3.27Å; R469-N474 WeakPolarHBondContact O-CA 3.48Å; R469-N474 PolarHBondContact O-N 3.08Å; N472-N474 PolarHBondContact O-N 3.45Å; N472-N474 VanDerWaalsContact O-N 3.11Å
475	Q	87.9	Confident	86.4	Confident	109 Å²	109	62.1 Å²	62.1	51%	0.509	33%	0.325	S	S	.	.			trans	-70.4	144.2	176.4	-65.4	-169.2	-7.4	0	0	111.2	N472 F473	N472-Q475 WeakPolarHBondContact O-CB 3.26Å; N472-Q475 PolarHBondContact O-N 3.03Å; F473-Q475 PolarHBondContact O-N 3.16Å; F473-Q475 VanDerWaalsContact O-N 3.13Å
476	P	88.6	Confident	85.6	Confident	54 Å²	54	66.3 Å²	66.3	35%	0.351	34%	0.344	S	S	.	.			trans	-54.3	138.8	174.2	-25.2	34.6	0	0	0	112.6	V478	P476-V478 VanDerWaalsContact C-N 3.31Å
477	L	88.3	Confident	84.8	Confident	36 Å²	36	67.9 Å²	67.9	19%	0.188	36%	0.355	C	S	.	.	S	Bend	trans	-77.9	-22.9	178.7	-56	-179	0	0	0	111.7	Y130 I164 E168 K468 R469 N472	Y130-L477 HydrophobicContact CD2-CB 4.09Å; Y130-L477 HydrophobicContact CE2-CB 3.96Å; Y130-L477 HydrophobicContact CE2-CD1 4.09Å; I164-L477 HydrophobicContact CG2-CD1 4.11Å; E168-L477 HydrophobicContact CG-CB 4.29Å; E168-L477 WeakPolarHBondContact OE1-CG 3.34Å; E168-L477 PolarHBondContact OE1-N 3.49Å; E168-L477 PolarHBondContact OE2-N 3.45Å; K468-L477 HydrophobicContact CB-CD1 4.3Å; K468-L477 HydrophobicContact CD-CD1 4.13Å; K468-L477 HydrophobicContact CG-CD1 4.15Å; K468-L477 HydrophobicContact CG-CD2 4.13Å; R469-L477 HydrophobicContact CG-CD1 4.12Å; R469-L477 HydrophobicContact CG-CD2 3.91Å; R469-L477 HydrophobicContact CG-CG 3.67Å; N472-L477 HydrophobicContact CB-CD2 4.42Å
478	V	85.6	Confident	84	Confident	9 Å²	9	63.1 Å²	63.1	6%	0.055	33%	0.33	C	S	.	.	S	Bend	trans	-107.8	106.4	171.4	179.3	0	0	0	0	108.9	P128 Y130 E168 P476 P482 W485	P128-V478 HydrophobicContact CB-CG1 4.42Å; P128-V478 VanDerWaalsContact O-CG1 3.31Å; P128-V478 WeakPolarHBondContact O-CG1 3.3Å; Y130-V478 HydrophobicContact CD2-CG2 4.32Å; E168-V478 HydrophobicContact CB-CG2 4.23Å; E168-V478 HydrophobicContact CG-CG2 4.05Å; E168-V478 PolarHBondContact OE2-N 3.2Å; P476-V478 VanDerWaalsContact C-N 3.31Å; V478-P482 HydrophobicContact CG1-CG 4.48Å; V478-W485 HydrophobicContact CB-CH2 3.82Å; V478-W485 HydrophobicContact CB-CZ3 4.05Å; V478-W485 HydrophobicContact CG1-CH2 3.81Å; V478-W485 HydrophobicContact CG1-CZ3 4.08Å; V478-W485 HydrophobicContact CG2-CH2 4.03Å
479	N	76.9	Confident	83.1	Confident	123 Å²	123	62.1 Å²	62.1	66%	0.658	33%	0.326	S	S	*	.	S	Bend	trans	-141.2	127.2	-179.6	-169.3	7.5	0	0	0	110.2
480	P	75.8	Confident	82.2	Confident	87 Å²	87	64.7 Å²	64.7	57%	0.565	34%	0.34	S	S	*	.	S	Bend	cis	-70	147.1	-2.5	30.6	-35	0	0	0	113	P128	P128-P480 WeakPolarHBondContact CG-O 3.39Å
481	A	79.1	Confident	81.4	Confident	17 Å²	17	65.4 Å²	65.4	14%	0.14	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-57.1	131.9	173.1	0	0	0	0	0	110.5	Y172 W485	Y172-A481 HydrophobicContact CD2-CB 3.76Å; Y172-A481 HydrophobicContact CE2-CB 3.49Å; Y172-A481 VanDerWaalsContact CE2-CB 3.49Å; Y172-A481 HydrophobicContact CG-CB 4.4Å; A481-W485 HydrophobicContact CB-CE3 4.19Å
482	P	77.9	Confident	80.6	Confident	4 Å²	4	64 Å²	64	3%	0.026	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-47.6	145	174.4	-32.8	35.4	0	0	0	114.2	A127 P128 V478 T484 W485 K486	A127-P482 HydrophobicContact CB-CB 4.12Å; A127-P482 HydrophobicContact CB-CG 4.4Å; P128-P482 HydrophobicContact CG-CG 3.89Å; P128-P482 WeakPolarHBondContact O-CG 3.44Å; V478-P482 HydrophobicContact CG1-CG 4.48Å; P482-T484 PolarHBondContact O-N 3.27Å; P482-W485 HydrophobicContact CB-CB 4.37Å; P482-W485 HydrophobicContact CB-CD2 4.16Å; P482-W485 HydrophobicContact CB-CG 3.84Å; P482-W485 HydrophobicContact CG-CD2 3.78Å; P482-W485 HydrophobicContact CG-CE3 4.33Å; P482-W485 HydrophobicContact CG-CG 4.01Å; P482-W485 HydrophobicContact CG-CZ2 4.06Å; P482-W485 WeakPolarHBondContact O-CB 3.41Å; P482-W485 PolarHBondContact O-N 2.91Å; P482-K486 PolarHBondContact O-N 3.38Å
483	L	75.5	Confident	79.5	Confident	121 Å²	121	61 Å²	61	63%	0.634	32%	0.315	S	S	*	.	H	α-helix	trans	-58.6	-37.6	175.9	-143.5	87.9	0	0	0	111.6	W485 K486 E487	L483-W485 VanDerWaalsContact C-N 3.25Å; L483-W485 PolarHBondContact O-N 3.25Å; L483-K486 WeakPolarHBondContact O-CA 2.99Å; L483-K486 WeakPolarHBondContact O-CB 3.28Å; L483-K486 PolarHBondContact O-N 3.12Å; L483-E487 WeakPolarHBondContact O-CG 3.46Å; L483-E487 PolarHBondContact O-N 2.66Å
484	T	77.6	Confident	78.4	Confident	42 Å²	42	54.9 Å²	54.9	26%	0.258	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-35.8	176.5	55.9	0	0	0	0	112.3	H438 P482 S488	H438-T484 PolarHBondContact O-OG1 3.04Å; P482-T484 PolarHBondContact O-N 3.27Å; T484-S488 WeakPolarHBondContact O-CB 3.48Å; T484-S488 PolarHBondContact O-N 3.34Å; T484-S488 PolarHBondContact O-OG 3.28Å
485	W	82.1	Confident	77.4	Confident	5 Å²	5	56.9 Å²	56.9	2%	0.019	31%	0.311	C	S	.	.	H	α-helix	trans	-70.7	-39.5	176	-61.9	7.5	0	0	0	110.7	E168 Y169 Y172 V478 A481 P482 L483 S488 A489	E168-W485 HydrophobicContact CB-CH2 3.57Å; E168-W485 HydrophobicContact CB-CZ3 3.86Å; Y169-W485 HydrophobicContact CD2-CB 4.22Å; Y169-W485 AromaticContact CD2-CD1 3.46Å; Y169-W485 VanDerWaalsContact CD2-CD1 3.46Å; Y169-W485 AromaticContact CD2-CD2 3.95Å; Y169-W485 HydrophobicContact CD2-CD2 3.95Å; Y169-W485 AromaticContact CD2-CG 3.63Å; Y169-W485 HydrophobicContact CD2-CG 3.63Å; Y169-W485 AromaticContact CD2-NE1 3.68Å; Y169-W485 HydrophobicContact CE2-CG 4.28Å; Y172-W485 HydrophobicContact CD1-CB 3.76Å; Y172-W485 HydrophobicContact CD1-CE3 4.43Å; Y172-W485 HydrophobicContact CE1-CB 3.99Å; Y172-W485 HydrophobicContact CG-CE3 4.11Å; V478-W485 HydrophobicContact CB-CH2 3.82Å; V478-W485 HydrophobicContact CB-CZ3 4.05Å; V478-W485 HydrophobicContact CG1-CH2 3.81Å; V478-W485 HydrophobicContact CG1-CZ3 4.08Å; V478-W485 HydrophobicContact CG2-CH2 4.03Å; A481-W485 HydrophobicContact CB-CE3 4.19Å; P482-W485 HydrophobicContact CB-CB 4.37Å; P482-W485 HydrophobicContact CB-CD2 4.16Å; P482-W485 HydrophobicContact CB-CG 3.84Å; P482-W485 HydrophobicContact CG-CD2 3.78Å; P482-W485 HydrophobicContact CG-CE3 4.33Å; P482-W485 HydrophobicContact CG-CG 4.01Å; P482-W485 HydrophobicContact CG-CZ2 4.06Å; P482-W485 WeakPolarHBondContact O-CB 3.41Å; P482-W485 PolarHBondContact O-N 2.91Å; L483-W485 VanDerWaalsContact C-N 3.25Å; L483-W485 PolarHBondContact O-N 3.25Å; W485-S488 PolarHBondContact O-N 3.29Å; W485-A489 WeakPolarHBondContact O-CB 3.4Å; W485-A489 PolarHBondContact O-N 3.15Å
486	K	77.6	Confident	76.4	Confident	88 Å²	88	53.8 Å²	53.8	38%	0.383	30%	0.3	S	S	.	.	H	α-helix	trans	-59.6	-50.9	174.9	-61.3	-171.6	177.9	-179.1	0	110.8	Y172 R176 P482 L483 S488 A489 D490	Y172-K486 HydrophobicContact CE1-CG 4.43Å; Y172-K486 WeakPolarHBondContact OH-CG 3.25Å; R176-K486 PolarHBondContact NH1-O 3.19Å; P482-K486 PolarHBondContact O-N 3.38Å; L483-K486 WeakPolarHBondContact O-CA 2.99Å; L483-K486 WeakPolarHBondContact O-CB 3.28Å; L483-K486 PolarHBondContact O-N 3.12Å; K486-S488 PolarHBondContact O-N 3.34Å; K486-A489 PolarHBondContact O-N 3.17Å; K486-D490 WeakPolarHBondContact O-CB 3.3Å; K486-D490 PolarHBondContact O-N 2.86Å
487	E	78.1	Confident	75.2	Confident	115 Å²	115	58.3 Å²	58.3	54%	0.537	31%	0.314	S	S	.	.	H	α-helix	trans	-60.1	-46	178.6	-69.8	168.3	175.4	0	0	111.9	L483 A489 D490 Q491	L483-E487 WeakPolarHBondContact O-CG 3.46Å; L483-E487 PolarHBondContact O-N 2.66Å; E487-A489 PolarHBondContact O-N 3.02Å; E487-D490 PolarHBondContact O-N 3.38Å; E487-Q491 WeakPolarHBondContact O-CB 3.46Å; E487-Q491 PolarHBondContact O-N 3.11Å
488	S	76.6	Confident	74.2	Confident	5 Å²	5	62.5 Å²	62.5	4%	0.035	33%	0.333	C	S	.	.	H	α-helix	trans	-60.5	-47.3	176.8	-52.8	0	0	0	0	111.7	H438 T484 W485 K486 D490 Q491 V492	H438-S488 PolarHBondContact CE1-OG 2.64Å; H438-S488 PolarHBondContact ND1-OG 3.26Å; T484-S488 WeakPolarHBondContact O-CB 3.48Å; T484-S488 PolarHBondContact O-N 3.34Å; T484-S488 PolarHBondContact O-OG 3.28Å; W485-S488 PolarHBondContact O-N 3.29Å; K486-S488 PolarHBondContact O-N 3.34Å; S488-D490 VanDerWaalsContact C-N 3.27Å; S488-D490 PolarHBondContact O-N 3.47Å; S488-Q491 PolarHBondContact O-N 2.67Å; S488-V492 VanDerWaalsContact O-CG2 3.3Å; S488-V492 WeakPolarHBondContact O-CG2 3.47Å; S488-V492 PolarHBondContact O-N 3.13Å
489	A	75.5	Confident	73.4	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-67.1	-30.8	179.8	0	0	0	0	0	111.6	Y172 V173 R176 W485 K486 E487 A493	Y172-A489 HydrophobicContact CD1-CB 4.18Å; Y172-A489 HydrophobicContact CE1-CB 3.87Å; V173-A489 HydrophobicContact CB-CB 4.45Å; V173-A489 HydrophobicContact CG2-CB 4.13Å; R176-A489 HydrophobicContact CB-CB 4.07Å; R176-A489 HydrophobicContact CG-CB 4.31Å; W485-A489 WeakPolarHBondContact O-CB 3.4Å; W485-A489 PolarHBondContact O-N 3.15Å; K486-A489 PolarHBondContact O-N 3.17Å; E487-A489 PolarHBondContact O-N 3.02Å; A489-A493 WeakPolarHBondContact O-CB 3.45Å; A489-A493 PolarHBondContact O-N 3.02Å
490	D	72.9	Confident	72.8	Confident	60 Å²	60	63.6 Å²	63.6	32%	0.321	34%	0.335	S	S	.	.	H	α-helix	trans	-71.8	-39.4	172.3	-82.4	-38.8	0	0	0	113	R176 K180 K486 E487 S488 A493 A494	R176-D490 IonicContact CZ-OD1 2.7Å; R176-D490 IonicContact CZ-OD2 3.37Å; R176-D490 IonicContact NE-OD1 3.12Å; R176-D490 PolarHBondContact NE-OD1 2.89Å; R176-D490 IonicContact NH1-OD1 2.65Å; R176-D490 PolarHBondContact NH1-OD1 2.9Å; R176-D490 IonicContact NH1-OD2 3.69Å; R176-D490 PolarHBondContact NH1-OD2 2.96Å; R176-D490 IonicContact NH2-OD1 2.71Å; R176-D490 PolarHBondContact NH2-OD1 3.39Å; R176-D490 IonicContact NH2-OD2 2.91Å; R176-D490 PolarHBondContact NH2-OD2 3.01Å; K180-D490 IonicContact NZ-OD1 2.74Å; K180-D490 PolarHBondContact NZ-OD1 2.97Å; K486-D490 WeakPolarHBondContact O-CB 3.3Å; K486-D490 PolarHBondContact O-N 2.86Å; E487-D490 PolarHBondContact O-N 3.38Å; S488-D490 VanDerWaalsContact C-N 3.27Å; S488-D490 PolarHBondContact O-N 3.47Å; D490-A493 PolarHBondContact O-N 3.15Å; D490-A494 VanDerWaalsContact O-CB 3.3Å; D490-A494 WeakPolarHBondContact O-CB 3.02Å; D490-A494 PolarHBondContact O-N 3.04Å
491	Q	75.5	Confident	72.7	Confident	138 Å²	138	61 Å²	61	65%	0.645	32%	0.321	S	S	*	.	H	α-helix	trans	-64.1	-49.9	175.9	-173	175.2	22.8	0	0	111.3	E487 S488 A493 A494 T495	E487-Q491 WeakPolarHBondContact O-CB 3.46Å; E487-Q491 PolarHBondContact O-N 3.11Å; S488-Q491 PolarHBondContact O-N 2.67Å; Q491-A493 VanDerWaalsContact C-N 3.3Å; Q491-A493 PolarHBondContact O-N 3.24Å; Q491-A494 PolarHBondContact O-N 3.28Å; Q491-T495 PolarHBondContact O-N 3.11Å; Q491-T495 VanDerWaalsContact O-N 3.14Å
492	V	72.3	Confident	72.4	Confident	50 Å²	50	66.1 Å²	66.1	30%	0.303	34%	0.336	S	S	.	.	H	α-helix	trans	-58.9	-46.9	175.8	175.5	0	0	0	0	109.7	V173 E177 S488 A494 T495 T496	V173-V492 HydrophobicContact CG1-CB 4.36Å; V173-V492 HydrophobicContact CG1-CG1 4.33Å; V173-V492 HydrophobicContact CG1-CG2 4.31Å; E177-V492 HydrophobicContact CG-CG1 4.21Å; E177-V492 WeakPolarHBondContact OE1-CG1 3.32Å; S488-V492 VanDerWaalsContact O-CG2 3.3Å; S488-V492 WeakPolarHBondContact O-CG2 3.47Å; S488-V492 PolarHBondContact O-N 3.13Å; V492-A494 VanDerWaalsContact C-N 3.32Å; V492-A494 PolarHBondContact O-N 3.38Å; V492-T495 PolarHBondContact O-N 2.84Å; V492-T495 PolarHBondContact O-OG1 2.98Å; V492-T496 PolarHBondContact O-N 3.29Å; V492-T496 PolarHBondContact O-OG1 3.42Å
493	A	67.1	Low	72.1	Confident	1 Å²	1	70 Å²	70	1%	0.008	36%	0.36	C	S	.	.	H	α-helix	trans	-66.5	-28.2	178.3	0	0	0	0	0	115.2	K180 A489 D490 Q491 T496 K497	K180-A493 HydrophobicContact CD-CB 3.37Å; A489-A493 WeakPolarHBondContact O-CB 3.45Å; A489-A493 PolarHBondContact O-N 3.02Å; D490-A493 PolarHBondContact O-N 3.15Å; Q491-A493 VanDerWaalsContact C-N 3.3Å; Q491-A493 PolarHBondContact O-N 3.24Å; A493-T496 VanDerWaalsContact CA-OG1 3.23Å; A493-T496 WeakPolarHBondContact CA-OG1 3.18Å; A493-T496 PolarHBondContact O-OG1 3.09Å; A493-T496 VanDerWaalsContact O-OG1 3.11Å; A493-K497 WeakPolarHBondContact O-CB 3.45Å; A493-K497 PolarHBondContact O-N 3.37Å
494	A	67.2	Low	72.1	Confident	48 Å²	48	69.3 Å²	69.3	40%	0.397	35%	0.353	S	S	.	.	H	α-helix	trans	-67.9	-43.9	174.4	0	0	0	0	0	110	D490 Q491 V492 T496 K497 E498	D490-A494 VanDerWaalsContact O-CB 3.3Å; D490-A494 WeakPolarHBondContact O-CB 3.02Å; D490-A494 PolarHBondContact O-N 3.04Å; Q491-A494 PolarHBondContact O-N 3.28Å; V492-A494 VanDerWaalsContact C-N 3.32Å; V492-A494 PolarHBondContact O-N 3.38Å; A494-T496 PolarHBondContact O-N 2.88Å; A494-K497 PolarHBondContact O-N 2.98Å; A494-E498 PolarHBondContact O-N 3.26Å
495	T	67.3	Low	72	Confident	83 Å²	83	74.7 Å²	74.7	51%	0.509	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-40.4	175.5	64.5	0	0	0	0	112.1	Q491 V492 E498 E499	Q491-T495 PolarHBondContact O-N 3.11Å; Q491-T495 VanDerWaalsContact O-N 3.14Å; V492-T495 PolarHBondContact O-N 2.84Å; V492-T495 PolarHBondContact O-OG1 2.98Å; T495-E498 PolarHBondContact O-N 3.28Å; T495-E499 PolarHBondContact O-N 3.35Å
496	T	66	Low	71.8	Confident	43 Å²	43	77.2 Å²	77.2	26%	0.264	39%	0.391	S	S	.	.	H	α-helix	trans	-71.8	-33.5	175.7	56.8	0	0	0	0	112.3	V492 A493 A494 E498 E499 L500	V492-T496 PolarHBondContact O-N 3.29Å; V492-T496 PolarHBondContact O-OG1 3.42Å; A493-T496 VanDerWaalsContact CA-OG1 3.23Å; A493-T496 WeakPolarHBondContact CA-OG1 3.18Å; A493-T496 PolarHBondContact O-OG1 3.09Å; A493-T496 VanDerWaalsContact O-OG1 3.11Å; A494-T496 PolarHBondContact O-N 2.88Å; T496-E498 PolarHBondContact O-N 2.95Å; T496-E499 PolarHBondContact O-N 3.33Å; T496-L500 WeakPolarHBondContact O-CB 3.45Å; T496-L500 VanDerWaalsContact O-CG 3.26Å; T496-L500 WeakPolarHBondContact O-CG 3.41Å; T496-L500 PolarHBondContact O-N 3.5Å
497	K	64.8	Low	71.6	Confident	149 Å²	149	76.7 Å²	76.7	65%	0.648	39%	0.392	S	S	*	.	H	α-helix	trans	-61.4	-42.3	173.3	-176.9	179.2	179.9	179.8	0	111.8	A493 A494 E499 L500 A501	A493-K497 WeakPolarHBondContact O-CB 3.45Å; A493-K497 PolarHBondContact O-N 3.37Å; A494-K497 PolarHBondContact O-N 2.98Å; K497-E499 VanDerWaalsContact C-N 3.33Å; K497-L500 PolarHBondContact O-N 3.25Å; K497-A501 VanDerWaalsContact O-CB 3.23Å; K497-A501 WeakPolarHBondContact O-CB 3.48Å; K497-A501 PolarHBondContact O-N 3.31Å
498	E	67.6	Low	71.4	Confident	125 Å²	125	74.8 Å²	74.8	58%	0.584	39%	0.391	S	S	*	.	H	α-helix	trans	-65	-37.3	176.1	-72.4	175.8	-175.6	0	0	112.5	A494 T495 T496 R502	A494-E498 PolarHBondContact O-N 3.26Å; T495-E498 PolarHBondContact O-N 3.28Å; T496-E498 PolarHBondContact O-N 2.95Å; E498-R502 PolarHBondContact O-N 3.4Å; E498-R502 VanDerWaalsContact O-N 3.14Å
