A0A5K4F2X5_SCHMA Loading...

G-protein coupled receptor 158

AlphaFold DB , UniProt , Accession A0A5K4F2X5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 953 aa.

						>A0A5K4F2X5_SCHMA|A0A5K4F2X5
MNPSLVLFACLILFIERQCLVTAQNSGDDSSSPFRWFKPDNFDIISRKMDQANPNNCETMSEADLRLPPTSLSQIPQYNEIPMRQWFANRSKLLHLHNLALNRAFFYSYILQRLDHPTRDPQYLPSLMYYYLSSAADISSGPNVINISGVFMDTNTTYANWYELKDINKTLPLFAPLARRLDNWNDEMNFLRIPTNATIEITDLGAGPNNNYTASWYKNNPYIRDREMGIDFIPDRRGTAPSKNQYTTKIQLATIGGDPIEKLENTKFYGPNAPGVKETFLPVRFTRPYYDCGGTNRWIVSSVAALTDFMPRYSNITRLRGPRMIGVVVQSMDFYRIDFNPCPPGLGNPNHYLAGIARCKPTTLCVPLPGFGFKRGGYQCVCQPGHRLPYEQNGPFRGVDIEAATEEEYRNNFDCIPVGWREVIPEETGMKNNLERFRRSIGEQASTLWNRFKDPSIHLFNMILSTFGSFKQNIFPTPPKLDESLLINGISEKPLKTTNLDDQPLDRLVPGYRSVSHLLPLEQSDFNLTYTEDVYEDGFFDNDTYILINKPSNIDSKDQSNDIKKRVRRNVDTPFYTVGVGTVFDADRYFEVQRLIAHVRKVTSQNCHLMTADQLILPGEVSYGVEKQFEMVGRTALRLSHFLSAYYQNNVVGELYGSLKTGFPLNRFHLFGEVFANVLSNFDIVSSGIFFDYQMFTDHDGTTWDLFAPYAYKPLLATQAAEAIDMSLNPYRDYTEKPWFRTLKSRWASSRQSLERITSKPYIRSDVNGSQIQRYFTFPIYYRVPHYEEGYWTQPYFDCDGLIKDWLITYATPFFGVVGEEKALRFMGVVTVSVKLTSLDINQCPQSFYTPNFFKNTARCDFRSTYCKLIPRHYFLSGSYKCECRQGFEYPLNDRTWYFHGEMMEREYQLMLAGKPNRYELLRCRQGVASGLTSSSVVILVWINFLVISFHSL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	43.1	Very low	244 Å²	244	132.9 Å²	132.9	100%	1.202	75%	0.745	S	S	*	*				0	110.8	0	-70.6	168.4	100.2	0	0	106.5
2	N	37.1	Very low	43.2	Very low	138 Å²	138	133 Å²	133	74%	0.738	74%	0.74	S	S	*	*			trans	-70.3	134.9	-163.5	-96.5	-16.3	0	0	0	112.6	S4	N2-S4 PolarHBondContact O-N 2.98Å; N2-S4 VanDerWaalsContact O-N 3.16Å
3	P	47	Very low	43	Very low	106 Å²	106	133.3 Å²	133.3	69%	0.688	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-79.2	12.6	-176.9	33.4	-34.6	0	0	0	113.9	L5	P3-L5 VanDerWaalsContact C-N 3.27Å; P3-L5 PolarHBondContact O-N 3.31Å
4	S	44.2	Very low	42.7	Very low	81 Å²	81	138.9 Å²	138.9	57%	0.566	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-74.3	-11.1	-179.2	50.3	0	0	0	0	114.4	N2	N2-S4 PolarHBondContact O-N 2.98Å; N2-S4 VanDerWaalsContact O-N 3.16Å
5	L	46.6	Very low	42.3	Very low	144 Å²	144	139.9 Å²	139.9	75%	0.754	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-86.1	-17.5	-178.9	-102.4	123.6	0	0	0	114.9	P3	P3-L5 VanDerWaalsContact C-N 3.27Å; P3-L5 PolarHBondContact O-N 3.31Å
6	V	50.8	Low	41.7	Very low	109 Å²	109	142.2 Å²	142.2	66%	0.661	76%	0.759	S	S	*	*	H	α-helix	trans	-83.5	-29.4	-176.1	-178.5	0	0	0	0	112.1
7	L	46.8	Very low	41.5	Very low	141 Å²	141	148.9 Å²	148.9	74%	0.738	77%	0.771	S	S	*	*	H	α-helix	trans	-75.7	-23	179.8	-87.7	154	0	0	0	113.7
8	F	42.7	Very low	41.2	Very low	168 Å²	168	150.8 Å²	150.8	74%	0.737	78%	0.776	S	S	*	*	H	α-helix	trans	-83.3	-23.8	179.1	-117.4	-85.5	0	0	0	113.6
9	A	40.6	Very low	40.4	Very low	71 Å²	71	148.9 Å²	148.9	59%	0.587	78%	0.776	S	S	*	*	H	α-helix	trans	-80	-22.1	-178.4	0	0	0	0	0	113.6
10	C	38.7	Very low	39.9	Very low	107 Å²	107	149.6 Å²	149.6	72%	0.723	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-10.5	-177.9	-74.9	0	0	0	0	114.6
11	L	42.2	Very low	39.4	Very low	153 Å²	153	149 Å²	149	80%	0.801	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-5.5	-176	-95.7	157.4	0	0	0	114.8
12	I	44.8	Very low	39.1	Very low	134 Å²	134	142.5 Å²	142.5	69%	0.687	76%	0.756	S	S	*	*	S	Bend	trans	-109.5	-4.6	-170.1	-63	179.9	0	0	0	114.3
13	L	39.7	Very low	38.8	Very low	137 Å²	137	140.1 Å²	140.1	72%	0.717	76%	0.756	S	S	*	*	S	Bend	trans	-124.9	18.6	-167.9	-77	176	0	0	0	119.5
14	F	39.1	Very low	38	Very low	211 Å²	211	142.7 Å²	142.7	93%	0.925	76%	0.759	S	S	*	*			trans	-133.5	64.1	168.8	-78.6	-81.5	0	0	0	113.1
15	I	36.8	Very low	37.6	Very low	155 Å²	155	146.8 Å²	146.8	80%	0.795	77%	0.774	S	S	*	*			trans	-98.6	130.4	151.9	-68.5	172.2	0	0	0	106.4
16	E	33.5	Very low	37.1	Very low	176 Å²	176	144.9 Å²	144.9	82%	0.822	77%	0.773	S	S	*	*			trans	74.2	90.4	170.5	-70.6	175.8	-173.5	0	0	119.1
17	R	37.4	Very low	36.5	Very low	256 Å²	256	142.7 Å²	142.7	97%	0.966	77%	0.773	S	S	*	*				-150.9	112.2	126.6	-110.1	173.3	-169.6	-118.1	1.5	111.1
18	Q	35.4	Very low	36.4	Very low	184 Å²	184	143.3 Å²	143.3	86%	0.86	78%	0.777	S	S	*	*			trans	-65.9	140.1	176.3	-71.6	172	-22.9	0	0	112
19	C	26.8	Very low	36.7	Very low	115 Å²	115	141.7 Å²	141.7	78%	0.777	78%	0.775	S	S	*	*			trans	36.8	91.7	137.4	-60.6	0	0	0	0	118.2
20	L	30.4	Very low	37.2	Very low	162 Å²	162	143.1 Å²	143.1	85%	0.848	78%	0.781	S	S	*	*			trans	-127.2	104.4	135	-103	115.5	0	0	0	107.9	T22	L20-T22 VanDerWaalsContact C-N 3.26Å; L20-T22 PolarHBondContact O-N 3.38Å
21	V	30	Very low	38.4	Very low	136 Å²	136	143.3 Å²	143.3	82%	0.824	78%	0.784	S	S	*	*			trans	-69	87.7	170.3	178.3	0	0	0	0	107.2
22	T	30.1	Very low	39.6	Very low	108 Å²	108	138.2 Å²	138.2	66%	0.663	76%	0.761	S	S	*	*			trans	-91.5	107.4	149.1	45.5	0	0	0	0	105.8	L20 Q24	L20-T22 VanDerWaalsContact C-N 3.26Å; L20-T22 PolarHBondContact O-N 3.38Å; T22-Q24 PolarHBondContact O-N 3.3Å
23	A	30.7	Very low	40.6	Very low	88 Å²	88	136.2 Å²	136.2	73%	0.727	76%	0.757	S	S	*	*			trans	-64.8	76.8	170.9	0	0	0	0	0	109.3
24	Q	31.1	Very low	41.8	Very low	161 Å²	161	135.3 Å²	135.3	75%	0.752	75%	0.747	S	S	*	*			trans	-82.2	105.6	152.9	-79.5	-177	-30.6	0	0	105.4	T22 S26	T22-Q24 PolarHBondContact O-N 3.3Å; Q24-S26 PolarHBondContact O-N 2.99Å
25	N	35.9	Very low	43.3	Very low	166 Å²	166	134.6 Å²	134.6	89%	0.888	74%	0.738	S	S	*	*			trans	-62	82.5	168.7	-79.9	-10.5	0	0	0	109.1
26	S	35	Very low	45.3	Very low	104 Å²	104	129.4 Å²	129.4	73%	0.727	71%	0.709	S	S	*	*			trans	-135.2	54.5	157.2	61.8	0	0	0	0	106.9	Q24	Q24-S26 PolarHBondContact O-N 2.99Å
27	G	39.6	Very low	47.4	Very low	64 Å²	64	122.7 Å²	122.7	66%	0.66	68%	0.677	S	S	*	*			trans	-83.6	123.6	162.4	0	0	0	0	0	107.5	D29	G27-D29 VanDerWaalsContact C-N 3.32Å; G27-D29 PolarHBondContact O-N 2.94Å
28	D	44	Very low	49.6	Very low	154 Å²	154	119.1 Å²	119.1	82%	0.824	67%	0.669	S	S	*	*			trans	-59.8	87.7	173.5	-82.7	-43.2	0	0	0	111	S30	D28-S30 PolarHBondContact O-N 3.03Å
29	D	48.3	Very low	52	Low	133 Å²	133	115.5 Å²	115.5	71%	0.711	66%	0.661	S	S	*	*			trans	-72	66.6	163.8	-92.1	-15.1	0	0	0	109.4	G27 S31	G27-D29 VanDerWaalsContact C-N 3.32Å; G27-D29 PolarHBondContact O-N 2.94Å; D29-S31 PolarHBondContact O-N 3.27Å
30	S	52.7	Low	55	Low	101 Å²	101	111.3 Å²	111.3	71%	0.706	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-8	-174.8	55.3	0	0	0	0	114.4	D28	D28-S30 PolarHBondContact O-N 3.03Å
31	S	63	Low	57.9	Low	111 Å²	111	106.6 Å²	106.6	78%	0.776	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	1.7	-176.8	65.6	0	0	0	0	115.4	D29 P33	D29-S31 PolarHBondContact O-N 3.27Å; S31-P33 WeakPolarHBondContact O-CD 3.35Å
32	S	68	Low	60.9	Low	47 Å²	47	100.8 Å²	100.8	33%	0.329	57%	0.57	S	S	.	*			trans	-73.3	120.3	179.2	167	0	0	0	0	111	F34 R35	S32-F34 PolarHBondContact O-N 2.89Å; S32-F34 PolarHBondContact OG-N 3.3Å; S32-R35 PolarHBondContact O-N 3.46Å
33	P	64.3	Low	63.8	Low	91 Å²	91	98.4 Å²	98.4	59%	0.591	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-9.9	172.8	26.1	-32.2	0	0	0	112.7	S31	S31-P33 WeakPolarHBondContact O-CD 3.35Å
34	F	64.9	Low	66.7	Low	118 Å²	118	97.4 Å²	97.4	52%	0.518	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	10.7	-178.9	-60.2	-82.5	0	0	0	113.4	S32 W36 F37	S32-F34 PolarHBondContact O-N 2.89Å; S32-F34 PolarHBondContact OG-N 3.3Å; F34-W36 PolarHBondContact O-N 2.83Å; F34-W36 VanDerWaalsContact O-N 3.16Å; F34-F37 HydrophobicContact CB-CD2 3.77Å; F34-F37 HydrophobicContact CB-CE2 4.4Å; F34-F37 AromaticContact CD1-CD2 3.54Å; F34-F37 HydrophobicContact CD1-CD2 3.54Å; F34-F37 AromaticContact CD1-CE2 3.36Å; F34-F37 HydrophobicContact CD1-CE2 3.36Å; F34-F37 HydrophobicContact CD1-CZ 4.47Å; F34-F37 HydrophobicContact CE1-CE2 4.04Å; F34-F37 HydrophobicContact CG-CD2 4.14Å; F34-F37 HydrophobicContact CG-CE2 4.32Å; F34-F37 WeakPolarHBondContact O-CB 3.36Å; F34-F37 PolarHBondContact O-N 3.33Å
35	R	71.5	Confident	69.7	Low	197 Å²	197	89.8 Å²	89.8	74%	0.743	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-34.9	-179.4	-179.6	178.7	176.3	171.9	2.6	114.2	S32 F37	S32-R35 PolarHBondContact O-N 3.46Å; R35-F37 PolarHBondContact O-N 2.8Å
36	W	79.5	Confident	72.4	Confident	46 Å²	46	83.3 Å²	83.3	17%	0.174	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-19.2	-179.7	73.7	-87.6	0	0	0	112.9	F34 K38 A404 E406 Y409	F34-W36 PolarHBondContact O-N 2.83Å; F34-W36 VanDerWaalsContact O-N 3.16Å; W36-K38 PolarHBondContact O-N 2.9Å; W36-A404 HydrophobicContact CZ2-CB 4.45Å; W36-A404 WeakPolarHBondContact CZ2-O 3.33Å; W36-E406 HydrophobicContact CB-CB 3.89Å; W36-E406 HydrophobicContact CB-CG 3.66Å; W36-E406 VanDerWaalsContact CD1-CB 3.47Å; W36-E406 HydrophobicContact CD2-CB 4.19Å; W36-E406 HydrophobicContact CD2-CG 4.39Å; W36-E406 HydrophobicContact CG-CB 3.59Å; W36-E406 HydrophobicContact CG-CG 3.84Å; W36-Y409 AromaticContact CH2-CD1 3.84Å; W36-Y409 HydrophobicContact CH2-CD1 3.84Å; W36-Y409 AromaticContact CH2-CD2 3.88Å; W36-Y409 HydrophobicContact CH2-CD2 3.88Å; W36-Y409 AromaticContact CH2-CG 3.41Å; W36-Y409 HydrophobicContact CH2-CG 3.41Å; W36-Y409 VanDerWaalsContact CH2-CG 3.41Å; W36-Y409 HydrophobicContact CZ2-CG 4.29Å; W36-Y409 AromaticContact CZ3-CD1 3.65Å; W36-Y409 HydrophobicContact CZ3-CD1 3.65Å; W36-Y409 HydrophobicContact CZ3-CD2 4.37Å; W36-Y409 HydrophobicContact CZ3-CE1 4.19Å; W36-Y409 AromaticContact CZ3-CG 3.75Å; W36-Y409 HydrophobicContact CZ3-CG 3.75Å
37	F	77.6	Confident	75.1	Confident	34 Å²	34	85.2 Å²	85.2	15%	0.149	46%	0.458	C	S	.	.	S	Bend	trans	-82.8	100.4	172.6	-60.3	-72.9	0	0	0	109.8	F34 R35 R358 E402 A404	F34-F37 HydrophobicContact CB-CD2 3.77Å; F34-F37 HydrophobicContact CB-CE2 4.4Å; F34-F37 AromaticContact CD1-CD2 3.54Å; F34-F37 HydrophobicContact CD1-CD2 3.54Å; F34-F37 AromaticContact CD1-CE2 3.36Å; F34-F37 HydrophobicContact CD1-CE2 3.36Å; F34-F37 HydrophobicContact CD1-CZ 4.47Å; F34-F37 HydrophobicContact CE1-CE2 4.04Å; F34-F37 HydrophobicContact CG-CD2 4.14Å; F34-F37 HydrophobicContact CG-CE2 4.32Å; F34-F37 WeakPolarHBondContact O-CB 3.36Å; F34-F37 PolarHBondContact O-N 3.33Å; R35-F37 PolarHBondContact O-N 2.8Å; F37-R358 VanDerWaalsContact CD1-NH2 3.25Å; F37-R358 VanDerWaalsContact CE1-CZ 3.46Å; F37-E402 WeakPolarHBondContact CZ-O 3.38Å; F37-A404 WeakPolarHBondContact CE2-O 3.47Å; F37-A404 WeakPolarHBondContact CZ-O 3.39Å
38	K	82.6	Confident	77.7	Confident	182 Å²	182	84.5 Å²	84.5	79%	0.791	44%	0.437	S	S	*	.			trans	-67.7	139.4	169.9	-68.2	-174.9	-178.8	180	0	109.6	W36 D40	W36-K38 PolarHBondContact O-N 2.9Å; K38-D40 PolarHBondContact O-N 3.47Å
39	P	85.7	Confident	80	Confident	108 Å²	108	77.3 Å²	77.3	70%	0.701	40%	0.399	S	S	*	.			trans	-55.1	128.3	173.6	-24.6	33.4	0	0	0	110.8	D43	P39-D43 WeakPolarHBondContact CA-OD2 3.21Å; P39-D43 HydrophobicContact CB-CB 4.41Å
40	D	89.6	Confident	82.1	Confident	26 Å²	26	76 Å²	76	14%	0.139	39%	0.392	C	S	.	.			trans	-108.4	-176.4	178	65.9	28.2	0	0	0	111.2	K38 F42 D43 I44 I356 R358 R375	K38-D40 PolarHBondContact O-N 3.47Å; D40-F42 PolarHBondContact O-N 3.37Å; D40-F42 WeakPolarHBondContact OD1-CA 3.37Å; D40-F42 VanDerWaalsContact OD1-CB 3.25Å; D40-F42 WeakPolarHBondContact OD1-CB 3.46Å; D40-F42 PolarHBondContact OD1-N 2.87Å; D40-D43 PolarHBondContact N-OD2 2.75Å; D40-D43 PolarHBondContact O-N 3.34Å; D40-D43 PolarHBondContact OD1-N 3.37Å; D40-D43 VanDerWaalsContact OD1-N 3.07Å; D40-I44 WeakPolarHBondContact O-CG1 3.49Å; D40-I44 PolarHBondContact O-N 3.38Å; D40-I356 HydrophobicContact CB-CG2 4.44Å; D40-R358 IonicContact OD2-NH1 3.97Å; D40-R375 IonicContact OD1-CZ 3.53Å; D40-R375 IonicContact OD1-NH1 3.83Å; D40-R375 IonicContact OD1-NH2 3.31Å; D40-R375 PolarHBondContact OD1-NH2 2.72Å; D40-R375 IonicContact OD2-CZ 2.71Å; D40-R375 IonicContact OD2-NH1 2.68Å; D40-R375 PolarHBondContact OD2-NH1 2.98Å; D40-R375 IonicContact OD2-NH2 2.75Å; D40-R375 PolarHBondContact OD2-NH2 2.8Å
41	N	92.2	Very high	84	Confident	63 Å²	63	76 Å²	76	34%	0.337	38%	0.38	S	S	.	.	H	α-helix	trans	-61.3	-29	178	-73.3	-9.9	0	0	0	113.1	I44 I45 Y352 I356	N41-I44 PolarHBondContact O-N 2.75Å; N41-I45 PolarHBondContact O-N 2.83Å; N41-Y352 HydrophobicContact CB-CD1 3.87Å; N41-Y352 HydrophobicContact CB-CE1 3.55Å; N41-Y352 WeakPolarHBondContact CB-O 3.5Å; N41-Y352 PolarHBondContact ND2-O 2.65Å; N41-Y352 WeakPolarHBondContact O-CE1 3.44Å; N41-I356 HydrophobicContact CB-CG2 4.47Å
42	F	92.6	Very high	85.4	Confident	14 Å²	14	71.1 Å²	71.1	6%	0.061	35%	0.347	C	S	.	.	H	α-helix	trans	-67.5	-43	175.3	177.4	-77	0	0	0	110.8	D40 I44 I45 S46 F339 L353 I356 F373 R375	D40-F42 PolarHBondContact O-N 3.37Å; D40-F42 WeakPolarHBondContact OD1-CA 3.37Å; D40-F42 VanDerWaalsContact OD1-CB 3.25Å; D40-F42 WeakPolarHBondContact OD1-CB 3.46Å; D40-F42 PolarHBondContact OD1-N 2.87Å; F42-I44 VanDerWaalsContact C-N 3.27Å; F42-I44 PolarHBondContact O-N 2.82Å; F42-I45 PolarHBondContact O-N 2.84Å; F42-S46 WeakPolarHBondContact O-CB 3.44Å; F42-S46 PolarHBondContact O-N 2.91Å; F42-F339 HydrophobicContact CD2-CE1 4.18Å; F42-F339 HydrophobicContact CD2-CE2 4.49Å; F42-F339 AromaticContact CD2-CZ 3.74Å; F42-F339 HydrophobicContact CD2-CZ 3.74Å; F42-F339 HydrophobicContact CE2-CE1 4Å; F42-F339 AromaticContact CE2-CZ 3.94Å; F42-F339 HydrophobicContact CE2-CZ 3.94Å; F42-L353 HydrophobicContact CB-CD2 4.13Å; F42-L353 HydrophobicContact CD2-CD2 4.44Å; F42-I356 HydrophobicContact CB-CD1 3.77Å; F42-I356 HydrophobicContact CD2-CD1 4.44Å; F42-I356 HydrophobicContact CG-CD1 4.43Å; F42-F373 HydrophobicContact CD2-CE1 4.45Å; F42-F373 HydrophobicContact CD2-CE2 4.15Å; F42-F373 AromaticContact CD2-CZ 3.87Å; F42-F373 HydrophobicContact CD2-CZ 3.87Å; F42-F373 HydrophobicContact CE2-CD1 4.19Å; F42-F373 HydrophobicContact CE2-CD2 4.39Å; F42-F373 AromaticContact CE2-CE1 3.69Å; F42-F373 HydrophobicContact CE2-CE1 3.69Å; F42-F373 AromaticContact CE2-CE2 3.92Å; F42-F373 HydrophobicContact CE2-CE2 3.92Å; F42-F373 AromaticContact CE2-CZ 3.53Å; F42-F373 HydrophobicContact CE2-CZ 3.53Å; F42-F373 HydrophobicContact CZ-CD1 4.44Å; F42-F373 AromaticContact CZ-CE1 3.92Å; F42-F373 HydrophobicContact CZ-CE1 3.92Å; F42-F373 HydrophobicContact CZ-CZ 4.15Å; F42-R375 HydrophobicContact CD1-CG 3.5Å; F42-R375 HydrophobicContact CD2-CG 4.31Å; F42-R375 HydrophobicContact CE1-CG 3.39Å; F42-R375 HydrophobicContact CE2-CG 4.19Å; F42-R375 HydrophobicContact CG-CG 3.99Å; F42-R375 HydrophobicContact CZ-CG 3.75Å
43	D	91.3	Very high	86.5	Confident	58 Å²	58	72 Å²	72	31%	0.31	35%	0.348	S	S	.	.	H	α-helix	trans	-63.2	-36.1	177.8	-66.9	-39.7	0	0	0	112.3	P39 D40 R47 R375	P39-D43 WeakPolarHBondContact CA-OD2 3.21Å; P39-D43 HydrophobicContact CB-CB 4.41Å; D40-D43 PolarHBondContact N-OD2 2.75Å; D40-D43 PolarHBondContact O-N 3.34Å; D40-D43 PolarHBondContact OD1-N 3.37Å; D40-D43 VanDerWaalsContact OD1-N 3.07Å; D43-R47 WeakPolarHBondContact O-CB 3.33Å; D43-R47 PolarHBondContact O-N 2.68Å; D43-R375 IonicContact OD1-CZ 3.46Å; D43-R375 IonicContact OD1-NE 3.28Å; D43-R375 PolarHBondContact OD1-NE 3.1Å; D43-R375 IonicContact OD1-NH2 2.91Å; D43-R375 PolarHBondContact OD1-NH2 2.88Å; D43-R375 IonicContact OD2-CZ 3.86Å; D43-R375 IonicContact OD2-NH2 2.82Å; D43-R375 PolarHBondContact OD2-NH2 3.11Å
44	I	92.1	Very high	87.7	Confident	67 Å²	67	70.8 Å²	70.8	34%	0.344	34%	0.34	S	S	.	.	H	α-helix	trans	-63.1	-47.5	176.7	-62.8	169.8	0	0	0	110.3	D40 N41 F42 K48 Y352	D40-I44 WeakPolarHBondContact O-CG1 3.49Å; D40-I44 PolarHBondContact O-N 3.38Å; N41-I44 PolarHBondContact O-N 2.75Å; F42-I44 VanDerWaalsContact C-N 3.27Å; F42-I44 PolarHBondContact O-N 2.82Å; I44-K48 WeakPolarHBondContact O-CB 3.18Å; I44-K48 PolarHBondContact O-N 3.47Å; I44-K48 VanDerWaalsContact O-N 3.14Å; I44-Y352 WeakPolarHBondContact CG2-OH 3.44Å
45	I	92.9	Very high	89	Confident	2 Å²	2	72.6 Å²	72.6	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-67.3	-46.4	177	-77.8	176.8	0	0	0	111.2	N41 F42 R47 K48 M49 L67 Y352 L353 F373	N41-I45 PolarHBondContact O-N 2.83Å; F42-I45 PolarHBondContact O-N 2.84Å; I45-R47 PolarHBondContact O-N 2.91Å; I45-K48 CarbonylContact O-C 3.5Å; I45-K48 WeakPolarHBondContact O-CB 3.42Å; I45-K48 PolarHBondContact O-N 3.42Å; I45-K48 VanDerWaalsContact O-N 3.12Å; I45-M49 HydrophobicContact CG2-CG 4.03Å; I45-M49 HydrophobicContact CG2-SD 3.48Å; I45-M49 WeakPolarHBondContact CG2-SD 3.14Å; I45-M49 WeakPolarHBondContact O-CB 3.16Å; I45-M49 VanDerWaalsContact O-CG 3.3Å; I45-M49 WeakPolarHBondContact O-CG 3.32Å; I45-M49 PolarHBondContact O-N 2.85Å; I45-L67 HydrophobicContact CG2-CD1 3.86Å; I45-L67 HydrophobicContact CG2-CD2 4.14Å; I45-Y352 HydrophobicContact CD1-CD1 3.24Å; I45-Y352 HydrophobicContact CD1-CE1 3.33Å; I45-Y352 HydrophobicContact CD1-CG 4.27Å; I45-Y352 HydrophobicContact CG1-CD1 4.02Å; I45-Y352 HydrophobicContact CG1-CE1 3.53Å; I45-L353 HydrophobicContact CD1-CD2 4.13Å; I45-L353 HydrophobicContact CD1-CG 4.45Å; I45-F373 HydrophobicContact CB-CZ 4.45Å; I45-F373 HydrophobicContact CG2-CE1 4.32Å; I45-F373 HydrophobicContact CG2-CE2 4.29Å; I45-F373 HydrophobicContact CG2-CZ 3.58Å
46	S	92.8	Very high	90	Very high	30 Å²	30	66.1 Å²	66.1	21%	0.21	34%	0.335	C	S	.	.	H	α-helix	trans	-57.7	-50.3	-178.7	-166.9	0	0	0	0	110.5	F42 K48 M49 D50	F42-S46 WeakPolarHBondContact O-CB 3.44Å; F42-S46 PolarHBondContact O-N 2.91Å; S46-K48 VanDerWaalsContact C-N 3.29Å; S46-K48 PolarHBondContact O-N 3.38Å; S46-M49 CarbonylContact O-C 3.42Å; S46-M49 WeakPolarHBondContact O-CA 3.4Å; S46-M49 WeakPolarHBondContact O-CB 3.12Å; S46-M49 PolarHBondContact O-N 2.78Å; S46-D50 WeakPolarHBondContact O-CB 3.37Å; S46-D50 PolarHBondContact O-N 2.83Å; S46-D50 PolarHBondContact OG-OD2 2.95Å
47	R	92.9	Very high	90.5	Very high	143 Å²	143	64 Å²	64	54%	0.54	33%	0.328	S	S	.	.	H	α-helix	trans	-58.4	-41	176.6	176.9	171.6	49.4	99.1	2.8	112.4	D43 I45 M49 D50 Q51	D43-R47 WeakPolarHBondContact O-CB 3.33Å; D43-R47 PolarHBondContact O-N 2.68Å; I45-R47 PolarHBondContact O-N 2.91Å; R47-M49 VanDerWaalsContact C-N 3.32Å; R47-D50 PolarHBondContact O-N 2.88Å; R47-Q51 WeakPolarHBondContact O-CG 3.32Å; R47-Q51 PolarHBondContact O-N 3.5Å; R47-Q51 VanDerWaalsContact O-N 3.12Å
48	K	92.7	Very high	91	Very high	49 Å²	49	69.5 Å²	69.5	21%	0.213	35%	0.354	C	S	.	.	H	α-helix	trans	-63.7	-40.3	175.3	-176.7	173.6	-174.3	172.9	0	111.5	I44 I45 S46 A63 D64 R66 L67	I44-K48 WeakPolarHBondContact O-CB 3.18Å; I44-K48 PolarHBondContact O-N 3.47Å; I44-K48 VanDerWaalsContact O-N 3.14Å; I45-K48 CarbonylContact O-C 3.5Å; I45-K48 WeakPolarHBondContact O-CB 3.42Å; I45-K48 PolarHBondContact O-N 3.42Å; I45-K48 VanDerWaalsContact O-N 3.12Å; S46-K48 VanDerWaalsContact C-N 3.29Å; S46-K48 PolarHBondContact O-N 3.38Å; K48-A63 WeakPolarHBondContact CE-O 3.25Å; K48-A63 PolarHBondContact NZ-O 2.79Å; K48-D64 WeakPolarHBondContact CE-O 3.34Å; K48-R66 VanDerWaalsContact CE-O 3.29Å; K48-R66 WeakPolarHBondContact CE-O 3.16Å; K48-R66 PolarHBondContact NZ-O 2.59Å; K48-L67 HydrophobicContact CD-CD2 4.11Å; K48-L67 HydrophobicContact CG-CD2 4.5Å
49	M	93.1	Very high	91.3	Very high	3 Å²	3	66.1 Å²	66.1	2%	0.015	35%	0.349	C	S	.	.	H	α-helix	trans	-68.2	-39.9	178.2	-70.5	175.9	66.5	0	0	112.5	I45 S46 R47 Q51 A52 L67 W298 F334 Y335 F373	I45-M49 HydrophobicContact CG2-CG 4.03Å; I45-M49 HydrophobicContact CG2-SD 3.48Å; I45-M49 WeakPolarHBondContact CG2-SD 3.14Å; I45-M49 WeakPolarHBondContact O-CB 3.16Å; I45-M49 VanDerWaalsContact O-CG 3.3Å; I45-M49 WeakPolarHBondContact O-CG 3.32Å; I45-M49 PolarHBondContact O-N 2.85Å; S46-M49 CarbonylContact O-C 3.42Å; S46-M49 WeakPolarHBondContact O-CA 3.4Å; S46-M49 WeakPolarHBondContact O-CB 3.12Å; S46-M49 PolarHBondContact O-N 2.78Å; R47-M49 VanDerWaalsContact C-N 3.32Å; M49-Q51 VanDerWaalsContact C-N 3.33Å; M49-A52 PolarHBondContact O-N 3.26Å; M49-L67 HydrophobicContact CG-CD1 4.32Å; M49-L67 HydrophobicContact CG-CD2 4.12Å; M49-L67 HydrophobicContact SD-CD1 3.99Å; M49-W298 VanDerWaalsContact CA-NE1 3.34Å; M49-W298 HydrophobicContact CB-CZ2 4.28Å; M49-W298 HydrophobicContact CE-CB 3.87Å; M49-W298 HydrophobicContact CE-CD2 4.28Å; M49-W298 HydrophobicContact CE-CG 3.66Å; M49-W298 HydrophobicContact CG-CD2 3.93Å; M49-W298 HydrophobicContact CG-CG 4.2Å; M49-W298 HydrophobicContact CG-CZ2 4Å; M49-W298 PolarHBondContact O-NE1 3.18Å; M49-W298 VanDerWaalsContact O-NE1 3.1Å; M49-F334 HydrophobicContact CE-CD1 3.62Å; M49-F334 HydrophobicContact CE-CE1 4.08Å; M49-F334 HydrophobicContact SD-CD1 4.02Å; M49-F334 HydrophobicContact SD-CE1 3.86Å; M49-Y335 HydrophobicContact CE-CD1 4.15Å; M49-Y335 HydrophobicContact CE-CD2 4.36Å; M49-Y335 HydrophobicContact CE-CE1 3.51Å; M49-Y335 HydrophobicContact CE-CE2 3.78Å; M49-Y335 WeakPolarHBondContact CE-OH 3.21Å; M49-F373 HydrophobicContact CE-CD1 4.29Å; M49-F373 HydrophobicContact CE-CE1 4.28Å; M49-F373 HydrophobicContact SD-CD1 4.23Å; M49-F373 HydrophobicContact SD-CE1 3.66Å; M49-F373 HydrophobicContact SD-CZ 4.03Å
50	D	92.6	Very high	91.6	Very high	107 Å²	107	61.9 Å²	61.9	57%	0.572	32%	0.32	S	S	*	.	H	α-helix	trans	-70.9	-27.5	-179.9	-64	-33.4	0	0	0	112.5	S46 R47 A52	S46-D50 WeakPolarHBondContact O-CB 3.37Å; S46-D50 PolarHBondContact O-N 2.83Å; S46-D50 PolarHBondContact OG-OD2 2.95Å; R47-D50 PolarHBondContact O-N 2.88Å; D50-A52 VanDerWaalsContact C-N 3.33Å
51	Q	92.5	Very high	91.6	Very high	99 Å²	99	63.2 Å²	63.2	46%	0.463	33%	0.331	S	S	.	.	H	α-helix	trans	-69.8	-28.4	175.3	-78.1	171.7	-4.9	0	0	113.3	R47 M49	R47-Q51 WeakPolarHBondContact O-CG 3.32Å; R47-Q51 PolarHBondContact O-N 3.5Å; R47-Q51 VanDerWaalsContact O-N 3.12Å; M49-Q51 VanDerWaalsContact C-N 3.33Å
52	A	91.7	Very high	91.2	Very high	10 Å²	10	64.2 Å²	64.2	8%	0.083	33%	0.334	C	S	.	.			trans	-81.6	119	179.9	0	0	0	0	0	110.1	M49 D50 M60 L65 Y290 W298	M49-A52 PolarHBondContact O-N 3.26Å; D50-A52 VanDerWaalsContact C-N 3.33Å; A52-M60 HydrophobicContact CB-SD 4.45Å; A52-L65 HydrophobicContact CB-CD2 4.17Å; A52-Y290 HydrophobicContact CB-CD1 4.46Å; A52-Y290 HydrophobicContact CB-CD2 3.94Å; A52-Y290 HydrophobicContact CB-CE2 4.23Å; A52-Y290 HydrophobicContact CB-CG 4.05Å; A52-W298 HydrophobicContact CB-CZ2 3.77Å
53	N	91.8	Very high	91	Very high	65 Å²	65	66.8 Å²	66.8	35%	0.348	36%	0.357	S	S	.	.			trans	-138.2	165.3	177.8	69.3	35.4	0	0	0	110.4	N55 N56 C57 Y290	N53-N55 PolarHBondContact O-N 3.31Å; N53-N55 VanDerWaalsContact O-N 3.17Å; N53-N55 PolarHBondContact OD1-N 3.14Å; N53-N56 PolarHBondContact O-N 3.16Å; N53-N56 WeakPolarHBondContact OD1-CB 3.33Å; N53-N56 PolarHBondContact OD1-N 3.2Å; N53-C57 VanDerWaalsContact O-CB 3.27Å; N53-C57 WeakPolarHBondContact O-CB 3.49Å; N53-C57 PolarHBondContact O-N 2.93Å; N53-Y290 VanDerWaalsContact C-OH 3.31Å
54	P	90	Very high	91	Very high	65 Å²	65	67.4 Å²	67.4	42%	0.422	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.1	-178.9	-22.5	30.6	0	0	0	114.1	Y290 N296	P54-Y290 WeakPolarHBondContact CD-OH 3.33Å; P54-N296 HydrophobicContact CB-CB 4.46Å; P54-N296 HydrophobicContact CG-CB 3.95Å
55	N	92.3	Very high	91	Very high	156 Å²	156	64.6 Å²	64.6	83%	0.834	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-23	-174.3	-60.3	-19.2	0	0	0	112.9	N53	N53-N55 PolarHBondContact O-N 3.31Å; N53-N55 VanDerWaalsContact O-N 3.17Å; N53-N55 PolarHBondContact OD1-N 3.14Å
56	N	91.7	Very high	90.9	Very high	61 Å²	61	65.4 Å²	65.4	33%	0.326	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-19.3	-174	-170.8	34.1	0	0	0	112.2	N53 E58 T59 M60	N53-N56 PolarHBondContact O-N 3.16Å; N53-N56 WeakPolarHBondContact OD1-CB 3.33Å; N53-N56 PolarHBondContact OD1-N 3.2Å; N56-E58 VanDerWaalsContact C-N 3.26Å; N56-E58 PolarHBondContact O-N 3.49Å; N56-T59 PolarHBondContact O-N 2.84Å; N56-T59 PolarHBondContact O-OG1 2.99Å; N56-T59 PolarHBondContact OD1-OG1 2.67Å; N56-T59 VanDerWaalsContact OD1-OG1 3.09Å; N56-M60 PolarHBondContact ND2-SD 2.8Å; N56-M60 WeakPolarHBondContact O-CG 2.98Å; N56-M60 PolarHBondContact O-N 3.4Å
57	C	90.6	Very high	90.9	Very high	2 Å²	2	64 Å²	64	1%	0.014	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-29.6	-171.1	66.8	0	0	0	0	114	N53 T59 M60 L65 Y290 C292	N53-C57 VanDerWaalsContact O-CB 3.27Å; N53-C57 WeakPolarHBondContact O-CB 3.49Å; N53-C57 PolarHBondContact O-N 2.93Å; C57-T59 PolarHBondContact O-N 3.48Å; C57-M60 PolarHBondContact O-N 3.45Å; C57-L65 HydrophobicContact CB-CD2 4.15Å; C57-L65 WeakPolarHBondContact O-CD1 3.09Å; C57-Y290 HydrophobicContact CB-CD1 3.84Å; C57-Y290 HydrophobicContact CB-CE1 3.58Å; C57-C292 VanDerWaalsContact C-SG 3.5Å; C57-C292 HydrophobicContact CB-CB 3.64Å; C57-C292 WeakPolarHBondContact CB-SG 3.32Å; C57-C292 WeakPolarHBondContact SG-CB 3.4Å; C57-C292 CovalentContact SG-SG 2.04Å; C57-C292 PolarHBondContact SG-SG 3.07Å
58	E	86.9	Confident	90.9	Very high	149 Å²	149	59 Å²	59	70%	0.696	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-36.6	179.9	-63.3	-173.6	171.3	0	0	112.8	N56 K218	N56-E58 VanDerWaalsContact C-N 3.26Å; N56-E58 PolarHBondContact O-N 3.49Å; E58-K218 PolarHBondContact O-NZ 3.24Å
59	T	90.3	Very high	90.7	Very high	112 Å²	112	58.8 Å²	58.8	69%	0.687	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-23.1	-179	58.6	0	0	0	0	112.7	N56 C57	N56-T59 PolarHBondContact O-N 2.84Å; N56-T59 PolarHBondContact O-OG1 2.99Å; N56-T59 PolarHBondContact OD1-OG1 2.67Å; N56-T59 VanDerWaalsContact OD1-OG1 3.09Å; C57-T59 PolarHBondContact O-N 3.48Å
60	M	90.3	Very high	90.6	Very high	19 Å²	19	61.9 Å²	61.9	9%	0.094	35%	0.348	C	S	.	.	S	Bend	trans	-66	156	179	-71.3	178.9	75.1	0	0	113.1	A52 N56 C57 D64 L65 K218	A52-M60 HydrophobicContact CB-SD 4.45Å; N56-M60 PolarHBondContact ND2-SD 2.8Å; N56-M60 WeakPolarHBondContact O-CG 2.98Å; N56-M60 PolarHBondContact O-N 3.4Å; C57-M60 PolarHBondContact O-N 3.45Å; M60-D64 HydrophobicContact CE-CB 3.53Å; M60-L65 HydrophobicContact CB-CD1 4.42Å; M60-L65 HydrophobicContact CB-CD2 4.1Å; M60-L65 HydrophobicContact CB-CG 4.12Å; M60-L65 HydrophobicContact CE-CD2 4.27Å; M60-L65 HydrophobicContact SD-CD2 4.04Å; M60-K218 PolarHBondContact O-NZ 3.4Å
61	S	89.9	Confident	90.5	Very high	53 Å²	53	56.9 Å²	56.9	37%	0.371	32%	0.321	S	S	.	.			trans	-77.6	156.3	175.4	82.8	0	0	0	0	111.3	A63 D64 L65	S61-A63 PolarHBondContact O-N 2.88Å; S61-D64 WeakPolarHBondContact CB-OD2 3.24Å; S61-D64 PolarHBondContact O-N 2.88Å; S61-D64 VanDerWaalsContact O-N 3.09Å; S61-D64 PolarHBondContact OG-N 2.88Å; S61-D64 PolarHBondContact OG-OD2 3.05Å; S61-L65 PolarHBondContact O-N 2.95Å
62	E	85.1	Confident	90.3	Very high	85 Å²	85	52.6 Å²	52.6	40%	0.397	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34	175.8	-177.9	-178.7	-169.3	0	0	112.4	D64 L65 R66	E62-D64 VanDerWaalsContact C-N 3.33Å; E62-L65 PolarHBondContact O-N 2.83Å; E62-R66 VanDerWaalsContact CG-NH1 3.26Å; E62-R66 WeakPolarHBondContact O-CG 3.48Å; E62-R66 IonicContact OE1-CZ 3.62Å; E62-R66 IonicContact OE1-NH1 2.79Å; E62-R66 PolarHBondContact OE1-NH1 3.18Å; E62-R66 IonicContact OE1-NH2 2.77Å; E62-R66 PolarHBondContact OE1-NH2 3.13Å
63	A	87.3	Confident	90	Very high	67 Å²	67	53 Å²	53	55%	0.554	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-32.4	177	0	0	0	0	0	112.1	K48 S61	K48-A63 WeakPolarHBondContact CE-O 3.25Å; K48-A63 PolarHBondContact NZ-O 2.79Å; S61-A63 PolarHBondContact O-N 2.88Å
64	D	90.7	Very high	89.6	Confident	72 Å²	72	52.5 Å²	52.5	39%	0.385	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-28.6	178.4	-58.8	-42.9	0	0	0	112.2	K48 M60 S61 E62 R66	K48-D64 WeakPolarHBondContact CE-O 3.34Å; M60-D64 HydrophobicContact CE-CB 3.53Å; S61-D64 WeakPolarHBondContact CB-OD2 3.24Å; S61-D64 PolarHBondContact O-N 2.88Å; S61-D64 VanDerWaalsContact O-N 3.09Å; S61-D64 PolarHBondContact OG-N 2.88Å; S61-D64 PolarHBondContact OG-OD2 3.05Å; E62-D64 VanDerWaalsContact C-N 3.33Å; D64-R66 VanDerWaalsContact C-N 3.29Å; D64-R66 PolarHBondContact O-N 2.71Å
65	L	92.1	Very high	89.6	Confident	7 Å²	7	51 Å²	51	4%	0.037	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	8.8	178.3	-60.7	175.3	0	0	0	113.8	A52 C57 M60 S61 E62 Y289 Y290 W298	A52-L65 HydrophobicContact CB-CD2 4.17Å; C57-L65 HydrophobicContact CB-CD2 4.15Å; C57-L65 WeakPolarHBondContact O-CD1 3.09Å; M60-L65 HydrophobicContact CB-CD1 4.42Å; M60-L65 HydrophobicContact CB-CD2 4.1Å; M60-L65 HydrophobicContact CB-CG 4.12Å; M60-L65 HydrophobicContact CE-CD2 4.27Å; M60-L65 HydrophobicContact SD-CD2 4.04Å; S61-L65 PolarHBondContact O-N 2.95Å; E62-L65 PolarHBondContact O-N 2.83Å; L65-Y289 CarbonylContact O-C 3.58Å; L65-Y289 VanDerWaalsContact O-CA 3.26Å; L65-Y289 WeakPolarHBondContact O-CA 3.26Å; L65-Y290 HydrophobicContact CD2-CD1 4.11Å; L65-Y290 HydrophobicContact CD2-CG 4.35Å; L65-Y290 PolarHBondContact O-N 3.05Å; L65-W298 WeakPolarHBondContact O-CZ3 3.29Å
66	R	91.9	Very high	89.5	Confident	20 Å²	20	43.7 Å²	43.7	8%	0.075	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-129.2	139.3	178	-68.8	-172.3	-174.4	141.6	9.8	112.4	K48 E62 D64 K218	K48-R66 VanDerWaalsContact CE-O 3.29Å; K48-R66 WeakPolarHBondContact CE-O 3.16Å; K48-R66 PolarHBondContact NZ-O 2.59Å; E62-R66 VanDerWaalsContact CG-NH1 3.26Å; E62-R66 WeakPolarHBondContact O-CG 3.48Å; E62-R66 IonicContact OE1-CZ 3.62Å; E62-R66 IonicContact OE1-NH1 2.79Å; E62-R66 PolarHBondContact OE1-NH1 3.18Å; E62-R66 IonicContact OE1-NH2 2.77Å; E62-R66 PolarHBondContact OE1-NH2 3.13Å; D64-R66 VanDerWaalsContact C-N 3.29Å; D64-R66 PolarHBondContact O-N 2.71Å; R66-K218 PolarHBondContact NH2-O 3.08Å
67	L	93.2	Very high	89.3	Confident	1 Å²	1	44 Å²	44	1%	0.005	25%	0.248	C	C	.	.			trans	-85.4	159.2	173.4	-59.3	-169.9	0	0	0	111.2	I45 K48 M49 P288 W298 F334	I45-L67 HydrophobicContact CG2-CD1 3.86Å; I45-L67 HydrophobicContact CG2-CD2 4.14Å; K48-L67 HydrophobicContact CD-CD2 4.11Å; K48-L67 HydrophobicContact CG-CD2 4.5Å; M49-L67 HydrophobicContact CG-CD1 4.32Å; M49-L67 HydrophobicContact CG-CD2 4.12Å; M49-L67 HydrophobicContact SD-CD1 3.99Å; L67-P288 HydrophobicContact CB-CB 4.05Å; L67-P288 HydrophobicContact CB-CG 4.17Å; L67-P288 HydrophobicContact CD1-CB 3.79Å; L67-P288 HydrophobicContact CD1-CG 4.2Å; L67-P288 HydrophobicContact CG-CB 4.01Å; L67-P288 PolarHBondContact N-O 2.89Å; L67-W298 HydrophobicContact CD1-CE3 4.38Å; L67-W298 HydrophobicContact CD1-CZ3 4.49Å; L67-W298 HydrophobicContact CD2-CE3 4.32Å; L67-W298 HydrophobicContact CD2-CH2 3.87Å; L67-W298 HydrophobicContact CD2-CZ3 3.71Å; L67-W298 HydrophobicContact CG-CE3 3.99Å; L67-W298 HydrophobicContact CG-CH2 4.33Å; L67-W298 HydrophobicContact CG-CZ3 3.65Å; L67-F334 HydrophobicContact CD1-CD1 4.09Å; L67-F334 HydrophobicContact CD1-CE1 3.58Å; L67-F334 HydrophobicContact CD1-CZ 3.89Å
68	P	92.4	Very high	89.3	Confident	36 Å²	36	44.8 Å²	44.8	23%	0.234	25%	0.251	C	S	.	.			trans	-55.8	149.2	173.3	-24.5	34.6	0	0	0	112.1	T70 S71 Y352	P68-T70 VanDerWaalsContact C-N 3.27Å; P68-T70 PolarHBondContact O-N 3.16Å; P68-S71 VanDerWaalsContact O-CB 3.26Å; P68-S71 WeakPolarHBondContact O-CB 3.17Å; P68-S71 PolarHBondContact O-N 2.74Å; P68-S71 PolarHBondContact O-OG 3.5Å; P68-Y352 HydrophobicContact CB-CD2 4.11Å; P68-Y352 HydrophobicContact CB-CE2 4.46Å; P68-Y352 HydrophobicContact CB-CG 4.49Å; P68-Y352 HydrophobicContact CG-CD2 4.08Å; P68-Y352 HydrophobicContact CG-CE2 3.98Å; P68-Y352 HydrophobicContact CG-CG 4.5Å
69	P	89	Confident	89.3	Confident	46 Å²	46	38.9 Å²	38.9	30%	0.299	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-61.2	-32.1	-175.4	22.6	-32.8	0	0	0	114.3	S71 E227 M228 R287	P69-S71 VanDerWaalsContact C-N 3.3Å; P69-S71 PolarHBondContact O-N 2.85Å; P69-E227 WeakPolarHBondContact CD-OE2 3.26Å; P69-M228 HydrophobicContact CB-SD 3.9Å; P69-R287 HydrophobicContact CB-CG 4.1Å
70	T	90.8	Very high	89.1	Confident	67 Å²	67	36 Å²	36	41%	0.411	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-89.8	12.8	179.2	57.4	0	0	0	0	113.5	P68 L72 H351 Y352	P68-T70 VanDerWaalsContact C-N 3.27Å; P68-T70 PolarHBondContact O-N 3.16Å; T70-L72 VanDerWaalsContact C-N 3.29Å; T70-H351 WeakPolarHBondContact O-CB 3.26Å; T70-Y352 WeakPolarHBondContact O-CB 3.4Å; T70-Y352 PolarHBondContact O-N 3.43Å; T70-Y352 PolarHBondContact OG1-N 2.94Å
71	S	90.4	Very high	89	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.014	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-68.1	-32.6	170.7	56.8	0	0	0	0	112	P68 P69 P288	P68-S71 VanDerWaalsContact O-CB 3.26Å; P68-S71 WeakPolarHBondContact O-CB 3.17Å; P68-S71 PolarHBondContact O-N 2.74Å; P68-S71 PolarHBondContact O-OG 3.5Å; P69-S71 VanDerWaalsContact C-N 3.3Å; P69-S71 PolarHBondContact O-N 2.85Å; S71-P288 WeakPolarHBondContact OG-CD 3.08Å; S71-P288 WeakPolarHBondContact OG-CG 3.06Å
72	L	88.5	Confident	88.6	Confident	10 Å²	10	36.5 Å²	36.5	5%	0.052	21%	0.205	C	C	.	.	S	Bend	trans	-95.3	118.3	171.2	-175.5	66.8	0	0	0	109.1	T70 I75 L93 V300 I337	T70-L72 VanDerWaalsContact C-N 3.29Å; L72-I75 HydrophobicContact CB-CD1 4.35Å; L72-I75 HydrophobicContact CB-CG1 4.48Å; L72-I75 HydrophobicContact CD2-CD1 3.81Å; L72-I75 HydrophobicContact CD2-CG1 3.7Å; L72-I75 HydrophobicContact CG-CD1 4.07Å; L72-I75 HydrophobicContact CG-CG1 3.76Å; L72-L93 HydrophobicContact CD1-CD1 4.04Å; L72-V300 HydrophobicContact CD2-CG1 3.78Å; L72-V300 HydrophobicContact CD2-CG2 4.47Å; L72-I337 HydrophobicContact CD1-CD1 4.03Å; L72-I337 HydrophobicContact CD1-CG2 3.72Å
73	S	86	Confident	88.4	Confident	17 Å²	17	40 Å²	40	12%	0.119	22%	0.224	C	C	.	.			trans	-104.2	163.1	176.4	65.7	0	0	0	0	112.1	I75 H351	S73-I75 VanDerWaalsContact C-N 3.33Å; S73-I75 PolarHBondContact O-N 3.08Å; S73-H351 WeakPolarHBondContact CB-CD2 3.45Å; S73-H351 PolarHBondContact OG-NE2 2.98Å
74	Q	82.9	Confident	88	Confident	55 Å²	55	41.6 Å²	41.6	26%	0.257	22%	0.215	S	C	.	.	S	Bend	trans	54.5	41.6	176.2	-58.2	-175.8	-18.1	0	0	114.9	G347	Q74-G347 PolarHBondContact NE2-O 3.38Å; Q74-G347 VanDerWaalsContact NE2-O 3.15Å
75	I	89.1	Confident	87.1	Confident	34 Å²	34	42.6 Å²	42.6	17%	0.174	22%	0.218	C	C	.	.			trans	-62.7	133.2	177.1	-59	173.7	0	0	0	110	L72 S73 Q77 M228 F285	L72-I75 HydrophobicContact CB-CD1 4.35Å; L72-I75 HydrophobicContact CB-CG1 4.48Å; L72-I75 HydrophobicContact CD2-CD1 3.81Å; L72-I75 HydrophobicContact CD2-CG1 3.7Å; L72-I75 HydrophobicContact CG-CD1 4.07Å; L72-I75 HydrophobicContact CG-CG1 3.76Å; S73-I75 VanDerWaalsContact C-N 3.33Å; S73-I75 PolarHBondContact O-N 3.08Å; I75-Q77 PolarHBondContact O-N 3.5Å; I75-M228 HydrophobicContact CD1-CE 3.83Å; I75-F285 HydrophobicContact CG2-CB 4.02Å; I75-F285 HydrophobicContact CG2-CD2 3.23Å; I75-F285 HydrophobicContact CG2-CE2 3.77Å; I75-F285 HydrophobicContact CG2-CG 3.68Å
76	P	90.2	Very high	86.2	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.013	22%	0.22	C	C	.	.			trans	-66.7	123	175.6	24.3	-30.4	0	0	0	111	I81 W86 L93 L94 H97 F285	P76-I81 HydrophobicContact CB-CD1 4.22Å; P76-I81 HydrophobicContact CB-CG1 4.2Å; P76-W86 HydrophobicContact CB-CH2 3.43Å; P76-W86 VanDerWaalsContact CB-CH2 3.43Å; P76-W86 HydrophobicContact CB-CZ2 3.67Å; P76-W86 HydrophobicContact CB-CZ3 4.22Å; P76-W86 HydrophobicContact CG-CH2 4.24Å; P76-L93 HydrophobicContact CG-CB 4.19Å; P76-L94 HydrophobicContact CB-CD1 4.26Å; P76-H97 HydrophobicContact CB-CB 4.47Å; P76-H97 HydrophobicContact CG-CB 3.98Å; P76-F285 HydrophobicContact CG-CE2 3.67Å; P76-F285 HydrophobicContact CG-CZ 3.65Å
77	Q	88.8	Confident	85.1	Confident	67 Å²	67	46.6 Å²	46.6	31%	0.313	24%	0.235	S	C	.	.			trans	-109.7	130.4	172	-53.8	-174.3	-0.3	0	0	108.9	I75 N79 E80 I81 L281	I75-Q77 PolarHBondContact O-N 3.5Å; Q77-N79 WeakPolarHBondContact CB-OD1 3.18Å; Q77-N79 PolarHBondContact O-N 3.23Å; Q77-N79 VanDerWaalsContact O-N 3.13Å; Q77-E80 HydrophobicContact CB-CB 4.36Å; Q77-E80 HydrophobicContact CB-CG 4.21Å; Q77-E80 WeakPolarHBondContact CB-OE2 3.33Å; Q77-E80 VanDerWaalsContact CD-OE2 3.22Å; Q77-E80 WeakPolarHBondContact CG-OE2 3.35Å; Q77-E80 PolarHBondContact O-N 3.1Å; Q77-E80 PolarHBondContact OE1-OE2 3.45Å; Q77-I81 WeakPolarHBondContact O-CG1 3.34Å; Q77-I81 PolarHBondContact O-N 3.05Å; Q77-L281 HydrophobicContact CB-CD1 4.09Å; Q77-L281 HydrophobicContact CB-CD2 4.15Å; Q77-L281 HydrophobicContact CG-CD1 3.99Å
78	Y	89.5	Confident	83.8	Confident	20 Å²	20	48.7 Å²	48.7	8%	0.078	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-42.9	-173.6	-179.9	-90.1	0	0	0	114.3	E80 L101 A273 P274 P282 F682	Y78-E80 VanDerWaalsContact C-N 3.35Å; Y78-E80 PolarHBondContact O-N 2.84Å; Y78-L101 HydrophobicContact CD2-CD2 3.96Å; Y78-L101 HydrophobicContact CE2-CD2 3.86Å; Y78-A273 HydrophobicContact CE1-CB 4.2Å; Y78-P274 HydrophobicContact CD1-CG 3.86Å; Y78-P282 HydrophobicContact CD1-CG 4.2Å; Y78-P282 HydrophobicContact CD2-CG 3.66Å; Y78-P282 HydrophobicContact CE2-CG 4.41Å; Y78-P282 HydrophobicContact CG-CG 3.54Å; Y78-F682 HydrophobicContact CD2-CE2 4.25Å; Y78-F682 HydrophobicContact CD2-CZ 4.14Å; Y78-F682 HydrophobicContact CE1-CZ 4.07Å; Y78-F682 HydrophobicContact CE2-CE2 4.03Å; Y78-F682 AromaticContact CE2-CZ 3.57Å; Y78-F682 HydrophobicContact CE2-CZ 3.57Å; Y78-F682 AromaticContact CZ-CZ 3.53Å
79	N	87.9	Confident	82.2	Confident	25 Å²	25	51.3 Å²	51.3	13%	0.134	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-27.1	179.1	56.9	-24.4	0	0	0	114.1	Q77 V276	Q77-N79 WeakPolarHBondContact CB-OD1 3.18Å; Q77-N79 PolarHBondContact O-N 3.23Å; Q77-N79 VanDerWaalsContact O-N 3.13Å; N79-V276 PolarHBondContact ND2-O 2.84Å
80	E	85.4	Confident	81.2	Confident	50 Å²	50	51.1 Å²	51.1	23%	0.234	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-18.4	-176.6	-59.5	178.4	131	0	0	112.8	Q77 Y78 M83 R84	Q77-E80 HydrophobicContact CB-CB 4.36Å; Q77-E80 HydrophobicContact CB-CG 4.21Å; Q77-E80 WeakPolarHBondContact CB-OE2 3.33Å; Q77-E80 VanDerWaalsContact CD-OE2 3.22Å; Q77-E80 WeakPolarHBondContact CG-OE2 3.35Å; Q77-E80 PolarHBondContact O-N 3.1Å; Q77-E80 PolarHBondContact OE1-OE2 3.45Å; Y78-E80 VanDerWaalsContact C-N 3.35Å; Y78-E80 PolarHBondContact O-N 2.84Å; E80-M83 PolarHBondContact O-N 2.71Å; E80-R84 HydrophobicContact CB-CG 4.14Å; E80-R84 WeakPolarHBondContact O-CB 3.04Å; E80-R84 WeakPolarHBondContact O-CG 3.44Å; E80-R84 PolarHBondContact O-N 2.68Å; E80-R84 IonicContact OE1-CZ 3.65Å; E80-R84 IonicContact OE1-NE 2.87Å; E80-R84 IonicContact OE1-NH2 3.41Å; E80-R84 PolarHBondContact OE1-NH2 2.8Å; E80-R84 IonicContact OE2-CZ 3.34Å; E80-R84 IonicContact OE2-NE 2.66Å; E80-R84 PolarHBondContact OE2-NE 2.73Å; E80-R84 IonicContact OE2-NH1 3.01Å; E80-R84 PolarHBondContact OE2-NH1 2.87Å; E80-R84 IonicContact OE2-NH2 3.84Å; E80-R84 PolarHBondContact OE2-NH2 3.41Å
81	I	87.2	Confident	80.5	Confident	12 Å²	12	49 Å²	49	6%	0.062	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-47.2	-177.1	-73.3	164.2	0	0	0	112.7	P76 Q77 M83 W86 L94 H97 F682	P76-I81 HydrophobicContact CB-CD1 4.22Å; P76-I81 HydrophobicContact CB-CG1 4.2Å; Q77-I81 WeakPolarHBondContact O-CG1 3.34Å; Q77-I81 PolarHBondContact O-N 3.05Å; I81-M83 VanDerWaalsContact C-N 3.25Å; I81-M83 PolarHBondContact O-N 2.62Å; I81-W86 HydrophobicContact CG1-CZ2 4.2Å; I81-W86 PolarHBondContact O-NE1 3.46Å; I81-L94 HydrophobicContact CD1-CD1 3.64Å; I81-L94 HydrophobicContact CG1-CD1 3.88Å; I81-L94 HydrophobicContact CG2-CD1 4.01Å; I81-H97 VanDerWaalsContact CD1-CE1 3.42Å; I81-H97 WeakPolarHBondContact CD1-CE1 3.31Å; I81-F682 HydrophobicContact CB-CD2 4.37Å; I81-F682 HydrophobicContact CB-CE2 4.25Å; I81-F682 HydrophobicContact CG2-CD2 3.78Å; I81-F682 HydrophobicContact CG2-CE2 4.16Å
82	P	81.7	Confident	80.4	Confident	72 Å²	72	52 Å²	52	47%	0.468	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.3	-179.6	-20.8	34.3	0	0	0	113.9	F682	P82-F682 HydrophobicContact CG-CD1 4.44Å; P82-F682 HydrophobicContact CG-CD2 4.18Å; P82-F682 HydrophobicContact CG-CE1 4.34Å; P82-F682 HydrophobicContact CG-CE2 4.07Å; P82-F682 HydrophobicContact CG-CG 4.35Å; P82-F682 HydrophobicContact CG-CZ 4.14Å
83	M	80.8	Confident	80.5	Confident	159 Å²	159	52.4 Å²	52.4	78%	0.783	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-23.7	-175.7	-60.9	-60.6	-64.5	0	0	112.9	E80 I81	E80-M83 PolarHBondContact O-N 2.71Å; I81-M83 VanDerWaalsContact C-N 3.25Å; I81-M83 PolarHBondContact O-N 2.62Å
84	R	78.9	Confident	80.8	Confident	99 Å²	99	52.2 Å²	52.2	37%	0.374	26%	0.258	S	S	.	.	S	Bend	trans	-91.3	145.5	-176.4	-76.8	-174.3	172.8	173.6	2.3	112.6	E80 W86	E80-R84 HydrophobicContact CB-CG 4.14Å; E80-R84 WeakPolarHBondContact O-CB 3.04Å; E80-R84 WeakPolarHBondContact O-CG 3.44Å; E80-R84 PolarHBondContact O-N 2.68Å; E80-R84 IonicContact OE1-CZ 3.65Å; E80-R84 IonicContact OE1-NE 2.87Å; E80-R84 IonicContact OE1-NH2 3.41Å; E80-R84 PolarHBondContact OE1-NH2 2.8Å; E80-R84 IonicContact OE2-CZ 3.34Å; E80-R84 IonicContact OE2-NE 2.66Å; E80-R84 PolarHBondContact OE2-NE 2.73Å; E80-R84 IonicContact OE2-NH1 3.01Å; E80-R84 PolarHBondContact OE2-NH1 2.87Å; E80-R84 IonicContact OE2-NH2 3.84Å; E80-R84 PolarHBondContact OE2-NH2 3.41Å; R84-W86 VanDerWaalsContact O-CD1 3.3Å
85	Q	72.7	Confident	81.2	Confident	93 Å²	93	49.9 Å²	49.9	44%	0.435	25%	0.247	S	C	.	.			trans	-82.4	115.7	173.8	-164.2	177	3.8	0	0	111.2	P871 R872	Q85-P871 PolarHBondContact NE2-O 3.03Å; Q85-R872 HydrophobicContact CG-CB 3.39Å; Q85-R872 HydrophobicContact CG-CG 4.02Å
86	W	72.8	Confident	81.4	Confident	25 Å²	25	48.3 Å²	48.3	10%	0.095	24%	0.239	C	C	.	.			trans	-102.4	113.9	177.1	-64.1	93.5	0	0	0	111.2	P76 I81 R84 L94	P76-W86 HydrophobicContact CB-CH2 3.43Å; P76-W86 VanDerWaalsContact CB-CH2 3.43Å; P76-W86 HydrophobicContact CB-CZ2 3.67Å; P76-W86 HydrophobicContact CB-CZ3 4.22Å; P76-W86 HydrophobicContact CG-CH2 4.24Å; I81-W86 HydrophobicContact CG1-CZ2 4.2Å; I81-W86 PolarHBondContact O-NE1 3.46Å; R84-W86 VanDerWaalsContact O-CD1 3.3Å; W86-L94 HydrophobicContact CB-CD2 4.41Å; W86-L94 HydrophobicContact CD2-CD2 4.26Å; W86-L94 HydrophobicContact CG-CD2 4.02Å
87	F	69.5	Low	81.6	Confident	86 Å²	86	48.2 Å²	48.2	38%	0.377	24%	0.238	S	C	.	.			trans	-69.3	142.1	173.8	-60.7	-70.8	0	0	0	111.2	N89 R90 S91 P871	F87-N89 PolarHBondContact O-N 3.44Å; F87-R90 CarbonylContact O-C 3.53Å; F87-R90 WeakPolarHBondContact O-CA 3.32Å; F87-R90 PolarHBondContact O-N 3.02Å; F87-S91 PolarHBondContact O-N 2.82Å; F87-P871 HydrophobicContact CD1-CG 3.64Å; F87-P871 HydrophobicContact CE1-CG 3.88Å
88	A	64.7	Low	81.9	Confident	46 Å²	46	45.4 Å²	45.4	38%	0.38	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-50.8	-36.5	-178.5	0	0	0	0	0	113.4	R90 S91	A88-R90 PolarHBondContact O-N 2.66Å; A88-S91 VanDerWaalsContact O-CB 3.26Å; A88-S91 WeakPolarHBondContact O-CB 3.4Å; A88-S91 PolarHBondContact O-N 3.29Å; A88-S91 PolarHBondContact O-OG 2.8Å
89	N	59.2	Low	82.2	Confident	90 Å²	90	44.7 Å²	44.7	48%	0.481	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-76.9	-18.8	179.1	-63.6	-26.8	0	0	0	114	F87 P369	F87-N89 PolarHBondContact O-N 3.44Å; N89-P369 HydrophobicContact CB-CB 3.45Å; N89-P369 VanDerWaalsContact CB-CB 3.45Å; N89-P369 HydrophobicContact CB-CG 4.33Å; N89-P369 VanDerWaalsContact ND2-CB 3.25Å; N89-P369 WeakPolarHBondContact ND2-CB 3.15Å; N89-P369 WeakPolarHBondContact ND2-CG 3.41Å
90	R	68.5	Low	82.6	Confident	43 Å²	43	43.5 Å²	43.5	16%	0.162	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-98.1	13.6	175.4	-67.6	-172.4	177.4	166.4	3.3	112.8	F87 A88 K92	F87-R90 CarbonylContact O-C 3.53Å; F87-R90 WeakPolarHBondContact O-CA 3.32Å; F87-R90 PolarHBondContact O-N 3.02Å; A88-R90 PolarHBondContact O-N 2.66Å; R90-K92 VanDerWaalsContact C-N 3.31Å; R90-K92 PolarHBondContact O-N 2.93Å
91	S	76.8	Confident	83.1	Confident	21 Å²	21	41.2 Å²	41.2	15%	0.147	21%	0.206	C	C	.	.	H	α-helix	trans	-73.3	-16.2	-179.2	62.5	0	0	0	0	114.4	F87 A88 L94 H95 M631	F87-S91 PolarHBondContact O-N 2.82Å; A88-S91 VanDerWaalsContact O-CB 3.26Å; A88-S91 WeakPolarHBondContact O-CB 3.4Å; A88-S91 PolarHBondContact O-N 3.29Å; A88-S91 PolarHBondContact O-OG 2.8Å; S91-L94 WeakPolarHBondContact O-CB 2.92Å; S91-L94 PolarHBondContact O-N 3.27Å; S91-H95 PolarHBondContact O-N 2.73Å; S91-M631 WeakPolarHBondContact OG-CG 3.3Å