499	E	67.8	Low	71.4	Confident	93 Å²	93	79.9 Å²	79.9	44%	0.435	42%	0.419	S	S	.	.	H	α-helix	trans	-69.2	-46.8	175.2	-164.8	63.1	-141.9	0	0	111.3	T495 T496 K497 A501 R502 V503	T495-E499 PolarHBondContact O-N 3.35Å; T496-E499 PolarHBondContact O-N 3.33Å; K497-E499 VanDerWaalsContact C-N 3.33Å; E499-A501 PolarHBondContact O-N 3.3Å; E499-R502 WeakPolarHBondContact O-CB 3.34Å; E499-R502 PolarHBondContact O-N 3.49Å; E499-R502 VanDerWaalsContact O-N 3.1Å; E499-R502 IonicContact OE1-NH1 3.35Å; E499-R502 PolarHBondContact OE1-NH1 3Å; E499-R502 IonicContact OE2-CZ 3.44Å; E499-R502 IonicContact OE2-NH1 3.96Å; E499-R502 PolarHBondContact OE2-NH1 2.95Å; E499-R502 IonicContact OE2-NH2 2.74Å; E499-R502 PolarHBondContact OE2-NH2 3.27Å; E499-V503 WeakPolarHBondContact O-CG2 3.47Å; E499-V503 PolarHBondContact O-N 3.11Å
500	L	63.9	Low	71.6	Confident	62 Å²	62	85.1 Å²	85.1	33%	0.325	44%	0.444	S	S	.	.	H	α-helix	trans	-59.3	-45.5	175.6	-74.8	168.3	0	0	0	111.4	E181 T496 K497 R502 V503 E504	E181-L500 HydrophobicContact CG-CD1 4.4Å; T496-L500 WeakPolarHBondContact O-CB 3.45Å; T496-L500 VanDerWaalsContact O-CG 3.26Å; T496-L500 WeakPolarHBondContact O-CG 3.41Å; T496-L500 PolarHBondContact O-N 3.5Å; K497-L500 PolarHBondContact O-N 3.25Å; L500-R502 PolarHBondContact O-N 3.04Å; L500-V503 PolarHBondContact O-N 3.27Å; L500-V503 VanDerWaalsContact O-N 3.15Å; L500-E504 WeakPolarHBondContact O-CB 3.49Å; L500-E504 PolarHBondContact O-N 3.5Å
501	A	73.6	Confident	71.9	Confident	32 Å²	32	88.4 Å²	88.4	26%	0.264	46%	0.456	S	S	.	.	H	α-helix	trans	-66.2	-25	177.2	0	0	0	0	0	113	K497 E499 R505	K497-A501 VanDerWaalsContact O-CB 3.23Å; K497-A501 WeakPolarHBondContact O-CB 3.48Å; K497-A501 PolarHBondContact O-N 3.31Å; E499-A501 PolarHBondContact O-N 3.3Å; A501-R505 WeakPolarHBondContact O-CB 3.29Å; A501-R505 WeakPolarHBondContact O-CG 3.41Å; A501-R505 PolarHBondContact O-N 3.3Å; A501-R505 PolarHBondContact O-NE 3.04Å
502	R	73.1	Confident	72.1	Confident	124 Å²	124	83.9 Å²	83.9	47%	0.468	44%	0.442	S	S	.	.	H	α-helix	trans	-74	-44.5	170.2	-86.4	-172.6	-86.3	135.4	-2.6	111.2	E498 E499 L500 A506	E498-R502 PolarHBondContact O-N 3.4Å; E498-R502 VanDerWaalsContact O-N 3.14Å; E499-R502 WeakPolarHBondContact O-CB 3.34Å; E499-R502 PolarHBondContact O-N 3.49Å; E499-R502 VanDerWaalsContact O-N 3.1Å; E499-R502 IonicContact OE1-NH1 3.35Å; E499-R502 PolarHBondContact OE1-NH1 3Å; E499-R502 IonicContact OE2-CZ 3.44Å; E499-R502 IonicContact OE2-NH1 3.96Å; E499-R502 PolarHBondContact OE2-NH1 2.95Å; E499-R502 IonicContact OE2-NH2 2.74Å; E499-R502 PolarHBondContact OE2-NH2 3.27Å; L500-R502 PolarHBondContact O-N 3.04Å; R502-A506 WeakPolarHBondContact O-CB 3.46Å; R502-A506 PolarHBondContact O-N 3.34Å
503	V	72.4	Confident	72.6	Confident	86 Å²	86	87.4 Å²	87.4	52%	0.521	45%	0.453	S	S	.	.	H	α-helix	trans	-63.5	-43.1	176.8	173.2	0	0	0	0	111.4	E499 L500 A506 N507	E499-V503 WeakPolarHBondContact O-CG2 3.47Å; E499-V503 PolarHBondContact O-N 3.11Å; L500-V503 PolarHBondContact O-N 3.27Å; L500-V503 VanDerWaalsContact O-N 3.15Å; V503-A506 PolarHBondContact O-N 3.34Å; V503-N507 WeakPolarHBondContact O-CB 3.41Å; V503-N507 PolarHBondContact O-N 3.15Å
504	E	74.9	Confident	72.9	Confident	107 Å²	107	91.5 Å²	91.5	50%	0.5	47%	0.472	S	S	.	.	H	α-helix	trans	-64.1	-45.2	178.7	-173.5	-179.5	-178.6	0	0	111.8	L500 A506 N507 S508	L500-E504 WeakPolarHBondContact O-CB 3.49Å; L500-E504 PolarHBondContact O-N 3.5Å; E504-A506 VanDerWaalsContact C-N 3.34Å; E504-A506 PolarHBondContact O-N 2.87Å; E504-N507 PolarHBondContact O-N 2.93Å; E504-N507 VanDerWaalsContact O-N 3.16Å; E504-S508 WeakPolarHBondContact O-CB 3.31Å; E504-S508 PolarHBondContact O-N 2.74Å
505	R	76.6	Confident	73.1	Confident	155 Å²	155	92.5 Å²	92.5	59%	0.585	48%	0.476	S	S	*	.	H	α-helix	trans	-57.5	-47	172	-85.9	-179.4	-75.5	155.5	-9.4	111.5	A501 N507 S508 D509	A501-R505 WeakPolarHBondContact O-CB 3.29Å; A501-R505 WeakPolarHBondContact O-CG 3.41Å; A501-R505 PolarHBondContact O-N 3.3Å; A501-R505 PolarHBondContact O-NE 3.04Å; R505-N507 VanDerWaalsContact C-N 3.29Å; R505-N507 PolarHBondContact O-N 2.7Å; R505-S508 PolarHBondContact O-N 3.48Å; R505-D509 WeakPolarHBondContact O-CB 3.31Å; R505-D509 PolarHBondContact O-N 2.94Å
506	A	77.2	Confident	74	Confident	58 Å²	58	95.4 Å²	95.4	48%	0.479	48%	0.482	S	S	.	.	H	α-helix	trans	-61.2	-36.9	176.9	0	0	0	0	0	112.6	R502 V503 E504 M510	R502-A506 WeakPolarHBondContact O-CB 3.46Å; R502-A506 PolarHBondContact O-N 3.34Å; V503-A506 PolarHBondContact O-N 3.34Å; E504-A506 VanDerWaalsContact C-N 3.34Å; E504-A506 PolarHBondContact O-N 2.87Å; A506-M510 WeakPolarHBondContact O-CB 3.27Å; A506-M510 PolarHBondContact O-N 2.83Å
507	N	73.2	Confident	74.5	Confident	77 Å²	77	98.7 Å²	98.7	41%	0.412	49%	0.493	S	S	.	.	H	α-helix	trans	-71.6	-40	177.2	-162.9	30.5	0	0	0	112	V503 E504 R505 M510 K511	V503-N507 WeakPolarHBondContact O-CB 3.41Å; V503-N507 PolarHBondContact O-N 3.15Å; E504-N507 PolarHBondContact O-N 2.93Å; E504-N507 VanDerWaalsContact O-N 3.16Å; R505-N507 VanDerWaalsContact C-N 3.29Å; R505-N507 PolarHBondContact O-N 2.7Å; N507-M510 WeakPolarHBondContact O-CB 3.42Å; N507-M510 PolarHBondContact O-N 3.11Å; N507-K511 WeakPolarHBondContact O-CG 3.32Å; N507-K511 PolarHBondContact O-N 3.43Å
508	S	73.5	Confident	74.8	Confident	74 Å²	74	101.6 Å²	101.6	52%	0.517	50%	0.5	S	S	.	.	H	α-helix	trans	-62.3	-46	173.3	-171.7	0	0	0	0	111.2	E504 R505 M510 K511 A512	E504-S508 WeakPolarHBondContact O-CB 3.31Å; E504-S508 PolarHBondContact O-N 2.74Å; R505-S508 PolarHBondContact O-N 3.48Å; S508-M510 VanDerWaalsContact C-N 3.29Å; S508-M510 PolarHBondContact O-N 3.22Å; S508-K511 PolarHBondContact O-N 3.32Å; S508-A512 WeakPolarHBondContact O-CB 3.19Å; S508-A512 PolarHBondContact O-N 3.42Å
509	D	77	Confident	75.2	Confident	113 Å²	113	100.6 Å²	100.6	60%	0.604	50%	0.497	S	S	*	.	H	α-helix	trans	-59.3	-40.4	174.9	-69.6	-18.7	0	0	0	111.3	R505 A512 F513	R505-D509 WeakPolarHBondContact O-CB 3.31Å; R505-D509 PolarHBondContact O-N 2.94Å; D509-A512 PolarHBondContact O-N 3.09Å; D509-F513 WeakPolarHBondContact O-CB 3.42Å; D509-F513 PolarHBondContact O-N 3.41Å
510	M	80.4	Confident	75.9	Confident	110 Å²	110	104.6 Å²	104.6	54%	0.542	51%	0.508	S	S	.	.	H	α-helix	trans	-65.4	-43.4	175.3	-171.8	65.2	70.8	0	0	112.5	A506 N507 S508 F513 E514	A506-M510 WeakPolarHBondContact O-CB 3.27Å; A506-M510 PolarHBondContact O-N 2.83Å; N507-M510 WeakPolarHBondContact O-CB 3.42Å; N507-M510 PolarHBondContact O-N 3.11Å; S508-M510 VanDerWaalsContact C-N 3.29Å; S508-M510 PolarHBondContact O-N 3.22Å; M510-F513 WeakPolarHBondContact O-CB 3.43Å; M510-F513 PolarHBondContact O-N 3.01Å; M510-E514 PolarHBondContact O-N 3.18Å
511	K	78.3	Confident	76.1	Confident	129 Å²	129	108.3 Å²	108.3	56%	0.561	52%	0.522	S	S	*	.	H	α-helix	trans	-64.1	-41.5	175.9	-74.3	177.4	-178.1	179.3	0	111.8	N507 S508 F513 E514 S515	N507-K511 WeakPolarHBondContact O-CG 3.32Å; N507-K511 PolarHBondContact O-N 3.43Å; S508-K511 PolarHBondContact O-N 3.32Å; K511-F513 VanDerWaalsContact C-N 3.35Å; K511-E514 PolarHBondContact O-N 2.7Å; K511-S515 WeakPolarHBondContact O-CB 3.44Å; K511-S515 PolarHBondContact O-N 3.08Å; K511-S515 PolarHBondContact O-OG 2.9Å
512	A	80.3	Confident	76	Confident	42 Å²	42	108.6 Å²	108.6	35%	0.347	53%	0.528	S	S	.	.	H	α-helix	trans	-61.6	-44.8	174.2	0	0	0	0	0	110.7	S508 D509 E514 S515 F516	S508-A512 WeakPolarHBondContact O-CB 3.19Å; S508-A512 PolarHBondContact O-N 3.42Å; D509-A512 PolarHBondContact O-N 3.09Å; A512-E514 PolarHBondContact O-N 3.48Å; A512-S515 WeakPolarHBondContact O-CB 3.17Å; A512-S515 PolarHBondContact O-N 3.14Å; A512-F516 WeakPolarHBondContact O-CD2 3.23Å; A512-F516 PolarHBondContact O-N 3.12Å
513	F	82.9	Confident	76.6	Confident	125 Å²	125	108.1 Å²	108.1	55%	0.548	53%	0.534	S	S	.	.	H	α-helix	trans	-58.8	-46.6	175.5	179.5	-98.6	0	0	0	113	D509 M510 K511 S515 F516 K517	D509-F513 WeakPolarHBondContact O-CB 3.42Å; D509-F513 PolarHBondContact O-N 3.41Å; M510-F513 WeakPolarHBondContact O-CB 3.43Å; M510-F513 PolarHBondContact O-N 3.01Å; K511-F513 VanDerWaalsContact C-N 3.35Å; F513-S515 VanDerWaalsContact C-N 3.31Å; F513-S515 PolarHBondContact O-N 2.99Å; F513-F516 PolarHBondContact O-N 2.85Å; F513-K517 WeakPolarHBondContact O-CB 3.24Å; F513-K517 PolarHBondContact O-N 3.19Å
514	E	73.7	Confident	76.9	Confident	87 Å²	87	107.7 Å²	107.7	41%	0.407	53%	0.529	S	S	.	.	H	α-helix	trans	-65.1	-34.5	176.1	-77.2	-64.7	153.5	0	0	112.3	M510 K511 A512 K517 R518	M510-E514 PolarHBondContact O-N 3.18Å; K511-E514 PolarHBondContact O-N 2.7Å; A512-E514 PolarHBondContact O-N 3.48Å; E514-K517 WeakPolarHBondContact O-CB 3.39Å; E514-K517 PolarHBondContact O-N 3.06Å; E514-K517 IonicContact OE1-NZ 2.84Å; E514-K517 PolarHBondContact OE1-NZ 3.33Å; E514-K517 WeakPolarHBondContact OE2-CD 3.15Å; E514-K517 IonicContact OE2-NZ 2.72Å; E514-K517 PolarHBondContact OE2-NZ 2.79Å; E514-R518 PolarHBondContact O-N 3.12Å
515	S	70.1	Confident	76.8	Confident	69 Å²	69	110.1 Å²	110.1	48%	0.483	53%	0.533	S	S	.	.	H	α-helix	trans	-64	-45.8	173.8	-59.7	0	0	0	0	111.7	K511 A512 F513 K517 R518 I519	K511-S515 WeakPolarHBondContact O-CB 3.44Å; K511-S515 PolarHBondContact O-N 3.08Å; K511-S515 PolarHBondContact O-OG 2.9Å; A512-S515 WeakPolarHBondContact O-CB 3.17Å; A512-S515 PolarHBondContact O-N 3.14Å; F513-S515 VanDerWaalsContact C-N 3.31Å; F513-S515 PolarHBondContact O-N 2.99Å; S515-K517 VanDerWaalsContact C-N 3.31Å; S515-K517 PolarHBondContact O-N 3.23Å; S515-R518 PolarHBondContact O-N 3.37Å; S515-I519 WeakPolarHBondContact O-CG1 3.35Å; S515-I519 PolarHBondContact O-N 3.04Å
516	F	86.1	Confident	77	Confident	144 Å²	144	105.4 Å²	105.4	63%	0.632	53%	0.528	S	S	*	.	H	α-helix	trans	-61.3	-39.3	174.2	-75	-57.7	0	0	0	112.3	A512 F513 I519 R520	A512-F516 WeakPolarHBondContact O-CD2 3.23Å; A512-F516 PolarHBondContact O-N 3.12Å; F513-F516 PolarHBondContact O-N 2.85Å; F516-I519 PolarHBondContact O-N 2.7Å; F516-R520 WeakPolarHBondContact O-CB 3.05Å; F516-R520 PolarHBondContact O-N 3.05Å
517	K	77.2	Confident	77.4	Confident	112 Å²	112	110.9 Å²	110.9	49%	0.487	54%	0.536	S	S	.	.	H	α-helix	trans	-63.5	-40.4	176.2	-173.6	178.8	166.4	-158.9	0	112	F513 E514 S515 R520 F521	F513-K517 WeakPolarHBondContact O-CB 3.24Å; F513-K517 PolarHBondContact O-N 3.19Å; E514-K517 WeakPolarHBondContact O-CB 3.39Å; E514-K517 PolarHBondContact O-N 3.06Å; E514-K517 IonicContact OE1-NZ 2.84Å; E514-K517 PolarHBondContact OE1-NZ 3.33Å; E514-K517 WeakPolarHBondContact OE2-CD 3.15Å; E514-K517 IonicContact OE2-NZ 2.72Å; E514-K517 PolarHBondContact OE2-NZ 2.79Å; S515-K517 VanDerWaalsContact C-N 3.31Å; S515-K517 PolarHBondContact O-N 3.23Å; K517-R520 PolarHBondContact O-N 3.35Å; K517-F521 WeakPolarHBondContact O-CB 3.22Å; K517-F521 PolarHBondContact O-N 3.04Å
518	R	71.7	Confident	77.8	Confident	210 Å²	210	112.3 Å²	112.3	79%	0.792	54%	0.543	S	S	*	.	H	α-helix	trans	-64.7	-44.9	175.1	-170.4	179.5	-178.8	-169.9	0.5	112.1	E514 S515 F521 G522	E514-R518 PolarHBondContact O-N 3.12Å; S515-R518 PolarHBondContact O-N 3.37Å; R518-F521 PolarHBondContact O-N 3.39Å; R518-G522 PolarHBondContact O-N 2.73Å
519	I	75.3	Confident	77.9	Confident	103 Å²	103	113 Å²	113	53%	0.528	54%	0.539	S	S	.	.	H	α-helix	trans	-61.5	-47.8	176.3	-66.9	168.7	0	0	0	110	S515 F516 F521 G522 L523	S515-I519 WeakPolarHBondContact O-CG1 3.35Å; S515-I519 PolarHBondContact O-N 3.04Å; F516-I519 PolarHBondContact O-N 2.7Å; I519-F521 PolarHBondContact O-N 3.1Å; I519-G522 WeakPolarHBondContact O-CA 3.36Å; I519-G522 PolarHBondContact O-N 2.94Å; I519-G522 VanDerWaalsContact O-N 3.09Å; I519-L523 HydrophobicContact CG2-CD1 4Å; I519-L523 HydrophobicContact CG2-CG 4.28Å; I519-L523 WeakPolarHBondContact O-CG 3.4Å; I519-L523 PolarHBondContact O-N 2.83Å
520	R	83.3	Confident	78.3	Confident	178 Å²	178	110 Å²	110	67%	0.672	53%	0.53	S	S	*	.	H	α-helix	trans	-55.8	-48.4	177.4	179.6	178.8	175.8	170.8	0.9	111.9	F516 K517 G522 L523 D524	F516-R520 WeakPolarHBondContact O-CB 3.05Å; F516-R520 PolarHBondContact O-N 3.05Å; K517-R520 PolarHBondContact O-N 3.35Å; R520-G522 VanDerWaalsContact C-N 3.3Å; R520-G522 PolarHBondContact O-N 3.29Å; R520-L523 PolarHBondContact O-N 2.78Å; R520-L523 VanDerWaalsContact O-N 3.17Å; R520-D524 PolarHBondContact O-N 3.49Å
521	F	67.6	Low	78.5	Confident	140 Å²	140	108.7 Å²	108.7	61%	0.614	53%	0.525	S	S	*	.	H	α-helix	trans	-60.1	-40.3	176.6	-177.7	-95.3	0	0	0	112.3	K517 R518 I519 D524 R525	K517-F521 WeakPolarHBondContact O-CB 3.22Å; K517-F521 PolarHBondContact O-N 3.04Å; R518-F521 PolarHBondContact O-N 3.39Å; I519-F521 PolarHBondContact O-N 3.1Å; F521-D524 PolarHBondContact O-N 3.26Å; F521-R525 WeakPolarHBondContact O-CB 3.46Å; F521-R525 PolarHBondContact O-N 3.14Å
522	G	71.2	Confident	78.4	Confident	37 Å²	37	107.6 Å²	107.6	38%	0.381	52%	0.523	S	S	.	.	H	α-helix	trans	-61.1	-44.3	173.8	0	0	0	0	0	112.8	R518 I519 R520 R525 A526	R518-G522 PolarHBondContact O-N 2.73Å; I519-G522 WeakPolarHBondContact O-CA 3.36Å; I519-G522 PolarHBondContact O-N 2.94Å; I519-G522 VanDerWaalsContact O-N 3.09Å; R520-G522 VanDerWaalsContact C-N 3.3Å; R520-G522 PolarHBondContact O-N 3.29Å; G522-R525 PolarHBondContact O-N 3.4Å; G522-A526 WeakPolarHBondContact O-CB 3.39Å; G522-A526 PolarHBondContact O-N 2.95Å
523	L	86.4	Confident	78.6	Confident	114 Å²	114	109.6 Å²	109.6	60%	0.597	53%	0.531	S	S	*	.	H	α-helix	trans	-66.4	-41.9	177.7	-69	176.8	0	0	0	112.3	I519 R520 R525 A526 R527	I519-L523 HydrophobicContact CG2-CD1 4Å; I519-L523 HydrophobicContact CG2-CG 4.28Å; I519-L523 WeakPolarHBondContact O-CG 3.4Å; I519-L523 PolarHBondContact O-N 2.83Å; R520-L523 PolarHBondContact O-N 2.78Å; R520-L523 VanDerWaalsContact O-N 3.17Å; L523-R525 VanDerWaalsContact C-N 3.31Å; L523-R525 PolarHBondContact O-N 3.49Å; L523-A526 PolarHBondContact O-N 3.43Å; L523-R527 WeakPolarHBondContact O-CB 3.49Å; L523-R527 PolarHBondContact O-N 2.87Å
524	D	77.3	Confident	78.9	Confident	77 Å²	77	108 Å²	108	41%	0.412	53%	0.528	S	S	.	.	H	α-helix	trans	-62	-41.1	175.6	-74.4	-30.8	0	0	0	111	R520 F521 R527 L528	R520-D524 PolarHBondContact O-N 3.49Å; F521-D524 PolarHBondContact O-N 3.26Å; D524-R527 PolarHBondContact O-N 3.34Å; D524-L528 WeakPolarHBondContact O-CG 3.36Å; D524-L528 PolarHBondContact O-N 2.95Å
525	R	73.8	Confident	79.6	Confident	158 Å²	158	108.9 Å²	108.9	60%	0.596	53%	0.532	S	S	*	.	H	α-helix	trans	-65.1	-44	175	-172.2	177.9	177.8	135.5	-1.2	112.2	F521 G522 L523 R527 L528 M529	F521-R525 WeakPolarHBondContact O-CB 3.46Å; F521-R525 PolarHBondContact O-N 3.14Å; G522-R525 PolarHBondContact O-N 3.4Å; L523-R525 VanDerWaalsContact C-N 3.31Å; L523-R525 PolarHBondContact O-N 3.49Å; R525-R527 VanDerWaalsContact C-N 3.32Å; R525-R527 PolarHBondContact O-N 3.4Å; R525-L528 PolarHBondContact O-N 2.79Å; R525-M529 WeakPolarHBondContact O-CG 3.42Å; R525-M529 PolarHBondContact O-N 3.23Å
526	A	80.1	Confident	80.3	Confident	57 Å²	57	113.1 Å²	113.1	47%	0.471	54%	0.537	S	S	.	.	H	α-helix	trans	-61.8	-42.1	177.5	0	0	0	0	0	111.5	G522 L523 M529 A530	G522-A526 WeakPolarHBondContact O-CB 3.39Å; G522-A526 PolarHBondContact O-N 2.95Å; L523-A526 PolarHBondContact O-N 3.43Å; A526-M529 PolarHBondContact O-N 3.32Å; A526-A530 PolarHBondContact O-N 2.83Å
527	R	86.9	Confident	80.4	Confident	172 Å²	172	109.6 Å²	109.6	65%	0.649	52%	0.523	S	S	*	.	H	α-helix	trans	-58.8	-47.8	173.7	179.9	-179.6	173.4	168.5	-0.1	111.9	L523 D524 R525 M529 A530 D531	L523-R527 WeakPolarHBondContact O-CB 3.49Å; L523-R527 PolarHBondContact O-N 2.87Å; D524-R527 PolarHBondContact O-N 3.34Å; R525-R527 VanDerWaalsContact C-N 3.32Å; R525-R527 PolarHBondContact O-N 3.4Å; R527-M529 VanDerWaalsContact C-N 3.31Å; R527-M529 PolarHBondContact O-N 3.17Å; R527-A530 WeakPolarHBondContact O-CB 3.49Å; R527-A530 PolarHBondContact O-N 3.3Å; R527-A530 VanDerWaalsContact O-N 3.17Å; R527-D531 PolarHBondContact O-N 3.45Å
528	L	81.6	Confident	80.8	Confident	108 Å²	108	113.1 Å²	113.1	57%	0.565	53%	0.533	S	S	*	.	H	α-helix	trans	-58.9	-42.2	176.7	-73.2	170	0	0	0	112	D524 R525 D531 M532	D524-L528 WeakPolarHBondContact O-CG 3.36Å; D524-L528 PolarHBondContact O-N 2.95Å; R525-L528 PolarHBondContact O-N 2.79Å; L528-D531 PolarHBondContact O-N 3.2Å; L528-M532 WeakPolarHBondContact O-CG 3.34Å; L528-M532 PolarHBondContact O-N 3.09Å
529	M	74.8	Confident	81.3	Confident	88 Å²	88	111 Å²	111	43%	0.433	53%	0.525	S	S	.	.	H	α-helix	trans	-63	-42.7	175.9	-65.4	-62.5	108.3	0	0	111.7	R525 A526 R527 M532 V533	R525-M529 WeakPolarHBondContact O-CG 3.42Å; R525-M529 PolarHBondContact O-N 3.23Å; A526-M529 PolarHBondContact O-N 3.32Å; R527-M529 VanDerWaalsContact C-N 3.31Å; R527-M529 PolarHBondContact O-N 3.17Å; M529-M532 HydrophobicContact CE-CE 3.42Å; M529-M532 VanDerWaalsContact CE-CE 3.42Å; M529-M532 HydrophobicContact CE-SD 4.26Å; M529-M532 PolarHBondContact O-N 3.33Å; M529-M532 HydrophobicContact SD-CE 3.54Å; M529-M532 VanDerWaalsContact SD-CE 3.54Å; M529-V533 VanDerWaalsContact O-CG2 3.32Å; M529-V533 WeakPolarHBondContact O-CG2 3.35Å; M529-V533 PolarHBondContact O-N 2.89Å
530	A	85.5	Confident	81.6	Confident	49 Å²	49	109.8 Å²	109.8	41%	0.405	52%	0.516	S	S	.	.	H	α-helix	trans	-60.8	-44.8	176.9	0	0	0	0	0	111.8	A526 R527 M532 V533 L534	A526-A530 PolarHBondContact O-N 2.83Å; R527-A530 WeakPolarHBondContact O-CB 3.49Å; R527-A530 PolarHBondContact O-N 3.3Å; R527-A530 VanDerWaalsContact O-N 3.17Å; A530-M532 PolarHBondContact O-N 2.94Å; A530-V533 PolarHBondContact O-N 3.35Å; A530-L534 WeakPolarHBondContact O-CB 3.29Å; A530-L534 VanDerWaalsContact O-CG 3.31Å; A530-L534 WeakPolarHBondContact O-CG 3.46Å; A530-L534 PolarHBondContact O-N 2.99Å
531	D	85.1	Confident	81.6	Confident	83 Å²	83	104.6 Å²	104.6	44%	0.444	50%	0.501	S	S	.	.	H	α-helix	trans	-62.3	-41.4	177.1	-76.7	-23.3	0	0	0	111.9	R527 L528 L534 Q535	R527-D531 PolarHBondContact O-N 3.45Å; L528-D531 PolarHBondContact O-N 3.2Å; D531-L534 PolarHBondContact O-N 2.63Å; D531-Q535 WeakPolarHBondContact O-CB 3.27Å; D531-Q535 PolarHBondContact O-N 3.06Å
532	M	74.4	Confident	82.2	Confident	107 Å²	107	100.7 Å²	100.7	53%	0.527	50%	0.495	S	S	.	.	H	α-helix	trans	-64	-41.5	175.2	-69.5	-166.3	-33.8	0	0	112.6	L528 M529 A530 Q535 R536	L528-M532 WeakPolarHBondContact O-CG 3.34Å; L528-M532 PolarHBondContact O-N 3.09Å; M529-M532 HydrophobicContact CE-CE 3.42Å; M529-M532 VanDerWaalsContact CE-CE 3.42Å; M529-M532 HydrophobicContact CE-SD 4.26Å; M529-M532 PolarHBondContact O-N 3.33Å; M529-M532 HydrophobicContact SD-CE 3.54Å; M529-M532 VanDerWaalsContact SD-CE 3.54Å; A530-M532 PolarHBondContact O-N 2.94Å; M532-Q535 PolarHBondContact O-N 3.33Å; M532-R536 PolarHBondContact O-N 2.97Å
533	V	85.1	Confident	82.5	Confident	84 Å²	84	103.5 Å²	103.5	51%	0.509	50%	0.5	S	S	.	.	H	α-helix	trans	-64.4	-47.1	177	170.6	0	0	0	0	110.1	M529 A530 Q535 R536 E537	M529-V533 VanDerWaalsContact O-CG2 3.32Å; M529-V533 WeakPolarHBondContact O-CG2 3.35Å; M529-V533 PolarHBondContact O-N 2.89Å; A530-V533 PolarHBondContact O-N 3.35Å; V533-Q535 VanDerWaalsContact C-N 3.27Å; V533-Q535 PolarHBondContact O-N 3Å; V533-R536 WeakPolarHBondContact O-CB 3.43Å; V533-R536 PolarHBondContact O-N 2.91Å; V533-R536 VanDerWaalsContact O-N 3.11Å; V533-E537 HydrophobicContact CG1-CG 4.36Å; V533-E537 WeakPolarHBondContact O-CG 3.46Å; V533-E537 PolarHBondContact O-N 2.76Å
534	L	90.4	Very high	82.1	Confident	91 Å²	91	101.3 Å²	101.3	48%	0.476	49%	0.486	S	S	.	.	H	α-helix	trans	-58.1	-40.4	176.1	-73	172.7	0	0	0	111.6	A530 D531 E537 R538	A530-L534 WeakPolarHBondContact O-CB 3.29Å; A530-L534 VanDerWaalsContact O-CG 3.31Å; A530-L534 WeakPolarHBondContact O-CG 3.46Å; A530-L534 PolarHBondContact O-N 2.99Å; D531-L534 PolarHBondContact O-N 2.63Å; L534-E537 PolarHBondContact O-N 3.03Å; L534-R538 WeakPolarHBondContact O-CB 3.38Å; L534-R538 VanDerWaalsContact O-CG 3.25Å; L534-R538 WeakPolarHBondContact O-CG 3.41Å; L534-R538 PolarHBondContact O-N 3.35Å
535	Q	86.7	Confident	82.3	Confident	105 Å²	105	104 Å²	104	49%	0.491	49%	0.494	S	S	.	.	H	α-helix	trans	-66.4	-40	176.5	-168.1	169.2	8	0	0	112.2	D531 M532 V533 R538 R539	D531-Q535 WeakPolarHBondContact O-CB 3.27Å; D531-Q535 PolarHBondContact O-N 3.06Å; M532-Q535 PolarHBondContact O-N 3.33Å; V533-Q535 VanDerWaalsContact C-N 3.27Å; V533-Q535 PolarHBondContact O-N 3Å; Q535-R538 PolarHBondContact O-N 3.38Å; Q535-R539 VanDerWaalsContact NE2-NH2 3.12Å; Q535-R539 WeakPolarHBondContact O-CG 3.31Å; Q535-R539 PolarHBondContact O-N 3.34Å
536	R	84.9	Confident	82.4	Confident	159 Å²	159	101.5 Å²	101.5	60%	0.6	49%	0.485	S	S	*	.	H	α-helix	trans	-62.4	-46.5	174.6	-177.7	-177.7	-178.9	-174.8	-1.6	111.6	M532 V533 R539 K540	M532-R536 PolarHBondContact O-N 2.97Å; V533-R536 WeakPolarHBondContact O-CB 3.43Å; V533-R536 PolarHBondContact O-N 2.91Å; V533-R536 VanDerWaalsContact O-N 3.11Å; R536-R539 PolarHBondContact O-N 3.47Å; R536-K540 PolarHBondContact O-N 3.14Å
537	E	88.1	Confident	82.2	Confident	69 Å²	69	103 Å²	103	32%	0.322	48%	0.483	S	S	.	.	H	α-helix	trans	-66.7	-37.4	179.9	-65.9	-49	124.1	0	0	111.7	V533 L534 R539 K540 L541	V533-E537 HydrophobicContact CG1-CG 4.36Å; V533-E537 WeakPolarHBondContact O-CG 3.46Å; V533-E537 PolarHBondContact O-N 2.76Å; L534-E537 PolarHBondContact O-N 3.03Å; E537-R539 VanDerWaalsContact C-N 3.35Å; E537-R539 PolarHBondContact O-N 2.76Å; E537-K540 PolarHBondContact O-N 2.81Å; E537-K540 IonicContact OE1-NZ 3.19Å; E537-K540 PolarHBondContact OE1-NZ 2.7Å; E537-K540 IonicContact OE2-NZ 2.72Å; E537-L541 WeakPolarHBondContact O-CB 3.39Å; E537-L541 PolarHBondContact O-N 3.07Å
538	R	86.7	Confident	81.8	Confident	187 Å²	187	102.5 Å²	102.5	71%	0.706	48%	0.481	S	S	*	.	H	α-helix	trans	-59.4	-43	170.8	-75.6	175.8	-173.1	-171.6	4.8	112.3	L534 Q535 L541 A542	L534-R538 WeakPolarHBondContact O-CB 3.38Å; L534-R538 VanDerWaalsContact O-CG 3.25Å; L534-R538 WeakPolarHBondContact O-CG 3.41Å; L534-R538 PolarHBondContact O-N 3.35Å; Q535-R538 PolarHBondContact O-N 3.38Å; R538-L541 PolarHBondContact O-N 3.45Å; R538-A542 WeakPolarHBondContact O-CB 3.27Å; R538-A542 PolarHBondContact O-N 2.87Å
539	R	81.8	Confident	81.7	Confident	166 Å²	166	105.5 Å²	105.5	63%	0.626	49%	0.485	S	S	*	.	H	α-helix	trans	-65.1	-43.5	176.9	-71	179.3	-165.1	176.9	6.7	112	Q535 R536 E537 A542 L543	Q535-R539 VanDerWaalsContact NE2-NH2 3.12Å; Q535-R539 WeakPolarHBondContact O-CG 3.31Å; Q535-R539 PolarHBondContact O-N 3.34Å; R536-R539 PolarHBondContact O-N 3.47Å; E537-R539 VanDerWaalsContact C-N 3.35Å; E537-R539 PolarHBondContact O-N 2.76Å; R539-A542 PolarHBondContact O-N 3.08Å; R539-L543 WeakPolarHBondContact O-CB 3.23Å; R539-L543 PolarHBondContact O-N 3.33Å
540	K	82	Confident	81.6	Confident	77 Å²	77	101.9 Å²	101.9	34%	0.335	47%	0.468	S	S	.	.	H	α-helix	trans	-60.8	-47.1	175.3	-74.1	179.1	-175.2	165.8	0	111.7	R536 E537 A542 L543 F544	R536-K540 PolarHBondContact O-N 3.14Å; E537-K540 PolarHBondContact O-N 2.81Å; E537-K540 IonicContact OE1-NZ 3.19Å; E537-K540 PolarHBondContact OE1-NZ 2.7Å; E537-K540 IonicContact OE2-NZ 2.72Å; K540-A542 VanDerWaalsContact C-N 3.32Å; K540-A542 PolarHBondContact O-N 3.44Å; K540-L543 WeakPolarHBondContact O-CB 3.09Å; K540-L543 PolarHBondContact O-N 2.98Å; K540-L543 VanDerWaalsContact O-N 3.15Å; K540-F544 HydrophobicContact CB-CD2 4.48Å; K540-F544 HydrophobicContact CB-CE2 4.42Å; K540-F544 WeakPolarHBondContact O-CD2 3.43Å; K540-F544 PolarHBondContact O-N 3.12Å
541	L	82.3	Confident	80.9	Confident	68 Å²	68	101.7 Å²	101.7	36%	0.356	46%	0.463	S	S	.	.	H	α-helix	trans	-62.7	-40.5	179.8	-171.8	71	0	0	0	111.5	E537 R538 L543 F544 K545	E537-L541 WeakPolarHBondContact O-CB 3.39Å; E537-L541 PolarHBondContact O-N 3.07Å; R538-L541 PolarHBondContact O-N 3.45Å; L541-L543 VanDerWaalsContact C-N 3.32Å; L541-L543 PolarHBondContact O-N 2.89Å; L541-F544 PolarHBondContact O-N 3Å; L541-K545 HydrophobicContact CG-CD 4.5Å; L541-K545 WeakPolarHBondContact O-CB 3.43Å; L541-K545 WeakPolarHBondContact O-CG 3.42Å; L541-K545 PolarHBondContact O-N 3.11Å
542	A	81.2	Confident	80.6	Confident	59 Å²	59	101.9 Å²	101.9	49%	0.488	46%	0.461	S	S	.	.	H	α-helix	trans	-60.8	-42.5	174.1	0	0	0	0	0	111.8	R538 R539 K540 K545 R546	R538-A542 WeakPolarHBondContact O-CB 3.27Å; R538-A542 PolarHBondContact O-N 2.87Å; R539-A542 PolarHBondContact O-N 3.08Å; K540-A542 VanDerWaalsContact C-N 3.32Å; K540-A542 PolarHBondContact O-N 3.44Å; A542-K545 PolarHBondContact O-N 3.22Å; A542-R546 PolarHBondContact O-N 3.08Å
543	L	78.2	Confident	80.6	Confident	95 Å²	95	98.9 Å²	98.9	50%	0.497	45%	0.447	S	S	.	.	H	α-helix	trans	-63.6	-46.8	176.1	-175.1	143.6	0	0	0	111.8	R539 K540 L541 K545 R546 M547	R539-L543 WeakPolarHBondContact O-CB 3.23Å; R539-L543 PolarHBondContact O-N 3.33Å; K540-L543 WeakPolarHBondContact O-CB 3.09Å; K540-L543 PolarHBondContact O-N 2.98Å; K540-L543 VanDerWaalsContact O-N 3.15Å; L541-L543 VanDerWaalsContact C-N 3.32Å; L541-L543 PolarHBondContact O-N 2.89Å; L543-K545 PolarHBondContact O-N 2.82Å; L543-R546 WeakPolarHBondContact O-CB 3.34Å; L543-R546 PolarHBondContact O-N 3.43Å; L543-R546 VanDerWaalsContact O-N 3.17Å; L543-M547 HydrophobicContact CD2-CG 4.22Å; L543-M547 HydrophobicContact CD2-SD 3.45Å; L543-M547 WeakPolarHBondContact CD2-SD 3.22Å; L543-M547 HydrophobicContact CG-SD 4.46Å; L543-M547 WeakPolarHBondContact O-CG 3.16Å; L543-M547 PolarHBondContact O-N 3.05Å
544	F	77.5	Confident	80	Confident	69 Å²	69	97.5 Å²	97.5	30%	0.303	44%	0.435	S	S	.	.	H	α-helix	trans	-61.4	-42.9	176.2	-78.8	-62.1	0	0	0	112.7	K540 L541 R546 M547 W548	K540-F544 HydrophobicContact CB-CD2 4.48Å; K540-F544 HydrophobicContact CB-CE2 4.42Å; K540-F544 WeakPolarHBondContact O-CD2 3.43Å; K540-F544 PolarHBondContact O-N 3.12Å; L541-F544 PolarHBondContact O-N 3Å; F544-R546 VanDerWaalsContact C-N 3.28Å; F544-R546 PolarHBondContact O-N 3.26Å; F544-M547 PolarHBondContact O-N 3.21Å; F544-W548 VanDerWaalsContact O-CB 3.31Å; F544-W548 WeakPolarHBondContact O-CB 3.44Å; F544-W548 PolarHBondContact O-N 2.97Å
545	K	81.7	Confident	79	Confident	134 Å²	134	97.1 Å²	97.1	58%	0.583	43%	0.433	S	S	*	.	H	α-helix	trans	-60.7	-39.2	175.2	-76.2	179.8	177.6	-174.7	0	111.8	L541 A542 L543 R549	L541-K545 HydrophobicContact CG-CD 4.5Å; L541-K545 WeakPolarHBondContact O-CB 3.43Å; L541-K545 WeakPolarHBondContact O-CG 3.42Å; L541-K545 PolarHBondContact O-N 3.11Å; A542-K545 PolarHBondContact O-N 3.22Å; L543-K545 PolarHBondContact O-N 2.82Å; K545-R549 WeakPolarHBondContact O-CB 3.47Å; K545-R549 PolarHBondContact O-N 3.4Å
546	R	74.9	Confident	78.3	Confident	104 Å²	104	94.2 Å²	94.2	39%	0.392	42%	0.424	S	S	.	.	H	α-helix	trans	-64.6	-50.7	175.4	-169.3	-175.9	-168.8	162.5	9	111.2	A542 L543 F544 W548 R549 I550 I575	A542-R546 PolarHBondContact O-N 3.08Å; L543-R546 WeakPolarHBondContact O-CB 3.34Å; L543-R546 PolarHBondContact O-N 3.43Å; L543-R546 VanDerWaalsContact O-N 3.17Å; F544-R546 VanDerWaalsContact C-N 3.28Å; F544-R546 PolarHBondContact O-N 3.26Å; R546-W548 VanDerWaalsContact C-N 3.31Å; R546-W548 PolarHBondContact O-N 3.28Å; R546-R549 PolarHBondContact O-N 3.07Å; R546-I550 HydrophobicContact CG-CD1 4.21Å; R546-I550 WeakPolarHBondContact O-CG1 3.11Å; R546-I550 PolarHBondContact O-N 3.49Å; R546-I575 PolarHBondContact NE-O 2.94Å; R546-I575 PolarHBondContact NH2-O 3.14Å
547	M	77.3	Confident	77.5	Confident	89 Å²	89	88 Å²	88	44%	0.438	41%	0.407	S	S	.	.	H	α-helix	trans	-59.2	-41.6	178.4	-70.8	177.9	71.5	0	0	112.3	L543 F544 I550 S551	L543-M547 HydrophobicContact CD2-CG 4.22Å; L543-M547 HydrophobicContact CD2-SD 3.45Å; L543-M547 WeakPolarHBondContact CD2-SD 3.22Å; L543-M547 HydrophobicContact CG-SD 4.46Å; L543-M547 WeakPolarHBondContact O-CG 3.16Å; L543-M547 PolarHBondContact O-N 3.05Å; F544-M547 PolarHBondContact O-N 3.21Å; M547-I550 WeakPolarHBondContact O-CB 3.48Å; M547-I550 PolarHBondContact O-N 3.24Å; M547-S551 PolarHBondContact O-N 2.9Å
548	W	78	Confident	76.3	Confident	161 Å²	161	89.9 Å²	89.9	61%	0.61	42%	0.419	S	S	*	.	H	α-helix	trans	-63.5	-45.6	177.5	-178.8	72.9	0	0	0	111.4	F544 R546 I550 S551 E552	F544-W548 VanDerWaalsContact O-CB 3.31Å; F544-W548 WeakPolarHBondContact O-CB 3.44Å; F544-W548 PolarHBondContact O-N 2.97Å; R546-W548 VanDerWaalsContact C-N 3.31Å; R546-W548 PolarHBondContact O-N 3.28Å; W548-I550 VanDerWaalsContact C-N 3.31Å; W548-I550 PolarHBondContact O-N 3.08Å; W548-S551 WeakPolarHBondContact O-CB 3.33Å; W548-S551 PolarHBondContact O-N 3.32Å; W548-S551 VanDerWaalsContact O-N 3.09Å; W548-E552 HydrophobicContact CD2-CG 4.23Å; W548-E552 HydrophobicContact CH2-CG 4.41Å; W548-E552 WeakPolarHBondContact CH2-OE1 3.44Å; W548-E552 WeakPolarHBondContact CH2-OE2 3.21Å; W548-E552 HydrophobicContact CZ2-CG 4.1Å; W548-E552 WeakPolarHBondContact CZ2-OE1 3.48Å; W548-E552 VanDerWaalsContact CZ3-OE2 3.24Å; W548-E552 WeakPolarHBondContact CZ3-OE2 3.29Å; W548-E552 PolarHBondContact O-N 2.96Å
549	R	78.3	Confident	75.5	Confident	171 Å²	171	88.9 Å²	88.9	65%	0.645	42%	0.422	S	S	*	.	H	α-helix	trans	-61.6	-38.4	175.9	-170.4	163.3	-175.2	165.5	0.6	112.6	K545 R546 I553	K545-R549 WeakPolarHBondContact O-CB 3.47Å; K545-R549 PolarHBondContact O-N 3.4Å; R546-R549 PolarHBondContact O-N 3.07Å; R549-I553 HydrophobicContact CG-CD1 4.23Å; R549-I553 WeakPolarHBondContact O-CD1 3.07Å; R549-I553 VanDerWaalsContact O-CG1 3.28Å; R549-I553 WeakPolarHBondContact O-CG1 2.97Å; R549-I553 PolarHBondContact O-N 3.32Å; R549-I553 VanDerWaalsContact O-N 3.09Å