92	K	87.8	Confident	83.5	Confident	66 Å²	66	40.7 Å²	40.7	29%	0.287	20%	0.203	S	C	.	.	H	α-helix	trans	-62.5	-46.8	-175.6	-63.2	-177.1	-172.5	171.8	0	113.1	R90 L94 H95 L96 V144 M332	R90-K92 VanDerWaalsContact C-N 3.31Å; R90-K92 PolarHBondContact O-N 2.93Å; K92-L94 VanDerWaalsContact C-N 3.29Å; K92-L94 PolarHBondContact O-N 3.34Å; K92-H95 WeakPolarHBondContact O-CB 3.36Å; K92-H95 PolarHBondContact O-N 3.24Å; K92-L96 PolarHBondContact O-N 3.12Å; K92-V144 HydrophobicContact CB-CG1 4.08Å; K92-V144 HydrophobicContact CD-CG2 4.41Å; K92-V144 HydrophobicContact CG-CG1 4.37Å; K92-V144 HydrophobicContact CG-CG2 4.13Å; K92-M332 HydrophobicContact CB-CE 4.03Å; K92-M332 VanDerWaalsContact O-CE 3.28Å; K92-M332 WeakPolarHBondContact O-CE 3.4Å
93	L	90.4	Very high	84.2	Confident	18 Å²	18	37.3 Å²	37.3	9%	0.094	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-37.6	177.7	-71.2	174.3	0	0	0	111.2	L72 P76 L96 H97 F285 M332 I337	L72-L93 HydrophobicContact CD1-CD1 4.04Å; P76-L93 HydrophobicContact CG-CB 4.19Å; L93-L96 WeakPolarHBondContact O-CB 3.12Å; L93-L96 PolarHBondContact O-N 3.34Å; L93-H97 PolarHBondContact O-N 2.9Å; L93-F285 HydrophobicContact CD2-CE1 3.95Å; L93-F285 WeakPolarHBondContact O-CZ 3.45Å; L93-M332 HydrophobicContact CD2-CE 4.14Å; L93-M332 HydrophobicContact CD2-SD 3.94Å; L93-I337 HydrophobicContact CD1-CG2 4.31Å; L93-I337 HydrophobicContact CD2-CD1 3.99Å; L93-I337 HydrophobicContact CD2-CG1 4.47Å
94	L	91.3	Very high	85	Confident	14 Å²	14	29.7 Å²	29.7	7%	0.073	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-40.6	174.7	-179.3	62.9	0	0	0	111.5	P76 I81 W86 S91 K92 H97 N98	P76-L94 HydrophobicContact CB-CD1 4.26Å; I81-L94 HydrophobicContact CD1-CD1 3.64Å; I81-L94 HydrophobicContact CG1-CD1 3.88Å; I81-L94 HydrophobicContact CG2-CD1 4.01Å; W86-L94 HydrophobicContact CB-CD2 4.41Å; W86-L94 HydrophobicContact CD2-CD2 4.26Å; W86-L94 HydrophobicContact CG-CD2 4.02Å; S91-L94 WeakPolarHBondContact O-CB 2.92Å; S91-L94 PolarHBondContact O-N 3.27Å; K92-L94 VanDerWaalsContact C-N 3.29Å; K92-L94 PolarHBondContact O-N 3.34Å; L94-H97 WeakPolarHBondContact O-CB 2.98Å; L94-H97 PolarHBondContact O-N 3.42Å; L94-N98 WeakPolarHBondContact O-CB 3.47Å; L94-N98 VanDerWaalsContact O-CG 3.27Å; L94-N98 PolarHBondContact O-N 3.1Å
95	H	92.1	Very high	85.8	Confident	6 Å²	6	25.2 Å²	25.2	3%	0.028	13%	0.127	C	C	.	.	H	α-helix	trans	-62.2	-43.6	174.1	-174.1	73.4	0	0	0	111.7	S91 K92 H97 N98 L99 M631	S91-H95 PolarHBondContact O-N 2.73Å; K92-H95 WeakPolarHBondContact O-CB 3.36Å; K92-H95 PolarHBondContact O-N 3.24Å; H95-H97 PolarHBondContact O-N 2.79Å; H95-N98 PolarHBondContact O-N 3.4Å; H95-L99 WeakPolarHBondContact O-CB 3.21Å; H95-L99 PolarHBondContact O-N 3.31Å; H95-M631 HydrophobicContact CB-CB 3.97Å; H95-M631 HydrophobicContact CB-CG 3.94Å; H95-M631 HydrophobicContact CB-SD 3.8Å; H95-M631 PolarHBondContact CE1-O 2.77Å; H95-M631 PolarHBondContact ND1-O 3.18Å
96	L	93.7	Very high	86.9	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.3	-46.7	175.9	-157.7	76.2	0	0	0	111.3	K92 L93 L99 A100 I145 F285 S302 Q330 M332	K92-L96 PolarHBondContact O-N 3.12Å; L93-L96 WeakPolarHBondContact O-CB 3.12Å; L93-L96 PolarHBondContact O-N 3.34Å; L96-L99 PolarHBondContact O-N 2.82Å; L96-A100 PolarHBondContact O-N 3.24Å; L96-I145 HydrophobicContact CD1-CG1 4.23Å; L96-F285 HydrophobicContact CB-CE1 4.49Å; L96-F285 HydrophobicContact CD2-CD1 4.5Å; L96-F285 HydrophobicContact CD2-CE1 3.88Å; L96-S302 WeakPolarHBondContact CG-OG 3.24Å; L96-S302 PolarHBondContact O-OG 3.45Å; L96-S302 VanDerWaalsContact O-OG 3.11Å; L96-Q330 HydrophobicContact CD1-CB 3.65Å; L96-Q330 WeakPolarHBondContact CD2-O 3.49Å; L96-Q330 HydrophobicContact CG-CB 4Å; L96-M332 HydrophobicContact CB-CE 3.68Å; L96-M332 HydrophobicContact CD1-CB 4.44Å; L96-M332 HydrophobicContact CD1-CE 3.99Å; L96-M332 HydrophobicContact CD2-CE 3.89Å; L96-M332 HydrophobicContact CD2-CG 4.2Å; L96-M332 HydrophobicContact CG-CE 4.05Å
97	H	94.8	Very high	88.1	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-56.2	-53.8	174.7	168.8	-78.3	0	0	0	112	P76 I81 L93 L94 H95 L99 A100 L101 V283 F285	P76-H97 HydrophobicContact CB-CB 4.47Å; P76-H97 HydrophobicContact CG-CB 3.98Å; I81-H97 VanDerWaalsContact CD1-CE1 3.42Å; I81-H97 WeakPolarHBondContact CD1-CE1 3.31Å; L93-H97 PolarHBondContact O-N 2.9Å; L94-H97 WeakPolarHBondContact O-CB 2.98Å; L94-H97 PolarHBondContact O-N 3.42Å; H95-H97 PolarHBondContact O-N 2.79Å; H97-L99 VanDerWaalsContact C-N 3.33Å; H97-L99 PolarHBondContact O-N 3Å; H97-A100 PolarHBondContact O-N 3.33Å; H97-L101 WeakPolarHBondContact O-CB 3.35Å; H97-L101 PolarHBondContact O-N 2.76Å; H97-L101 VanDerWaalsContact O-N 3.08Å; H97-V283 HydrophobicContact CB-CG1 4.44Å; H97-V283 VanDerWaalsContact CD2-CB 3.4Å; H97-V283 WeakPolarHBondContact CD2-CB 3.46Å; H97-F285 HydrophobicContact CB-CE2 4.1Å; H97-F285 HydrophobicContact CB-CZ 3.92Å
98	N	94.6	Very high	89.3	Confident	9 Å²	9	15.6 Å²	15.6	5%	0.048	8%	0.084	C	C	.	.	H	α-helix	trans	-66.1	-36.2	-175.8	-68.9	-7.3	0	0	0	111.7	L94 H95 L101 N102 S680	L94-N98 WeakPolarHBondContact O-CB 3.47Å; L94-N98 VanDerWaalsContact O-CG 3.27Å; L94-N98 PolarHBondContact O-N 3.1Å; H95-N98 PolarHBondContact O-N 3.4Å; N98-L101 PolarHBondContact O-N 2.81Å; N98-N102 VanDerWaalsContact O-CB 3.26Å; N98-N102 WeakPolarHBondContact O-CB 3.17Å; N98-N102 PolarHBondContact O-N 3.24Å; N98-S680 WeakPolarHBondContact O-CB 3.26Å; N98-S680 PolarHBondContact OD1-O 3.19Å
99	L	95.8	Very high	90.7	Very high	5 Å²	5	13.6 Å²	13.6	3%	0.026	7%	0.067	C	C	.	.	H	α-helix	trans	-69.5	-42.5	177.9	-177.1	63.3	0	0	0	112.4	H95 L96 H97 L101 N102 R103 D137 I145 Q330 R638	H95-L99 WeakPolarHBondContact O-CB 3.21Å; H95-L99 PolarHBondContact O-N 3.31Å; L96-L99 PolarHBondContact O-N 2.82Å; H97-L99 VanDerWaalsContact C-N 3.33Å; H97-L99 PolarHBondContact O-N 3Å; L99-L101 VanDerWaalsContact C-N 3.28Å; L99-L101 PolarHBondContact O-N 2.86Å; L99-N102 WeakPolarHBondContact O-CB 3.41Å; L99-N102 PolarHBondContact O-N 3.04Å; L99-R103 HydrophobicContact CD1-CG 4.43Å; L99-R103 WeakPolarHBondContact O-CG 3.06Å; L99-R103 PolarHBondContact O-N 3.11Å; L99-R103 VanDerWaalsContact O-N 3.09Å; L99-D137 HydrophobicContact CD2-CB 4.09Å; L99-I145 HydrophobicContact CD2-CD1 3.2Å; L99-I145 HydrophobicContact CD2-CG1 4.24Å; L99-Q330 HydrophobicContact CB-CG 4.42Å; L99-Q330 HydrophobicContact CD2-CG 4.19Å; L99-Q330 HydrophobicContact CG-CG 4.1Å; L99-R638 HydrophobicContact CD1-CG 4.49Å
100	A	96.1	Very high	92.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-60	-43.2	174.7	0	0	0	0	0	111	L96 H97 R103 A104 S302 A304 Q330	L96-A100 PolarHBondContact O-N 3.24Å; H97-A100 PolarHBondContact O-N 3.33Å; A100-R103 PolarHBondContact O-N 3.2Å; A100-A104 WeakPolarHBondContact O-CB 3.39Å; A100-A104 PolarHBondContact O-N 3.4Å; A100-S302 WeakPolarHBondContact CB-OG 3.37Å; A100-A304 HydrophobicContact CB-CB 4.04Å; A100-A304 WeakPolarHBondContact O-CB 3.42Å; A100-Q330 HydrophobicContact CB-CB 4.44Å; A100-Q330 HydrophobicContact CB-CG 3.93Å
101	L	95.6	Very high	93.7	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.037	C	C	.	.	H	α-helix	trans	-63.2	-43	176.2	-173.2	57.3	0	0	0	112.4	Y78 H97 N98 L99 R103 A104 F105 P271 P282 V283	Y78-L101 HydrophobicContact CD2-CD2 3.96Å; Y78-L101 HydrophobicContact CE2-CD2 3.86Å; H97-L101 WeakPolarHBondContact O-CB 3.35Å; H97-L101 PolarHBondContact O-N 2.76Å; H97-L101 VanDerWaalsContact O-N 3.08Å; N98-L101 PolarHBondContact O-N 2.81Å; L99-L101 VanDerWaalsContact C-N 3.28Å; L99-L101 PolarHBondContact O-N 2.86Å; L101-R103 PolarHBondContact O-N 3.29Å; L101-A104 PolarHBondContact O-N 3.22Å; L101-F105 HydrophobicContact CD1-CD2 3.92Å; L101-F105 HydrophobicContact CD1-CE2 3.53Å; L101-F105 HydrophobicContact CD1-CZ 4.22Å; L101-F105 HydrophobicContact CD2-CE2 3.95Å; L101-F105 HydrophobicContact CG-CD2 3.74Å; L101-F105 HydrophobicContact CG-CE2 3.48Å; L101-F105 VanDerWaalsContact CG-CE2 3.48Å; L101-F105 VanDerWaalsContact O-CD2 3.24Å; L101-F105 WeakPolarHBondContact O-CD2 3.45Å; L101-F105 PolarHBondContact O-N 3.41Å; L101-P271 HydrophobicContact CD1-CB 3.82Å; L101-P271 HydrophobicContact CD1-CG 3.99Å; L101-P282 HydrophobicContact CD1-CB 3.98Å; L101-V283 HydrophobicContact CB-CG2 3.85Å; L101-V283 HydrophobicContact CD1-CG2 4.25Å; L101-V283 HydrophobicContact CG-CG2 4.46Å
102	N	96.3	Very high	94.4	Very high	1 Å²	1	7 Å²	7	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-54.6	-50.9	176.3	-177.7	-73.4	0	0	0	112	N98 L99 F105 F106 A676 N677 S680	N98-N102 VanDerWaalsContact O-CB 3.26Å; N98-N102 WeakPolarHBondContact O-CB 3.17Å; N98-N102 PolarHBondContact O-N 3.24Å; L99-N102 WeakPolarHBondContact O-CB 3.41Å; L99-N102 PolarHBondContact O-N 3.04Å; N102-F105 WeakPolarHBondContact O-CB 3.43Å; N102-F105 PolarHBondContact O-N 3.08Å; N102-F106 PolarHBondContact O-N 2.98Å; N102-A676 PolarHBondContact ND2-O 3.18Å; N102-A676 WeakPolarHBondContact O-CB 3.23Å; N102-N677 VanDerWaalsContact ND2-CA 3.26Å; N102-N677 WeakPolarHBondContact ND2-CA 3.41Å; N102-N677 PolarHBondContact ND2-N 2.86Å; N102-N677 VanDerWaalsContact ND2-N 3.19Å; N102-N677 PolarHBondContact ND2-OD1 2.84Å; N102-S680 VanDerWaalsContact CA-CB 3.4Å; N102-S680 WeakPolarHBondContact CB-OG 3.45Å; N102-S680 PolarHBondContact ND2-OG 3.19Å
103	R	97	Very high	94.6	Very high	1 Å²	1	6 Å²	6	0%	0.004	3%	0.027	C	C	.	.	H	α-helix	trans	-68.1	-38.1	-179.6	-61.6	-60.4	66.7	-149.8	-5.5	112.5	L99 A100 L101 F105 F106 Y107 S133 V328 R638 E673	L99-R103 HydrophobicContact CD1-CG 4.43Å; L99-R103 WeakPolarHBondContact O-CG 3.06Å; L99-R103 PolarHBondContact O-N 3.11Å; L99-R103 VanDerWaalsContact O-N 3.09Å; A100-R103 PolarHBondContact O-N 3.2Å; L101-R103 PolarHBondContact O-N 3.29Å; R103-F105 VanDerWaalsContact C-N 3.33Å; R103-F105 PolarHBondContact O-N 2.89Å; R103-F106 PolarHBondContact O-N 2.74Å; R103-Y107 HydrophobicContact CB-CE2 4.4Å; R103-Y107 WeakPolarHBondContact O-CD2 3.08Å; R103-Y107 PolarHBondContact O-N 2.81Å; R103-S133 PolarHBondContact NH1-OG 2.98Å; R103-V328 HydrophobicContact CB-CB 4.27Å; R103-V328 HydrophobicContact CB-CG1 3.65Å; R103-V328 HydrophobicContact CB-CG2 4.03Å; R103-V328 HydrophobicContact CG-CG1 4.3Å; R103-R638 VanDerWaalsContact CZ-CZ 3.49Å; R103-E673 IonicContact CZ-OE1 3.76Å; R103-E673 IonicContact CZ-OE2 3.94Å; R103-E673 VanDerWaalsContact CZ-OE2 3.25Å; R103-E673 IonicContact NH1-OE1 3.98Å; R103-E673 PolarHBondContact NH1-OE1 2.94Å; R103-E673 IonicContact NH1-OE2 3.98Å; R103-E673 PolarHBondContact NH1-OE2 3.28Å; R103-E673 VanDerWaalsContact NH1-OE2 3.16Å; R103-E673 IonicContact NH2-OE1 3.09Å; R103-E673 IonicContact NH2-OE2 3.58Å; R103-E673 PolarHBondContact NH2-OE2 2.95Å
104	A	96	Very high	94.6	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-61.6	-42.3	173.3	0	0	0	0	0	111.9	A100 L101 S108 P271 A304 A305 V328	A100-A104 WeakPolarHBondContact O-CB 3.39Å; A100-A104 PolarHBondContact O-N 3.4Å; L101-A104 PolarHBondContact O-N 3.22Å; A104-S108 VanDerWaalsContact O-CB 3.24Å; A104-S108 WeakPolarHBondContact O-CB 3.47Å; A104-S108 PolarHBondContact O-N 3.09Å; A104-S108 PolarHBondContact O-OG 3.35Å; A104-P271 HydrophobicContact CB-CG 3.68Å; A104-A304 HydrophobicContact CB-CB 3.69Å; A104-A305 WeakPolarHBondContact CB-O 3.39Å; A104-V328 HydrophobicContact CB-CG2 4.39Å
105	F	95.9	Very high	94.4	Very high	4 Å²	4	7 Å²	7	2%	0.018	3%	0.033	C	C	.	.	H	α-helix	trans	-60.8	-49.4	174.1	-86.3	-58.9	0	0	0	112.6	L101 N102 R103 S108 Y109 Y246 F268 P271 A676 L679	L101-F105 HydrophobicContact CD1-CD2 3.92Å; L101-F105 HydrophobicContact CD1-CE2 3.53Å; L101-F105 HydrophobicContact CD1-CZ 4.22Å; L101-F105 HydrophobicContact CD2-CE2 3.95Å; L101-F105 HydrophobicContact CG-CD2 3.74Å; L101-F105 HydrophobicContact CG-CE2 3.48Å; L101-F105 VanDerWaalsContact CG-CE2 3.48Å; L101-F105 VanDerWaalsContact O-CD2 3.24Å; L101-F105 WeakPolarHBondContact O-CD2 3.45Å; L101-F105 PolarHBondContact O-N 3.41Å; N102-F105 WeakPolarHBondContact O-CB 3.43Å; N102-F105 PolarHBondContact O-N 3.08Å; R103-F105 VanDerWaalsContact C-N 3.33Å; R103-F105 PolarHBondContact O-N 2.89Å; F105-S108 PolarHBondContact O-N 2.81Å; F105-Y109 VanDerWaalsContact O-CB 3.3Å; F105-Y109 WeakPolarHBondContact O-CB 3.11Å; F105-Y109 PolarHBondContact O-N 3.2Å; F105-Y246 HydrophobicContact CE1-CD1 4.03Å; F105-Y246 HydrophobicContact CE1-CD2 4.1Å; F105-Y246 AromaticContact CE1-CE1 3.6Å; F105-Y246 HydrophobicContact CE1-CE1 3.6Å; F105-Y246 AromaticContact CE1-CE2 3.69Å; F105-Y246 HydrophobicContact CE1-CE2 3.69Å; F105-Y246 HydrophobicContact CE1-CG 4.26Å; F105-Y246 AromaticContact CE1-CZ 3.41Å; F105-Y246 VanDerWaalsContact CE1-CZ 3.41Å; F105-Y246 AromaticContact CZ-CE1 3.8Å; F105-Y246 HydrophobicContact CZ-CE1 3.8Å; F105-Y246 HydrophobicContact CZ-CE2 4.38Å; F105-Y246 AromaticContact CZ-CZ 3.68Å; F105-F268 HydrophobicContact CD1-CE2 4.32Å; F105-F268 HydrophobicContact CD1-CZ 4.34Å; F105-P271 HydrophobicContact CD1-CG 4.26Å; F105-P271 HydrophobicContact CE1-CG 4.31Å; F105-P271 HydrophobicContact CG-CG 4.42Å; F105-A676 HydrophobicContact CB-CB 4.34Å; F105-L679 HydrophobicContact CD1-CB 4.44Å; F105-L679 HydrophobicContact CD1-CD1 4.22Å; F105-L679 HydrophobicContact CD2-CB 4.02Å; F105-L679 HydrophobicContact CE1-CB 4.45Å; F105-L679 HydrophobicContact CE1-CD1 4.43Å; F105-L679 HydrophobicContact CE2-CB 4.01Å; F105-L679 HydrophobicContact CG-CB 4.26Å; F105-L679 HydrophobicContact CZ-CB 4.25Å
106	F	97.1	Very high	94.2	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-57.8	-53.4	-179.7	169.9	-97.7	0	0	0	112.3	N102 R103 S108 Y109 I110 P125 Y129 E673 A676	N102-F106 PolarHBondContact O-N 2.98Å; R103-F106 PolarHBondContact O-N 2.74Å; F106-S108 VanDerWaalsContact C-N 3.31Å; F106-S108 PolarHBondContact O-N 3.37Å; F106-Y109 PolarHBondContact O-N 3.02Å; F106-I110 HydrophobicContact CE1-CG2 3.99Å; F106-I110 HydrophobicContact CE2-CB 4.42Å; F106-I110 HydrophobicContact CE2-CG2 4.49Å; F106-I110 HydrophobicContact CZ-CB 4.28Å; F106-I110 HydrophobicContact CZ-CG2 3.96Å; F106-I110 WeakPolarHBondContact O-CG2 3.4Å; F106-I110 PolarHBondContact O-N 2.81Å; F106-P125 HydrophobicContact CE1-CG 4.4Å; F106-P125 HydrophobicContact CZ-CG 4.44Å; F106-Y129 HydrophobicContact CD1-CE1 4.28Å; F106-Y129 HydrophobicContact CE1-CD1 4.2Å; F106-Y129 AromaticContact CE1-CE1 3.27Å; F106-Y129 HydrophobicContact CE1-CE1 3.27Å; F106-Y129 AromaticContact CE1-CZ 3.65Å; F106-Y129 VanDerWaalsContact CE2-OH 3.28Å; F106-Y129 WeakPolarHBondContact CE2-OH 3.46Å; F106-Y129 HydrophobicContact CZ-CD1 4.5Å; F106-Y129 AromaticContact CZ-CE1 3.44Å; F106-Y129 HydrophobicContact CZ-CE1 3.44Å; F106-Y129 VanDerWaalsContact CZ-CE1 3.44Å; F106-Y129 HydrophobicContact CZ-CE2 4.17Å; F106-Y129 AromaticContact CZ-CZ 3.24Å; F106-Y129 WeakPolarHBondContact CZ-OH 3.46Å; F106-E673 HydrophobicContact CD2-CG 3.98Å; F106-E673 HydrophobicContact CE2-CG 3.87Å; F106-A676 HydrophobicContact CB-CB 3.89Å
107	Y	96.3	Very high	93.6	Very high	3 Å²	3	12.6 Å²	12.6	1%	0.012	6%	0.062	C	C	.	.	H	α-helix	trans	-64.9	-38	-178.8	-69.8	-59.9	0	0	0	111.5	R103 Y109 L111 Y130 V150 V328	R103-Y107 HydrophobicContact CB-CE2 4.4Å; R103-Y107 WeakPolarHBondContact O-CD2 3.08Å; R103-Y107 PolarHBondContact O-N 2.81Å; Y107-Y109 VanDerWaalsContact C-N 3.35Å; Y107-Y109 PolarHBondContact O-N 2.84Å; Y107-L111 VanDerWaalsContact O-CB 3.29Å; Y107-L111 WeakPolarHBondContact O-CB 3.41Å; Y107-L111 WeakPolarHBondContact O-CD1 2.9Å; Y107-L111 WeakPolarHBondContact O-CG 3.43Å; Y107-L111 PolarHBondContact O-N 3.34Å; Y107-Y130 HydrophobicContact CD1-CD1 4.48Å; Y107-Y130 AromaticContact CD1-CE1 3.68Å; Y107-Y130 HydrophobicContact CD1-CE1 3.68Å; Y107-Y130 AromaticContact CE1-CD1 3.57Å; Y107-Y130 HydrophobicContact CE1-CD1 3.57Å; Y107-Y130 AromaticContact CE1-CE1 3.17Å; Y107-Y130 HydrophobicContact CE1-CE1 3.17Å; Y107-Y130 HydrophobicContact CE1-CG 4.49Å; Y107-Y130 AromaticContact CE1-CZ 3.83Å; Y107-Y130 HydrophobicContact CE2-CE1 4.48Å; Y107-Y130 AromaticContact CZ-CD1 3.63Å; Y107-Y130 AromaticContact CZ-CE1 3.65Å; Y107-Y130 WeakPolarHBondContact OH-CD1 3.31Å; Y107-V150 HydrophobicContact CD2-CG2 4.17Å; Y107-V150 HydrophobicContact CE2-CG2 3.43Å; Y107-V150 VanDerWaalsContact CE2-CG2 3.43Å; Y107-V328 HydrophobicContact CD2-CG2 4.16Å
108	S	94.9	Very high	92.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65	-40.3	176.8	-54.5	0	0	0	0	112.2	A104 F105 F106 Q112 L306 T307	A104-S108 VanDerWaalsContact O-CB 3.24Å; A104-S108 WeakPolarHBondContact O-CB 3.47Å; A104-S108 PolarHBondContact O-N 3.09Å; A104-S108 PolarHBondContact O-OG 3.35Å; F105-S108 PolarHBondContact O-N 2.81Å; F106-S108 VanDerWaalsContact C-N 3.31Å; F106-S108 PolarHBondContact O-N 3.37Å; S108-Q112 WeakPolarHBondContact O-CG 3.36Å; S108-Q112 PolarHBondContact O-NE2 2.65Å; S108-Q112 VanDerWaalsContact O-NE2 3.1Å; S108-L306 WeakPolarHBondContact OG-CA 3.3Å; S108-T307 WeakPolarHBondContact CA-O 3.43Å; S108-T307 PolarHBondContact OG-N 2.76Å; S108-T307 PolarHBondContact OG-OG1 3.48Å
109	Y	95.4	Very high	92.3	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-66	-56.4	177.5	169.3	-101.1	0	0	0	111.6	F105 F106 Y107 L111 Q112 R113 T248 F268 G672 F675	F105-Y109 VanDerWaalsContact O-CB 3.3Å; F105-Y109 WeakPolarHBondContact O-CB 3.11Å; F105-Y109 PolarHBondContact O-N 3.2Å; F106-Y109 PolarHBondContact O-N 3.02Å; Y107-Y109 VanDerWaalsContact C-N 3.35Å; Y107-Y109 PolarHBondContact O-N 2.84Å; Y109-L111 PolarHBondContact O-N 2.03Å; Y109-Q112 PolarHBondContact O-N 2.73Å; Y109-R113 HydrophobicContact CE2-CB 4.49Å; Y109-R113 VanDerWaalsContact O-CB 3.24Å; Y109-R113 WeakPolarHBondContact O-CB 3.45Å; Y109-R113 PolarHBondContact O-N 3.43Å; Y109-T248 HydrophobicContact CE2-CG2 4.33Å; Y109-F268 AromaticContact CD2-CD1 3.75Å; Y109-F268 HydrophobicContact CD2-CD1 3.75Å; Y109-F268 AromaticContact CD2-CE1 3.84Å; Y109-F268 HydrophobicContact CD2-CE1 3.84Å; Y109-F268 HydrophobicContact CD2-CG 4.19Å; Y109-F268 HydrophobicContact CD2-CZ 4.36Å; Y109-G672 VanDerWaalsContact CD1-CA 3.49Å; Y109-G672 VanDerWaalsContact CE1-CA 3.49Å; Y109-F675 HydrophobicContact CE1-CD2 4.45Å; Y109-F675 HydrophobicContact CE2-CD2 4.35Å
110	I	95.2	Very high	91.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.3	-38.5	-169.3	-168.9	66.7	0	0	0	112.7	F106 Q112 R113 L114 P125 F668 H669	F106-I110 HydrophobicContact CE1-CG2 3.99Å; F106-I110 HydrophobicContact CE2-CB 4.42Å; F106-I110 HydrophobicContact CE2-CG2 4.49Å; F106-I110 HydrophobicContact CZ-CB 4.28Å; F106-I110 HydrophobicContact CZ-CG2 3.96Å; F106-I110 WeakPolarHBondContact O-CG2 3.4Å; F106-I110 PolarHBondContact O-N 2.81Å; I110-Q112 VanDerWaalsContact C-N 3.3Å; I110-Q112 PolarHBondContact O-N 2.89Å; I110-R113 PolarHBondContact O-N 2.88Å; I110-L114 HydrophobicContact CD1-CD1 3.66Å; I110-L114 HydrophobicContact CD1-CG 4.08Å; I110-L114 HydrophobicContact CG1-CD1 4.02Å; I110-L114 WeakPolarHBondContact O-CB 3.36Å; I110-L114 PolarHBondContact O-N 2.78Å; I110-L114 VanDerWaalsContact O-N 3.14Å; I110-P125 HydrophobicContact CG1-CG 4.1Å; I110-P125 HydrophobicContact CG2-CG 3.62Å; I110-F668 HydrophobicContact CD1-CB 4.34Å; I110-H669 WeakPolarHBondContact CD1-CD2 3.16Å; I110-H669 VanDerWaalsContact CG1-CD2 3.49Å; I110-H669 WeakPolarHBondContact CG1-CD2 3.18Å
111	L	93.7	Very high	91.2	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-66.3	-34.5	-179	-67	-179.4	0	0	0	111.9	Y107 Y109 L124 L306 D308 I325	Y107-L111 VanDerWaalsContact O-CB 3.29Å; Y107-L111 WeakPolarHBondContact O-CB 3.41Å; Y107-L111 WeakPolarHBondContact O-CD1 2.9Å; Y107-L111 WeakPolarHBondContact O-CG 3.43Å; Y107-L111 PolarHBondContact O-N 3.34Å; Y109-L111 PolarHBondContact O-N 2.03Å; L111-L124 HydrophobicContact CD2-CD2 3.95Å; L111-L306 HydrophobicContact CD1-CD1 4.34Å; L111-D308 HydrophobicContact CD1-CB 4.49Å; L111-I325 HydrophobicContact CD1-CD1 4.02Å
112	Q	92.6	Very high	90.6	Very high	11 Å²	11	30.2 Å²	30.2	5%	0.051	15%	0.147	C	C	.	.	H	α-helix	trans	-85.6	-26.8	177.5	-67.9	175.4	52.3	0	0	112.9	S108 Y109 I110 L114 F268 Y269 T307 F309	S108-Q112 WeakPolarHBondContact O-CG 3.36Å; S108-Q112 PolarHBondContact O-NE2 2.65Å; S108-Q112 VanDerWaalsContact O-NE2 3.1Å; Y109-Q112 PolarHBondContact O-N 2.73Å; I110-Q112 VanDerWaalsContact C-N 3.3Å; I110-Q112 PolarHBondContact O-N 2.89Å; Q112-L114 VanDerWaalsContact C-N 3.33Å; Q112-F268 HydrophobicContact CB-CB 4.24Å; Q112-Y269 PolarHBondContact NE2-O 3.43Å; Q112-T307 PolarHBondContact NE2-O 3.43Å; Q112-F309 HydrophobicContact CB-CD2 4.43Å; Q112-F309 HydrophobicContact CB-CE2 3.95Å; Q112-F309 HydrophobicContact CG-CD2 4.03Å; Q112-F309 HydrophobicContact CG-CE2 3.85Å; Q112-F309 HydrophobicContact CG-CZ 4.35Å
113	R	92	Very high	90.1	Very high	45 Å²	45	32.2 Å²	32.2	17%	0.17	16%	0.155	C	C	.	.	H	α-helix	trans	-69.6	-33.2	175.7	176.7	59.9	-174.5	83	-9.9	112.2	Y109 I110 E264 T266	Y109-R113 HydrophobicContact CE2-CB 4.49Å; Y109-R113 VanDerWaalsContact O-CB 3.24Å; Y109-R113 WeakPolarHBondContact O-CB 3.45Å; Y109-R113 PolarHBondContact O-N 3.43Å; I110-R113 PolarHBondContact O-N 2.88Å; R113-E264 IonicContact CZ-OE2 3.2Å; R113-E264 IonicContact NH2-OE2 2.65Å; R113-E264 PolarHBondContact NH2-OE2 3.21Å; R113-T266 VanDerWaalsContact NE-CG2 3.33Å
114	L	90.6	Very high	89.8	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.021	16%	0.156	C	C	.	.	S	Bend	trans	-109.9	60.1	-176.3	-65.5	-177.9	0	0	0	110.3	I110 Q112 D120 Y123 L124	I110-L114 HydrophobicContact CD1-CD1 3.66Å; I110-L114 HydrophobicContact CD1-CG 4.08Å; I110-L114 HydrophobicContact CG1-CD1 4.02Å; I110-L114 WeakPolarHBondContact O-CB 3.36Å; I110-L114 PolarHBondContact O-N 2.78Å; I110-L114 VanDerWaalsContact O-N 3.14Å; Q112-L114 VanDerWaalsContact C-N 3.33Å; L114-D120 WeakPolarHBondContact CA-OD2 3.26Å; L114-D120 HydrophobicContact CB-CB 4Å; L114-Y123 VanDerWaalsContact CD1-O 3.25Å; L114-Y123 WeakPolarHBondContact CD1-O 3.43Å; L114-L124 HydrophobicContact CB-CD2 3.72Å; L114-L124 HydrophobicContact CB-CG 4.46Å; L114-L124 HydrophobicContact CD1-CD2 4.38Å
115	D	87.6	Confident	89.6	Confident	49 Å²	49	32.5 Å²	32.5	26%	0.262	16%	0.157	S	C	.	.			trans	-99.3	-2.2	-172.9	79.8	-40.8	0	0	0	114.4	D120 R320	D115-D120 PolarHBondContact N-OD2 2.88Å; D115-R320 IonicContact OD2-NH1 2.93Å; D115-R320 PolarHBondContact OD2-NH1 3.02Å
116	H	86.4	Confident	89.3	Confident	89 Å²	89	32.5 Å²	32.5	41%	0.412	16%	0.157	S	C	.	.			trans	-69.8	128.5	-179	-167.3	-74.5	0	0	0	111	T118 R119 D120 P121	H116-T118 PolarHBondContact CE1-OG1 3.2Å; H116-T118 PolarHBondContact ND1-N 2.71Å; H116-T118 PolarHBondContact ND1-OG1 2.68Å; H116-T118 PolarHBondContact O-N 3.25Å; H116-R119 PolarHBondContact ND1-N 2.88Å; H116-D120 HydrophobicContact CB-CB 4.09Å; H116-D120 WeakPolarHBondContact CB-OD2 3.31Å; H116-D120 PolarHBondContact N-OD2 3.13Å; H116-D120 WeakPolarHBondContact O-CB 3.38Å; H116-D120 PolarHBondContact O-N 2.94Å; H116-P121 WeakPolarHBondContact O-CD 3.28Å
117	P	81.2	Confident	89	Confident	34 Å²	34	32.7 Å²	32.7	22%	0.221	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-35.1	-168	24.2	-34.5	0	0	0	115.4	P121 Y313	P117-P121 WeakPolarHBondContact O-CD 3.35Å; P117-P121 WeakPolarHBondContact O-CG 2.97Å; P117-Y313 HydrophobicContact CB-CD1 3.85Å; P117-Y313 HydrophobicContact CB-CG 4.41Å
118	T	79.9	Confident	88.8	Confident	109 Å²	109	33.1 Å²	33.1	67%	0.669	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-44.4	-175.9	55.4	0	0	0	0	113.5	H116	H116-T118 PolarHBondContact CE1-OG1 3.2Å; H116-T118 PolarHBondContact ND1-N 2.71Å; H116-T118 PolarHBondContact ND1-OG1 2.68Å; H116-T118 PolarHBondContact O-N 3.25Å
119	R	81.8	Confident	88.7	Confident	150 Å²	150	33.1 Å²	33.1	57%	0.566	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-41.5	-175.1	-175.2	-179.7	-178.9	-171.7	-0.3	113.9	H116 Q122 Y123	H116-R119 PolarHBondContact ND1-N 2.88Å; R119-Q122 WeakPolarHBondContact O-CG 3.42Å; R119-Q122 PolarHBondContact O-NE2 2.93Å; R119-Y123 HydrophobicContact CG-CE2 4.09Å; R119-Y123 WeakPolarHBondContact O-CD2 3.35Å; R119-Y123 VanDerWaalsContact O-CE2 3.25Å; R119-Y123 WeakPolarHBondContact O-CE2 3.34Å
120	D	86.3	Confident	88.7	Confident	17 Å²	17	33.5 Å²	33.5	9%	0.091	16%	0.162	C	C	.	.	S	Bend	trans	-89.3	-22.6	-164.4	-63	-9	0	0	0	117	L114 D115 H116 Q122 Y123 L124	L114-D120 WeakPolarHBondContact CA-OD2 3.26Å; L114-D120 HydrophobicContact CB-CB 4Å; D115-D120 PolarHBondContact N-OD2 2.88Å; H116-D120 HydrophobicContact CB-CB 4.09Å; H116-D120 WeakPolarHBondContact CB-OD2 3.31Å; H116-D120 PolarHBondContact N-OD2 3.13Å; H116-D120 WeakPolarHBondContact O-CB 3.38Å; H116-D120 PolarHBondContact O-N 2.94Å; D120-Q122 VanDerWaalsContact C-N 3.27Å; D120-Q122 PolarHBondContact O-N 2.99Å; D120-Y123 WeakPolarHBondContact O-CA 3.37Å; D120-Y123 PolarHBondContact O-N 3.28Å; D120-L124 PolarHBondContact O-N 2.94Å
121	P	84.1	Confident	88.7	Confident	23 Å²	23	33.6 Å²	33.6	15%	0.149	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-56.3	-41.3	-174.5	-25.7	33.3	0	0	0	113.1	H116 P117 Y123 L124 N160 I167 Y313	H116-P121 WeakPolarHBondContact O-CD 3.28Å; P117-P121 WeakPolarHBondContact O-CD 3.35Å; P117-P121 WeakPolarHBondContact O-CG 2.97Å; P121-Y123 PolarHBondContact O-N 3.4Å; P121-Y123 VanDerWaalsContact O-N 3.16Å; P121-L124 WeakPolarHBondContact O-CB 3.43Å; P121-L124 PolarHBondContact O-N 3.49Å; P121-N160 WeakPolarHBondContact O-CB 3.28Å; P121-N160 PolarHBondContact O-ND2 3.14Å; P121-I167 HydrophobicContact CG-CG2 4.49Å; P121-Y313 HydrophobicContact CG-CE1 4.4Å
122	Q	81.3	Confident	88.8	Confident	86 Å²	86	33.3 Å²	33.3	40%	0.402	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-62.9	-19.5	176.9	58.7	177	-1.5	0	0	114.1	R119 D120 F663	R119-Q122 WeakPolarHBondContact O-CG 3.42Å; R119-Q122 PolarHBondContact O-NE2 2.93Å; D120-Q122 VanDerWaalsContact C-N 3.27Å; D120-Q122 PolarHBondContact O-N 2.99Å; Q122-F663 HydrophobicContact CB-CE1 4.25Å; Q122-F663 WeakPolarHBondContact O-CD1 3.29Å; Q122-F663 VanDerWaalsContact O-CE1 3.26Å; Q122-F663 WeakPolarHBondContact O-CE1 3.37Å
123	Y	87	Confident	88.9	Confident	43 Å²	43	32.8 Å²	32.8	17%	0.169	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-99.6	-3.9	-178.1	-55.4	-43.5	0	0	0	113.7	L114 R119 D120 P121 H669 H699	L114-Y123 VanDerWaalsContact CD1-O 3.25Å; L114-Y123 WeakPolarHBondContact CD1-O 3.43Å; R119-Y123 HydrophobicContact CG-CE2 4.09Å; R119-Y123 WeakPolarHBondContact O-CD2 3.35Å; R119-Y123 VanDerWaalsContact O-CE2 3.25Å; R119-Y123 WeakPolarHBondContact O-CE2 3.34Å; D120-Y123 WeakPolarHBondContact O-CA 3.37Å; D120-Y123 PolarHBondContact O-N 3.28Å; P121-Y123 PolarHBondContact O-N 3.4Å; P121-Y123 VanDerWaalsContact O-N 3.16Å; Y123-H669 PolarHBondContact O-CE1 3.04Å; Y123-H669 PolarHBondContact O-NE2 2.9Å; Y123-H699 HydrophobicContact CD1-CB 4.21Å; Y123-H699 AromaticContact CD1-CD2 3.7Å; Y123-H699 HydrophobicContact CE1-CB 4.14Å; Y123-H699 AromaticContact CE1-CD2 3.19Å; Y123-H699 WeakPolarHBondContact CE1-CD2 3.41Å; Y123-H699 AromaticContact CE1-CG 3.91Å; Y123-H699 AromaticContact CZ-CD2 3.34Å; Y123-H699 AromaticContact CZ-NE2 3.82Å
124	L	90.8	Very high	89.1	Confident	6 Å²	6	30.9 Å²	30.9	3%	0.031	15%	0.152	C	C	.	.	S	Bend	trans	-65.8	161.6	174.4	-69.8	167.9	0	0	0	111.8	L111 L114 D120 P121 S126 N160 Y313	L111-L124 HydrophobicContact CD2-CD2 3.95Å; L114-L124 HydrophobicContact CB-CD2 3.72Å; L114-L124 HydrophobicContact CB-CG 4.46Å; L114-L124 HydrophobicContact CD1-CD2 4.38Å; D120-L124 PolarHBondContact O-N 2.94Å; P121-L124 WeakPolarHBondContact O-CB 3.43Å; P121-L124 PolarHBondContact O-N 3.49Å; L124-S126 PolarHBondContact O-N 3.41Å; L124-N160 HydrophobicContact CB-CB 4.5Å; L124-N160 WeakPolarHBondContact CB-ND2 3.21Å; L124-N160 HydrophobicContact CD1-CB 4.5Å; L124-N160 PolarHBondContact O-ND2 3.01Å; L124-Y313 WeakPolarHBondContact CD1-OH 3.12Å
125	P	92.3	Very high	89.4	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.013	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-51.4	116.1	172.5	-27.3	35.2	0	0	0	111.4	F106 I110 Y129 Y130 N160	F106-P125 HydrophobicContact CE1-CG 4.4Å; F106-P125 HydrophobicContact CZ-CG 4.44Å; I110-P125 HydrophobicContact CG1-CG 4.1Å; I110-P125 HydrophobicContact CG2-CG 3.62Å; P125-Y129 HydrophobicContact CB-CD1 3.96Å; P125-Y129 HydrophobicContact CB-CD2 4.47Å; P125-Y129 HydrophobicContact CB-CG 3.9Å; P125-Y130 HydrophobicContact CB-CE2 3.91Å; P125-Y130 WeakPolarHBondContact O-CE2 3.33Å; P125-N160 PolarHBondContact O-OD1 3.22Å
126	S	89.3	Confident	89.8	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.021	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-70.6	169.8	178.2	65	0	0	0	0	112	L124 M128 Y129 Y130	L124-S126 PolarHBondContact O-N 3.41Å; S126-M128 VanDerWaalsContact C-N 3.26Å; S126-M128 PolarHBondContact O-N 3.35Å; S126-Y129 WeakPolarHBondContact O-CA 3.47Å; S126-Y129 WeakPolarHBondContact O-CB 3.4Å; S126-Y129 PolarHBondContact O-N 3.16Å; S126-Y129 PolarHBondContact OG-N 3.28Å; S126-Y130 WeakPolarHBondContact O-CD2 3.47Å; S126-Y130 PolarHBondContact O-N 3.18Å
127	L	90.8	Very high	90.3	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.026	12%	0.12	C	C	.	.	H	α-helix	trans	-53.3	-46.3	176.6	-177.7	64.9	0	0	0	111.6	Y129 Y130 Y131 W161 F174 L659 I763	L127-Y129 PolarHBondContact O-N 2.98Å; L127-Y130 PolarHBondContact O-N 3.24Å; L127-Y131 HydrophobicContact CD1-CD2 4.06Å; L127-Y131 HydrophobicContact CD1-CE2 3.51Å; L127-Y131 HydrophobicContact CG-CD2 4.29Å; L127-Y131 HydrophobicContact CG-CE2 4.07Å; L127-Y131 WeakPolarHBondContact O-CD2 3.27Å; L127-Y131 PolarHBondContact O-N 3.29Å; L127-W161 HydrophobicContact CB-CB 4.22Å; L127-W161 HydrophobicContact CB-CD2 3.73Å; L127-W161 HydrophobicContact CB-CE3 4Å; L127-W161 HydrophobicContact CB-CG 3.82Å; L127-W161 HydrophobicContact CD1-CD2 4.45Å; L127-W161 HydrophobicContact CD1-CZ2 4.19Å; L127-F174 HydrophobicContact CD1-CE2 3.79Å; L127-F174 HydrophobicContact CD1-CZ 4.04Å; L127-L659 HydrophobicContact CD2-CD1 3.97Å; L127-L659 HydrophobicContact CD2-CD2 4.08Å; L127-I763 HydrophobicContact CD2-CB 4.31Å; L127-I763 HydrophobicContact CD2-CG2 3.93Å
128	M	91.3	Very high	91	Very high	11 Å²	11	22.7 Å²	22.7	5%	0.054	11%	0.109	C	C	.	.	H	α-helix	trans	-66.1	-27.8	-179.8	-166.6	56	68.3	0	0	112.4	S126 Y131 L132 Y775 I780	S126-M128 VanDerWaalsContact C-N 3.26Å; S126-M128 PolarHBondContact O-N 3.35Å; M128-Y131 PolarHBondContact O-N 3.25Å; M128-L132 HydrophobicContact CG-CD1 3.58Å; M128-L132 HydrophobicContact CG-CG 3.83Å; M128-L132 WeakPolarHBondContact O-CB 3.49Å; M128-L132 WeakPolarHBondContact O-CG 3.38Å; M128-L132 PolarHBondContact O-N 3.31Å; M128-L132 HydrophobicContact SD-CD1 3.93Å; M128-L132 HydrophobicContact SD-CD2 4Å; M128-L132 HydrophobicContact SD-CG 3.66Å; M128-Y775 HydrophobicContact CE-CD1 3.99Å; M128-Y775 HydrophobicContact CE-CD2 4.45Å; M128-Y775 HydrophobicContact CE-CE1 3.39Å; M128-Y775 HydrophobicContact CE-CE2 3.94Å; M128-Y775 HydrophobicContact CE-CG 4.5Å; M128-I780 HydrophobicContact CE-CD1 4.04Å; M128-I780 HydrophobicContact SD-CD1 4.12Å
129	Y	94	Very high	91.7	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	8%	0.079	C	C	.	.	H	α-helix	trans	-58.8	-52.8	172.7	-165.1	-72.2	0	0	0	110.6	F106 P125 S126 L127 Y131 S133 F642 Y646 L665 H669 E673	F106-Y129 HydrophobicContact CD1-CE1 4.28Å; F106-Y129 HydrophobicContact CE1-CD1 4.2Å; F106-Y129 AromaticContact CE1-CE1 3.27Å; F106-Y129 HydrophobicContact CE1-CE1 3.27Å; F106-Y129 AromaticContact CE1-CZ 3.65Å; F106-Y129 VanDerWaalsContact CE2-OH 3.28Å; F106-Y129 WeakPolarHBondContact CE2-OH 3.46Å; F106-Y129 HydrophobicContact CZ-CD1 4.5Å; F106-Y129 AromaticContact CZ-CE1 3.44Å; F106-Y129 HydrophobicContact CZ-CE1 3.44Å; F106-Y129 VanDerWaalsContact CZ-CE1 3.44Å; F106-Y129 HydrophobicContact CZ-CE2 4.17Å; F106-Y129 AromaticContact CZ-CZ 3.24Å; F106-Y129 WeakPolarHBondContact CZ-OH 3.46Å; P125-Y129 HydrophobicContact CB-CD1 3.96Å; P125-Y129 HydrophobicContact CB-CD2 4.47Å; P125-Y129 HydrophobicContact CB-CG 3.9Å; S126-Y129 WeakPolarHBondContact O-CA 3.47Å; S126-Y129 WeakPolarHBondContact O-CB 3.4Å; S126-Y129 PolarHBondContact O-N 3.16Å; S126-Y129 PolarHBondContact OG-N 3.28Å; L127-Y129 PolarHBondContact O-N 2.98Å; Y129-Y131 VanDerWaalsContact C-N 3.26Å; Y129-Y131 PolarHBondContact O-N 2.86Å; Y129-S133 WeakPolarHBondContact O-CB 3.49Å; Y129-S133 PolarHBondContact O-N 2.99Å; Y129-F642 HydrophobicContact CD1-CE2 4.46Å; Y129-F642 HydrophobicContact CD1-CZ 4.28Å; Y129-F642 HydrophobicContact CD2-CE2 4.39Å; Y129-F642 AromaticContact CD2-CZ 3.66Å; Y129-F642 HydrophobicContact CD2-CZ 3.66Å; Y129-F642 HydrophobicContact CE1-CE2 4.37Å; Y129-F642 AromaticContact CE1-CZ 3.97Å; Y129-F642 HydrophobicContact CE1-CZ 3.97Å; Y129-F642 AromaticContact CE2-CE1 3.84Å; Y129-F642 HydrophobicContact CE2-CE1 3.84Å; Y129-F642 HydrophobicContact CE2-CE2 4.35Å; Y129-F642 AromaticContact CE2-CZ 3.33Å; Y129-F642 HydrophobicContact CE2-CZ 3.33Å; Y129-F642 HydrophobicContact CG-CE2 4.43Å; Y129-F642 HydrophobicContact CG-CZ 4.11Å; Y129-F642 AromaticContact CZ-CE1 3.8Å; Y129-F642 AromaticContact CZ-CZ 3.46Å; Y129-F642 VanDerWaalsContact CZ-CZ 3.46Å; Y129-Y646 HydrophobicContact CD2-CE2 4.44Å; Y129-L665 HydrophobicContact CD2-CD2 4.02Å; Y129-L665 HydrophobicContact CE2-CD2 3.89Å; Y129-H669 HydrophobicContact CE2-CB 4.18Å; Y129-E673 WeakPolarHBondContact OH-CG 3.39Å; Y129-E673 PolarHBondContact OH-OE1 3.39Å
130	Y	94.9	Very high	92.3	Very high	11 Å²	11	10.6 Å²	10.6	4%	0.043	5%	0.052	C	C	.	.	H	α-helix	trans	-58.9	-39.3	179.6	-73.7	-83.3	0	0	0	112.3	Y107 P125 S126 L127 S134 V150 M152 W161 F174 P176	Y107-Y130 HydrophobicContact CD1-CD1 4.48Å; Y107-Y130 AromaticContact CD1-CE1 3.68Å; Y107-Y130 HydrophobicContact CD1-CE1 3.68Å; Y107-Y130 AromaticContact CE1-CD1 3.57Å; Y107-Y130 HydrophobicContact CE1-CD1 3.57Å; Y107-Y130 AromaticContact CE1-CE1 3.17Å; Y107-Y130 HydrophobicContact CE1-CE1 3.17Å; Y107-Y130 HydrophobicContact CE1-CG 4.49Å; Y107-Y130 AromaticContact CE1-CZ 3.83Å; Y107-Y130 HydrophobicContact CE2-CE1 4.48Å; Y107-Y130 AromaticContact CZ-CD1 3.63Å; Y107-Y130 AromaticContact CZ-CE1 3.65Å; Y107-Y130 WeakPolarHBondContact OH-CD1 3.31Å; P125-Y130 HydrophobicContact CB-CE2 3.91Å; P125-Y130 WeakPolarHBondContact O-CE2 3.33Å; S126-Y130 WeakPolarHBondContact O-CD2 3.47Å; S126-Y130 PolarHBondContact O-N 3.18Å; L127-Y130 PolarHBondContact O-N 3.24Å; Y130-S134 WeakPolarHBondContact O-CB 3.41Å; Y130-S134 PolarHBondContact O-N 3.21Å; Y130-S134 PolarHBondContact O-OG 3.26Å; Y130-V150 HydrophobicContact CD1-CB 4.47Å; Y130-V150 HydrophobicContact CD1-CG2 4.28Å; Y130-V150 HydrophobicContact CE1-CG1 4.44Å; Y130-M152 HydrophobicContact CE1-CE 4.08Å; Y130-W161 HydrophobicContact CD2-CH2 4.25Å; Y130-W161 HydrophobicContact CD2-CZ3 4.06Å; Y130-W161 HydrophobicContact CE2-CH2 4.04Å; Y130-W161 AromaticContact CE2-CZ3 3.79Å; Y130-W161 HydrophobicContact CE2-CZ3 3.79Å; Y130-F174 HydrophobicContact CD1-CE1 4.29Å; Y130-F174 HydrophobicContact CD2-CE1 4.14Å; Y130-F174 HydrophobicContact CD2-CZ 4.15Å; Y130-F174 HydrophobicContact CE1-CE1 4.4Å; Y130-F174 HydrophobicContact CE2-CE1 4.27Å; Y130-F174 HydrophobicContact CG-CE1 4.16Å; Y130-F174 HydrophobicContact CG-CZ 4.21Å; Y130-P176 HydrophobicContact CD1-CG 4.15Å; Y130-P176 HydrophobicContact CG-CG 4.24Å
131	Y	94.9	Very high	92.6	Very high	1 Å²	1	9.8 Å²	9.8	0%	0.004	5%	0.048	C	C	.	.	H	α-helix	trans	-72.5	-49.6	-177.2	-81.4	-124.6	0	0	0	111.8	L127 M128 Y129 S134 A135 P176 I201 D203 P761 Y762 I763	L127-Y131 HydrophobicContact CD1-CD2 4.06Å; L127-Y131 HydrophobicContact CD1-CE2 3.51Å; L127-Y131 HydrophobicContact CG-CD2 4.29Å; L127-Y131 HydrophobicContact CG-CE2 4.07Å; L127-Y131 WeakPolarHBondContact O-CD2 3.27Å; L127-Y131 PolarHBondContact O-N 3.29Å; M128-Y131 PolarHBondContact O-N 3.25Å; Y129-Y131 VanDerWaalsContact C-N 3.26Å; Y129-Y131 PolarHBondContact O-N 2.86Å; Y131-S134 PolarHBondContact O-N 2.94Å; Y131-S134 PolarHBondContact O-OG 3.49Å; Y131-A135 WeakPolarHBondContact O-CB 3.47Å; Y131-A135 PolarHBondContact O-N 3.48Å; Y131-P176 HydrophobicContact CD2-CB 4.04Å; Y131-P176 HydrophobicContact CE2-CB 3.8Å; Y131-I201 HydrophobicContact CD1-CB 3.76Å; Y131-I201 HydrophobicContact CD1-CD1 4.22Å; Y131-I201 HydrophobicContact CD1-CG2 3.32Å; Y131-I201 HydrophobicContact CD2-CG2 4.34Å; Y131-I201 HydrophobicContact CE1-CB 4.14Å; Y131-I201 HydrophobicContact CE1-CG2 3.69Å; Y131-I201 HydrophobicContact CG-CB 4.49Å; Y131-I201 HydrophobicContact CG-CG2 3.7Å; Y131-I201 WeakPolarHBondContact O-CD1 3.39Å; Y131-D203 WeakPolarHBondContact OH-CB 3.04Å; Y131-P761 HydrophobicContact CD1-CB 3.65Å; Y131-P761 HydrophobicContact CE1-CB 4.01Å; Y131-Y762 PolarHBondContact OH-O 3.27Å; Y131-I763 HydrophobicContact CE1-CG2 3.81Å
132	L	95.3	Very high	92.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-72.5	-31.5	-179.9	-61.6	-179.3	0	0	0	112.3	M128 A135 A136 F642 A645 Y646	M128-L132 HydrophobicContact CG-CD1 3.58Å; M128-L132 HydrophobicContact CG-CG 3.83Å; M128-L132 WeakPolarHBondContact O-CB 3.49Å; M128-L132 WeakPolarHBondContact O-CG 3.38Å; M128-L132 PolarHBondContact O-N 3.31Å; M128-L132 HydrophobicContact SD-CD1 3.93Å; M128-L132 HydrophobicContact SD-CD2 4Å; M128-L132 HydrophobicContact SD-CG 3.66Å; L132-A135 PolarHBondContact O-N 2.92Å; L132-A136 WeakPolarHBondContact O-CB 3.38Å; L132-A136 PolarHBondContact O-N 2.95Å; L132-F642 HydrophobicContact CB-CD2 4.31Å; L132-F642 HydrophobicContact CB-CE2 4.27Å; L132-A645 HydrophobicContact CB-CB 4.31Å; L132-A645 HydrophobicContact CD1-CB 4.41Å; L132-A645 HydrophobicContact CD2-CB 4.24Å; L132-Y646 HydrophobicContact CD1-CD2 3.94Å
133	S	96.1	Very high	92.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.4	-44	174.7	-178.6	0	0	0	0	111.5	R103 Y129 A136 D137 R638	R103-S133 PolarHBondContact NH1-OG 2.98Å; Y129-S133 WeakPolarHBondContact O-CB 3.49Å; Y129-S133 PolarHBondContact O-N 2.99Å; S133-A136 PolarHBondContact O-N 3.42Å; S133-D137 PolarHBondContact O-N 3.16Å; S133-D137 VanDerWaalsContact O-N 3.16Å; S133-R638 PolarHBondContact O-NH2 2.99Å; S133-R638 PolarHBondContact OG-NH2 2.84Å
134	S	96.2	Very high	92.9	Very high	4 Å²	4	8.7 Å²	8.7	3%	0.028	5%	0.048	C	C	.	.	H	α-helix	trans	-69.7	-38.9	174.2	52.8	0	0	0	0	112.2	Y130 Y131 A136 D137 I138 S148	Y130-S134 WeakPolarHBondContact O-CB 3.41Å; Y130-S134 PolarHBondContact O-N 3.21Å; Y130-S134 PolarHBondContact O-OG 3.26Å; Y131-S134 PolarHBondContact O-N 2.94Å; Y131-S134 PolarHBondContact O-OG 3.49Å; S134-A136 VanDerWaalsContact C-N 3.27Å; S134-A136 PolarHBondContact O-N 3.4Å; S134-D137 WeakPolarHBondContact O-CB 3.45Å; S134-D137 PolarHBondContact O-N 3.13Å; S134-I138 PolarHBondContact O-N 3.46Å; S134-S148 WeakPolarHBondContact CA-OG 3.05Å; S134-S148 WeakPolarHBondContact CB-OG 3.49Å; S134-S148 PolarHBondContact O-OG 3Å
135	A	96.2	Very high	93	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.5	-35.3	172.6	0	0	0	0	0	113.2	Y131 L132 I138 S139 I199 I201	Y131-A135 WeakPolarHBondContact O-CB 3.47Å; Y131-A135 PolarHBondContact O-N 3.48Å; L132-A135 PolarHBondContact O-N 2.92Å; A135-I138 PolarHBondContact O-N 3.16Å; A135-S139 WeakPolarHBondContact O-CB 3.47Å; A135-S139 PolarHBondContact O-N 3.49Å; A135-S139 PolarHBondContact O-OG 3.31Å; A135-I199 HydrophobicContact CB-CD1 4.25Å; A135-I199 HydrophobicContact CB-CG2 4.42Å; A135-I199 VanDerWaalsContact O-CD1 3.3Å; A135-I199 WeakPolarHBondContact O-CD1 3.16Å; A135-I201 HydrophobicContact CB-CD1 4.01Å
136	A	96.6	Very high	93	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-68.1	-37	176.3	0	0	0	0	0	112.7	L132 S133 S134 I138 S139 S140 H641 F642	L132-A136 WeakPolarHBondContact O-CB 3.38Å; L132-A136 PolarHBondContact O-N 2.95Å; S133-A136 PolarHBondContact O-N 3.42Å; S134-A136 VanDerWaalsContact C-N 3.27Å; S134-A136 PolarHBondContact O-N 3.4Å; A136-I138 VanDerWaalsContact C-N 3.29Å; A136-I138 PolarHBondContact O-N 3.46Å; A136-S139 WeakPolarHBondContact CA-OG 3.11Å; A136-S139 PolarHBondContact O-OG 3.19Å; A136-S140 VanDerWaalsContact O-CB 3.31Å; A136-S140 WeakPolarHBondContact O-CB 3.09Å; A136-S140 PolarHBondContact O-N 3.3Å; A136-S140 VanDerWaalsContact O-N 3.08Å; A136-S140 PolarHBondContact O-OG 2.75Å; A136-H641 HydrophobicContact CB-CB 4.09Å; A136-F642 HydrophobicContact CB-CB 3.62Å
137	D	96.2	Very high	93.3	Very high	5 Å²	5	8.8 Å²	8.8	3%	0.027	5%	0.049	C	C	.	.	H	α-helix	trans	-56.9	-44.9	173.9	-67	-7	0	0	0	110.8	L99 S133 S134 S140 I145 Q330 R638	L99-D137 HydrophobicContact CD2-CB 4.09Å; S133-D137 PolarHBondContact O-N 3.16Å; S133-D137 VanDerWaalsContact O-N 3.16Å; S134-D137 WeakPolarHBondContact O-CB 3.45Å; S134-D137 PolarHBondContact O-N 3.13Å; D137-S140 PolarHBondContact O-OG 3.09Å; D137-I145 VanDerWaalsContact O-CD1 3.29Å; D137-I145 WeakPolarHBondContact O-CD1 3.08Å; D137-Q330 PolarHBondContact OD2-NE2 3.33Å; D137-R638 IonicContact OD1-CZ 3.86Å; D137-R638 IonicContact OD1-NE 3.48Å; D137-R638 PolarHBondContact OD1-NE 2.94Å; D137-R638 IonicContact OD1-NH2 2.69Å; D137-R638 PolarHBondContact OD1-NH2 3.47Å
138	I	95.9	Very high	93.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-74.8	-48.6	-179.8	-64.1	172.4	0	0	0	111.4	S134 A135 A136 S140 G141 I145 A178 R180 I199	S134-I138 PolarHBondContact O-N 3.46Å; A135-I138 PolarHBondContact O-N 3.16Å; A136-I138 VanDerWaalsContact C-N 3.29Å; A136-I138 PolarHBondContact O-N 3.46Å; I138-S140 VanDerWaalsContact C-N 3.31Å; I138-S140 PolarHBondContact O-N 3.33Å; I138-G141 CarbonylContact O-C 3.5Å; I138-G141 PolarHBondContact O-N 3.1Å; I138-G141 VanDerWaalsContact O-N 3.14Å; I138-I145 HydrophobicContact CG1-CG2 4.09Å; I138-A178 VanDerWaalsContact CD1-C 3.43Å; I138-A178 HydrophobicContact CD1-CB 3.49Å; I138-A178 VanDerWaalsContact CD1-CB 3.49Å; I138-A178 WeakPolarHBondContact CD1-O 3.34Å; I138-R180 HydrophobicContact CG2-CB 3.94Å; I138-R180 HydrophobicContact CG2-CG 4.4Å; I138-R180 VanDerWaalsContact CG2-NH2 3.26Å; I138-R180 PolarHBondContact O-NH2 2.93Å; I138-I199 HydrophobicContact CB-CD1 3.97Å; I138-I199 HydrophobicContact CB-CG1 4.49Å; I138-I199 HydrophobicContact CD1-CG2 3.96Å; I138-I199 HydrophobicContact CG2-CD1 3.89Å; I138-I199 HydrophobicContact CG2-CG1 3.99Å
139	S	94.9	Very high	93.7	Very high	4 Å²	4	8.1 Å²	8.1	3%	0.028	5%	0.046	C	C	.	.	H	α-helix	trans	-65	-32.8	-174.7	56	0	0	0	0	113.1	A135 A136 G141 H641	A135-S139 WeakPolarHBondContact O-CB 3.47Å; A135-S139 PolarHBondContact O-N 3.49Å; A135-S139 PolarHBondContact O-OG 3.31Å; A136-S139 WeakPolarHBondContact CA-OG 3.11Å; A136-S139 PolarHBondContact O-OG 3.19Å; S139-G141 VanDerWaalsContact C-N 3.26Å; S139-G141 PolarHBondContact O-N 3.36Å; S139-H641 WeakPolarHBondContact CB-ND1 3.26Å; S139-H641 PolarHBondContact OG-ND1 2.96Å
140	S	94.3	Very high	93.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.6	176.7	60.2	0	0	0	0	114.5	A136 D137 I138 R634 R638	A136-S140 VanDerWaalsContact O-CB 3.31Å; A136-S140 WeakPolarHBondContact O-CB 3.09Å; A136-S140 PolarHBondContact O-N 3.3Å; A136-S140 VanDerWaalsContact O-N 3.08Å; A136-S140 PolarHBondContact O-OG 2.75Å; D137-S140 PolarHBondContact O-OG 3.09Å; I138-S140 VanDerWaalsContact C-N 3.31Å; I138-S140 PolarHBondContact O-N 3.33Å; S140-R634 PolarHBondContact O-NH1 3.28Å; S140-R638 VanDerWaalsContact CB-CA 3.41Å; S140-R638 VanDerWaalsContact OG-CB 3.29Å; S140-R638 WeakPolarHBondContact OG-CB 3.43Å
141	G	91.7	Very high	93.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.045	C	C	.	.			trans	-127.5	61.4	-178.4	0	0	0	0	0	114	I138 S139 N143 V144 I145 R180	I138-G141 CarbonylContact O-C 3.5Å; I138-G141 PolarHBondContact O-N 3.1Å; I138-G141 VanDerWaalsContact O-N 3.14Å; S139-G141 VanDerWaalsContact C-N 3.26Å; S139-G141 PolarHBondContact O-N 3.36Å; G141-N143 PolarHBondContact O-N 3.4Å; G141-N143 VanDerWaalsContact O-N 3.08Å; G141-V144 PolarHBondContact O-N 3.38Å; G141-I145 PolarHBondContact O-N 2.91Å; G141-R180 PolarHBondContact O-NH2 3.37Å
142	P	87.1	Confident	93.7	Very high	33 Å²	33	7.9 Å²	7.9	21%	0.214	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-37.5	-175	19.6	-32.3	0	0	0	114.7	R180 R336	P142-R180 VanDerWaalsContact CA-NH2 3.27Å; P142-R336 PolarHBondContact O-NH1 3.27Å
143	N	83.4	Confident	93.6	Very high	91 Å²	91	8.1 Å²	8.1	49%	0.487	5%	0.046	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-4.1	-176	-67.8	-28.9	0	0	0	114.2	G141 R336	G141-N143 PolarHBondContact O-N 3.4Å; G141-N143 VanDerWaalsContact O-N 3.08Å; N143-R336 VanDerWaalsContact CA-NH1 3.27Å; N143-R336 PolarHBondContact O-NH1 3.17Å
144	V	88.2	Confident	93.3	Very high	6 Å²	6	11 Å²	11	4%	0.036	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-48.2	-171.9	-173.2	0	0	0	0	111.4	K92 G141 M332 M631	K92-V144 HydrophobicContact CB-CG1 4.08Å; K92-V144 HydrophobicContact CD-CG2 4.41Å; K92-V144 HydrophobicContact CG-CG1 4.37Å; K92-V144 HydrophobicContact CG-CG2 4.13Å; G141-V144 PolarHBondContact O-N 3.38Å; V144-M332 HydrophobicContact CG1-CE 3.99Å; V144-M332 WeakPolarHBondContact O-CB 3.4Å; V144-M631 HydrophobicContact CG2-CE 4.29Å; V144-M631 HydrophobicContact CG2-SD 4.2Å
145	I	93.7	Very high	93.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.			trans	-112.4	127.1	-170.3	-58.5	154	0	0	0	109.7	L96 L99 D137 I138 G141 R180	L96-I145 HydrophobicContact CD1-CG1 4.23Å; L99-I145 HydrophobicContact CD2-CD1 3.2Å; L99-I145 HydrophobicContact CD2-CG1 4.24Å; D137-I145 VanDerWaalsContact O-CD1 3.29Å; D137-I145 WeakPolarHBondContact O-CD1 3.08Å; I138-I145 HydrophobicContact CG1-CG2 4.09Å; G141-I145 PolarHBondContact O-N 2.91Å; I145-R180 PolarHBondContact O-NH2 3.24Å
146	N	92.2	Very high	92.8	Very high	7 Å²	7	15.5 Å²	15.5	4%	0.037	9%	0.088	C	C	.	.	S	Bend	trans	-109.5	-30.2	177.2	-72.9	11.6	0	0	0	112.4	R180 S331	N146-R180 PolarHBondContact O-N 3.12Å; N146-S331 PolarHBondContact N-O 2.82Å
147	I	94.9	Very high	92.5	Very high	6 Å²	6	16 Å²	16	3%	0.031	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	138.2	-176.1	-53.2	-178.5	0	0	0	108.3	L177 A178 R179 T295 I299 Q330 S331	I147-L177 HydrophobicContact CG2-CD1 3.3Å; I147-L177 HydrophobicContact CG2-CD2 4.47Å; I147-L177 HydrophobicContact CG2-CG 4.12Å; I147-A178 WeakPolarHBondContact CA-O 3.35Å; I147-A178 WeakPolarHBondContact CG2-O 3.38Å; I147-R179 HydrophobicContact CG1-CG 4.26Å; I147-R179 HydrophobicContact CG2-CG 4.35Å; I147-T295 HydrophobicContact CD1-CG2 3.67Å; I147-T295 HydrophobicContact CG1-CG2 3.9Å; I147-I299 HydrophobicContact CD1-CD1 3.53Å; I147-Q330 CarbonylContact O-C 3.05Å; I147-Q330 WeakPolarHBondContact O-CA 3.4Å; I147-S331 PolarHBondContact N-O 2.7Å; I147-S331 PolarHBondContact O-N 3.05Å
148	S	96.3	Very high	92.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	132.5	171.8	63.3	0	0	0	0	108.5	S134 A178 V329	S134-S148 WeakPolarHBondContact CA-OG 3.05Å; S134-S148 WeakPolarHBondContact CB-OG 3.49Å; S134-S148 PolarHBondContact O-OG 3Å; S148-A178 PolarHBondContact N-O 2.9Å; S148-A178 PolarHBondContact O-N 3.13Å; S148-V329 CarbonylContact C-O 3.53Å; S148-V329 WeakPolarHBondContact CA-O 3.45Å
149	G	95.4	Very high	91.7	Very high	2 Å²	2	17.1 Å²	17.1	2%	0.021	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	157.4	179.5	0	0	0	0	0	113.4	P176 V328 V329	G149-P176 WeakPolarHBondContact CA-O 3.46Å; G149-V328 WeakPolarHBondContact O-CA 3.31Å; G149-V329 PolarHBondContact N-O 3.48Å; G149-V329 PolarHBondContact O-N 2.86Å
150	V	95.6	Very high	91.3	Very high	6 Å²	6	18 Å²	18	4%	0.036	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.3	173.1	-173.8	0	0	0	0	106.9	Y107 Y130 M152 A175 P176 L306 V328	Y107-V150 HydrophobicContact CD2-CG2 4.17Å; Y107-V150 HydrophobicContact CE2-CG2 3.43Å; Y107-V150 VanDerWaalsContact CE2-CG2 3.43Å; Y130-V150 HydrophobicContact CD1-CB 4.47Å; Y130-V150 HydrophobicContact CD1-CG2 4.28Å; Y130-V150 HydrophobicContact CE1-CG1 4.44Å; V150-M152 HydrophobicContact CG1-CE 3.63Å; V150-M152 HydrophobicContact CG1-CG 4.45Å; V150-M152 HydrophobicContact CG1-SD 4.11Å; V150-A175 CarbonylContact O-C 3.55Å; V150-A175 WeakPolarHBondContact O-CA 3.18Å; V150-P176 HydrophobicContact CB-CG 4.18Å; V150-P176 PolarHBondContact N-O 3.26Å; V150-P176 WeakPolarHBondContact O-CD 3.42Å; V150-L306 HydrophobicContact CG1-CD2 3.67Å; V150-V328 HydrophobicContact CG2-CG2 4.4Å
151	F	94.4	Very high	91	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.7	-177.2	-67.4	-99	0	0	0	109	A175 L177 L204 Y212 Y222 G326 V327 V329	F151-A175 HydrophobicContact CB-CB 4.44Å; F151-A175 HydrophobicContact CD1-CB 3.53Å; F151-A175 HydrophobicContact CE1-CB 4Å; F151-A175 HydrophobicContact CG-CB 4.12Å; F151-L177 HydrophobicContact CE2-CD1 3.96Å; F151-L177 HydrophobicContact CZ-CB 4.42Å; F151-L177 HydrophobicContact CZ-CD1 3.78Å; F151-L177 HydrophobicContact CZ-CD2 4.34Å; F151-L177 HydrophobicContact CZ-CG 4.42Å; F151-L204 HydrophobicContact CE1-CD1 3.64Å; F151-L204 HydrophobicContact CZ-CD1 3.99Å; F151-Y212 HydrophobicContact CB-CE2 4.42Å; F151-Y212 HydrophobicContact CD1-CD2 4.17Å; F151-Y212 HydrophobicContact CD1-CE2 4.3Å; F151-Y212 HydrophobicContact CD1-CG 4.37Å; F151-Y222 AromaticContact CD1-CE2 3.73Å; F151-Y222 HydrophobicContact CD1-CE2 3.73Å; F151-Y222 HydrophobicContact CD2-CD2 4.25Å; F151-Y222 AromaticContact CD2-CE2 3.92Å; F151-Y222 HydrophobicContact CD2-CE2 3.92Å; F151-Y222 AromaticContact CE1-CE2 3.39Å; F151-Y222 HydrophobicContact CE1-CE2 3.39Å; F151-Y222 AromaticContact CE1-CZ 3.79Å; F151-Y222 WeakPolarHBondContact CE1-OH 3.06Å; F151-Y222 HydrophobicContact CE2-CD2 4.17Å; F151-Y222 AromaticContact CE2-CE2 3.61Å; F151-Y222 HydrophobicContact CE2-CE2 3.61Å; F151-Y222 HydrophobicContact CG-CD2 4.46Å; F151-Y222 AromaticContact CG-CE2 3.97Å; F151-Y222 HydrophobicContact CG-CE2 3.97Å; F151-Y222 HydrophobicContact CZ-CD2 4.31Å; F151-Y222 AromaticContact CZ-CE2 3.32Å; F151-Y222 HydrophobicContact CZ-CE2 3.32Å; F151-Y222 AromaticContact CZ-CZ 3.59Å; F151-Y222 WeakPolarHBondContact CZ-OH 3.47Å; F151-G326 CarbonylContact O-C 3.44Å; F151-G326 WeakPolarHBondContact O-CA 3.21Å; F151-V327 HydrophobicContact CB-CG2 3.81Å; F151-V327 PolarHBondContact N-O 2.05Å; F151-V327 PolarHBondContact O-N 3.04Å; F151-V329 HydrophobicContact CD2-CB 4.18Å; F151-V329 HydrophobicContact CD2-CG2 3.56Å; F151-V329 HydrophobicContact CE2-CB 3.92Å; F151-V329 HydrophobicContact CE2-CG2 3.7Å
152	M	93.9	Very high	90.7	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	148.7	-178	-57.1	-73	-160	0	0	110.6	Y130 V150 T157 F174 Y212 L306 I325	Y130-M152 HydrophobicContact CE1-CE 4.08Å; V150-M152 HydrophobicContact CG1-CE 3.63Å; V150-M152 HydrophobicContact CG1-CG 4.45Å; V150-M152 HydrophobicContact CG1-SD 4.11Å; M152-T157 HydrophobicContact CB-CG2 3.24Å; M152-T157 HydrophobicContact CE-CG2 4.37Å; M152-T157 HydrophobicContact CG-CG2 3.27Å; M152-T157 HydrophobicContact SD-CG2 4Å; M152-F174 WeakPolarHBondContact CB-O 3.44Å; M152-F174 HydrophobicContact CG-CD1 4.12Å; M152-F174 PolarHBondContact N-O 2.03Å; M152-Y212 VanDerWaalsContact O-CE2 3.29Å; M152-Y212 WeakPolarHBondContact O-CE2 3.35Å; M152-Y212 PolarHBondContact O-OH 2.91Å; M152-L306 HydrophobicContact CE-CD1 4.19Å; M152-L306 HydrophobicContact CE-CD2 4.17Å; M152-L306 HydrophobicContact SD-CD1 4.05Å; M152-L306 HydrophobicContact SD-CD2 4.05Å; M152-I325 HydrophobicContact SD-CD1 4.18Å
153	D	91.8	Very high	90.3	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-72.2	163.1	175.9	-171.4	14.6	0	0	0	110.5	N155 T156 I233 P234 R323 I325	D153-N155 PolarHBondContact O-N 3.19Å; D153-T156 HydrophobicContact CB-CG2 3.77Å; D153-T156 PolarHBondContact N-OG1 2.99Å; D153-T156 PolarHBondContact O-N 2.56Å; D153-T156 PolarHBondContact O-OG1 2.97Å; D153-I233 HydrophobicContact CB-CB 4.18Å; D153-I233 HydrophobicContact CB-CD1 4.49Å; D153-I233 HydrophobicContact CB-CG2 4.1Å; D153-P234 WeakPolarHBondContact OD2-CA 3.06Å; D153-R323 IonicContact OD2-CZ 3.82Å; D153-R323 IonicContact OD2-NH2 2.78Å; D153-R323 PolarHBondContact OD2-NH2 2.88Å; D153-I325 VanDerWaalsContact CB-O 3.29Å; D153-I325 WeakPolarHBondContact CB-O 3.05Å; D153-I325 PolarHBondContact N-O 3.45Å
154	T	90.8	Very high	89.8	Confident	62 Å²	62	21.6 Å²	21.6	38%	0.38	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	129.3	179.4	51.6	0	0	0	0	112.5	T156 P172 L173 T213	T154-T156 WeakPolarHBondContact O-CG2 3.31Å; T154-T156 PolarHBondContact O-N 3.48Å; T154-P172 CarbonylContact C-O 3.54Å; T154-P172 VanDerWaalsContact CA-O 3.26Å; T154-P172 WeakPolarHBondContact CA-O 3.38Å; T154-L173 HydrophobicContact CG2-CD2 3.67Å; T154-T213 HydrophobicContact CG2-CG2 4.36Å
155	N	91.4	Very high	89.1	Confident	95 Å²	95	31.3 Å²	31.3	51%	0.508	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	30.4	176.7	-67.9	-32.8	0	0	0	115	D153 T170 L171 P172	D153-N155 PolarHBondContact O-N 3.19Å; N155-T170 WeakPolarHBondContact CA-OG1 3.06Å; N155-T170 WeakPolarHBondContact O-CB 3.37Å; N155-T170 WeakPolarHBondContact O-CG2 3.33Å; N155-T170 PolarHBondContact O-OG1 3.14Å; N155-L171 VanDerWaalsContact CA-O 3.25Å; N155-L171 WeakPolarHBondContact CA-O 3.43Å; N155-L171 PolarHBondContact N-O 3.03Å; N155-P172 PolarHBondContact N-O 2.88Å; N155-P172 WeakPolarHBondContact OD1-CA 3.2Å
156	T	90.3	Very high	88.4	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.018	19%	0.185	C	C	.	.			trans	-109.6	-3.1	-177.2	63.8	0	0	0	0	115.8	D153 T154 M310 I325	D153-T156 HydrophobicContact CB-CG2 3.77Å; D153-T156 PolarHBondContact N-OG1 2.99Å; D153-T156 PolarHBondContact O-N 2.56Å; D153-T156 PolarHBondContact O-OG1 2.97Å; T154-T156 WeakPolarHBondContact O-CG2 3.31Å; T154-T156 PolarHBondContact O-N 3.48Å; T156-M310 HydrophobicContact CG2-CE 4.19Å; T156-M310 WeakPolarHBondContact O-CE 3.41Å; T156-I325 HydrophobicContact CG2-CB 4.42Å; T156-I325 HydrophobicContact CG2-CG2 4.46Å; T156-I325 PolarHBondContact OG1-O 2.72Å
157	T	90.8	Very high	87.7	Confident	9 Å²	9	40.3 Å²	40.3	6%	0.055	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.7	-174	50.2	0	0	0	0	112.1	M152 T170 L171 F174	M152-T157 HydrophobicContact CB-CG2 3.24Å; M152-T157 HydrophobicContact CE-CG2 4.37Å; M152-T157 HydrophobicContact CG-CG2 3.27Å; M152-T157 HydrophobicContact SD-CG2 4Å; T157-T170 CarbonylContact O-C 3.58Å; T157-T170 WeakPolarHBondContact O-CA 3.49Å; T157-T170 WeakPolarHBondContact O-CB 3.49Å; T157-L171 PolarHBondContact O-N 2.52Å; T157-L171 VanDerWaalsContact OG1-CB 3.31Å; T157-L171 WeakPolarHBondContact OG1-CB 3.47Å; T157-F174 HydrophobicContact CG2-CB 4.23Å; T157-F174 HydrophobicContact CG2-CD1 4.24Å
158	Y	89.5	Confident	87.1	Confident	20 Å²	20	44.9 Å²	44.9	8%	0.078	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	116.7	172.6	-60.7	-82.6	0	0	0	109	N160 I167 T170 M310 P311 R312 Y313	Y158-N160 PolarHBondContact O-N 2.71Å; Y158-I167 WeakPolarHBondContact CD1-O 3.08Å; Y158-T170 HydrophobicContact CD1-CG2 3.77Å; Y158-T170 HydrophobicContact CE1-CG2 3.47Å; Y158-T170 VanDerWaalsContact CE1-CG2 3.47Å; Y158-T170 HydrophobicContact CE2-CG2 4.27Å; Y158-T170 HydrophobicContact CG-CG2 4.29Å; Y158-M310 HydrophobicContact CE2-CE 4.01Å; Y158-P311 WeakPolarHBondContact OH-CA 3.4Å; Y158-R312 HydrophobicContact CD2-CB 4.01Å; Y158-R312 HydrophobicContact CE2-CB 3.42Å; Y158-R312 VanDerWaalsContact CE2-CB 3.42Å; Y158-R312 PolarHBondContact OH-N 2.92Å; Y158-Y313 AromaticContact CD1-CD2 3.83Å; Y158-Y313 HydrophobicContact CD1-CD2 3.83Å; Y158-Y313 AromaticContact CD1-CE2 3.98Å; Y158-Y313 HydrophobicContact CD1-CE2 3.98Å; Y158-Y313 HydrophobicContact CD2-CE2 4.37Å; Y158-Y313 AromaticContact CE1-CD2 3.99Å; Y158-Y313 HydrophobicContact CE1-CD2 3.99Å; Y158-Y313 HydrophobicContact CG-CD2 4.14Å; Y158-Y313 AromaticContact CG-CE2 3.87Å; Y158-Y313 HydrophobicContact CG-CE2 3.87Å
159	A	84.9	Confident	86.6	Confident	10 Å²	10	49.5 Å²	49.5	8%	0.083	25%	0.247	C	C	.	.			trans	-87.7	105.8	-178.4	0	0	0	0	0	111.1	W161 Y162 L171	A159-W161 HydrophobicContact CB-CZ2 4.26Å; A159-Y162 HydrophobicContact CB-CD2 3.81Å; A159-L171 HydrophobicContact CB-CD1 3.9Å; A159-L171 HydrophobicContact CB-CD2 3.73Å; A159-L171 HydrophobicContact CB-CG 3.86Å
160	N	86.1	Confident	86.4	Confident	22 Å²	22	50.8 Å²	50.8	12%	0.118	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-14.8	174.9	69.1	-28.6	0	0	0	113.9	P121 L124 P125 Y158 Y162	P121-N160 WeakPolarHBondContact O-CB 3.28Å; P121-N160 PolarHBondContact O-ND2 3.14Å; L124-N160 HydrophobicContact CB-CB 4.5Å; L124-N160 WeakPolarHBondContact CB-ND2 3.21Å; L124-N160 HydrophobicContact CD1-CB 4.5Å; L124-N160 PolarHBondContact O-ND2 3.01Å; P125-N160 PolarHBondContact O-OD1 3.22Å; Y158-N160 PolarHBondContact O-N 2.71Å; N160-Y162 VanDerWaalsContact C-N 3.3Å
161	W	88.2	Confident	86.1	Confident	5 Å²	5	50.5 Å²	50.5	2%	0.019	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	3.5	176.6	53.6	76.6	0	0	0	113.6	L127 Y130 A159 L171 F174 L659 K660	L127-W161 HydrophobicContact CB-CB 4.22Å; L127-W161 HydrophobicContact CB-CD2 3.73Å; L127-W161 HydrophobicContact CB-CE3 4Å; L127-W161 HydrophobicContact CB-CG 3.82Å; L127-W161 HydrophobicContact CD1-CD2 4.45Å; L127-W161 HydrophobicContact CD1-CZ2 4.19Å; Y130-W161 HydrophobicContact CD2-CH2 4.25Å; Y130-W161 HydrophobicContact CD2-CZ3 4.06Å; Y130-W161 HydrophobicContact CE2-CH2 4.04Å; Y130-W161 AromaticContact CE2-CZ3 3.79Å; Y130-W161 HydrophobicContact CE2-CZ3 3.79Å; A159-W161 HydrophobicContact CB-CZ2 4.26Å; W161-L171 HydrophobicContact CZ2-CD1 4.05Å; W161-F174 HydrophobicContact CH2-CD1 4.38Å; W161-F174 AromaticContact CH2-CE1 3.74Å; W161-F174 HydrophobicContact CH2-CE1 3.74Å; W161-F174 HydrophobicContact CH2-CE2 4.12Å; W161-F174 AromaticContact CH2-CZ 3.59Å; W161-F174 HydrophobicContact CH2-CZ 3.59Å; W161-F174 HydrophobicContact CZ2-CD2 4.17Å; W161-F174 HydrophobicContact CZ2-CE1 4.14Å; W161-F174 AromaticContact CZ2-CE2 3.72Å; W161-F174 HydrophobicContact CZ2-CE2 3.72Å; W161-F174 AromaticContact CZ2-CZ 3.7Å; W161-F174 HydrophobicContact CZ2-CZ 3.7Å; W161-L659 HydrophobicContact CB-CD1 4.12Å; W161-L659 HydrophobicContact CG-CD1 4.03Å; W161-L659 CarbonylContact O-C 3.6Å; W161-L659 WeakPolarHBondContact O-CA 3.15Å; W161-K660 WeakPolarHBondContact CB-O 3.43Å; W161-K660 PolarHBondContact O-N 3.27Å
162	Y	87	Confident	85.9	Confident	11 Å²	11	52.6 Å²	52.6	4%	0.043	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-112.4	136.5	169.7	-77.8	-67.9	0	0	0	109.6	A159 N160 L164 S658 L659 R764 D766 V767	A159-Y162 HydrophobicContact CB-CD2 3.81Å; N160-Y162 VanDerWaalsContact C-N 3.3Å; Y162-L164 PolarHBondContact O-N 3.21Å; Y162-S658 WeakPolarHBondContact CD1-O 3.36Å; Y162-L659 HydrophobicContact CD1-CD1 4.45Å; Y162-L659 HydrophobicContact CE1-CB 4.22Å; Y162-L659 HydrophobicContact CE1-CD1 4.02Å; Y162-L659 HydrophobicContact CE2-CD1 4.43Å; Y162-R764 VanDerWaalsContact OH-CG 3.25Å; Y162-R764 WeakPolarHBondContact OH-CG 3.37Å; Y162-D766 VanDerWaalsContact OH-C 3.29Å; Y162-D766 PolarHBondContact OH-O 2.97Å; Y162-V767 HydrophobicContact CD1-CG2 3.77Å; Y162-V767 HydrophobicContact CD2-CG2 3.84Å; Y162-V767 HydrophobicContact CE1-CG2 4.09Å; Y162-V767 HydrophobicContact CE2-CG2 4.13Å; Y162-V767 HydrophobicContact CG-CG2 3.66Å
163	E	78.1	Confident	85.8	Confident	138 Å²	138	53.3 Å²	53.3	65%	0.645	27%	0.27	S	S	*	.			trans	-74.7	74.6	171.1	-67.9	-171.9	170.2	0	0	110.3	S658	E163-S658 PolarHBondContact N-O 2.87Å
164	L	73.4	Confident	85.9	Confident	46 Å²	46	53.1 Å²	53.1	24%	0.241	27%	0.269	C	S	.	.			trans	-83.3	134.4	178.3	-61.6	176.1	0	0	0	110.3	Y162 D166 K169 V767	Y162-L164 PolarHBondContact O-N 3.21Å; L164-D166 VanDerWaalsContact C-N 3.29Å; L164-K169 HydrophobicContact CD1-CB 4.25Å; L164-K169 HydrophobicContact CD2-CD 4.29Å; L164-V767 HydrophobicContact CD2-CG1 4.22Å; L164-V767 HydrophobicContact CD2-CG2 3.77Å
165	K	73.4	Confident	86.1	Confident	210 Å²	210	50.1 Å²	50.1	91%	0.913	25%	0.251	S	S	*	.	S	Bend	trans	-63.6	-37	171	-66.4	-175.7	179	-178	0	111.9
166	D	78.5	Confident	86.2	Confident	116 Å²	116	45.7 Å²	45.7	62%	0.62	23%	0.227	S	C	*	.			trans	-107.1	113.1	179.8	-65.2	-35.1	0	0	0	111.1	L164 N168 K169	L164-D166 VanDerWaalsContact C-N 3.29Å; D166-N168 PolarHBondContact O-N 2.91Å; D166-K169 HydrophobicContact CB-CB 4.43Å; D166-K169 WeakPolarHBondContact O-CB 3.41Å; D166-K169 PolarHBondContact O-N 3.12Å
167	I	77.3	Confident	86.4	Confident	80 Å²	80	45.7 Å²	45.7	41%	0.41	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.6	178	-61.9	163.5	0	0	0	111.7	P121 Y158 K169 Y313	P121-I167 HydrophobicContact CG-CG2 4.49Å; Y158-I167 WeakPolarHBondContact CD1-O 3.08Å; I167-K169 VanDerWaalsContact C-N 3.26Å; I167-K169 PolarHBondContact O-N 2.04Å; I167-Y313 HydrophobicContact CG2-CD2 3.5Å; I167-Y313 VanDerWaalsContact CG2-CD2 3.5Å; I167-Y313 HydrophobicContact CG2-CE2 3.76Å; I167-Y313 HydrophobicContact CG2-CG 3.95Å
168	N	81.7	Confident	86.7	Confident	102 Å²	102	45.3 Å²	45.3	55%	0.545	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-4.7	-180	-77.6	-21.5	0	0	0	114.3	D166 T170 Y313	D166-N168 PolarHBondContact O-N 2.91Å; N168-T170 PolarHBondContact O-N 3.27Å; N168-Y313 WeakPolarHBondContact OD1-CB 3.38Å; N168-Y313 PolarHBondContact OD1-O 2.66Å
169	K	86.4	Confident	86.9	Confident	96 Å²	96	45.7 Å²	45.7	42%	0.417	23%	0.226	S	C	.	.			trans	-76.1	114.8	-179.8	-174.7	175.1	-177.9	-179.9	0	110.3	L164 D166 I167	L164-K169 HydrophobicContact CD1-CB 4.25Å; L164-K169 HydrophobicContact CD2-CD 4.29Å; D166-K169 HydrophobicContact CB-CB 4.43Å; D166-K169 WeakPolarHBondContact O-CB 3.41Å; D166-K169 PolarHBondContact O-N 3.12Å; I167-K169 VanDerWaalsContact C-N 3.26Å; I167-K169 PolarHBondContact O-N 2.04Å
170	T	90.2	Very high	87.3	Confident	29 Å²	29	46.4 Å²	46.4	18%	0.178	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	157.9	174.9	55.9	0	0	0	0	111.9	N155 T157 Y158 N168	N155-T170 WeakPolarHBondContact CA-OG1 3.06Å; N155-T170 WeakPolarHBondContact O-CB 3.37Å; N155-T170 WeakPolarHBondContact O-CG2 3.33Å; N155-T170 PolarHBondContact O-OG1 3.14Å; T157-T170 CarbonylContact O-C 3.58Å; T157-T170 WeakPolarHBondContact O-CA 3.49Å; T157-T170 WeakPolarHBondContact O-CB 3.49Å; Y158-T170 HydrophobicContact CD1-CG2 3.77Å; Y158-T170 HydrophobicContact CE1-CG2 3.47Å; Y158-T170 VanDerWaalsContact CE1-CG2 3.47Å; Y158-T170 HydrophobicContact CE2-CG2 4.27Å; Y158-T170 HydrophobicContact CG-CG2 4.29Å; N168-T170 PolarHBondContact O-N 3.27Å
171	L	90.6	Very high	87.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	143.3	171.9	-51.4	173.5	0	0	0	110.1	N155 T157 A159 W161 L173 F174 V767	N155-L171 VanDerWaalsContact CA-O 3.25Å; N155-L171 WeakPolarHBondContact CA-O 3.43Å; N155-L171 PolarHBondContact N-O 3.03Å; T157-L171 PolarHBondContact O-N 2.52Å; T157-L171 VanDerWaalsContact OG1-CB 3.31Å; T157-L171 WeakPolarHBondContact OG1-CB 3.47Å; A159-L171 HydrophobicContact CB-CD1 3.9Å; A159-L171 HydrophobicContact CB-CD2 3.73Å; A159-L171 HydrophobicContact CB-CG 3.86Å; W161-L171 HydrophobicContact CZ2-CD1 4.05Å; L171-L173 PolarHBondContact O-N 2.7Å; L171-F174 HydrophobicContact CD1-CB 3.93Å; L171-F174 HydrophobicContact CD1-CD2 4.25Å; L171-F174 HydrophobicContact CD1-CG 4.15Å; L171-V767 HydrophobicContact CD2-CG1 3.65Å; L171-V767 WeakPolarHBondContact CD2-O 3.19Å
172	P	90.6	Very high	87.3	Confident	45 Å²	45	51.2 Å²	51.2	29%	0.292	25%	0.252	S	S	.	.	S	Bend	trans	-59.1	-50.3	177.1	22.5	-32.2	0	0	0	111.7	T154 N155 N768	T154-P172 CarbonylContact C-O 3.54Å; T154-P172 VanDerWaalsContact CA-O 3.26Å; T154-P172 WeakPolarHBondContact CA-O 3.38Å; N155-P172 PolarHBondContact N-O 2.88Å; N155-P172 WeakPolarHBondContact OD1-CA 3.2Å; P172-N768 WeakPolarHBondContact CG-O 3.38Å
173	L	92	Very high	87	Confident	16 Å²	16	51.3 Å²	51.3	8%	0.084	25%	0.254	C	S	.	.			trans	-146.3	148.8	174.9	-70.1	173.6	0	0	0	109.3	T154 L171 N210 N211 Y212 T213 R764	T154-L173 HydrophobicContact CG2-CD2 3.67Å; L171-L173 PolarHBondContact O-N 2.7Å; L173-N210 WeakPolarHBondContact CD1-O 3.23Å; L173-N211 HydrophobicContact CD1-CB 4.37Å; L173-Y212 HydrophobicContact CB-CE1 3.89Å; L173-Y212 HydrophobicContact CD1-CE1 4.33Å; L173-Y212 HydrophobicContact CD2-CE1 4.19Å; L173-Y212 HydrophobicContact CD2-CE2 4.06Å; L173-Y212 HydrophobicContact CG-CE1 4.37Å; L173-T213 HydrophobicContact CD2-CG2 3.86Å; L173-R764 PolarHBondContact O-NH1 3.45Å; L173-R764 PolarHBondContact O-NH2 3.03Å
174	F	93.8	Very high	87.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.			trans	-154.3	117.7	177.5	176.4	-114.1	0	0	0	108.9	L127 Y130 M152 T157 W161 L171 P176 D203 Y212	L127-F174 HydrophobicContact CD1-CE2 3.79Å; L127-F174 HydrophobicContact CD1-CZ 4.04Å; Y130-F174 HydrophobicContact CD1-CE1 4.29Å; Y130-F174 HydrophobicContact CD2-CE1 4.14Å; Y130-F174 HydrophobicContact CD2-CZ 4.15Å; Y130-F174 HydrophobicContact CE1-CE1 4.4Å; Y130-F174 HydrophobicContact CE2-CE1 4.27Å; Y130-F174 HydrophobicContact CG-CE1 4.16Å; Y130-F174 HydrophobicContact CG-CZ 4.21Å; M152-F174 WeakPolarHBondContact CB-O 3.44Å; M152-F174 HydrophobicContact CG-CD1 4.12Å; M152-F174 PolarHBondContact N-O 2.03Å; T157-F174 HydrophobicContact CG2-CB 4.23Å; T157-F174 HydrophobicContact CG2-CD1 4.24Å; W161-F174 HydrophobicContact CH2-CD1 4.38Å; W161-F174 AromaticContact CH2-CE1 3.74Å; W161-F174 HydrophobicContact CH2-CE1 3.74Å; W161-F174 HydrophobicContact CH2-CE2 4.12Å; W161-F174 AromaticContact CH2-CZ 3.59Å; W161-F174 HydrophobicContact CH2-CZ 3.59Å; W161-F174 HydrophobicContact CZ2-CD2 4.17Å; W161-F174 HydrophobicContact CZ2-CE1 4.14Å; W161-F174 AromaticContact CZ2-CE2 3.72Å; W161-F174 HydrophobicContact CZ2-CE2 3.72Å; W161-F174 AromaticContact CZ2-CZ 3.7Å; W161-F174 HydrophobicContact CZ2-CZ 3.7Å; L171-F174 HydrophobicContact CD1-CB 3.93Å; L171-F174 HydrophobicContact CD1-CD2 4.25Å; L171-F174 HydrophobicContact CD1-CG 4.15Å; F174-P176 HydrophobicContact CE1-CG 3.83Å; F174-P176 HydrophobicContact CE2-CG 4.39Å; F174-P176 HydrophobicContact CZ-CB 4.38Å; F174-P176 HydrophobicContact CZ-CG 3.74Å; F174-D203 WeakPolarHBondContact CD2-OD2 3.34Å; F174-Y212 PolarHBondContact N-OH 3.15Å; F174-Y212 VanDerWaalsContact N-OH 3.13Å; F174-Y212 PolarHBondContact O-OH 3.4Å; F174-Y212 VanDerWaalsContact O-OH 3.07Å
175	A	93.8	Very high	87.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.265	C	S	.	.			trans	-146.1	81.6	-178.7	0	0	0	0	0	112.3	V150 F151 L177 D203 L204 Y212	V150-A175 CarbonylContact O-C 3.55Å; V150-A175 WeakPolarHBondContact O-CA 3.18Å; F151-A175 HydrophobicContact CB-CB 4.44Å; F151-A175 HydrophobicContact CD1-CB 3.53Å; F151-A175 HydrophobicContact CE1-CB 4Å; F151-A175 HydrophobicContact CG-CB 4.12Å; A175-L177 PolarHBondContact O-N 2.98Å; A175-L177 VanDerWaalsContact O-N 3.16Å; A175-D203 PolarHBondContact N-OD1 2.9Å; A175-D203 CarbonylContact O-C 3.55Å; A175-D203 WeakPolarHBondContact O-CA 3.49Å; A175-L204 HydrophobicContact CB-CB 4Å; A175-L204 PolarHBondContact O-N 3.12Å; A175-Y212 HydrophobicContact CB-CD1 3.96Å; A175-Y212 HydrophobicContact CB-CE1 3.33Å; A175-Y212 HydrophobicContact CB-CE2 4.4Å
176	P	94.8	Very high	88.1	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	113.6	171.3	27	-35	0	0	0	110.1	Y130 Y131 G149 V150 F174	Y130-P176 HydrophobicContact CD1-CG 4.15Å; Y130-P176 HydrophobicContact CG-CG 4.24Å; Y131-P176 HydrophobicContact CD2-CB 4.04Å; Y131-P176 HydrophobicContact CE2-CB 3.8Å; G149-P176 WeakPolarHBondContact CA-O 3.46Å; V150-P176 HydrophobicContact CB-CG 4.18Å; V150-P176 PolarHBondContact N-O 3.26Å; V150-P176 WeakPolarHBondContact O-CD 3.42Å; F174-P176 HydrophobicContact CE1-CG 3.83Å; F174-P176 HydrophobicContact CE2-CG 4.39Å; F174-P176 HydrophobicContact CZ-CB 4.38Å; F174-P176 HydrophobicContact CZ-CG 3.74Å
177	L	94.6	Very high	88.2	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.9	177.8	-178.4	67.5	0	0	0	109.7	I147 F151 A175 R179 I201 T202 L204	I147-L177 HydrophobicContact CG2-CD1 3.3Å; I147-L177 HydrophobicContact CG2-CD2 4.47Å; I147-L177 HydrophobicContact CG2-CG 4.12Å; F151-L177 HydrophobicContact CE2-CD1 3.96Å; F151-L177 HydrophobicContact CZ-CB 4.42Å; F151-L177 HydrophobicContact CZ-CD1 3.78Å; F151-L177 HydrophobicContact CZ-CD2 4.34Å; F151-L177 HydrophobicContact CZ-CG 4.42Å; A175-L177 PolarHBondContact O-N 2.98Å; A175-L177 VanDerWaalsContact O-N 3.16Å; L177-R179 HydrophobicContact CD2-CG 4.22Å; L177-R179 VanDerWaalsContact CD2-NH2 3.31Å; L177-R179 HydrophobicContact CG-CG 4.26Å; L177-I201 CarbonylContact O-C 3.59Å; L177-I201 VanDerWaalsContact O-CA 3.28Å; L177-I201 WeakPolarHBondContact O-CA 3.47Å; L177-T202 PolarHBondContact N-O 3.01Å; L177-T202 PolarHBondContact O-N 2.97Å; L177-L204 HydrophobicContact CB-CD1 4.06Å; L177-L204 HydrophobicContact CB-CG 4.11Å; L177-L204 HydrophobicContact CD2-CD1 3.42Å; L177-L204 VanDerWaalsContact CD2-CD1 3.42Å; L177-L204 HydrophobicContact CD2-CG 4.1Å; L177-L204 HydrophobicContact CG-CD1 4.33Å
178	A	95.9	Very high	88.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.7	168.5	0	0	0	0	0	110.6	I138 I147 S148 I199 E200 I201	I138-A178 VanDerWaalsContact CD1-C 3.43Å; I138-A178 HydrophobicContact CD1-CB 3.49Å; I138-A178 VanDerWaalsContact CD1-CB 3.49Å; I138-A178 WeakPolarHBondContact CD1-O 3.34Å; I147-A178 WeakPolarHBondContact CA-O 3.35Å; I147-A178 WeakPolarHBondContact CG2-O 3.38Å; S148-A178 PolarHBondContact N-O 2.9Å; S148-A178 PolarHBondContact O-N 3.13Å; A178-I199 HydrophobicContact CB-CG2 3.95Å; A178-E200 CarbonylContact C-O 3.3Å; A178-E200 VanDerWaalsContact CA-O 3.22Å; A178-E200 WeakPolarHBondContact CA-O 3.49Å; A178-I201 HydrophobicContact CB-CB 4.5Å; A178-I201 HydrophobicContact CB-CG1 3.89Å; A178-I201 HydrophobicContact CB-CG2 4.35Å
179	R	93.9	Very high	88.1	Confident	29 Å²	29	48 Å²	48	11%	0.109	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.2	176	-65.7	-176.4	173	116.7	-4.2	109.6	I147 L177 I199 E200 D291 T295	I147-R179 HydrophobicContact CG1-CG 4.26Å; I147-R179 HydrophobicContact CG2-CG 4.35Å; L177-R179 HydrophobicContact CD2-CG 4.22Å; L177-R179 VanDerWaalsContact CD2-NH2 3.31Å; L177-R179 HydrophobicContact CG-CG 4.26Å; R179-I199 CarbonylContact O-C 3.58Å; R179-I199 WeakPolarHBondContact O-CA 3.43Å; R179-E200 PolarHBondContact N-O 2.89Å; R179-E200 PolarHBondContact O-N 3.18Å; R179-D291 IonicContact NE-OD2 3.9Å; R179-T295 HydrophobicContact CB-CG2 4.33Å; R179-T295 HydrophobicContact CG-CG2 4.31Å
180	R	92.2	Very high	87.8	Confident	25 Å²	25	51.7 Å²	51.7	9%	0.094	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	129.1	168.6	-167.9	-176.2	-57.4	-89.4	-6.1	109.4	I138 G141 P142 I145 N146 N196	I138-R180 HydrophobicContact CG2-CB 3.94Å; I138-R180 HydrophobicContact CG2-CG 4.4Å; I138-R180 VanDerWaalsContact CG2-NH2 3.26Å; I138-R180 PolarHBondContact O-NH2 2.93Å; G141-R180 PolarHBondContact O-NH2 3.37Å; P142-R180 VanDerWaalsContact CA-NH2 3.27Å; I145-R180 PolarHBondContact O-NH2 3.24Å; N146-R180 PolarHBondContact O-N 3.12Å; R180-N196 PolarHBondContact NH1-O 3.43Å
181	L	89.1	Confident	87.5	Confident	50 Å²	50	55.3 Å²	55.3	26%	0.262	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	155	173.9	-68.8	-175.2	0	0	0	111.1	T198 E200	L181-T198 PolarHBondContact N-O 3.32Å; L181-T198 PolarHBondContact O-OG1 3.25Å; L181-T198 VanDerWaalsContact O-OG1 3.13Å; L181-E200 HydrophobicContact CD1-CB 3.48Å; L181-E200 VanDerWaalsContact CD1-CB 3.48Å; L181-E200 HydrophobicContact CD1-CG 4.44Å; L181-E200 HydrophobicContact CD2-CB 4.35Å; L181-E200 HydrophobicContact CG-CB 3.75Å
182	D	85.3	Confident	87.2	Confident	78 Å²	78	63.3 Å²	63.3	42%	0.417	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-82.1	127.9	163.5	-173.6	-1.1	0	0	0	108.8	W184 P194	D182-W184 PolarHBondContact OD1-N 3.11Å; D182-P194 WeakPolarHBondContact OD1-CB 3.46Å
183	N	81.9	Confident	87	Confident	13 Å²	13	65.9 Å²	65.9	7%	0.07	31%	0.307	C	S	.	.			trans	-104.5	14.1	-178.3	76.8	-34.8	0	0	0	114.1	N185 D186 N189 T195 T198	N183-N185 PolarHBondContact O-N 3.24Å; N183-N185 VanDerWaalsContact O-N 3.12Å; N183-D186 HydrophobicContact CB-CB 4.09Å; N183-D186 WeakPolarHBondContact CB-OD2 3.41Å; N183-D186 PolarHBondContact O-N 2.78Å; N183-N189 VanDerWaalsContact O-CB 3.25Å; N183-N189 WeakPolarHBondContact O-CB 3.48Å; N183-N189 PolarHBondContact O-ND2 3.17Å; N183-T195 PolarHBondContact ND2-OG1 3.04Å; N183-T195 PolarHBondContact OD1-N 2.98Å; N183-T195 PolarHBondContact OD1-OG1 2.94Å; N183-T198 HydrophobicContact CB-CG2 3.3Å; N183-T198 WeakPolarHBondContact CB-OG1 3.47Å
184	W	82.2	Confident	86.5	Confident	134 Å²	134	68.6 Å²	68.6	51%	0.508	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.1	179.8	97.3	-85.1	0	0	0	113	D182 R192	D182-W184 PolarHBondContact OD1-N 3.11Å; W184-R192 HydrophobicContact CE3-CB 4.13Å; W184-R192 VanDerWaalsContact O-CA 3.29Å; W184-R192 WeakPolarHBondContact O-CA 2.94Å; W184-R192 WeakPolarHBondContact O-CB 3.04Å
185	N	83.3	Confident	86	Confident	116 Å²	116	71.7 Å²	71.7	62%	0.62	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	11.8	179.3	-163.9	38.9	0	0	0	113.8	N183	N183-N185 PolarHBondContact O-N 3.24Å; N183-N185 VanDerWaalsContact O-N 3.12Å
186	D	82.2	Confident	85.6	Confident	43 Å²	43	74 Å²	74	23%	0.23	36%	0.357	C	S	.	.			trans	-73.7	135.9	173.3	-83.8	-12.5	0	0	0	109.8	N183 M188 N189 K760	N183-D186 HydrophobicContact CB-CB 4.09Å; N183-D186 WeakPolarHBondContact CB-OD2 3.41Å; N183-D186 PolarHBondContact O-N 2.78Å; D186-M188 PolarHBondContact O-N 3.43Å; D186-M188 VanDerWaalsContact O-N 3.08Å; D186-N189 HydrophobicContact CB-CB 4.42Å; D186-N189 WeakPolarHBondContact O-CB 3.39Å; D186-N189 PolarHBondContact O-N 3.37Å; D186-K760 IonicContact OD1-NZ 2.69Å; D186-K760 PolarHBondContact OD1-NZ 3.16Å; D186-K760 IonicContact OD2-NZ 2.6Å; D186-K760 PolarHBondContact OD2-NZ 3.12Å
187	E	80	Confident	85.3	Confident	196 Å²	196	74.5 Å²	74.5	92%	0.916	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-33.1	-178.3	-64.4	173.6	-179.7	0	0	113.2	N189	E187-N189 VanDerWaalsContact C-N 3.33Å
188	M	75.3	Confident	85.2	Confident	118 Å²	118	74.3 Å²	74.3	58%	0.581	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-15.9	179.5	-62.1	-57.4	-60.1	0	0	113.5	D186 F190	D186-M188 PolarHBondContact O-N 3.43Å; D186-M188 VanDerWaalsContact O-N 3.08Å; M188-F190 PolarHBondContact O-N 3.04Å
189	N	82	Confident	85.1	Confident	14 Å²	14	74.4 Å²	74.4	8%	0.075	36%	0.36	C	S	.	.			trans	-88.8	76.1	176.2	-174.1	7.1	0	0	0	110.1	N183 D186 E187 L191 R192 I193	N183-N189 VanDerWaalsContact O-CB 3.25Å; N183-N189 WeakPolarHBondContact O-CB 3.48Å; N183-N189 PolarHBondContact O-ND2 3.17Å; D186-N189 HydrophobicContact CB-CB 4.42Å; D186-N189 WeakPolarHBondContact O-CB 3.39Å; D186-N189 PolarHBondContact O-N 3.37Å; E187-N189 VanDerWaalsContact C-N 3.33Å; N189-L191 PolarHBondContact O-N 3.23Å; N189-R192 PolarHBondContact O-N 3.3Å; N189-R192 PolarHBondContact OD1-N 2.85Å; N189-I193 PolarHBondContact ND2-N 3.46Å; N189-I193 PolarHBondContact ND2-O 3.12Å
190	F	79.8	Confident	85.1	Confident	175 Å²	175	75.1 Å²	75.1	77%	0.768	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.7	-179.1	69.4	-87.2	0	0	0	113.3	M188 R192	M188-F190 PolarHBondContact O-N 3.04Å; F190-R192 VanDerWaalsContact C-N 3.28Å
191	L	83.5	Confident	85.3	Confident	105 Å²	105	74 Å²	74	55%	0.55	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-20.3	175.9	-66.2	178.1	0	0	0	112.6	N189 I193	N189-L191 PolarHBondContact O-N 3.23Å; L191-I193 HydrophobicContact CB-CB 4.45Å; L191-I193 HydrophobicContact CB-CD1 4.09Å; L191-I193 HydrophobicContact CB-CG1 4.17Å; L191-I193 PolarHBondContact O-N 2.75Å
192	R	85.5	Confident	85.5	Confident	168 Å²	168	72.2 Å²	72.2	63%	0.634	35%	0.352	S	S	*	.			trans	52.9	31.4	-174.2	-58.2	-176.5	177	-179.4	-2.8	113.7	W184 N189 F190	W184-R192 HydrophobicContact CE3-CB 4.13Å; W184-R192 VanDerWaalsContact O-CA 3.29Å; W184-R192 WeakPolarHBondContact O-CA 2.94Å; W184-R192 WeakPolarHBondContact O-CB 3.04Å; N189-R192 PolarHBondContact O-N 3.3Å; N189-R192 PolarHBondContact OD1-N 2.85Å; F190-R192 VanDerWaalsContact C-N 3.28Å
193	I	85.1	Confident	85.9	Confident	98 Å²	98	68.5 Å²	68.5	50%	0.503	33%	0.333	S	S	.	.			trans	-103.4	135.3	176.1	-63.6	169.4	0	0	0	108.2	N189 L191 T195	N189-I193 PolarHBondContact ND2-N 3.46Å; N189-I193 PolarHBondContact ND2-O 3.12Å; L191-I193 HydrophobicContact CB-CB 4.45Å; L191-I193 HydrophobicContact CB-CD1 4.09Å; L191-I193 HydrophobicContact CB-CG1 4.17Å; L191-I193 PolarHBondContact O-N 2.75Å; I193-T195 WeakPolarHBondContact O-CG2 3.38Å; I193-T195 PolarHBondContact O-N 3.43Å; I193-T195 VanDerWaalsContact O-N 3.1Å
194	P	82.4	Confident	86.3	Confident	74 Å²	74	69.2 Å²	69.2	48%	0.481	34%	0.336	S	S	.	.			trans	-61.1	114.6	175.8	25.5	-35.1	0	0	0	110.8	D182	D182-P194 WeakPolarHBondContact OD1-CB 3.46Å
195	T	82.9	Confident	86.7	Confident	64 Å²	64	62.9 Å²	62.9	39%	0.393	31%	0.313	S	S	.	.			trans	-99.9	-6	-177.8	62.1	0	0	0	0	114	N183 I193 A197	N183-T195 PolarHBondContact ND2-OG1 3.04Å; N183-T195 PolarHBondContact OD1-N 2.98Å; N183-T195 PolarHBondContact OD1-OG1 2.94Å; I193-T195 WeakPolarHBondContact O-CG2 3.38Å; I193-T195 PolarHBondContact O-N 3.43Å; I193-T195 VanDerWaalsContact O-N 3.1Å; T195-A197 PolarHBondContact O-N 3.28Å
196	N	85.1	Confident	87	Confident	50 Å²	50	57.6 Å²	57.6	27%	0.267	29%	0.285	S	S	.	.	S	Bend	trans	57	9	-173.4	-66.8	-36.5	0	0	0	114.8	R180	R180-N196 PolarHBondContact NH1-O 3.43Å
197	A	88.9	Confident	87.3	Confident	10 Å²	10	55.9 Å²	55.9	8%	0.083	28%	0.278	C	S	.	.			trans	-93.1	5.4	-172	0	0	0	0	0	114.5	T195 I757 T758	T195-A197 PolarHBondContact O-N 3.28Å; A197-I757 HydrophobicContact CB-CD1 4.22Å; A197-T758 PolarHBondContact O-N 3.44Å
198	T	92.2	Very high	87.2	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.9	-179.3	66.6	0	0	0	0	111.7	L181 N183 T758	L181-T198 PolarHBondContact N-O 3.32Å; L181-T198 PolarHBondContact O-OG1 3.25Å; L181-T198 VanDerWaalsContact O-OG1 3.13Å; N183-T198 HydrophobicContact CB-CG2 3.3Å; N183-T198 WeakPolarHBondContact CB-OG1 3.47Å; T198-T758 WeakPolarHBondContact CA-O 3.35Å
199	I	94.7	Very high	87	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125.3	-174	-56.1	171.6	0	0	0	107.9	A135 I138 A178 R179 I201 I757 T758 S759 K760	A135-I199 HydrophobicContact CB-CD1 4.25Å; A135-I199 HydrophobicContact CB-CG2 4.42Å; A135-I199 VanDerWaalsContact O-CD1 3.3Å; A135-I199 WeakPolarHBondContact O-CD1 3.16Å; I138-I199 HydrophobicContact CB-CD1 3.97Å; I138-I199 HydrophobicContact CB-CG1 4.49Å; I138-I199 HydrophobicContact CD1-CG2 3.96Å; I138-I199 HydrophobicContact CG2-CD1 3.89Å; I138-I199 HydrophobicContact CG2-CG1 3.99Å; A178-I199 HydrophobicContact CB-CG2 3.95Å; R179-I199 CarbonylContact O-C 3.58Å; R179-I199 WeakPolarHBondContact O-CA 3.43Å; I199-I201 HydrophobicContact CG2-CG1 4.2Å; I199-I757 HydrophobicContact CD1-CG2 3.95Å; I199-T758 PolarHBondContact N-O 2.7Å; I199-S759 CarbonylContact O-C 3.52Å; I199-S759 VanDerWaalsContact O-CA 3.26Å; I199-S759 WeakPolarHBondContact O-CA 3.34Å; I199-K760 PolarHBondContact O-N 2.84Å
200	E	94	Very high	86.5	Confident	44 Å²	44	53.4 Å²	53.4	21%	0.206	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	139.7	169.2	168.9	176	-141.9	0	0	109.6	A178 R179 L181 T202 K760 Y762	A178-E200 CarbonylContact C-O 3.3Å; A178-E200 VanDerWaalsContact CA-O 3.22Å; A178-E200 WeakPolarHBondContact CA-O 3.49Å; R179-E200 PolarHBondContact N-O 2.89Å; R179-E200 PolarHBondContact O-N 3.18Å; L181-E200 HydrophobicContact CD1-CB 3.48Å; L181-E200 VanDerWaalsContact CD1-CB 3.48Å; L181-E200 HydrophobicContact CD1-CG 4.44Å; L181-E200 HydrophobicContact CD2-CB 4.35Å; L181-E200 HydrophobicContact CG-CB 3.75Å; E200-T202 HydrophobicContact CG-CG2 3.86Å; E200-K760 WeakPolarHBondContact CA-O 3.35Å; E200-Y762 HydrophobicContact CG-CD2 3.97Å; E200-Y762 HydrophobicContact CG-CE2 3.94Å; E200-Y762 WeakPolarHBondContact OE1-CE2 2.83Å
201	I	95.4	Very high	86.8	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.4	178.5	-47.2	156.8	0	0	0	107.4	Y131 A135 L177 A178 I199 K760 P761 Y762	Y131-I201 HydrophobicContact CD1-CB 3.76Å; Y131-I201 HydrophobicContact CD1-CD1 4.22Å; Y131-I201 HydrophobicContact CD1-CG2 3.32Å; Y131-I201 HydrophobicContact CD2-CG2 4.34Å; Y131-I201 HydrophobicContact CE1-CB 4.14Å; Y131-I201 HydrophobicContact CE1-CG2 3.69Å; Y131-I201 HydrophobicContact CG-CB 4.49Å; Y131-I201 HydrophobicContact CG-CG2 3.7Å; Y131-I201 WeakPolarHBondContact O-CD1 3.39Å; A135-I201 HydrophobicContact CB-CD1 4.01Å; L177-I201 CarbonylContact O-C 3.59Å; L177-I201 VanDerWaalsContact O-CA 3.28Å; L177-I201 WeakPolarHBondContact O-CA 3.47Å; A178-I201 HydrophobicContact CB-CB 4.5Å; A178-I201 HydrophobicContact CB-CG1 3.89Å; A178-I201 HydrophobicContact CB-CG2 4.35Å; I199-I201 HydrophobicContact CG2-CG1 4.2Å; I201-K760 PolarHBondContact N-O 3.11Å; I201-P761 CarbonylContact O-C 3.55Å; I201-P761 WeakPolarHBondContact O-CA 3.1Å; I201-Y762 PolarHBondContact O-N 2.73Å
202	T	93.4	Very high	86.9	Confident	14 Å²	14	43 Å²	43	9%	0.086	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.1	-177.4	51.5	0	0	0	0	110.3	L177 E200 L204 Y762	L177-T202 PolarHBondContact N-O 3.01Å; L177-T202 PolarHBondContact O-N 2.97Å; E200-T202 HydrophobicContact CG-CG2 3.86Å; T202-L204 PolarHBondContact O-N 2.73Å; T202-Y762 HydrophobicContact CG2-CD2 3.7Å; T202-Y762 HydrophobicContact CG2-CG 4.03Å
203	D	93.4	Very high	87	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	102.6	166.3	-175.5	5.4	0	0	0	109.6	Y131 F174 A175 G205 A206 Y762 R764	Y131-D203 WeakPolarHBondContact OH-CB 3.04Å; F174-D203 WeakPolarHBondContact CD2-OD2 3.34Å; A175-D203 PolarHBondContact N-OD1 2.9Å; A175-D203 CarbonylContact O-C 3.55Å; A175-D203 WeakPolarHBondContact O-CA 3.49Å; D203-G205 PolarHBondContact O-N 3.33Å; D203-G205 WeakPolarHBondContact OD1-CA 3.34Å; D203-G205 PolarHBondContact OD1-N 3.16Å; D203-A206 HydrophobicContact CB-CB 4.32Å; D203-A206 PolarHBondContact O-N 3.05Å; D203-A206 VanDerWaalsContact O-N 3.14Å; D203-Y762 PolarHBondContact N-O 3.44Å; D203-R764 WeakPolarHBondContact OD2-CD 3.33Å; D203-R764 IonicContact OD2-CZ 2.79Å; D203-R764 IonicContact OD2-NE 3.51Å; D203-R764 IonicContact OD2-NH1 3.57Å; D203-R764 PolarHBondContact OD2-NH1 3.47Å
204	L	90.9	Very high	86.9	Confident	28 Å²	28	32 Å²	32	15%	0.147	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.2	176.1	-68.8	-176.2	0	0	0	113.3	F151 A175 L177 T202 A206 N210 Y212	F151-L204 HydrophobicContact CE1-CD1 3.64Å; F151-L204 HydrophobicContact CZ-CD1 3.99Å; A175-L204 HydrophobicContact CB-CB 4Å; A175-L204 PolarHBondContact O-N 3.12Å; L177-L204 HydrophobicContact CB-CD1 4.06Å; L177-L204 HydrophobicContact CB-CG 4.11Å; L177-L204 HydrophobicContact CD2-CD1 3.42Å; L177-L204 VanDerWaalsContact CD2-CD1 3.42Å; L177-L204 HydrophobicContact CD2-CG 4.1Å; L177-L204 HydrophobicContact CG-CD1 4.33Å; T202-L204 PolarHBondContact O-N 2.73Å; L204-A206 VanDerWaalsContact C-N 3.28Å; L204-N210 WeakPolarHBondContact O-CA 3.5Å; L204-Y212 HydrophobicContact CB-CD1 4.2Å
205	G	90.4	Very high	86.8	Confident	1 Å²	1	33 Å²	33	1%	0.01	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-1.3	171.8	0	0	0	0	0	114.5	D203 N210	D203-G205 PolarHBondContact O-N 3.33Å; D203-G205 WeakPolarHBondContact OD1-CA 3.34Å; D203-G205 PolarHBondContact OD1-N 3.16Å; G205-N210 WeakPolarHBondContact O-CB 3.31Å; G205-N210 PolarHBondContact O-ND2 2.67Å
206	A	90.4	Very high	86.6	Confident	4 Å²	4	37.8 Å²	37.8	3%	0.033	21%	0.21	C	C	.	.	S	Bend	trans	-122.2	151.5	-178	0	0	0	0	0	112.9	D203 L204 N210 R764 G769 I772	D203-A206 HydrophobicContact CB-CB 4.32Å; D203-A206 PolarHBondContact O-N 3.05Å; D203-A206 VanDerWaalsContact O-N 3.14Å; L204-A206 VanDerWaalsContact C-N 3.28Å; A206-N210 VanDerWaalsContact CA-ND2 3.3Å; A206-N210 WeakPolarHBondContact CA-ND2 3.25Å; A206-N210 PolarHBondContact O-OD1 3.36Å; A206-R764 HydrophobicContact CB-CB 3.46Å; A206-R764 VanDerWaalsContact CB-CB 3.46Å; A206-G769 CarbonylContact C-O 3.6Å; A206-G769 VanDerWaalsContact CA-O 3.32Å; A206-G769 WeakPolarHBondContact CA-O 3.42Å; A206-I772 HydrophobicContact CB-CG1 4.06Å; A206-I772 VanDerWaalsContact O-CD1 3.29Å; A206-I772 WeakPolarHBondContact O-CD1 3.34Å; A206-I772 VanDerWaalsContact O-CG1 3.28Å; A206-I772 WeakPolarHBondContact O-CG1 3.36Å
207	G	87.1	Confident	86.4	Confident	8 Å²	8	37.9 Å²	37.9	8%	0.082	21%	0.207	C	C	.	.	S	Bend	trans	109.6	-159.6	-174.4	0	0	0	0	0	116.5	N210 G769 S770	G207-N210 VanDerWaalsContact C-CG 3.44Å; G207-N210 WeakPolarHBondContact CA-OD1 3.46Å; G207-N210 VanDerWaalsContact N-CG 3.31Å; G207-N210 PolarHBondContact N-ND2 2.76Å; G207-N210 PolarHBondContact N-OD1 2.9Å; G207-N210 PolarHBondContact O-ND2 3.41Å; G207-N210 PolarHBondContact O-OD1 2.96Å; G207-G769 PolarHBondContact N-O 3.45Å; G207-S770 CarbonylContact C-O 3.45Å
208	P	78.3	Confident	85.8	Confident	126 Å²	126	41.6 Å²	41.6	82%	0.818	22%	0.222	S	C	*	.	S	Bend	trans	-86.7	-23.9	176.5	29.2	-31.5	0	0	0	115
209	N	71	Confident	84.9	Confident	121 Å²	121	43.3 Å²	43.3	65%	0.647	23%	0.23	S	C	*	.	S	Bend	trans	-114.7	45.1	-174.1	-75.5	-24.2	0	0	0	112.6	N211	N209-N211 PolarHBondContact O-N 3.44Å
210	N	72.8	Confident	84.2	Confident	29 Å²	29	43.7 Å²	43.7	16%	0.155	23%	0.232	C	C	.	.			trans	-83.6	-14.4	-160.5	-56	-1.1	0	0	0	114.6	L173 L204 G205 A206 G207 Y212 G769	L173-N210 WeakPolarHBondContact CD1-O 3.23Å; L204-N210 WeakPolarHBondContact O-CA 3.5Å; G205-N210 WeakPolarHBondContact O-CB 3.31Å; G205-N210 PolarHBondContact O-ND2 2.67Å; A206-N210 VanDerWaalsContact CA-ND2 3.3Å; A206-N210 WeakPolarHBondContact CA-ND2 3.25Å; A206-N210 PolarHBondContact O-OD1 3.36Å; G207-N210 VanDerWaalsContact C-CG 3.44Å; G207-N210 WeakPolarHBondContact CA-OD1 3.46Å; G207-N210 VanDerWaalsContact N-CG 3.31Å; G207-N210 PolarHBondContact N-ND2 2.76Å; G207-N210 PolarHBondContact N-OD1 2.9Å; G207-N210 PolarHBondContact O-ND2 3.41Å; G207-N210 PolarHBondContact O-OD1 2.96Å; N210-Y212 VanDerWaalsContact O-CD1 3.27Å; N210-Y212 WeakPolarHBondContact O-CD1 3.41Å; N210-Y212 PolarHBondContact O-N 2.82Å; N210-G769 PolarHBondContact ND2-O 2.97Å
211	N	84.5	Confident	83.8	Confident	59 Å²	59	41.6 Å²	41.6	32%	0.316	22%	0.223	S	C	.	.			trans	-82.8	71.6	-168.7	-162	-9.1	0	0	0	111.7	L173 N209 T213 A214 W216	L173-N211 HydrophobicContact CD1-CB 4.37Å; N209-N211 PolarHBondContact O-N 3.44Å; N211-T213 PolarHBondContact O-N 2.96Å; N211-T213 PolarHBondContact OD1-N 2.97Å; N211-T213 PolarHBondContact OD1-OG1 3.19Å; N211-A214 HydrophobicContact CB-CB 4.09Å; N211-A214 WeakPolarHBondContact O-CB 3.29Å; N211-A214 PolarHBondContact O-N 3.03Å; N211-A214 PolarHBondContact OD1-N 3.21Å; N211-A214 VanDerWaalsContact OD1-N 3.1Å; N211-W216 HydrophobicContact CB-CH2 4.44Å; N211-W216 HydrophobicContact CB-CZ2 4.12Å
212	Y	87.3	Confident	83.3	Confident	3 Å²	3	42 Å²	42	1%	0.012	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16	175.9	57.4	-106.2	0	0	0	113	F151 M152 L173 F174 A175 L204 N210 N220 I223	F151-Y212 HydrophobicContact CB-CE2 4.42Å; F151-Y212 HydrophobicContact CD1-CD2 4.17Å; F151-Y212 HydrophobicContact CD1-CE2 4.3Å; F151-Y212 HydrophobicContact CD1-CG 4.37Å; M152-Y212 VanDerWaalsContact O-CE2 3.29Å; M152-Y212 WeakPolarHBondContact O-CE2 3.35Å; M152-Y212 PolarHBondContact O-OH 2.91Å; L173-Y212 HydrophobicContact CB-CE1 3.89Å; L173-Y212 HydrophobicContact CD1-CE1 4.33Å; L173-Y212 HydrophobicContact CD2-CE1 4.19Å; L173-Y212 HydrophobicContact CD2-CE2 4.06Å; L173-Y212 HydrophobicContact CG-CE1 4.37Å; F174-Y212 PolarHBondContact N-OH 3.15Å; F174-Y212 VanDerWaalsContact N-OH 3.13Å; F174-Y212 PolarHBondContact O-OH 3.4Å; F174-Y212 VanDerWaalsContact O-OH 3.07Å; A175-Y212 HydrophobicContact CB-CD1 3.96Å; A175-Y212 HydrophobicContact CB-CE1 3.33Å; A175-Y212 HydrophobicContact CB-CE2 4.4Å; L204-Y212 HydrophobicContact CB-CD1 4.2Å; N210-Y212 VanDerWaalsContact O-CD1 3.27Å; N210-Y212 WeakPolarHBondContact O-CD1 3.41Å; N210-Y212 PolarHBondContact O-N 2.82Å; Y212-N220 PolarHBondContact O-ND2 2.82Å; Y212-I223 HydrophobicContact CD2-CD1 3.46Å; Y212-I223 VanDerWaalsContact CD2-CD1 3.46Å; Y212-I223 HydrophobicContact CE2-CD1 4.05Å