550	I	72.9	Confident	74.8	Confident	13 Å²	13	89.3 Å²	89.3	7%	0.067	43%	0.429	C	S	.	.	H	α-helix	trans	-59.8	-47.9	171.9	-73.1	169	0	0	0	110.3	R546 M547 W548 E552 I553 Q554 A573 I575 D581	R546-I550 HydrophobicContact CG-CD1 4.21Å; R546-I550 WeakPolarHBondContact O-CG1 3.11Å; R546-I550 PolarHBondContact O-N 3.49Å; M547-I550 WeakPolarHBondContact O-CB 3.48Å; M547-I550 PolarHBondContact O-N 3.24Å; W548-I550 VanDerWaalsContact C-N 3.31Å; W548-I550 PolarHBondContact O-N 3.08Å; I550-E552 PolarHBondContact O-N 2.99Å; I550-I553 PolarHBondContact O-N 2.75Å; I550-Q554 WeakPolarHBondContact O-CG 3.45Å; I550-Q554 PolarHBondContact O-N 2.85Å; I550-A573 WeakPolarHBondContact CG1-O 3.25Å; I550-A573 WeakPolarHBondContact CG2-O 3.37Å; I550-I575 HydrophobicContact CG1-CB 4.47Å; I550-D581 HydrophobicContact CD1-CB 4.48Å
551	S	70.9	Confident	73.7	Confident	45 Å²	45	90.9 Å²	90.9	32%	0.315	44%	0.437	S	S	.	.	H	α-helix	trans	-65	-39.2	179.7	-177.3	0	0	0	0	113.1	M547 W548 I553 Q554 L555	M547-S551 PolarHBondContact O-N 2.9Å; W548-S551 WeakPolarHBondContact O-CB 3.33Å; W548-S551 PolarHBondContact O-N 3.32Å; W548-S551 VanDerWaalsContact O-N 3.09Å; S551-I553 VanDerWaalsContact C-N 3.34Å; S551-Q554 WeakPolarHBondContact O-CB 3.4Å; S551-Q554 PolarHBondContact O-N 3.38Å; S551-L555 WeakPolarHBondContact O-CB 3.28Å; S551-L555 VanDerWaalsContact O-CG 3.29Å; S551-L555 WeakPolarHBondContact O-CG 3.12Å; S551-L555 PolarHBondContact O-N 2.67Å
552	E	79.5	Confident	72.4	Confident	86 Å²	86	95.9 Å²	95.9	40%	0.402	46%	0.464	S	S	.	.	H	α-helix	trans	-62.6	-42.1	173.8	-75.3	-167.5	137.1	0	0	111.8	W548 I550 L555 S556	W548-E552 HydrophobicContact CD2-CG 4.23Å; W548-E552 HydrophobicContact CH2-CG 4.41Å; W548-E552 WeakPolarHBondContact CH2-OE1 3.44Å; W548-E552 WeakPolarHBondContact CH2-OE2 3.21Å; W548-E552 HydrophobicContact CZ2-CG 4.1Å; W548-E552 WeakPolarHBondContact CZ2-OE1 3.48Å; W548-E552 VanDerWaalsContact CZ3-OE2 3.24Å; W548-E552 WeakPolarHBondContact CZ3-OE2 3.29Å; W548-E552 PolarHBondContact O-N 2.96Å; I550-E552 PolarHBondContact O-N 2.99Å; E552-L555 PolarHBondContact O-N 3.25Å; E552-S556 VanDerWaalsContact O-CB 3.29Å; E552-S556 WeakPolarHBondContact O-CB 3.14Å; E552-S556 PolarHBondContact O-N 2.9Å; E552-S556 PolarHBondContact O-OG 3.12Å
553	I	75.2	Confident	70.9	Confident	45 Å²	45	97.6 Å²	97.6	23%	0.231	47%	0.472	C	S	.	.	H	α-helix	trans	-63.4	-45.4	176.7	-70	167.9	0	0	0	110	R549 I550 S551 L555 S556 A557 T572 I575	R549-I553 HydrophobicContact CG-CD1 4.23Å; R549-I553 WeakPolarHBondContact O-CD1 3.07Å; R549-I553 VanDerWaalsContact O-CG1 3.28Å; R549-I553 WeakPolarHBondContact O-CG1 2.97Å; R549-I553 PolarHBondContact O-N 3.32Å; R549-I553 VanDerWaalsContact O-N 3.09Å; I550-I553 PolarHBondContact O-N 2.75Å; S551-I553 VanDerWaalsContact C-N 3.34Å; I553-L555 PolarHBondContact O-N 2.87Å; I553-S556 PolarHBondContact O-N 2.65Å; I553-S556 PolarHBondContact O-OG 3.41Å; I553-A557 VanDerWaalsContact O-CB 3.29Å; I553-A557 WeakPolarHBondContact O-CB 3.31Å; I553-A557 PolarHBondContact O-N 2.73Å; I553-T572 HydrophobicContact CG2-CG2 4.44Å; I553-I575 HydrophobicContact CD1-CD1 3.27Å
554	Q	72.2	Confident	69.5	Low	54 Å²	54	101.2 Å²	101.2	25%	0.252	49%	0.491	S	S	.	.	H	α-helix	trans	-54.6	-51.1	173.3	-73	169.4	-17.8	0	0	111.8	I550 S551 A557 L558 A573	I550-Q554 WeakPolarHBondContact O-CG 3.45Å; I550-Q554 PolarHBondContact O-N 2.85Å; S551-Q554 WeakPolarHBondContact O-CB 3.4Å; S551-Q554 PolarHBondContact O-N 3.38Å; Q554-A557 PolarHBondContact O-N 2.71Å; Q554-L558 WeakPolarHBondContact O-CG 3.3Å; Q554-L558 PolarHBondContact O-N 3.16Å; Q554-A573 HydrophobicContact CB-CB 4.42Å; Q554-A573 HydrophobicContact CG-CB 3.14Å
555	L	69	Low	68.3	Low	83 Å²	83	102.6 Å²	102.6	44%	0.435	50%	0.501	S	S	.	.	H	α-helix	trans	-63.5	-46.9	-179.4	-73.2	169.5	0	0	0	111.6	S551 E552 I553 A557 L558 E559	S551-L555 WeakPolarHBondContact O-CB 3.28Å; S551-L555 VanDerWaalsContact O-CG 3.29Å; S551-L555 WeakPolarHBondContact O-CG 3.12Å; S551-L555 PolarHBondContact O-N 2.67Å; E552-L555 PolarHBondContact O-N 3.25Å; I553-L555 PolarHBondContact O-N 2.87Å; L555-A557 PolarHBondContact O-N 2.91Å; L555-L558 PolarHBondContact O-N 3.25Å; L555-E559 PolarHBondContact O-N 3.34Å
556	S	71.3	Confident	67.1	Low	44 Å²	44	98.1 Å²	98.1	31%	0.308	49%	0.486	S	S	.	.	H	α-helix	trans	-62.3	-32	-179.7	74.1	0	0	0	0	112.9	E552 I553 K560	E552-S556 VanDerWaalsContact O-CB 3.29Å; E552-S556 WeakPolarHBondContact O-CB 3.14Å; E552-S556 PolarHBondContact O-N 2.9Å; E552-S556 PolarHBondContact O-OG 3.12Å; I553-S556 PolarHBondContact O-N 2.65Å; I553-S556 PolarHBondContact O-OG 3.41Å; S556-K560 VanDerWaalsContact O-CG 3.29Å; S556-K560 WeakPolarHBondContact O-CG 3.5Å; S556-K560 PolarHBondContact O-N 2.62Å
557	A	68.4	Low	66.3	Low	29 Å²	29	96.3 Å²	96.3	24%	0.24	49%	0.49	C	S	.	.	H	α-helix	trans	-86	-26	-179.3	0	0	0	0	0	111.6	I553 Q554 L555 L569	I553-A557 VanDerWaalsContact O-CB 3.29Å; I553-A557 WeakPolarHBondContact O-CB 3.31Å; I553-A557 PolarHBondContact O-N 2.73Å; Q554-A557 PolarHBondContact O-N 2.71Å; L555-A557 PolarHBondContact O-N 2.91Å; A557-L569 VanDerWaalsContact C-CD1 3.47Å; A557-L569 HydrophobicContact CB-CD1 3.02Å
558	L	63.8	Low	65.5	Low	108 Å²	108	96.1 Å²	96.1	57%	0.565	49%	0.488	S	S	*	.	H	α-helix	trans	-66.4	-40.2	164.3	-72.7	170.6	0	0	0	112	Q554 L555 K560 L569	Q554-L558 WeakPolarHBondContact O-CG 3.3Å; Q554-L558 PolarHBondContact O-N 3.16Å; L555-L558 PolarHBondContact O-N 3.25Å; L558-K560 VanDerWaalsContact C-N 3.32Å; L558-K560 PolarHBondContact O-N 2.75Å; L558-L569 HydrophobicContact CD2-CD2 4.13Å; L558-L569 HydrophobicContact CD2-CG 4.39Å; L558-L569 HydrophobicContact CG-CD2 4.23Å
559	E	69.6	Low	64.6	Low	166 Å²	166	90 Å²	90	78%	0.776	47%	0.467	S	S	*	.	H	α-helix	trans	-65.7	-33.5	177.3	-77.5	179.5	173.2	0	0	112.8	L555	L555-E559 PolarHBondContact O-N 3.34Å
560	K	66.2	Low	63.6	Low	176 Å²	176	83.7 Å²	83.7	77%	0.765	45%	0.446	S	S	*	.	H	α-helix	trans	-79.2	-16.1	-176.8	-76.6	175.8	-177.9	178.9	0	114.7	S556 L558	S556-K560 VanDerWaalsContact O-CG 3.29Å; S556-K560 WeakPolarHBondContact O-CG 3.5Å; S556-K560 PolarHBondContact O-N 2.62Å; L558-K560 VanDerWaalsContact C-N 3.32Å; L558-K560 PolarHBondContact O-N 2.75Å
561	Q	59.7	Low	63	Low	110 Å²	110	89 Å²	89	51%	0.514	47%	0.465	S	S	.	.			trans	-133.9	113	-180	-73.4	-158.8	-19.3	0	0	113.2	S563	Q561-S563 VanDerWaalsContact C-N 3.26Å; Q561-S563 PolarHBondContact O-N 3.01Å
562	N	53.6	Low	62.4	Low	172 Å²	172	90.4 Å²	90.4	92%	0.92	47%	0.472	S	S	*	.	S	Bend	trans	-78.7	-0.8	172.3	-97.8	-16.8	0	0	0	114.1
563	S	50.3	Low	61.4	Low	95 Å²	95	86.3 Å²	86.3	66%	0.664	45%	0.453	S	S	*	.	S	Bend	trans	-153.8	103.7	-173.9	25.5	0	0	0	0	112.8	Q561	Q561-S563 VanDerWaalsContact C-N 3.26Å; Q561-S563 PolarHBondContact O-N 3.01Å
564	L	48.6	Very low	60.7	Low	171 Å²	171	86 Å²	86	90%	0.895	45%	0.451	S	S	*	.			trans	64.9	62.1	140	-144.9	94.7	0	0	0	119.6
565	I	51.9	Low	59.9	Low	98 Å²	98	87.7 Å²	87.7	50%	0.503	46%	0.46	S	S	.	.			trans	-142.3	81.7	146.2	-49.8	178.8	0	0	0	109.8	S567 E568 L569	I565-S567 VanDerWaalsContact C-N 3.29Å; I565-S567 PolarHBondContact O-N 3.02Å; I565-E568 HydrophobicContact CG2-CB 3.76Å; I565-L569 WeakPolarHBondContact O-CB 3.48Å
566	S	58.4	Low	59.3	Low	40 Å²	40	84.1 Å²	84.1	28%	0.28	44%	0.444	S	S	.	.	H	α-helix	trans	-67.6	-26.1	179.8	-171.1	0	0	0	0	113.5	L570	S566-L570 WeakPolarHBondContact O-CD1 3.29Å; S566-L570 WeakPolarHBondContact O-CG 3.2Å; S566-L570 PolarHBondContact O-N 3.27Å
567	S	57.8	Low	58.7	Low	67 Å²	67	90 Å²	90	47%	0.469	47%	0.466	S	S	.	.	H	α-helix	trans	-78.3	-43.3	-173.6	-165.9	0	0	0	0	112.8	I565 L570 R571	I565-S567 VanDerWaalsContact C-N 3.29Å; I565-S567 PolarHBondContact O-N 3.02Å; S567-L570 PolarHBondContact O-N 2.8Å; S567-R571 PolarHBondContact O-N 3.08Å
568	E	59.3	Low	58	Low	85 Å²	85	90.7 Å²	90.7	40%	0.397	47%	0.47	S	S	.	.	H	α-helix	trans	-71.4	-34.8	-179.2	-166.1	61.7	-159.1	0	0	111.4	I565 R571 T572	I565-E568 HydrophobicContact CG2-CB 3.76Å; E568-R571 PolarHBondContact O-N 2.65Å; E568-R571 IonicContact OE1-CZ 3.19Å; E568-R571 IonicContact OE1-NE 3.05Å; E568-R571 PolarHBondContact OE1-NE 2.98Å; E568-R571 IonicContact OE1-NH2 3.42Å; E568-R571 PolarHBondContact OE1-NH2 2.95Å; E568-R571 IonicContact OE2-CZ 3.26Å; E568-R571 IonicContact OE2-NE 2.74Å; E568-R571 PolarHBondContact OE2-NE 2.8Å; E568-R571 IonicContact OE2-NH2 3.58Å; E568-R571 PolarHBondContact OE2-NH2 3.29Å; E568-T572 WeakPolarHBondContact O-CB 3.47Å; E568-T572 PolarHBondContact O-N 3.22Å; E568-T572 PolarHBondContact O-OG1 2.99Å
569	L	60	Low	57.5	Low	31 Å²	31	88.2 Å²	88.2	16%	0.162	46%	0.459	C	S	.	.	H	α-helix	trans	-57.5	-50.2	173.6	-172	47.3	0	0	0	111.1	A557 L558 I565 T572 A573	A557-L569 VanDerWaalsContact C-CD1 3.47Å; A557-L569 HydrophobicContact CB-CD1 3.02Å; L558-L569 HydrophobicContact CD2-CD2 4.13Å; L558-L569 HydrophobicContact CD2-CG 4.39Å; L558-L569 HydrophobicContact CG-CD2 4.23Å; I565-L569 WeakPolarHBondContact O-CB 3.48Å; L569-T572 PolarHBondContact O-N 3.42Å; L569-A573 VanDerWaalsContact O-CB 3.25Å; L569-A573 WeakPolarHBondContact O-CB 3.49Å; L569-A573 PolarHBondContact O-N 2.64Å
570	L	57.9	Low	56.7	Low	40 Å²	40	89 Å²	89	21%	0.209	46%	0.456	C	S	.	.	H	α-helix	trans	-66.5	-36.4	175.9	-73.9	167.1	0	0	0	112.1	S566 S567 H574 W583	S566-L570 WeakPolarHBondContact O-CD1 3.29Å; S566-L570 WeakPolarHBondContact O-CG 3.2Å; S566-L570 PolarHBondContact O-N 3.27Å; S567-L570 PolarHBondContact O-N 2.8Å; L570-H574 PolarHBondContact O-N 3.47Å; L570-H574 PolarHBondContact O-ND1 2.85Å; L570-W583 HydrophobicContact CB-CE3 4.06Å; L570-W583 HydrophobicContact CB-CH2 4.38Å; L570-W583 HydrophobicContact CB-CZ3 3.94Å; L570-W583 HydrophobicContact CD1-CH2 4.3Å; L570-W583 HydrophobicContact CD1-CZ3 4.1Å
571	R	60.3	Low	56.2	Low	123 Å²	123	82.4 Å²	82.4	46%	0.464	43%	0.429	S	S	.	.	H	α-helix	trans	-64.4	-44.2	175.5	-170	170.5	82.2	151	3.2	112.3	S567 E568 A573 H574 W583	S567-R571 PolarHBondContact O-N 3.08Å; E568-R571 PolarHBondContact O-N 2.65Å; E568-R571 IonicContact OE1-CZ 3.19Å; E568-R571 IonicContact OE1-NE 3.05Å; E568-R571 PolarHBondContact OE1-NE 2.98Å; E568-R571 IonicContact OE1-NH2 3.42Å; E568-R571 PolarHBondContact OE1-NH2 2.95Å; E568-R571 IonicContact OE2-CZ 3.26Å; E568-R571 IonicContact OE2-NE 2.74Å; E568-R571 PolarHBondContact OE2-NE 2.8Å; E568-R571 IonicContact OE2-NH2 3.58Å; E568-R571 PolarHBondContact OE2-NH2 3.29Å; R571-A573 VanDerWaalsContact C-N 3.33Å; R571-H574 PolarHBondContact O-N 2.73Å; R571-W583 HydrophobicContact CB-CB 4.47Å; R571-W583 HydrophobicContact CB-CG 4.02Å; R571-W583 HydrophobicContact CG-CB 4.3Å; R571-W583 HydrophobicContact CG-CG 4.08Å
572	T	58	Low	56.1	Low	75 Å²	75	79.1 Å²	79.1	46%	0.46	42%	0.415	S	S	.	.	H	α-helix	trans	-70	-33.1	-179.4	-42.9	0	0	0	0	112	I553 E568 L569 I575	I553-T572 HydrophobicContact CG2-CG2 4.44Å; E568-T572 WeakPolarHBondContact O-CB 3.47Å; E568-T572 PolarHBondContact O-N 3.22Å; E568-T572 PolarHBondContact O-OG1 2.99Å; L569-T572 PolarHBondContact O-N 3.42Å; T572-I575 WeakPolarHBondContact O-CG1 3.27Å
573	A	56.9	Low	56.5	Low	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-67.5	-36.2	176.9	0	0	0	0	0	113.8	I550 Q554 L569 R571 I575	I550-A573 WeakPolarHBondContact CG1-O 3.25Å; I550-A573 WeakPolarHBondContact CG2-O 3.37Å; Q554-A573 HydrophobicContact CB-CB 4.42Å; Q554-A573 HydrophobicContact CG-CB 3.14Å; L569-A573 VanDerWaalsContact O-CB 3.25Å; L569-A573 WeakPolarHBondContact O-CB 3.49Å; L569-A573 PolarHBondContact O-N 2.64Å; R571-A573 VanDerWaalsContact C-N 3.33Å; A573-I575 PolarHBondContact O-N 2.79Å
574	H	60.4	Low	57.2	Low	40 Å²	40	74.8 Å²	74.8	19%	0.185	38%	0.377	C	S	.	.			trans	-82.9	93.9	-177	-74.8	130.1	0	0	0	110.6	L570 R571 Y580 D581 W583	L570-H574 PolarHBondContact O-N 3.47Å; L570-H574 PolarHBondContact O-ND1 2.85Å; R571-H574 PolarHBondContact O-N 2.73Å; H574-Y580 PolarHBondContact CD2-O 3.18Å; H574-D581 CarbonylContact C-O 2.9Å; H574-D581 WeakPolarHBondContact CA-O 3.4Å; H574-D581 WeakPolarHBondContact CB-O 3.42Å; H574-W583 HydrophobicContact CB-CB 3.83Å; H574-W583 AromaticContact ND1-CE3 3.74Å
575	I	55.6	Low	57.8	Low	88 Å²	88	70.1 Å²	70.1	45%	0.451	35%	0.353	S	S	.	.			trans	-105.9	32.1	-175.9	-47.2	172.9	0	0	0	110.8	R546 I550 I553 T572 A573 D581	R546-I575 PolarHBondContact NE-O 2.94Å; R546-I575 PolarHBondContact NH2-O 3.14Å; I550-I575 HydrophobicContact CG1-CB 4.47Å; I553-I575 HydrophobicContact CD1-CD1 3.27Å; T572-I575 WeakPolarHBondContact O-CG1 3.27Å; A573-I575 PolarHBondContact O-N 2.79Å; I575-D581 PolarHBondContact N-O 2.82Å; I575-D581 VanDerWaalsContact N-O 3.12Å
576	G	56.7	Low	58.2	Low	9 Å²	9	69 Å²	69	9%	0.093	34%	0.344	C	S	.	.			trans	-97.7	159.6	-169.2	0	0	0	0	0	117.6	D581 N582	G576-D581 VanDerWaalsContact CA-C 3.49Å; G576-D581 WeakPolarHBondContact CA-O 3.41Å; G576-D581 PolarHBondContact N-O 3.09Å; G576-N582 VanDerWaalsContact O-CB 3.26Å; G576-N582 WeakPolarHBondContact O-CB 3.28Å; G576-N582 PolarHBondContact O-ND2 3.26Å
577	E	59.1	Low	58.5	Low	166 Å²	166	70.8 Å²	70.8	78%	0.776	35%	0.35	S	S	*	.	S	Bend	trans	-99.8	-18	154.6	-70.2	-178.8	172.6	0	0	111.9	L585	E577-L585 VanDerWaalsContact O-CD1 3.28Å; E577-L585 WeakPolarHBondContact O-CD1 3.18Å
578	S	54.1	Low	58.7	Low	45 Å²	45	71 Å²	71	32%	0.315	36%	0.356	S	S	.	.	S	Bend	trans	-74	152.9	175.9	93.6	0	0	0	0	110.3	Y580 D581 N582	S578-Y580 PolarHBondContact O-N 3.36Å; S578-Y580 VanDerWaalsContact O-N 3.14Å; S578-Y580 PolarHBondContact OG-N 3.39Å; S578-D581 WeakPolarHBondContact CB-OD2 3.43Å; S578-D581 CarbonylContact O-C 3.53Å; S578-D581 PolarHBondContact O-N 2.97Å; S578-D581 WeakPolarHBondContact OG-CB 3.4Å; S578-D581 PolarHBondContact OG-N 3.09Å; S578-D581 PolarHBondContact OG-OD2 2.61Å; S578-N582 VanDerWaalsContact O-CB 3.3Å; S578-N582 WeakPolarHBondContact O-CB 3.46Å; S578-N582 PolarHBondContact O-N 2.96Å
579	V	52.7	Low	58.8	Low	55 Å²	55	75 Å²	75	33%	0.333	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.7	178.4	176.9	0	0	0	0	112.3	L585 F586 Y589	V579-L585 HydrophobicContact CB-CB 4.37Å; V579-L585 HydrophobicContact CG1-CB 4.43Å; V579-L585 HydrophobicContact CG2-CB 4.23Å; V579-L585 HydrophobicContact CG2-CD1 4.44Å; V579-F586 WeakPolarHBondContact O-CA 3.15Å; V579-F586 WeakPolarHBondContact O-CB 3.37Å; V579-F586 PolarHBondContact O-N 3.23Å; V579-Y589 HydrophobicContact CG1-CG 4.47Å
580	Y	53.6	Low	58.5	Low	182 Å²	182	77.9 Å²	77.9	71%	0.714	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-28.6	178.3	-59.8	-74.8	0	0	0	112.9	H574 S578	H574-Y580 PolarHBondContact CD2-O 3.18Å; S578-Y580 PolarHBondContact O-N 3.36Å; S578-Y580 VanDerWaalsContact O-N 3.14Å; S578-Y580 PolarHBondContact OG-N 3.39Å