213	T	85.9	Confident	83	Confident	16 Å²	16	41.5 Å²	41.5	10%	0.098	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-13.6	176.2	67.1	0	0	0	0	113.6	T154 L173 N211 I223 R224	T154-T213 HydrophobicContact CG2-CG2 4.36Å; L173-T213 HydrophobicContact CD2-CG2 3.86Å; N211-T213 PolarHBondContact O-N 2.96Å; N211-T213 PolarHBondContact OD1-N 2.97Å; N211-T213 PolarHBondContact OD1-OG1 3.19Å; T213-I223 HydrophobicContact CG2-CD1 4.24Å; T213-R224 PolarHBondContact O-NH2 2.78Å
214	A	83.9	Confident	82.4	Confident	17 Å²	17	46.1 Å²	46.1	14%	0.14	24%	0.239	C	C	.	.	S	Bend	trans	-68.5	143.2	179.9	0	0	0	0	0	111.6	N211 W216 Y217	N211-A214 HydrophobicContact CB-CB 4.09Å; N211-A214 WeakPolarHBondContact O-CB 3.29Å; N211-A214 PolarHBondContact O-N 3.03Å; N211-A214 PolarHBondContact OD1-N 3.21Å; N211-A214 VanDerWaalsContact OD1-N 3.1Å; A214-W216 HydrophobicContact CB-CD2 3.99Å; A214-W216 VanDerWaalsContact CB-CE2 3.46Å; A214-W216 HydrophobicContact CB-CG 4.17Å; A214-W216 HydrophobicContact CB-CZ2 3.87Å; A214-W216 PolarHBondContact O-N 3.47Å; A214-Y217 WeakPolarHBondContact O-CB 3.46Å; A214-Y217 PolarHBondContact O-N 3.11Å
215	S	79.7	Confident	82.2	Confident	97 Å²	97	44.8 Å²	44.8	68%	0.678	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.1	-179.7	52.2	0	0	0	0	114.1	Y217	S215-Y217 VanDerWaalsContact C-N 3.31Å
216	W	79.3	Confident	81.9	Confident	164 Å²	164	55.7 Å²	55.7	62%	0.621	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.8	178.6	54	-106.1	0	0	0	113	N211 A214 K218	N211-W216 HydrophobicContact CB-CH2 4.44Å; N211-W216 HydrophobicContact CB-CZ2 4.12Å; A214-W216 HydrophobicContact CB-CD2 3.99Å; A214-W216 VanDerWaalsContact CB-CE2 3.46Å; A214-W216 HydrophobicContact CB-CG 4.17Å; A214-W216 HydrophobicContact CB-CZ2 3.87Å; A214-W216 PolarHBondContact O-N 3.47Å; W216-K218 PolarHBondContact O-N 3.34Å
217	Y	81.2	Confident	81.7	Confident	52 Å²	52	60.9 Å²	60.9	20%	0.204	30%	0.296	C	S	.	.			trans	-77.9	101.8	-179.9	-166.5	-90.2	0	0	0	110.5	A214 S215 N219 N220	A214-Y217 WeakPolarHBondContact O-CB 3.46Å; A214-Y217 PolarHBondContact O-N 3.11Å; S215-Y217 VanDerWaalsContact C-N 3.31Å; Y217-N219 VanDerWaalsContact C-N 3.31Å; Y217-N219 HydrophobicContact CD1-CB 4.35Å; Y217-N219 HydrophobicContact CE1-CB 3.74Å; Y217-N219 PolarHBondContact O-N 2.76Å; Y217-N220 HydrophobicContact CD1-CB 3.68Å; Y217-N220 HydrophobicContact CE1-CB 4.11Å
218	K	75.3	Confident	81.8	Confident	88 Å²	88	62.2 Å²	62.2	38%	0.383	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-34.7	-173.5	-64.2	-177.6	-177.7	179.2	0	114	E58 M60 R66 W216 N220	E58-K218 PolarHBondContact O-NZ 3.24Å; M60-K218 PolarHBondContact O-NZ 3.4Å; R66-K218 PolarHBondContact NH2-O 3.08Å; W216-K218 PolarHBondContact O-N 3.34Å; K218-N220 VanDerWaalsContact C-N 3.27Å; K218-N220 PolarHBondContact O-N 2.84Å; K218-N220 VanDerWaalsContact O-N 3.16Å
219	N	74.2	Confident	82.2	Confident	36 Å²	36	57.4 Å²	57.4	19%	0.193	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	26.9	-166.9	-64.9	-11.3	0	0	0	114.4	Y217 C292	Y217-N219 VanDerWaalsContact C-N 3.31Å; Y217-N219 HydrophobicContact CD1-CB 4.35Å; Y217-N219 HydrophobicContact CE1-CB 3.74Å; Y217-N219 PolarHBondContact O-N 2.76Å; N219-C292 PolarHBondContact ND2-O 3.43Å
220	N	80.7	Confident	83	Confident	9 Å²	9	51.8 Å²	51.8	5%	0.048	24%	0.244	C	C	.	.			trans	-137.4	70.4	-176.2	-163	-16.8	0	0	0	115.4	Y212 Y217 K218 Y222 I223	Y212-N220 PolarHBondContact O-ND2 2.82Å; Y217-N220 HydrophobicContact CD1-CB 3.68Å; Y217-N220 HydrophobicContact CE1-CB 4.11Å; K218-N220 VanDerWaalsContact C-N 3.27Å; K218-N220 PolarHBondContact O-N 2.84Å; K218-N220 VanDerWaalsContact O-N 3.16Å; N220-Y222 VanDerWaalsContact C-N 3.28Å; N220-Y222 HydrophobicContact CB-CE2 4.48Å; N220-Y222 VanDerWaalsContact CG-CZ 3.45Å; N220-Y222 WeakPolarHBondContact ND2-CE2 3.33Å; N220-Y222 PolarHBondContact O-N 3.24Å; N220-Y222 WeakPolarHBondContact OD1-CD2 3.49Å; N220-Y222 WeakPolarHBondContact OD1-CE2 3.25Å; N220-Y222 VanDerWaalsContact OD1-CG 3.28Å; N220-Y222 PolarHBondContact OD1-N 2.61Å; N220-I223 WeakPolarHBondContact ND2-CD1 3.29Å; N220-I223 VanDerWaalsContact ND2-CG1 3.26Å; N220-I223 WeakPolarHBondContact ND2-CG1 3.31Å; N220-I223 WeakPolarHBondContact OD1-CB 3.49Å; N220-I223 VanDerWaalsContact OD1-CG1 3.26Å; N220-I223 WeakPolarHBondContact OD1-CG1 3.38Å; N220-I223 PolarHBondContact OD1-N 3.49Å
221	P	84.4	Confident	83.7	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.006	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-20.8	172.7	29.1	-32.1	0	0	0	113	I223 R224 D225 T286 Y289	P221-I223 VanDerWaalsContact C-N 3.27Å; P221-I223 PolarHBondContact O-N 3.38Å; P221-R224 CarbonylContact O-C 3.55Å; P221-R224 PolarHBondContact O-N 3.12Å; P221-D225 WeakPolarHBondContact O-CB 3.49Å; P221-D225 PolarHBondContact O-N 2.78Å; P221-T286 HydrophobicContact CB-CG2 4.21Å; P221-T286 HydrophobicContact CG-CG2 4.28Å; P221-Y289 HydrophobicContact CB-CD1 4.4Å; P221-Y289 HydrophobicContact CG-CD1 3.32Å; P221-Y289 HydrophobicContact CG-CD2 3.74Å; P221-Y289 HydrophobicContact CG-CE1 3.38Å; P221-Y289 HydrophobicContact CG-CE2 3.8Å; P221-Y289 HydrophobicContact CG-CG 3.5Å; P221-Y289 VanDerWaalsContact CG-CG 3.5Å
222	Y	84.8	Confident	83.9	Confident	8 Å²	8	51.7 Å²	51.7	3%	0.031	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-11.8	-178.9	46.5	-92.9	0	0	0	113.7	F151 N220 I230 Y289 V303 V329	F151-Y222 AromaticContact CD1-CE2 3.73Å; F151-Y222 HydrophobicContact CD1-CE2 3.73Å; F151-Y222 HydrophobicContact CD2-CD2 4.25Å; F151-Y222 AromaticContact CD2-CE2 3.92Å; F151-Y222 HydrophobicContact CD2-CE2 3.92Å; F151-Y222 AromaticContact CE1-CE2 3.39Å; F151-Y222 HydrophobicContact CE1-CE2 3.39Å; F151-Y222 AromaticContact CE1-CZ 3.79Å; F151-Y222 WeakPolarHBondContact CE1-OH 3.06Å; F151-Y222 HydrophobicContact CE2-CD2 4.17Å; F151-Y222 AromaticContact CE2-CE2 3.61Å; F151-Y222 HydrophobicContact CE2-CE2 3.61Å; F151-Y222 HydrophobicContact CG-CD2 4.46Å; F151-Y222 AromaticContact CG-CE2 3.97Å; F151-Y222 HydrophobicContact CG-CE2 3.97Å; F151-Y222 HydrophobicContact CZ-CD2 4.31Å; F151-Y222 AromaticContact CZ-CE2 3.32Å; F151-Y222 HydrophobicContact CZ-CE2 3.32Å; F151-Y222 AromaticContact CZ-CZ 3.59Å; F151-Y222 WeakPolarHBondContact CZ-OH 3.47Å; N220-Y222 VanDerWaalsContact C-N 3.28Å; N220-Y222 HydrophobicContact CB-CE2 4.48Å; N220-Y222 VanDerWaalsContact CG-CZ 3.45Å; N220-Y222 WeakPolarHBondContact ND2-CE2 3.33Å; N220-Y222 PolarHBondContact O-N 3.24Å; N220-Y222 WeakPolarHBondContact OD1-CD2 3.49Å; N220-Y222 WeakPolarHBondContact OD1-CE2 3.25Å; N220-Y222 VanDerWaalsContact OD1-CG 3.28Å; N220-Y222 PolarHBondContact OD1-N 2.61Å; Y222-I230 VanDerWaalsContact O-CG2 3.3Å; Y222-I230 WeakPolarHBondContact O-CG2 3.39Å; Y222-Y289 WeakPolarHBondContact CD1-OH 3.45Å; Y222-V303 VanDerWaalsContact CB-CG2 3.43Å; Y222-V303 WeakPolarHBondContact O-CG1 3.29Å; Y222-V329 HydrophobicContact CD1-CG1 4.29Å; Y222-V329 HydrophobicContact CD2-CG1 4.43Å; Y222-V329 HydrophobicContact CD2-CG2 3.51Å; Y222-V329 HydrophobicContact CE2-CG2 4.27Å; Y222-V329 HydrophobicContact CG-CG1 4.03Å; Y222-V329 HydrophobicContact CG-CG2 3.8Å
223	I	86.7	Confident	84	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.021	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-43.7	166.9	-67.4	-171.5	0	0	0	111.1	Y212 T213 N220 P221 I233	Y212-I223 HydrophobicContact CD2-CD1 3.46Å; Y212-I223 VanDerWaalsContact CD2-CD1 3.46Å; Y212-I223 HydrophobicContact CE2-CD1 4.05Å; T213-I223 HydrophobicContact CG2-CD1 4.24Å; N220-I223 WeakPolarHBondContact ND2-CD1 3.29Å; N220-I223 VanDerWaalsContact ND2-CG1 3.26Å; N220-I223 WeakPolarHBondContact ND2-CG1 3.31Å; N220-I223 WeakPolarHBondContact OD1-CB 3.49Å; N220-I223 VanDerWaalsContact OD1-CG1 3.26Å; N220-I223 WeakPolarHBondContact OD1-CG1 3.38Å; N220-I223 PolarHBondContact OD1-N 3.49Å; P221-I223 VanDerWaalsContact C-N 3.27Å; P221-I223 PolarHBondContact O-N 3.38Å; I223-I233 HydrophobicContact CD1-CD1 3.99Å; I223-I233 HydrophobicContact CG1-CD1 4.09Å; I223-I233 HydrophobicContact CG2-CD1 4.18Å; I223-I233 HydrophobicContact CG2-CG1 4Å
224	R	82.2	Confident	83.9	Confident	97 Å²	97	52.7 Å²	52.7	37%	0.366	25%	0.25	S	S	.	.			trans	-137.4	103.1	-178.2	-58.6	-173.4	-179.3	163.7	5.9	111	T213 P221	T213-R224 PolarHBondContact O-NH2 2.78Å; P221-R224 CarbonylContact O-C 3.55Å; P221-R224 PolarHBondContact O-N 3.12Å
225	D	87	Confident	84	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-134.5	93.8	165	-167.1	-1.5	0	0	0	108.9	P221 E227 M228 G229 I230 R287	P221-D225 WeakPolarHBondContact O-CB 3.49Å; P221-D225 PolarHBondContact O-N 2.78Å; D225-E227 VanDerWaalsContact C-N 3.26Å; D225-E227 PolarHBondContact O-N 2.98Å; D225-M228 HydrophobicContact CB-CB 4.37Å; D225-M228 CarbonylContact O-C 3.5Å; D225-M228 PolarHBondContact O-N 2.68Å; D225-M228 WeakPolarHBondContact OD2-CG 3.33Å; D225-G229 PolarHBondContact O-N 2.82Å; D225-I230 HydrophobicContact CB-CB 4.23Å; D225-I230 HydrophobicContact CB-CD1 4.13Å; D225-I230 HydrophobicContact CB-CG1 4.4Å; D225-I230 PolarHBondContact N-O 2.84Å; D225-I230 PolarHBondContact O-N 3.34Å; D225-R287 IonicContact OD1-CZ 3.36Å; D225-R287 IonicContact OD1-NE 3.88Å; D225-R287 PolarHBondContact OD1-NE 3.03Å; D225-R287 VanDerWaalsContact OD1-NE 3.16Å; D225-R287 IonicContact OD1-NH2 3.77Å; D225-R287 PolarHBondContact OD1-NH2 2.87Å; D225-R287 WeakPolarHBondContact OD2-CG 3.25Å; D225-R287 PolarHBondContact OD2-N 3.12Å; D225-R287 IonicContact OD2-NE 3.81Å; D225-R287 PolarHBondContact OD2-NE 2.74Å
226	R	83.8	Confident	84	Confident	229 Å²	229	56.7 Å²	56.7	86%	0.864	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-33.2	-174.9	-66.9	-177.1	-178	172.5	2.4	112.5	M228 G229	R226-M228 VanDerWaalsContact C-N 3.32Å; R226-M228 PolarHBondContact O-N 3.15Å; R226-G229 WeakPolarHBondContact O-CA 3.41Å; R226-G229 PolarHBondContact O-N 2.7Å
227	E	86.3	Confident	83.8	Confident	114 Å²	114	54 Å²	54	53%	0.533	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-35.6	179.3	-72.6	176.7	-138.9	0	0	111.9	P69 D225 G229 R287	P69-E227 WeakPolarHBondContact CD-OE2 3.26Å; D225-E227 VanDerWaalsContact C-N 3.26Å; D225-E227 PolarHBondContact O-N 2.98Å; E227-G229 VanDerWaalsContact C-N 3.3Å; E227-R287 IonicContact OE1-CZ 3.87Å; E227-R287 VanDerWaalsContact OE1-CZ 3.24Å; E227-R287 IonicContact OE1-NH1 3.24Å; E227-R287 PolarHBondContact OE1-NH1 3.45Å; E227-R287 IonicContact OE1-NH2 2.75Å; E227-R287 PolarHBondContact OE1-NH2 3.42Å; E227-R287 WeakPolarHBondContact OE2-CD 3.33Å; E227-R287 IonicContact OE2-CZ 2.74Å; E227-R287 IonicContact OE2-NE 3.48Å; E227-R287 IonicContact OE2-NH1 2.86Å; E227-R287 PolarHBondContact OE2-NH1 3.26Å; E227-R287 IonicContact OE2-NH2 2.86Å
228	M	88.9	Confident	83.2	Confident	36 Å²	36	53.4 Å²	53.4	18%	0.177	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	2	172.9	-56.9	-58.8	-71.6	0	0	112.5	P69 I75 D225 R226 I230 R284 F285 R287	P69-M228 HydrophobicContact CB-SD 3.9Å; I75-M228 HydrophobicContact CD1-CE 3.83Å; D225-M228 HydrophobicContact CB-CB 4.37Å; D225-M228 CarbonylContact O-C 3.5Å; D225-M228 PolarHBondContact O-N 2.68Å; D225-M228 WeakPolarHBondContact OD2-CG 3.33Å; R226-M228 VanDerWaalsContact C-N 3.32Å; R226-M228 PolarHBondContact O-N 3.15Å; M228-I230 VanDerWaalsContact C-N 3.27Å; M228-I230 HydrophobicContact CB-CD1 4.39Å; M228-I230 HydrophobicContact CB-CG1 4.24Å; M228-I230 PolarHBondContact O-N 2.85Å; M228-R284 PolarHBondContact O-NH1 2.75Å; M228-F285 VanDerWaalsContact CB-O 3.23Å; M228-F285 WeakPolarHBondContact CB-O 3.25Å; M228-F285 WeakPolarHBondContact CE-O 3.43Å; M228-F285 WeakPolarHBondContact CG-O 3.13Å; M228-R287 HydrophobicContact CG-CG 3.63Å; M228-R287 HydrophobicContact SD-CG 3.89Å
229	G	86.2	Confident	82.6	Confident	25 Å²	25	53.7 Å²	53.7	26%	0.258	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	30.1	-175.5	0	0	0	0	0	115.2	D225 R226 E227 D231 R284	D225-G229 PolarHBondContact O-N 2.82Å; R226-G229 WeakPolarHBondContact O-CA 3.41Å; R226-G229 PolarHBondContact O-N 2.7Å; E227-G229 VanDerWaalsContact C-N 3.3Å; G229-D231 PolarHBondContact O-N 3.04Å; G229-D231 VanDerWaalsContact O-N 3.13Å; G229-R284 WeakPolarHBondContact O-CD 3.35Å; G229-R284 PolarHBondContact O-NE 3.35Å; G229-R284 PolarHBondContact O-NH1 3.05Å
230	I	89	Confident	81.8	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-72.6	103.2	170.8	-59.6	176.2	0	0	0	108	Y222 D225 M228 F232 R284 T286 V303	Y222-I230 VanDerWaalsContact O-CG2 3.3Å; Y222-I230 WeakPolarHBondContact O-CG2 3.39Å; D225-I230 HydrophobicContact CB-CB 4.23Å; D225-I230 HydrophobicContact CB-CD1 4.13Å; D225-I230 HydrophobicContact CB-CG1 4.4Å; D225-I230 PolarHBondContact N-O 2.84Å; D225-I230 PolarHBondContact O-N 3.34Å; M228-I230 VanDerWaalsContact C-N 3.27Å; M228-I230 HydrophobicContact CB-CD1 4.39Å; M228-I230 HydrophobicContact CB-CG1 4.24Å; M228-I230 PolarHBondContact O-N 2.85Å; I230-F232 HydrophobicContact CG2-CD2 4.29Å; I230-R284 HydrophobicContact CD1-CB 4.32Å; I230-R284 HydrophobicContact CG1-CB 3.69Å; I230-T286 HydrophobicContact CD1-CG2 3.61Å; I230-V303 HydrophobicContact CD1-CG2 4.07Å; I230-V303 HydrophobicContact CG2-CG1 4.39Å
231	D	87	Confident	80.6	Confident	80 Å²	80	59.6 Å²	59.6	43%	0.428	30%	0.3	S	S	.	.			trans	-149	65.5	176.5	-168.4	23.1	0	0	0	109.2	G229	G229-D231 PolarHBondContact O-N 3.04Å; G229-D231 VanDerWaalsContact O-N 3.13Å
232	F	88.7	Confident	79.5	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.026	32%	0.319	C	S	.	.			trans	-90.6	-39.4	178.3	-64.8	-59.7	0	0	0	112.1	I230 R284 V303 A305 M324 V327	I230-F232 HydrophobicContact CG2-CD2 4.29Å; F232-R284 HydrophobicContact CE2-CB 4.43Å; F232-R284 HydrophobicContact CE2-CG 4.44Å; F232-R284 HydrophobicContact CZ-CG 4.12Å; F232-V303 HydrophobicContact CD2-CG1 3.89Å; F232-V303 HydrophobicContact CE2-CB 4.37Å; F232-V303 HydrophobicContact CE2-CG1 3.98Å; F232-A305 HydrophobicContact CB-CB 3.99Å; F232-A305 HydrophobicContact CD1-CB 3.61Å; F232-A305 HydrophobicContact CD2-CB 4.38Å; F232-A305 HydrophobicContact CE1-CB 4.1Å; F232-A305 HydrophobicContact CG-CB 3.76Å; F232-M324 HydrophobicContact CB-SD 4.45Å; F232-M324 HydrophobicContact CD1-SD 4Å; F232-V327 HydrophobicContact CB-CG1 3.66Å; F232-V327 HydrophobicContact CD2-CG1 4Å; F232-V327 HydrophobicContact CG-CG1 4.24Å
233	I	88.6	Confident	79.1	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.01	32%	0.32	C	S	.	.	S	Bend	trans	-127.3	136.4	-179	56.1	167.6	0	0	0	111.2	D153 I223 V327	D153-I233 HydrophobicContact CB-CB 4.18Å; D153-I233 HydrophobicContact CB-CD1 4.49Å; D153-I233 HydrophobicContact CB-CG2 4.1Å; I223-I233 HydrophobicContact CD1-CD1 3.99Å; I223-I233 HydrophobicContact CG1-CD1 4.09Å; I223-I233 HydrophobicContact CG2-CD1 4.18Å; I223-I233 HydrophobicContact CG2-CG1 4Å; I233-V327 HydrophobicContact CD1-CG1 4.4Å; I233-V327 HydrophobicContact CD1-CG2 4.23Å; I233-V327 HydrophobicContact CG1-CG1 4.17Å; I233-V327 HydrophobicContact CG2-CG1 4.4Å
234	P	85	Confident	79.1	Confident	38 Å²	38	63.7 Å²	63.7	25%	0.247	33%	0.326	C	S	.	.	S	Bend	cis	-71.4	143.7	-4.8	31.7	-35.2	0	0	0	111.2	D153 R236	D153-P234 WeakPolarHBondContact OD2-CA 3.06Å; P234-R236 PolarHBondContact O-N 2.74Å
235	D	84.8	Confident	79.4	Confident	14 Å²	14	63 Å²	63	8%	0.075	33%	0.327	C	S	.	.			trans	-68.2	95.8	179.1	-171.3	4.1	0	0	0	111.5	R237 K243 R323 M324	D235-R237 VanDerWaalsContact C-N 3.28Å; D235-R237 WeakPolarHBondContact OD1-CB 3.47Å; D235-R237 PolarHBondContact OD1-N 3Å; D235-R237 VanDerWaalsContact OD1-N 3.14Å; D235-R237 IonicContact OD1-NE 2.71Å; D235-K243 WeakPolarHBondContact OD2-CE 3.09Å; D235-K243 IonicContact OD2-NZ 2.77Å; D235-R323 HydrophobicContact CB-CG 3.67Å; D235-M324 HydrophobicContact CB-CB 4.06Å; D235-M324 PolarHBondContact OD2-N 3.42Å
236	R	80.6	Confident	79.7	Confident	184 Å²	184	63.1 Å²	63.1	69%	0.694	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.2	177.5	-64.1	177.5	-177.4	-171.1	-2.7	113.4	P234 G238	P234-R236 PolarHBondContact O-N 2.74Å; R236-G238 PolarHBondContact O-N 2.85Å
237	R	74.6	Confident	80.2	Confident	109 Å²	109	54.6 Å²	54.6	41%	0.411	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	0.8	-176.3	-66.5	176.6	-83.6	-166.4	-11.1	112.6	D235 A240 M324	D235-R237 VanDerWaalsContact C-N 3.28Å; D235-R237 WeakPolarHBondContact OD1-CB 3.47Å; D235-R237 PolarHBondContact OD1-N 3Å; D235-R237 VanDerWaalsContact OD1-N 3.14Å; D235-R237 IonicContact OD1-NE 2.71Å; R237-A240 WeakPolarHBondContact O-CB 3.44Å; R237-M324 PolarHBondContact NH2-SD 3.49Å; R237-M324 VanDerWaalsContact NH2-SD 3.41Å
238	G	68.3	Low	80.5	Confident	39 Å²	39	49.2 Å²	49.2	40%	0.402	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	-157.6	179.5	0	0	0	0	0	112	R236 A240 K243	R236-G238 PolarHBondContact O-N 2.85Å; G238-A240 PolarHBondContact O-N 2.04Å; G238-K243 PolarHBondContact O-NZ 2.64Å
239	T	63.3	Low	80.8	Confident	94 Å²	94	51.9 Å²	51.9	58%	0.577	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	13.6	-179.6	54	0	0	0	0	113.8
240	A	57.7	Low	81.2	Confident	32 Å²	32	50.7 Å²	50.7	26%	0.264	28%	0.275	S	S	.	.			trans	-48.5	155.3	-164.3	0	0	0	0	0	116.4	R237 G238 S242 K243	R237-A240 WeakPolarHBondContact O-CB 3.44Å; G238-A240 PolarHBondContact O-N 2.04Å; A240-S242 PolarHBondContact O-N 3.19Å; A240-K243 VanDerWaalsContact O-CD 3.29Å; A240-K243 WeakPolarHBondContact O-CD 3.28Å
241	P	54.8	Low	81.3	Confident	137 Å²	137	54 Å²	54	89%	0.89	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	7.4	169.3	27.2	-34	0	0	0	114.8	K243	P241-K243 VanDerWaalsContact C-N 3.26Å; P241-K243 PolarHBondContact O-N 3.32Å
242	S	62.2	Low	81.6	Confident	59 Å²	59	50.6 Å²	50.6	41%	0.413	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	0.9	177.8	58.3	0	0	0	0	114.4	A240	A240-S242 PolarHBondContact O-N 3.19Å
243	K	76	Confident	81.7	Confident	9 Å²	9	50.3 Å²	50.3	4%	0.039	27%	0.27	C	S	.	.	S	Bend	trans	-90.7	138.5	170.7	-66	99.4	178.2	-169.2	0	110	D235 G238 A240 P241 Y269 P322	D235-K243 WeakPolarHBondContact OD2-CE 3.09Å; D235-K243 IonicContact OD2-NZ 2.77Å; G238-K243 PolarHBondContact O-NZ 2.64Å; A240-K243 VanDerWaalsContact O-CD 3.29Å; A240-K243 WeakPolarHBondContact O-CD 3.28Å; P241-K243 VanDerWaalsContact C-N 3.26Å; P241-K243 PolarHBondContact O-N 3.32Å; K243-Y269 HydrophobicContact CB-CD1 4.09Å; K243-P322 HydrophobicContact CD-CB 4.47Å; K243-P322 HydrophobicContact CD-CG 4.34Å; K243-P322 WeakPolarHBondContact CE-O 3.47Å; K243-P322 PolarHBondContact NZ-O 2.78Å
244	N	86.4	Confident	81.7	Confident	31 Å²	31	52.6 Å²	52.6	17%	0.166	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-81	133.6	-178	-72.1	11.9	0	0	0	111.2	Y246 Y269 G270 A273	N244-Y246 HydrophobicContact CB-CE2 3.98Å; N244-Y269 WeakPolarHBondContact O-CA 3.45Å; N244-G270 PolarHBondContact O-N 3.33Å; N244-A273 VanDerWaalsContact ND2-CA 3.32Å; N244-A273 WeakPolarHBondContact ND2-CA 3.39Å; N244-A273 WeakPolarHBondContact ND2-CB 3.32Å; N244-A273 PolarHBondContact ND2-N 2.98Å; N244-A273 PolarHBondContact ND2-O 3.26Å
245	Q	89.3	Confident	81.8	Confident	82 Å²	82	54.4 Å²	54.4	38%	0.383	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.7	175.9	-171.3	173.5	27.4	0	0	109.5	K267 F268 Y269	Q245-K267 HydrophobicContact CG-CB 4.14Å; Q245-F268 CarbonylContact C-O 3.54Å; Q245-F268 WeakPolarHBondContact CA-O 3.11Å; Q245-Y269 HydrophobicContact CB-CD1 4.35Å; Q245-Y269 HydrophobicContact CB-CE1 4.26Å
246	Y	93.1	Very high	81.8	Confident	3 Å²	3	55.9 Å²	55.9	1%	0.012	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	150.5	175.1	-64.5	-94.4	0	0	0	109.3	F105 N244 K267 F268 P271 A273 Q719	F105-Y246 HydrophobicContact CE1-CD1 4.03Å; F105-Y246 HydrophobicContact CE1-CD2 4.1Å; F105-Y246 AromaticContact CE1-CE1 3.6Å; F105-Y246 HydrophobicContact CE1-CE1 3.6Å; F105-Y246 AromaticContact CE1-CE2 3.69Å; F105-Y246 HydrophobicContact CE1-CE2 3.69Å; F105-Y246 HydrophobicContact CE1-CG 4.26Å; F105-Y246 AromaticContact CE1-CZ 3.41Å; F105-Y246 VanDerWaalsContact CE1-CZ 3.41Å; F105-Y246 AromaticContact CZ-CE1 3.8Å; F105-Y246 HydrophobicContact CZ-CE1 3.8Å; F105-Y246 HydrophobicContact CZ-CE2 4.38Å; F105-Y246 AromaticContact CZ-CZ 3.68Å; N244-Y246 HydrophobicContact CB-CE2 3.98Å; Y246-K267 WeakPolarHBondContact O-CA 3.34Å; Y246-F268 VanDerWaalsContact CB-CE1 3.42Å; Y246-F268 HydrophobicContact CD2-CE2 4.31Å; Y246-F268 HydrophobicContact CD2-CZ 4.33Å; Y246-F268 HydrophobicContact CG-CE1 4.39Å; Y246-F268 HydrophobicContact CG-CE2 4.48Å; Y246-F268 HydrophobicContact CG-CZ 4.05Å; Y246-F268 PolarHBondContact N-O 3.41Å; Y246-F268 PolarHBondContact O-N 3.25Å; Y246-P271 WeakPolarHBondContact CE2-O 3.16Å; Y246-P271 PolarHBondContact OH-O 3.22Å; Y246-A273 WeakPolarHBondContact OH-CB 3.08Å; Y246-Q719 WeakPolarHBondContact CA-O 3.35Å; Y246-Q719 HydrophobicContact CD1-CB 4.01Å; Y246-Q719 HydrophobicContact CD1-CG 4.36Å; Y246-Q719 HydrophobicContact CE1-CB 4.22Å; Y246-Q719 HydrophobicContact CE1-CG 4.07Å
247	T	92.8	Very high	82.2	Confident	50 Å²	50	47.1 Å²	47.1	31%	0.307	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.3	179.3	62.2	0	0	0	0	109.9	K267 Q719 A720 A721	T247-K267 HydrophobicContact CG2-CD 4.38Å; T247-K267 HydrophobicContact CG2-CG 4.11Å; T247-Q719 PolarHBondContact N-O 2.79Å; T247-A720 VanDerWaalsContact O-CA 3.26Å; T247-A720 WeakPolarHBondContact O-CA 3.32Å; T247-A720 VanDerWaalsContact OG1-CB 3.29Å; T247-A720 WeakPolarHBondContact OG1-CB 3.31Å; T247-A721 PolarHBondContact O-N 3.16Å; T247-A721 VanDerWaalsContact O-N 3.08Å
248	T	94.1	Very high	83	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.9	174.9	54.6	0	0	0	0	109.9	Y109 N265 T266 F268 F675 A721	Y109-T248 HydrophobicContact CE2-CG2 4.33Å; T248-N265 WeakPolarHBondContact O-CA 3.4Å; T248-T266 PolarHBondContact N-O 2.64Å; T248-T266 PolarHBondContact O-N 3.3Å; T248-T266 PolarHBondContact OG1-O 3.04Å; T248-T266 PolarHBondContact OG1-OG1 2.97Å; T248-F268 HydrophobicContact CG2-CD1 4.44Å; T248-F268 HydrophobicContact CG2-CE1 3.81Å; T248-F675 HydrophobicContact CG2-CD1 4.07Å; T248-F675 HydrophobicContact CG2-CD2 4.12Å; T248-F675 HydrophobicContact CG2-CE1 4.05Å; T248-F675 HydrophobicContact CG2-CE2 4.11Å; T248-F675 HydrophobicContact CG2-CG 4.11Å; T248-F675 HydrophobicContact CG2-CZ 4.07Å; T248-A721 VanDerWaalsContact CA-O 3.27Å; T248-A721 WeakPolarHBondContact CA-O 3.43Å
249	K	93.9	Very high	84	Confident	92 Å²	92	47.9 Å²	47.9	40%	0.4	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.9	172.2	-50.3	-172.8	-165.8	146.2	0	109	E264 N265 A721 E722 A723	K249-E264 WeakPolarHBondContact CA-O 3.5Å; K249-N265 WeakPolarHBondContact CG-OD1 3.19Å; K249-A721 PolarHBondContact N-O 3.28Å; K249-E722 HydrophobicContact CB-CG 4.21Å; K249-E722 HydrophobicContact CD-CG 4.37Å; K249-E722 HydrophobicContact CG-CG 4.38Å; K249-E722 IonicContact NZ-OE1 3.86Å; K249-E722 PolarHBondContact NZ-OE1 3.02Å; K249-E722 CarbonylContact O-C 3.55Å; K249-E722 WeakPolarHBondContact O-CA 3.49Å; K249-A723 PolarHBondContact O-N 3.45Å
250	I	94.4	Very high	85.2	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.1	177.3	-54.7	165.2	0	0	0	109.1	L252 E264 F668 F671 F675 A723	I250-L252 HydrophobicContact CG2-CD2 3.74Å; I250-L252 HydrophobicContact CG2-CG 3.98Å; I250-E264 HydrophobicContact CB-CB 4.1Å; I250-E264 PolarHBondContact N-O 3.35Å; I250-E264 PolarHBondContact O-N 3.45Å; I250-F668 HydrophobicContact CD1-CD1 4.24Å; I250-F668 HydrophobicContact CD1-CE1 4.37Å; I250-F671 HydrophobicContact CD1-CB 4.19Å; I250-F671 HydrophobicContact CD1-CG 4.19Å; I250-F671 HydrophobicContact CG1-CD1 4.46Å; I250-F671 HydrophobicContact CG2-CD1 4.05Å; I250-F671 HydrophobicContact CG2-CD2 4.23Å; I250-F671 HydrophobicContact CG2-CE1 3.75Å; I250-F671 HydrophobicContact CG2-CE2 3.95Å; I250-F671 HydrophobicContact CG2-CG 4.29Å; I250-F671 HydrophobicContact CG2-CZ 3.7Å; I250-F675 HydrophobicContact CD1-CE2 3.91Å; I250-F675 HydrophobicContact CD1-CZ 4.4Å; I250-F675 HydrophobicContact CG1-CE2 3.72Å; I250-F675 HydrophobicContact CG1-CZ 3.7Å; I250-A723 CarbonylContact C-O 3.45Å; I250-A723 VanDerWaalsContact CA-O 3.27Å; I250-A723 WeakPolarHBondContact CA-O 3.38Å
251	Q	92.8	Very high	86.2	Confident	70 Å²	70	54.1 Å²	54.1	33%	0.327	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.9	166.7	-169.8	173	4.6	0	0	109.4	L263 A723 I724 D725 L728	Q251-L263 HydrophobicContact CB-CD2 3.74Å; Q251-L263 HydrophobicContact CG-CD2 3.78Å; Q251-A723 PolarHBondContact N-O 3.07Å; Q251-I724 HydrophobicContact CB-CB 4.36Å; Q251-I724 HydrophobicContact CB-CG2 3.91Å; Q251-I724 WeakPolarHBondContact O-CA 3.11Å; Q251-D725 PolarHBondContact O-N 3.23Å; Q251-L728 HydrophobicContact CG-CD1 4.18Å
252	L	91.8	Very high	87.6	Confident	10 Å²	10	54.6 Å²	54.6	5%	0.052	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-94.9	151.8	-179.8	-65.5	173.4	0	0	0	111.2	I250 I260 E264 F671	I250-L252 HydrophobicContact CG2-CD2 3.74Å; I250-L252 HydrophobicContact CG2-CG 3.98Å; L252-I260 HydrophobicContact CB-CD1 3.83Å; L252-I260 PolarHBondContact O-N 3.39Å; L252-E264 HydrophobicContact CD1-CG 4.25Å; L252-F671 HydrophobicContact CD2-CD2 4.45Å; L252-F671 HydrophobicContact CD2-CE2 3.52Å; L252-F671 HydrophobicContact CD2-CZ 3.91Å
253	A	90.7	Very high	88.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-101.9	154	171	0	0	0	0	0	111.4	D258 W704 D725 S727 L728	A253-D258 CarbonylContact C-O 3.54Å; A253-D258 WeakPolarHBondContact CA-O 3.35Å; A253-W704 WeakPolarHBondContact O-CZ3 3.46Å; A253-D725 HydrophobicContact CB-CB 4.15Å; A253-S727 WeakPolarHBondContact CB-OG 3.22Å; A253-L728 HydrophobicContact CB-CD2 3.54Å; A253-L728 HydrophobicContact CB-CG 3.88Å
254	T	89.6	Confident	89.2	Confident	50 Å²	50	57.4 Å²	57.4	31%	0.307	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-75.4	166.1	160.8	68.4	0	0	0	0	109.9	G256 G257 D258 I260	T254-G256 PolarHBondContact O-N 3.35Å; T254-G256 VanDerWaalsContact O-N 3.14Å; T254-G257 PolarHBondContact O-N 2.98Å; T254-D258 HydrophobicContact CG2-CB 4.29Å; T254-D258 PolarHBondContact N-O 2.86Å; T254-D258 WeakPolarHBondContact OG1-CB 3.46Å; T254-D258 PolarHBondContact OG1-N 3.16Å; T254-D258 PolarHBondContact OG1-O 2.94Å; T254-I260 HydrophobicContact CG2-CD1 4.44Å; T254-I260 HydrophobicContact CG2-CG1 3.82Å
255	I	87	Confident	89.4	Confident	76 Å²	76	60.9 Å²	60.9	39%	0.39	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-33.8	176.4	-58.3	170.2	0	0	0	111.3	G257 T702	I255-G257 VanDerWaalsContact C-N 3.33Å; I255-G257 PolarHBondContact O-N 3.33Å; I255-T702 HydrophobicContact CD1-CG2 3.66Å
256	G	85.3	Confident	89.5	Confident	44 Å²	44	58 Å²	58	45%	0.454	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-8.2	177.5	0	0	0	0	0	115.3	T254	T254-G256 PolarHBondContact O-N 3.35Å; T254-G256 VanDerWaalsContact O-N 3.14Å
257	G	88.2	Confident	89.5	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.01	34%	0.336	C	S	.	.	S	Bend	trans	94.2	8.9	-178.8	0	0	0	0	0	115.2	T254 I255 L728 N729	T254-G257 PolarHBondContact O-N 2.98Å; I255-G257 VanDerWaalsContact C-N 3.33Å; I255-G257 PolarHBondContact O-N 3.33Å; G257-L728 WeakPolarHBondContact O-CA 3.42Å; G257-N729 PolarHBondContact O-N 3.46Å; G257-N729 PolarHBondContact O-ND2 2.96Å
258	D	91.3	Very high	89.5	Confident	87 Å²	87	62.7 Å²	62.7	47%	0.465	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-82.1	143.3	176.7	-57.1	-49.1	0	0	0	111.1	A253 T254 I260 N729	A253-D258 CarbonylContact C-O 3.54Å; A253-D258 WeakPolarHBondContact CA-O 3.35Å; T254-D258 HydrophobicContact CG2-CB 4.29Å; T254-D258 PolarHBondContact N-O 2.86Å; T254-D258 WeakPolarHBondContact OG1-CB 3.46Å; T254-D258 PolarHBondContact OG1-N 3.16Å; T254-D258 PolarHBondContact OG1-O 2.94Å; D258-I260 PolarHBondContact O-N 2.9Å; D258-N729 PolarHBondContact OD1-ND2 3.27Å
259	P	90	Very high	89.4	Confident	76 Å²	76	65.7 Å²	65.7	49%	0.494	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-68.7	132.1	176.3	28.6	-33.6	0	0	0	111.2	E261 L728	P259-E261 PolarHBondContact O-N 2.76Å; P259-L728 HydrophobicContact CB-CD2 3.91Å
260	I	87.8	Confident	89.2	Confident	60 Å²	60	61.3 Å²	61.3	31%	0.308	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-76.3	119.6	168.9	-64.5	170.5	0	0	0	107.8	L252 T254 D258 K262	L252-I260 HydrophobicContact CB-CD1 3.83Å; L252-I260 PolarHBondContact O-N 3.39Å; T254-I260 HydrophobicContact CG2-CD1 4.44Å; T254-I260 HydrophobicContact CG2-CG1 3.82Å; D258-I260 PolarHBondContact O-N 2.9Å; I260-K262 PolarHBondContact O-N 3.37Å; I260-K262 VanDerWaalsContact O-N 3.11Å
261	E	79.1	Confident	89	Confident	197 Å²	197	61.3 Å²	61.3	92%	0.921	32%	0.315	S	S	*	.	S	Bend	trans	-55.3	-33.1	-174.3	-67.3	-174.7	168.6	0	0	113.6	P259 L263	P259-E261 PolarHBondContact O-N 2.76Å; E261-L263 PolarHBondContact O-N 2.92Å
262	K	83	Confident	88.7	Confident	147 Å²	147	58.2 Å²	58.2	64%	0.639	30%	0.301	S	S	*	.	S	Bend	trans	-81.2	103.2	-180	-169.8	-175.9	178.2	-165	0	110.7	I260 E264	I260-K262 PolarHBondContact O-N 3.37Å; I260-K262 VanDerWaalsContact O-N 3.11Å; K262-E264 PolarHBondContact O-N 3.35Å
263	L	85.5	Confident	88.4	Confident	85 Å²	85	58.2 Å²	58.2	45%	0.445	30%	0.303	S	S	.	.			trans	-65.5	130.8	167.2	-65.4	175.7	0	0	0	110.8	Q251 E261 N265	Q251-L263 HydrophobicContact CB-CD2 3.74Å; Q251-L263 HydrophobicContact CG-CD2 3.78Å; E261-L263 PolarHBondContact O-N 2.92Å; L263-N265 PolarHBondContact O-N 3.26Å
264	E	86.6	Confident	87.9	Confident	42 Å²	42	58.8 Å²	58.8	20%	0.196	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	98.9	178.2	-76.6	-72.1	143.7	0	0	109.1	R113 K249 I250 L252 K262	R113-E264 IonicContact CZ-OE2 3.2Å; R113-E264 IonicContact NH2-OE2 2.65Å; R113-E264 PolarHBondContact NH2-OE2 3.21Å; K249-E264 WeakPolarHBondContact CA-O 3.5Å; I250-E264 HydrophobicContact CB-CB 4.1Å; I250-E264 PolarHBondContact N-O 3.35Å; I250-E264 PolarHBondContact O-N 3.45Å; L252-E264 HydrophobicContact CD1-CG 4.25Å; K262-E264 PolarHBondContact O-N 3.35Å
265	N	91.3	Very high	87.5	Confident	104 Å²	104	58.1 Å²	58.1	56%	0.556	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	117	177.8	-66.5	-24.8	0	0	0	109.7	T248 K249 L263	T248-N265 WeakPolarHBondContact O-CA 3.4Å; K249-N265 WeakPolarHBondContact CG-OD1 3.19Å; L263-N265 PolarHBondContact O-N 3.26Å
266	T	91.5	Very high	87	Confident	23 Å²	23	60 Å²	60	14%	0.141	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.6	179.2	55.8	0	0	0	0	110.5	R113 T248	R113-T266 VanDerWaalsContact NE-CG2 3.33Å; T248-T266 PolarHBondContact N-O 2.64Å; T248-T266 PolarHBondContact O-N 3.3Å; T248-T266 PolarHBondContact OG1-O 3.04Å; T248-T266 PolarHBondContact OG1-OG1 2.97Å
267	K	92.3	Very high	86.6	Confident	146 Å²	146	67.7 Å²	67.7	64%	0.635	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.1	172.2	-50.7	-172.2	178.5	179.6	0	108.4	Q245 Y246 T247	Q245-K267 HydrophobicContact CG-CB 4.14Å; Y246-K267 WeakPolarHBondContact O-CA 3.34Å; T247-K267 HydrophobicContact CG2-CD 4.38Å; T247-K267 HydrophobicContact CG2-CG 4.11Å
268	F	92.9	Very high	86.3	Confident	5 Å²	5	71.6 Å²	71.6	2%	0.022	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152.8	-179.8	74.4	-80.2	0	0	0	110.1	F105 Y109 Q112 Q245 Y246 T248 L679	F105-F268 HydrophobicContact CD1-CE2 4.32Å; F105-F268 HydrophobicContact CD1-CZ 4.34Å; Y109-F268 AromaticContact CD2-CD1 3.75Å; Y109-F268 HydrophobicContact CD2-CD1 3.75Å; Y109-F268 AromaticContact CD2-CE1 3.84Å; Y109-F268 HydrophobicContact CD2-CE1 3.84Å; Y109-F268 HydrophobicContact CD2-CG 4.19Å; Y109-F268 HydrophobicContact CD2-CZ 4.36Å; Q112-F268 HydrophobicContact CB-CB 4.24Å; Q245-F268 CarbonylContact C-O 3.54Å; Q245-F268 WeakPolarHBondContact CA-O 3.11Å; Y246-F268 VanDerWaalsContact CB-CE1 3.42Å; Y246-F268 HydrophobicContact CD2-CE2 4.31Å; Y246-F268 HydrophobicContact CD2-CZ 4.33Å; Y246-F268 HydrophobicContact CG-CE1 4.39Å; Y246-F268 HydrophobicContact CG-CE2 4.48Å; Y246-F268 HydrophobicContact CG-CZ 4.05Å; Y246-F268 PolarHBondContact N-O 3.41Å; Y246-F268 PolarHBondContact O-N 3.25Å; T248-F268 HydrophobicContact CG2-CD1 4.44Å; T248-F268 HydrophobicContact CG2-CE1 3.81Å; F268-L679 HydrophobicContact CZ-CD1 4.23Å
269	Y	92.2	Very high	85.6	Confident	63 Å²	63	73.5 Å²	73.5	25%	0.247	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131	171.2	-62.5	-81.4	0	0	0	108.7	Q112 K243 N244 Q245 T307 F309 P322	Q112-Y269 PolarHBondContact NE2-O 3.43Å; K243-Y269 HydrophobicContact CB-CD1 4.09Å; N244-Y269 WeakPolarHBondContact O-CA 3.45Å; Q245-Y269 HydrophobicContact CB-CD1 4.35Å; Q245-Y269 HydrophobicContact CB-CE1 4.26Å; Y269-T307 VanDerWaalsContact C-OG1 3.24Å; Y269-T307 PolarHBondContact O-OG1 3.23Å; Y269-F309 AromaticContact CD2-CE1 3.9Å; Y269-F309 HydrophobicContact CD2-CE1 3.9Å; Y269-F309 HydrophobicContact CD2-CZ 4.22Å; Y269-F309 AromaticContact CE2-CE1 3.87Å; Y269-F309 HydrophobicContact CE2-CE1 3.87Å; Y269-F309 HydrophobicContact CE2-CZ 4.26Å; Y269-P322 HydrophobicContact CD1-CB 4.28Å; Y269-P322 HydrophobicContact CD1-CG 4.24Å; Y269-P322 HydrophobicContact CD2-CB 3.61Å; Y269-P322 HydrophobicContact CD2-CG 3.99Å; Y269-P322 HydrophobicContact CE1-CG 4.22Å; Y269-P322 HydrophobicContact CE2-CB 4.08Å; Y269-P322 HydrophobicContact CE2-CG 3.96Å; Y269-P322 HydrophobicContact CG-CB 3.71Å; Y269-P322 HydrophobicContact CG-CG 4.12Å
270	G	90.7	Very high	85.3	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	37%	0.368	C	S	.	.			trans	-122.4	-171.2	178.7	0	0	0	0	0	112.4	N244 T307	N244-G270 PolarHBondContact O-N 3.33Å; G270-T307 WeakPolarHBondContact CA-OG1 3.42Å
271	P	90.5	Very high	85.4	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.006	36%	0.359	C	S	.	.	S	Bend	trans	-52	150.6	167.7	-22.8	32.5	0	0	0	112	L101 A104 F105 Y246 A273 P282	L101-P271 HydrophobicContact CD1-CB 3.82Å; L101-P271 HydrophobicContact CD1-CG 3.99Å; A104-P271 HydrophobicContact CB-CG 3.68Å; F105-P271 HydrophobicContact CD1-CG 4.26Å; F105-P271 HydrophobicContact CE1-CG 4.31Å; F105-P271 HydrophobicContact CG-CG 4.42Å; Y246-P271 WeakPolarHBondContact CE2-O 3.16Å; Y246-P271 PolarHBondContact OH-O 3.22Å; P271-A273 PolarHBondContact O-N 2.95Å; P271-P282 HydrophobicContact CB-CB 4.21Å
272	N	86.6	Confident	86	Confident	5 Å²	5	62 Å²	62	3%	0.027	32%	0.316	C	S	.	.			trans	-61.6	128.1	179.5	-60	-11	0	0	0	110.9	P274 F280 P282 M324	N272-P274 WeakPolarHBondContact O-CD 3.36Å; N272-F280 HydrophobicContact CB-CD2 3.89Å; N272-F280 HydrophobicContact CB-CE2 4.1Å; N272-P282 WeakPolarHBondContact O-CB 3.38Å; N272-P282 WeakPolarHBondContact O-CD 3.25Å; N272-P282 WeakPolarHBondContact O-CG 3.28Å; N272-M324 WeakPolarHBondContact OD1-CE 3.17Å
273	A	83.8	Confident	86.5	Confident	11 Å²	11	55 Å²	55	9%	0.091	29%	0.286	C	S	.	.			trans	-107.5	91.3	170.7	0	0	0	0	0	109.5	Y78 N244 Y246 P271	Y78-A273 HydrophobicContact CE1-CB 4.2Å; N244-A273 VanDerWaalsContact ND2-CA 3.32Å; N244-A273 WeakPolarHBondContact ND2-CA 3.39Å; N244-A273 WeakPolarHBondContact ND2-CB 3.32Å; N244-A273 PolarHBondContact ND2-N 2.98Å; N244-A273 PolarHBondContact ND2-O 3.26Å; Y246-A273 WeakPolarHBondContact OH-CB 3.08Å; P271-A273 PolarHBondContact O-N 2.95Å
274	P	81.9	Confident	86.8	Confident	11 Å²	11	53.7 Å²	53.7	7%	0.071	28%	0.275	C	S	.	.			trans	-72.5	151.4	-177.9	30	-37.5	0	0	0	112.7	Y78 N272 E278 F280 L281	Y78-P274 HydrophobicContact CD1-CG 3.86Å; N272-P274 WeakPolarHBondContact O-CD 3.36Å; P274-E278 WeakPolarHBondContact CA-OE2 3.38Å; P274-E278 HydrophobicContact CB-CB 3.77Å; P274-E278 WeakPolarHBondContact CB-OE2 3.31Å; P274-F280 HydrophobicContact CB-CD2 4.06Å; P274-F280 HydrophobicContact CB-CE2 3.83Å; P274-F280 HydrophobicContact CB-CZ 4.38Å; P274-F280 WeakPolarHBondContact CB-O 3.35Å; P274-F280 WeakPolarHBondContact CG-O 3.34Å; P274-L281 HydrophobicContact CG-CD2 4.48Å
275	G	79.4	Confident	87.2	Confident	36 Å²	36	52 Å²	52	37%	0.371	27%	0.267	S	S	.	.			trans	-74.8	175.2	164	0	0	0	0	0	112.8	K277 E278	G275-K277 VanDerWaalsContact C-N 3.28Å; G275-K277 PolarHBondContact O-N 2.74Å; G275-E278 PolarHBondContact N-OE2 3.19Å; G275-E278 PolarHBondContact O-N 3.36Å
276	V	77.7	Confident	87.3	Confident	115 Å²	115	47 Å²	47	70%	0.697	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-37.9	-175.6	-178.7	0	0	0	0	113	N79	N79-V276 PolarHBondContact ND2-O 2.84Å
277	K	77.3	Confident	87.4	Confident	207 Å²	207	47.4 Å²	47.4	90%	0.9	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-3	-175.2	-64.8	-176.6	178.6	179.7	0	114.7	G275	G275-K277 VanDerWaalsContact C-N 3.28Å; G275-K277 PolarHBondContact O-N 2.74Å
278	E	80.2	Confident	87.5	Confident	82 Å²	82	40.4 Å²	40.4	38%	0.383	21%	0.209	S	C	.	.			trans	-87.5	143.2	-174	-69.7	178.3	159.6	0	0	111.7	P274 G275 F280	P274-E278 WeakPolarHBondContact CA-OE2 3.38Å; P274-E278 HydrophobicContact CB-CB 3.77Å; P274-E278 WeakPolarHBondContact CB-OE2 3.31Å; G275-E278 PolarHBondContact N-OE2 3.19Å; G275-E278 PolarHBondContact O-N 3.36Å; E278-F280 HydrophobicContact CB-CD1 4.16Å; E278-F280 HydrophobicContact CB-CE1 3.76Å; E278-F280 HydrophobicContact CB-CZ 4.06Å; E278-F280 HydrophobicContact CG-CE1 3.88Å; E278-F280 HydrophobicContact CG-CZ 4.1Å; E278-F280 WeakPolarHBondContact OE2-CZ 3.37Å
279	T	78.3	Confident	87.6	Confident	128 Å²	128	40.5 Å²	40.5	79%	0.785	21%	0.209	S	C	*	.			trans	-93.8	-14.2	-174	57.3	0	0	0	0	113.7
280	F	82.9	Confident	87.7	Confident	63 Å²	63	38 Å²	38	28%	0.276	20%	0.199	S	C	.	.			trans	-84.2	124.7	177.3	56.8	-92.5	0	0	0	109.7	N272 P274 E278	N272-F280 HydrophobicContact CB-CD2 3.89Å; N272-F280 HydrophobicContact CB-CE2 4.1Å; P274-F280 HydrophobicContact CB-CD2 4.06Å; P274-F280 HydrophobicContact CB-CE2 3.83Å; P274-F280 HydrophobicContact CB-CZ 4.38Å; P274-F280 WeakPolarHBondContact CB-O 3.35Å; P274-F280 WeakPolarHBondContact CG-O 3.34Å; E278-F280 HydrophobicContact CB-CD1 4.16Å; E278-F280 HydrophobicContact CB-CE1 3.76Å; E278-F280 HydrophobicContact CB-CZ 4.06Å; E278-F280 HydrophobicContact CG-CE1 3.88Å; E278-F280 HydrophobicContact CG-CZ 4.1Å; E278-F280 WeakPolarHBondContact OE2-CZ 3.37Å
281	L	89.7	Confident	87.7	Confident	25 Å²	25	38.2 Å²	38.2	13%	0.131	20%	0.2	C	C	.	.			trans	-104.6	144.7	178.8	-60.1	175.4	0	0	0	111	Q77 P274 V283 R284	Q77-L281 HydrophobicContact CB-CD1 4.09Å; Q77-L281 HydrophobicContact CB-CD2 4.15Å; Q77-L281 HydrophobicContact CG-CD1 3.99Å; P274-L281 HydrophobicContact CG-CD2 4.48Å; L281-V283 VanDerWaalsContact C-N 3.29Å; L281-V283 WeakPolarHBondContact CB-O 3.13Å; L281-R284 HydrophobicContact CB-CG 4.43Å
282	P	91.3	Very high	87.6	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.019	20%	0.202	C	C	.	.	S	Bend	trans	-64.9	-38	173.1	13.4	-18.4	0	0	0	111.8	Y78 L101 P271 N272	Y78-P282 HydrophobicContact CD1-CG 4.2Å; Y78-P282 HydrophobicContact CD2-CG 3.66Å; Y78-P282 HydrophobicContact CE2-CG 4.41Å; Y78-P282 HydrophobicContact CG-CG 3.54Å; L101-P282 HydrophobicContact CD1-CB 3.98Å; P271-P282 HydrophobicContact CB-CB 4.21Å; N272-P282 WeakPolarHBondContact O-CB 3.38Å; N272-P282 WeakPolarHBondContact O-CD 3.25Å; N272-P282 WeakPolarHBondContact O-CG 3.28Å
283	V	93.9	Very high	87.4	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.7	-178	-174.2	0	0	0	0	108.4	H97 L101 L281 F285 V303 A304	H97-V283 HydrophobicContact CB-CG1 4.44Å; H97-V283 VanDerWaalsContact CD2-CB 3.4Å; H97-V283 WeakPolarHBondContact CD2-CB 3.46Å; L101-V283 HydrophobicContact CB-CG2 3.85Å; L101-V283 HydrophobicContact CD1-CG2 4.25Å; L101-V283 HydrophobicContact CG-CG2 4.46Å; L281-V283 VanDerWaalsContact C-N 3.29Å; L281-V283 WeakPolarHBondContact CB-O 3.13Å; V283-F285 HydrophobicContact CG1-CE2 4.42Å; V283-V303 CarbonylContact C-O 3.6Å; V283-V303 VanDerWaalsContact CA-O 3.26Å; V283-V303 WeakPolarHBondContact CA-O 3.46Å; V283-A304 HydrophobicContact CG2-CB 4.14Å
284	R	93.1	Very high	87.5	Confident	57 Å²	57	41.7 Å²	41.7	22%	0.215	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.2	174.5	-69.6	179.9	179.5	-112.1	8.5	109.6	M228 G229 I230 F232 L281 S302 V303	M228-R284 PolarHBondContact O-NH1 2.75Å; G229-R284 WeakPolarHBondContact O-CD 3.35Å; G229-R284 PolarHBondContact O-NE 3.35Å; G229-R284 PolarHBondContact O-NH1 3.05Å; I230-R284 HydrophobicContact CD1-CB 4.32Å; I230-R284 HydrophobicContact CG1-CB 3.69Å; F232-R284 HydrophobicContact CE2-CB 4.43Å; F232-R284 HydrophobicContact CE2-CG 4.44Å; F232-R284 HydrophobicContact CZ-CG 4.12Å; L281-R284 HydrophobicContact CB-CG 4.43Å; R284-S302 CarbonylContact O-C 3.49Å; R284-S302 WeakPolarHBondContact O-CA 3.44Å; R284-V303 PolarHBondContact N-O 3.44Å; R284-V303 PolarHBondContact O-N 2.81Å
285	F	94.4	Very high	87.8	Confident	5 Å²	5	42.3 Å²	42.3	2%	0.022	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141	175	-74.5	-102.9	0	0	0	109.7	I75 P76 L93 L96 H97 M228 V283 V300 S301	I75-F285 HydrophobicContact CG2-CB 4.02Å; I75-F285 HydrophobicContact CG2-CD2 3.23Å; I75-F285 HydrophobicContact CG2-CE2 3.77Å; I75-F285 HydrophobicContact CG2-CG 3.68Å; P76-F285 HydrophobicContact CG-CE2 3.67Å; P76-F285 HydrophobicContact CG-CZ 3.65Å; L93-F285 HydrophobicContact CD2-CE1 3.95Å; L93-F285 WeakPolarHBondContact O-CZ 3.45Å; L96-F285 HydrophobicContact CB-CE1 4.49Å; L96-F285 HydrophobicContact CD2-CD1 4.5Å; L96-F285 HydrophobicContact CD2-CE1 3.88Å; H97-F285 HydrophobicContact CB-CE2 4.1Å; H97-F285 HydrophobicContact CB-CZ 3.92Å; M228-F285 VanDerWaalsContact CB-O 3.23Å; M228-F285 WeakPolarHBondContact CB-O 3.25Å; M228-F285 WeakPolarHBondContact CE-O 3.43Å; M228-F285 WeakPolarHBondContact CG-O 3.13Å; V283-F285 HydrophobicContact CG1-CE2 4.42Å; F285-V300 HydrophobicContact CD1-CG1 3.89Å; F285-S301 CarbonylContact C-O 3.56Å; F285-S301 WeakPolarHBondContact CA-O 3.17Å
286	T	93.9	Very high	88.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-73.1	158.6	169.7	64	0	0	0	0	109.7	P221 I230 Y289 S301 V303	P221-T286 HydrophobicContact CB-CG2 4.21Å; P221-T286 HydrophobicContact CG-CG2 4.28Å; I230-T286 HydrophobicContact CD1-CG2 3.61Å; T286-Y289 HydrophobicContact CG2-CE1 4.41Å; T286-Y289 WeakPolarHBondContact OG1-CE1 3.18Å; T286-S301 PolarHBondContact N-O 3.47Å; T286-S301 PolarHBondContact OG1-N 2.95Å; T286-S301 VanDerWaalsContact OG1-N 3.08Å; T286-S301 PolarHBondContact OG1-O 3.25Å; T286-V303 HydrophobicContact CG2-CG2 4.16Å
287	R	93.5	Very high	89	Confident	31 Å²	31	42.7 Å²	42.7	12%	0.117	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-58.1	150.6	158.1	-64.4	-176.7	-75.3	173.6	-12.3	109.5	P69 D225 E227 M228 Y289	P69-R287 HydrophobicContact CB-CG 4.1Å; D225-R287 IonicContact OD1-CZ 3.36Å; D225-R287 IonicContact OD1-NE 3.88Å; D225-R287 PolarHBondContact OD1-NE 3.03Å; D225-R287 VanDerWaalsContact OD1-NE 3.16Å; D225-R287 IonicContact OD1-NH2 3.77Å; D225-R287 PolarHBondContact OD1-NH2 2.87Å; D225-R287 WeakPolarHBondContact OD2-CG 3.25Å; D225-R287 PolarHBondContact OD2-N 3.12Å; D225-R287 IonicContact OD2-NE 3.81Å; D225-R287 PolarHBondContact OD2-NE 2.74Å; E227-R287 IonicContact OE1-CZ 3.87Å; E227-R287 VanDerWaalsContact OE1-CZ 3.24Å; E227-R287 IonicContact OE1-NH1 3.24Å; E227-R287 PolarHBondContact OE1-NH1 3.45Å; E227-R287 IonicContact OE1-NH2 2.75Å; E227-R287 PolarHBondContact OE1-NH2 3.42Å; E227-R287 WeakPolarHBondContact OE2-CD 3.33Å; E227-R287 IonicContact OE2-CZ 2.74Å; E227-R287 IonicContact OE2-NE 3.48Å; E227-R287 IonicContact OE2-NH1 2.86Å; E227-R287 PolarHBondContact OE2-NH1 3.26Å; E227-R287 IonicContact OE2-NH2 2.86Å; M228-R287 HydrophobicContact CG-CG 3.63Å; M228-R287 HydrophobicContact SD-CG 3.89Å; R287-Y289 WeakPolarHBondContact O-CD1 3.26Å; R287-Y289 PolarHBondContact O-N 3.35Å
288	P	94	Very high	89.8	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-59.6	130.7	170.9	-18.2	29.2	0	0	0	109.7	L67 S71 I299 V300 F334	L67-P288 HydrophobicContact CB-CB 4.05Å; L67-P288 HydrophobicContact CB-CG 4.17Å; L67-P288 HydrophobicContact CD1-CB 3.79Å; L67-P288 HydrophobicContact CD1-CG 4.2Å; L67-P288 HydrophobicContact CG-CB 4.01Å; L67-P288 PolarHBondContact N-O 2.89Å; S71-P288 WeakPolarHBondContact OG-CD 3.08Å; S71-P288 WeakPolarHBondContact OG-CG 3.06Å; P288-I299 WeakPolarHBondContact CA-O 3.39Å; P288-V300 HydrophobicContact CB-CG2 3.85Å; P288-V300 HydrophobicContact CG-CG2 3.78Å; P288-F334 HydrophobicContact CB-CD2 3.77Å; P288-F334 HydrophobicContact CB-CE2 4.06Å; P288-F334 HydrophobicContact CB-CG 4.04Å; P288-F334 HydrophobicContact CG-CD2 3.69Å; P288-F334 HydrophobicContact CG-CE2 3.57Å; P288-F334 HydrophobicContact CG-CG 4.43Å; P288-F334 HydrophobicContact CG-CZ 4.24Å
289	Y	93.9	Very high	90.4	Very high	7 Å²	7	29.1 Å²	29.1	3%	0.027	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	156.3	-177.8	68.5	-83.3	0	0	0	110.8	L65 P221 Y222 T286 R287 D291 W298 I299 S301	L65-Y289 CarbonylContact O-C 3.58Å; L65-Y289 VanDerWaalsContact O-CA 3.26Å; L65-Y289 WeakPolarHBondContact O-CA 3.26Å; P221-Y289 HydrophobicContact CB-CD1 4.4Å; P221-Y289 HydrophobicContact CG-CD1 3.32Å; P221-Y289 HydrophobicContact CG-CD2 3.74Å; P221-Y289 HydrophobicContact CG-CE1 3.38Å; P221-Y289 HydrophobicContact CG-CE2 3.8Å; P221-Y289 HydrophobicContact CG-CG 3.5Å; P221-Y289 VanDerWaalsContact CG-CG 3.5Å; Y222-Y289 WeakPolarHBondContact CD1-OH 3.45Å; T286-Y289 HydrophobicContact CG2-CE1 4.41Å; T286-Y289 WeakPolarHBondContact OG1-CE1 3.18Å; R287-Y289 WeakPolarHBondContact O-CD1 3.26Å; R287-Y289 PolarHBondContact O-N 3.35Å; Y289-D291 HydrophobicContact CE2-CB 4.3Å; Y289-W298 WeakPolarHBondContact O-CA 3.4Å; Y289-I299 HydrophobicContact CD1-CG1 4.27Å; Y289-I299 HydrophobicContact CD2-CG1 4.23Å; Y289-I299 HydrophobicContact CE1-CD1 4.14Å; Y289-I299 HydrophobicContact CE1-CG1 3.85Å; Y289-I299 HydrophobicContact CE2-CD1 3.72Å; Y289-I299 HydrophobicContact CE2-CG1 3.8Å; Y289-I299 HydrophobicContact CG-CG1 4.46Å; Y289-I299 VanDerWaalsContact CZ-CD1 3.45Å; Y289-I299 PolarHBondContact N-O 3.28Å; Y289-I299 PolarHBondContact O-N 3.4Å; Y289-I299 VanDerWaalsContact OH-CD1 3.28Å; Y289-I299 WeakPolarHBondContact OH-CD1 3.42Å; Y289-S301 WeakPolarHBondContact CE1-OG 3.44Å; Y289-S301 PolarHBondContact OH-OG 2.83Å
290	Y	94	Very high	91.2	Very high	10 Å²	10	23 Å²	23	4%	0.039	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	119.6	174.8	-172.1	-95.1	0	0	0	110.4	A52 N53 P54 C57 L65 C292 N296 W298	A52-Y290 HydrophobicContact CB-CD1 4.46Å; A52-Y290 HydrophobicContact CB-CD2 3.94Å; A52-Y290 HydrophobicContact CB-CE2 4.23Å; A52-Y290 HydrophobicContact CB-CG 4.05Å; N53-Y290 VanDerWaalsContact C-OH 3.31Å; P54-Y290 WeakPolarHBondContact CD-OH 3.33Å; C57-Y290 HydrophobicContact CB-CD1 3.84Å; C57-Y290 HydrophobicContact CB-CE1 3.58Å; L65-Y290 HydrophobicContact CD2-CD1 4.11Å; L65-Y290 HydrophobicContact CD2-CG 4.35Å; L65-Y290 PolarHBondContact O-N 3.05Å; Y290-C292 VanDerWaalsContact C-N 3.33Å; Y290-C292 HydrophobicContact CD1-CB 4.05Å; Y290-C292 HydrophobicContact CE1-CB 4.24Å; Y290-C292 PolarHBondContact O-N 3.47Å; Y290-N296 WeakPolarHBondContact OH-CB 3.31Å; Y290-N296 PolarHBondContact OH-O 3.24Å; Y290-W298 AromaticContact CD2-CD1 3.82Å; Y290-W298 HydrophobicContact CD2-CD2 4.21Å; Y290-W298 AromaticContact CD2-CE2 3.91Å; Y290-W298 HydrophobicContact CD2-CG 4.15Å; Y290-W298 AromaticContact CD2-NE1 3.64Å
291	D	91.3	Very high	91.8	Very high	4 Å²	4	20 Å²	20	2%	0.021	11%	0.112	C	C	.	.			trans	-81.4	76.7	179.2	-177.3	38.2	0	0	0	111.2	R179 Y289 G294 T295 N296 R297 I299	R179-D291 IonicContact NE-OD2 3.9Å; Y289-D291 HydrophobicContact CE2-CB 4.3Å; D291-G294 PolarHBondContact O-N 2.95Å; D291-T295 WeakPolarHBondContact CB-OG1 3.34Å; D291-T295 PolarHBondContact OD2-N 3.49Å; D291-T295 PolarHBondContact OD2-OG1 2.97Å; D291-N296 WeakPolarHBondContact O-CA 3.34Å; D291-N296 PolarHBondContact O-N 3.18Å; D291-R297 PolarHBondContact N-O 2.7Å; D291-I299 HydrophobicContact CB-CD1 3.63Å; D291-I299 HydrophobicContact CB-CG1 4.04Å
292	C	88.9	Confident	92	Very high	7 Å²	7	18.8 Å²	18.8	5%	0.047	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	130.7	-178	-177.8	0	0	0	0	111.9	C57 N219 Y290 G294	C57-C292 VanDerWaalsContact C-SG 3.5Å; C57-C292 HydrophobicContact CB-CB 3.64Å; C57-C292 WeakPolarHBondContact CB-SG 3.32Å; C57-C292 WeakPolarHBondContact SG-CB 3.4Å; C57-C292 CovalentContact SG-SG 2.04Å; C57-C292 PolarHBondContact SG-SG 3.07Å; N219-C292 PolarHBondContact ND2-O 3.43Å; Y290-C292 VanDerWaalsContact C-N 3.33Å; Y290-C292 HydrophobicContact CD1-CB 4.05Å; Y290-C292 HydrophobicContact CE1-CB 4.24Å; Y290-C292 PolarHBondContact O-N 3.47Å; C292-G294 PolarHBondContact O-N 3.04Å; C292-G294 VanDerWaalsContact O-N 3.07Å
293	G	83.3	Confident	92.2	Very high	63 Å²	63	18.7 Å²	18.7	65%	0.649	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	-4.6	178.3	0	0	0	0	0	115	N296	G293-N296 PolarHBondContact N-OD1 2.76Å
294	G	84.7	Confident	92.3	Very high	20 Å²	20	18.6 Å²	18.6	21%	0.206	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-105.5	170.3	0	0	0	0	0	110.4	D291 C292 N296	D291-G294 PolarHBondContact O-N 2.95Å; C292-G294 PolarHBondContact O-N 3.04Å; C292-G294 VanDerWaalsContact O-N 3.07Å; G294-N296 VanDerWaalsContact C-N 3.35Å
295	T	87.7	Confident	92.3	Very high	25 Å²	25	16 Å²	16	15%	0.153	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-14.4	177.7	57.7	0	0	0	0	113.9	I147 R179 D291 R297	I147-T295 HydrophobicContact CD1-CG2 3.67Å; I147-T295 HydrophobicContact CG1-CG2 3.9Å; R179-T295 HydrophobicContact CB-CG2 4.33Å; R179-T295 HydrophobicContact CG-CG2 4.31Å; D291-T295 WeakPolarHBondContact CB-OG1 3.34Å; D291-T295 PolarHBondContact OD2-N 3.49Å; D291-T295 PolarHBondContact OD2-OG1 2.97Å; T295-R297 VanDerWaalsContact C-N 3.25Å; T295-R297 PolarHBondContact O-N 2.83Å
296	N	90.6	Very high	92.2	Very high	56 Å²	56	15.8 Å²	15.8	30%	0.299	10%	0.095	S	C	.	.			trans	53.7	40.8	-176	-68.4	-41.5	0	0	0	113.1	P54 Y290 D291 G293 G294	P54-N296 HydrophobicContact CB-CB 4.46Å; P54-N296 HydrophobicContact CG-CB 3.95Å; Y290-N296 WeakPolarHBondContact OH-CB 3.31Å; Y290-N296 PolarHBondContact OH-O 3.24Å; D291-N296 WeakPolarHBondContact O-CA 3.34Å; D291-N296 PolarHBondContact O-N 3.18Å; G293-N296 PolarHBondContact N-OD1 2.76Å; G294-N296 VanDerWaalsContact C-N 3.35Å
297	R	91.7	Very high	92.1	Very high	103 Å²	103	15.8 Å²	15.8	39%	0.389	10%	0.095	S	C	.	.	S	Bend	trans	-135.7	158.3	-179.7	-68.8	179.1	-170.3	-173.9	4.8	110.6	D291 T295 I299	D291-R297 PolarHBondContact N-O 2.7Å; T295-R297 VanDerWaalsContact C-N 3.25Å; T295-R297 PolarHBondContact O-N 2.83Å; R297-I299 HydrophobicContact CB-CG2 4.35Å; R297-I299 PolarHBondContact O-N 3.09Å
298	W	94.3	Very high	92	Very high	3 Å²	3	14.3 Å²	14.3	1%	0.011	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	120.4	167.9	-72.1	95	0	0	0	109.4	M49 A52 L65 L67 Y289 Y290 F334 Y335	M49-W298 VanDerWaalsContact CA-NE1 3.34Å; M49-W298 HydrophobicContact CB-CZ2 4.28Å; M49-W298 HydrophobicContact CE-CB 3.87Å; M49-W298 HydrophobicContact CE-CD2 4.28Å; M49-W298 HydrophobicContact CE-CG 3.66Å; M49-W298 HydrophobicContact CG-CD2 3.93Å; M49-W298 HydrophobicContact CG-CG 4.2Å; M49-W298 HydrophobicContact CG-CZ2 4Å; M49-W298 PolarHBondContact O-NE1 3.18Å; M49-W298 VanDerWaalsContact O-NE1 3.1Å; A52-W298 HydrophobicContact CB-CZ2 3.77Å; L65-W298 WeakPolarHBondContact O-CZ3 3.29Å; L67-W298 HydrophobicContact CD1-CE3 4.38Å; L67-W298 HydrophobicContact CD1-CZ3 4.49Å; L67-W298 HydrophobicContact CD2-CE3 4.32Å; L67-W298 HydrophobicContact CD2-CH2 3.87Å; L67-W298 HydrophobicContact CD2-CZ3 3.71Å; L67-W298 HydrophobicContact CG-CE3 3.99Å; L67-W298 HydrophobicContact CG-CH2 4.33Å; L67-W298 HydrophobicContact CG-CZ3 3.65Å; Y289-W298 WeakPolarHBondContact O-CA 3.4Å; Y290-W298 AromaticContact CD2-CD1 3.82Å; Y290-W298 HydrophobicContact CD2-CD2 4.21Å; Y290-W298 AromaticContact CD2-CE2 3.91Å; Y290-W298 HydrophobicContact CD2-CG 4.15Å; Y290-W298 AromaticContact CD2-NE1 3.64Å; W298-F334 HydrophobicContact CB-CB 4.07Å; W298-F334 WeakPolarHBondContact O-CB 2.89Å; W298-F334 PolarHBondContact O-N 3.44Å; W298-Y335 HydrophobicContact CB-CE2 4.42Å
299	I	94	Very high	91.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.2	-175.8	62.2	170.7	0	0	0	111.8	I147 P288 Y289 D291 R297 M332	I147-I299 HydrophobicContact CD1-CD1 3.53Å; P288-I299 WeakPolarHBondContact CA-O 3.39Å; Y289-I299 HydrophobicContact CD1-CG1 4.27Å; Y289-I299 HydrophobicContact CD2-CG1 4.23Å; Y289-I299 HydrophobicContact CE1-CD1 4.14Å; Y289-I299 HydrophobicContact CE1-CG1 3.85Å; Y289-I299 HydrophobicContact CE2-CD1 3.72Å; Y289-I299 HydrophobicContact CE2-CG1 3.8Å; Y289-I299 HydrophobicContact CG-CG1 4.46Å; Y289-I299 VanDerWaalsContact CZ-CD1 3.45Å; Y289-I299 PolarHBondContact N-O 3.28Å; Y289-I299 PolarHBondContact O-N 3.4Å; Y289-I299 VanDerWaalsContact OH-CD1 3.28Å; Y289-I299 WeakPolarHBondContact OH-CD1 3.42Å; D291-I299 HydrophobicContact CB-CD1 3.63Å; D291-I299 HydrophobicContact CB-CG1 4.04Å; R297-I299 HydrophobicContact CB-CG2 4.35Å; R297-I299 PolarHBondContact O-N 3.09Å; I299-M332 CarbonylContact C-O 3.55Å; I299-M332 VanDerWaalsContact CA-O 3.22Å; I299-M332 WeakPolarHBondContact CA-O 3.39Å; I299-M332 WeakPolarHBondContact CB-O 3.45Å
300	V	93.9	Very high	91.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.1	170	172.7	0	0	0	0	107.8	L72 F285 P288 S331 M332 F334 I337	L72-V300 HydrophobicContact CD2-CG1 3.78Å; L72-V300 HydrophobicContact CD2-CG2 4.47Å; F285-V300 HydrophobicContact CD1-CG1 3.89Å; P288-V300 HydrophobicContact CB-CG2 3.85Å; P288-V300 HydrophobicContact CG-CG2 3.78Å; V300-S331 VanDerWaalsContact O-CA 3.25Å; V300-S331 WeakPolarHBondContact O-CA 3.35Å; V300-M332 PolarHBondContact N-O 3.13Å; V300-M332 PolarHBondContact O-N 3.44Å; V300-F334 HydrophobicContact CG2-CB 4.3Å; V300-F334 HydrophobicContact CG2-CD2 3.69Å; V300-F334 HydrophobicContact CG2-CG 4.43Å; V300-I337 HydrophobicContact CB-CD1 4.02Å; V300-I337 HydrophobicContact CG2-CD1 3.81Å
301	S	94.9	Very high	91.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.5	-176.5	-62.5	0	0	0	0	110.8	F285 T286 Y289 Q330 S331	F285-S301 CarbonylContact C-O 3.56Å; F285-S301 WeakPolarHBondContact CA-O 3.17Å; T286-S301 PolarHBondContact N-O 3.47Å; T286-S301 PolarHBondContact OG1-N 2.95Å; T286-S301 VanDerWaalsContact OG1-N 3.08Å; T286-S301 PolarHBondContact OG1-O 3.25Å; Y289-S301 WeakPolarHBondContact CE1-OG 3.44Å; Y289-S301 PolarHBondContact OH-OG 2.83Å; S301-Q330 CarbonylContact C-O 3.55Å; S301-Q330 VanDerWaalsContact CA-O 3.31Å; S301-Q330 WeakPolarHBondContact CA-O 3.29Å; S301-S331 WeakPolarHBondContact OG-CB 3.23Å; S301-S331 PolarHBondContact OG-OG 2.86Å
302	S	95.3	Very high	91	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	137.7	164.3	67.7	0	0	0	0	110	L96 A100 R284 V329 Q330	L96-S302 WeakPolarHBondContact CG-OG 3.24Å; L96-S302 PolarHBondContact O-OG 3.45Å; L96-S302 VanDerWaalsContact O-OG 3.11Å; A100-S302 WeakPolarHBondContact CB-OG 3.37Å; R284-S302 CarbonylContact O-C 3.49Å; R284-S302 WeakPolarHBondContact O-CA 3.44Å; S302-V329 WeakPolarHBondContact O-CA 3.31Å; S302-Q330 PolarHBondContact N-O 3.4Å; S302-Q330 PolarHBondContact O-N 2.85Å; S302-Q330 PolarHBondContact OG-O 2.86Å
303	V	95.6	Very high	90.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.6	-172.6	-173.4	0	0	0	0	109.4	Y222 I230 F232 V283 R284 T286 V327 V328	Y222-V303 VanDerWaalsContact CB-CG2 3.43Å; Y222-V303 WeakPolarHBondContact O-CG1 3.29Å; I230-V303 HydrophobicContact CD1-CG2 4.07Å; I230-V303 HydrophobicContact CG2-CG1 4.39Å; F232-V303 HydrophobicContact CD2-CG1 3.89Å; F232-V303 HydrophobicContact CE2-CB 4.37Å; F232-V303 HydrophobicContact CE2-CG1 3.98Å; V283-V303 CarbonylContact C-O 3.6Å; V283-V303 VanDerWaalsContact CA-O 3.26Å; V283-V303 WeakPolarHBondContact CA-O 3.46Å; R284-V303 PolarHBondContact N-O 3.44Å; R284-V303 PolarHBondContact O-N 2.81Å; T286-V303 HydrophobicContact CG2-CG2 4.16Å; V303-V327 HydrophobicContact CG1-CB 3.76Å; V303-V327 HydrophobicContact CG1-CG1 4Å; V303-V327 HydrophobicContact CG1-CG2 4.23Å; V303-V328 WeakPolarHBondContact CA-O 3.49Å
304	A	94.8	Very high	90.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.1	175.2	0	0	0	0	0	110.5	A100 A104 V283 V327 V328	A100-A304 HydrophobicContact CB-CB 4.04Å; A100-A304 WeakPolarHBondContact O-CB 3.42Å; A104-A304 HydrophobicContact CB-CB 3.69Å; V283-A304 HydrophobicContact CG2-CB 4.14Å; A304-V327 CarbonylContact O-C 3.6Å; A304-V327 VanDerWaalsContact O-CA 3.27Å; A304-V327 WeakPolarHBondContact O-CA 2.88Å; A304-V328 PolarHBondContact N-O 2.84Å; A304-V328 PolarHBondContact O-N 3.46Å
305	A	93.2	Very high	90.7	Very high	3 Å²	3	24 Å²	24	3%	0.025	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	138.6	178.7	0	0	0	0	0	111.9	A104 F232 M324	A104-A305 WeakPolarHBondContact CB-O 3.39Å; F232-A305 HydrophobicContact CB-CB 3.99Å; F232-A305 HydrophobicContact CD1-CB 3.61Å; F232-A305 HydrophobicContact CD2-CB 4.38Å; F232-A305 HydrophobicContact CE1-CB 4.1Å; F232-A305 HydrophobicContact CG-CB 3.76Å; A305-M324 HydrophobicContact CB-CB 4.45Å; A305-M324 HydrophobicContact CB-CE 4.38Å; A305-M324 HydrophobicContact CB-CG 4.1Å; A305-M324 HydrophobicContact CB-SD 3.86Å
306	L	92.5	Very high	90.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	141.3	170.6	74	97.1	0	0	0	110.5	S108 L111 V150 M152 I325 G326 V328	S108-L306 WeakPolarHBondContact OG-CA 3.3Å; L111-L306 HydrophobicContact CD1-CD1 4.34Å; V150-L306 HydrophobicContact CG1-CD2 3.67Å; M152-L306 HydrophobicContact CE-CD1 4.19Å; M152-L306 HydrophobicContact CE-CD2 4.17Å; M152-L306 HydrophobicContact SD-CD1 4.05Å; M152-L306 HydrophobicContact SD-CD2 4.05Å; L306-I325 HydrophobicContact CD1-CD1 3.55Å; L306-I325 HydrophobicContact CD1-CG1 3.4Å; L306-I325 VanDerWaalsContact CD1-CG1 3.4Å; L306-I325 HydrophobicContact CG-CG1 4.4Å; L306-I325 PolarHBondContact O-N 3.34Å; L306-I325 VanDerWaalsContact O-N 3.08Å; L306-G326 PolarHBondContact N-O 2.05Å; L306-V328 HydrophobicContact CD2-CG2 3.94Å
307	T	91.8	Very high	89.8	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.8	-170.7	44.7	0	0	0	0	111.7	S108 Q112 Y269 G270 R323 M324	S108-T307 WeakPolarHBondContact CA-O 3.43Å; S108-T307 PolarHBondContact OG-N 2.76Å; S108-T307 PolarHBondContact OG-OG1 3.48Å; Q112-T307 PolarHBondContact NE2-O 3.43Å; Y269-T307 VanDerWaalsContact C-OG1 3.24Å; Y269-T307 PolarHBondContact O-OG1 3.23Å; G270-T307 WeakPolarHBondContact CA-OG1 3.42Å; T307-R323 WeakPolarHBondContact CA-O 3.18Å; T307-M324 HydrophobicContact CG2-CG 3.86Å
308	D	91.7	Very high	89.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	168.7	176.3	-171	20.7	0	0	0	110.3	L111 R312 R323 I325	L111-D308 HydrophobicContact CD1-CB 4.49Å; D308-R312 IonicContact OD1-NE 2.96Å; D308-R312 IonicContact OD2-CZ 3.41Å; D308-R312 IonicContact OD2-NE 2.72Å; D308-R312 PolarHBondContact OD2-NE 3.4Å; D308-R312 IonicContact OD2-NH2 3.78Å; D308-R312 PolarHBondContact OD2-NH2 3.01Å; D308-R323 PolarHBondContact N-O 2.93Å; D308-R323 PolarHBondContact O-N 3.22Å; D308-I325 HydrophobicContact CB-CD1 3.47Å; D308-I325 VanDerWaalsContact CB-CD1 3.47Å; D308-I325 HydrophobicContact CB-CG1 3.74Å; D308-I325 HydrophobicContact CB-CG2 4.03Å
309	F	89.9	Confident	88.7	Confident	31 Å²	31	41 Å²	41	14%	0.136	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	130.8	170.6	-60.8	-55.7	0	0	0	111	Q112 Y269 P311 R312 R320 G321	Q112-F309 HydrophobicContact CB-CD2 4.43Å; Q112-F309 HydrophobicContact CB-CE2 3.95Å; Q112-F309 HydrophobicContact CG-CD2 4.03Å; Q112-F309 HydrophobicContact CG-CE2 3.85Å; Q112-F309 HydrophobicContact CG-CZ 4.35Å; Y269-F309 AromaticContact CD2-CE1 3.9Å; Y269-F309 HydrophobicContact CD2-CE1 3.9Å; Y269-F309 HydrophobicContact CD2-CZ 4.22Å; Y269-F309 AromaticContact CE2-CE1 3.87Å; Y269-F309 HydrophobicContact CE2-CE1 3.87Å; Y269-F309 HydrophobicContact CE2-CZ 4.26Å; F309-P311 CarbonylContact O-C 3.57Å; F309-R312 WeakPolarHBondContact O-CA 3.38Å; F309-R312 PolarHBondContact O-N 2.76Å; F309-R320 HydrophobicContact CB-CB 4.31Å; F309-R320 HydrophobicContact CD1-CB 4.41Å; F309-R320 HydrophobicContact CG-CB 4.42Å; F309-G321 WeakPolarHBondContact CA-O 3.46Å
310	M	87.6	Confident	88.2	Confident	34 Å²	34	43 Å²	43	17%	0.167	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	114.2	177.7	-171.2	55.3	57	0	0	111.3	T156 Y158 G321 R323 I325	T156-M310 HydrophobicContact CG2-CE 4.19Å; T156-M310 WeakPolarHBondContact O-CE 3.41Å; Y158-M310 HydrophobicContact CE2-CE 4.01Å; M310-G321 PolarHBondContact N-O 3.18Å; M310-R323 HydrophobicContact CB-CB 4.13Å; M310-I325 HydrophobicContact CB-CG2 4.41Å; M310-I325 HydrophobicContact CE-CG2 3.95Å
311	P	87.4	Confident	87.8	Confident	59 Å²	59	43.3 Å²	43.3	38%	0.383	22%	0.217	S	C	.	.	S	Bend	cis	-69	144.5	-6.8	29.8	-34.9	0	0	0	112.3	Y158 F309	Y158-P311 WeakPolarHBondContact OH-CA 3.4Å; F309-P311 CarbonylContact O-C 3.57Å
312	R	86.6	Confident	87.5	Confident	6 Å²	6	44 Å²	44	2%	0.023	22%	0.221	C	C	.	.	S	Bend	trans	-71.9	-54.5	179.4	-171.3	-171.8	-62.5	175.6	5.9	111.5	Y158 D308 F309 S314 R320	Y158-R312 HydrophobicContact CD2-CB 4.01Å; Y158-R312 HydrophobicContact CE2-CB 3.42Å; Y158-R312 VanDerWaalsContact CE2-CB 3.42Å; Y158-R312 PolarHBondContact OH-N 2.92Å; D308-R312 IonicContact OD1-NE 2.96Å; D308-R312 IonicContact OD2-CZ 3.41Å; D308-R312 IonicContact OD2-NE 2.72Å; D308-R312 PolarHBondContact OD2-NE 3.4Å; D308-R312 IonicContact OD2-NH2 3.78Å; D308-R312 PolarHBondContact OD2-NH2 3.01Å; F309-R312 WeakPolarHBondContact O-CA 3.38Å; F309-R312 PolarHBondContact O-N 2.76Å; R312-S314 VanDerWaalsContact C-N 3.31Å; R312-S314 PolarHBondContact O-N 3.39Å; R312-S314 VanDerWaalsContact O-N 3.12Å; R312-R320 WeakPolarHBondContact O-CD 3.34Å; R312-R320 VanDerWaalsContact O-CZ 3.3Å; R312-R320 PolarHBondContact O-NE 2.94Å; R312-R320 VanDerWaalsContact O-NE 3.13Å
313	Y	87.1	Confident	87.2	Confident	10 Å²	10	47.4 Å²	47.4	4%	0.039	23%	0.234	C	C	.	.	S	Bend	trans	-91.6	57.3	-174.2	-55.8	-58.2	0	0	0	112.2	P117 P121 L124 Y158 I167 N168	P117-Y313 HydrophobicContact CB-CD1 3.85Å; P117-Y313 HydrophobicContact CB-CG 4.41Å; P121-Y313 HydrophobicContact CG-CE1 4.4Å; L124-Y313 WeakPolarHBondContact CD1-OH 3.12Å; Y158-Y313 AromaticContact CD1-CD2 3.83Å; Y158-Y313 HydrophobicContact CD1-CD2 3.83Å; Y158-Y313 AromaticContact CD1-CE2 3.98Å; Y158-Y313 HydrophobicContact CD1-CE2 3.98Å; Y158-Y313 HydrophobicContact CD2-CE2 4.37Å; Y158-Y313 AromaticContact CE1-CD2 3.99Å; Y158-Y313 HydrophobicContact CE1-CD2 3.99Å; Y158-Y313 HydrophobicContact CG-CD2 4.14Å; Y158-Y313 AromaticContact CG-CE2 3.87Å; Y158-Y313 HydrophobicContact CG-CE2 3.87Å; I167-Y313 HydrophobicContact CG2-CD2 3.5Å; I167-Y313 VanDerWaalsContact CG2-CD2 3.5Å; I167-Y313 HydrophobicContact CG2-CE2 3.76Å; I167-Y313 HydrophobicContact CG2-CG 3.95Å; N168-Y313 WeakPolarHBondContact OD1-CB 3.38Å; N168-Y313 PolarHBondContact OD1-O 2.66Å
314	S	84.6	Confident	87	Confident	19 Å²	19	47.5 Å²	47.5	13%	0.133	23%	0.234	C	C	.	.			trans	-95.5	134.4	170.2	176.6	0	0	0	0	110.9	R312 I316 R320	R312-S314 VanDerWaalsContact C-N 3.31Å; R312-S314 PolarHBondContact O-N 3.39Å; R312-S314 VanDerWaalsContact O-N 3.12Å; S314-I316 PolarHBondContact O-N 2.87Å; S314-I316 PolarHBondContact OG-N 2.69Å; S314-I316 PolarHBondContact OG-O 2.78Å; S314-R320 VanDerWaalsContact O-CZ 3.22Å; S314-R320 PolarHBondContact O-NE 2.93Å; S314-R320 PolarHBondContact O-NH2 3.24Å
315	N	80.1	Confident	86.9	Confident	156 Å²	156	47.6 Å²	47.6	83%	0.834	24%	0.235	S	C	*	.	S	Bend	trans	-63.6	-25.5	172.4	-69.6	-9.2	0	0	0	112
316	I	82.1	Confident	86.9	Confident	97 Å²	97	47.5 Å²	47.5	50%	0.497	23%	0.233	S	C	.	.			trans	-95.4	103.1	178.8	-55.4	171.2	0	0	0	108	S314 R318 L319	S314-I316 PolarHBondContact O-N 2.87Å; S314-I316 PolarHBondContact OG-N 2.69Å; S314-I316 PolarHBondContact OG-O 2.78Å; I316-R318 HydrophobicContact CG2-CB 4.07Å; I316-R318 PolarHBondContact O-N 3.48Å; I316-L319 HydrophobicContact CB-CB 4.43Å; I316-L319 HydrophobicContact CB-CD1 3.95Å; I316-L319 HydrophobicContact CB-CG 3.98Å; I316-L319 HydrophobicContact CD1-CD1 3.88Å; I316-L319 HydrophobicContact CG1-CD1 4.44Å; I316-L319 HydrophobicContact CG2-CD1 4.26Å; I316-L319 HydrophobicContact CG2-CG 3.86Å; I316-L319 WeakPolarHBondContact O-CB 3.42Å; I316-L319 PolarHBondContact O-N 3.23Å
317	T	77.5	Confident	87	Confident	103 Å²	103	47.5 Å²	47.5	63%	0.632	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-57.8	-31.3	179.1	53.8	0	0	0	0	112.9	L319 R320	T317-L319 PolarHBondContact O-N 3.18Å; T317-R320 WeakPolarHBondContact O-CB 3.35Å; T317-R320 PolarHBondContact O-N 3.19Å
318	R	79.2	Confident	87.2	Confident	239 Å²	239	47.5 Å²	47.5	90%	0.902	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-63.2	-23.6	175	-64.8	-176.9	179.5	168.1	-0.1	114.1	I316	I316-R318 HydrophobicContact CG2-CB 4.07Å; I316-R318 PolarHBondContact O-N 3.48Å
319	L	82.2	Confident	87.4	Confident	104 Å²	104	47.6 Å²	47.6	55%	0.545	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-85.8	-13	176	-62.8	-179.6	0	0	0	112.4	I316 T317 G321	I316-L319 HydrophobicContact CB-CB 4.43Å; I316-L319 HydrophobicContact CB-CD1 3.95Å; I316-L319 HydrophobicContact CB-CG 3.98Å; I316-L319 HydrophobicContact CD1-CD1 3.88Å; I316-L319 HydrophobicContact CG1-CD1 4.44Å; I316-L319 HydrophobicContact CG2-CD1 4.26Å; I316-L319 HydrophobicContact CG2-CG 3.86Å; I316-L319 WeakPolarHBondContact O-CB 3.42Å; I316-L319 PolarHBondContact O-N 3.23Å; T317-L319 PolarHBondContact O-N 3.18Å; L319-G321 PolarHBondContact O-N 3.27Å
320	R	84.2	Confident	87.7	Confident	42 Å²	42	46.1 Å²	46.1	16%	0.158	23%	0.228	C	C	.	.			trans	-78.7	88.6	177.1	-59.1	-175.5	-172.3	-167.7	-6.4	109	D115 F309 R312 S314 T317	D115-R320 IonicContact OD2-NH1 2.93Å; D115-R320 PolarHBondContact OD2-NH1 3.02Å; F309-R320 HydrophobicContact CB-CB 4.31Å; F309-R320 HydrophobicContact CD1-CB 4.41Å; F309-R320 HydrophobicContact CG-CB 4.42Å; R312-R320 WeakPolarHBondContact O-CD 3.34Å; R312-R320 VanDerWaalsContact O-CZ 3.3Å; R312-R320 PolarHBondContact O-NE 2.94Å; R312-R320 VanDerWaalsContact O-NE 3.13Å; S314-R320 VanDerWaalsContact O-CZ 3.22Å; S314-R320 PolarHBondContact O-NE 2.93Å; S314-R320 PolarHBondContact O-NH2 3.24Å; T317-R320 WeakPolarHBondContact O-CB 3.35Å; T317-R320 PolarHBondContact O-N 3.19Å
321	G	85.5	Confident	88.1	Confident	7 Å²	7	44.5 Å²	44.5	7%	0.072	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	139.8	174.7	0	0	0	0	0	111.8	F309 M310 L319	F309-G321 WeakPolarHBondContact CA-O 3.46Å; M310-G321 PolarHBondContact N-O 3.18Å; L319-G321 PolarHBondContact O-N 3.27Å
322	P	89.2	Confident	88.4	Confident	13 Å²	13	41.8 Å²	41.8	8%	0.084	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	133.1	171.4	28.9	-33.3	0	0	0	109.9	K243 Y269	K243-P322 HydrophobicContact CD-CB 4.47Å; K243-P322 HydrophobicContact CD-CG 4.34Å; K243-P322 WeakPolarHBondContact CE-O 3.47Å; K243-P322 PolarHBondContact NZ-O 2.78Å; Y269-P322 HydrophobicContact CD1-CB 4.28Å; Y269-P322 HydrophobicContact CD1-CG 4.24Å; Y269-P322 HydrophobicContact CD2-CB 3.61Å; Y269-P322 HydrophobicContact CD2-CG 3.99Å; Y269-P322 HydrophobicContact CE1-CG 4.22Å; Y269-P322 HydrophobicContact CE2-CB 4.08Å; Y269-P322 HydrophobicContact CE2-CG 3.96Å; Y269-P322 HydrophobicContact CG-CB 3.71Å; Y269-P322 HydrophobicContact CG-CG 4.12Å
323	R	89.2	Confident	88.7	Confident	73 Å²	73	42.1 Å²	42.1	28%	0.275	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.6	178.4	-174.8	-179.8	163.8	167.9	-6.9	109.7	D153 D235 T307 D308 M310 I325	D153-R323 IonicContact OD2-CZ 3.82Å; D153-R323 IonicContact OD2-NH2 2.78Å; D153-R323 PolarHBondContact OD2-NH2 2.88Å; D235-R323 HydrophobicContact CB-CG 3.67Å; T307-R323 WeakPolarHBondContact CA-O 3.18Å; D308-R323 PolarHBondContact N-O 2.93Å; D308-R323 PolarHBondContact O-N 3.22Å; M310-R323 HydrophobicContact CB-CB 4.13Å; R323-I325 HydrophobicContact CB-CG2 4.45Å; R323-I325 PolarHBondContact O-N 3.01Å
324	M	90.8	Very high	89	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	106.9	164.1	-61.4	174.9	177	0	0	108.4	F232 D235 R237 N272 A305 T307	F232-M324 HydrophobicContact CB-SD 4.45Å; F232-M324 HydrophobicContact CD1-SD 4Å; D235-M324 HydrophobicContact CB-CB 4.06Å; D235-M324 PolarHBondContact OD2-N 3.42Å; R237-M324 PolarHBondContact NH2-SD 3.49Å; R237-M324 VanDerWaalsContact NH2-SD 3.41Å; N272-M324 WeakPolarHBondContact OD1-CE 3.17Å; A305-M324 HydrophobicContact CB-CB 4.45Å; A305-M324 HydrophobicContact CB-CE 4.38Å; A305-M324 HydrophobicContact CB-CG 4.1Å; A305-M324 HydrophobicContact CB-SD 3.86Å; T307-M324 HydrophobicContact CG2-CG 3.86Å
325	I	91.9	Very high	89.3	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-14.4	-175.9	59.1	151.3	0	0	0	112.6	L111 M152 D153 T156 L306 D308 M310 R323	L111-I325 HydrophobicContact CD1-CD1 4.02Å; M152-I325 HydrophobicContact SD-CD1 4.18Å; D153-I325 VanDerWaalsContact CB-O 3.29Å; D153-I325 WeakPolarHBondContact CB-O 3.05Å; D153-I325 PolarHBondContact N-O 3.45Å; T156-I325 HydrophobicContact CG2-CB 4.42Å; T156-I325 HydrophobicContact CG2-CG2 4.46Å; T156-I325 PolarHBondContact OG1-O 2.72Å; L306-I325 HydrophobicContact CD1-CD1 3.55Å; L306-I325 HydrophobicContact CD1-CG1 3.4Å; L306-I325 VanDerWaalsContact CD1-CG1 3.4Å; L306-I325 HydrophobicContact CG-CG1 4.4Å; L306-I325 PolarHBondContact O-N 3.34Å; L306-I325 VanDerWaalsContact O-N 3.08Å; D308-I325 HydrophobicContact CB-CD1 3.47Å; D308-I325 VanDerWaalsContact CB-CD1 3.47Å; D308-I325 HydrophobicContact CB-CG1 3.74Å; D308-I325 HydrophobicContact CB-CG2 4.03Å; M310-I325 HydrophobicContact CB-CG2 4.41Å; M310-I325 HydrophobicContact CE-CG2 3.95Å; R323-I325 HydrophobicContact CB-CG2 4.45Å; R323-I325 PolarHBondContact O-N 3.01Å
326	G	93.4	Very high	89.7	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	177.4	-176.7	0	0	0	0	0	112.9	F151 L306	F151-G326 CarbonylContact O-C 3.44Å; F151-G326 WeakPolarHBondContact O-CA 3.21Å; L306-G326 PolarHBondContact N-O 2.05Å
327	V	95.3	Very high	90.1	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142	176.7	-62.2	0	0	0	0	110.5	F151 F232 I233 V303 A304 V329	F151-V327 HydrophobicContact CB-CG2 3.81Å; F151-V327 PolarHBondContact N-O 2.05Å; F151-V327 PolarHBondContact O-N 3.04Å; F232-V327 HydrophobicContact CB-CG1 3.66Å; F232-V327 HydrophobicContact CD2-CG1 4Å; F232-V327 HydrophobicContact CG-CG1 4.24Å; I233-V327 HydrophobicContact CD1-CG1 4.4Å; I233-V327 HydrophobicContact CD1-CG2 4.23Å; I233-V327 HydrophobicContact CG1-CG1 4.17Å; I233-V327 HydrophobicContact CG2-CG1 4.4Å; V303-V327 HydrophobicContact CG1-CB 3.76Å; V303-V327 HydrophobicContact CG1-CG1 4Å; V303-V327 HydrophobicContact CG1-CG2 4.23Å; A304-V327 CarbonylContact O-C 3.6Å; A304-V327 VanDerWaalsContact O-CA 3.27Å; A304-V327 WeakPolarHBondContact O-CA 2.88Å; V327-V329 HydrophobicContact CG2-CG2 4.24Å
328	V	96.3	Very high	90.5	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	135.1	166.9	-176.1	0	0	0	0	108.9	R103 A104 Y107 G149 V150 V303 A304 L306	R103-V328 HydrophobicContact CB-CB 4.27Å; R103-V328 HydrophobicContact CB-CG1 3.65Å; R103-V328 HydrophobicContact CB-CG2 4.03Å; R103-V328 HydrophobicContact CG-CG1 4.3Å; A104-V328 HydrophobicContact CB-CG2 4.39Å; Y107-V328 HydrophobicContact CD2-CG2 4.16Å; G149-V328 WeakPolarHBondContact O-CA 3.31Å; V150-V328 HydrophobicContact CG2-CG2 4.4Å; V303-V328 WeakPolarHBondContact CA-O 3.49Å; A304-V328 PolarHBondContact N-O 2.84Å; A304-V328 PolarHBondContact O-N 3.46Å; L306-V328 HydrophobicContact CD2-CG2 3.94Å
329	V	96	Very high	91	Very high	1 Å²	1	23 Å²	23	1%	0.006	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.6	-177.2	-176.1	0	0	0	0	108.8	S148 G149 F151 Y222 S302 V327	S148-V329 CarbonylContact C-O 3.53Å; S148-V329 WeakPolarHBondContact CA-O 3.45Å; G149-V329 PolarHBondContact N-O 3.48Å; G149-V329 PolarHBondContact O-N 2.86Å; F151-V329 HydrophobicContact CD2-CB 4.18Å; F151-V329 HydrophobicContact CD2-CG2 3.56Å; F151-V329 HydrophobicContact CE2-CB 3.92Å; F151-V329 HydrophobicContact CE2-CG2 3.7Å; Y222-V329 HydrophobicContact CD1-CG1 4.29Å; Y222-V329 HydrophobicContact CD2-CG1 4.43Å; Y222-V329 HydrophobicContact CD2-CG2 3.51Å; Y222-V329 HydrophobicContact CE2-CG2 4.27Å; Y222-V329 HydrophobicContact CG-CG1 4.03Å; Y222-V329 HydrophobicContact CG-CG2 3.8Å; S302-V329 WeakPolarHBondContact O-CA 3.31Å; V327-V329 HydrophobicContact CG2-CG2 4.24Å
330	Q	95.8	Very high	91.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.8	170.5	-58.8	-67.4	-25	0	0	107.2	L96 L99 A100 D137 I147 S301 S302	L96-Q330 HydrophobicContact CD1-CB 3.65Å; L96-Q330 WeakPolarHBondContact CD2-O 3.49Å; L96-Q330 HydrophobicContact CG-CB 4Å; L99-Q330 HydrophobicContact CB-CG 4.42Å; L99-Q330 HydrophobicContact CD2-CG 4.19Å; L99-Q330 HydrophobicContact CG-CG 4.1Å; A100-Q330 HydrophobicContact CB-CB 4.44Å; A100-Q330 HydrophobicContact CB-CG 3.93Å; D137-Q330 PolarHBondContact OD2-NE2 3.33Å; I147-Q330 CarbonylContact O-C 3.05Å; I147-Q330 WeakPolarHBondContact O-CA 3.4Å; S301-Q330 CarbonylContact C-O 3.55Å; S301-Q330 VanDerWaalsContact CA-O 3.31Å; S301-Q330 WeakPolarHBondContact CA-O 3.29Å; S302-Q330 PolarHBondContact N-O 3.4Å; S302-Q330 PolarHBondContact O-N 2.85Å; S302-Q330 PolarHBondContact OG-O 2.86Å
331	S	95.4	Very high	91.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.9	-176.8	-35.5	0	0	0	0	113	N146 I147 V300 S301	N146-S331 PolarHBondContact N-O 2.82Å; I147-S331 PolarHBondContact N-O 2.7Å; I147-S331 PolarHBondContact O-N 3.05Å; V300-S331 VanDerWaalsContact O-CA 3.25Å; V300-S331 WeakPolarHBondContact O-CA 3.35Å; S301-S331 WeakPolarHBondContact OG-CB 3.23Å; S301-S331 PolarHBondContact OG-OG 2.86Å
332	M	93.2	Very high	92	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	161.4	173.3	70	170.3	66.6	0	0	111.5	K92 L93 L96 V144 I299 V300 I337	K92-M332 HydrophobicContact CB-CE 4.03Å; K92-M332 VanDerWaalsContact O-CE 3.28Å; K92-M332 WeakPolarHBondContact O-CE 3.4Å; L93-M332 HydrophobicContact CD2-CE 4.14Å; L93-M332 HydrophobicContact CD2-SD 3.94Å; L96-M332 HydrophobicContact CB-CE 3.68Å; L96-M332 HydrophobicContact CD1-CB 4.44Å; L96-M332 HydrophobicContact CD1-CE 3.99Å; L96-M332 HydrophobicContact CD2-CE 3.89Å; L96-M332 HydrophobicContact CD2-CG 4.2Å; L96-M332 HydrophobicContact CG-CE 4.05Å; V144-M332 HydrophobicContact CG1-CE 3.99Å; V144-M332 WeakPolarHBondContact O-CB 3.4Å; I299-M332 CarbonylContact C-O 3.55Å; I299-M332 VanDerWaalsContact CA-O 3.22Å; I299-M332 WeakPolarHBondContact CA-O 3.39Å; I299-M332 WeakPolarHBondContact CB-O 3.45Å; V300-M332 PolarHBondContact N-O 3.13Å; V300-M332 PolarHBondContact O-N 3.44Å; M332-I337 HydrophobicContact CG-CD1 4.11Å; M332-I337 HydrophobicContact CG-CG1 4.41Å; M332-I337 HydrophobicContact SD-CD1 3.88Å; M332-I337 HydrophobicContact SD-CG1 3.72Å
333	D	92.8	Very high	92.2	Very high	13 Å²	13	19.8 Å²	19.8	7%	0.07	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126.9	174.4	-166.5	-26	0	0	0	111.1	Y335 R336	D333-Y335 PolarHBondContact O-N 3.48Å; D333-Y335 WeakPolarHBondContact OD1-CB 3.35Å; D333-Y335 WeakPolarHBondContact OD1-CD2 3.44Å; D333-Y335 PolarHBondContact OD1-N 2.83Å; D333-R336 HydrophobicContact CB-CG 4.07Å; D333-R336 PolarHBondContact O-N 3.38Å
334	F	93.3	Very high	92.3	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.018	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-62.7	-32.1	178	-179.6	-111.1	0	0	0	111.9	M49 L67 P288 W298 V300 R336 I337 F373	M49-F334 HydrophobicContact CE-CD1 3.62Å; M49-F334 HydrophobicContact CE-CE1 4.08Å; M49-F334 HydrophobicContact SD-CD1 4.02Å; M49-F334 HydrophobicContact SD-CE1 3.86Å; L67-F334 HydrophobicContact CD1-CD1 4.09Å; L67-F334 HydrophobicContact CD1-CE1 3.58Å; L67-F334 HydrophobicContact CD1-CZ 3.89Å; P288-F334 HydrophobicContact CB-CD2 3.77Å; P288-F334 HydrophobicContact CB-CE2 4.06Å; P288-F334 HydrophobicContact CB-CG 4.04Å; P288-F334 HydrophobicContact CG-CD2 3.69Å; P288-F334 HydrophobicContact CG-CE2 3.57Å; P288-F334 HydrophobicContact CG-CG 4.43Å; P288-F334 HydrophobicContact CG-CZ 4.24Å; W298-F334 HydrophobicContact CB-CB 4.07Å; W298-F334 WeakPolarHBondContact O-CB 2.89Å; W298-F334 PolarHBondContact O-N 3.44Å; V300-F334 HydrophobicContact CG2-CB 4.3Å; V300-F334 HydrophobicContact CG2-CD2 3.69Å; V300-F334 HydrophobicContact CG2-CG 4.43Å; F334-R336 PolarHBondContact O-N 3Å; F334-R336 VanDerWaalsContact O-N 3.09Å; F334-I337 HydrophobicContact CD2-CD1 4.13Å; F334-I337 WeakPolarHBondContact O-CB 3.4Å; F334-I337 PolarHBondContact O-N 3.5Å; F334-I337 VanDerWaalsContact O-N 3.08Å; F334-F373 HydrophobicContact CD1-CD2 4.44Å; F334-F373 HydrophobicContact CD1-CG 4.43Å; F334-F373 HydrophobicContact CE1-CD1 4.38Å; F334-F373 AromaticContact CE1-CD2 3.59Å; F334-F373 HydrophobicContact CE1-CD2 3.59Å; F334-F373 HydrophobicContact CE1-CE1 4.49Å; F334-F373 AromaticContact CE1-CE2 3.71Å; F334-F373 HydrophobicContact CE1-CE2 3.71Å; F334-F373 AromaticContact CE1-CG 3.96Å; F334-F373 HydrophobicContact CE1-CG 3.96Å; F334-F373 HydrophobicContact CE1-CZ 4.18Å; F334-F373 AromaticContact CZ-CD2 3.88Å; F334-F373 HydrophobicContact CZ-CD2 3.88Å; F334-F373 AromaticContact CZ-CE2 3.99Å; F334-F373 HydrophobicContact CZ-CE2 3.99Å
335	Y	91.7	Very high	92	Very high	92 Å²	92	21.5 Å²	21.5	36%	0.361	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-63.4	-19.8	179	-74.1	-74.4	0	0	0	113.7	M49 W298 D333 G372 F373	M49-Y335 HydrophobicContact CE-CD1 4.15Å; M49-Y335 HydrophobicContact CE-CD2 4.36Å; M49-Y335 HydrophobicContact CE-CE1 3.51Å; M49-Y335 HydrophobicContact CE-CE2 3.78Å; M49-Y335 WeakPolarHBondContact CE-OH 3.21Å; W298-Y335 HydrophobicContact CB-CE2 4.42Å; D333-Y335 PolarHBondContact O-N 3.48Å; D333-Y335 WeakPolarHBondContact OD1-CB 3.35Å; D333-Y335 WeakPolarHBondContact OD1-CD2 3.44Å; D333-Y335 PolarHBondContact OD1-N 2.83Å; Y335-G372 WeakPolarHBondContact O-CA 3.2Å; Y335-F373 HydrophobicContact CD1-CB 4.24Å; Y335-F373 HydrophobicContact CD1-CD1 4.02Å; Y335-F373 HydrophobicContact CE1-CD1 4.11Å; Y335-F373 PolarHBondContact O-N 2.81Å
336	R	88.6	Confident	91.5	Very high	65 Å²	65	26.4 Å²	26.4	25%	0.245	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-89.5	-4.1	-179.9	-64.9	-177.6	175	-178.6	-2.9	113.4	P142 N143 D333 F334	P142-R336 PolarHBondContact O-NH1 3.27Å; N143-R336 VanDerWaalsContact CA-NH1 3.27Å; N143-R336 PolarHBondContact O-NH1 3.17Å; D333-R336 HydrophobicContact CB-CG 4.07Å; D333-R336 PolarHBondContact O-N 3.38Å; F334-R336 PolarHBondContact O-N 3Å; F334-R336 VanDerWaalsContact O-N 3.09Å
337	I	89.7	Confident	90.6	Very high	14 Å²	14	29.3 Å²	29.3	7%	0.072	18%	0.176	C	C	.	.			trans	-90.8	126.6	-179.1	-59.8	172.3	0	0	0	108.8	L72 L93 V300 M332 F334 G372 F373	L72-I337 HydrophobicContact CD1-CD1 4.03Å; L72-I337 HydrophobicContact CD1-CG2 3.72Å; L93-I337 HydrophobicContact CD1-CG2 4.31Å; L93-I337 HydrophobicContact CD2-CD1 3.99Å; L93-I337 HydrophobicContact CD2-CG1 4.47Å; V300-I337 HydrophobicContact CB-CD1 4.02Å; V300-I337 HydrophobicContact CG2-CD1 3.81Å; M332-I337 HydrophobicContact CG-CD1 4.11Å; M332-I337 HydrophobicContact CG-CG1 4.41Å; M332-I337 HydrophobicContact SD-CD1 3.88Å; M332-I337 HydrophobicContact SD-CG1 3.72Å; F334-I337 HydrophobicContact CD2-CD1 4.13Å; F334-I337 WeakPolarHBondContact O-CB 3.4Å; F334-I337 PolarHBondContact O-N 3.5Å; F334-I337 VanDerWaalsContact O-N 3.08Å; I337-G372 CarbonylContact O-C 3.55Å; I337-G372 VanDerWaalsContact O-C 3.3Å; I337-F373 PolarHBondContact O-N 3.38Å
338	D	87.5	Confident	90.1	Very high	29 Å²	29	29.8 Å²	29.8	16%	0.155	18%	0.179	C	C	.	.			trans	-73.5	143.8	170.8	-60.6	-30.1	0	0	0	109.9	G370 F371 G372	D338-G370 PolarHBondContact OD1-N 3.23Å; D338-G370 PolarHBondContact OD2-N 3.23Å; D338-F371 PolarHBondContact OD1-N 3.17Å; D338-G372 WeakPolarHBondContact OD1-CA 3.43Å; D338-G372 PolarHBondContact OD1-N 3.22Å
339	F	88.9	Confident	89.7	Confident	19 Å²	19	33.1 Å²	33.1	8%	0.083	20%	0.201	C	C	.	.			trans	-119.4	161.8	169.8	67.5	-86.7	0	0	0	110.4	F42 P341 L353 I356 F373	F42-F339 HydrophobicContact CD2-CE1 4.18Å; F42-F339 HydrophobicContact CD2-CE2 4.49Å; F42-F339 AromaticContact CD2-CZ 3.74Å; F42-F339 HydrophobicContact CD2-CZ 3.74Å; F42-F339 HydrophobicContact CE2-CE1 4Å; F42-F339 AromaticContact CE2-CZ 3.94Å; F42-F339 HydrophobicContact CE2-CZ 3.94Å; F339-P341 HydrophobicContact CD2-CB 4.43Å; F339-P341 HydrophobicContact CE2-CB 3.92Å; F339-P341 VanDerWaalsContact O-CD 3.26Å; F339-P341 WeakPolarHBondContact O-CD 3.39Å; F339-L353 HydrophobicContact CB-CD1 3.92Å; F339-L353 HydrophobicContact CD1-CD1 4.22Å; F339-L353 HydrophobicContact CD2-CB 3.76Å; F339-L353 HydrophobicContact CD2-CD1 3.82Å; F339-L353 HydrophobicContact CD2-CG 4.35Å; F339-L353 HydrophobicContact CE2-CB 4.25Å; F339-L353 HydrophobicContact CE2-CD1 4.39Å; F339-L353 HydrophobicContact CG-CB 4.44Å; F339-L353 HydrophobicContact CG-CD1 3.72Å; F339-I356 HydrophobicContact CE2-CD1 3.61Å; F339-I356 HydrophobicContact CE2-CG1 4.46Å; F339-I356 HydrophobicContact CZ-CD1 4.16Å; F339-F373 AromaticContact CD1-CD2 3.83Å; F339-F373 HydrophobicContact CD1-CD2 3.83Å; F339-F373 HydrophobicContact CD1-CE2 4.33Å; F339-F373 AromaticContact CE1-CD2 3.98Å; F339-F373 HydrophobicContact CE1-CD2 3.98Å; F339-F373 HydrophobicContact CE1-CE2 4.32Å
340	N	89.3	Confident	89.4	Confident	11 Å²	11	39.4 Å²	39.4	6%	0.059	23%	0.234	C	C	.	.			trans	-99.4	102.8	178.6	-170.7	-0.2	0	0	0	111	C342 N348 H351	N340-C342 PolarHBondContact O-N 3.43Å; N340-C342 VanDerWaalsContact OD1-CB 3.26Å; N340-C342 WeakPolarHBondContact OD1-CB 3.31Å; N340-C342 PolarHBondContact OD1-N 3.15Å; N340-C342 PolarHBondContact OD1-SG 2.96Å; N340-N348 PolarHBondContact ND2-ND2 3.18Å; N340-N348 PolarHBondContact ND2-OD1 2.99Å; N340-H351 PolarHBondContact O-CE1 3.32Å; N340-H351 PolarHBondContact O-NE2 2.85Å
341	P	91.8	Very high	89.1	Confident	2 Å²	2	40 Å²	40	1%	0.013	24%	0.237	C	C	.	.			trans	-76	-7.9	-179	31.4	-36.6	0	0	0	113.8	F339 G355 I356 A357 Y378	F339-P341 HydrophobicContact CD2-CB 4.43Å; F339-P341 HydrophobicContact CE2-CB 3.92Å; F339-P341 VanDerWaalsContact O-CD 3.26Å; F339-P341 WeakPolarHBondContact O-CD 3.39Å; P341-G355 PolarHBondContact O-N 3.24Å; P341-G355 VanDerWaalsContact O-N 3.16Å; P341-I356 HydrophobicContact CB-CD1 4.07Å; P341-I356 HydrophobicContact CB-CG1 3.51Å; P341-I356 PolarHBondContact O-N 3.1Å; P341-I356 VanDerWaalsContact O-N 3.08Å; P341-A357 HydrophobicContact CB-CB 4.16Å; P341-A357 WeakPolarHBondContact O-CB 3.43Å; P341-A357 PolarHBondContact O-N 3.19Å; P341-Y378 HydrophobicContact CB-CD1 4.09Å; P341-Y378 HydrophobicContact CG-CD1 3.52Å; P341-Y378 HydrophobicContact CG-CE1 4.44Å; P341-Y378 HydrophobicContact CG-CG 3.85Å
342	C	92.5	Very high	88.9	Confident	9 Å²	9	42.4 Å²	42.4	6%	0.061	25%	0.246	C	C	.	.	S	Bend	trans	-68.1	158.2	-176.2	-61.8	0	0	0	0	112.3	N340 N348 G355 C365	N340-C342 PolarHBondContact O-N 3.43Å; N340-C342 VanDerWaalsContact OD1-CB 3.26Å; N340-C342 WeakPolarHBondContact OD1-CB 3.31Å; N340-C342 PolarHBondContact OD1-N 3.15Å; N340-C342 PolarHBondContact OD1-SG 2.96Å; C342-N348 PolarHBondContact O-ND2 2.69Å; C342-N348 VanDerWaalsContact O-ND2 3.09Å; C342-G355 PolarHBondContact O-N 3.43Å; C342-C365 WeakPolarHBondContact CA-SG 3.44Å; C342-C365 HydrophobicContact CB-CB 3.69Å; C342-C365 WeakPolarHBondContact CB-SG 3.46Å; C342-C365 WeakPolarHBondContact SG-CB 3.35Å; C342-C365 PolarHBondContact SG-O 2.91Å; C342-C365 CovalentContact SG-SG 2.05Å; C342-C365 PolarHBondContact SG-SG 3.27Å
343	P	92.1	Very high	88.9	Confident	76 Å²	76	42.3 Å²	42.3	49%	0.494	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-58.4	156.4	176.2	24.1	-34.5	0	0	0	112.1	N348	P343-N348 PolarHBondContact O-ND2 2.87Å
344	P	91	Very high	88.8	Confident	71 Å²	71	42.4 Å²	42.4	46%	0.461	25%	0.248	S	C	.	.	S	Bend	trans	-62.5	140.2	174.1	27.5	-34.1	0	0	0	110.3	N348 N350	P344-N348 WeakPolarHBondContact CA-O 3.23Å; P344-N350 HydrophobicContact CB-CB 4.17Å
345	G	85.9	Confident	88.6	Confident	41 Å²	41	44.2 Å²	44.2	42%	0.423	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-172.6	-171.9	-177.1	0	0	0	0	0	110.3	G347 N348	G345-G347 PolarHBondContact O-N 3.2Å; G345-N348 PolarHBondContact N-O 2.95Å; G345-N348 CarbonylContact O-C 3.3Å; G345-N348 PolarHBondContact O-N 2.88Å
346	L	80.1	Confident	88.6	Confident	105 Å²	105	40.6 Å²	40.6	55%	0.55	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	132.7	176.7	-164	95.1	0	0	0	110.8	N348 D543	L346-N348 PolarHBondContact O-N 3.48Å; L346-D543 HydrophobicContact CB-CB 4.43Å; L346-D543 WeakPolarHBondContact CB-OD1 3.19Å; L346-D543 WeakPolarHBondContact CD1-OD1 3.39Å; L346-D543 WeakPolarHBondContact CD2-OD1 3.45Å; L346-D543 WeakPolarHBondContact CD2-OD2 3.02Å; L346-D543 WeakPolarHBondContact CG-OD1 3.07Å
347	G	74.9	Confident	88.8	Confident	60 Å²	60	38.3 Å²	38.3	62%	0.619	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-10.8	-176.6	0	0	0	0	0	114.3	Q74 G345	Q74-G347 PolarHBondContact NE2-O 3.38Å; Q74-G347 VanDerWaalsContact NE2-O 3.15Å; G345-G347 PolarHBondContact O-N 3.2Å
348	N	86	Confident	88.8	Confident	10 Å²	10	39.7 Å²	39.7	5%	0.053	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-122.1	95.1	175.4	-167.5	39.4	0	0	0	111.3	N340 C342 P343 P344 G345 L346 H351	N340-N348 PolarHBondContact ND2-ND2 3.18Å; N340-N348 PolarHBondContact ND2-OD1 2.99Å; C342-N348 PolarHBondContact O-ND2 2.69Å; C342-N348 VanDerWaalsContact O-ND2 3.09Å; P343-N348 PolarHBondContact O-ND2 2.87Å; P344-N348 WeakPolarHBondContact CA-O 3.23Å; G345-N348 PolarHBondContact N-O 2.95Å; G345-N348 CarbonylContact O-C 3.3Å; G345-N348 PolarHBondContact O-N 2.88Å; L346-N348 PolarHBondContact O-N 3.48Å; N348-H351 PolarHBondContact OD1-NE2 2.62Å
349	P	86.2	Confident	89.1	Confident	72 Å²	72	39.8 Å²	39.8	47%	0.468	26%	0.257	S	S	.	.			trans	-63.7	157	179.8	28.6	-34.9	0	0	0	111.1	H351	P349-H351 PolarHBondContact O-CD2 2.85Å; P349-H351 PolarHBondContact O-N 3.29Å; P349-H351 VanDerWaalsContact O-N 3.12Å
350	N	89.7	Confident	89.2	Confident	132 Å²	132	39.7 Å²	39.7	71%	0.706	26%	0.257	S	S	*	.			trans	-67.1	112.2	173.2	-172	12.5	0	0	0	110.1	P344	P344-N350 HydrophobicContact CB-CB 4.17Å
351	H	90.6	Very high	89.3	Confident	12 Å²	12	44.4 Å²	44.4	6%	0.056	29%	0.288	C	S	.	.			trans	-134.3	167.1	-176.2	67.4	69.3	0	0	0	110.7	T70 S73 N340 N348 P349 L353 A354	T70-H351 WeakPolarHBondContact O-CB 3.26Å; S73-H351 WeakPolarHBondContact CB-CD2 3.45Å; S73-H351 PolarHBondContact OG-NE2 2.98Å; N340-H351 PolarHBondContact O-CE1 3.32Å; N340-H351 PolarHBondContact O-NE2 2.85Å; N348-H351 PolarHBondContact OD1-NE2 2.62Å; P349-H351 PolarHBondContact O-CD2 2.85Å; P349-H351 PolarHBondContact O-N 3.29Å; P349-H351 VanDerWaalsContact O-N 3.12Å; H351-L353 VanDerWaalsContact C-N 3.28Å; H351-L353 VanDerWaalsContact CE1-C 3.4Å; H351-L353 PolarHBondContact ND1-N 3.14Å; H351-L353 PolarHBondContact O-N 2.86Å; H351-A354 PolarHBondContact CE1-N 2.92Å; H351-A354 PolarHBondContact ND1-N 3.06Å; H351-A354 VanDerWaalsContact ND1-N 3.11Å; H351-A354 VanDerWaalsContact O-CB 3.23Å; H351-A354 WeakPolarHBondContact O-CB 3.43Å; H351-A354 PolarHBondContact O-N 2.97Å
352	Y	91.5	Very high	89.3	Confident	51 Å²	51	45.5 Å²	45.5	20%	0.2	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-38.9	-168.4	-169.3	-92.3	0	0	0	113.3	N41 I44 I45 P68 T70	N41-Y352 HydrophobicContact CB-CD1 3.87Å; N41-Y352 HydrophobicContact CB-CE1 3.55Å; N41-Y352 WeakPolarHBondContact CB-O 3.5Å; N41-Y352 PolarHBondContact ND2-O 2.65Å; N41-Y352 WeakPolarHBondContact O-CE1 3.44Å; I44-Y352 WeakPolarHBondContact CG2-OH 3.44Å; I45-Y352 HydrophobicContact CD1-CD1 3.24Å; I45-Y352 HydrophobicContact CD1-CE1 3.33Å; I45-Y352 HydrophobicContact CD1-CG 4.27Å; I45-Y352 HydrophobicContact CG1-CD1 4.02Å; I45-Y352 HydrophobicContact CG1-CE1 3.53Å; P68-Y352 HydrophobicContact CB-CD2 4.11Å; P68-Y352 HydrophobicContact CB-CE2 4.46Å; P68-Y352 HydrophobicContact CB-CG 4.49Å; P68-Y352 HydrophobicContact CG-CD2 4.08Å; P68-Y352 HydrophobicContact CG-CE2 3.98Å; P68-Y352 HydrophobicContact CG-CG 4.5Å; T70-Y352 WeakPolarHBondContact O-CB 3.4Å; T70-Y352 PolarHBondContact O-N 3.43Å; T70-Y352 PolarHBondContact OG1-N 2.94Å