581	D	55.9	Low	58.2	Low	38 Å²	38	80.4 Å²	80.4	20%	0.203	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-12.2	-174.1	-59.2	-47.4	0	0	0	111.7	I550 H574 I575 G576 S578	I550-D581 HydrophobicContact CD1-CB 4.48Å; H574-D581 CarbonylContact C-O 2.9Å; H574-D581 WeakPolarHBondContact CA-O 3.4Å; H574-D581 WeakPolarHBondContact CB-O 3.42Å; I575-D581 PolarHBondContact N-O 2.82Å; I575-D581 VanDerWaalsContact N-O 3.12Å; G576-D581 VanDerWaalsContact CA-C 3.49Å; G576-D581 WeakPolarHBondContact CA-O 3.41Å; G576-D581 PolarHBondContact N-O 3.09Å; S578-D581 WeakPolarHBondContact CB-OD2 3.43Å; S578-D581 CarbonylContact O-C 3.53Å; S578-D581 PolarHBondContact O-N 2.97Å; S578-D581 WeakPolarHBondContact OG-CB 3.4Å; S578-D581 PolarHBondContact OG-N 3.09Å; S578-D581 PolarHBondContact OG-OD2 2.61Å
582	N	57.5	Low	57.7	Low	42 Å²	42	79.3 Å²	79.3	23%	0.225	41%	0.407	C	S	.	.			trans	-113.3	114.4	-178.5	-173.2	-43.9	0	0	0	109.9	G576 S578 E584 L585 F586	G576-N582 VanDerWaalsContact O-CB 3.26Å; G576-N582 WeakPolarHBondContact O-CB 3.28Å; G576-N582 PolarHBondContact O-ND2 3.26Å; S578-N582 VanDerWaalsContact O-CB 3.3Å; S578-N582 WeakPolarHBondContact O-CB 3.46Å; S578-N582 PolarHBondContact O-N 2.96Å; N582-E584 VanDerWaalsContact C-N 3.29Å; N582-E584 PolarHBondContact O-N 3.41Å; N582-E584 PolarHBondContact OD1-N 3.46Å; N582-L585 HydrophobicContact CB-CB 4.05Å; N582-L585 HydrophobicContact CB-CD1 3.94Å; N582-L585 HydrophobicContact CB-CG 4.09Å; N582-L585 PolarHBondContact O-N 3.02Å; N582-L585 PolarHBondContact OD1-N 2.67Å; N582-F586 WeakPolarHBondContact O-CB 3.45Å; N582-F586 PolarHBondContact O-N 3.48Å
583	W	62.1	Low	57.1	Low	39 Å²	39	81 Å²	81	15%	0.148	42%	0.421	C	S	.	.	H	α-helix	trans	-57.6	-40	-177.2	172.2	-109.4	0	0	0	113.2	L570 R571 H574 F586 L587	L570-W583 HydrophobicContact CB-CE3 4.06Å; L570-W583 HydrophobicContact CB-CH2 4.38Å; L570-W583 HydrophobicContact CB-CZ3 3.94Å; L570-W583 HydrophobicContact CD1-CH2 4.3Å; L570-W583 HydrophobicContact CD1-CZ3 4.1Å; R571-W583 HydrophobicContact CB-CB 4.47Å; R571-W583 HydrophobicContact CB-CG 4.02Å; R571-W583 HydrophobicContact CG-CB 4.3Å; R571-W583 HydrophobicContact CG-CG 4.08Å; H574-W583 HydrophobicContact CB-CB 3.83Å; H574-W583 AromaticContact ND1-CE3 3.74Å; W583-F586 HydrophobicContact CZ3-CD1 4.43Å; W583-F586 PolarHBondContact O-N 3.1Å; W583-L587 HydrophobicContact CD2-CD1 4.05Å; W583-L587 HydrophobicContact CD2-CG 4.15Å; W583-L587 HydrophobicContact CE3-CG 4.41Å; W583-L587 HydrophobicContact CG-CD1 4.43Å; W583-L587 HydrophobicContact CH2-CD1 4.34Å; W583-L587 HydrophobicContact CH2-CD2 3.92Å; W583-L587 HydrophobicContact CH2-CG 4.21Å; W583-L587 HydrophobicContact CZ2-CD1 3.56Å; W583-L587 HydrophobicContact CZ2-CD2 3.94Å; W583-L587 HydrophobicContact CZ2-CG 3.92Å; W583-L587 HydrophobicContact CZ3-CD2 4.38Å; W583-L587 HydrophobicContact CZ3-CG 4.44Å; W583-L587 VanDerWaalsContact NE1-CD1 3.33Å; W583-L587 WeakPolarHBondContact O-CB 3.33Å; W583-L587 WeakPolarHBondContact O-CG 3.41Å; W583-L587 PolarHBondContact O-N 3.02Å
584	E	65	Low	56.3	Low	137 Å²	137	92 Å²	92	64%	0.64	46%	0.463	S	S	*	.	H	α-helix	trans	-69.7	-40.5	-179.1	-63.3	-168.8	167.5	0	0	111.5	N582 A588	N582-E584 VanDerWaalsContact C-N 3.29Å; N582-E584 PolarHBondContact O-N 3.41Å; N582-E584 PolarHBondContact OD1-N 3.46Å; E584-A588 WeakPolarHBondContact O-CB 3.2Å; E584-A588 PolarHBondContact O-N 2.97Å
585	L	60.2	Low	55.3	Low	73 Å²	73	97.3 Å²	97.3	38%	0.382	49%	0.488	S	S	.	.	H	α-helix	trans	-68.3	-39.7	174.9	-68.9	177.4	0	0	0	112.1	E577 V579 N582 A588 Y589	E577-L585 VanDerWaalsContact O-CD1 3.28Å; E577-L585 WeakPolarHBondContact O-CD1 3.18Å; V579-L585 HydrophobicContact CB-CB 4.37Å; V579-L585 HydrophobicContact CG1-CB 4.43Å; V579-L585 HydrophobicContact CG2-CB 4.23Å; V579-L585 HydrophobicContact CG2-CD1 4.44Å; N582-L585 HydrophobicContact CB-CB 4.05Å; N582-L585 HydrophobicContact CB-CD1 3.94Å; N582-L585 HydrophobicContact CB-CG 4.09Å; N582-L585 PolarHBondContact O-N 3.02Å; N582-L585 PolarHBondContact OD1-N 2.67Å; L585-A588 PolarHBondContact O-N 3.4Å; L585-Y589 PolarHBondContact O-N 3.31Å
586	F	60.6	Low	54.1	Low	74 Å²	74	104.3 Å²	104.3	33%	0.325	51%	0.508	S	S	.	.	H	α-helix	trans	-59.9	-47	176.5	-178	-100.6	0	0	0	111.5	V579 N582 W583 Y589 N590	V579-F586 WeakPolarHBondContact O-CA 3.15Å; V579-F586 WeakPolarHBondContact O-CB 3.37Å; V579-F586 PolarHBondContact O-N 3.23Å; N582-F586 WeakPolarHBondContact O-CB 3.45Å; N582-F586 PolarHBondContact O-N 3.48Å; W583-F586 HydrophobicContact CZ3-CD1 4.43Å; W583-F586 PolarHBondContact O-N 3.1Å; F586-Y589 PolarHBondContact O-N 2.83Å; F586-N590 WeakPolarHBondContact CE1-ND2 3.38Å; F586-N590 VanDerWaalsContact CE2-ND2 3.3Å; F586-N590 WeakPolarHBondContact CE2-ND2 3.42Å; F586-N590 WeakPolarHBondContact CZ-ND2 3.18Å; F586-N590 PolarHBondContact O-N 3.38Å; F586-N590 VanDerWaalsContact O-N 3.08Å
587	L	64.5	Low	53	Low	77 Å²	77	110.2 Å²	110.2	40%	0.403	54%	0.542	S	S	.	.	H	α-helix	trans	-64.2	-41.4	176.1	-76.4	178.4	0	0	0	112.2	W583 Y589 N590 N591	W583-L587 HydrophobicContact CD2-CD1 4.05Å; W583-L587 HydrophobicContact CD2-CG 4.15Å; W583-L587 HydrophobicContact CE3-CG 4.41Å; W583-L587 HydrophobicContact CG-CD1 4.43Å; W583-L587 HydrophobicContact CH2-CD1 4.34Å; W583-L587 HydrophobicContact CH2-CD2 3.92Å; W583-L587 HydrophobicContact CH2-CG 4.21Å; W583-L587 HydrophobicContact CZ2-CD1 3.56Å; W583-L587 HydrophobicContact CZ2-CD2 3.94Å; W583-L587 HydrophobicContact CZ2-CG 3.92Å; W583-L587 HydrophobicContact CZ3-CD2 4.38Å; W583-L587 HydrophobicContact CZ3-CG 4.44Å; W583-L587 VanDerWaalsContact NE1-CD1 3.33Å; W583-L587 WeakPolarHBondContact O-CB 3.33Å; W583-L587 WeakPolarHBondContact O-CG 3.41Å; W583-L587 PolarHBondContact O-N 3.02Å; L587-Y589 PolarHBondContact O-N 3.19Å; L587-N590 PolarHBondContact O-N 3.18Å; L587-N591 PolarHBondContact O-N 3.29Å; L587-N591 VanDerWaalsContact O-N 3.1Å
588	A	63.1	Low	51.6	Low	71 Å²	71	109.4 Å²	109.4	59%	0.587	54%	0.543	S	S	*	.	H	α-helix	trans	-60.5	-34.1	177.3	0	0	0	0	0	112.1	E584 L585	E584-A588 WeakPolarHBondContact O-CB 3.2Å; E584-A588 PolarHBondContact O-N 2.97Å; L585-A588 PolarHBondContact O-N 3.4Å
589	Y	60.6	Low	50.3	Low	171 Å²	171	116.9 Å²	116.9	67%	0.671	57%	0.574	S	S	*	*	H	α-helix	trans	-75.4	-36.8	176.6	-163	-91.4	0	0	0	113	V579 L585 F586 L587	V579-Y589 HydrophobicContact CG1-CG 4.47Å; L585-Y589 PolarHBondContact O-N 3.31Å; F586-Y589 PolarHBondContact O-N 2.83Å; L587-Y589 PolarHBondContact O-N 3.19Å
590	N	54.6	Low	49.1	Very low	90 Å²	90	117.1 Å²	117.1	48%	0.481	59%	0.587	S	S	.	*	H	α-helix	trans	-91.7	-5.3	-172.9	-81.6	-29.6	0	0	0	115.7	F586 L587 P592	F586-N590 WeakPolarHBondContact CE1-ND2 3.38Å; F586-N590 VanDerWaalsContact CE2-ND2 3.3Å; F586-N590 WeakPolarHBondContact CE2-ND2 3.42Å; F586-N590 WeakPolarHBondContact CZ-ND2 3.18Å; F586-N590 PolarHBondContact O-N 3.38Å; F586-N590 VanDerWaalsContact O-N 3.08Å; L587-N590 PolarHBondContact O-N 3.18Å; N590-P592 WeakPolarHBondContact O-CD 3.29Å
591	N	50	Low	48	Very low	93 Å²	93	118.5 Å²	118.5	50%	0.497	60%	0.597	S	S	.	*			trans	-100.4	94	175.8	-159.9	-18	0	0	0	111.6	L587 S593 R594	L587-N591 PolarHBondContact O-N 3.29Å; L587-N591 VanDerWaalsContact O-N 3.1Å; N591-S593 PolarHBondContact O-N 3.29Å; N591-S593 VanDerWaalsContact O-N 3.15Å; N591-S593 PolarHBondContact OD1-N 2.96Å; N591-R594 PolarHBondContact O-N 2.76Å
592	P	51.2	Low	46.5	Very low	100 Å²	100	124.5 Å²	124.5	65%	0.649	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-67.2	-14.4	-176.9	25.1	-33.3	0	0	0	113.6	N590 R594 Q595	N590-P592 WeakPolarHBondContact O-CD 3.29Å; P592-R594 PolarHBondContact O-N 3.46Å; P592-R594 VanDerWaalsContact O-N 3.13Å; P592-Q595 PolarHBondContact O-N 3.4Å
593	S	45.8	Very low	44.8	Very low	110 Å²	110	131.3 Å²	131.3	77%	0.769	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-68.5	-9.4	179.4	-55.6	0	0	0	0	114.1	N591	N591-S593 PolarHBondContact O-N 3.29Å; N591-S593 VanDerWaalsContact O-N 3.15Å; N591-S593 PolarHBondContact OD1-N 2.96Å
594	R	39.7	Very low	43.3	Very low	232 Å²	232	134.5 Å²	134.5	88%	0.875	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-101.9	1.8	170.7	-80.6	-170	177.4	-164.3	0.7	114.8	N591 P592 R596	N591-R594 PolarHBondContact O-N 2.76Å; P592-R594 PolarHBondContact O-N 3.46Å; P592-R594 VanDerWaalsContact O-N 3.13Å; R594-R596 PolarHBondContact O-N 3.4Å
595	Q	38.7	Very low	41.3	Very low	151 Å²	151	136.6 Å²	136.6	71%	0.706	70%	0.699	S	S	*	*			trans	-97.7	63.8	173	-77.5	-174.6	-11.1	0	0	111.7	P592	P592-Q595 PolarHBondContact O-N 3.4Å
596	R	30.6	Very low	39.6	Very low	235 Å²	235	140.6 Å²	140.6	89%	0.887	72%	0.72	S	S	*	*			trans	-125.4	95.2	148.8	-83.7	-166.3	-173	-173.2	3.9	106.8	R594	R594-R596 PolarHBondContact O-N 3.4Å
597	V	33.1	Very low	38	Very low	133 Å²	133	141.6 Å²	141.6	81%	0.806	74%	0.736	S	S	*	*	S	Bend	trans	-173.1	137.2	136.4	170.7	0	0	0	0	106.8
598	D	30.9	Very low	36.1	Very low	149 Å²	149	147.4 Å²	147.4	80%	0.797	76%	0.761	S	S	*	*			trans	79.7	64.6	170.7	-75.1	-7.1	0	0	0	119.3
599	Q	26.7	Very low	34.6	Very low	203 Å²	203	149.3 Å²	149.3	95%	0.949	77%	0.77	S	S	*	*			trans	-71.9	111.5	134.2	-69.6	-178.8	3.5	0	0	108.3
600	G	26.6	Very low	32.8	Very low	60 Å²	60	148.2 Å²	148.2	62%	0.619	78%	0.775	S	S	*	*			trans	167.2	80.4	170.6	0	0	0	0	0	114.8
601	K	30.2	Very low	31.5	Very low	210 Å²	210	150.3 Å²	150.3	91%	0.913	79%	0.787	S	S	*	*			trans	-173	88.9	137.7	-101.8	156	-173.5	178.4	0	109.5
602	N	25.2	Very low	30.4	Very low	165 Å²	165	153.5 Å²	153.5	88%	0.882	80%	0.799	S	S	*	*			trans	-60.6	139.7	165.4	-101	-41.7	0	0	0	110.2	S604	N602-S604 PolarHBondContact O-N 3.45Å
603	M	22.3	Very low	29.2	Very low	184 Å²	184	153.8 Å²	153.8	91%	0.906	80%	0.803	S	S	*	*			trans	-51.8	125.9	163.7	-82.1	146.4	47.2	0	0	111.1
604	S	29	Very low	28.4	Very low	106 Å²	106	158.7 Å²	158.7	74%	0.741	81%	0.81	S	S	*	*			trans	-141.9	114.6	154	56.5	0	0	0	0	109.3	N602	N602-S604 PolarHBondContact O-N 3.45Å
605	H	23.1	Very low	27.8	Very low	182 Å²	182	152.7 Å²	152.7	84%	0.843	80%	0.804	S	S	*	*			trans	-36	139.2	159.3	-81.1	-110.9	0	0	0	112.4
606	I	26.1	Very low	27	Very low	157 Å²	157	150.7 Å²	150.7	81%	0.805	81%	0.807	S	S	*	*			trans	-159	114.4	147.3	-97.7	146.6	0	0	0	108.8
607	S	27	Very low	27.1	Very low	95 Å²	95	145 Å²	145	66%	0.664	80%	0.8	S	S	*	*			trans	44.3	116	146.7	62.4	0	0	0	0	121.4
608	E	22.8	Very low	26.6	Very low	198 Å²	198	144.3 Å²	144.3	93%	0.925	80%	0.796	S	S	*	*			trans	-36	125.9	139.8	-63	165.9	155.6	0	0	112.4
609	S	31.4	Very low	26.4	Very low	112 Å²	112	147.7 Å²	147.7	78%	0.783	80%	0.799	S	S	*	*			trans	-138.3	126.1	158.5	62.2	0	0	0	0	109.5
610	N	23.8	Very low	26.1	Very low	147 Å²	147	144 Å²	144	79%	0.786	79%	0.79	S	S	*	*			trans	-57.1	165.9	-177.1	-69.3	-42.8	0	0	0	115.1
611	N	27.4	Very low	26.2	Very low	134 Å²	134	147.3 Å²	147.3	72%	0.717	80%	0.799	S	S	*	*			trans	100.1	123.7	140.3	-78.1	-4.2	0	0	0	119.7
612	E	27.2	Very low	26	Very low	160 Å²	160	144.6 Å²	144.6	75%	0.748	79%	0.794	S	S	*	*			trans	89.4	97.4	138.3	-72	172.3	-171.9	0	0	119
613	S	25.4	Very low	25.8	Very low	106 Å²	106	144.9 Å²	144.9	74%	0.741	79%	0.79	S	S	*	*				47.7	104.4	108.7	-47	0	0	0	0	116.6
614	K	30.1	Very low	26	Very low	213 Å²	213	142.7 Å²	142.7	93%	0.926	78%	0.782	S	S	*	*				-167	139.5	124.3	-103.9	156.7	-171.3	178.4	0	112.3
615	S	25.5	Very low	25.9	Very low	107 Å²	107	145 Å²	145	75%	0.748	79%	0.786	S	S	*	*			trans	-61.3	152.1	-174.7	46.8	0	0	0	0	115.4
616	S	21.7	Very low	25.9	Very low	109 Å²	109	141.9 Å²	141.9	76%	0.762	79%	0.785	S	S	*	*			trans	-31.3	147.6	165.7	-39.4	0	0	0	0	117.1
617	P	33.9	Very low	26	Very low	114 Å²	114	139.5 Å²	139.5	74%	0.74	78%	0.782	S	S	*	*			trans	-121	127.4	135.2	31.5	-19.2	0	0	0	110.7
618	V	23	Very low	25.7	Very low	119 Å²	119	143.8 Å²	143.8	72%	0.721	79%	0.789	S	S	*	*			trans	-69.1	124.5	170.9	172.8	0	0	0	0	108.6
619	Y	25.8	Very low	26	Very low	221 Å²	221	139.2 Å²	139.2	87%	0.867	78%	0.779	S	S	*	*			trans	-135.3	109.7	159.5	-94.2	-83.3	0	0	0	109.4
620	T	21.6	Very low	25.6	Very low	124 Å²	124	141.9 Å²	141.9	76%	0.761	78%	0.779	S	S	*	*			trans	-92.5	117.1	166.2	41.5	0	0	0	0	108.6
621	V	27	Very low	25.6	Very low	131 Å²	131	140.6 Å²	140.6	79%	0.794	78%	0.777	S	S	*	*			trans	-147.6	106.7	156.2	-175.3	0	0	0	0	110.3
622	N	25.8	Very low	25.4	Very low	153 Å²	153	139.6 Å²	139.6	82%	0.818	78%	0.78	S	S	*	*			trans	32.1	122.5	138	-118.2	14	0	0	0	121.6
623	E	22.2	Very low	25.3	Very low	171 Å²	171	139.7 Å²	139.7	80%	0.799	78%	0.783	S	S	*	*			trans	-61.3	138.2	156	-58.7	176.1	148.2	0	0	111.1
624	N	25.4	Very low	25.3	Very low	138 Å²	138	139.9 Å²	139.9	74%	0.738	78%	0.781	S	S	*	*			trans	156.9	105.8	143.6	-80.9	-21.5	0	0	0	109.7
625	N	28.2	Very low	24.9	Very low	154 Å²	154	137.7 Å²	137.7	82%	0.824	78%	0.78	S	S	*	*				170.5	127.3	117.8	-87.2	-23.3	0	0	0	111.6
626	S	22.8	Very low	25	Very low	117 Å²	117	136.6 Å²	136.6	82%	0.818	78%	0.777	S	S	*	*			trans	-59.7	129	164.1	50.3	0	0	0	0	112
627	S	27.6	Very low	25.1	Very low	106 Å²	106	137.8 Å²	137.8	74%	0.741	78%	0.78	S	S	*	*			trans	-150.5	105.2	154.9	45.5	0	0	0	0	110.4	S629	S627-S629 PolarHBondContact O-N 2.97Å
628	F	22	Very low	24.8	Very low	186 Å²	186	139.9 Å²	139.9	82%	0.816	78%	0.783	S	S	*	*			trans	-56.2	120.4	170.6	-157.8	-102.5	0	0	0	109.7	Q630	F628-Q630 HydrophobicContact CD1-CG 4.26Å; F628-Q630 HydrophobicContact CE1-CG 3.86Å
629	S	28.1	Very low	24.9	Very low	101 Å²	101	143.3 Å²	143.3	71%	0.706	79%	0.788	S	S	*	*			trans	-125.8	103.8	172.9	-59	0	0	0	0	108.6	S627 T631	S627-S629 PolarHBondContact O-N 2.97Å; S629-T631 PolarHBondContact O-N 3.41Å
630	Q	22.4	Very low	24.8	Very low	168 Å²	168	138.6 Å²	138.6	79%	0.785	78%	0.782	S	S	*	*			trans	-71.6	109.5	168.2	-77.5	173.4	-19	0	0	108.6	F628	F628-Q630 HydrophobicContact CD1-CG 4.26Å; F628-Q630 HydrophobicContact CE1-CG 3.86Å
631	T	25.3	Very low	25.1	Very low	121 Å²	121	139.9 Å²	139.9	74%	0.742	79%	0.785	S	S	*	*			trans	-97.2	101.4	167.5	30.4	0	0	0	0	109.3	S629 M633	S629-T631 PolarHBondContact O-N 3.41Å; T631-M633 PolarHBondContact O-N 2.83Å
632	S	21.5	Very low	25.1	Very low	113 Å²	113	141.7 Å²	141.7	79%	0.79	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-60.2	123.8	165.5	50.4	0	0	0	0	110.3
633	M	25.4	Very low	25.3	Very low	162 Å²	162	139.5 Å²	139.5	80%	0.798	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-99.7	149.1	170.4	-80.2	-71.1	123.7	0	0	110.8	T631	T631-M633 PolarHBondContact O-N 2.83Å
634	P	25.8	Very low	25.8	Very low	110 Å²	110	138.8 Å²	138.8	71%	0.714	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-89.9	147.6	-149.9	34.2	-34.5	0	0	0	114.3	A636	P634-A636 PolarHBondContact O-N 3.4Å
635	N	22.8	Very low	26.1	Very low	167 Å²	167	139.1 Å²	139.1	89%	0.893	78%	0.783	S	S	*	*			trans	-58.7	107.8	166.4	-78.4	-27.8	0	0	0	110.9
636	A	27.5	Very low	26.3	Very low	84 Å²	84	137.4 Å²	137.4	69%	0.694	78%	0.783	S	S	*	*			trans	-109.7	91.7	164.8	0	0	0	0	0	109.2	P634 I638	P634-A636 PolarHBondContact O-N 3.4Å; A636-I638 PolarHBondContact O-N 3.48Å
637	T	22.2	Very low	27.1	Very low	134 Å²	134	141 Å²	141	82%	0.822	78%	0.784	S	S	*	*			trans	-65.5	104.5	169.5	-48.8	0	0	0	0	109
638	I	28.4	Very low	27.4	Very low	157 Å²	157	140.9 Å²	140.9	81%	0.805	78%	0.775	S	S	*	*			trans	-111.2	120.4	170.1	-61.4	-179.7	0	0	0	108.8	A636	A636-I638 PolarHBondContact O-N 3.48Å
639	K	24.3	Very low	28.1	Very low	191 Å²	191	136 Å²	136	83%	0.83	76%	0.757	S	S	*	*			trans	-64.3	147.2	-177.3	-71.8	174.7	173.6	178	0	111.8
640	V	24.8	Very low	28.5	Very low	122 Å²	122	136 Å²	136	74%	0.739	76%	0.757	S	S	*	*			trans	-33.3	125.6	164.1	-175.4	0	0	0	0	112.4	E642	V640-E642 HydrophobicContact CG1-CG 4.16Å
641	N	27.7	Very low	29.2	Very low	152 Å²	152	132 Å²	132	81%	0.813	75%	0.752	S	S	*	*			trans	-138.9	114.9	144.1	-140.3	35.1	0	0	0	108.6
642	E	25.9	Very low	29.6	Very low	168 Å²	168	129.7 Å²	129.7	79%	0.785	74%	0.735	S	S	*	*			trans	-63.1	125.3	176.1	-62	167.9	151.8	0	0	109.2	V640	V640-E642 HydrophobicContact CG1-CG 4.16Å
643	S	30.3	Very low	30.2	Very low	107 Å²	107	127.1 Å²	127.1	75%	0.748	72%	0.715	S	S	*	*			trans	147.3	48.3	157.4	67	0	0	0	0	110.5	D645	S643-D645 PolarHBondContact O-N 3.12Å
644	I	32.7	Very low	30.7	Very low	157 Å²	157	127.5 Å²	127.5	81%	0.805	71%	0.713	S	S	*	*			trans	-85.8	102.4	161.8	-64.1	176.7	0	0	0	104.4	S646	I644-S646 PolarHBondContact O-N 3.4Å
645	D	32.9	Very low	31.3	Very low	145 Å²	145	130.1 Å²	130.1	78%	0.775	72%	0.715	S	S	*	*			trans	-33.4	116.4	170	-77.6	-43.7	0	0	0	108.9	S643 F647	S643-D645 PolarHBondContact O-N 3.12Å; D645-F647 VanDerWaalsContact C-N 3.28Å; D645-F647 PolarHBondContact O-N 3.13Å
646	S	32.5	Very low	32	Very low	117 Å²	117	126.7 Å²	126.7	82%	0.818	70%	0.703	S	S	*	*			trans	-45.3	97.3	175.8	-68.5	0	0	0	0	108.5	I644 N648	I644-S646 PolarHBondContact O-N 3.4Å; S646-N648 VanDerWaalsContact C-N 3.26Å; S646-N648 PolarHBondContact O-N 3.42Å
647	F	37.9	Very low	32.4	Very low	192 Å²	192	127.1 Å²	127.1	84%	0.842	69%	0.693	S	S	*	*			trans	-62.5	100.5	172.9	-132.4	-91.6	0	0	0	104.2	D645 I649	D645-F647 VanDerWaalsContact C-N 3.28Å; D645-F647 PolarHBondContact O-N 3.13Å; F647-I649 PolarHBondContact O-N 2.96Å
648	N	34.9	Very low	33.1	Very low	104 Å²	104	126.1 Å²	126.1	56%	0.556	68%	0.682	S	S	*	*			trans	-68.5	99	-167.3	-163.4	-11	0	0	0	106.7	S646 S650 A651	S646-N648 VanDerWaalsContact C-N 3.26Å; S646-N648 PolarHBondContact O-N 3.42Å; N648-S650 PolarHBondContact O-N 2.71Å; N648-S650 WeakPolarHBondContact OD1-CB 3.19Å; N648-S650 PolarHBondContact OD1-N 3.18Å; N648-S650 PolarHBondContact OD1-OG 3.43Å; N648-A651 VanDerWaalsContact O-CB 3.22Å; N648-A651 WeakPolarHBondContact O-CB 3.37Å; N648-A651 PolarHBondContact O-N 3.04Å
649	I	35.8	Very low	33.7	Very low	85 Å²	85	121.9 Å²	121.9	44%	0.436	66%	0.663	S	S	.	*	G	3₁₀ helix	trans	-55.8	-21.3	178.4	-71.1	150.9	0	0	0	110.8	F647 A651 I652	F647-I649 PolarHBondContact O-N 2.96Å; I649-A651 PolarHBondContact O-N 3.43Å; I649-A651 VanDerWaalsContact O-N 3.17Å; I649-I652 PolarHBondContact O-N 2.83Å
650	S	37.3	Very low	34.6	Very low	101 Å²	101	114.6 Å²	114.6	71%	0.706	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-59.4	-19.4	169.7	-36.3	0	0	0	0	114	N648 I652	N648-S650 PolarHBondContact O-N 2.71Å; N648-S650 WeakPolarHBondContact OD1-CB 3.19Å; N648-S650 PolarHBondContact OD1-N 3.18Å; N648-S650 PolarHBondContact OD1-OG 3.43Å; S650-I652 VanDerWaalsContact C-N 3.34Å
651	A	38.1	Very low	35.7	Very low	83 Å²	83	114.1 Å²	114.1	69%	0.686	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-82	-11.8	175.8	0	0	0	0	0	113.1	N648 I649 P653	N648-A651 VanDerWaalsContact O-CB 3.22Å; N648-A651 WeakPolarHBondContact O-CB 3.37Å; N648-A651 PolarHBondContact O-N 3.04Å; I649-A651 PolarHBondContact O-N 3.43Å; I649-A651 VanDerWaalsContact O-N 3.17Å; A651-P653 VanDerWaalsContact O-CD 3.32Å; A651-P653 WeakPolarHBondContact O-CD 3.47Å
652	I	33.1	Very low	36.9	Very low	72 Å²	72	111.1 Å²	111.1	37%	0.369	62%	0.617	S	S	.	*	S	Bend	trans	-85.2	112	168.5	-56.7	174.5	0	0	0	105.9	I649 S650 K654 C656 L657	I649-I652 PolarHBondContact O-N 2.83Å; S650-I652 VanDerWaalsContact C-N 3.34Å; I652-K654 PolarHBondContact O-N 3.47Å; I652-C656 HydrophobicContact CG2-CB 3.88Å; I652-L657 HydrophobicContact CB-CD1 4.46Å; I652-L657 HydrophobicContact CG2-CD1 4.1Å; I652-L657 HydrophobicContact CG2-CG 3.95Å
653	P	34.1	Very low	37.8	Very low	59 Å²	59	106.9 Å²	106.9	38%	0.383	60%	0.599	S	S	.	*			trans	-52.6	133.3	176.3	-21.3	32	0	0	0	108.7	A651 E655 C656	A651-P653 VanDerWaalsContact O-CD 3.32Å; A651-P653 WeakPolarHBondContact O-CD 3.47Å; P653-E655 HydrophobicContact CB-CB 4.23Å; P653-E655 HydrophobicContact CB-CG 4.29Å; P653-E655 PolarHBondContact O-N 3.48Å; P653-C656 WeakPolarHBondContact O-CB 3.4Å; P653-C656 PolarHBondContact O-N 3.19Å
654	K	36.6	Very low	38.6	Very low	171 Å²	171	105.4 Å²	105.4	74%	0.743	58%	0.579	S	S	*	*	H	α-helix	trans	-55	-22.1	179.2	-74.4	-176.7	176.5	179.9	0	112.4	I652 C656 L657 I658	I652-K654 PolarHBondContact O-N 3.47Å; K654-C656 PolarHBondContact O-N 3.22Å; K654-L657 PolarHBondContact O-N 3.32Å; K654-I658 PolarHBondContact O-N 2.78Å
655	E	37.2	Very low	39.6	Very low	165 Å²	165	103.5 Å²	103.5	77%	0.771	57%	0.566	S	S	*	*	H	α-helix	trans	-56.2	-30.8	170.9	-52.3	154.8	-128.8	0	0	113.4	P653	P653-E655 HydrophobicContact CB-CB 4.23Å; P653-E655 HydrophobicContact CB-CG 4.29Å; P653-E655 PolarHBondContact O-N 3.48Å
656	C	38.1	Very low	40.4	Very low	94 Å²	94	105.5 Å²	105.5	64%	0.635	56%	0.563	S	S	*	*	H	α-helix	trans	-86.5	-20.8	-179.2	-63.2	0	0	0	0	113.6	I652 P653 K654	I652-C656 HydrophobicContact CG2-CB 3.88Å; P653-C656 WeakPolarHBondContact O-CB 3.4Å; P653-C656 PolarHBondContact O-N 3.19Å; K654-C656 PolarHBondContact O-N 3.22Å
657	L	36	Very low	41	Very low	93 Å²	93	104.2 Å²	104.2	49%	0.487	55%	0.546	S	S	.	.	H	α-helix	trans	-99.5	-20.4	-177.3	-71.6	171.7	0	0	0	113.3	I652 K654	I652-L657 HydrophobicContact CB-CD1 4.46Å; I652-L657 HydrophobicContact CG2-CD1 4.1Å; I652-L657 HydrophobicContact CG2-CG 3.95Å; K654-L657 PolarHBondContact O-N 3.32Å
658	I	36.6	Very low	41.9	Very low	114 Å²	114	102.1 Å²	102.1	59%	0.585	53%	0.533	S	S	*	.	S	Bend	trans	-100.4	102.7	175.3	-58.8	174.3	0	0	0	106.8	K654 S660	K654-I658 PolarHBondContact O-N 2.78Å; I658-S660 VanDerWaalsContact C-N 3.31Å; I658-S660 PolarHBondContact O-N 3.04Å
659	V	41.2	Very low	43	Very low	67 Å²	67	100.2 Å²	100.2	41%	0.406	53%	0.528	S	S	.	.			trans	-55.3	103.7	163.5	-178.7	0	0	0	0	106.2	I663 K664	V659-I663 HydrophobicContact CG1-CB 3.65Å; V659-I663 HydrophobicContact CG1-CG2 3.49Å; V659-I663 VanDerWaalsContact CG1-CG2 3.49Å; V659-K664 HydrophobicContact CB-CG 4.48Å; V659-K664 HydrophobicContact CG1-CG 3.91Å; V659-K664 WeakPolarHBondContact O-CE 3.29Å
660	S	42	Very low	43.6	Very low	39 Å²	39	98.1 Å²	98.1	27%	0.273	52%	0.523	S	S	.	.			trans	-54.4	150.5	-174.3	72.6	0	0	0	0	109.8	I658 T662 I663 K664	I658-S660 VanDerWaalsContact C-N 3.31Å; I658-S660 PolarHBondContact O-N 3.04Å; S660-T662 WeakPolarHBondContact CB-OG1 3.16Å; S660-T662 PolarHBondContact O-N 3.06Å; S660-T662 PolarHBondContact OG-OG1 3.25Å; S660-I663 WeakPolarHBondContact O-CA 2.95Å; S660-I663 PolarHBondContact O-N 3.27Å; S660-I663 WeakPolarHBondContact OG-CG1 3.32Å; S660-I663 PolarHBondContact OG-N 3.19Å; S660-I663 VanDerWaalsContact OG-N 3.16Å; S660-K664 PolarHBondContact O-N 2.83Å
661	D	49.6	Very low	44.3	Very low	111 Å²	111	98.3 Å²	98.3	59%	0.594	52%	0.516	S	S	*	.	H	α-helix	trans	-57.3	-27.4	177	-82.6	-40.2	0	0	0	112	K664 Q665	D661-K664 PolarHBondContact O-N 3.34Å; D661-Q665 WeakPolarHBondContact O-CB 3.25Å; D661-Q665 PolarHBondContact O-N 3.41Å
662	T	51.8	Low	45.3	Very low	89 Å²	89	97.9 Å²	97.9	55%	0.546	51%	0.505	S	S	.	.	H	α-helix	trans	-64	-40.3	170.2	29.6	0	0	0	0	113.4	S660 R666	S660-T662 WeakPolarHBondContact CB-OG1 3.16Å; S660-T662 PolarHBondContact O-N 3.06Å; S660-T662 PolarHBondContact OG-OG1 3.25Å; T662-R666 WeakPolarHBondContact O-CB 3.5Å; T662-R666 WeakPolarHBondContact O-CG 3.37Å; T662-R666 PolarHBondContact O-N 3.32Å
663	I	45.9	Very low	46.2	Very low	79 Å²	79	99.2 Å²	99.2	41%	0.405	51%	0.512	S	S	.	.	H	α-helix	trans	-72.3	-40.4	174.4	-63.5	166.7	0	0	0	110.4	V659 S660 Q665 R666 L667	V659-I663 HydrophobicContact CG1-CB 3.65Å; V659-I663 HydrophobicContact CG1-CG2 3.49Å; V659-I663 VanDerWaalsContact CG1-CG2 3.49Å; S660-I663 WeakPolarHBondContact O-CA 2.95Å; S660-I663 PolarHBondContact O-N 3.27Å; S660-I663 WeakPolarHBondContact OG-CG1 3.32Å; S660-I663 PolarHBondContact OG-N 3.19Å; S660-I663 VanDerWaalsContact OG-N 3.16Å; I663-Q665 VanDerWaalsContact C-N 3.31Å; I663-Q665 PolarHBondContact O-N 3.2Å; I663-R666 PolarHBondContact O-N 2.62Å; I663-R666 VanDerWaalsContact O-N 3.16Å; I663-L667 HydrophobicContact CG2-CD1 4.13Å; I663-L667 HydrophobicContact CG2-CG 4.36Å; I663-L667 WeakPolarHBondContact O-CB 3.3Å; I663-L667 WeakPolarHBondContact O-CG 3.46Å; I663-L667 PolarHBondContact O-N 2.96Å
664	K	47.4	Very low	46.9	Very low	77 Å²	77	98.4 Å²	98.4	34%	0.335	51%	0.506	S	S	.	.	H	α-helix	trans	-59.3	-42.7	173.1	-69.7	-177.3	-174.2	170.3	0	111.4	V659 S660 D661 L667 R668	V659-K664 HydrophobicContact CB-CG 4.48Å; V659-K664 HydrophobicContact CG1-CG 3.91Å; V659-K664 WeakPolarHBondContact O-CE 3.29Å; S660-K664 PolarHBondContact O-N 2.83Å; D661-K664 PolarHBondContact O-N 3.34Å; K664-L667 PolarHBondContact O-N 2.66Å; K664-R668 WeakPolarHBondContact O-CB 3.34Å; K664-R668 WeakPolarHBondContact O-CG 3.37Å; K664-R668 PolarHBondContact O-N 3.18Å
665	Q	53	Low	47.6	Very low	116 Å²	116	92.3 Å²	92.3	54%	0.542	49%	0.488	S	S	.	.	H	α-helix	trans	-63	-45.7	173.3	-101.7	171.4	-30.4	0	0	111.3	D661 I663 L667 R668 S669	D661-Q665 WeakPolarHBondContact O-CB 3.25Å; D661-Q665 PolarHBondContact O-N 3.41Å; I663-Q665 VanDerWaalsContact C-N 3.31Å; I663-Q665 PolarHBondContact O-N 3.2Å; Q665-L667 VanDerWaalsContact C-N 3.3Å; Q665-L667 PolarHBondContact O-N 2.68Å; Q665-R668 PolarHBondContact O-N 2.95Å; Q665-S669 WeakPolarHBondContact O-CB 3.26Å; Q665-S669 PolarHBondContact O-N 3.45Å; Q665-S669 PolarHBondContact O-OG 3.49Å
666	R	49.1	Very low	48.4	Very low	188 Å²	188	90.1 Å²	90.1	71%	0.709	48%	0.477	S	S	*	.	H	α-helix	trans	-58.8	-41.2	175.6	-79.1	179.9	-173.6	-179.3	3.3	112.4	T662 I663 S669 A670	T662-R666 WeakPolarHBondContact O-CB 3.5Å; T662-R666 WeakPolarHBondContact O-CG 3.37Å; T662-R666 PolarHBondContact O-N 3.32Å; I663-R666 PolarHBondContact O-N 2.62Å; I663-R666 VanDerWaalsContact O-N 3.16Å; R666-S669 PolarHBondContact O-N 3.16Å; R666-A670 VanDerWaalsContact O-CB 3.23Å; R666-A670 WeakPolarHBondContact O-CB 3.41Å; R666-A670 PolarHBondContact O-N 3.5Å
667	L	45.6	Very low	48.8	Very low	89 Å²	89	90.6 Å²	90.6	47%	0.466	47%	0.473	S	S	.	.	H	α-helix	trans	-67	-43.7	176.3	-73.1	171.5	0	0	0	111.6	I663 K664 Q665 A670 L671	I663-L667 HydrophobicContact CG2-CD1 4.13Å; I663-L667 HydrophobicContact CG2-CG 4.36Å; I663-L667 WeakPolarHBondContact O-CB 3.3Å; I663-L667 WeakPolarHBondContact O-CG 3.46Å; I663-L667 PolarHBondContact O-N 2.96Å; K664-L667 PolarHBondContact O-N 2.66Å; Q665-L667 VanDerWaalsContact C-N 3.3Å; Q665-L667 PolarHBondContact O-N 2.68Å; L667-A670 PolarHBondContact O-N 2.74Å; L667-L671 WeakPolarHBondContact O-CB 3.42Å; L667-L671 PolarHBondContact O-N 3.5Å
668	R	57.4	Low	49.1	Very low	148 Å²	148	89.2 Å²	89.2	56%	0.558	47%	0.471	S	S	*	.	H	α-helix	trans	-58.9	-50.9	173.1	-73.3	-177.9	-157.5	124.4	-0.4	110.6	K664 Q665 A670 L671 T672	K664-R668 WeakPolarHBondContact O-CB 3.34Å; K664-R668 WeakPolarHBondContact O-CG 3.37Å; K664-R668 PolarHBondContact O-N 3.18Å; Q665-R668 PolarHBondContact O-N 2.95Å; R668-A670 PolarHBondContact O-N 2.91Å; R668-L671 CarbonylContact O-C 3.56Å; R668-L671 WeakPolarHBondContact O-CA 3.43Å; R668-L671 VanDerWaalsContact O-CB 3.31Å; R668-L671 WeakPolarHBondContact O-CB 3.33Å; R668-L671 PolarHBondContact O-N 3.49Å; R668-T672 PolarHBondContact O-N 2.92Å; R668-T672 PolarHBondContact O-OG1 3.4Å
669	S	57	Low	49.5	Very low	65 Å²	65	88.4 Å²	88.4	46%	0.455	47%	0.468	S	S	.	.	H	α-helix	trans	-59.9	-41.9	178.3	-62	0	0	0	0	112.6	Q665 R666 L671 T672 L673	Q665-S669 WeakPolarHBondContact O-CB 3.26Å; Q665-S669 PolarHBondContact O-N 3.45Å; Q665-S669 PolarHBondContact O-OG 3.49Å; R666-S669 PolarHBondContact O-N 3.16Å; S669-L671 VanDerWaalsContact C-N 3.3Å; S669-L671 PolarHBondContact O-N 2.87Å; S669-T672 WeakPolarHBondContact CA-OG1 3.41Å; S669-T672 PolarHBondContact O-N 3.14Å; S669-T672 PolarHBondContact O-OG1 2.9Å; S669-L673 WeakPolarHBondContact O-CB 3.27Å; S669-L673 PolarHBondContact O-N 3.27Å
670	A	48.7	Very low	49.4	Very low	40 Å²	40	91.6 Å²	91.6	33%	0.331	48%	0.48	S	S	.	.	H	α-helix	trans	-63.9	-37.8	174.3	0	0	0	0	0	111.3	R666 L667 R668 L673 V674	R666-A670 VanDerWaalsContact O-CB 3.23Å; R666-A670 WeakPolarHBondContact O-CB 3.41Å; R666-A670 PolarHBondContact O-N 3.5Å; L667-A670 PolarHBondContact O-N 2.74Å; R668-A670 PolarHBondContact O-N 2.91Å; A670-L673 PolarHBondContact O-N 2.99Å; A670-V674 VanDerWaalsContact O-CG2 3.25Å; A670-V674 WeakPolarHBondContact O-CG2 3.14Å; A670-V674 PolarHBondContact O-N 3.06Å
671	L	52.3	Low	49	Very low	105 Å²	105	100 Å²	100	55%	0.55	51%	0.506	S	S	.	.	H	α-helix	trans	-67.9	-41.9	175.6	-151.6	85.9	0	0	0	111.8	L667 R668 S669 L673 V674 A675	L667-L671 WeakPolarHBondContact O-CB 3.42Å; L667-L671 PolarHBondContact O-N 3.5Å; R668-L671 CarbonylContact O-C 3.56Å; R668-L671 WeakPolarHBondContact O-CA 3.43Å; R668-L671 VanDerWaalsContact O-CB 3.31Å; R668-L671 WeakPolarHBondContact O-CB 3.33Å; R668-L671 PolarHBondContact O-N 3.49Å; S669-L671 VanDerWaalsContact C-N 3.3Å; S669-L671 PolarHBondContact O-N 2.87Å; L671-L673 VanDerWaalsContact C-N 3.35Å; L671-V674 PolarHBondContact O-N 2.65Å; L671-A675 VanDerWaalsContact O-CB 3.3Å; L671-A675 WeakPolarHBondContact O-CB 3.13Å; L671-A675 PolarHBondContact O-N 3.23Å