353	L	92.3	Very high	89.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	11.3	178.2	-61.4	170.3	0	0	0	114.3	F42 I45 F339 H351 F373	F42-L353 HydrophobicContact CB-CD2 4.13Å; F42-L353 HydrophobicContact CD2-CD2 4.44Å; I45-L353 HydrophobicContact CD1-CD2 4.13Å; I45-L353 HydrophobicContact CD1-CG 4.45Å; F339-L353 HydrophobicContact CB-CD1 3.92Å; F339-L353 HydrophobicContact CD1-CD1 4.22Å; F339-L353 HydrophobicContact CD2-CB 3.76Å; F339-L353 HydrophobicContact CD2-CD1 3.82Å; F339-L353 HydrophobicContact CD2-CG 4.35Å; F339-L353 HydrophobicContact CE2-CB 4.25Å; F339-L353 HydrophobicContact CE2-CD1 4.39Å; F339-L353 HydrophobicContact CG-CB 4.44Å; F339-L353 HydrophobicContact CG-CD1 3.72Å; H351-L353 VanDerWaalsContact C-N 3.28Å; H351-L353 VanDerWaalsContact CE1-C 3.4Å; H351-L353 PolarHBondContact ND1-N 3.14Å; H351-L353 PolarHBondContact O-N 2.86Å; L353-F373 HydrophobicContact CD1-CE2 3.83Å
354	A	91.3	Very high	89.2	Confident	15 Å²	15	45.3 Å²	45.3	12%	0.124	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	146.2	179.6	0	0	0	0	0	110.4	H351 I356	H351-A354 PolarHBondContact CE1-N 2.92Å; H351-A354 PolarHBondContact ND1-N 3.06Å; H351-A354 VanDerWaalsContact ND1-N 3.11Å; H351-A354 VanDerWaalsContact O-CB 3.23Å; H351-A354 WeakPolarHBondContact O-CB 3.43Å; H351-A354 PolarHBondContact O-N 2.97Å; A354-I356 VanDerWaalsContact C-N 3.3Å; A354-I356 PolarHBondContact O-N 3.03Å
355	G	89.7	Confident	89.3	Confident	43 Å²	43	42.8 Å²	42.8	44%	0.443	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	17.2	175.2	0	0	0	0	0	115.4	P341 C342	P341-G355 PolarHBondContact O-N 3.24Å; P341-G355 VanDerWaalsContact O-N 3.16Å; C342-G355 PolarHBondContact O-N 3.43Å
356	I	91.6	Very high	89.5	Confident	16 Å²	16	43 Å²	43	8%	0.082	27%	0.266	C	S	.	.			trans	-84.8	-14.9	174.2	71.2	168	0	0	0	112.7	D40 N41 F42 F339 P341 A354 R358	D40-I356 HydrophobicContact CB-CG2 4.44Å; N41-I356 HydrophobicContact CB-CG2 4.47Å; F42-I356 HydrophobicContact CB-CD1 3.77Å; F42-I356 HydrophobicContact CD2-CD1 4.44Å; F42-I356 HydrophobicContact CG-CD1 4.43Å; F339-I356 HydrophobicContact CE2-CD1 3.61Å; F339-I356 HydrophobicContact CE2-CG1 4.46Å; F339-I356 HydrophobicContact CZ-CD1 4.16Å; P341-I356 HydrophobicContact CB-CD1 4.07Å; P341-I356 HydrophobicContact CB-CG1 3.51Å; P341-I356 PolarHBondContact O-N 3.1Å; P341-I356 VanDerWaalsContact O-N 3.08Å; A354-I356 VanDerWaalsContact C-N 3.3Å; A354-I356 PolarHBondContact O-N 3.03Å; I356-R358 PolarHBondContact O-N 3.2Å
357	A	92.1	Very high	89.9	Confident	17 Å²	17	39.7 Å²	39.7	14%	0.14	25%	0.251	C	S	.	.			trans	-63.1	129.8	177.8	0	0	0	0	0	111.1	P341 C359 C365 Y378	P341-A357 HydrophobicContact CB-CB 4.16Å; P341-A357 WeakPolarHBondContact O-CB 3.43Å; P341-A357 PolarHBondContact O-N 3.19Å; A357-C359 VanDerWaalsContact C-N 3.26Å; A357-C359 PolarHBondContact O-N 3.27Å; A357-C365 HydrophobicContact CB-CB 4.42Å; A357-C365 WeakPolarHBondContact CB-SG 3.46Å; A357-Y378 HydrophobicContact CB-CD1 4.27Å; A357-Y378 HydrophobicContact CB-CD2 3.88Å; A357-Y378 HydrophobicContact CB-CE1 4.15Å; A357-Y378 HydrophobicContact CB-CE2 3.76Å; A357-Y378 HydrophobicContact CB-CG 4.13Å
358	R	90.8	Very high	90.5	Very high	42 Å²	42	38.9 Å²	38.9	16%	0.158	23%	0.232	C	C	.	.			trans	-92.6	51	179.7	-65.7	-170	-78.5	-92.7	14.3	111.5	F37 D40 I356 Y378 I401 E402 Y409	F37-R358 VanDerWaalsContact CD1-NH2 3.25Å; F37-R358 VanDerWaalsContact CE1-CZ 3.46Å; D40-R358 IonicContact OD2-NH1 3.97Å; I356-R358 PolarHBondContact O-N 3.2Å; R358-Y378 PolarHBondContact N-OH 3.12Å; R358-I401 HydrophobicContact CB-CG2 3.73Å; R358-E402 IonicContact CZ-OE1 3.16Å; R358-E402 IonicContact CZ-OE2 3.82Å; R358-E402 IonicContact NE-OE1 3.92Å; R358-E402 IonicContact NH1-OE1 3.55Å; R358-E402 IonicContact NH1-OE2 3.25Å; R358-E402 PolarHBondContact NH1-OE2 2.97Å; R358-E402 IonicContact NH2-OE1 3.28Å; R358-E402 IonicContact NH2-OE2 3.68Å; R358-E402 PolarHBondContact NH2-OE2 3.08Å; R358-Y409 HydrophobicContact CB-CE2 4.26Å; R358-Y409 WeakPolarHBondContact O-CE2 3.39Å; R358-Y409 PolarHBondContact O-OH 3.1Å
359	C	92.5	Very high	90.3	Very high	31 Å²	31	41.5 Å²	41.5	21%	0.209	25%	0.25	C	C	.	.			trans	-78.7	138.6	172	-66.1	0	0	0	0	110.1	A357 T363 C365 C380	A357-C359 VanDerWaalsContact C-N 3.26Å; A357-C359 PolarHBondContact O-N 3.27Å; C359-T363 WeakPolarHBondContact CB-OG1 3.45Å; C359-C365 HydrophobicContact CB-CB 4.43Å; C359-C380 WeakPolarHBondContact CA-SG 3.36Å; C359-C380 HydrophobicContact CB-CB 3.89Å; C359-C380 WeakPolarHBondContact CB-SG 3.24Å; C359-C380 WeakPolarHBondContact SG-CB 3.46Å; C359-C380 CovalentContact SG-SG 2.04Å; C359-C380 PolarHBondContact SG-SG 2.85Å
360	K	92	Very high	90.1	Very high	18 Å²	18	41.1 Å²	41.1	8%	0.078	26%	0.258	C	S	.	.			trans	-74.4	159.1	175.8	-76.3	-162	173.5	-179.1	0	111.6	T362 T363 Y409 R410 N412 F413 D414	K360-T362 PolarHBondContact O-N 3.33Å; K360-T362 VanDerWaalsContact O-N 3.12Å; K360-T363 PolarHBondContact N-OG1 3.04Å; K360-T363 WeakPolarHBondContact O-CA 3.25Å; K360-T363 PolarHBondContact O-N 3.35Å; K360-T363 PolarHBondContact O-OG1 2.76Å; K360-Y409 WeakPolarHBondContact CE-O 3.44Å; K360-Y409 HydrophobicContact CG-CE2 4.42Å; K360-Y409 PolarHBondContact NZ-O 2.99Å; K360-R410 PolarHBondContact NZ-O 2.81Å; K360-N412 VanDerWaalsContact CE-O 3.26Å; K360-N412 WeakPolarHBondContact CE-O 3.5Å; K360-N412 PolarHBondContact NZ-O 2.88Å; K360-F413 HydrophobicContact CD-CB 4.41Å; K360-D414 HydrophobicContact CD-CB 4.46Å; K360-D414 WeakPolarHBondContact CD-OD1 3.25Å; K360-D414 VanDerWaalsContact CD-OD2 3.31Å; K360-D414 WeakPolarHBondContact CD-OD2 3.25Å; K360-D414 IonicContact NZ-OD2 3.22Å; K360-D414 PolarHBondContact NZ-OD2 2.84Å
361	P	90.6	Very high	90	Very high	110 Å²	110	37.5 Å²	37.5	71%	0.714	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.4	-177.9	24.6	-35.9	0	0	0	114.3	T363 Q383	P361-T363 PolarHBondContact O-N 2.97Å; P361-Q383 PolarHBondContact O-NE2 3.24Å; P361-Q383 PolarHBondContact O-OE1 2.99Å
362	T	91.2	Very high	89.9	Confident	25 Å²	25	37.5 Å²	37.5	15%	0.153	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-5.7	173.9	55.6	0	0	0	0	113.3	K360 Q383 D414 C415	K360-T362 PolarHBondContact O-N 3.33Å; K360-T362 VanDerWaalsContact O-N 3.12Å; T362-Q383 PolarHBondContact O-N 3.05Å; T362-Q383 VanDerWaalsContact O-N 3.12Å; T362-D414 WeakPolarHBondContact OG1-CA 3.34Å; T362-D414 PolarHBondContact OG1-OD1 3.39Å; T362-C415 PolarHBondContact OG1-N 3.03Å
363	T	92.8	Very high	89.8	Confident	6 Å²	6	35.6 Å²	35.6	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	157.8	-174.7	64.5	0	0	0	0	112.2	C359 K360 P361 C380 V381 Q383 F396 C415	C359-T363 WeakPolarHBondContact CB-OG1 3.45Å; K360-T363 PolarHBondContact N-OG1 3.04Å; K360-T363 WeakPolarHBondContact O-CA 3.25Å; K360-T363 PolarHBondContact O-N 3.35Å; K360-T363 PolarHBondContact O-OG1 2.76Å; P361-T363 PolarHBondContact O-N 2.97Å; T363-C380 HydrophobicContact CG2-CB 4.22Å; T363-V381 CarbonylContact C-O 3.58Å; T363-V381 WeakPolarHBondContact CA-O 3.36Å; T363-V381 VanDerWaalsContact CB-O 3.31Å; T363-V381 WeakPolarHBondContact CB-O 3.35Å; T363-Q383 PolarHBondContact O-NE2 3.39Å; T363-F396 HydrophobicContact CG2-CD2 3.91Å; T363-F396 HydrophobicContact CG2-CE2 4.01Å; T363-C415 VanDerWaalsContact CG2-SG 3.58Å
364	L	91.1	Very high	89.7	Confident	74 Å²	74	42 Å²	42	39%	0.387	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.9	176.9	177.8	70.8	0	0	0	108.9	C380 V381 Q383	L364-C380 CarbonylContact O-C 3.55Å; L364-C380 WeakPolarHBondContact O-CA 3.43Å; L364-V381 HydrophobicContact CB-CG2 3.84Å; L364-V381 HydrophobicContact CD2-CG2 4.14Å; L364-V381 HydrophobicContact CG-CG2 4.3Å; L364-V381 PolarHBondContact N-O 3.37Å; L364-V381 PolarHBondContact O-N 3.48Å; L364-Q383 HydrophobicContact CB-CG 4.14Å
365	C	92.1	Very high	89.7	Confident	19 Å²	19	44.1 Å²	44.1	13%	0.128	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	130.6	178.6	-178	0	0	0	0	111.6	C342 A357 C359	C342-C365 WeakPolarHBondContact CA-SG 3.44Å; C342-C365 HydrophobicContact CB-CB 3.69Å; C342-C365 WeakPolarHBondContact CB-SG 3.46Å; C342-C365 WeakPolarHBondContact SG-CB 3.35Å; C342-C365 PolarHBondContact SG-O 2.91Å; C342-C365 CovalentContact SG-SG 2.05Å; C342-C365 PolarHBondContact SG-SG 3.27Å; A357-C365 HydrophobicContact CB-CB 4.42Å; A357-C365 WeakPolarHBondContact CB-SG 3.46Å; C359-C365 HydrophobicContact CB-CB 4.43Å
366	V	89.8	Confident	89.7	Confident	45 Å²	45	42.2 Å²	42.2	27%	0.273	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.4	172.1	179.5	0	0	0	0	108.8	Y378 Q379 V381	V366-Y378 CarbonylContact O-C 3.49Å; V366-Y378 WeakPolarHBondContact O-CA 3.46Å; V366-Q379 HydrophobicContact CB-CG 4.06Å; V366-Q379 PolarHBondContact N-O 2.99Å; V366-Q379 PolarHBondContact O-N 3.46Å; V366-V381 HydrophobicContact CG2-CG1 3.92Å; V366-V381 HydrophobicContact CG2-CG2 3.79Å
367	P	88.9	Confident	89.7	Confident	36 Å²	36	41.7 Å²	41.7	23%	0.234	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	143.3	178.9	29.2	-33.7	0	0	0	111.3
368	L	87	Confident	89.8	Confident	42 Å²	42	41 Å²	41	22%	0.22	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-96.8	130	174.8	-68.8	176.8	0	0	0	110	G377 Q379	L368-G377 PolarHBondContact N-O 2.8Å; L368-Q379 HydrophobicContact CD1-CB 4.46Å; L368-Q379 HydrophobicContact CD2-CB 4.45Å; L368-Q379 HydrophobicContact CD2-CG 4Å; L368-Q379 HydrophobicContact CG-CB 4.46Å; L368-Q379 HydrophobicContact CG-CG 4.38Å
369	P	82.4	Confident	89.9	Confident	66 Å²	66	40.7 Å²	40.7	43%	0.429	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	157.2	177.1	32.7	-34.6	0	0	0	112.9	N89 F371	N89-P369 HydrophobicContact CB-CB 3.45Å; N89-P369 VanDerWaalsContact CB-CB 3.45Å; N89-P369 HydrophobicContact CB-CG 4.33Å; N89-P369 VanDerWaalsContact ND2-CB 3.25Å; N89-P369 WeakPolarHBondContact ND2-CB 3.15Å; N89-P369 WeakPolarHBondContact ND2-CG 3.41Å; P369-F371 VanDerWaalsContact C-N 3.3Å
370	G	82	Confident	89.9	Confident	63 Å²	63	39.3 Å²	39.3	65%	0.649	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	17.4	177.2	0	0	0	0	0	114.3	D338	D338-G370 PolarHBondContact OD1-N 3.23Å; D338-G370 PolarHBondContact OD2-N 3.23Å
371	F	87.1	Confident	89.8	Confident	57 Å²	57	38.8 Å²	38.8	25%	0.25	23%	0.227	C	C	.	.			trans	-88.4	-22.9	-176.2	-159	-98.7	0	0	0	112.8	D338 P369 K374 R375 G377 V399	D338-F371 PolarHBondContact OD1-N 3.17Å; P369-F371 VanDerWaalsContact C-N 3.3Å; F371-K374 HydrophobicContact CD1-CB 3.64Å; F371-K374 WeakPolarHBondContact CD1-O 3.46Å; F371-K374 HydrophobicContact CE1-CB 3.3Å; F371-K374 VanDerWaalsContact CE1-O 3.31Å; F371-K374 WeakPolarHBondContact CE1-O 3.41Å; F371-K374 HydrophobicContact CZ-CB 4.27Å; F371-R375 WeakPolarHBondContact CE1-O 3.38Å; F371-R375 WeakPolarHBondContact CZ-O 3.4Å; F371-G377 VanDerWaalsContact CE1-N 3.27Å; F371-V399 HydrophobicContact CE2-CG2 3.75Å; F371-V399 HydrophobicContact CZ-CG2 3.65Å
372	G	88.2	Confident	89.7	Confident	12 Å²	12	34.2 Å²	34.2	12%	0.124	20%	0.198	C	C	.	.			trans	69.5	-165.3	-172.7	0	0	0	0	0	112.7	Y335 I337 D338 K374	Y335-G372 WeakPolarHBondContact O-CA 3.2Å; I337-G372 CarbonylContact O-C 3.55Å; I337-G372 VanDerWaalsContact O-C 3.3Å; D338-G372 WeakPolarHBondContact OD1-CA 3.43Å; D338-G372 PolarHBondContact OD1-N 3.22Å; G372-K374 VanDerWaalsContact C-N 3.27Å; G372-K374 PolarHBondContact O-N 2.9Å
373	F	90.8	Very high	89.6	Confident	11 Å²	11	35.8 Å²	35.8	5%	0.048	20%	0.203	C	C	.	.	S	Bend	trans	-77.9	78.2	174	-172.2	-100.7	0	0	0	110.2	F42 I45 M49 F334 Y335 I337 F339 L353	F42-F373 HydrophobicContact CD2-CE1 4.45Å; F42-F373 HydrophobicContact CD2-CE2 4.15Å; F42-F373 AromaticContact CD2-CZ 3.87Å; F42-F373 HydrophobicContact CD2-CZ 3.87Å; F42-F373 HydrophobicContact CE2-CD1 4.19Å; F42-F373 HydrophobicContact CE2-CD2 4.39Å; F42-F373 AromaticContact CE2-CE1 3.69Å; F42-F373 HydrophobicContact CE2-CE1 3.69Å; F42-F373 AromaticContact CE2-CE2 3.92Å; F42-F373 HydrophobicContact CE2-CE2 3.92Å; F42-F373 AromaticContact CE2-CZ 3.53Å; F42-F373 HydrophobicContact CE2-CZ 3.53Å; F42-F373 HydrophobicContact CZ-CD1 4.44Å; F42-F373 AromaticContact CZ-CE1 3.92Å; F42-F373 HydrophobicContact CZ-CE1 3.92Å; F42-F373 HydrophobicContact CZ-CZ 4.15Å; I45-F373 HydrophobicContact CB-CZ 4.45Å; I45-F373 HydrophobicContact CG2-CE1 4.32Å; I45-F373 HydrophobicContact CG2-CE2 4.29Å; I45-F373 HydrophobicContact CG2-CZ 3.58Å; M49-F373 HydrophobicContact CE-CD1 4.29Å; M49-F373 HydrophobicContact CE-CE1 4.28Å; M49-F373 HydrophobicContact SD-CD1 4.23Å; M49-F373 HydrophobicContact SD-CE1 3.66Å; M49-F373 HydrophobicContact SD-CZ 4.03Å; F334-F373 HydrophobicContact CD1-CD2 4.44Å; F334-F373 HydrophobicContact CD1-CG 4.43Å; F334-F373 HydrophobicContact CE1-CD1 4.38Å; F334-F373 AromaticContact CE1-CD2 3.59Å; F334-F373 HydrophobicContact CE1-CD2 3.59Å; F334-F373 HydrophobicContact CE1-CE1 4.49Å; F334-F373 AromaticContact CE1-CE2 3.71Å; F334-F373 HydrophobicContact CE1-CE2 3.71Å; F334-F373 AromaticContact CE1-CG 3.96Å; F334-F373 HydrophobicContact CE1-CG 3.96Å; F334-F373 HydrophobicContact CE1-CZ 4.18Å; F334-F373 AromaticContact CZ-CD2 3.88Å; F334-F373 HydrophobicContact CZ-CD2 3.88Å; F334-F373 AromaticContact CZ-CE2 3.99Å; F334-F373 HydrophobicContact CZ-CE2 3.99Å; Y335-F373 HydrophobicContact CD1-CB 4.24Å; Y335-F373 HydrophobicContact CD1-CD1 4.02Å; Y335-F373 HydrophobicContact CE1-CD1 4.11Å; Y335-F373 PolarHBondContact O-N 2.81Å; I337-F373 PolarHBondContact O-N 3.38Å; F339-F373 AromaticContact CD1-CD2 3.83Å; F339-F373 HydrophobicContact CD1-CD2 3.83Å; F339-F373 HydrophobicContact CD1-CE2 4.33Å; F339-F373 AromaticContact CE1-CD2 3.98Å; F339-F373 HydrophobicContact CE1-CD2 3.98Å; F339-F373 HydrophobicContact CE1-CE2 4.32Å; L353-F373 HydrophobicContact CD1-CE2 3.83Å
374	K	90.7	Very high	89.1	Confident	135 Å²	135	37.5 Å²	37.5	59%	0.587	22%	0.215	S	C	*	.			trans	-142.6	149.2	177.8	-68.3	-178.9	-177.5	178.5	0	110.8	F371 G372	F371-K374 HydrophobicContact CD1-CB 3.64Å; F371-K374 WeakPolarHBondContact CD1-O 3.46Å; F371-K374 HydrophobicContact CE1-CB 3.3Å; F371-K374 VanDerWaalsContact CE1-O 3.31Å; F371-K374 WeakPolarHBondContact CE1-O 3.41Å; F371-K374 HydrophobicContact CZ-CB 4.27Å; G372-K374 VanDerWaalsContact C-N 3.27Å; G372-K374 PolarHBondContact O-N 2.9Å
375	R	89.5	Confident	88.8	Confident	58 Å²	58	34.4 Å²	34.4	22%	0.219	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	142.3	172	-75.1	-176.1	170.4	-83.6	-9.9	112	D40 F42 D43 F371 E402	D40-R375 IonicContact OD1-CZ 3.53Å; D40-R375 IonicContact OD1-NH1 3.83Å; D40-R375 IonicContact OD1-NH2 3.31Å; D40-R375 PolarHBondContact OD1-NH2 2.72Å; D40-R375 IonicContact OD2-CZ 2.71Å; D40-R375 IonicContact OD2-NH1 2.68Å; D40-R375 PolarHBondContact OD2-NH1 2.98Å; D40-R375 IonicContact OD2-NH2 2.75Å; D40-R375 PolarHBondContact OD2-NH2 2.8Å; F42-R375 HydrophobicContact CD1-CG 3.5Å; F42-R375 HydrophobicContact CD2-CG 4.31Å; F42-R375 HydrophobicContact CE1-CG 3.39Å; F42-R375 HydrophobicContact CE2-CG 4.19Å; F42-R375 HydrophobicContact CG-CG 3.99Å; F42-R375 HydrophobicContact CZ-CG 3.75Å; D43-R375 IonicContact OD1-CZ 3.46Å; D43-R375 IonicContact OD1-NE 3.28Å; D43-R375 PolarHBondContact OD1-NE 3.1Å; D43-R375 IonicContact OD1-NH2 2.91Å; D43-R375 PolarHBondContact OD1-NH2 2.88Å; D43-R375 IonicContact OD2-CZ 3.86Å; D43-R375 IonicContact OD2-NH2 2.82Å; D43-R375 PolarHBondContact OD2-NH2 3.11Å; F371-R375 WeakPolarHBondContact CE1-O 3.38Å; F371-R375 WeakPolarHBondContact CZ-O 3.4Å; R375-E402 HydrophobicContact CB-CG 4.33Å; R375-E402 IonicContact CZ-OE2 2.7Å; R375-E402 IonicContact NH1-OE2 3.16Å; R375-E402 PolarHBondContact NH1-OE2 3.16Å
376	G	90.4	Very high	88.5	Confident	3 Å²	3	36.1 Å²	36.1	3%	0.031	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	11.3	175.1	0	0	0	0	0	114.8	Y378 V399	G376-Y378 PolarHBondContact O-N 3.09Å; G376-V399 PolarHBondContact O-N 3.01Å
377	G	91.3	Very high	88.2	Confident	6 Å²	6	35.6 Å²	35.6	6%	0.062	20%	0.2	C	C	.	.			trans	-70.8	40.8	173.7	0	0	0	0	0	114.4	L368 F371	L368-G377 PolarHBondContact N-O 2.8Å; F371-G377 VanDerWaalsContact CE1-N 3.27Å
378	Y	93.8	Very high	88.1	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	168.2	178.4	62.9	-82.8	0	0	0	110.4	P341 A357 R358 V366 G376 G398 I401 E402	P341-Y378 HydrophobicContact CB-CD1 4.09Å; P341-Y378 HydrophobicContact CG-CD1 3.52Å; P341-Y378 HydrophobicContact CG-CE1 4.44Å; P341-Y378 HydrophobicContact CG-CG 3.85Å; A357-Y378 HydrophobicContact CB-CD1 4.27Å; A357-Y378 HydrophobicContact CB-CD2 3.88Å; A357-Y378 HydrophobicContact CB-CE1 4.15Å; A357-Y378 HydrophobicContact CB-CE2 3.76Å; A357-Y378 HydrophobicContact CB-CG 4.13Å; R358-Y378 PolarHBondContact N-OH 3.12Å; V366-Y378 CarbonylContact O-C 3.49Å; V366-Y378 WeakPolarHBondContact O-CA 3.46Å; G376-Y378 PolarHBondContact O-N 3.09Å; Y378-G398 VanDerWaalsContact O-CA 3.28Å; Y378-G398 WeakPolarHBondContact O-CA 3.29Å; Y378-G398 PolarHBondContact O-N 3.09Å; Y378-I401 HydrophobicContact CE2-CD1 4.34Å; Y378-E402 HydrophobicContact CE1-CG 4.27Å; Y378-E402 WeakPolarHBondContact CE1-OE1 3.24Å; Y378-E402 PolarHBondContact OH-OE1 3.31Å
379	Q	93	Very high	87.9	Confident	36 Å²	36	35.3 Å²	35.3	17%	0.168	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.1	167.6	62.6	177.8	36	0	0	108.9	V366 L368 V381 P395 F396	V366-Q379 HydrophobicContact CB-CG 4.06Å; V366-Q379 PolarHBondContact N-O 2.99Å; V366-Q379 PolarHBondContact O-N 3.46Å; L368-Q379 HydrophobicContact CD1-CB 4.46Å; L368-Q379 HydrophobicContact CD2-CB 4.45Å; L368-Q379 HydrophobicContact CD2-CG 4Å; L368-Q379 HydrophobicContact CG-CB 4.46Å; L368-Q379 HydrophobicContact CG-CG 4.38Å; Q379-V381 HydrophobicContact CG-CG1 4.42Å; Q379-P395 HydrophobicContact CB-CB 4.43Å; Q379-P395 HydrophobicContact CB-CG 4.47Å; Q379-P395 HydrophobicContact CG-CG 4.44Å; Q379-F396 CarbonylContact C-O 3.49Å; Q379-F396 WeakPolarHBondContact CA-O 3.35Å
380	C	93.4	Very high	87.7	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	109.4	174.2	-49.1	0	0	0	0	108.2	C359 T363 L364 F396 I401	C359-C380 WeakPolarHBondContact CA-SG 3.36Å; C359-C380 HydrophobicContact CB-CB 3.89Å; C359-C380 WeakPolarHBondContact CB-SG 3.24Å; C359-C380 WeakPolarHBondContact SG-CB 3.46Å; C359-C380 CovalentContact SG-SG 2.04Å; C359-C380 PolarHBondContact SG-SG 2.85Å; T363-C380 HydrophobicContact CG2-CB 4.22Å; L364-C380 CarbonylContact O-C 3.55Å; L364-C380 WeakPolarHBondContact O-CA 3.43Å; C380-F396 HydrophobicContact CB-CB 4.23Å; C380-F396 PolarHBondContact N-O 3.28Å; C380-F396 PolarHBondContact O-N 3.42Å; C380-I401 HydrophobicContact CB-CD1 4.37Å; C380-I401 WeakPolarHBondContact SG-CD1 3.41Å
381	V	89.6	Confident	87.5	Confident	8 Å²	8	40.3 Å²	40.3	5%	0.048	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	159.3	172.1	-55.2	0	0	0	0	108.9	T363 L364 V366 Q379 P395 W897	T363-V381 CarbonylContact C-O 3.58Å; T363-V381 WeakPolarHBondContact CA-O 3.36Å; T363-V381 VanDerWaalsContact CB-O 3.31Å; T363-V381 WeakPolarHBondContact CB-O 3.35Å; L364-V381 HydrophobicContact CB-CG2 3.84Å; L364-V381 HydrophobicContact CD2-CG2 4.14Å; L364-V381 HydrophobicContact CG-CG2 4.3Å; L364-V381 PolarHBondContact N-O 3.37Å; L364-V381 PolarHBondContact O-N 3.48Å; V366-V381 HydrophobicContact CG2-CG1 3.92Å; V366-V381 HydrophobicContact CG2-CG2 3.79Å; Q379-V381 HydrophobicContact CG-CG1 4.42Å; V381-P395 HydrophobicContact CG1-CB 3.91Å; V381-W897 HydrophobicContact CB-CH2 4.47Å; V381-W897 HydrophobicContact CG1-CH2 4.31Å; V381-W897 HydrophobicContact CG2-CH2 4.36Å; V381-W897 HydrophobicContact CG2-CZ2 4.19Å
382	C	88.7	Confident	87.1	Confident	14 Å²	14	40.6 Å²	40.6	10%	0.095	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	144.6	175.7	-63.2	0	0	0	0	111.2	H386 L388 C415	C382-H386 HydrophobicContact CB-CB 4.18Å; C382-H386 WeakPolarHBondContact CB-O 3.44Å; C382-L388 VanDerWaalsContact SG-CD2 3.56Å; C382-L388 PolarHBondContact SG-N 3.04Å; C382-C415 WeakPolarHBondContact CA-SG 3.45Å; C382-C415 HydrophobicContact CB-CB 3.76Å; C382-C415 WeakPolarHBondContact CB-SG 3.45Å; C382-C415 WeakPolarHBondContact SG-CB 3.46Å; C382-C415 CovalentContact SG-SG 2.04Å; C382-C415 PolarHBondContact SG-SG 2.82Å
383	Q	88.2	Confident	86.5	Confident	57 Å²	57	43.4 Å²	43.4	27%	0.266	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-65.4	155.6	171.4	-73.2	-176.2	0.5	0	0	111.1	P361 T362 T363 L364 G385 H386	P361-Q383 PolarHBondContact O-NE2 3.24Å; P361-Q383 PolarHBondContact O-OE1 2.99Å; T362-Q383 PolarHBondContact O-N 3.05Å; T362-Q383 VanDerWaalsContact O-N 3.12Å; T363-Q383 PolarHBondContact O-NE2 3.39Å; L364-Q383 HydrophobicContact CB-CG 4.14Å; Q383-G385 PolarHBondContact O-N 2.87Å; Q383-G385 VanDerWaalsContact O-N 3.14Å; Q383-H386 PolarHBondContact O-N 3.36Å
384	P	83.6	Confident	86.1	Confident	42 Å²	42	44.1 Å²	44.1	27%	0.273	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	123.6	170.2	-30	36.3	0	0	0	111.1	R895	P384-R895 VanDerWaalsContact CG-O 3.26Å; P384-R895 WeakPolarHBondContact CG-O 3.05Å
385	G	83.3	Confident	85.9	Confident	9 Å²	9	39 Å²	39	9%	0.093	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	7.2	179.8	0	0	0	0	0	117.5	Q383 V418 R421	Q383-G385 PolarHBondContact O-N 2.87Å; Q383-G385 VanDerWaalsContact O-N 3.14Å; G385-V418 VanDerWaalsContact O-CB 3.3Å; G385-V418 WeakPolarHBondContact O-CB 3.28Å; G385-V418 WeakPolarHBondContact O-CG2 3.23Å; G385-V418 PolarHBondContact O-N 3.12Å; G385-R421 PolarHBondContact O-NH2 3.02Å
386	H	87.2	Confident	86.1	Confident	55 Å²	55	36.5 Å²	36.5	26%	0.255	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	157	162.6	-62.3	75.8	0	0	0	109.3	C382 Q383 C415 I416	C382-H386 HydrophobicContact CB-CB 4.18Å; C382-H386 WeakPolarHBondContact CB-O 3.44Å; Q383-H386 PolarHBondContact O-N 3.36Å; H386-C415 HydrophobicContact CB-CB 3.64Å; H386-I416 CarbonylContact C-O 3.46Å; H386-I416 VanDerWaalsContact CA-O 3.28Å; H386-I416 WeakPolarHBondContact CA-O 3.47Å
387	R	84.1	Confident	86.1	Confident	35 Å²	35	42.4 Å²	42.4	13%	0.132	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	158	178	65.5	166.8	175.2	86.6	-3.6	112.2	C415 I416 V418 E889 G927	R387-C415 WeakPolarHBondContact O-CA 3.38Å; R387-C415 WeakPolarHBondContact O-CB 3.48Å; R387-I416 HydrophobicContact CG-CB 4.39Å; R387-I416 PolarHBondContact N-O 2.83Å; R387-I416 PolarHBondContact O-N 2.9Å; R387-V418 HydrophobicContact CB-CG2 4.2Å; R387-V418 HydrophobicContact CG-CG2 4.34Å; R387-E889 HydrophobicContact CB-CB 4.24Å; R387-E889 WeakPolarHBondContact CD-OE2 3.44Å; R387-E889 IonicContact NE-OE2 3.41Å; R387-E889 PolarHBondContact NE-OE2 2.85Å; R387-G927 PolarHBondContact NH2-O 2.78Å
388	L	84.8	Confident	86.2	Confident	49 Å²	49	42.1 Å²	42.1	26%	0.257	21%	0.207	S	C	.	.			trans	-66.1	144.3	174.4	-70	167.6	0	0	0	110.3	C382 Q392 G394 F396	C382-L388 VanDerWaalsContact SG-CD2 3.56Å; C382-L388 PolarHBondContact SG-N 3.04Å; L388-Q392 HydrophobicContact CD2-CG 4.32Å; L388-G394 WeakPolarHBondContact CD1-O 3.29Å; L388-F396 HydrophobicContact CD2-CD2 4.36Å; L388-F396 HydrophobicContact CD2-CE2 3.92Å; L388-F396 HydrophobicContact CD2-CZ 4.09Å
389	P	83.3	Confident	86.1	Confident	23 Å²	23	44.6 Å²	44.6	15%	0.149	22%	0.222	C	C	.	.			trans	-54.9	146.7	165.3	-23.2	33.5	0	0	0	110.9	E391 Q392 I416	P389-E391 PolarHBondContact O-N 3.31Å; P389-Q392 HydrophobicContact CB-CB 4.36Å; P389-Q392 PolarHBondContact O-N 2.74Å; P389-Q392 VanDerWaalsContact O-N 3.1Å; P389-I416 HydrophobicContact CB-CD1 4.23Å; P389-I416 HydrophobicContact CG-CD1 4.34Å; P389-I416 HydrophobicContact CG-CG1 4.4Å
390	Y	78	Confident	86	Confident	155 Å²	155	44.2 Å²	44.2	61%	0.608	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-26.6	-178.5	75.5	-83.1	0	0	0	111.7	Q392 Q886	Y390-Q392 VanDerWaalsContact C-N 3.31Å; Y390-Q886 PolarHBondContact O-NE2 2.72Å
391	E	77.9	Confident	85.9	Confident	79 Å²	79	44.2 Å²	44.2	37%	0.369	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-18.8	176.5	-54.9	101.4	155.9	0	0	114	P389	P389-E391 PolarHBondContact O-N 3.31Å
392	Q	79.4	Confident	85.9	Confident	62 Å²	62	45 Å²	45	29%	0.29	22%	0.224	S	C	.	.			trans	-91.3	124.7	-172.6	-179.1	64.1	23.3	0	0	111.4	L388 P389 Y390 G394 F396 Q886	L388-Q392 HydrophobicContact CD2-CG 4.32Å; P389-Q392 HydrophobicContact CB-CB 4.36Å; P389-Q392 PolarHBondContact O-N 2.74Å; P389-Q392 VanDerWaalsContact O-N 3.1Å; Y390-Q392 VanDerWaalsContact C-N 3.31Å; Q392-G394 WeakPolarHBondContact CG-O 3.36Å; Q392-G394 PolarHBondContact O-N 2.86Å; Q392-F396 HydrophobicContact CB-CE1 4.32Å; Q392-F396 HydrophobicContact CG-CD1 3.97Å; Q392-F396 HydrophobicContact CG-CE1 3.53Å; Q392-F396 HydrophobicContact CG-CZ 4.24Å; Q392-Q886 PolarHBondContact O-NE2 2.74Å
393	N	76.4	Confident	85.9	Confident	72 Å²	72	47 Å²	47	39%	0.385	24%	0.242	S	C	.	.			trans	-88.5	104.1	176.5	-69.2	-4.2	0	0	0	110.6	Q886	N393-Q886 PolarHBondContact OD1-NE2 3Å; N393-Q886 PolarHBondContact OD1-OE1 3.22Å
394	G	81.2	Confident	85.8	Confident	25 Å²	25	44.4 Å²	44.4	26%	0.258	23%	0.23	S	C	.	.	S	Bend	trans	72.1	-175.5	177.7	0	0	0	0	0	114.1	L388 Q392	L388-G394 WeakPolarHBondContact CD1-O 3.29Å; Q392-G394 WeakPolarHBondContact CG-O 3.36Å; Q392-G394 PolarHBondContact O-N 2.86Å
395	P	87.4	Confident	85.9	Confident	28 Å²	28	45.7 Å²	45.7	18%	0.182	24%	0.237	C	C	.	.	S	Bend	trans	-66.2	154.9	-178.3	29.1	-35.2	0	0	0	111.8	Q379 V381 R397	Q379-P395 HydrophobicContact CB-CB 4.43Å; Q379-P395 HydrophobicContact CB-CG 4.47Å; Q379-P395 HydrophobicContact CG-CG 4.44Å; V381-P395 HydrophobicContact CG1-CB 3.91Å; P395-R397 PolarHBondContact O-N 3.49Å
396	F	92.3	Very high	86	Confident	6 Å²	6	50.5 Å²	50.5	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	120	179.4	-58.4	-65.3	0	0	0	110.2	T363 Q379 C380 L388 Q392 I401 F413	T363-F396 HydrophobicContact CG2-CD2 3.91Å; T363-F396 HydrophobicContact CG2-CE2 4.01Å; Q379-F396 CarbonylContact C-O 3.49Å; Q379-F396 WeakPolarHBondContact CA-O 3.35Å; C380-F396 HydrophobicContact CB-CB 4.23Å; C380-F396 PolarHBondContact N-O 3.28Å; C380-F396 PolarHBondContact O-N 3.42Å; L388-F396 HydrophobicContact CD2-CD2 4.36Å; L388-F396 HydrophobicContact CD2-CE2 3.92Å; L388-F396 HydrophobicContact CD2-CZ 4.09Å; Q392-F396 HydrophobicContact CB-CE1 4.32Å; Q392-F396 HydrophobicContact CG-CD1 3.97Å; Q392-F396 HydrophobicContact CG-CE1 3.53Å; Q392-F396 HydrophobicContact CG-CZ 4.24Å; F396-I401 HydrophobicContact CB-CD1 4.12Å; F396-F413 HydrophobicContact CB-CD1 3.9Å; F396-F413 HydrophobicContact CD1-CB 4.38Å; F396-F413 AromaticContact CD1-CD1 3.58Å; F396-F413 HydrophobicContact CD1-CD1 3.58Å; F396-F413 HydrophobicContact CD1-CE1 4.38Å; F396-F413 HydrophobicContact CD1-CG 4.4Å; F396-F413 HydrophobicContact CE1-CD1 4.3Å; F396-F413 WeakPolarHBondContact CE2-O 3.41Å; F396-F413 HydrophobicContact CG-CB 4.34Å; F396-F413 AromaticContact CG-CD1 3.86Å; F396-F413 HydrophobicContact CG-CD1 3.86Å
397	R	91.8	Very high	86	Confident	127 Å²	127	53.4 Å²	53.4	48%	0.479	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	135.7	-178.2	-61.3	178.7	67.5	-164	0.5	110.3	P395 V399 D400 I401	P395-R397 PolarHBondContact O-N 3.49Å; R397-V399 PolarHBondContact O-N 2.68Å; R397-D400 WeakPolarHBondContact O-CB 2.9Å; R397-D400 PolarHBondContact O-N 3.19Å; R397-I401 PolarHBondContact O-N 3.4Å; R397-I401 VanDerWaalsContact O-N 3.12Å
398	G	92.1	Very high	86.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-55.2	-40.1	175.1	0	0	0	0	0	111.8	Y378 D400 I401 E402	Y378-G398 VanDerWaalsContact O-CA 3.28Å; Y378-G398 WeakPolarHBondContact O-CA 3.29Å; Y378-G398 PolarHBondContact O-N 3.09Å; G398-D400 PolarHBondContact O-N 3.4Å; G398-I401 PolarHBondContact O-N 2.72Å; G398-I401 VanDerWaalsContact O-N 3.11Å; G398-E402 WeakPolarHBondContact O-CB 2.81Å; G398-E402 WeakPolarHBondContact O-CG 3.36Å; G398-E402 PolarHBondContact O-N 2.95Å
399	V	92.6	Very high	86.2	Confident	53 Å²	53	52.9 Å²	52.9	32%	0.321	27%	0.267	S	S	.	.	H	α-helix	trans	-56.1	-38.7	175.2	-175.9	0	0	0	0	112.8	F371 G376 R397 A403	F371-V399 HydrophobicContact CE2-CG2 3.75Å; F371-V399 HydrophobicContact CZ-CG2 3.65Å; G376-V399 PolarHBondContact O-N 3.01Å; R397-V399 PolarHBondContact O-N 2.68Å; V399-A403 WeakPolarHBondContact O-CB 2.96Å; V399-A403 PolarHBondContact O-N 2.95Å
400	D	91	Very high	86.5	Confident	28 Å²	28	59.4 Å²	59.4	15%	0.15	29%	0.289	C	S	.	.	H	α-helix	trans	-74.2	-37.4	178.3	-70.4	-53.6	0	0	0	111.5	R397 G398 A404 F413 R566 R569	R397-D400 WeakPolarHBondContact O-CB 2.9Å; R397-D400 PolarHBondContact O-N 3.19Å; G398-D400 PolarHBondContact O-N 3.4Å; D400-A404 WeakPolarHBondContact O-CB 3.46Å; D400-A404 PolarHBondContact O-N 2.84Å; D400-A404 VanDerWaalsContact O-N 3.12Å; D400-F413 HydrophobicContact CB-CE1 4.42Å; D400-R566 IonicContact OD1-CZ 3.33Å; D400-R566 IonicContact OD1-NH1 3.58Å; D400-R566 PolarHBondContact OD1-NH1 3.37Å; D400-R566 IonicContact OD1-NH2 2.77Å; D400-R569 IonicContact OD1-NH1 3.29Å
401	I	91.2	Very high	87	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-67.2	-42.1	175.9	-64	168.8	0	0	0	111.3	R358 Y378 C380 F396 R397 G398 A403 A404 Y409 F413	R358-I401 HydrophobicContact CB-CG2 3.73Å; Y378-I401 HydrophobicContact CE2-CD1 4.34Å; C380-I401 HydrophobicContact CB-CD1 4.37Å; C380-I401 WeakPolarHBondContact SG-CD1 3.41Å; F396-I401 HydrophobicContact CB-CD1 4.12Å; R397-I401 PolarHBondContact O-N 3.4Å; R397-I401 VanDerWaalsContact O-N 3.12Å; G398-I401 PolarHBondContact O-N 2.72Å; G398-I401 VanDerWaalsContact O-N 3.11Å; I401-A403 VanDerWaalsContact C-N 3.28Å; I401-A403 PolarHBondContact O-N 3.18Å; I401-A404 WeakPolarHBondContact O-CB 3.37Å; I401-A404 PolarHBondContact O-N 3Å; I401-Y409 HydrophobicContact CG2-CD2 4Å; I401-Y409 HydrophobicContact CG2-CE2 3.81Å; I401-F413 HydrophobicContact CD1-CD1 4.24Å; I401-F413 HydrophobicContact CG1-CD1 3.59Å; I401-F413 HydrophobicContact CG1-CE1 3.58Å; I401-F413 HydrophobicContact CG1-CG 4.08Å; I401-F413 HydrophobicContact CG1-CZ 4.07Å
402	E	89.8	Confident	87.5	Confident	23 Å²	23	54.7 Å²	54.7	11%	0.107	28%	0.276	C	S	.	.	H	α-helix	trans	-70.3	-25.9	-179.2	-63.7	-75	141.6	0	0	112.2	F37 R358 R375 Y378 G398	F37-E402 WeakPolarHBondContact CZ-O 3.38Å; R358-E402 IonicContact CZ-OE1 3.16Å; R358-E402 IonicContact CZ-OE2 3.82Å; R358-E402 IonicContact NE-OE1 3.92Å; R358-E402 IonicContact NH1-OE1 3.55Å; R358-E402 IonicContact NH1-OE2 3.25Å; R358-E402 PolarHBondContact NH1-OE2 2.97Å; R358-E402 IonicContact NH2-OE1 3.28Å; R358-E402 IonicContact NH2-OE2 3.68Å; R358-E402 PolarHBondContact NH2-OE2 3.08Å; R375-E402 HydrophobicContact CB-CG 4.33Å; R375-E402 IonicContact CZ-OE2 2.7Å; R375-E402 IonicContact NH1-OE2 3.16Å; R375-E402 PolarHBondContact NH1-OE2 3.16Å; Y378-E402 HydrophobicContact CE1-CG 4.27Å; Y378-E402 WeakPolarHBondContact CE1-OE1 3.24Å; Y378-E402 PolarHBondContact OH-OE1 3.31Å; G398-E402 WeakPolarHBondContact O-CB 2.81Å; G398-E402 WeakPolarHBondContact O-CG 3.36Å; G398-E402 PolarHBondContact O-N 2.95Å
403	A	88.2	Confident	88	Confident	58 Å²	58	52.5 Å²	52.5	48%	0.479	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-0.3	177.5	0	0	0	0	0	114	V399 I401	V399-A403 WeakPolarHBondContact O-CB 2.96Å; V399-A403 PolarHBondContact O-N 2.95Å; I401-A403 VanDerWaalsContact C-N 3.28Å; I401-A403 PolarHBondContact O-N 3.18Å
404	A	86.7	Confident	88.7	Confident	1 Å²	1	52 Å²	52	1%	0.008	26%	0.263	C	S	.	.			trans	-70.7	155.3	-177	0	0	0	0	0	112.3	W36 F37 D400 I401 E408 F413	W36-A404 HydrophobicContact CZ2-CB 4.45Å; W36-A404 WeakPolarHBondContact CZ2-O 3.33Å; F37-A404 WeakPolarHBondContact CE2-O 3.47Å; F37-A404 WeakPolarHBondContact CZ-O 3.39Å; D400-A404 WeakPolarHBondContact O-CB 3.46Å; D400-A404 PolarHBondContact O-N 2.84Å; D400-A404 VanDerWaalsContact O-N 3.12Å; I401-A404 WeakPolarHBondContact O-CB 3.37Å; I401-A404 PolarHBondContact O-N 3Å; A404-E408 HydrophobicContact CB-CB 4.25Å; A404-E408 HydrophobicContact CB-CG 4.15Å; A404-F413 HydrophobicContact CB-CE2 3.95Å; A404-F413 HydrophobicContact CB-CZ 4.17Å
405	T	85.9	Confident	89.1	Confident	69 Å²	69	51.1 Å²	51.1	42%	0.423	25%	0.253	S	S	.	.			trans	-81.5	167.1	165.9	65	0	0	0	0	110.9	E407 E408 Y409	T405-E407 VanDerWaalsContact C-N 3.32Å; T405-E407 PolarHBondContact O-N 3.19Å; T405-E408 PolarHBondContact O-N 2.89Å; T405-E408 WeakPolarHBondContact OG1-CB 3.44Å; T405-E408 PolarHBondContact OG1-N 3.09Å; T405-Y409 PolarHBondContact O-N 2.74Å
406	E	85	Confident	89.1	Confident	111 Å²	111	52.6 Å²	52.6	52%	0.519	26%	0.259	S	S	.	.	H	α-helix	trans	-58.2	-46	178.7	-170.6	173.4	-178.8	0	0	111.4	W36 E408 Y409 R410	W36-E406 HydrophobicContact CB-CB 3.89Å; W36-E406 HydrophobicContact CB-CG 3.66Å; W36-E406 VanDerWaalsContact CD1-CB 3.47Å; W36-E406 HydrophobicContact CD2-CB 4.19Å; W36-E406 HydrophobicContact CD2-CG 4.39Å; W36-E406 HydrophobicContact CG-CB 3.59Å; W36-E406 HydrophobicContact CG-CG 3.84Å; E406-E408 PolarHBondContact O-N 3.26Å; E406-Y409 PolarHBondContact O-N 2.81Å; E406-R410 WeakPolarHBondContact O-CB 3.46Å; E406-R410 PolarHBondContact O-N 2.88Å
407	E	86.1	Confident	88.9	Confident	116 Å²	116	56.3 Å²	56.3	54%	0.542	28%	0.284	S	S	.	.	H	α-helix	trans	-62.8	-41.1	177.9	-63.4	179.4	177.6	0	0	111.7	T405 N411	T405-E407 VanDerWaalsContact C-N 3.32Å; T405-E407 PolarHBondContact O-N 3.19Å; E407-N411 WeakPolarHBondContact O-CB 3.45Å; E407-N411 PolarHBondContact O-N 3.28Å; E407-N411 VanDerWaalsContact O-N 3.13Å; E407-N411 PolarHBondContact O-ND2 3.07Å
408	E	86.3	Confident	88.4	Confident	24 Å²	24	50.7 Å²	50.7	11%	0.112	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-43.9	178.5	-176.9	176.1	-167.7	0	0	111.2	A404 T405 E406 N412 F413 R566	A404-E408 HydrophobicContact CB-CB 4.25Å; A404-E408 HydrophobicContact CB-CG 4.15Å; T405-E408 PolarHBondContact O-N 2.89Å; T405-E408 WeakPolarHBondContact OG1-CB 3.44Å; T405-E408 PolarHBondContact OG1-N 3.09Å; E406-E408 PolarHBondContact O-N 3.26Å; E408-N412 VanDerWaalsContact O-CB 3.28Å; E408-N412 WeakPolarHBondContact O-CB 3.47Å; E408-N412 PolarHBondContact O-N 3.21Å; E408-F413 HydrophobicContact CG-CE2 4.2Å; E408-R566 WeakPolarHBondContact OE1-CD 3.21Å; E408-R566 IonicContact OE1-CZ 2.68Å; E408-R566 IonicContact OE1-NE 3.72Å; E408-R566 PolarHBondContact OE1-NE 3.39Å; E408-R566 IonicContact OE2-NE 3.88Å
409	Y	88.7	Confident	87.7	Confident	49 Å²	49	54 Å²	54	19%	0.192	30%	0.297	C	S	.	.	H	α-helix	trans	-66.2	-40.6	177.8	-177.3	-102	0	0	0	112.2	W36 R358 K360 I401 T405 E406 F413	W36-Y409 AromaticContact CH2-CD1 3.84Å; W36-Y409 HydrophobicContact CH2-CD1 3.84Å; W36-Y409 AromaticContact CH2-CD2 3.88Å; W36-Y409 HydrophobicContact CH2-CD2 3.88Å; W36-Y409 AromaticContact CH2-CG 3.41Å; W36-Y409 HydrophobicContact CH2-CG 3.41Å; W36-Y409 VanDerWaalsContact CH2-CG 3.41Å; W36-Y409 HydrophobicContact CZ2-CG 4.29Å; W36-Y409 AromaticContact CZ3-CD1 3.65Å; W36-Y409 HydrophobicContact CZ3-CD1 3.65Å; W36-Y409 HydrophobicContact CZ3-CD2 4.37Å; W36-Y409 HydrophobicContact CZ3-CE1 4.19Å; W36-Y409 AromaticContact CZ3-CG 3.75Å; W36-Y409 HydrophobicContact CZ3-CG 3.75Å; R358-Y409 HydrophobicContact CB-CE2 4.26Å; R358-Y409 WeakPolarHBondContact O-CE2 3.39Å; R358-Y409 PolarHBondContact O-OH 3.1Å; K360-Y409 WeakPolarHBondContact CE-O 3.44Å; K360-Y409 HydrophobicContact CG-CE2 4.42Å; K360-Y409 PolarHBondContact NZ-O 2.99Å; I401-Y409 HydrophobicContact CG2-CD2 4Å; I401-Y409 HydrophobicContact CG2-CE2 3.81Å; T405-Y409 PolarHBondContact O-N 2.74Å; E406-Y409 PolarHBondContact O-N 2.81Å; Y409-F413 AromaticContact CD2-CD2 3.97Å; Y409-F413 HydrophobicContact CD2-CD2 3.97Å; Y409-F413 HydrophobicContact CD2-CE2 4.37Å
410	R	88.9	Confident	87	Confident	160 Å²	160	61.9 Å²	61.9	60%	0.604	32%	0.321	S	S	*	.	H	α-helix	trans	-63.5	-45.4	179.5	-168.1	172.9	-173	172.2	-5.4	111.6	K360 E406 D558	K360-R410 PolarHBondContact NZ-O 2.81Å; E406-R410 WeakPolarHBondContact O-CB 3.46Å; E406-R410 PolarHBondContact O-N 2.88Å; R410-D558 IonicContact NH2-OD2 2.65Å; R410-D558 PolarHBondContact NH2-OD2 3.25Å
411	N	88.1	Confident	86.3	Confident	85 Å²	85	64.8 Å²	64.8	46%	0.455	33%	0.33	S	S	.	.	H	α-helix	trans	-86.7	-25.4	-172.9	-65.9	-23.9	0	0	0	114.6	E407 I563	E407-N411 WeakPolarHBondContact O-CB 3.45Å; E407-N411 PolarHBondContact O-N 3.28Å; E407-N411 VanDerWaalsContact O-N 3.13Å; E407-N411 PolarHBondContact O-ND2 3.07Å; N411-I563 HydrophobicContact CB-CG2 4.34Å
412	N	88.4	Confident	85.6	Confident	49 Å²	49	68.7 Å²	68.7	26%	0.262	35%	0.348	S	S	.	.	S	Bend	trans	-112.9	-173	-176.4	-59.9	-30.1	0	0	0	112.2	K360 E408 D414	K360-N412 VanDerWaalsContact CE-O 3.26Å; K360-N412 WeakPolarHBondContact CE-O 3.5Å; K360-N412 PolarHBondContact NZ-O 2.88Å; E408-N412 VanDerWaalsContact O-CB 3.28Å; E408-N412 WeakPolarHBondContact O-CB 3.47Å; E408-N412 PolarHBondContact O-N 3.21Å; N412-D414 VanDerWaalsContact C-N 3.26Å; N412-D414 PolarHBondContact O-N 2.76Å
413	F	90.3	Very high	84.8	Confident	17 Å²	17	73.1 Å²	73.1	8%	0.075	38%	0.377	C	S	.	.	S	Bend	trans	68	10.8	176.8	-47.5	-75.4	0	0	0	116.9	K360 F396 D400 I401 A404 E408 Y409	K360-F413 HydrophobicContact CD-CB 4.41Å; F396-F413 HydrophobicContact CB-CD1 3.9Å; F396-F413 HydrophobicContact CD1-CB 4.38Å; F396-F413 AromaticContact CD1-CD1 3.58Å; F396-F413 HydrophobicContact CD1-CD1 3.58Å; F396-F413 HydrophobicContact CD1-CE1 4.38Å; F396-F413 HydrophobicContact CD1-CG 4.4Å; F396-F413 HydrophobicContact CE1-CD1 4.3Å; F396-F413 WeakPolarHBondContact CE2-O 3.41Å; F396-F413 HydrophobicContact CG-CB 4.34Å; F396-F413 AromaticContact CG-CD1 3.86Å; F396-F413 HydrophobicContact CG-CD1 3.86Å; D400-F413 HydrophobicContact CB-CE1 4.42Å; I401-F413 HydrophobicContact CD1-CD1 4.24Å; I401-F413 HydrophobicContact CG1-CD1 3.59Å; I401-F413 HydrophobicContact CG1-CE1 3.58Å; I401-F413 HydrophobicContact CG1-CG 4.08Å; I401-F413 HydrophobicContact CG1-CZ 4.07Å; A404-F413 HydrophobicContact CB-CE2 3.95Å; A404-F413 HydrophobicContact CB-CZ 4.17Å; E408-F413 HydrophobicContact CG-CE2 4.2Å; Y409-F413 AromaticContact CD2-CD2 3.97Å; Y409-F413 HydrophobicContact CD2-CD2 3.97Å; Y409-F413 HydrophobicContact CD2-CE2 4.37Å
414	D	90.8	Very high	83.6	Confident	61 Å²	61	73.1 Å²	73.1	33%	0.326	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-92.4	142.7	171.2	-80	-56.6	0	0	0	112.1	K360 T362 N412	K360-D414 HydrophobicContact CD-CB 4.46Å; K360-D414 WeakPolarHBondContact CD-OD1 3.25Å; K360-D414 VanDerWaalsContact CD-OD2 3.31Å; K360-D414 WeakPolarHBondContact CD-OD2 3.25Å; K360-D414 IonicContact NZ-OD2 3.22Å; K360-D414 PolarHBondContact NZ-OD2 2.84Å; T362-D414 WeakPolarHBondContact OG1-CA 3.34Å; T362-D414 PolarHBondContact OG1-OD1 3.39Å; N412-D414 VanDerWaalsContact C-N 3.26Å; N412-D414 PolarHBondContact O-N 2.76Å
415	C	89.8	Confident	82.4	Confident	6 Å²	6	77 Å²	77	4%	0.041	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-91.1	146.6	167.4	-64	0	0	0	0	111.1	T362 T363 C382 H386 R387	T362-C415 PolarHBondContact OG1-N 3.03Å; T363-C415 VanDerWaalsContact CG2-SG 3.58Å; C382-C415 WeakPolarHBondContact CA-SG 3.45Å; C382-C415 HydrophobicContact CB-CB 3.76Å; C382-C415 WeakPolarHBondContact CB-SG 3.45Å; C382-C415 WeakPolarHBondContact SG-CB 3.46Å; C382-C415 CovalentContact SG-SG 2.04Å; C382-C415 PolarHBondContact SG-SG 2.82Å; H386-C415 HydrophobicContact CB-CB 3.64Å; R387-C415 WeakPolarHBondContact O-CA 3.38Å; R387-C415 WeakPolarHBondContact O-CB 3.48Å
416	I	87.7	Confident	81	Confident	60 Å²	60	81.2 Å²	81.2	31%	0.308	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	136.4	-179.4	-55.6	173	0	0	0	108.6	H386 R387 P389	H386-I416 CarbonylContact C-O 3.46Å; H386-I416 VanDerWaalsContact CA-O 3.28Å; H386-I416 WeakPolarHBondContact CA-O 3.47Å; R387-I416 HydrophobicContact CG-CB 4.39Å; R387-I416 PolarHBondContact N-O 2.83Å; R387-I416 PolarHBondContact O-N 2.9Å; P389-I416 HydrophobicContact CB-CD1 4.23Å; P389-I416 HydrophobicContact CG-CD1 4.34Å; P389-I416 HydrophobicContact CG-CG1 4.4Å
417	P	87	Confident	79.3	Confident	84 Å²	84	80.9 Å²	80.9	55%	0.545	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	141.3	176.3	27	-34.9	0	0	0	112.1
418	V	82.2	Confident	77.2	Confident	9 Å²	9	80 Å²	80	6%	0.055	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-79.2	120.5	172.7	177.4	0	0	0	0	108.7	G385 R387 R421 E889	G385-V418 VanDerWaalsContact O-CB 3.3Å; G385-V418 WeakPolarHBondContact O-CB 3.28Å; G385-V418 WeakPolarHBondContact O-CG2 3.23Å; G385-V418 PolarHBondContact O-N 3.12Å; R387-V418 HydrophobicContact CB-CG2 4.2Å; R387-V418 HydrophobicContact CG-CG2 4.34Å; V418-R421 HydrophobicContact CG1-CG 4.18Å; V418-E889 HydrophobicContact CG1-CG 4.37Å; V418-E889 HydrophobicContact CG2-CB 4.27Å
419	G	78	Confident	75	Confident	68 Å²	68	81.2 Å²	81.2	70%	0.701	43%	0.428	S	S	*	.	S	Bend	trans	-62.9	-74.9	-170.6	0	0	0	0	0	115
420	W	76.6	Confident	72.6	Confident	219 Å²	219	82.6 Å²	82.6	83%	0.83	44%	0.437	S	S	*	.	S	Bend	trans	-96.6	143.6	177.7	-63.6	101.3	0	0	0	110.1	R925	W420-R925 PolarHBondContact O-NH1 2.84Å; W420-R925 PolarHBondContact O-NH2 2.7Å
421	R	77.4	Confident	70.1	Confident	89 Å²	89	81.4 Å²	81.4	34%	0.336	44%	0.436	S	S	.	.			trans	-126.7	142.4	173.3	-61.2	-175.3	-160.5	165.6	10.3	110.6	G385 V418 P891 N893	G385-R421 PolarHBondContact O-NH2 3.02Å; V418-R421 HydrophobicContact CG1-CG 4.18Å; R421-P891 CarbonylContact C-O 3.48Å; R421-P891 WeakPolarHBondContact CA-O 3.12Å; R421-N893 HydrophobicContact CB-CB 3.81Å
422	E	75	Confident	67.6	Low	85 Å²	85	82 Å²	82	40%	0.397	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-80.1	131.2	178.4	-69.6	170.6	-157	0	0	109.1	P891 L892 N893	E422-P891 PolarHBondContact N-O 3.42Å; E422-L892 HydrophobicContact CB-CD2 4.19Å; E422-L892 CarbonylContact O-C 3.46Å; E422-L892 WeakPolarHBondContact O-CA 3.46Å; E422-N893 PolarHBondContact O-N 2.96Å
423	V	74	Confident	65.2	Low	116 Å²	116	83.8 Å²	83.8	70%	0.703	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-87.7	129.6	171.5	-179.2	0	0	0	0	107.1	P425	V423-P425 WeakPolarHBondContact O-CD 3.44Å
424	I	63.5	Low	62.7	Low	58 Å²	58	87.8 Å²	87.8	30%	0.297	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-62.1	125.9	174.6	-57.9	169.6	0	0	0	107.3	E426 L892	I424-E426 PolarHBondContact O-N 3.35Å; I424-E426 VanDerWaalsContact O-N 3.1Å; I424-L892 HydrophobicContact CD1-CD1 4.06Å; I424-L892 HydrophobicContact CG1-CB 4.38Å; I424-L892 HydrophobicContact CG1-CD1 4Å; I424-L892 HydrophobicContact CG1-CD2 3.96Å; I424-L892 HydrophobicContact CG1-CG 4.33Å
425	P	60.7	Low	60.1	Low	81 Å²	81	89.7 Å²	89.7	53%	0.526	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-62.6	116.2	171	23.8	-30.5	0	0	0	108.8	V423	V423-P425 WeakPolarHBondContact O-CD 3.44Å
426	E	55.9	Low	57.5	Low	159 Å²	159	97.6 Å²	97.6	74%	0.743	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-62.1	144	167.6	-86.1	178.4	151.1	0	0	109.4	I424 T428	I424-E426 PolarHBondContact O-N 3.35Å; I424-E426 VanDerWaalsContact O-N 3.1Å; E426-T428 HydrophobicContact CB-CG2 4.06Å; E426-T428 PolarHBondContact O-N 3.3Å
427	E	50.1	Low	55	Low	104 Å²	104	101.7 Å²	101.7	49%	0.486	52%	0.522	S	S	.	.			trans	-68.8	58.5	169.5	-70.3	-175.1	175.8	0	0	111	G429	E427-G429 PolarHBondContact O-N 3.01Å; E427-G429 VanDerWaalsContact O-N 3.12Å
428	T	42.6	Very low	52.4	Low	98 Å²	98	107.6 Å²	107.6	60%	0.601	53%	0.534	S	S	*	.	H	α-helix	trans	-64.4	-12.8	171.7	50	0	0	0	0	112	E426	E426-T428 HydrophobicContact CB-CG2 4.06Å; E426-T428 PolarHBondContact O-N 3.3Å
429	G	38.9	Very low	50.1	Low	49 Å²	49	114 Å²	114	51%	0.505	56%	0.557	S	S	.	*	H	α-helix	trans	-73.9	-25.2	179.4	0	0	0	0	0	116.2	E427	E427-G429 PolarHBondContact O-N 3.01Å; E427-G429 VanDerWaalsContact O-N 3.12Å
430	M	39.1	Very low	48.3	Very low	78 Å²	78	113.4 Å²	113.4	38%	0.384	54%	0.542	S	S	.	.	H	α-helix	trans	-92.7	-27.7	-175.3	-67.9	-137	-154.4	0	0	114.4	N432 N433 L434	M430-N432 PolarHBondContact O-N 2.82Å; M430-N433 PolarHBondContact O-N 3.25Å; M430-L434 PolarHBondContact O-N 3.18Å
431	K	37.1	Very low	46.4	Very low	134 Å²	134	109.4 Å²	109.4	58%	0.583	54%	0.535	S	S	*	.	H	α-helix	trans	-56.1	-38.7	174.4	-77.1	-174.8	174.6	178.8	0	111.6	N433 E435 E536	K431-N433 VanDerWaalsContact C-N 3.34Å; K431-N433 PolarHBondContact O-N 3.37Å; K431-E435 PolarHBondContact O-N 2.8Å; K431-E536 IonicContact NZ-OE1 2.73Å; K431-E536 PolarHBondContact NZ-OE1 3.43Å
432	N	35.6	Very low	44.4	Very low	99 Å²	99	107.6 Å²	107.6	53%	0.529	54%	0.544	S	S	.	.	H	α-helix	trans	-70.1	-26.4	177.3	-70.8	-17.6	0	0	0	113.7	M430 R436	M430-N432 PolarHBondContact O-N 2.82Å; N432-R436 WeakPolarHBondContact O-CB 3.48Å; N432-R436 WeakPolarHBondContact O-CG 3.32Å; N432-R436 PolarHBondContact O-N 2.75Å
433	N	37.2	Very low	42.6	Very low	85 Å²	85	110 Å²	110	46%	0.455	56%	0.555	S	S	.	*	H	α-helix	trans	-83.7	-30.8	-178.6	-78.7	-14.5	0	0	0	113	M430 K431 R436 F437	M430-N433 PolarHBondContact O-N 3.25Å; K431-N433 VanDerWaalsContact C-N 3.34Å; K431-N433 PolarHBondContact O-N 3.37Å; N433-R436 CarbonylContact O-C 3.55Å; N433-R436 PolarHBondContact O-N 3.24Å; N433-F437 WeakPolarHBondContact O-CB 2.95Å; N433-F437 PolarHBondContact O-N 3.28Å
434	L	37.3	Very low	40.5	Very low	102 Å²	102	113.5 Å²	113.5	53%	0.534	56%	0.564	S	S	.	*	H	α-helix	trans	-70.5	-37.3	170.6	-83.5	160	0	0	0	111.8	M430 F437 R438	M430-L434 PolarHBondContact O-N 3.18Å; L434-F437 PolarHBondContact O-N 3.19Å; L434-R438 PolarHBondContact O-N 3.06Å
435	E	36.5	Very low	39	Very low	101 Å²	101	115.1 Å²	115.1	47%	0.472	59%	0.586	S	S	.	*	H	α-helix	trans	-65.5	-39.8	168.4	-73.7	-166	177.6	0	0	111.9	K431 R438 R439	K431-E435 PolarHBondContact O-N 2.8Å; E435-R438 PolarHBondContact O-N 2.82Å; E435-R439 WeakPolarHBondContact O-CB 3.44Å; E435-R439 VanDerWaalsContact O-CG 3.31Å; E435-R439 WeakPolarHBondContact O-CG 3.46Å; E435-R439 PolarHBondContact O-N 2.89Å; E435-R439 IonicContact OE2-NH2 3.37Å; E435-R439 PolarHBondContact OE2-NH2 3.36Å
436	R	35.5	Very low	37.3	Very low	172 Å²	172	115.1 Å²	115.1	65%	0.649	59%	0.588	S	S	*	*	H	α-helix	trans	-66.7	-34.5	172.6	-87	-177.1	-171.4	178.5	3.4	113.1	N432 N433 R439 S440	N432-R436 WeakPolarHBondContact O-CB 3.48Å; N432-R436 WeakPolarHBondContact O-CG 3.32Å; N432-R436 PolarHBondContact O-N 2.75Å; N433-R436 CarbonylContact O-C 3.55Å; N433-R436 PolarHBondContact O-N 3.24Å; R436-R439 CarbonylContact O-C 3.59Å; R436-R439 PolarHBondContact O-N 3.16Å; R436-S440 WeakPolarHBondContact O-CB 3.44Å; R436-S440 PolarHBondContact O-N 2.95Å; R436-S440 PolarHBondContact O-OG 3.06Å
437	F	35.6	Very low	36	Very low	146 Å²	146	113 Å²	113	64%	0.64	59%	0.586	S	S	*	*	H	α-helix	trans	-68.4	-42.6	176.6	-114.1	-85.5	0	0	0	110.5	N433 L434 R439 S440 I441	N433-F437 WeakPolarHBondContact O-CB 2.95Å; N433-F437 PolarHBondContact O-N 3.28Å; L434-F437 PolarHBondContact O-N 3.19Å; F437-R439 PolarHBondContact O-N 3.22Å; F437-S440 WeakPolarHBondContact CA-OG 3.33Å; F437-S440 PolarHBondContact O-N 2.83Å; F437-S440 PolarHBondContact O-OG 3.09Å; F437-I441 WeakPolarHBondContact O-CG1 3.38Å; F437-I441 PolarHBondContact O-N 3.04Å
438	R	31.4	Very low	35	Very low	207 Å²	207	116.5 Å²	116.5	78%	0.781	61%	0.607	S	S	*	*	H	α-helix	trans	-63.9	-37.6	171.8	-76.9	-177	178.5	149.1	1.5	112.8	L434 E435 G442	L434-R438 PolarHBondContact O-N 3.06Å; E435-R438 PolarHBondContact O-N 2.82Å; R438-G442 PolarHBondContact O-N 2.85Å
439	R	34.6	Very low	34.3	Very low	145 Å²	145	121.9 Å²	121.9	55%	0.547	62%	0.617	S	S	.	*	H	α-helix	trans	-72.5	-34.4	174.6	-73.3	-177.7	-170.5	156.7	13.8	112.8	E435 R436 F437 I441 G442 E443	E435-R439 WeakPolarHBondContact O-CB 3.44Å; E435-R439 VanDerWaalsContact O-CG 3.31Å; E435-R439 WeakPolarHBondContact O-CG 3.46Å; E435-R439 PolarHBondContact O-N 2.89Å; E435-R439 IonicContact OE2-NH2 3.37Å; E435-R439 PolarHBondContact OE2-NH2 3.36Å; R436-R439 CarbonylContact O-C 3.59Å; R436-R439 PolarHBondContact O-N 3.16Å; F437-R439 PolarHBondContact O-N 3.22Å; R439-I441 VanDerWaalsContact C-N 3.33Å; R439-I441 PolarHBondContact O-N 3.16Å; R439-G442 CarbonylContact O-C 3.59Å; R439-G442 WeakPolarHBondContact O-CA 3.49Å; R439-G442 PolarHBondContact O-N 2.82Å; R439-E443 WeakPolarHBondContact O-CB 3.49Å; R439-E443 PolarHBondContact O-N 2.91Å
440	S	40.2	Very low	33.7	Very low	54 Å²	54	127 Å²	127	38%	0.378	63%	0.632	S	S	.	*	H	α-helix	trans	-69.7	-29.8	-179.8	72	0	0	0	0	113.1	R436 F437 G442	R436-S440 WeakPolarHBondContact O-CB 3.44Å; R436-S440 PolarHBondContact O-N 2.95Å; R436-S440 PolarHBondContact O-OG 3.06Å; F437-S440 WeakPolarHBondContact CA-OG 3.33Å; F437-S440 PolarHBondContact O-N 2.83Å; F437-S440 PolarHBondContact O-OG 3.09Å; S440-G442 VanDerWaalsContact C-N 3.31Å
441	I	37.2	Very low	33	Very low	136 Å²	136	133.8 Å²	133.8	70%	0.697	65%	0.654	S	S	*	*	H	α-helix	trans	-74.3	-26.8	171.2	-62.2	168.3	0	0	0	110.5	F437 R439	F437-I441 WeakPolarHBondContact O-CG1 3.38Å; F437-I441 PolarHBondContact O-N 3.04Å; R439-I441 VanDerWaalsContact C-N 3.33Å; R439-I441 PolarHBondContact O-N 3.16Å
442	G	34.7	Very low	32.4	Very low	50 Å²	50	136.3 Å²	136.3	52%	0.515	67%	0.665	S	S	.	*	H	α-helix	trans	-87	-29.5	177.4	0	0	0	0	0	115.7	R438 R439 S440	R438-G442 PolarHBondContact O-N 2.85Å; R439-G442 CarbonylContact O-C 3.59Å; R439-G442 WeakPolarHBondContact O-CA 3.49Å; R439-G442 PolarHBondContact O-N 2.82Å; S440-G442 VanDerWaalsContact C-N 3.31Å
443	E	36.1	Very low	32	Very low	136 Å²	136	140.7 Å²	140.7	64%	0.636	68%	0.679	S	S	*	*	H	α-helix	trans	-96.7	-9.2	-169.1	-77.3	177.2	169.6	0	0	114.6	R439 A445	R439-E443 WeakPolarHBondContact O-CB 3.49Å; R439-E443 PolarHBondContact O-N 2.91Å; E443-A445 PolarHBondContact O-N 2.89Å
444	Q	30.5	Very low	31.6	Very low	189 Å²	189	143.7 Å²	143.7	88%	0.883	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-10.3	170.3	-84.4	-176.1	-20.1	0	0	113.7
445	A	31.7	Very low	31.4	Very low	93 Å²	93	144.4 Å²	144.4	77%	0.769	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-3.6	-175.4	0	0	0	0	0	115.5	E443	E443-A445 PolarHBondContact O-N 2.89Å
446	S	26.3	Very low	31	Very low	81 Å²	81	144.8 Å²	144.8	57%	0.566	72%	0.72	S	S	*	*	S	Bend	trans	-157.5	144.6	179.1	65.5	0	0	0	0	114
447	T	28.2	Very low	30.9	Very low	113 Å²	113	145 Å²	145	69%	0.693	73%	0.732	S	S	*	*			trans	93.6	46.4	167.7	77.5	0	0	0	0	118.1	W449	T447-W449 PolarHBondContact O-N 2.91Å
448	L	28	Very low	30.3	Very low	178 Å²	178	146.4 Å²	146.4	93%	0.932	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	16.6	138.8	-112.9	156.5	0	0	0	114.1
449	W	28.9	Very low	30	Very low	212 Å²	212	143.9 Å²	143.9	80%	0.803	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.7	14.6	-155	-100.1	102	0	0	0	118.3	T447	T447-W449 PolarHBondContact O-N 2.91Å
450	N	26.9	Very low	29.7	Very low	155 Å²	155	147 Å²	147	83%	0.829	76%	0.759	S	S	*	*			trans	-140	68.3	168.3	-79.9	-42	0	0	0	112.5
451	R	23.3	Very low	29	Very low	222 Å²	222	151.3 Å²	151.3	84%	0.838	78%	0.778	S	S	*	*			trans	-86.3	138.2	145.6	-158.9	-179.9	-78.8	-163.8	-3	105.2
452	F	25.4	Very low	28.4	Very low	186 Å²	186	153 Å²	153	82%	0.816	79%	0.786	S	S	*	*			trans	99.9	95.9	178.1	-60	-75.2	0	0	0	117.9
453	K	26.8	Very low	27.9	Very low	191 Å²	191	158.3 Å²	158.3	83%	0.83	80%	0.8	S	S	*	*				166.6	116.5	108.3	-96.3	-178.5	173	179.6	0	114.2
454	D	28.7	Very low	27.6	Very low	148 Å²	148	160 Å²	160	79%	0.791	81%	0.813	S	S	*	*			trans	58	145.2	133	-60.9	-22.6	0	0	0	126.1
455	P	34	Very low	27.3	Very low	118 Å²	118	156.2 Å²	156.2	77%	0.766	81%	0.807	S	S	*	*			trans	-108.3	130.7	-177.1	37.6	-22.5	0	0	0	113.5
456	S	26.5	Very low	27	Very low	109 Å²	109	157.3 Å²	157.3	76%	0.762	81%	0.805	S	S	*	*			trans	-179.3	107	155.8	52.4	0	0	0	0	110.9
457	I	33.9	Very low	27	Very low	175 Å²	175	163.3 Å²	163.3	90%	0.897	82%	0.821	S	S	*	*			trans	-149.5	89.4	140.9	-76.4	115.8	0	0	0	105.3
458	H	23.2	Very low	26.7	Very low	177 Å²	177	161.5 Å²	161.5	82%	0.819	83%	0.825	S	S	*	*			trans	-120.9	68.9	170.5	-141.6	-53.9	0	0	0	105.8
459	L	25.8	Very low	26.4	Very low	153 Å²	153	158.2 Å²	158.2	80%	0.801	82%	0.816	S	S	*	*			trans	-159.9	64.1	175.2	-148.6	94.7	0	0	0	112.2
460	F	26.9	Very low	26.1	Very low	211 Å²	211	158.2 Å²	158.2	93%	0.925	82%	0.822	S	S	*	*			trans	-154.8	58	157.2	-117.6	-80.2	0	0	0	110
461	N	25.2	Very low	25.9	Very low	144 Å²	144	159.8 Å²	159.8	77%	0.77	82%	0.822	S	S	*	*			trans	-97.8	146.6	158.7	-96.8	-18.9	0	0	0	108.5
462	M	25.2	Very low	26	Very low	173 Å²	173	158.3 Å²	158.3	85%	0.852	82%	0.824	S	S	*	*			trans	84.5	100.8	172.5	-55.4	-150.9	-116.5	0	0	115.6
463	I	25.5	Very low	25.9	Very low	161 Å²	161	156.5 Å²	156.5	83%	0.826	82%	0.823	S	S	*	*				-178	100.8	112.4	-80.9	146.1	0	0	0	106.7
464	L	29.3	Very low	25.8	Very low	171 Å²	171	154.8 Å²	154.8	90%	0.895	82%	0.822	S	S	*	*			trans	-173.9	81.2	135.2	-126.3	75.5	0	0	0	108.8
465	S	24.5	Very low	25.7	Very low	110 Å²	110	157.5 Å²	157.5	77%	0.769	83%	0.827	S	S	*	*			trans	-101.1	108.1	163.9	53.7	0	0	0	0	107.8
466	T	24.7	Very low	25.3	Very low	116 Å²	116	157.4 Å²	157.4	71%	0.712	83%	0.826	S	S	*	*			trans	177.1	102.9	149.5	42	0	0	0	0	108.1
467	F	25.6	Very low	25.3	Very low	207 Å²	207	158.3 Å²	158.3	91%	0.908	83%	0.827	S	S	*	*				166.9	111.4	129.6	-88.8	-67.1	0	0	0	110.5
468	G	23.5	Very low	24.9	Very low	75 Å²	75	155.3 Å²	155.3	77%	0.773	82%	0.819	S	S	*	*			trans	63.4	90.3	131.3	0	0	0	0	0	119.9
469	S	20.5	Very low	25	Very low	108 Å²	108	152.8 Å²	152.8	76%	0.755	82%	0.819	S	S	*	*			trans	-13.8	117.7	144.7	-153.4	0	0	0	0	117.2
470	F	23.7	Very low	24.9	Very low	213 Å²	213	154.9 Å²	154.9	93%	0.934	82%	0.821	S	S	*	*			trans	-144.8	111.7	140.2	-124.5	-91.9	0	0	0	108.7	Q472	F470-Q472 PolarHBondContact O-N 3.12Å
471	K	21	Very low	25	Very low	187 Å²	187	153 Å²	153	81%	0.813	82%	0.82	S	S	*	*			trans	-71	121.4	176.2	-76	177.6	173.2	178.9	0	109.6
472	Q	26.4	Very low	25	Very low	191 Å²	191	152 Å²	152	89%	0.893	81%	0.814	S	S	*	*			trans	-152.6	94	142.7	-115.7	170.6	-5.2	0	0	108.4	F470	F470-Q472 PolarHBondContact O-N 3.12Å
473	N	22.9	Very low	25.3	Very low	149 Å²	149	152.6 Å²	152.6	80%	0.797	82%	0.815	S	S	*	*			trans	-62.4	140.8	159.5	-69.1	-22.1	0	0	0	108.1
474	I	25.5	Very low	25.5	Very low	155 Å²	155	149.6 Å²	149.6	80%	0.795	81%	0.808	S	S	*	*			trans	156.1	76.4	140.8	-71.4	148.8	0	0	0	106.1
475	F	25.8	Very low	25.5	Very low	204 Å²	204	148.3 Å²	148.3	90%	0.895	80%	0.802	S	S	*	*			trans	-116.4	112.5	145.7	-84	-79.9	0	0	0	104.8	T477	F475-T477 PolarHBondContact O-N 2.69Å; F475-T477 VanDerWaalsContact O-N 3.16Å
476	P	25.5	Very low	25.5	Very low	117 Å²	117	149.5 Å²	149.5	76%	0.76	80%	0.799	S	S	*	*			trans	-68.8	115.1	174.4	26.5	-28.2	0	0	0	107.7
477	T	25.9	Very low	25.6	Very low	127 Å²	127	150.6 Å²	150.6	78%	0.779	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-58.8	138.5	159.3	39.1	0	0	0	0	108.5	F475	F475-T477 PolarHBondContact O-N 2.69Å; F475-T477 VanDerWaalsContact O-N 3.16Å
478	P	25.9	Very low	25.6	Very low	113 Å²	113	148.1 Å²	148.1	73%	0.734	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-61.5	145.5	-175.2	23.6	-32.1	0	0	0	111	K480	P478-K480 PolarHBondContact O-N 2.69Å
479	P	25.5	Very low	25.7	Very low	124 Å²	124	147.2 Å²	147.2	81%	0.805	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-61.2	129.5	-176.7	24.3	-31.4	0	0	0	110	L481	P479-L481 PolarHBondContact O-N 3.12Å
480	K	24.2	Very low	26	Very low	197 Å²	197	150 Å²	150	86%	0.857	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-57.6	118.8	159.6	-74.8	-177.1	174.4	-179.2	0	106.6	P478 D482	P478-K480 PolarHBondContact O-N 2.69Å; K480-D482 PolarHBondContact O-N 3.5Å; K480-D482 VanDerWaalsContact O-N 3.14Å
481	L	28.3	Very low	26.3	Very low	170 Å²	170	143.9 Å²	143.9	89%	0.89	77%	0.774	S	S	*	*			trans	-62.7	111.6	172.1	-153.1	81.7	0	0	0	106.8	P479 E483	P479-L481 PolarHBondContact O-N 3.12Å; L481-E483 PolarHBondContact O-N 2.87Å
482	D	25.1	Very low	26.5	Very low	123 Å²	123	144.2 Å²	144.2	66%	0.658	78%	0.779	S	S	*	*			trans	-61.2	122	172.5	-91.7	-31.3	0	0	0	108.9	K480 S484 L485	K480-D482 PolarHBondContact O-N 3.5Å; K480-D482 VanDerWaalsContact O-N 3.14Å; D482-S484 PolarHBondContact O-N 3.35Å; D482-L485 PolarHBondContact O-N 3.21Å
483	E	32.1	Very low	26.4	Very low	187 Å²	187	143.3 Å²	143.3	87%	0.874	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	16.7	175.1	-79.1	178.1	149	0	0	113.9	L481	L481-E483 PolarHBondContact O-N 2.87Å
484	S	30	Very low	26.5	Very low	97 Å²	97	141.8 Å²	141.8	68%	0.678	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	2.1	178.2	61	0	0	0	0	114.6	D482 L486	D482-S484 PolarHBondContact O-N 3.35Å; S484-L486 VanDerWaalsContact C-N 3.31Å
485	L	28.1	Very low	26.6	Very low	144 Å²	144	142.3 Å²	142.3	75%	0.754	77%	0.774	S	S	*	*			trans	-97.4	35.3	169	-75	165.5	0	0	0	112.9	D482 I487	D482-L485 PolarHBondContact O-N 3.21Å; L485-I487 PolarHBondContact O-N 2.82Å
486	L	25.6	Very low	26.5	Very low	135 Å²	135	141.2 Å²	141.2	71%	0.707	77%	0.768	S	S	*	*			trans	-62.8	86.2	154	-87.6	153.2	0	0	0	107.7	S484 N488	S484-L486 VanDerWaalsContact C-N 3.31Å; L486-N488 PolarHBondContact O-N 2.85Å
487	I	27.2	Very low	26.5	Very low	140 Å²	140	141.1 Å²	141.1	72%	0.718	77%	0.766	S	S	*	*			trans	-68.3	84.1	163.6	-61	177.7	0	0	0	106.3	L485 G489	L485-I487 PolarHBondContact O-N 2.82Å; I487-G489 PolarHBondContact O-N 3.48Å
488	N	25.2	Very low	26.5	Very low	154 Å²	154	140.3 Å²	140.3	82%	0.824	76%	0.761	S	S	*	*			trans	-56.1	90.8	152.8	-74	-23.5	0	0	0	106.8	L486	L486-N488 PolarHBondContact O-N 2.85Å
489	G	26	Very low	26.6	Very low	57 Å²	57	139.6 Å²	139.6	59%	0.588	75%	0.751	S	S	*	*			trans	-173.5	20.7	-173.3	0	0	0	0	0	114.8	I487	I487-G489 PolarHBondContact O-N 3.48Å
490	I	26.8	Very low	27.1	Very low	166 Å²	166	138.7 Å²	138.7	85%	0.851	74%	0.739	S	S	*	*			trans	-119.3	96.9	156.9	-60.2	178.1	0	0	0	105.9	E492	I490-E492 PolarHBondContact O-N 3.03Å
491	S	28.6	Very low	27.5	Very low	85 Å²	85	136.4 Å²	136.4	59%	0.594	74%	0.736	S	S	*	*			trans	-31.9	129.4	158.9	179.2	0	0	0	0	110	K493	S491-K493 PolarHBondContact O-N 3.36Å
492	E	26.6	Very low	27.6	Very low	194 Å²	194	133.7 Å²	133.7	91%	0.907	72%	0.722	S	S	*	*			trans	-57.3	74.4	157.9	-66.4	175.4	169.6	0	0	108.9	I490	I490-E492 PolarHBondContact O-N 3.03Å
493	K	23.9	Very low	28.1	Very low	172 Å²	172	132.3 Å²	132.3	75%	0.748	71%	0.712	S	S	*	*			trans	-99.1	110.2	151.1	-78.9	-175.3	179.2	179	0	103.4	S491 L495	S491-K493 PolarHBondContact O-N 3.36Å; K493-L495 PolarHBondContact O-N 3.36Å
494	P	25.6	Very low	27.9	Very low	116 Å²	116	128.1 Å²	128.1	75%	0.753	70%	0.701	S	S	*	*			trans	-50.1	126	174.4	19.8	-29.8	0	0	0	106.9	K496	P494-K496 PolarHBondContact O-N 2.88Å
495	L	27.2	Very low	28.2	Very low	167 Å²	167	130.8 Å²	130.8	87%	0.874	71%	0.707	S	S	*	*			trans	-47.7	112.4	166.5	-138.9	88.8	0	0	0	104	K493 T497	K493-L495 PolarHBondContact O-N 3.36Å; L495-T497 VanDerWaalsContact C-N 3.33Å; L495-T497 PolarHBondContact O-N 2.96Å
496	K	23.2	Very low	28.4	Very low	180 Å²	180	130.5 Å²	130.5	78%	0.783	71%	0.706	S	S	*	*			trans	-54.8	111.1	173.4	-82.2	-173.7	173.6	-168.9	0	104.2	P494 T498	P494-K496 PolarHBondContact O-N 2.88Å; K496-T498 PolarHBondContact O-N 3.28Å
497	T	26.4	Very low	28.9	Very low	115 Å²	115	133.5 Å²	133.5	71%	0.706	71%	0.708	S	S	*	*			trans	-51.8	100.9	149.9	42.7	0	0	0	0	103.3	L495 N499	L495-T497 VanDerWaalsContact C-N 3.33Å; L495-T497 PolarHBondContact O-N 2.96Å; T497-N499 PolarHBondContact O-N 3.07Å
498	T	26	Very low	29.5	Very low	110 Å²	110	133.4 Å²	133.4	68%	0.675	71%	0.708	S	S	*	*			trans	-61.4	91.5	162	34.7	0	0	0	0	104	K496 L500	K496-T498 PolarHBondContact O-N 3.28Å; T498-L500 PolarHBondContact O-N 3.31Å
499	N	26.6	Very low	30.5	Very low	99 Å²	99	128.7 Å²	128.7	53%	0.529	69%	0.685	S	S	.	*			trans	-49.6	134.7	157.4	-78.1	-22.9	0	0	0	105.1	T497 D501 D502	T497-N499 PolarHBondContact O-N 3.07Å; N499-D501 PolarHBondContact O-N 2.93Å; N499-D502 PolarHBondContact O-N 3.29Å
500	L	37.2	Very low	31.3	Very low	104 Å²	104	132 Å²	132	55%	0.545	70%	0.696	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.7	-16.7	-179.5	-117.9	87.4	0	0	0	112.4	T498 F526	T498-L500 PolarHBondContact O-N 3.31Å; L500-F526 HydrophobicContact CD2-CE2 4.48Å
501	D	32.2	Very low	32.6	Very low	150 Å²	150	127.5 Å²	127.5	80%	0.802	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-9.6	-179.8	-54.8	-39.7	0	0	0	115	N499	N499-D501 PolarHBondContact O-N 2.93Å
502	D	30.2	Very low	34	Very low	113 Å²	113	125.7 Å²	125.7	60%	0.604	67%	0.671	S	S	*	*			trans	-99.1	17.3	-173.6	-88.7	-15	0	0	0	114.7	N499	N499-D502 PolarHBondContact O-N 3.29Å
503	Q	34.5	Very low	35.9	Very low	93 Å²	93	125.1 Å²	125.1	44%	0.435	66%	0.661	S	S	.	*	S	Bend	trans	-77.4	126.6	172.9	-85.5	-179.1	-15.8	0	0	111.5	L505 F590	Q503-L505 PolarHBondContact O-N 2.93Å; Q503-F590 VanDerWaalsContact NE2-CE2 3.31Å
504	P	29.2	Very low	38.5	Very low	100 Å²	100	118.9 Å²	118.9	65%	0.649	64%	0.639	S	S	*	*			trans	-69	118	-177.9	26.1	-31.6	0	0	0	111.1	D506	P504-D506 PolarHBondContact O-N 3.22Å
505	L	36.3	Very low	41.1	Very low	153 Å²	153	113.4 Å²	113.4	80%	0.801	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	2.6	-175.3	-159	68.9	0	0	0	115.2	Q503	Q503-L505 PolarHBondContact O-N 2.93Å
506	D	31.1	Very low	43.7	Very low	138 Å²	138	109.3 Å²	109.3	74%	0.738	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.5	29.4	-161	-126.4	2.8	0	0	0	116.2	P504	P504-D506 PolarHBondContact O-N 3.22Å
507	R	37.5	Very low	46.5	Very low	198 Å²	198	104.1 Å²	104.1	75%	0.747	57%	0.567	S	S	*	*			trans	-95.4	78.3	159.6	-77.2	-175.3	177.6	166.5	1	110	V509	R507-V509 VanDerWaalsContact C-N 3.32Å; R507-V509 PolarHBondContact O-N 3.15Å
508	L	39.1	Very low	49.5	Very low	138 Å²	138	99 Å²	99	72%	0.723	54%	0.535	S	S	*	.			trans	-64.8	92.4	168.2	-86.2	124.3	0	0	0	109.9	P510	L508-P510 WeakPolarHBondContact O-CD 3.45Å
509	V	45.5	Very low	52.3	Low	54 Å²	54	95.8 Å²	95.8	33%	0.327	51%	0.513	S	S	.	.			trans	-61.9	125.8	162.1	179.5	0	0	0	0	107.2	R507 G511 Y512	R507-V509 VanDerWaalsContact C-N 3.32Å; R507-V509 PolarHBondContact O-N 3.15Å; V509-G511 PolarHBondContact O-N 3.3Å; V509-Y512 WeakPolarHBondContact O-CB 3.48Å; V509-Y512 PolarHBondContact O-N 3.04Å; V509-Y512 VanDerWaalsContact O-N 3.11Å
510	P	44.5	Very low	54.9	Low	126 Å²	126	95.2 Å²	95.2	82%	0.818	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	128	178.8	-25.9	34	0	0	0	111.6	L508	L508-P510 WeakPolarHBondContact O-CD 3.45Å
511	G	53.1	Low	56.9	Low	72 Å²	72	91.4 Å²	91.4	74%	0.742	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	14.1	-179.5	0	0	0	0	0	115.5	V509	V509-G511 PolarHBondContact O-N 3.3Å
512	Y	58.4	Low	59.1	Low	48 Å²	48	89 Å²	89	19%	0.188	48%	0.479	C	S	.	.			trans	-99.5	129.6	172.8	179.5	-106.6	0	0	0	111.2	V509 R588 E591	V509-Y512 WeakPolarHBondContact O-CB 3.48Å; V509-Y512 PolarHBondContact O-N 3.04Å; V509-Y512 VanDerWaalsContact O-N 3.11Å; Y512-R588 HydrophobicContact CD2-CG 4.11Å; Y512-R588 HydrophobicContact CE2-CG 3.91Å; Y512-E591 WeakPolarHBondContact OH-CB 3.19Å; Y512-E591 VanDerWaalsContact OH-CD 3.28Å; Y512-E591 WeakPolarHBondContact OH-CG 3.41Å; Y512-E591 PolarHBondContact OH-OE2 2.79Å
513	R	67.1	Low	61	Low	182 Å²	182	91.7 Å²	91.7	69%	0.687	49%	0.488	S	S	*	.			trans	-107	104.9	172.9	-162.4	174.8	-169.7	-177.8	-0.2	108.5
514	S	76.8	Confident	62.8	Low	41 Å²	41	89.8 Å²	89.8	29%	0.287	49%	0.485	S	S	.	.			trans	-60.3	143	175.1	172.8	0	0	0	0	110.6	S516 E591	S514-S516 VanDerWaalsContact C-N 3.32Å; S514-S516 PolarHBondContact OG-N 2.98Å; S514-E591 PolarHBondContact OG-OE1 2.79Å
515	V	81.9	Confident	64.9	Low	1 Å²	1	87.3 Å²	87.3	1%	0.006	47%	0.466	C	S	.	.			trans	-105.2	39.1	-175.7	-171.8	0	0	0	0	109.3	H517 L518 E591 P618 F853	V515-H517 PolarHBondContact O-N 3.12Å; V515-L518 HydrophobicContact CG1-CB 4Å; V515-L518 HydrophobicContact CG1-CD1 3.05Å; V515-L518 HydrophobicContact CG1-CD2 4.41Å; V515-L518 HydrophobicContact CG1-CG 3.23Å; V515-L518 PolarHBondContact O-N 2.85Å; V515-E591 WeakPolarHBondContact CA-OE2 3.35Å; V515-E591 WeakPolarHBondContact CB-OE2 3.23Å; V515-E591 PolarHBondContact N-OE2 3.32Å; V515-P618 HydrophobicContact CG2-CG 4.41Å; V515-F853 HydrophobicContact CG2-CE2 3.48Å; V515-F853 VanDerWaalsContact CG2-CE2 3.48Å; V515-F853 HydrophobicContact CG2-CZ 3.56Å
516	S	80.2	Confident	66.6	Low	80 Å²	80	81.9 Å²	81.9	56%	0.559	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.4	-178	56.7	0	0	0	0	114.9	S514 L518	S514-S516 VanDerWaalsContact C-N 3.32Å; S514-S516 PolarHBondContact OG-N 2.98Å; S516-L518 VanDerWaalsContact C-N 3.32Å
517	H	83.7	Confident	67.6	Low	72 Å²	72	80.3 Å²	80.3	33%	0.333	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-17.5	175.2	58.9	-78	0	0	0	112.9	V515 Q614	V515-H517 PolarHBondContact O-N 3.12Å; H517-Q614 VanDerWaalsContact O-CG 3.25Å; H517-Q614 WeakPolarHBondContact O-CG 3.46Å; H517-Q614 PolarHBondContact O-NE2 2.77Å
518	L	88.2	Confident	68.1	Low	7 Å²	7	73.7 Å²	73.7	4%	0.037	41%	0.407	C	S	.	.	S	Bend	trans	-77.2	168.4	175.1	-60.5	-168	0	0	0	111.3	V515 S516 H598 Q614 L617	V515-L518 HydrophobicContact CG1-CB 4Å; V515-L518 HydrophobicContact CG1-CD1 3.05Å; V515-L518 HydrophobicContact CG1-CD2 4.41Å; V515-L518 HydrophobicContact CG1-CG 3.23Å; V515-L518 PolarHBondContact O-N 2.85Å; S516-L518 VanDerWaalsContact C-N 3.32Å; L518-H598 HydrophobicContact CB-CB 4.29Å; L518-H598 HydrophobicContact CD1-CB 3.99Å; L518-Q614 HydrophobicContact CD2-CB 4.32Å; L518-Q614 HydrophobicContact CD2-CG 4.24Å; L518-L617 HydrophobicContact CD1-CD2 4Å
519	L	84.3	Confident	67.9	Low	43 Å²	43	72.9 Å²	72.9	23%	0.225	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-56.2	142.4	178.5	-67.5	171.1	0	0	0	111	R594 H598 K601 M610	L519-R594 VanDerWaalsContact O-CG 3.32Å; L519-R594 WeakPolarHBondContact O-CG 3.46Å; L519-H598 PolarHBondContact N-ND1 3.26Å; L519-K601 HydrophobicContact CD1-CB 4.02Å; L519-K601 HydrophobicContact CD1-CD 4.01Å; L519-M610 HydrophobicContact CD1-CE 3.76Å; L519-M610 HydrophobicContact CD1-SD 4.26Å; L519-M610 HydrophobicContact CD2-SD 4.47Å; L519-M610 HydrophobicContact CG-SD 4.45Å
520	P	81.7	Confident	67.8	Low	86 Å²	86	76.9 Å²	76.9	56%	0.558	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-62.5	149.8	176.6	27.4	-33.9	0	0	0	110.6	K601	P520-K601 PolarHBondContact O-NZ 3.41Å
521	L	79	Confident	67.2	Low	24 Å²	24	75.3 Å²	75.3	13%	0.126	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-79.8	122.2	175.8	-174.4	62.6	0	0	0	108.4	D525 F526 Q593 R594 A597	L521-D525 HydrophobicContact CD1-CB 3.68Å; L521-F526 HydrophobicContact CD1-CE2 4.23Å; L521-F526 HydrophobicContact CD1-CZ 4.45Å; L521-F526 HydrophobicContact CD2-CE1 4.4Å; L521-F526 HydrophobicContact CD2-CE2 3.47Å; L521-F526 VanDerWaalsContact CD2-CE2 3.47Å; L521-F526 HydrophobicContact CD2-CZ 3.34Å; L521-F526 HydrophobicContact CG-CE2 3.68Å; L521-F526 HydrophobicContact CG-CZ 4.04Å; L521-Q593 HydrophobicContact CD2-CB 4.02Å; L521-R594 HydrophobicContact CB-CB 4.25Å; L521-R594 HydrophobicContact CB-CG 4.35Å; L521-A597 HydrophobicContact CD1-CB 3.69Å
522	E	79.5	Confident	66.4	Low	99 Å²	99	77.5 Å²	77.5	46%	0.463	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-99.2	159.2	179.5	-70.5	165.6	-132.5	0	0	110.6	S524 D525 K601	E522-S524 WeakPolarHBondContact CB-OG 3.3Å; E522-S524 PolarHBondContact O-N 2.92Å; E522-S524 PolarHBondContact OE2-OG 2.89Å; E522-D525 PolarHBondContact N-OD2 3.02Å; E522-D525 WeakPolarHBondContact O-CB 3.42Å; E522-D525 PolarHBondContact O-N 3.35Å; E522-D525 VanDerWaalsContact O-N 3.12Å; E522-K601 VanDerWaalsContact CD-NZ 3.33Å; E522-K601 IonicContact OE1-NZ 3.5Å; E522-K601 PolarHBondContact OE1-NZ 3.07Å
523	Q	70.5	Confident	65	Low	170 Å²	170	81.3 Å²	81.3	79%	0.794	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-63.7	-27.3	176.5	-165.6	170.2	18.5	0	0	112.6	D525 F526	Q523-D525 VanDerWaalsContact C-N 3.29Å; Q523-D525 PolarHBondContact O-N 3.37Å; Q523-F526 PolarHBondContact O-N 3.14Å
524	S	72.3	Confident	63.3	Low	54 Å²	54	76.1 Å²	76.1	38%	0.378	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-65.6	-27.5	174.7	53.3	0	0	0	0	113.3	E522 F526 N527	E522-S524 WeakPolarHBondContact CB-OG 3.3Å; E522-S524 PolarHBondContact O-N 2.92Å; E522-S524 PolarHBondContact OE2-OG 2.89Å; S524-F526 PolarHBondContact O-N 3.28Å; S524-N527 WeakPolarHBondContact O-CB 3.49Å; S524-N527 PolarHBondContact O-N 3.4Å; S524-N527 PolarHBondContact O-ND2 3.31Å
525	D	73.3	Confident	61.3	Low	47 Å²	47	80.2 Å²	80.2	25%	0.251	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-69.8	-23.4	179.3	-63.9	-41.6	0	0	0	112.1	L521 E522 Q523 A597 K601	L521-D525 HydrophobicContact CD1-CB 3.68Å; E522-D525 PolarHBondContact N-OD2 3.02Å; E522-D525 WeakPolarHBondContact O-CB 3.42Å; E522-D525 PolarHBondContact O-N 3.35Å; E522-D525 VanDerWaalsContact O-N 3.12Å; Q523-D525 VanDerWaalsContact C-N 3.29Å; Q523-D525 PolarHBondContact O-N 3.37Å; D525-A597 HydrophobicContact CB-CB 3.87Å; D525-K601 WeakPolarHBondContact OD1-CE 3.49Å; D525-K601 IonicContact OD1-NZ 3.51Å; D525-K601 PolarHBondContact OD1-NZ 2.83Å; D525-K601 WeakPolarHBondContact OD2-CE 3.4Å; D525-K601 IonicContact OD2-NZ 3.56Å; D525-K601 PolarHBondContact OD2-NZ 3.08Å
526	F	70.3	Confident	58.8	Low	39 Å²	39	85.9 Å²	85.9	17%	0.171	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-88.6	2.5	172.6	-67.2	-75.3	0	0	0	113.4	L500 L521 Q523 S524 L528 F590 Q593 Q909	L500-F526 HydrophobicContact CD2-CE2 4.48Å; L521-F526 HydrophobicContact CD1-CE2 4.23Å; L521-F526 HydrophobicContact CD1-CZ 4.45Å; L521-F526 HydrophobicContact CD2-CE1 4.4Å; L521-F526 HydrophobicContact CD2-CE2 3.47Å; L521-F526 VanDerWaalsContact CD2-CE2 3.47Å; L521-F526 HydrophobicContact CD2-CZ 3.34Å; L521-F526 HydrophobicContact CG-CE2 3.68Å; L521-F526 HydrophobicContact CG-CZ 4.04Å; Q523-F526 PolarHBondContact O-N 3.14Å; S524-F526 PolarHBondContact O-N 3.28Å; F526-L528 PolarHBondContact O-N 2.99Å; F526-F590 HydrophobicContact CZ-CD1 4.31Å; F526-F590 HydrophobicContact CZ-CE1 4.43Å; F526-Q593 HydrophobicContact CE1-CB 4.26Å; F526-Q593 HydrophobicContact CE1-CG 4.2Å; F526-Q593 HydrophobicContact CZ-CB 4.42Å; F526-Q909 HydrophobicContact CD1-CG 4.46Å
527	N	53.1	Low	56.3	Low	105 Å²	105	88.4 Å²	88.4	56%	0.561	45%	0.453	S	S	*	.			trans	-45.5	104.5	-171.3	-92.2	-11.4	0	0	0	110.6	S524 T529	S524-N527 WeakPolarHBondContact O-CB 3.49Å; S524-N527 PolarHBondContact O-N 3.4Å; S524-N527 PolarHBondContact O-ND2 3.31Å; N527-T529 PolarHBondContact O-N 3.24Å; N527-T529 PolarHBondContact O-OG1 3.11Å
528	L	48.4	Very low	53.7	Low	59 Å²	59	88 Å²	88	31%	0.309	47%	0.468	S	S	.	.			trans	-71.9	32.8	178.7	-80.8	137.9	0	0	0	110.6	F526 Y530 R906 L910	F526-L528 PolarHBondContact O-N 2.99Å; L528-Y530 PolarHBondContact O-N 3.15Å; L528-R906 HydrophobicContact CD2-CG 4Å; L528-L910 HydrophobicContact CD1-CD2 4.18Å; L528-L910 HydrophobicContact CD2-CD2 4.19Å; L528-L910 HydrophobicContact CD2-CG 4.44Å
529	T	35.2	Very low	50.7	Low	122 Å²	122	95.4 Å²	95.4	75%	0.748	50%	0.5	S	S	*	.			trans	-73.1	64.7	171.7	45	0	0	0	0	109.2	N527	N527-T529 PolarHBondContact O-N 3.24Å; N527-T529 PolarHBondContact O-OG1 3.11Å
530	Y	42.3	Very low	48	Very low	138 Å²	138	102.4 Å²	102.4	54%	0.541	53%	0.529	S	S	.	.			trans	-86.8	128.7	145.3	-82	-98.9	0	0	0	105.7	L528 E532 E902	L528-Y530 PolarHBondContact O-N 3.15Å; Y530-E532 PolarHBondContact O-N 2.69Å; Y530-E902 VanDerWaalsContact CZ-OE1 3.3Å; Y530-E902 PolarHBondContact OH-OE1 3.35Å
531	T	32.2	Very low	45.4	Very low	92 Å²	92	103.4 Å²	103.4	56%	0.564	53%	0.53	S	S	*	.			trans	-49.7	124.9	164.7	44.7	0	0	0	0	107.9	D533 V534	T531-D533 PolarHBondContact O-N 3.12Å; T531-V534 PolarHBondContact O-N 2.89Å
532	E	35.3	Very low	42.9	Very low	118 Å²	118	109 Å²	109	55%	0.551	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-53.7	-16.5	172.5	-72.6	174.7	166.3	0	0	111.7	Y530 V534	Y530-E532 PolarHBondContact O-N 2.69Å; E532-V534 VanDerWaalsContact C-N 3.28Å; E532-V534 PolarHBondContact O-N 2.7Å
533	D	29.6	Very low	40.4	Very low	128 Å²	128	106.6 Å²	106.6	68%	0.684	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-75.8	11.5	-179.4	-55.1	-29.3	0	0	0	116.1	T531	T531-D533 PolarHBondContact O-N 3.12Å
534	V	30.8	Very low	38.1	Very low	73 Å²	73	103.6 Å²	103.6	44%	0.442	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-111.6	2.7	176.7	-169.9	0	0	0	0	113.6	T531 E532	T531-V534 PolarHBondContact O-N 2.89Å; E532-V534 VanDerWaalsContact C-N 3.28Å; E532-V534 PolarHBondContact O-N 2.7Å
535	Y	35.6	Very low	36	Very low	127 Å²	127	108.5 Å²	108.5	50%	0.498	56%	0.555	S	S	.	*	S	Bend	trans	-91.8	-7.6	162.2	-79.9	-85.8	0	0	0	113.4	D537 R906	Y535-D537 PolarHBondContact O-N 2.81Å; Y535-R906 VanDerWaalsContact CZ-NH1 3.27Å; Y535-R906 PolarHBondContact OH-NH1 3.26Å
536	E	28.6	Very low	33.6	Very low	121 Å²	121	113 Å²	113	57%	0.565	58%	0.578	S	S	*	*	S	Bend	trans	-84.5	104.4	155	-73	-171.6	172.8	0	0	106.5	K431	K431-E536 IonicContact NZ-OE1 2.73Å; K431-E536 PolarHBondContact NZ-OE1 3.43Å
537	D	28.9	Very low	31.4	Very low	133 Å²	133	117 Å²	117	71%	0.711	60%	0.6	S	S	*	*	S	Bend	trans	58.6	90.5	177.8	-58.8	-33.1	0	0	0	113.8	Y535 F539	Y535-D537 PolarHBondContact O-N 2.81Å; D537-F539 PolarHBondContact O-N 3.08Å
538	G	28.4	Very low	30.1	Very low	63 Å²	63	118.7 Å²	118.7	65%	0.649	61%	0.608	S	S	*	*	S	Bend	trans	-46.9	116	165.1	0	0	0	0	0	108.7
539	F	26.4	Very low	28.9	Very low	162 Å²	162	122 Å²	122	71%	0.711	63%	0.626	S	S	*	*	S	Bend	trans	37	103.5	168.2	-162.5	-97.9	0	0	0	113.3	D537 D541	D537-F539 PolarHBondContact O-N 3.08Å; F539-D541 VanDerWaalsContact C-N 3.28Å; F539-D541 HydrophobicContact CD1-CB 3.98Å; F539-D541 HydrophobicContact CE1-CB 4Å; F539-D541 WeakPolarHBondContact CE1-OD2 3.43Å; F539-D541 PolarHBondContact O-N 3.35Å
540	F	25.9	Very low	28.4	Very low	191 Å²	191	124.8 Å²	124.8	84%	0.838	63%	0.627	S	S	*	*			trans	-44.6	101.1	158.1	-89.9	-89.6	0	0	0	108.9
541	D	27.3	Very low	27.6	Very low	107 Å²	107	124 Å²	124	57%	0.572	64%	0.639	S	S	*	*			trans	-145	140.5	142.9	-108.4	-23.9	0	0	0	109.3	F539 D543	F539-D541 VanDerWaalsContact C-N 3.28Å; F539-D541 HydrophobicContact CD1-CB 3.98Å; F539-D541 HydrophobicContact CE1-CB 4Å; F539-D541 WeakPolarHBondContact CE1-OD2 3.43Å; F539-D541 PolarHBondContact O-N 3.35Å; D541-D543 PolarHBondContact O-N 2.95Å
542	N	27.4	Very low	27.4	Very low	141 Å²	141	124 Å²	124	75%	0.754	64%	0.643	S	S	*	*			trans	-60.4	40.7	-173	-75	-56.2	0	0	0	115.1	T544	N542-T544 PolarHBondContact O-N 3.18Å
543	D	26.7	Very low	26.9	Very low	49 Å²	49	126 Å²	126	26%	0.262	66%	0.658	S	S	.	*			trans	-88.5	51	178.4	-64.6	7.1	0	0	0	110.2	L346 D541 Y545	L346-D543 HydrophobicContact CB-CB 4.43Å; L346-D543 WeakPolarHBondContact CB-OD1 3.19Å; L346-D543 WeakPolarHBondContact CD1-OD1 3.39Å; L346-D543 WeakPolarHBondContact CD2-OD1 3.45Å; L346-D543 WeakPolarHBondContact CD2-OD2 3.02Å; L346-D543 WeakPolarHBondContact CG-OD1 3.07Å; D541-D543 PolarHBondContact O-N 2.95Å; D543-Y545 HydrophobicContact CB-CE2 4.22Å; D543-Y545 WeakPolarHBondContact O-CD2 3.09Å; D543-Y545 PolarHBondContact O-N 2.83Å
544	T	22.5	Very low	26.8	Very low	107 Å²	107	125.8 Å²	125.8	66%	0.656	66%	0.655	S	S	*	*			trans	-69.6	89.2	160	45.6	0	0	0	0	107.1	N542 I546	N542-T544 PolarHBondContact O-N 3.18Å; T544-I546 VanDerWaalsContact C-N 3.28Å; T544-I546 PolarHBondContact O-N 3.46Å
545	Y	27.6	Very low	26.7	Very low	156 Å²	156	130 Å²	130	61%	0.612	68%	0.675	S	S	*	*			trans	-56.9	102.6	157.5	-59.1	-79.8	0	0	0	106.2	D543 L547	D543-Y545 HydrophobicContact CB-CE2 4.22Å; D543-Y545 WeakPolarHBondContact O-CD2 3.09Å; D543-Y545 PolarHBondContact O-N 2.83Å; Y545-L547 VanDerWaalsContact C-N 3.26Å; Y545-L547 PolarHBondContact O-N 2.98Å
546	I	23.2	Very low	26.5	Very low	143 Å²	143	127.9 Å²	127.9	73%	0.733	68%	0.679	S	S	*	*			trans	-66.8	95.3	172.2	-59	175.4	0	0	0	106	T544 I548	T544-I546 VanDerWaalsContact C-N 3.28Å; T544-I546 PolarHBondContact O-N 3.46Å; I546-I548 VanDerWaalsContact C-N 3.29Å; I546-I548 HydrophobicContact CG2-CG1 3.88Å; I546-I548 PolarHBondContact O-N 2.93Å
547	L	24.5	Very low	26.5	Very low	123 Å²	123	132 Å²	132	64%	0.644	70%	0.695	S	S	*	*			trans	-63.7	96.1	157.9	-82	156.3	0	0	0	106.4	Y545 N549	Y545-L547 VanDerWaalsContact C-N 3.26Å; Y545-L547 PolarHBondContact O-N 2.98Å; L547-N549 PolarHBondContact O-N 3.13Å
548	I	25	Very low	26.6	Very low	139 Å²	139	131.3 Å²	131.3	71%	0.713	69%	0.691	S	S	*	*			trans	-70.4	76.9	159.1	-54	177.9	0	0	0	106	I546 K550	I546-I548 VanDerWaalsContact C-N 3.29Å; I546-I548 HydrophobicContact CG2-CG1 3.88Å; I546-I548 PolarHBondContact O-N 2.93Å; I548-K550 PolarHBondContact O-N 2.94Å
549	N	24.6	Very low	26.7	Very low	128 Å²	128	136.4 Å²	136.4	68%	0.684	70%	0.698	S	S	*	*			trans	-73.1	80.3	163.8	-73.4	-11.5	0	0	0	106.8	L547 P551	L547-N549 PolarHBondContact O-N 3.13Å; N549-P551 WeakPolarHBondContact O-CD 3.45Å
550	K	24	Very low	27.1	Very low	181 Å²	181	134.6 Å²	134.6	79%	0.787	71%	0.705	S	S	*	*			trans	-79.9	117	151.2	-98.3	-173.5	177.9	179.3	0	106.3	I548 S552	I548-K550 PolarHBondContact O-N 2.94Å; K550-S552 PolarHBondContact O-N 2.9Å
551	P	24.8	Very low	27.5	Very low	122 Å²	122	131.9 Å²	131.9	79%	0.792	70%	0.7	S	S	*	*			trans	-64.6	108.1	173.1	26	-30.6	0	0	0	107.7	N549 N553	N549-P551 WeakPolarHBondContact O-CD 3.45Å; P551-N553 PolarHBondContact O-N 3.5Å
552	S	27.4	Very low	28.1	Very low	92 Å²	92	134.7 Å²	134.7	64%	0.643	72%	0.715	S	S	*	*			trans	-76.8	102.5	163.4	57.7	0	0	0	0	107.1	K550 I554	K550-S552 PolarHBondContact O-N 2.9Å; S552-I554 PolarHBondContact O-N 3.18Å
553	N	26	Very low	28.7	Very low	160 Å²	160	132.5 Å²	132.5	86%	0.856	70%	0.702	S	S	*	*			trans	-58	95.2	155.8	-101.2	-14.4	0	0	0	106.8	P551	P551-N553 PolarHBondContact O-N 3.5Å
554	I	27.5	Very low	29.3	Very low	124 Å²	124	138.1 Å²	138.1	64%	0.636	72%	0.724	S	S	*	*			trans	-107.4	90.4	167.6	-61.3	176	0	0	0	105.5	S552 S556	S552-I554 PolarHBondContact O-N 3.18Å; I554-S556 PolarHBondContact O-N 3.08Å
555	D	27.9	Very low	30.4	Very low	162 Å²	162	139.4 Å²	139.4	87%	0.866	72%	0.721	S	S	*	*			trans	-65	102.7	153.9	-80.1	-36.2	0	0	0	107
556	S	32.9	Very low	31	Very low	81 Å²	81	136.7 Å²	136.7	57%	0.566	71%	0.709	S	S	*	*			trans	-116.9	86.9	165.8	60.7	0	0	0	0	109.2	I554 D558	I554-S556 PolarHBondContact O-N 3.08Å; S556-D558 PolarHBondContact O-N 2.93Å; S556-D558 VanDerWaalsContact O-N 3.12Å
557	K	27.2	Very low	32.1	Very low	209 Å²	209	136.1 Å²	136.1	91%	0.909	71%	0.712	S	S	*	*			trans	-66.8	84.7	144.1	-77.9	-179.3	176.6	176.1	0	106.8
558	D	32.1	Very low	32.8	Very low	118 Å²	118	139.2 Å²	139.2	63%	0.631	72%	0.715	S	S	*	*			trans	-107.9	119.2	167.8	-89.8	-22.5	0	0	0	109.6	R410 S556	R410-D558 IonicContact NH2-OD2 2.65Å; R410-D558 PolarHBondContact NH2-OD2 3.25Å; S556-D558 PolarHBondContact O-N 2.93Å; S556-D558 VanDerWaalsContact O-N 3.12Å
559	Q	30.5	Very low	33.7	Very low	170 Å²	170	140.7 Å²	140.7	79%	0.794	71%	0.712	S	S	*	*			trans	-61.2	151.2	-177.3	-68.7	166	-12.2	0	0	110.9	N561	Q559-N561 VanDerWaalsContact C-N 3.34Å; Q559-N561 PolarHBondContact O-N 3.1Å
560	S	33.9	Very low	34.1	Very low	123 Å²	123	141.5 Å²	141.5	86%	0.86	72%	0.716	S	S	*	*			trans	-58.3	87.3	175.7	56	0	0	0	0	111.7
561	N	34.4	Very low	35	Very low	135 Å²	135	137.3 Å²	137.3	72%	0.722	71%	0.705	S	S	*	*			trans	-93.5	130.6	160.8	-74.3	-18.9	0	0	0	107.7	Q559 I563	Q559-N561 VanDerWaalsContact C-N 3.34Å; Q559-N561 PolarHBondContact O-N 3.1Å; N561-I563 PolarHBondContact O-N 2.81Å
562	D	39.9	Very low	35.4	Very low	166 Å²	166	138.6 Å²	138.6	89%	0.888	71%	0.706	S	S	*	*			trans	-43.5	105	173.8	-97.9	-32	0	0	0	109.9	K564	D562-K564 PolarHBondContact O-N 3.12Å
563	I	40.5	Very low	36	Very low	95 Å²	95	137.2 Å²	137.2	49%	0.487	69%	0.693	S	S	.	*			trans	-68.9	100.2	-178	-55.7	174.4	0	0	0	106.3	N411 N561 K565	N411-I563 HydrophobicContact CB-CG2 4.34Å; N561-I563 PolarHBondContact O-N 2.81Å; I563-K565 HydrophobicContact CB-CG 4.33Å; I563-K565 HydrophobicContact CG2-CG 3.59Å; I563-K565 PolarHBondContact O-N 3.14Å
564	K	39.6	Very low	36.6	Very low	167 Å²	167	134.7 Å²	134.7	73%	0.726	69%	0.686	S	S	*	*			trans	-63.8	87.1	165.2	-71.8	-179	-177.7	169	0	108.3	D562	D562-K564 PolarHBondContact O-N 3.12Å
565	K	45.4	Very low	37	Very low	134 Å²	134	136.5 Å²	136.5	58%	0.583	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-76.2	139	174.3	-68.6	-173.9	178.5	-177.5	0	109.4	I563 V567	I563-K565 HydrophobicContact CB-CG 4.33Å; I563-K565 HydrophobicContact CG2-CG 3.59Å; I563-K565 PolarHBondContact O-N 3.14Å; K565-V567 PolarHBondContact O-N 3.12Å
566	R	40.4	Very low	37.6	Very low	98 Å²	98	133.4 Å²	133.4	37%	0.37	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-60.1	131.1	172.2	-158.3	-169.7	-136.3	-169.2	1.2	109.2	D400 E408 R568	D400-R566 IonicContact OD1-CZ 3.33Å; D400-R566 IonicContact OD1-NH1 3.58Å; D400-R566 PolarHBondContact OD1-NH1 3.37Å; D400-R566 IonicContact OD1-NH2 2.77Å; E408-R566 WeakPolarHBondContact OE1-CD 3.21Å; E408-R566 IonicContact OE1-CZ 2.68Å; E408-R566 IonicContact OE1-NE 3.72Å; E408-R566 PolarHBondContact OE1-NE 3.39Å; E408-R566 IonicContact OE2-NE 3.88Å; R566-R568 PolarHBondContact O-N 3.48Å
567	V	46.1	Very low	37.9	Very low	132 Å²	132	135.4 Å²	135.4	80%	0.8	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-64.2	133.2	170.1	178.1	0	0	0	0	108.5	K565 R569	K565-V567 PolarHBondContact O-N 3.12Å; V567-R569 PolarHBondContact O-N 2.74Å
568	R	39	Very low	38.7	Very low	188 Å²	188	127 Å²	127	71%	0.709	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-47.8	127.6	-179.9	-70.7	-179.7	177.6	174	0.1	110.8	R566 N570	R566-R568 PolarHBondContact O-N 3.48Å; R568-N570 PolarHBondContact O-N 3.07Å
569	R	42.8	Very low	39.2	Very low	170 Å²	170	123.2 Å²	123.2	64%	0.642	63%	0.63	S	S	*	*			trans	-77.1	110.4	148.5	-72.9	-178.3	177.5	162.3	-2.5	105.6	D400 V567 V571	D400-R569 IonicContact OD1-NH1 3.29Å; V567-R569 PolarHBondContact O-N 2.74Å; R569-V571 HydrophobicContact CB-CG2 4.03Å; R569-V571 PolarHBondContact O-N 2.73Å
570	N	34.6	Very low	39.8	Very low	144 Å²	144	122.7 Å²	122.7	77%	0.77	64%	0.638	S	S	*	*			trans	-63.4	87.2	161.8	-82.5	-10	0	0	0	106.4	R568	R568-N570 PolarHBondContact O-N 3.07Å
571	V	41.7	Very low	40.4	Very low	93 Å²	93	120 Å²	120	56%	0.564	63%	0.63	S	S	*	*			trans	-89.4	119.6	162.4	-177.7	0	0	0	0	104.3	R569 T573	R569-V571 HydrophobicContact CB-CG2 4.03Å; R569-V571 PolarHBondContact O-N 2.73Å; V571-T573 PolarHBondContact O-N 2.94Å
572	D	33.6	Very low	41.4	Very low	150 Å²	150	115.6 Å²	115.6	80%	0.802	61%	0.608	S	S	*	*			trans	-58.3	88.8	162	-66.8	-31.7	0	0	0	106.4	P574	D572-P574 WeakPolarHBondContact O-CD 3.31Å
573	T	40.5	Very low	42.7	Very low	62 Å²	62	110.4 Å²	110.4	38%	0.38	58%	0.582	S	S	.	*			trans	-58.1	119.7	149.4	9.4	0	0	0	0	102.3	V571 F575	V571-T573 PolarHBondContact O-N 2.94Å; T573-F575 PolarHBondContact O-N 3.29Å
574	P	37.6	Very low	44.6	Very low	107 Å²	107	108.3 Å²	108.3	70%	0.695	57%	0.569	S	S	*	*			trans	-58.1	102.5	177.5	22.5	-30.8	0	0	0	105.5	D572 Y576	D572-P574 WeakPolarHBondContact O-CD 3.31Å; P574-Y576 WeakPolarHBondContact O-CD1 3.45Å; P574-Y576 PolarHBondContact O-N 3.32Å
575	F	36.5	Very low	46.5	Very low	163 Å²	163	101.8 Å²	101.8	72%	0.715	54%	0.543	S	S	*	.			trans	-63.5	88.3	152.9	-88.5	-90.3	0	0	0	102.1	T573 T577	T573-F575 PolarHBondContact O-N 3.29Å; F575-T577 PolarHBondContact O-N 2.98Å
576	Y	39.5	Very low	48.3	Very low	97 Å²	97	97.1 Å²	97.1	38%	0.38	53%	0.529	S	S	.	.			trans	-60.1	91.9	143.7	62.2	-77.2	0	0	0	102.7	P574 V578 Y866 R885	P574-Y576 WeakPolarHBondContact O-CD1 3.45Å; P574-Y576 PolarHBondContact O-N 3.32Å; Y576-V578 HydrophobicContact CD2-CB 4.27Å; Y576-V578 HydrophobicContact CD2-CG2 3.39Å; Y576-V578 HydrophobicContact CE2-CG2 3.41Å; Y576-V578 VanDerWaalsContact CE2-CG2 3.41Å; Y576-V578 PolarHBondContact O-N 3.12Å; Y576-Y866 WeakPolarHBondContact OH-CB 3.5Å; Y576-R885 PolarHBondContact OH-NH2 3.43Å
577	T	39.3	Very low	50.3	Low	122 Å²	122	95 Å²	95	75%	0.748	53%	0.525	S	S	*	.			trans	-54	104.8	148.1	42.6	0	0	0	0	102.3	F575 G579	F575-T577 PolarHBondContact O-N 2.98Å; T577-G579 PolarHBondContact O-N 3.45Å
578	V	44.6	Very low	52.1	Low	32 Å²	32	89.7 Å²	89.7	19%	0.194	49%	0.49	C	S	.	.			trans	-65.6	93.3	176.2	-155.3	0	0	0	0	101.8	Y576 T582 V583 R885	Y576-V578 HydrophobicContact CD2-CB 4.27Å; Y576-V578 HydrophobicContact CD2-CG2 3.39Å; Y576-V578 HydrophobicContact CE2-CG2 3.41Å; Y576-V578 VanDerWaalsContact CE2-CG2 3.41Å; Y576-V578 PolarHBondContact O-N 3.12Å; V578-T582 VanDerWaalsContact CA-OG1 3.24Å; V578-T582 WeakPolarHBondContact CA-OG1 3.42Å; V578-T582 WeakPolarHBondContact CG1-O 3.36Å; V578-T582 WeakPolarHBondContact CG1-OG1 3.4Å; V578-V583 HydrophobicContact CB-CG2 4.11Å; V578-V583 HydrophobicContact CG1-CB 4.31Å; V578-V583 HydrophobicContact CG1-CG2 3.42Å; V578-V583 VanDerWaalsContact CG1-CG2 3.42Å; V578-R885 VanDerWaalsContact CG2-NH2 3.27Å
579	G	42.6	Very low	54.4	Low	39 Å²	39	80.7 Å²	80.7	40%	0.402	46%	0.457	S	S	.	.			trans	-50.7	156.6	170.4	0	0	0	0	0	107.8	T577 G581 T582	T577-G579 PolarHBondContact O-N 3.45Å; G579-G581 PolarHBondContact O-N 2.93Å; G579-T582 PolarHBondContact N-OG1 2.04Å; G579-T582 VanDerWaalsContact N-OG1 3.16Å; G579-T582 PolarHBondContact O-N 3.01Å; G579-T582 PolarHBondContact O-OG1 3.38Å; G579-T582 VanDerWaalsContact O-OG1 3.13Å
580	V	43	Very low	56.6	Low	160 Å²	160	74.1 Å²	74.1	97%	0.97	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-1.5	-173.8	-172.9	0	0	0	0	113.5
581	G	47	Very low	59.1	Low	66 Å²	66	68.1 Å²	68.1	68%	0.68	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	9.3	172.8	0	0	0	0	0	117.5	G579	G579-G581 PolarHBondContact O-N 2.93Å
582	T	55.1	Low	61.4	Low	42 Å²	42	63.8 Å²	63.8	26%	0.258	37%	0.373	S	S	.	.	S	Bend	trans	-116.6	20.4	-176.1	50.2	0	0	0	0	114.7	V578 G579 P845	V578-T582 VanDerWaalsContact CA-OG1 3.24Å; V578-T582 WeakPolarHBondContact CA-OG1 3.42Å; V578-T582 WeakPolarHBondContact CG1-O 3.36Å; V578-T582 WeakPolarHBondContact CG1-OG1 3.4Å; G579-T582 PolarHBondContact N-OG1 2.04Å; G579-T582 VanDerWaalsContact N-OG1 3.16Å; G579-T582 PolarHBondContact O-N 3.01Å; G579-T582 PolarHBondContact O-OG1 3.38Å; G579-T582 VanDerWaalsContact O-OG1 3.13Å; T582-P845 VanDerWaalsContact O-CB 3.24Å; T582-P845 WeakPolarHBondContact O-CB 3.35Å
583	V	66.6	Low	64.1	Low	57 Å²	57	57.5 Å²	57.5	35%	0.345	34%	0.339	S	S	.	.	S	Bend	trans	-96.2	-79.6	-174.5	176.6	0	0	0	0	109.6	V578 F862	V578-V583 HydrophobicContact CB-CG2 4.11Å; V578-V583 HydrophobicContact CG1-CB 4.31Å; V578-V583 HydrophobicContact CG1-CG2 3.42Å; V578-V583 VanDerWaalsContact CG1-CG2 3.42Å; V583-F862 HydrophobicContact CB-CD2 4.11Å; V583-F862 HydrophobicContact CB-CG 4.49Å; V583-F862 HydrophobicContact CG1-CB 3.91Å; V583-F862 HydrophobicContact CG1-CD2 3.23Å; V583-F862 HydrophobicContact CG1-CE2 4.02Å; V583-F862 HydrophobicContact CG1-CG 3.84Å; V583-F862 WeakPolarHBondContact O-CE2 3.1Å; V583-F862 WeakPolarHBondContact O-CZ 3.26Å
584	F	80.7	Confident	66.4	Low	51 Å²	51	57.5 Å²	57.5	22%	0.224	33%	0.333	C	S	.	.			trans	-151.3	140.5	-178	167	-94.4	0	0	0	108.4	A586 Y589 N856 R859 F862 Y908	F584-A586 HydrophobicContact CE1-CB 3.74Å; F584-A586 VanDerWaalsContact CE1-N 3.32Å; F584-A586 HydrophobicContact CZ-CB 4.25Å; F584-Y589 HydrophobicContact CE2-CD2 4.27Å; F584-Y589 HydrophobicContact CE2-CG 4.13Å; F584-Y589 HydrophobicContact CZ-CG 4.19Å; F584-N856 WeakPolarHBondContact CA-O 3.44Å; F584-R859 HydrophobicContact CE2-CG 4.15Å; F584-R859 VanDerWaalsContact CZ-CD 3.48Å; F584-F862 HydrophobicContact CB-CE2 4.17Å; F584-Y908 HydrophobicContact CZ-CE1 4.24Å
585	D	80.4	Confident	69	Low	31 Å²	31	52.4 Å²	52.4	17%	0.166	30%	0.299	C	S	.	.			trans	-121.4	117.8	175	-174.5	-17.7	0	0	0	109.3	D587 R588 Y589 N856	D585-D587 PolarHBondContact OD1-N 3.27Å; D585-R588 HydrophobicContact CB-CB 3.96Å; D585-R588 HydrophobicContact CB-CG 3.96Å; D585-R588 PolarHBondContact OD1-N 2.94Å; D585-R588 WeakPolarHBondContact OD2-CD 3.36Å; D585-R588 VanDerWaalsContact OD2-CG 3.32Å; D585-R588 WeakPolarHBondContact OD2-CG 3.26Å; D585-R588 IonicContact OD2-NE 4Å; D585-R588 PolarHBondContact OD2-NE 3.28Å; D585-Y589 PolarHBondContact O-N 3.01Å; D585-Y589 VanDerWaalsContact O-N 3.09Å; D585-N856 PolarHBondContact N-O 2.75Å; D585-N856 VanDerWaalsContact N-O 3.08Å