672	T	59	Low	48.4	Very low	74 Å²	74	104 Å²	104	45%	0.454	51%	0.513	S	S	.	.	H	α-helix	trans	-61.7	-45	174.8	-9.6	0	0	0	0	110.5	R668 S669 V674 A675 E676	R668-T672 PolarHBondContact O-N 2.92Å; R668-T672 PolarHBondContact O-OG1 3.4Å; S669-T672 WeakPolarHBondContact CA-OG1 3.41Å; S669-T672 PolarHBondContact O-N 3.14Å; S669-T672 PolarHBondContact O-OG1 2.9Å; T672-V674 VanDerWaalsContact C-N 3.34Å; T672-V674 PolarHBondContact O-N 3.33Å; T672-A675 PolarHBondContact O-N 3.04Å; T672-E676 WeakPolarHBondContact O-CB 3.41Å; T672-E676 VanDerWaalsContact O-CG 3.32Å; T672-E676 WeakPolarHBondContact O-CG 3.46Å; T672-E676 PolarHBondContact O-N 2.78Å
673	L	52.6	Low	47.7	Very low	101 Å²	101	103.5 Å²	103.5	53%	0.529	52%	0.518	S	S	.	.	H	α-helix	trans	-59.5	-41.8	175.8	-86.1	160	0	0	0	112.5	S669 A670 L671 N677	S669-L673 WeakPolarHBondContact O-CB 3.27Å; S669-L673 PolarHBondContact O-N 3.27Å; A670-L673 PolarHBondContact O-N 2.99Å; L671-L673 VanDerWaalsContact C-N 3.35Å; L673-N677 VanDerWaalsContact O-CB 3.29Å; L673-N677 WeakPolarHBondContact O-CB 3.43Å; L673-N677 PolarHBondContact O-N 3.36Å
674	V	48.3	Very low	47.2	Very low	41 Å²	41	106.4 Å²	106.4	25%	0.248	53%	0.534	C	S	.	.	H	α-helix	trans	-69.4	-39.3	176.8	172.4	0	0	0	0	111.4	A670 L671 T672 C678	A670-V674 VanDerWaalsContact O-CG2 3.25Å; A670-V674 WeakPolarHBondContact O-CG2 3.14Å; A670-V674 PolarHBondContact O-N 3.06Å; L671-V674 PolarHBondContact O-N 2.65Å; T672-V674 VanDerWaalsContact C-N 3.34Å; T672-V674 PolarHBondContact O-N 3.33Å; V674-C678 WeakPolarHBondContact O-CB 3.47Å; V674-C678 PolarHBondContact O-N 3.03Å; V674-C678 PolarHBondContact O-SG 3.49Å
675	A	51.2	Low	46.3	Very low	44 Å²	44	111.7 Å²	111.7	36%	0.364	56%	0.557	S	S	.	*	H	α-helix	trans	-68.1	-42.7	177.9	0	0	0	0	0	111.9	L671 T672 C678 N679	L671-A675 VanDerWaalsContact O-CB 3.3Å; L671-A675 WeakPolarHBondContact O-CB 3.13Å; L671-A675 PolarHBondContact O-N 3.23Å; T672-A675 PolarHBondContact O-N 3.04Å; A675-C678 PolarHBondContact O-N 2.88Å; A675-N679 WeakPolarHBondContact O-CB 3.28Å; A675-N679 VanDerWaalsContact O-CG 3.25Å; A675-N679 PolarHBondContact O-N 3.35Å; A675-N679 PolarHBondContact O-ND2 3.31Å
676	E	53.4	Low	45.3	Very low	118 Å²	118	114 Å²	114	55%	0.551	57%	0.567	S	S	*	*	H	α-helix	trans	-61.6	-46.3	173.8	-75.6	175.8	178.6	0	0	110.7	T672 C678 N679 M680	T672-E676 WeakPolarHBondContact O-CB 3.41Å; T672-E676 VanDerWaalsContact O-CG 3.32Å; T672-E676 WeakPolarHBondContact O-CG 3.46Å; T672-E676 PolarHBondContact O-N 2.78Å; E676-C678 VanDerWaalsContact C-N 3.28Å; E676-C678 PolarHBondContact O-N 3.27Å; E676-N679 PolarHBondContact O-N 2.85Å; E676-N679 VanDerWaalsContact O-N 3.17Å; E676-M680 PolarHBondContact O-N 3.37Å
677	N	46.6	Very low	44.5	Very low	104 Å²	104	111.1 Å²	111.1	56%	0.556	57%	0.57	S	S	*	*	H	α-helix	trans	-64	-30.4	174.9	-79.2	-5.6	0	0	0	112.9	L673	L673-N677 VanDerWaalsContact O-CB 3.29Å; L673-N677 WeakPolarHBondContact O-CB 3.43Å; L673-N677 PolarHBondContact O-N 3.36Å
678	C	43.6	Very low	43.8	Very low	65 Å²	65	115 Å²	115	44%	0.439	59%	0.586	S	S	.	*	H	α-helix	trans	-75.7	-34.7	173.3	-75.1	0	0	0	0	112.9	V674 A675 E676	V674-C678 WeakPolarHBondContact O-CB 3.47Å; V674-C678 PolarHBondContact O-N 3.03Å; V674-C678 PolarHBondContact O-SG 3.49Å; A675-C678 PolarHBondContact O-N 2.88Å; E676-C678 VanDerWaalsContact C-N 3.28Å; E676-C678 PolarHBondContact O-N 3.27Å
679	N	44.7	Very low	42.3	Very low	96 Å²	96	113.1 Å²	113.1	51%	0.513	60%	0.596	S	S	.	*	H	α-helix	trans	-76.4	-30.4	-177.3	-73.4	-22.3	0	0	0	112.4	A675 E676 W681 R682 A683	A675-N679 WeakPolarHBondContact O-CB 3.28Å; A675-N679 VanDerWaalsContact O-CG 3.25Å; A675-N679 PolarHBondContact O-N 3.35Å; A675-N679 PolarHBondContact O-ND2 3.31Å; E676-N679 PolarHBondContact O-N 2.85Å; E676-N679 VanDerWaalsContact O-N 3.17Å; N679-W681 PolarHBondContact O-N 3.33Å; N679-R682 PolarHBondContact O-N 2.79Å; N679-R682 VanDerWaalsContact O-N 3.11Å; N679-A683 PolarHBondContact O-N 2.82Å
680	M	38.8	Very low	41.2	Very low	134 Å²	134	115.9 Å²	115.9	66%	0.66	61%	0.612	S	S	*	*	H	α-helix	trans	-59.7	-30.2	176.4	-146.1	-176.7	79.4	0	0	112.3	E676	E676-M680 PolarHBondContact O-N 3.37Å
681	W	34.1	Very low	40.3	Very low	215 Å²	215	121.6 Å²	121.6	81%	0.814	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-10.3	179.8	-70.1	72.2	0	0	0	114.5	N679	N679-W681 PolarHBondContact O-N 3.33Å
682	R	35.7	Very low	39.2	Very low	197 Å²	197	125.4 Å²	125.4	74%	0.743	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-20.9	173.1	-73.1	-167.7	-164.1	148.5	4.6	113.3	N679 D684	N679-R682 PolarHBondContact O-N 2.79Å; N679-R682 VanDerWaalsContact O-N 3.11Å; R682-D684 VanDerWaalsContact C-N 3.29Å; R682-D684 PolarHBondContact O-N 3.44Å
683	A	36.9	Very low	37.8	Very low	78 Å²	78	131.5 Å²	131.5	65%	0.645	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-70.7	-22	-175.3	0	0	0	0	0	113.6	N679 K685	N679-A683 PolarHBondContact O-N 2.82Å; A683-K685 VanDerWaalsContact C-N 3.31Å; A683-K685 PolarHBondContact O-N 3.42Å
684	D	35.3	Very low	36.4	Very low	140 Å²	140	138.5 Å²	138.5	75%	0.749	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-82.4	10.4	-173.5	-99	-10.6	0	0	0	116.1	R682	R682-D684 VanDerWaalsContact C-N 3.29Å; R682-D684 PolarHBondContact O-N 3.44Å
685	K	30	Very low	35.4	Very low	187 Å²	187	146.3 Å²	146.3	81%	0.813	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-104.9	7.8	-179.9	-80.2	-163.8	176	-173.7	0	116.9	A683	A683-K685 VanDerWaalsContact C-N 3.31Å; A683-K685 PolarHBondContact O-N 3.42Å
686	H	31.5	Very low	34.1	Very low	165 Å²	165	150.5 Å²	150.5	76%	0.764	74%	0.743	S	S	*	*			trans	-125.3	70.7	173.4	-79.9	-81.3	0	0	0	111.6
687	V	32.5	Very low	32.8	Very low	128 Å²	128	152.4 Å²	152.4	78%	0.776	76%	0.757	S	S	*	*			trans	-100.4	89.2	160.4	-178.4	0	0	0	0	107.1
688	E	29.8	Very low	31.7	Very low	169 Å²	169	155.1 Å²	155.1	79%	0.79	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-73.9	125.2	167.4	-75.9	-176	164	0	0	109.3
689	S	26.7	Very low	31.1	Very low	109 Å²	109	160.4 Å²	160.4	76%	0.762	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-67.7	125.1	-177.1	-49.3	0	0	0	0	111.7	N691	S689-N691 PolarHBondContact O-N 3.45Å
690	P	32.9	Very low	29.9	Very low	123 Å²	123	164.3 Å²	164.3	80%	0.799	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-83.2	118	-179.1	29.6	-29.2	0	0	0	111.3	H692	P690-H692 PolarHBondContact O-N 3.19Å
691	N	30.4	Very low	29.5	Very low	161 Å²	161	165.3 Å²	165.3	86%	0.861	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-67	124.6	176.7	-106	-38.7	0	0	0	112.1	S689 K693	S689-N691 PolarHBondContact O-N 3.45Å; N691-K693 PolarHBondContact O-N 3.19Å
692	H	29.3	Very low	28.9	Very low	185 Å²	185	162.8 Å²	162.8	86%	0.856	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-57.9	117.4	169.5	-75.7	-78	0	0	0	112.1	P690	P690-H692 PolarHBondContact O-N 3.19Å
693	K	29.8	Very low	28.5	Very low	202 Å²	202	157.9 Å²	157.9	88%	0.878	80%	0.796	S	S	*	*			trans	-132.3	100	154.9	-78.4	-171.2	177.9	174.5	0	110.6	N691 K695	N691-K693 PolarHBondContact O-N 3.19Å; K693-K695 PolarHBondContact O-N 3.49Å
694	R	22	Very low	27.9	Very low	248 Å²	248	163 Å²	163	94%	0.936	81%	0.805	S	S	*	*			trans	-52	121.3	161.1	-86.1	174.8	165.8	165.6	-4.7	109.7
695	K	28.7	Very low	27.7	Very low	205 Å²	205	166.2 Å²	166.2	89%	0.891	81%	0.813	S	S	*	*			trans	-138.1	108.9	149.9	-81.8	-168	176.6	-179.7	0	109.1	K693	K693-K695 PolarHBondContact O-N 3.49Å
696	T	23.2	Very low	27.4	Very low	131 Å²	131	162.8 Å²	162.8	80%	0.804	81%	0.812	S	S	*	*			trans	-64	128.5	165.1	47.7	0	0	0	0	109.1
697	N	27	Very low	27.3	Very low	159 Å²	159	163.2 Å²	163.2	85%	0.85	82%	0.82	S	S	*	*			trans	-146.8	106.1	155.1	-107.8	-8	0	0	0	109.4	H699	N697-H699 PolarHBondContact O-N 3.28Å
698	N	22.9	Very low	26.8	Very low	161 Å²	161	161.6 Å²	161.6	86%	0.861	81%	0.814	S	S	*	*			trans	-61.2	121.2	159.8	-84.1	-24.8	0	0	0	108.2
699	H	30.5	Very low	26.7	Very low	175 Å²	175	160.4 Å²	160.4	81%	0.81	81%	0.812	S	S	*	*			trans	-140.7	115.9	151.3	-114.5	-65.3	0	0	0	111.3	N697	N697-H699 PolarHBondContact O-N 3.28Å
700	Y	20.7	Very low	26.7	Very low	179 Å²	179	161.5 Å²	161.5	70%	0.702	81%	0.809	S	S	*	*			trans	-68.9	122.1	172.8	-169.9	-98.3	0	0	0	109.5	K702	Y700-K702 HydrophobicContact CE1-CD 3.94Å; Y700-K702 HydrophobicContact CE1-CG 3.89Å; Y700-K702 VanDerWaalsContact OH-CE 3.28Å; Y700-K702 WeakPolarHBondContact OH-CE 3.02Å
701	I	29.4	Very low	26.2	Very low	155 Å²	155	164.6 Å²	164.6	80%	0.795	81%	0.805	S	S	*	*			trans	-131.1	107	166.6	-62.4	-179.3	0	0	0	108.6
702	K	22.2	Very low	26.1	Very low	161 Å²	161	167.3 Å²	167.3	70%	0.7	81%	0.809	S	S	*	*			trans	-75.9	136.2	159.4	-83.7	173.1	169	168.9	0	108.6	Y700	Y700-K702 HydrophobicContact CE1-CD 3.94Å; Y700-K702 HydrophobicContact CE1-CG 3.89Å; Y700-K702 VanDerWaalsContact OH-CE 3.28Å; Y700-K702 WeakPolarHBondContact OH-CE 3.02Å
703	S	26.6	Very low	25.9	Very low	95 Å²	95	164.5 Å²	164.5	66%	0.664	80%	0.797	S	S	*	*			trans	176	121.1	131.9	53.8	0	0	0	0	112.8
704	H	25.4	Very low	25.7	Very low	184 Å²	184	167 Å²	167	85%	0.852	80%	0.801	S	S	*	*			trans	39.6	117.4	134.1	-63.7	-89.4	0	0	0	119.8
705	K	30.1	Very low	25.9	Very low	209 Å²	209	160.4 Å²	160.4	91%	0.909	79%	0.792	S	S	*	*				-163.5	116.8	118.7	-107.1	167.2	-175.4	-179.9	0	111.4
706	S	23.3	Very low	26.3	Very low	114 Å²	114	156 Å²	156	80%	0.797	79%	0.785	S	S	*	*			trans	-66.8	133	167.6	47.1	0	0	0	0	111.3
707	L	29.6	Very low	26.5	Very low	175 Å²	175	155.8 Å²	155.8	92%	0.916	79%	0.789	S	S	*	*			trans	-129.1	105.6	156.6	-89.8	161.1	0	0	0	108.5
708	S	23.1	Very low	26.4	Very low	93 Å²	93	158.3 Å²	158.3	65%	0.65	79%	0.786	S	S	*	*			trans	-69.1	145.1	162.7	49.8	0	0	0	0	111.2
709	L	26.4	Very low	26.6	Very low	144 Å²	144	156.5 Å²	156.5	75%	0.754	79%	0.786	S	S	*	*				-179.9	134	122.2	-119.3	79.3	0	0	0	112.7
710	N	27.8	Very low	26.4	Very low	133 Å²	133	154.8 Å²	154.8	71%	0.711	78%	0.778	S	S	*	*			trans	58.2	105.4	146.4	-62.3	-11.5	0	0	0	119.6
711	R	22.9	Very low	26.6	Very low	188 Å²	188	152.6 Å²	152.6	71%	0.709	79%	0.788	S	S	*	*				65	96.1	61.8	-158.4	-177.3	-154.1	170.8	5.2	112.6	E713	R711-E713 HydrophobicContact CG-CG 4.09Å; R711-E713 IonicContact CZ-OE1 3.47Å; R711-E713 IonicContact NE-OE1 2.8Å; R711-E713 PolarHBondContact NE-OE1 2.9Å; R711-E713 IonicContact NH2-OE1 2.79Å; R711-E713 PolarHBondContact NH2-OE1 2.91Å
712	F	28.1	Very low	26.3	Very low	217 Å²	217	150 Å²	150	95%	0.952	78%	0.784	S	S	*	*			trans	-130.6	113.2	139.8	-105.4	-83.2	0	0	0	108.7
713	E	23.8	Very low	26.5	Very low	126 Å²	126	147.6 Å²	147.6	59%	0.589	79%	0.787	S	S	*	*			trans	-82.3	139.6	175	-65.6	178.1	173.5	0	0	109.5	R711	R711-E713 HydrophobicContact CG-CG 4.09Å; R711-E713 IonicContact CZ-OE1 3.47Å; R711-E713 IonicContact NE-OE1 2.8Å; R711-E713 PolarHBondContact NE-OE1 2.9Å; R711-E713 IonicContact NH2-OE1 2.79Å; R711-E713 PolarHBondContact NH2-OE1 2.91Å
714	R	25.9	Very low	26.4	Very low	255 Å²	255	149 Å²	149	96%	0.962	79%	0.793	S	S	*	*			trans	-160.3	106.6	141.1	-107.8	174.5	-168.6	-161.7	3.4	109.3
715	S	26.1	Very low	26.5	Very low	109 Å²	109	147.8 Å²	147.8	76%	0.762	79%	0.792	S	S	*	*			trans	-121.8	-179.8	159.5	50.1	0	0	0	0	106.1
716	P	37.7	Very low	26.3	Very low	114 Å²	114	143.5 Å²	143.5	74%	0.74	78%	0.784	S	S	*	*			cis	-130.4	170.8	-30.2	29.3	-10.1	0	0	0	112.1
717	S	27.1	Very low	26.5	Very low	125 Å²	125	143.5 Å²	143.5	87%	0.874	78%	0.784	S	S	*	*			trans	-132	100.3	152.7	59.3	0	0	0	0	110.2
718	R	24.8	Very low	26.3	Very low	212 Å²	212	140.5 Å²	140.5	80%	0.8	78%	0.778	S	S	*	*			trans	-68.8	131.6	164.8	-96.5	169.5	160.6	172.4	-4.2	109.3
719	S	28.3	Very low	26.6	Very low	123 Å²	123	142.4 Å²	142.4	86%	0.86	79%	0.786	S	S	*	*			trans	-131.5	123.4	143.1	53.6	0	0	0	0	108.5
720	H	25.2	Very low	26.6	Very low	139 Å²	139	144.7 Å²	144.7	64%	0.644	79%	0.789	S	S	*	*			trans	-85.4	136.1	-179.7	-74.9	-92.3	0	0	0	109.1
721	C	24.5	Very low	26.7	Very low	134 Å²	134	145.9 Å²	145.9	91%	0.905	79%	0.794	S	S	*	*			trans	-141.1	106	146.7	-117.4	0	0	0	0	109
722	S	23.9	Very low	26.9	Very low	101 Å²	101	143.8 Å²	143.8	71%	0.706	80%	0.797	S	S	*	*			trans	-44.8	150.7	153.6	-30.1	0	0	0	0	110.4
723	S	25.5	Very low	26.9	Very low	110 Å²	110	143.1 Å²	143.1	77%	0.769	79%	0.794	S	S	*	*			cis	-167.3	162.1	35	-62.4	0	0	0	0	109.6
724	P	25.2	Very low	27.2	Very low	123 Å²	123	143 Å²	143	80%	0.799	80%	0.804	S	S	*	*			trans	-96.5	144.1	179.5	35.7	-29.5	0	0	0	112.9
725	L	28.2	Very low	27.4	Very low	159 Å²	159	135.5 Å²	135.5	83%	0.832	79%	0.791	S	S	*	*			trans	-139.6	116	163.8	-84.2	169.8	0	0	0	110.6
726	T	25	Very low	27.4	Very low	119 Å²	119	139.4 Å²	139.4	73%	0.73	80%	0.797	S	S	*	*			trans	39.6	116.7	137.1	65.4	0	0	0	0	117.3
727	S	27.9	Very low	27.2	Very low	115 Å²	115	140.3 Å²	140.3	80%	0.804	80%	0.795	S	S	*	*				-174.7	137.3	76.8	39.4	0	0	0	0	110.5
728	S	24.6	Very low	27.4	Very low	112 Å²	112	141.6 Å²	141.6	78%	0.783	79%	0.792	S	S	*	*			trans	-77.8	122.4	179.8	-55.3	0	0	0	0	111.1
729	T	29.3	Very low	27.5	Very low	132 Å²	132	140 Å²	140	81%	0.81	80%	0.797	S	S	*	*			trans	-120.5	86.8	153.7	37.8	0	0	0	0	108	I731	T729-I731 PolarHBondContact O-N 3.19Å; T729-I731 VanDerWaalsContact O-N 3.17Å
730	K	25.7	Very low	27.7	Very low	192 Å²	192	139.6 Å²	139.6	84%	0.835	79%	0.791	S	S	*	*			trans	-68.5	102.5	166.7	-79.1	-179.4	174.6	179.6	0	107.8
731	I	30.4	Very low	27.8	Very low	159 Å²	159	140.4 Å²	140.4	82%	0.815	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-93.4	116.5	162.4	-65.2	176.1	0	0	0	106.5	T729 K733	T729-I731 PolarHBondContact O-N 3.19Å; T729-I731 VanDerWaalsContact O-N 3.17Å; I731-K733 PolarHBondContact O-N 2.91Å
732	N	28.7	Very low	27.9	Very low	143 Å²	143	139.7 Å²	139.7	77%	0.765	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-61	126.8	-177.1	-74.1	-36.2	0	0	0	111.1
733	K	26.6	Very low	28	Very low	203 Å²	203	143.1 Å²	143.1	88%	0.883	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-66.5	126.5	158.5	-106.9	178.9	173.7	-177.6	0	108.1	I731	I731-K733 PolarHBondContact O-N 2.91Å
734	P	31	Very low	27.9	Very low	123 Å²	123	143.5 Å²	143.5	80%	0.799	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-74.3	136.6	167.5	8.6	6.7	0	0	0	109.1
735	S	29.4	Very low	27.9	Very low	98 Å²	98	146.6 Å²	146.6	69%	0.685	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63.6	136.7	174.1	45.9	0	0	0	0	112.1	N737	S735-N737 PolarHBondContact O-N 3.07Å
736	E	26.7	Very low	27.7	Very low	192 Å²	192	146.9 Å²	146.9	90%	0.897	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-49.5	121.9	157.1	-74.3	167.2	131.8	0	0	109.6
737	N	33.9	Very low	27.8	Very low	132 Å²	132	145.6 Å²	145.6	71%	0.706	79%	0.79	S	S	*	*			trans	-143.6	115.8	161.2	-89.1	-18.4	0	0	0	108.3	S735	S735-N737 PolarHBondContact O-N 3.07Å
738	D	31.4	Very low	27.8	Very low	152 Å²	152	146.2 Å²	146.2	81%	0.813	79%	0.791	S	S	*	*			trans	53.3	84.8	146.8	-57.3	-27	0	0	0	118.9
739	M	26.5	Very low	28	Very low	180 Å²	180	148.9 Å²	148.9	89%	0.887	80%	0.795	S	S	*	*			trans	-86.5	121	151.9	-79.6	-172.4	68.4	0	0	109.9	I741	M739-I741 PolarHBondContact O-N 3.47Å
740	P	32.2	Very low	27.9	Very low	114 Å²	114	147.5 Å²	147.5	74%	0.74	79%	0.791	S	S	*	*			trans	-73.7	120.5	-178.1	27.3	-31.9	0	0	0	111.5	V742	P740-V742 PolarHBondContact O-N 3.34Å
741	I	28	Very low	28	Very low	155 Å²	155	145.8 Å²	145.8	80%	0.795	79%	0.79	S	S	*	*			trans	-73.5	100.8	171.2	-59.6	172.5	0	0	0	107.9	M739 Q743	M739-I741 PolarHBondContact O-N 3.47Å; I741-Q743 HydrophobicContact CG2-CG 4.04Å; I741-Q743 PolarHBondContact O-N 2.76Å
742	V	26.6	Very low	27.9	Very low	119 Å²	119	148.1 Å²	148.1	72%	0.721	80%	0.795	S	S	*	*			trans	-81.5	93.1	171.4	-178.9	0	0	0	0	108.4	P740 V744	P740-V742 PolarHBondContact O-N 3.34Å; V742-V744 HydrophobicContact CG1-CG2 4.12Å; V742-V744 PolarHBondContact O-N 3.2Å
743	Q	24.6	Very low	27.9	Very low	174 Å²	174	145.3 Å²	145.3	81%	0.813	79%	0.792	S	S	*	*			trans	-74.2	102.3	168.5	-76.2	-172	-54.8	0	0	109.9	I741 K745	I741-Q743 HydrophobicContact CG2-CG 4.04Å; I741-Q743 PolarHBondContact O-N 2.76Å; Q743-K745 PolarHBondContact O-N 3.46Å
744	V	25.1	Very low	27.8	Very low	117 Å²	117	141 Å²	141	71%	0.709	79%	0.787	S	S	*	*			trans	-80.3	98.3	168.5	-178.4	0	0	0	0	108.5	V742 L746	V742-V744 HydrophobicContact CG1-CG2 4.12Å; V742-V744 PolarHBondContact O-N 3.2Å; V744-L746 PolarHBondContact O-N 3.49Å
745	K	24.3	Very low	27.6	Very low	189 Å²	189	144.5 Å²	144.5	82%	0.822	79%	0.79	S	S	*	*			trans	-85.6	92.4	178	-149.7	176	-170.9	178.4	0	109.1	Q743 S747	Q743-K745 PolarHBondContact O-N 3.46Å; K745-S747 PolarHBondContact O-N 3.45Å; K745-S747 VanDerWaalsContact O-N 3.12Å
746	L	23.4	Very low	27.4	Very low	164 Å²	164	147.2 Å²	147.2	86%	0.859	80%	0.797	S	S	*	*			trans	-65.7	106.7	171.4	-76	156.4	0	0	0	108.8	V744	V744-L746 PolarHBondContact O-N 3.49Å
747	S	26.8	Very low	27.2	Very low	92 Å²	92	144.1 Å²	144.1	64%	0.643	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-95.7	129.7	172.4	-51.2	0	0	0	0	108.6	K745 I749	K745-S747 PolarHBondContact O-N 3.45Å; K745-S747 VanDerWaalsContact O-N 3.12Å; S747-I749 PolarHBondContact O-N 3.01Å
748	P	29	Very low	26.9	Very low	129 Å²	129	143.1 Å²	143.1	84%	0.838	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-70	123.9	-177.6	24.9	-30.1	0	0	0	111	S750	P748-S750 PolarHBondContact O-N 3.26Å
749	I	28.3	Very low	26.5	Very low	167 Å²	167	145.4 Å²	145.4	86%	0.856	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-77.1	117	174.2	-66.2	170.9	0	0	0	107.7	S747	S747-I749 PolarHBondContact O-N 3.01Å
750	S	28.4	Very low	26.5	Very low	103 Å²	103	143.8 Å²	143.8	72%	0.72	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-68.6	136.9	-179.9	54.3	0	0	0	0	113	P748 K752	P748-S750 PolarHBondContact O-N 3.26Å; S750-K752 PolarHBondContact O-N 3.43Å
751	D	26.3	Very low	26.1	Very low	156 Å²	156	143.7 Å²	143.7	83%	0.834	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-52.5	128.1	163.6	-63.3	-51.5	0	0	0	112.1
752	K	28.6	Very low	26	Very low	208 Å²	208	143.4 Å²	143.4	90%	0.904	79%	0.788	S	S	*	*			trans	174.8	96.6	150.6	-99.1	162.2	-172.1	-176.2	0	110.7	S750	S750-K752 PolarHBondContact O-N 3.43Å
753	A	29.1	Very low	25.9	Very low	85 Å²	85	142.7 Å²	142.7	70%	0.702	79%	0.789	S	S	*	*			trans	-160	75.8	150.6	0	0	0	0	0	109.5	F755	A753-F755 PolarHBondContact O-N 3.32Å
754	S	24.8	Very low	26	Very low	113 Å²	113	139.1 Å²	139.1	79%	0.79	78%	0.783	S	S	*	*			trans	-65.8	102.1	163.4	46.9	0	0	0	0	109.6
755	F	26.3	Very low	26	Very low	196 Å²	196	140.2 Å²	140.2	86%	0.86	79%	0.785	S	S	*	*			trans	-98.8	98.3	164.3	-92.4	-84.3	0	0	0	109.4	A753	A753-F755 PolarHBondContact O-N 3.32Å
756	N	24.4	Very low	26.1	Very low	154 Å²	154	137.7 Å²	137.7	82%	0.824	78%	0.78	S	S	*	*			trans	-91	124.1	162.4	-87.5	-25.8	0	0	0	108.6
757	C	22.9	Very low	26.4	Very low	128 Å²	128	137.8 Å²	137.8	87%	0.865	78%	0.782	S	S	*	*			trans	166.7	135	159.9	-113.2	0	0	0	0	107.5
758	V	27.1	Very low	26.3	Very low	110 Å²	110	142.4 Å²	142.4	67%	0.667	79%	0.793	S	S	*	*			cis	-153.7	135.7	1.6	167.5	0	0	0	0	105	N760	V758-N760 PolarHBondContact O-N 3.27Å
759	K	24.7	Very low	26.1	Very low	200 Å²	200	142.5 Å²	142.5	87%	0.87	80%	0.796	S	S	*	*			trans	-73.6	107.3	163.5	-72.2	178.4	176.3	178.3	0	108	V761	K759-V761 PolarHBondContact O-N 2.93Å
760	N	25.6	Very low	26	Very low	147 Å²	147	140.6 Å²	140.6	79%	0.786	79%	0.792	S	S	*	*			trans	-86	101.2	166.2	-107.9	0.8	0	0	0	108.9	V758	V758-N760 PolarHBondContact O-N 3.27Å
761	V	24.5	Very low	26.2	Very low	111 Å²	111	141.5 Å²	141.5	67%	0.673	80%	0.795	S	S	*	*			trans	-80.8	108	164.9	175.5	0	0	0	0	106.5	K759	K759-V761 PolarHBondContact O-N 2.93Å
762	N	26.4	Very low	26.2	Very low	149 Å²	149	140.6 Å²	140.6	80%	0.797	80%	0.795	S	S	*	*			trans	-116.6	94	160.2	-96.2	-1.2	0	0	0	108.2
763	S	23.2	Very low	26.1	Very low	104 Å²	104	142.7 Å²	142.7	73%	0.727	80%	0.798	S	S	*	*			trans	-88.3	114.6	160.3	43.9	0	0	0	0	108.4
764	S	27.2	Very low	26	Very low	99 Å²	99	148.1 Å²	148.1	69%	0.692	81%	0.805	S	S	*	*			trans	-155	108.5	160.7	42.6	0	0	0	0	111.9
765	N	25.6	Very low	25.9	Very low	140 Å²	140	153.1 Å²	153.1	75%	0.749	81%	0.807	S	S	*	*			trans	58.1	114	137.6	-72.5	-5.3	0	0	0	121
766	N	25.2	Very low	25.9	Very low	136 Å²	136	153.4 Å²	153.4	73%	0.727	81%	0.808	S	S	*	*				48.4	115.4	116.9	-59.6	-7.9	0	0	0	117.1
767	N	29.4	Very low	26	Very low	167 Å²	167	152.8 Å²	152.8	89%	0.893	80%	0.8	S	S	*	*				-158.8	108.5	118.4	-87.2	-28.9	0	0	0	109.7
768	E	24.8	Very low	26.2	Very low	188 Å²	188	154.7 Å²	154.7	88%	0.879	80%	0.801	S	S	*	*			trans	-58.9	136.4	163.7	-68.9	169.4	133.9	0	0	110
769	C	24.6	Very low	26.1	Very low	132 Å²	132	156.5 Å²	156.5	89%	0.892	81%	0.806	S	S	*	*			trans	-148.3	86.5	159.5	-119.5	0	0	0	0	108.6
770	T	27.4	Very low	26.2	Very low	126 Å²	126	152.6 Å²	152.6	77%	0.773	80%	0.804	S	S	*	*			trans	-86	129.3	169.7	47.2	0	0	0	0	110.5
771	P	31.7	Very low	26.2	Very low	122 Å²	122	150.5 Å²	150.5	79%	0.792	80%	0.801	S	S	*	*			trans	-113.3	102.4	155.4	30.7	-16.6	0	0	0	109.4	R773	P771-R773 PolarHBondContact O-N 2.99Å
772	T	25.9	Very low	26.3	Very low	137 Å²	137	153 Å²	153	84%	0.84	81%	0.81	S	S	*	*			trans	-66.3	116.9	164.7	47.8	0	0	0	0	109.6
773	R	27.8	Very low	26.4	Very low	252 Å²	252	150.6 Å²	150.6	95%	0.951	81%	0.806	S	S	*	*			trans	-122.4	126.9	163.9	-149.9	174.3	-179.2	-178.6	-0.2	111.1	P771	P771-R773 PolarHBondContact O-N 2.99Å
774	K	26.1	Very low	26.5	Very low	200 Å²	200	151.4 Å²	151.4	87%	0.87	81%	0.806	S	S	*	*			trans	-67.2	141.6	-161.2	-70	171.5	171.4	175.7	0	114.1
775	R	23.3	Very low	26.6	Very low	217 Å²	217	155.6 Å²	155.6	82%	0.819	81%	0.812	S	S	*	*			trans	-34.4	133.3	154.4	-79.5	171.1	158.2	149.7	-5.3	112.9
776	K	27.2	Very low	26.5	Very low	203 Å²	203	156.9 Å²	156.9	88%	0.883	81%	0.813	S	S	*	*			trans	-123.8	103.2	148.7	-83.4	-172.1	175	-177.1	0	108
777	H	25.9	Very low	26.7	Very low	140 Å²	140	158.9 Å²	158.9	65%	0.648	82%	0.818	S	S	*	*			trans	-71.4	126.2	163.4	-85	-96.5	0	0	0	108.2
778	L	27.1	Very low	26.5	Very low	169 Å²	169	156.5 Å²	156.5	89%	0.885	82%	0.815	S	S	*	*			trans	-124.5	99.5	158.9	-92.1	157.4	0	0	0	106.4
779	N	24.6	Very low	26.8	Very low	147 Å²	147	153 Å²	153	79%	0.786	81%	0.809	S	S	*	*			trans	-74.5	125.3	163.8	-79.6	-11.6	0	0	0	107.8
780	S	27.3	Very low	27.5	Very low	118 Å²	118	151.6 Å²	151.6	83%	0.825	80%	0.798	S	S	*	*			trans	-138.6	91.6	153	65.6	0	0	0	0	108.8
781	S	24.1	Very low	27.3	Very low	103 Å²	103	151 Å²	151	72%	0.72	80%	0.799	S	S	*	*			trans	-67.7	131.9	154.7	47.3	0	0	0	0	109.4
782	N	26.8	Very low	27.4	Very low	163 Å²	163	153.9 Å²	153.9	87%	0.872	80%	0.802	S	S	*	*			trans	157.7	136.7	158.6	-82.1	-14.5	0	0	0	105.4
783	S	28.6	Very low	27.4	Very low	100 Å²	100	152 Å²	152	70%	0.699	79%	0.794	S	S	*	*			cis	-161.2	145.8	11.8	49.2	0	0	0	0	106.5	F785	S783-F785 PolarHBondContact O-N 2.79Å
784	V	25.7	Very low	27.3	Very low	121 Å²	121	147.1 Å²	147.1	73%	0.733	79%	0.785	S	S	*	*			trans	-47.8	128.9	164.3	174.2	0	0	0	0	110.7	E786	V784-E786 HydrophobicContact CG1-CG 4.33Å
785	F	28.9	Very low	27.6	Very low	186 Å²	186	143 Å²	143	82%	0.816	78%	0.779	S	S	*	*			trans	-135.7	99.5	149.4	-112.9	-82.6	0	0	0	107.8	S783	S783-F785 PolarHBondContact O-N 2.79Å
786	E	25.1	Very low	27.9	Very low	167 Å²	167	138.1 Å²	138.1	78%	0.78	77%	0.773	S	S	*	*			trans	-59	129.3	159.1	-72.1	170.7	133	0	0	108.6	V784	V784-E786 HydrophobicContact CG1-CG 4.33Å
787	Q	28.9	Very low	28.1	Very low	178 Å²	178	135.9 Å²	135.9	83%	0.832	77%	0.77	S	S	*	*			trans	-161.6	95.9	150.2	-109	171.7	35.9	0	0	108.3
788	S	24.3	Very low	28.4	Very low	118 Å²	118	134.1 Å²	134.1	83%	0.825	77%	0.769	S	S	*	*			trans	-111.3	116.1	160.8	48.8	0	0	0	0	107.4
789	P	30.7	Very low	28.6	Very low	115 Å²	115	135.7 Å²	135.7	75%	0.747	77%	0.769	S	S	*	*				-151.1	-178.7	119.3	38.9	-22.1	0	0	0	112.5
790	P	39.6	Very low	28.8	Very low	101 Å²	101	135.3 Å²	135.3	66%	0.656	77%	0.766	S	S	*	*			cis	-124	170.3	-48.2	35	-19.8	0	0	0	112.1	H792	P790-H792 PolarHBondContact O-N 2.63Å
791	S	24.3	Very low	28.9	Very low	115 Å²	115	134.2 Å²	134.2	80%	0.804	76%	0.764	S	S	*	*			trans	-40.2	115.2	166.7	51.9	0	0	0	0	115.1
792	H	32.3	Very low	29.2	Very low	182 Å²	182	137.4 Å²	137.4	84%	0.843	77%	0.77	S	S	*	*			trans	-109.7	122.2	153.7	-89.6	-77.1	0	0	0	109.9	P790	P790-H792 PolarHBondContact O-N 2.63Å
793	S	27.1	Very low	29.6	Very low	97 Å²	97	136.7 Å²	136.7	68%	0.678	76%	0.764	S	S	*	*			trans	-68.7	134.6	176	48.6	0	0	0	0	113.2
794	I	26.1	Very low	30	Very low	149 Å²	149	138.4 Å²	138.4	76%	0.764	77%	0.771	S	S	*	*			trans	59.2	120.1	133	-55.9	172.9	0	0	0	116.3
795	P	30.9	Very low	30.6	Very low	114 Å²	114	137.4 Å²	137.4	74%	0.74	76%	0.761	S	S	*	*				-142	131.5	80.6	32.7	-12.3	0	0	0	117.2	L797	P795-L797 PolarHBondContact O-N 2.95Å
796	V	31.2	Very low	31.9	Very low	115 Å²	115	132 Å²	132	70%	0.697	75%	0.746	S	S	*	*			trans	-65.3	113.5	161.1	174.5	0	0	0	0	108.7	T798	V796-T798 HydrophobicContact CG1-CG2 3.88Å
797	L	31.6	Very low	33	Very low	155 Å²	155	129.9 Å²	129.9	81%	0.812	75%	0.747	S	S	*	*			trans	-105.1	66.6	166.6	-91.7	164.7	0	0	0	109.4	P795 K799	P795-L797 PolarHBondContact O-N 2.95Å; L797-K799 PolarHBondContact O-N 3.19Å; L797-K799 VanDerWaalsContact O-N 3.08Å
798	T	31.7	Very low	34.5	Very low	104 Å²	104	124 Å²	124	64%	0.638	73%	0.734	S	S	*	*			trans	-70.9	97.9	160.2	41.5	0	0	0	0	108.1	V796 L800	V796-T798 HydrophobicContact CG1-CG2 3.88Å; T798-L800 PolarHBondContact O-N 3.14Å
799	K	30.7	Very low	35.8	Very low	201 Å²	201	120 Å²	120	87%	0.874	71%	0.708	S	S	*	*			trans	-65.5	75.6	163.7	-78.8	-177.6	176.4	174.2	0	109.2	L797 A801	L797-K799 PolarHBondContact O-N 3.19Å; L797-K799 VanDerWaalsContact O-N 3.08Å; K799-A801 PolarHBondContact O-N 3.25Å
800	L	28.7	Very low	37	Very low	140 Å²	140	117.5 Å²	117.5	73%	0.733	70%	0.697	S	S	*	*			trans	-77	113.3	162.7	-79.6	164.4	0	0	0	107.2	T798 M802	T798-L800 PolarHBondContact O-N 3.14Å; L800-M802 VanDerWaalsContact C-N 3.31Å; L800-M802 PolarHBondContact O-N 3.12Å
801	A	29.9	Very low	37.4	Very low	95 Å²	95	121.8 Å²	121.8	79%	0.785	71%	0.705	S	S	*	*			trans	-61.9	95.7	168.4	0	0	0	0	0	108.4	K799 I803	K799-A801 PolarHBondContact O-N 3.25Å; A801-I803 PolarHBondContact O-N 2.75Å; A801-I803 VanDerWaalsContact O-N 3.08Å
802	M	30.9	Very low	38.7	Very low	170 Å²	170	125.7 Å²	125.7	84%	0.837	71%	0.708	S	S	*	*			trans	-70.2	100.4	172.8	-70.9	-103.2	-99.8	0	0	107.8	L800 T804	L800-M802 VanDerWaalsContact C-N 3.31Å; L800-M802 PolarHBondContact O-N 3.12Å; M802-T804 PolarHBondContact O-N 3.44Å; M802-T804 VanDerWaalsContact O-N 3.12Å
803	I	34.7	Very low	39	Very low	147 Å²	147	125.6 Å²	125.6	75%	0.754	71%	0.713	S	S	*	*			trans	-69.4	105.3	167.1	-61.5	173.9	0	0	0	106.3	A801 L805	A801-I803 PolarHBondContact O-N 2.75Å; A801-I803 VanDerWaalsContact O-N 3.08Å; I803-L805 PolarHBondContact O-N 3.45Å
804	T	36	Very low	39.6	Very low	136 Å²	136	127 Å²	127	83%	0.834	72%	0.715	S	S	*	*			trans	-70.6	97.2	174.4	39.4	0	0	0	0	109.2	M802	M802-T804 PolarHBondContact O-N 3.44Å; M802-T804 VanDerWaalsContact O-N 3.12Å
805	L	38.6	Very low	40.3	Very low	100 Å²	100	125.8 Å²	125.8	52%	0.524	71%	0.712	S	S	.	*			trans	-69	132.9	168.9	-72.4	163.6	0	0	0	108.9	I803 A809 L813	I803-L805 PolarHBondContact O-N 3.45Å; L805-A809 HydrophobicContact CB-CB 4.28Å; L805-A809 HydrophobicContact CD2-CB 3.95Å; L805-L813 HydrophobicContact CD1-CD1 3.97Å
806	S	57.2	Low	40.8	Very low	74 Å²	74	126.5 Å²	126.5	52%	0.517	71%	0.71	S	S	.	*			trans	-61.9	153.7	174.4	73.3	0	0	0	0	110.1	G808 A809 A810	S806-G808 PolarHBondContact O-N 3.37Å; S806-A809 PolarHBondContact O-N 3.32Å; S806-A810 PolarHBondContact O-N 3.14Å
807	P	48.4	Very low	41.4	Very low	122 Å²	122	127.2 Å²	127.2	79%	0.792	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-22.3	179.8	-26.1	33.7	0	0	0	114.2
808	G	58.8	Low	42	Very low	55 Å²	55	125.4 Å²	125.4	57%	0.567	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-36.8	173.8	0	0	0	0	0	113.7	S806	S806-G808 PolarHBondContact O-N 3.37Å
809	A	52.2	Low	42.7	Very low	34 Å²	34	126.9 Å²	126.9	28%	0.281	71%	0.709	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.7	-34.1	-178.3	0	0	0	0	0	112.4	L805 S806 K811 F812 L813	L805-A809 HydrophobicContact CB-CB 4.28Å; L805-A809 HydrophobicContact CD2-CB 3.95Å; S806-A809 PolarHBondContact O-N 3.32Å; A809-K811 PolarHBondContact O-N 3.21Å; A809-F812 PolarHBondContact O-N 3.32Å; A809-F812 VanDerWaalsContact O-N 3.16Å; A809-L813 PolarHBondContact O-N 3.44Å
810	A	55.6	Low	43.5	Very low	61 Å²	61	121.6 Å²	121.6	50%	0.504	70%	0.698	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.3	-15.7	177.3	0	0	0	0	0	114	S806	S806-A810 PolarHBondContact O-N 3.14Å
811	K	49	Very low	44.7	Very low	192 Å²	192	120.2 Å²	120.2	84%	0.835	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-11.4	175.5	-140.9	179.2	-173	179.7	0	112.8	A809	A809-K811 PolarHBondContact O-N 3.21Å
812	F	50.8	Low	45.9	Very low	196 Å²	196	122.3 Å²	122.3	86%	0.86	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-28.9	180	-156.2	-83.7	0	0	0	111.8	A809	A809-F812 PolarHBondContact O-N 3.32Å; A809-F812 VanDerWaalsContact O-N 3.16Å
813	L	38.8	Very low	47.3	Very low	180 Å²	180	117.9 Å²	117.9	94%	0.942	67%	0.674	S	S	*	*			trans	-74.2	0	156.6	-72.2	167.8	0	0	0	109.5	L805 A809	L805-L813 HydrophobicContact CD1-CD1 3.97Å; A809-L813 PolarHBondContact O-N 3.44Å

Retrieved 813 of 813 residues in 156 ms (Link to these results)

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