586	A	81.7	Confident	71.6	Confident	35 Å²	35	44.9 Å²	44.9	29%	0.289	27%	0.266	S	S	.	.	H	α-helix	trans	-66.1	-41.6	-178.1	0	0	0	0	0	111.6	F584 R588 Y589 F590	F584-A586 HydrophobicContact CE1-CB 3.74Å; F584-A586 VanDerWaalsContact CE1-N 3.32Å; F584-A586 HydrophobicContact CZ-CB 4.25Å; A586-R588 VanDerWaalsContact C-N 3.33Å; A586-R588 PolarHBondContact O-N 3.45Å; A586-Y589 WeakPolarHBondContact O-CB 3.09Å; A586-Y589 PolarHBondContact O-N 2.95Å; A586-Y589 VanDerWaalsContact O-N 3.16Å; A586-F590 WeakPolarHBondContact O-CD2 3.48Å; A586-F590 PolarHBondContact O-N 2.77Å; A586-F590 VanDerWaalsContact O-N 3.16Å
587	D	83.3	Confident	74	Confident	53 Å²	53	40.7 Å²	40.7	28%	0.283	25%	0.252	S	S	.	.	H	α-helix	trans	-66.5	-41.8	-175.9	-58.5	-24.6	0	0	0	109.2	D585 Y589 F590 E591	D585-D587 PolarHBondContact OD1-N 3.27Å; D587-Y589 PolarHBondContact O-N 2.86Å; D587-F590 PolarHBondContact O-N 2.77Å; D587-E591 WeakPolarHBondContact O-CG 3.35Å; D587-E591 PolarHBondContact O-N 3.37Å; D587-E591 VanDerWaalsContact O-N 3.13Å
588	R	84.1	Confident	76.5	Confident	21 Å²	21	35 Å²	35	8%	0.079	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-39.4	172.7	-71	-178.9	-179	-128.5	-11.2	113.3	Y512 D585 A586 E591 V592 T857	Y512-R588 HydrophobicContact CD2-CG 4.11Å; Y512-R588 HydrophobicContact CE2-CG 3.91Å; D585-R588 HydrophobicContact CB-CB 3.96Å; D585-R588 HydrophobicContact CB-CG 3.96Å; D585-R588 PolarHBondContact OD1-N 2.94Å; D585-R588 WeakPolarHBondContact OD2-CD 3.36Å; D585-R588 VanDerWaalsContact OD2-CG 3.32Å; D585-R588 WeakPolarHBondContact OD2-CG 3.26Å; D585-R588 IonicContact OD2-NE 4Å; D585-R588 PolarHBondContact OD2-NE 3.28Å; A586-R588 VanDerWaalsContact C-N 3.33Å; A586-R588 PolarHBondContact O-N 3.45Å; R588-E591 PolarHBondContact O-N 3.4Å; R588-V592 WeakPolarHBondContact O-CG2 3.39Å; R588-V592 PolarHBondContact O-N 2.74Å; R588-T857 HydrophobicContact CB-CG2 3.88Å
589	Y	88	Confident	78.8	Confident	0 Å²	0	34 Å²	34	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.4	-47.7	178.4	173.6	-94.9	0	0	0	111.1	F584 D585 A586 D587 E591 V592 Q593 R859 E905 Y908 Q909	F584-Y589 HydrophobicContact CE2-CD2 4.27Å; F584-Y589 HydrophobicContact CE2-CG 4.13Å; F584-Y589 HydrophobicContact CZ-CG 4.19Å; D585-Y589 PolarHBondContact O-N 3.01Å; D585-Y589 VanDerWaalsContact O-N 3.09Å; A586-Y589 WeakPolarHBondContact O-CB 3.09Å; A586-Y589 PolarHBondContact O-N 2.95Å; A586-Y589 VanDerWaalsContact O-N 3.16Å; D587-Y589 PolarHBondContact O-N 2.86Å; Y589-E591 VanDerWaalsContact C-N 3.32Å; Y589-E591 PolarHBondContact O-N 2.93Å; Y589-V592 PolarHBondContact O-N 2.78Å; Y589-Q593 HydrophobicContact CD1-CG 4.45Å; Y589-Q593 HydrophobicContact CE1-CG 4.02Å; Y589-Q593 HydrophobicContact CE2-CG 4.41Å; Y589-Q593 WeakPolarHBondContact O-CG 3.47Å; Y589-Q593 PolarHBondContact O-N 2.85Å; Y589-R859 HydrophobicContact CE2-CG 4.5Å; Y589-E905 HydrophobicContact CE2-CG 4.12Å; Y589-Y908 HydrophobicContact CD1-CD1 4.48Å; Y589-Y908 AromaticContact CD1-CE1 3.85Å; Y589-Y908 HydrophobicContact CD1-CE1 3.85Å; Y589-Y908 AromaticContact CE1-CD1 3.97Å; Y589-Y908 HydrophobicContact CE1-CD1 3.97Å; Y589-Y908 AromaticContact CE1-CE1 3.73Å; Y589-Y908 HydrophobicContact CE1-CE1 3.73Å; Y589-Y908 HydrophobicContact CG-CE1 4.43Å; Y589-Q909 PolarHBondContact OH-NE2 3.1Å
590	F	87.4	Confident	81.1	Confident	31 Å²	31	39.5 Å²	39.5	14%	0.136	22%	0.219	C	C	.	.	H	α-helix	trans	-65.8	-34.7	178.4	-71.6	-67.8	0	0	0	113	Q503 F526 A586 D587 Q593 R594 L912	Q503-F590 VanDerWaalsContact NE2-CE2 3.31Å; F526-F590 HydrophobicContact CZ-CD1 4.31Å; F526-F590 HydrophobicContact CZ-CE1 4.43Å; A586-F590 WeakPolarHBondContact O-CD2 3.48Å; A586-F590 PolarHBondContact O-N 2.77Å; A586-F590 VanDerWaalsContact O-N 3.16Å; D587-F590 PolarHBondContact O-N 2.77Å; F590-Q593 PolarHBondContact O-N 2.82Å; F590-R594 PolarHBondContact O-N 2.8Å; F590-L912 HydrophobicContact CE1-CD1 4.02Å; F590-L912 HydrophobicContact CZ-CD1 3.61Å; F590-L912 HydrophobicContact CZ-CD2 4.42Å
591	E	88.2	Confident	83.4	Confident	19 Å²	19	33.9 Å²	33.9	9%	0.089	18%	0.182	C	C	.	.	H	α-helix	trans	-72.2	-33.3	177.4	-72.3	-92.2	170	0	0	112.5	Y512 S514 V515 D587 R588 Y589 R594 L595	Y512-E591 WeakPolarHBondContact OH-CB 3.19Å; Y512-E591 VanDerWaalsContact OH-CD 3.28Å; Y512-E591 WeakPolarHBondContact OH-CG 3.41Å; Y512-E591 PolarHBondContact OH-OE2 2.79Å; S514-E591 PolarHBondContact OG-OE1 2.79Å; V515-E591 WeakPolarHBondContact CA-OE2 3.35Å; V515-E591 WeakPolarHBondContact CB-OE2 3.23Å; V515-E591 PolarHBondContact N-OE2 3.32Å; D587-E591 WeakPolarHBondContact O-CG 3.35Å; D587-E591 PolarHBondContact O-N 3.37Å; D587-E591 VanDerWaalsContact O-N 3.13Å; R588-E591 PolarHBondContact O-N 3.4Å; Y589-E591 VanDerWaalsContact C-N 3.32Å; Y589-E591 PolarHBondContact O-N 2.93Å; E591-R594 PolarHBondContact O-N 2.95Å; E591-R594 IonicContact OE1-CZ 3.53Å; E591-R594 IonicContact OE1-NH1 2.94Å; E591-R594 PolarHBondContact OE1-NH1 3.47Å; E591-R594 IonicContact OE1-NH2 2.88Å; E591-R594 IonicContact OE2-NH1 3.96Å; E591-R594 PolarHBondContact OE2-NH1 2.88Å; E591-L595 WeakPolarHBondContact O-CB 3.49Å; E591-L595 PolarHBondContact O-N 3.48Å
592	V	90	Very high	85.5	Confident	1 Å²	1	31 Å²	31	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-62.1	-45.1	167.3	164.3	0	0	0	0	111.3	R588 Y589 L595 I596 F853 F854 T857	R588-V592 WeakPolarHBondContact O-CG2 3.39Å; R588-V592 PolarHBondContact O-N 2.74Å; Y589-V592 PolarHBondContact O-N 2.78Å; V592-L595 PolarHBondContact O-N 3.34Å; V592-I596 HydrophobicContact CG1-CD1 3.76Å; V592-I596 HydrophobicContact CG1-CG1 4.46Å; V592-I596 WeakPolarHBondContact O-CG1 3.24Å; V592-I596 PolarHBondContact O-N 3.45Å; V592-F853 HydrophobicContact CG2-CD1 3.98Å; V592-F853 HydrophobicContact CG2-CE1 3.78Å; V592-F854 HydrophobicContact CB-CD1 4.32Å; V592-F854 HydrophobicContact CG1-CD1 3.66Å; V592-F854 HydrophobicContact CG1-CE1 4.02Å; V592-F854 HydrophobicContact CG2-CD1 3.7Å; V592-F854 HydrophobicContact CG2-CE1 4.39Å; V592-T857 HydrophobicContact CB-CG2 4.36Å; V592-T857 HydrophobicContact CG2-CG2 3.71Å
593	Q	89.3	Confident	87.3	Confident	19 Å²	19	32 Å²	32	9%	0.089	16%	0.157	C	C	.	.	H	α-helix	trans	-63.8	-41.3	177.2	-65.3	-58.7	-32.2	0	0	111.6	L521 F526 Y589 F590 L595 I596 A597 S877 E905	L521-Q593 HydrophobicContact CD2-CB 4.02Å; F526-Q593 HydrophobicContact CE1-CB 4.26Å; F526-Q593 HydrophobicContact CE1-CG 4.2Å; F526-Q593 HydrophobicContact CZ-CB 4.42Å; Y589-Q593 HydrophobicContact CD1-CG 4.45Å; Y589-Q593 HydrophobicContact CE1-CG 4.02Å; Y589-Q593 HydrophobicContact CE2-CG 4.41Å; Y589-Q593 WeakPolarHBondContact O-CG 3.47Å; Y589-Q593 PolarHBondContact O-N 2.85Å; F590-Q593 PolarHBondContact O-N 2.82Å; Q593-L595 VanDerWaalsContact C-N 3.34Å; Q593-L595 PolarHBondContact O-N 3.04Å; Q593-I596 PolarHBondContact O-N 2.9Å; Q593-A597 VanDerWaalsContact O-CB 3.31Å; Q593-A597 WeakPolarHBondContact O-CB 3.22Å; Q593-A597 PolarHBondContact O-N 2.98Å; Q593-S877 PolarHBondContact NE2-OG 2.96Å; Q593-S877 VanDerWaalsContact NE2-OG 3.16Å; Q593-E905 PolarHBondContact NE2-OE2 3.05Å
594	R	89.7	Confident	88.4	Confident	62 Å²	62	31.8 Å²	31.8	23%	0.234	16%	0.158	C	C	.	.	H	α-helix	trans	-57.1	-46.6	172.5	-173.3	-174.4	-70.1	156.9	0.1	111.5	L519 L521 F590 E591 A597 H598	L519-R594 VanDerWaalsContact O-CG 3.32Å; L519-R594 WeakPolarHBondContact O-CG 3.46Å; L521-R594 HydrophobicContact CB-CB 4.25Å; L521-R594 HydrophobicContact CB-CG 4.35Å; F590-R594 PolarHBondContact O-N 2.8Å; E591-R594 PolarHBondContact O-N 2.95Å; E591-R594 IonicContact OE1-CZ 3.53Å; E591-R594 IonicContact OE1-NH1 2.94Å; E591-R594 PolarHBondContact OE1-NH1 3.47Å; E591-R594 IonicContact OE1-NH2 2.88Å; E591-R594 IonicContact OE2-NH1 3.96Å; E591-R594 PolarHBondContact OE2-NH1 2.88Å; R594-A597 PolarHBondContact O-N 3.44Å; R594-H598 WeakPolarHBondContact O-CB 3.39Å; R594-H598 PolarHBondContact O-N 3.05Å
595	L	91.2	Very high	88.8	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-46.3	179.2	-173.8	145.7	0	0	0	111.9	E591 V592 Q593 A597 H598 V599 L617 V621 F853 F854 F875	E591-L595 WeakPolarHBondContact O-CB 3.49Å; E591-L595 PolarHBondContact O-N 3.48Å; V592-L595 PolarHBondContact O-N 3.34Å; Q593-L595 VanDerWaalsContact C-N 3.34Å; Q593-L595 PolarHBondContact O-N 3.04Å; L595-A597 VanDerWaalsContact C-N 3.34Å; L595-A597 PolarHBondContact O-N 3.04Å; L595-H598 PolarHBondContact O-N 2.82Å; L595-V599 HydrophobicContact CD2-CG2 4.19Å; L595-V599 WeakPolarHBondContact O-CG2 3.28Å; L595-V599 PolarHBondContact O-N 3.4Å; L595-L617 HydrophobicContact CD1-CD2 4.39Å; L595-L617 HydrophobicContact CD2-CD1 4.44Å; L595-L617 HydrophobicContact CG-CD2 4.49Å; L595-V621 HydrophobicContact CD1-CG2 3.53Å; L595-V621 HydrophobicContact CD2-CG1 4.33Å; L595-F853 HydrophobicContact CB-CE1 3.97Å; L595-F853 HydrophobicContact CB-CZ 4.45Å; L595-F853 HydrophobicContact CD1-CD1 3.96Å; L595-F853 HydrophobicContact CD1-CE1 3.52Å; L595-F853 HydrophobicContact CD1-CZ 3.86Å; L595-F853 HydrophobicContact CG-CE1 4.27Å; L595-F854 HydrophobicContact CD2-CE1 4.36Å; L595-F854 HydrophobicContact CD2-CZ 4.24Å; L595-F875 HydrophobicContact CD2-CE1 4.06Å; L595-F875 HydrophobicContact CD2-CZ 3.8Å
596	I	91.2	Very high	89.4	Confident	4 Å²	4	39 Å²	39	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-42.2	178.9	-68.2	169.8	0	0	0	110.6	V592 Q593 V599 R600 I841 F875	V592-I596 HydrophobicContact CG1-CD1 3.76Å; V592-I596 HydrophobicContact CG1-CG1 4.46Å; V592-I596 WeakPolarHBondContact O-CG1 3.24Å; V592-I596 PolarHBondContact O-N 3.45Å; Q593-I596 PolarHBondContact O-N 2.9Å; I596-V599 PolarHBondContact O-N 3.35Å; I596-R600 WeakPolarHBondContact O-CG 3.48Å; I596-R600 PolarHBondContact O-N 3.4Å; I596-I841 HydrophobicContact CD1-CD1 4.34Å; I596-F875 HydrophobicContact CG1-CE1 4.29Å
597	A	90.3	Very high	89.9	Confident	9 Å²	9	37.4 Å²	37.4	7%	0.074	18%	0.18	C	C	.	.	H	α-helix	trans	-62.1	-45.1	174.7	0	0	0	0	0	111.5	L521 D525 Q593 R594 L595 V599 R600 K601	L521-A597 HydrophobicContact CD1-CB 3.69Å; D525-A597 HydrophobicContact CB-CB 3.87Å; Q593-A597 VanDerWaalsContact O-CB 3.31Å; Q593-A597 WeakPolarHBondContact O-CB 3.22Å; Q593-A597 PolarHBondContact O-N 2.98Å; R594-A597 PolarHBondContact O-N 3.44Å; L595-A597 VanDerWaalsContact C-N 3.34Å; L595-A597 PolarHBondContact O-N 3.04Å; A597-V599 PolarHBondContact O-N 3.39Å; A597-R600 PolarHBondContact O-N 3.36Å; A597-R600 VanDerWaalsContact O-N 3.1Å; A597-K601 WeakPolarHBondContact O-CG 3.4Å; A597-K601 PolarHBondContact O-N 3.38Å
598	H	92.3	Very high	90.4	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.009	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-46.8	176.5	-176.7	80.5	0	0	0	112	L518 L519 R594 L595 R600 K601 V602 Q614 W806	L518-H598 HydrophobicContact CB-CB 4.29Å; L518-H598 HydrophobicContact CD1-CB 3.99Å; L519-H598 PolarHBondContact N-ND1 3.26Å; R594-H598 WeakPolarHBondContact O-CB 3.39Å; R594-H598 PolarHBondContact O-N 3.05Å; L595-H598 PolarHBondContact O-N 2.82Å; H598-R600 PolarHBondContact O-N 2.94Å; H598-K601 PolarHBondContact O-N 3.15Å; H598-K601 VanDerWaalsContact O-N 3.15Å; H598-V602 WeakPolarHBondContact NE2-CG2 3.5Å; H598-V602 WeakPolarHBondContact O-CG2 3.38Å; H598-V602 PolarHBondContact O-N 2.97Å; H598-Q614 PolarHBondContact NE2-O 3.36Å; H598-W806 AromaticContact CD2-CZ2 3.97Å
599	V	92.5	Very high	90.8	Very high	11 Å²	11	46.1 Å²	46.1	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-57.3	-36.5	176.8	169	0	0	0	0	111.6	L595 I596 A597 L617 W806 L836 F875	L595-V599 HydrophobicContact CD2-CG2 4.19Å; L595-V599 WeakPolarHBondContact O-CG2 3.28Å; L595-V599 PolarHBondContact O-N 3.4Å; I596-V599 PolarHBondContact O-N 3.35Å; A597-V599 PolarHBondContact O-N 3.39Å; V599-L617 HydrophobicContact CG2-CD1 3.79Å; V599-W806 HydrophobicContact CG1-CG 4.31Å; V599-W806 HydrophobicContact CG2-CZ2 4.47Å; V599-W806 PolarHBondContact O-NE1 3.04Å; V599-L836 HydrophobicContact CG1-CD2 4.33Å; V599-L836 HydrophobicContact CG2-CD2 4.11Å; V599-F875 HydrophobicContact CB-CE1 4.36Å; V599-F875 HydrophobicContact CG1-CD1 4.37Å; V599-F875 HydrophobicContact CG1-CE1 4.24Å; V599-F875 HydrophobicContact CG2-CE1 4.08Å
600	R	90.8	Very high	90.9	Very high	155 Å²	155	47.3 Å²	47.3	59%	0.585	23%	0.229	S	C	*	.	H	α-helix	trans	-76.4	-36.2	177	-67.9	173.3	-179.7	178.2	0.2	113.4	I596 A597 H598 L876	I596-R600 WeakPolarHBondContact O-CG 3.48Å; I596-R600 PolarHBondContact O-N 3.4Å; A597-R600 PolarHBondContact O-N 3.36Å; A597-R600 VanDerWaalsContact O-N 3.1Å; H598-R600 PolarHBondContact O-N 2.94Å; R600-L876 VanDerWaalsContact NH2-CD2 3.33Å
601	K	91.2	Very high	91.1	Very high	43 Å²	43	49.6 Å²	49.6	19%	0.187	25%	0.246	C	C	.	.	H	α-helix	trans	-71.9	-35.4	179.9	-73.5	-177.4	-173.7	-177.6	0	112.6	L519 P520 E522 D525 A597 H598 T603	L519-K601 HydrophobicContact CD1-CB 4.02Å; L519-K601 HydrophobicContact CD1-CD 4.01Å; P520-K601 PolarHBondContact O-NZ 3.41Å; E522-K601 VanDerWaalsContact CD-NZ 3.33Å; E522-K601 IonicContact OE1-NZ 3.5Å; E522-K601 PolarHBondContact OE1-NZ 3.07Å; D525-K601 WeakPolarHBondContact OD1-CE 3.49Å; D525-K601 IonicContact OD1-NZ 3.51Å; D525-K601 PolarHBondContact OD1-NZ 2.83Å; D525-K601 WeakPolarHBondContact OD2-CE 3.4Å; D525-K601 IonicContact OD2-NZ 3.56Å; D525-K601 PolarHBondContact OD2-NZ 3.08Å; A597-K601 WeakPolarHBondContact O-CG 3.4Å; A597-K601 PolarHBondContact O-N 3.38Å; H598-K601 PolarHBondContact O-N 3.15Å; H598-K601 VanDerWaalsContact O-N 3.15Å; K601-T603 PolarHBondContact O-N 3.05Å
602	V	92.2	Very high	91.1	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.036	27%	0.27	C	S	.	.			trans	-73.4	114.9	177.8	177.8	0	0	0	0	109.3	H598 C607 M610 L615 F797 W806	H598-V602 WeakPolarHBondContact NE2-CG2 3.5Å; H598-V602 WeakPolarHBondContact O-CG2 3.38Å; H598-V602 PolarHBondContact O-N 2.97Å; V602-C607 HydrophobicContact CG1-CB 4.47Å; V602-M610 HydrophobicContact CG2-CE 4.21Å; V602-M610 HydrophobicContact CG2-CG 4.36Å; V602-M610 HydrophobicContact CG2-SD 4.45Å; V602-L615 HydrophobicContact CG1-CD2 4.06Å; V602-F797 HydrophobicContact CG1-CD1 4.25Å; V602-F797 HydrophobicContact CG1-CD2 3.74Å; V602-F797 HydrophobicContact CG1-CE1 4.44Å; V602-F797 HydrophobicContact CG1-CE2 3.93Å; V602-F797 HydrophobicContact CG1-CG 3.91Å; V602-F797 HydrophobicContact CG1-CZ 4.29Å; V602-W806 HydrophobicContact CB-CZ2 3.99Å; V602-W806 HydrophobicContact CG1-CZ2 4.1Å; V602-W806 HydrophobicContact CG2-CZ2 4.09Å
603	T	91.1	Very high	91.1	Very high	62 Å²	62	57.7 Å²	57.7	38%	0.38	30%	0.3	S	S	.	.			trans	-125.8	165.8	177.2	64.8	0	0	0	0	110.2	K601 Q605 N606 C607	K601-T603 PolarHBondContact O-N 3.05Å; T603-Q605 PolarHBondContact O-N 2.71Å; T603-N606 PolarHBondContact O-N 2.77Å; T603-C607 WeakPolarHBondContact O-CB 3.41Å; T603-C607 PolarHBondContact O-N 3.41Å
604	S	89.9	Confident	91.2	Very high	52 Å²	52	58.3 Å²	58.3	36%	0.364	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-28.5	174	174	0	0	0	0	113.9	K804	S604-K804 WeakPolarHBondContact OG-CB 3.24Å; S604-K804 WeakPolarHBondContact OG-CD 3.46Å
605	Q	91	Very high	91.4	Very high	183 Å²	183	56.5 Å²	56.5	86%	0.855	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-30.8	179.6	-62.1	175.6	9.2	0	0	112.7	T603	T603-Q605 PolarHBondContact O-N 2.71Å
606	N	91.8	Very high	91.5	Very high	52 Å²	52	60.4 Å²	60.4	28%	0.278	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-13.5	-172.8	-164.3	11.2	0	0	0	113	T603 H608 L609 M610	T603-N606 PolarHBondContact O-N 2.77Å; N606-H608 PolarHBondContact O-N 2.77Å; N606-H608 VanDerWaalsContact O-N 3.12Å; N606-L609 PolarHBondContact O-N 3.08Å; N606-L609 WeakPolarHBondContact OD1-CD1 3.3Å; N606-M610 WeakPolarHBondContact ND2-CE 3.32Å
607	C	92.7	Very high	91.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-59.9	-29.7	-171.7	68	0	0	0	0	113.9	V602 T603 L609 M610 L615 F797 C799	V602-C607 HydrophobicContact CG1-CB 4.47Å; T603-C607 WeakPolarHBondContact O-CB 3.41Å; T603-C607 PolarHBondContact O-N 3.41Å; C607-L609 PolarHBondContact O-N 3.07Å; C607-M610 WeakPolarHBondContact O-CB 3.29Å; C607-M610 PolarHBondContact O-N 2.73Å; C607-M610 VanDerWaalsContact O-N 3.16Å; C607-L615 HydrophobicContact CB-CD2 4.23Å; C607-F797 HydrophobicContact CB-CD1 3.76Å; C607-F797 HydrophobicContact CB-CE1 3.47Å; C607-F797 VanDerWaalsContact CB-CE1 3.47Å; C607-F797 HydrophobicContact CB-CZ 4.34Å; C607-C799 HydrophobicContact CB-CB 3.68Å; C607-C799 WeakPolarHBondContact CB-SG 3.44Å; C607-C799 VanDerWaalsContact SG-CA 3.53Å; C607-C799 WeakPolarHBondContact SG-CB 3.39Å; C607-C799 CovalentContact SG-SG 2.04Å; C607-C799 PolarHBondContact SG-SG 2.82Å
608	H	92.5	Very high	91.6	Very high	113 Å²	113	60.5 Å²	60.5	52%	0.523	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-69.5	-17.7	177.5	-60.4	-65.8	0	0	0	113.9	N606 M610 C799 D800	N606-H608 PolarHBondContact O-N 2.77Å; N606-H608 VanDerWaalsContact O-N 3.12Å; H608-M610 VanDerWaalsContact C-N 3.33Å; H608-C799 PolarHBondContact CE1-SG 3.33Å; H608-C799 PolarHBondContact N-SG 3.41Å; H608-C799 VanDerWaalsContact N-SG 3.45Å; H608-C799 PolarHBondContact ND1-SG 3.06Å; H608-D800 IonicContact CE1-OD1 3.72Å; H608-D800 PolarHBondContact CE1-OD1 2.73Å; H608-D800 IonicContact ND1-OD1 3.97Å
609	L	92.8	Very high	91.4	Very high	145 Å²	145	61.9 Å²	61.9	76%	0.759	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-85.8	-8.5	175	-59.1	-176.6	0	0	0	112.5	N606 C607	N606-L609 PolarHBondContact O-N 3.08Å; N606-L609 WeakPolarHBondContact OD1-CD1 3.3Å; C607-L609 PolarHBondContact O-N 3.07Å
610	M	91.4	Very high	91.3	Very high	24 Å²	24	64.6 Å²	64.6	12%	0.118	34%	0.344	C	S	.	.	S	Bend	trans	-88.8	152.9	-178.3	-57.4	-62.2	163.8	0	0	111.4	L519 V602 N606 C607 H608 Q614 L615	L519-M610 HydrophobicContact CD1-CE 3.76Å; L519-M610 HydrophobicContact CD1-SD 4.26Å; L519-M610 HydrophobicContact CD2-SD 4.47Å; L519-M610 HydrophobicContact CG-SD 4.45Å; V602-M610 HydrophobicContact CG2-CE 4.21Å; V602-M610 HydrophobicContact CG2-CG 4.36Å; V602-M610 HydrophobicContact CG2-SD 4.45Å; N606-M610 WeakPolarHBondContact ND2-CE 3.32Å; C607-M610 WeakPolarHBondContact O-CB 3.29Å; C607-M610 PolarHBondContact O-N 2.73Å; C607-M610 VanDerWaalsContact O-N 3.16Å; H608-M610 VanDerWaalsContact C-N 3.33Å; M610-Q614 HydrophobicContact CB-CB 4.19Å; M610-L615 HydrophobicContact CB-CD1 4.47Å; M610-L615 HydrophobicContact CB-CD2 3.83Å; M610-L615 HydrophobicContact CB-CG 3.97Å; M610-L615 HydrophobicContact CG-CD2 4.16Å
611	T	91.8	Very high	91.4	Very high	80 Å²	80	57.2 Å²	57.2	49%	0.491	32%	0.316	S	S	.	.			trans	-79.7	159.8	170.2	59.8	0	0	0	0	111.3	D613 Q614 L615	T611-D613 VanDerWaalsContact C-N 3.26Å; T611-D613 PolarHBondContact O-N 3.37Å; T611-Q614 WeakPolarHBondContact O-CB 3.46Å; T611-Q614 PolarHBondContact O-N 2.66Å; T611-Q614 VanDerWaalsContact OG1-CD 3.28Å; T611-Q614 VanDerWaalsContact OG1-CG 3.29Å; T611-Q614 WeakPolarHBondContact OG1-CG 3.47Å; T611-Q614 PolarHBondContact OG1-OE1 3.13Å; T611-Q614 VanDerWaalsContact OG1-OE1 3.13Å; T611-L615 PolarHBondContact O-N 2.91Å
612	A	87.9	Confident	91.4	Very high	72 Å²	72	56 Å²	56	60%	0.595	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-57.2	-38.9	179.9	0	0	0	0	0	112.8	Q614 L615 I616	A612-Q614 VanDerWaalsContact C-N 3.27Å; A612-Q614 PolarHBondContact O-N 3.09Å; A612-L615 PolarHBondContact O-N 2.81Å; A612-I616 PolarHBondContact O-N 3.46Å
613	D	89	Confident	91.4	Very high	118 Å²	118	59.1 Å²	59.1	63%	0.631	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-67.8	-26.1	177.6	-67.3	-21.5	0	0	0	112.5	T611 I616	T611-D613 VanDerWaalsContact C-N 3.26Å; T611-D613 PolarHBondContact O-N 3.37Å; D613-I616 VanDerWaalsContact O-O 3.11Å
614	Q	92.4	Very high	91.4	Very high	31 Å²	31	57.6 Å²	57.6	15%	0.145	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-79.4	-18.6	176.2	-74.4	170.9	-27.6	0	0	113.5	H517 L518 H598 M610 T611 A612	H517-Q614 VanDerWaalsContact O-CG 3.25Å; H517-Q614 WeakPolarHBondContact O-CG 3.46Å; H517-Q614 PolarHBondContact O-NE2 2.77Å; L518-Q614 HydrophobicContact CD2-CB 4.32Å; L518-Q614 HydrophobicContact CD2-CG 4.24Å; H598-Q614 PolarHBondContact NE2-O 3.36Å; M610-Q614 HydrophobicContact CB-CB 4.19Å; T611-Q614 WeakPolarHBondContact O-CB 3.46Å; T611-Q614 PolarHBondContact O-N 2.66Å; T611-Q614 VanDerWaalsContact OG1-CD 3.28Å; T611-Q614 VanDerWaalsContact OG1-CG 3.29Å; T611-Q614 WeakPolarHBondContact OG1-CG 3.47Å; T611-Q614 PolarHBondContact OG1-OE1 3.13Å; T611-Q614 VanDerWaalsContact OG1-OE1 3.13Å; A612-Q614 VanDerWaalsContact C-N 3.27Å; A612-Q614 PolarHBondContact O-N 3.09Å
615	L	93.9	Very high	91.5	Very high	24 Å²	24	55.2 Å²	55.2	13%	0.126	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-93.1	-2.5	177.9	-62.8	174.5	0	0	0	112.4	V602 C607 M610 T611 A612 Y796 F797 C799 W806	V602-L615 HydrophobicContact CG1-CD2 4.06Å; C607-L615 HydrophobicContact CB-CD2 4.23Å; M610-L615 HydrophobicContact CB-CD1 4.47Å; M610-L615 HydrophobicContact CB-CD2 3.83Å; M610-L615 HydrophobicContact CB-CG 3.97Å; M610-L615 HydrophobicContact CG-CD2 4.16Å; T611-L615 PolarHBondContact O-N 2.91Å; A612-L615 PolarHBondContact O-N 2.81Å; L615-Y796 CarbonylContact O-C 3.53Å; L615-Y796 VanDerWaalsContact O-CA 3.29Å; L615-Y796 WeakPolarHBondContact O-CA 3.28Å; L615-F797 HydrophobicContact CB-CB 4.29Å; L615-F797 HydrophobicContact CD2-CB 3.89Å; L615-F797 HydrophobicContact CD2-CD1 4.15Å; L615-F797 HydrophobicContact CD2-CG 4.22Å; L615-F797 PolarHBondContact O-N 3.39Å; L615-C799 HydrophobicContact CD1-CB 4.3Å; L615-W806 WeakPolarHBondContact O-CZ3 3.41Å
616	I	93.3	Very high	91.6	Very high	82 Å²	82	52.1 Å²	52.1	42%	0.421	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-121.4	118.3	178.7	-59.6	171.7	0	0	0	108.3	A612 D613	A612-I616 PolarHBondContact O-N 3.46Å; D613-I616 VanDerWaalsContact O-O 3.11Å
617	L	92.8	Very high	91.5	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.31	C	S	.	.			trans	-86.7	155.2	175.8	-60.2	-179.3	0	0	0	111	L518 L595 V599 G619 V621 Q794 P795 W806 L836	L518-L617 HydrophobicContact CD1-CD2 4Å; L595-L617 HydrophobicContact CD1-CD2 4.39Å; L595-L617 HydrophobicContact CD2-CD1 4.44Å; L595-L617 HydrophobicContact CG-CD2 4.49Å; V599-L617 HydrophobicContact CG2-CD1 3.79Å; L617-G619 PolarHBondContact O-N 3.33Å; L617-V621 HydrophobicContact CB-CB 4.47Å; L617-V621 HydrophobicContact CB-CG2 4.27Å; L617-V621 HydrophobicContact CD1-CG1 4.12Å; L617-Q794 PolarHBondContact O-OE1 3Å; L617-P795 HydrophobicContact CB-CB 4.12Å; L617-P795 HydrophobicContact CB-CG 4.31Å; L617-P795 HydrophobicContact CD1-CB 4.18Å; L617-P795 HydrophobicContact CG-CB 4.48Å; L617-P795 PolarHBondContact N-O 2.83Å; L617-W806 HydrophobicContact CD1-CE3 4.1Å; L617-W806 HydrophobicContact CD1-CH2 4.33Å; L617-W806 HydrophobicContact CD1-CZ3 3.94Å; L617-W806 HydrophobicContact CD2-CH2 3.88Å; L617-W806 HydrophobicContact CD2-CZ3 4.1Å; L617-W806 HydrophobicContact CG-CE3 4.18Å; L617-W806 HydrophobicContact CG-CH2 3.86Å; L617-W806 HydrophobicContact CG-CZ3 3.53Å; L617-L836 HydrophobicContact CD1-CD2 3.59Å
618	P	91	Very high	91.3	Very high	15 Å²	15	59.2 Å²	59.2	10%	0.097	32%	0.319	C	S	.	.			trans	-56	140	172.2	-23.4	33.1	0	0	0	112	V515 E620 V621	V515-P618 HydrophobicContact CG2-CG 4.41Å; P618-E620 PolarHBondContact O-N 3.34Å; P618-V621 HydrophobicContact CB-CG2 4.44Å; P618-V621 VanDerWaalsContact O-CB 3.28Å; P618-V621 WeakPolarHBondContact O-CB 3.5Å; P618-V621 WeakPolarHBondContact O-CG2 3.49Å; P618-V621 PolarHBondContact O-N 2.98Å
619	G	88.1	Confident	91.3	Very high	30 Å²	30	54.1 Å²	54.1	31%	0.309	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-57.4	-22.3	177.5	0	0	0	0	0	115.1	L617 V621 S622	L617-G619 PolarHBondContact O-N 3.33Å; G619-V621 PolarHBondContact O-N 3.47Å; G619-S622 PolarHBondContact O-N 2.88Å; G619-S622 PolarHBondContact O-OG 3.46Å
620	E	90.3	Very high	91.2	Very high	68 Å²	68	49.9 Å²	49.9	32%	0.318	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-65.2	-19.1	174.9	-60.7	-177.9	-173.1	0	0	113.5	P618 S622 Y623 P851 F853	P618-E620 PolarHBondContact O-N 3.34Å; E620-S622 VanDerWaalsContact C-N 3.34Å; E620-Y623 WeakPolarHBondContact O-CB 3.4Å; E620-Y623 PolarHBondContact O-N 2.97Å; E620-P851 HydrophobicContact CG-CB 4.23Å; E620-F853 HydrophobicContact CB-CB 3.9Å; E620-F853 PolarHBondContact O-N 2.77Å; E620-F853 VanDerWaalsContact O-N 3.15Å
621	V	92.8	Very high	91.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-71.2	-32.6	175.9	177.1	0	0	0	0	111.1	L595 L617 P618 G619 Y623 P795 L836 L839 F853 F854 F875	L595-V621 HydrophobicContact CD1-CG2 3.53Å; L595-V621 HydrophobicContact CD2-CG1 4.33Å; L617-V621 HydrophobicContact CB-CB 4.47Å; L617-V621 HydrophobicContact CB-CG2 4.27Å; L617-V621 HydrophobicContact CD1-CG1 4.12Å; P618-V621 HydrophobicContact CB-CG2 4.44Å; P618-V621 VanDerWaalsContact O-CB 3.28Å; P618-V621 WeakPolarHBondContact O-CB 3.5Å; P618-V621 WeakPolarHBondContact O-CG2 3.49Å; P618-V621 PolarHBondContact O-N 2.98Å; G619-V621 PolarHBondContact O-N 3.47Å; V621-Y623 PolarHBondContact O-N 3.23Å; V621-P795 HydrophobicContact CB-CG 4.2Å; V621-P795 HydrophobicContact CG1-CG 4.2Å; V621-L836 HydrophobicContact CG1-CD1 4.24Å; V621-L839 WeakPolarHBondContact O-CD2 3.1Å; V621-F853 HydrophobicContact CG2-CB 4.08Å; V621-F853 HydrophobicContact CG2-CD1 4.22Å; V621-F853 HydrophobicContact CG2-CG 4.03Å; V621-F854 HydrophobicContact CB-CE2 4.5Å; V621-F854 HydrophobicContact CG1-CE2 4.04Å; V621-F854 HydrophobicContact CG1-CZ 3.96Å; V621-F875 HydrophobicContact CG1-CE2 3.93Å; V621-F875 HydrophobicContact CG1-CZ 3.83Å
622	S	91.9	Very high	91.3	Very high	16 Å²	16	46.2 Å²	46.2	11%	0.112	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-78.2	14	175.3	50.5	0	0	0	0	113.9	G619 E620 G624 V625	G619-S622 PolarHBondContact O-N 2.88Å; G619-S622 PolarHBondContact O-OG 3.46Å; E620-S622 VanDerWaalsContact C-N 3.34Å; S622-G624 PolarHBondContact O-N 2.91Å; S622-V625 VanDerWaalsContact O-CB 3.25Å; S622-V625 WeakPolarHBondContact O-CB 3.47Å; S622-V625 WeakPolarHBondContact O-CG1 3.38Å; S622-V625 PolarHBondContact O-N 3.36Å; S622-V625 VanDerWaalsContact O-N 3.09Å
623	Y	92.2	Very high	91.7	Very high	73 Å²	73	42.8 Å²	42.8	29%	0.286	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	129.6	-179.6	178.8	-98.3	0	0	0	111.9	E620 V621 V625 Q846 T850 P851 N852	E620-Y623 WeakPolarHBondContact O-CB 3.4Å; E620-Y623 PolarHBondContact O-N 2.97Å; V621-Y623 PolarHBondContact O-N 3.23Å; Y623-V625 VanDerWaalsContact C-N 3.33Å; Y623-Q846 PolarHBondContact OH-NE2 3.32Å; Y623-T850 HydrophobicContact CD2-CG2 4.42Å; Y623-T850 HydrophobicContact CE2-CG2 3.51Å; Y623-P851 WeakPolarHBondContact CD2-O 3.2Å; Y623-N852 HydrophobicContact CD1-CB 3.67Å; Y623-N852 HydrophobicContact CD2-CB 3.88Å; Y623-N852 HydrophobicContact CE1-CB 4.08Å; Y623-N852 HydrophobicContact CE2-CB 4.27Å; Y623-N852 HydrophobicContact CG-CB 3.56Å
624	G	90	Very high	92	Very high	29 Å²	29	38.3 Å²	38.3	30%	0.299	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-7.1	179.9	0	0	0	0	0	115.1	S622 E626 K627 Q628	S622-G624 PolarHBondContact O-N 2.91Å; G624-E626 PolarHBondContact O-N 2.89Å; G624-K627 PolarHBondContact O-N 3.29Å; G624-K627 VanDerWaalsContact O-N 3.1Å; G624-Q628 PolarHBondContact O-N 3.2Å
625	V	92.8	Very high	92.1	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	19%	0.191	C	C	.	.	H	α-helix	trans	-53.7	-42.3	177.7	71.7	0	0	0	0	111.9	S622 Y623 K627 Q628 F629 W792 I808 L839	S622-V625 VanDerWaalsContact O-CB 3.25Å; S622-V625 WeakPolarHBondContact O-CB 3.47Å; S622-V625 WeakPolarHBondContact O-CG1 3.38Å; S622-V625 PolarHBondContact O-N 3.36Å; S622-V625 VanDerWaalsContact O-N 3.09Å; Y623-V625 VanDerWaalsContact C-N 3.33Å; V625-K627 PolarHBondContact O-N 3.34Å; V625-Q628 PolarHBondContact O-N 3.07Å; V625-F629 HydrophobicContact CG2-CD2 3.68Å; V625-F629 HydrophobicContact CG2-CE2 4.43Å; V625-F629 PolarHBondContact O-N 3.18Å; V625-W792 HydrophobicContact CG1-CB 4.18Å; V625-W792 HydrophobicContact CG1-CD2 3.89Å; V625-W792 HydrophobicContact CG1-CE3 4.18Å; V625-W792 HydrophobicContact CG1-CG 3.92Å; V625-W792 HydrophobicContact CG2-CD2 4.17Å; V625-W792 HydrophobicContact CG2-CE3 3.78Å; V625-W792 HydrophobicContact CG2-CH2 3.97Å; V625-W792 HydrophobicContact CG2-CZ2 4.38Å; V625-W792 HydrophobicContact CG2-CZ3 3.66Å; V625-I808 HydrophobicContact CG2-CD1 4.24Å; V625-I808 HydrophobicContact CG2-CG2 3.92Å; V625-L839 HydrophobicContact CB-CD1 3.94Å; V625-L839 HydrophobicContact CG2-CD1 4.23Å
626	E	92.4	Very high	92.3	Very high	117 Å²	117	36.1 Å²	36.1	55%	0.547	19%	0.185	S	C	.	.	H	α-helix	trans	-56.8	-34.7	-178.4	-73	170.3	-173.5	0	0	113.2	G624 E630 Y787 W792	G624-E626 PolarHBondContact O-N 2.89Å; E626-E630 WeakPolarHBondContact O-CA 3.31Å; E626-E630 WeakPolarHBondContact O-CB 3.45Å; E626-E630 PolarHBondContact O-N 2.95Å; E626-Y787 PolarHBondContact O-OH 2.95Å; E626-W792 HydrophobicContact CG-CG 4.23Å
627	K	89.5	Confident	92.5	Very high	164 Å²	164	32.3 Å²	32.3	71%	0.713	17%	0.165	S	C	*	.	H	α-helix	trans	-93	-42	-178.1	-66	-177.7	-179.7	178.4	0	111.9	G624 V625	G624-K627 PolarHBondContact O-N 3.29Å; G624-K627 VanDerWaalsContact O-N 3.1Å; V625-K627 PolarHBondContact O-N 3.34Å
628	Q	88.8	Confident	92.7	Very high	38 Å²	38	32.4 Å²	32.4	18%	0.178	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-44.5	-179.8	-179.8	175.8	-15.8	0	0	111.4	G624 V625 S838	G624-Q628 PolarHBondContact O-N 3.2Å; V625-Q628 PolarHBondContact O-N 3.07Å; Q628-S838 PolarHBondContact NE2-O 3.41Å
629	F	92.2	Very high	93	Very high	5 Å²	5	31.7 Å²	31.7	2%	0.022	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	21.6	-177	-63.3	-71.4	0	0	0	113	V625 M631 V632 G633 W792 V834 L839	V625-F629 HydrophobicContact CG2-CD2 3.68Å; V625-F629 HydrophobicContact CG2-CE2 4.43Å; V625-F629 PolarHBondContact O-N 3.18Å; F629-M631 PolarHBondContact O-N 3.38Å; F629-V632 HydrophobicContact CB-CB 4.21Å; F629-V632 HydrophobicContact CB-CG2 4.42Å; F629-V632 HydrophobicContact CD1-CG2 4.02Å; F629-V632 WeakPolarHBondContact O-CA 3.29Å; F629-V632 WeakPolarHBondContact O-CB 3.38Å; F629-V632 PolarHBondContact O-N 3.08Å; F629-G633 PolarHBondContact O-N 3.41Å; F629-W792 HydrophobicContact CB-CH2 3.8Å; F629-W792 HydrophobicContact CB-CZ2 4.22Å; F629-V834 HydrophobicContact CD1-CG1 4.16Å; F629-V834 HydrophobicContact CD2-CG2 4.18Å; F629-V834 HydrophobicContact CE1-CG1 4.46Å; F629-V834 HydrophobicContact CE2-CG2 4.24Å; F629-V834 HydrophobicContact CG-CG1 4.46Å; F629-V834 HydrophobicContact CG-CG2 4.34Å; F629-V834 HydrophobicContact CZ-CG2 4.48Å; F629-L839 HydrophobicContact CD2-CD1 4.22Å; F629-L839 HydrophobicContact CE2-CB 4.25Å; F629-L839 HydrophobicContact CE2-CD1 3.8Å
630	E	92.1	Very high	93.5	Very high	57 Å²	57	30.2 Å²	30.2	27%	0.266	15%	0.146	S	C	.	.	H	α-helix	trans	-51.4	-46.5	177.7	-168.8	-166.1	155.2	0	0	111.7	E626 V632 G633 R634 Y787	E626-E630 WeakPolarHBondContact O-CA 3.31Å; E626-E630 WeakPolarHBondContact O-CB 3.45Å; E626-E630 PolarHBondContact O-N 2.95Å; E630-V632 PolarHBondContact O-N 3.34Å; E630-G633 PolarHBondContact O-N 3.32Å; E630-R634 WeakPolarHBondContact O-CB 3.49Å; E630-R634 WeakPolarHBondContact O-CG 3.22Å; E630-R634 PolarHBondContact O-N 3.14Å; E630-R634 IonicContact OE1-CZ 3Å; E630-R634 VanDerWaalsContact OE1-CZ 3.24Å; E630-R634 IonicContact OE1-NE 2.67Å; E630-R634 PolarHBondContact OE1-NE 2.91Å; E630-R634 IonicContact OE1-NH2 3.63Å; E630-R634 PolarHBondContact OE1-NH2 2.86Å; E630-Y787 WeakPolarHBondContact CA-OH 3.38Å; E630-Y787 HydrophobicContact CB-CE1 4.46Å; E630-Y787 HydrophobicContact CG-CD1 4.18Å; E630-Y787 HydrophobicContact CG-CE1 3.71Å; E630-Y787 HydrophobicContact CG-CE2 4.45Å
631	M	91	Very high	93.8	Very high	20 Å²	20	27.1 Å²	27.1	10%	0.099	13%	0.131	C	C	.	.	H	α-helix	trans	-67.2	-24.6	-179.4	-61.5	-54.5	130.7	0	0	113.3	S91 H95 V144 F629 T635	S91-M631 WeakPolarHBondContact OG-CG 3.3Å; H95-M631 HydrophobicContact CB-CB 3.97Å; H95-M631 HydrophobicContact CB-CG 3.94Å; H95-M631 HydrophobicContact CB-SD 3.8Å; H95-M631 PolarHBondContact CE1-O 2.77Å; H95-M631 PolarHBondContact ND1-O 3.18Å; V144-M631 HydrophobicContact CG2-CE 4.29Å; V144-M631 HydrophobicContact CG2-SD 4.2Å; F629-M631 PolarHBondContact O-N 3.38Å; M631-T635 PolarHBondContact O-OG1 2.62Å
632	V	93.5	Very high	94.1	Very high	7 Å²	7	27 Å²	27	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-79.3	-46.2	175.4	177.8	0	0	0	0	110.1	F629 E630 R634 T635 D683 I684 V832 V834	F629-V632 HydrophobicContact CB-CB 4.21Å; F629-V632 HydrophobicContact CB-CG2 4.42Å; F629-V632 HydrophobicContact CD1-CG2 4.02Å; F629-V632 WeakPolarHBondContact O-CA 3.29Å; F629-V632 WeakPolarHBondContact O-CB 3.38Å; F629-V632 PolarHBondContact O-N 3.08Å; E630-V632 PolarHBondContact O-N 3.34Å; V632-R634 VanDerWaalsContact C-N 3.26Å; V632-R634 PolarHBondContact O-N 2.92Å; V632-T635 VanDerWaalsContact O-CB 3.28Å; V632-T635 WeakPolarHBondContact O-CB 3.22Å; V632-T635 PolarHBondContact O-N 2.95Å; V632-D683 HydrophobicContact CG2-CB 4.31Å; V632-I684 HydrophobicContact CG1-CD1 4.01Å; V632-I684 HydrophobicContact CG1-CG1 3.57Å; V632-V832 HydrophobicContact CG1-CG1 3.48Å; V632-V832 VanDerWaalsContact CG1-CG1 3.48Å; V632-V834 HydrophobicContact CB-CG1 4.49Å; V632-V834 HydrophobicContact CG1-CG1 3.71Å
633	G	95.4	Very high	94.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.4	-33.8	175.1	0	0	0	0	0	112.5	F629 E630 T635 A636 L637 Y810	F629-G633 PolarHBondContact O-N 3.41Å; E630-G633 PolarHBondContact O-N 3.32Å; G633-T635 PolarHBondContact O-N 3.43Å; G633-A636 WeakPolarHBondContact O-CB 3.37Å; G633-A636 PolarHBondContact O-N 3.08Å; G633-A636 VanDerWaalsContact O-N 3.07Å; G633-L637 PolarHBondContact O-N 3.41Å; G633-Y810 VanDerWaalsContact O-CE1 3.24Å; G633-Y810 WeakPolarHBondContact O-CE1 3.26Å
634	R	95.5	Very high	94.6	Very high	24 Å²	24	22.8 Å²	22.8	9%	0.091	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-26	172.3	-76.3	-176.2	-176.2	-70.4	-5.9	113.9	S140 E630 V632 L637 R638 Y787	S140-R634 PolarHBondContact O-NH1 3.28Å; E630-R634 WeakPolarHBondContact O-CB 3.49Å; E630-R634 WeakPolarHBondContact O-CG 3.22Å; E630-R634 PolarHBondContact O-N 3.14Å; E630-R634 IonicContact OE1-CZ 3Å; E630-R634 VanDerWaalsContact OE1-CZ 3.24Å; E630-R634 IonicContact OE1-NE 2.67Å; E630-R634 PolarHBondContact OE1-NE 2.91Å; E630-R634 IonicContact OE1-NH2 3.63Å; E630-R634 PolarHBondContact OE1-NH2 2.86Å; V632-R634 VanDerWaalsContact C-N 3.26Å; V632-R634 PolarHBondContact O-N 2.92Å; R634-L637 PolarHBondContact O-N 2.86Å; R634-R638 VanDerWaalsContact O-CB 3.3Å; R634-R638 WeakPolarHBondContact O-CB 3.39Å; R634-R638 PolarHBondContact O-N 2.74Å; R634-Y787 HydrophobicContact CG-CD2 4.18Å
635	T	95.5	Very high	94.8	Very high	8 Å²	8	21.4 Å²	21.4	5%	0.049	10%	0.098	C	C	.	.	H	α-helix	trans	-66.5	-39.4	172	-56.6	0	0	0	0	111.6	M631 V632 G633 L639 N677 I684	M631-T635 PolarHBondContact O-OG1 2.62Å; V632-T635 VanDerWaalsContact O-CB 3.28Å; V632-T635 WeakPolarHBondContact O-CB 3.22Å; V632-T635 PolarHBondContact O-N 2.95Å; G633-T635 PolarHBondContact O-N 3.43Å; T635-L639 PolarHBondContact O-N 2.93Å; T635-N677 HydrophobicContact CG2-CB 4.2Å; T635-N677 VanDerWaalsContact CG2-OD1 3.23Å; T635-N677 WeakPolarHBondContact CG2-OD1 3.23Å; T635-I684 HydrophobicContact CG2-CD1 4.17Å
636	A	97.2	Very high	94.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.1	-43.2	171.7	0	0	0	0	0	111.1	G633 R638 L639 S640 Y810 T812 V830 V832	G633-A636 WeakPolarHBondContact O-CB 3.37Å; G633-A636 PolarHBondContact O-N 3.08Å; G633-A636 VanDerWaalsContact O-N 3.07Å; A636-R638 VanDerWaalsContact C-N 3.31Å; A636-R638 PolarHBondContact O-N 3.45Å; A636-L639 PolarHBondContact O-N 3.06Å; A636-L639 VanDerWaalsContact O-N 3.15Å; A636-S640 PolarHBondContact O-N 3.22Å; A636-Y810 HydrophobicContact CB-CD1 3.82Å; A636-Y810 HydrophobicContact CB-CE1 4.12Å; A636-T812 HydrophobicContact CB-CG2 4.01Å; A636-V830 HydrophobicContact CB-CG1 4.08Å; A636-V832 HydrophobicContact CB-CB 4.1Å; A636-V832 HydrophobicContact CB-CG2 3.63Å
637	L	97.2	Very high	95.1	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.016	8%	0.079	C	C	.	.	H	α-helix	trans	-57.8	-44.7	177.8	-170.6	67	0	0	0	111.4	G633 R634 L639 S640 H641 P785 Y787	G633-L637 PolarHBondContact O-N 3.41Å; R634-L637 PolarHBondContact O-N 2.86Å; L637-L639 VanDerWaalsContact C-N 3.32Å; L637-L639 PolarHBondContact O-N 2.9Å; L637-S640 WeakPolarHBondContact CA-OG 3.44Å; L637-S640 CarbonylContact O-C 3.48Å; L637-S640 PolarHBondContact O-N 2.87Å; L637-S640 VanDerWaalsContact O-N 3.09Å; L637-S640 PolarHBondContact O-OG 3.34Å; L637-H641 WeakPolarHBondContact CG-NE2 3.25Å; L637-H641 PolarHBondContact O-CD2 3.41Å; L637-H641 PolarHBondContact O-N 2.91Å; L637-P785 HydrophobicContact CD1-CG 4.03Å; L637-Y787 HydrophobicContact CD2-CD2 4.47Å
638	R	97.2	Very high	95.2	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.008	5%	0.053	C	C	.	.	H	α-helix	trans	-53	-47.5	174.1	-178.5	-96.5	173.3	-160.5	-14.7	112.6	L99 R103 S133 D137 S140 R634 A636 H641 F642 E673	L99-R638 HydrophobicContact CD1-CG 4.49Å; R103-R638 VanDerWaalsContact CZ-CZ 3.49Å; S133-R638 PolarHBondContact O-NH2 2.99Å; S133-R638 PolarHBondContact OG-NH2 2.84Å; D137-R638 IonicContact OD1-CZ 3.86Å; D137-R638 IonicContact OD1-NE 3.48Å; D137-R638 PolarHBondContact OD1-NE 2.94Å; D137-R638 IonicContact OD1-NH2 2.69Å; D137-R638 PolarHBondContact OD1-NH2 3.47Å; S140-R638 VanDerWaalsContact CB-CA 3.41Å; S140-R638 VanDerWaalsContact OG-CB 3.29Å; S140-R638 WeakPolarHBondContact OG-CB 3.43Å; R634-R638 VanDerWaalsContact O-CB 3.3Å; R634-R638 WeakPolarHBondContact O-CB 3.39Å; R634-R638 PolarHBondContact O-N 2.74Å; A636-R638 VanDerWaalsContact C-N 3.31Å; A636-R638 PolarHBondContact O-N 3.45Å; R638-H641 PolarHBondContact O-N 2.81Å; R638-F642 PolarHBondContact O-N 2.84Å; R638-E673 IonicContact CZ-OE2 2.78Å; R638-E673 IonicContact NH1-OE1 2.86Å; R638-E673 IonicContact NH1-OE2 3.4Å; R638-E673 PolarHBondContact NH1-OE2 2.84Å
639	L	97.7	Very high	95.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-67.8	-38.7	178.2	-177.8	55	0	0	0	111.3	T635 A636 L637 H641 F642 L643 E673 V674 I689 V830	T635-L639 PolarHBondContact O-N 2.93Å; A636-L639 PolarHBondContact O-N 3.06Å; A636-L639 VanDerWaalsContact O-N 3.15Å; L637-L639 VanDerWaalsContact C-N 3.32Å; L637-L639 PolarHBondContact O-N 2.9Å; L639-H641 VanDerWaalsContact C-N 3.35Å; L639-H641 PolarHBondContact O-N 2.81Å; L639-F642 HydrophobicContact CD1-CD1 4.17Å; L639-F642 PolarHBondContact O-N 3.29Å; L639-L643 HydrophobicContact CD1-CG 4.35Å; L639-L643 HydrophobicContact CG-CD1 4.45Å; L639-L643 VanDerWaalsContact O-CG 3.31Å; L639-L643 WeakPolarHBondContact O-CG 3.35Å; L639-L643 PolarHBondContact O-N 2.94Å; L639-E673 HydrophobicContact CD1-CB 3.7Å; L639-E673 HydrophobicContact CD1-CG 3.86Å; L639-E673 HydrophobicContact CD2-CB 4.18Å; L639-V674 HydrophobicContact CD2-CG1 4.46Å; L639-I689 HydrophobicContact CD1-CD1 4.41Å; L639-I689 HydrophobicContact CD2-CD1 3.87Å; L639-I689 HydrophobicContact CD2-CG1 3.8Å; L639-I689 HydrophobicContact CG-CD1 4.34Å; L639-I689 HydrophobicContact CG-CG1 4.43Å; L639-V830 HydrophobicContact CB-CG1 4.1Å; L639-V830 HydrophobicContact CB-CG2 4.5Å; L639-V830 HydrophobicContact CD2-CG1 3.83Å; L639-V830 HydrophobicContact CG-CG1 4.12Å; L639-V830 HydrophobicContact CG-CG2 4.16Å
640	S	97.8	Very high	95.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.7	-36.2	174.4	74.3	0	0	0	0	113.5	A636 L637 S644 T812 P813 F814	A636-S640 PolarHBondContact O-N 3.22Å; L637-S640 WeakPolarHBondContact CA-OG 3.44Å; L637-S640 CarbonylContact O-C 3.48Å; L637-S640 PolarHBondContact O-N 2.87Å; L637-S640 VanDerWaalsContact O-N 3.09Å; L637-S640 PolarHBondContact O-OG 3.34Å; S640-S644 VanDerWaalsContact O-CB 3.24Å; S640-S644 WeakPolarHBondContact O-CB 3.26Å; S640-S644 PolarHBondContact O-N 2.72Å; S640-S644 PolarHBondContact O-OG 2.97Å; S640-T812 PolarHBondContact OG-OG1 2.8Å; S640-P813 WeakPolarHBondContact CB-O 3.39Å; S640-F814 WeakPolarHBondContact O-CB 3.49Å
641	H	97.9	Very high	94.8	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.009	7%	0.071	C	C	.	.	H	α-helix	trans	-65.6	-45.4	173.4	-79.4	-144.3	0	0	0	110.7	A136 S139 L637 R638 L639 S644 A645 V784 P785	A136-H641 HydrophobicContact CB-CB 4.09Å; S139-H641 WeakPolarHBondContact CB-ND1 3.26Å; S139-H641 PolarHBondContact OG-ND1 2.96Å; L637-H641 WeakPolarHBondContact CG-NE2 3.25Å; L637-H641 PolarHBondContact O-CD2 3.41Å; L637-H641 PolarHBondContact O-N 2.91Å; R638-H641 PolarHBondContact O-N 2.81Å; L639-H641 VanDerWaalsContact C-N 3.35Å; L639-H641 PolarHBondContact O-N 2.81Å; H641-S644 PolarHBondContact O-N 2.99Å; H641-A645 VanDerWaalsContact O-CB 3.26Å; H641-A645 WeakPolarHBondContact O-CB 3.44Å; H641-A645 PolarHBondContact O-N 3.29Å; H641-V784 HydrophobicContact CB-CG1 4.28Å; H641-V784 VanDerWaalsContact CE1-CG2 3.47Å; H641-V784 WeakPolarHBondContact CE1-CG2 3.44Å; H641-P785 PolarHBondContact NE2-O 3Å; H641-P785 VanDerWaalsContact NE2-O 3.12Å
642	F	97.7	Very high	94.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59	-51.5	176.9	170	-111.2	0	0	0	111.5	Y129 L132 A136 R638 L639 S644 A645 Y646 L665	Y129-F642 HydrophobicContact CD1-CE2 4.46Å; Y129-F642 HydrophobicContact CD1-CZ 4.28Å; Y129-F642 HydrophobicContact CD2-CE2 4.39Å; Y129-F642 AromaticContact CD2-CZ 3.66Å; Y129-F642 HydrophobicContact CD2-CZ 3.66Å; Y129-F642 HydrophobicContact CE1-CE2 4.37Å; Y129-F642 AromaticContact CE1-CZ 3.97Å; Y129-F642 HydrophobicContact CE1-CZ 3.97Å; Y129-F642 AromaticContact CE2-CE1 3.84Å; Y129-F642 HydrophobicContact CE2-CE1 3.84Å; Y129-F642 HydrophobicContact CE2-CE2 4.35Å; Y129-F642 AromaticContact CE2-CZ 3.33Å; Y129-F642 HydrophobicContact CE2-CZ 3.33Å; Y129-F642 HydrophobicContact CG-CE2 4.43Å; Y129-F642 HydrophobicContact CG-CZ 4.11Å; Y129-F642 AromaticContact CZ-CE1 3.8Å; Y129-F642 AromaticContact CZ-CZ 3.46Å; Y129-F642 VanDerWaalsContact CZ-CZ 3.46Å; L132-F642 HydrophobicContact CB-CD2 4.31Å; L132-F642 HydrophobicContact CB-CE2 4.27Å; A136-F642 HydrophobicContact CB-CB 3.62Å; R638-F642 PolarHBondContact O-N 2.84Å; L639-F642 HydrophobicContact CD1-CD1 4.17Å; L639-F642 PolarHBondContact O-N 3.29Å; F642-S644 VanDerWaalsContact C-N 3.31Å; F642-S644 PolarHBondContact O-N 2.04Å; F642-A645 PolarHBondContact O-N 3.17Å; F642-Y646 HydrophobicContact CE2-CD2 4.06Å; F642-Y646 HydrophobicContact CZ-CD2 4.03Å; F642-Y646 HydrophobicContact CZ-CG 4.5Å; F642-Y646 WeakPolarHBondContact O-CB 3.36Å; F642-Y646 PolarHBondContact O-N 3.28Å; F642-L665 HydrophobicContact CZ-CD2 4.33Å
643	L	97.5	Very high	93.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.6	-43.1	178.3	-65.3	175.9	0	0	0	111.1	L639 Y646 Y647 L665 L670 I689 F814 V830	L639-L643 HydrophobicContact CD1-CG 4.35Å; L639-L643 HydrophobicContact CG-CD1 4.45Å; L639-L643 VanDerWaalsContact O-CG 3.31Å; L639-L643 WeakPolarHBondContact O-CG 3.35Å; L639-L643 PolarHBondContact O-N 2.94Å; L643-Y646 PolarHBondContact O-N 2.69Å; L643-Y647 HydrophobicContact CB-CD2 4.29Å; L643-Y647 HydrophobicContact CB-CE2 4.44Å; L643-Y647 HydrophobicContact CD2-CE2 4.16Å; L643-Y647 WeakPolarHBondContact O-CB 3.41Å; L643-Y647 VanDerWaalsContact O-CD2 3.23Å; L643-Y647 WeakPolarHBondContact O-CD2 3.29Å; L643-Y647 PolarHBondContact O-N 2.73Å; L643-L665 HydrophobicContact CD2-CD1 3.87Å; L643-L670 HydrophobicContact CD2-CD2 3.6Å; L643-I689 HydrophobicContact CD1-CD1 4.28Å; L643-I689 HydrophobicContact CD1-CG1 4.47Å; L643-I689 HydrophobicContact CD1-CG2 3.74Å; L643-F814 HydrophobicContact CB-CB 4.17Å; L643-F814 HydrophobicContact CB-CD2 3.81Å; L643-F814 HydrophobicContact CB-CE2 4.38Å; L643-F814 HydrophobicContact CB-CG 3.99Å; L643-F814 HydrophobicContact CD1-CD1 3.91Å; L643-F814 HydrophobicContact CD1-CD2 4.11Å; L643-F814 HydrophobicContact CD1-CE1 3.89Å; L643-F814 HydrophobicContact CD1-CE2 4.11Å; L643-F814 HydrophobicContact CD1-CG 4.02Å; L643-F814 HydrophobicContact CD1-CZ 4Å; L643-V830 HydrophobicContact CD1-CG2 3.92Å
644	S	96.9	Very high	93.1	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.3	-44.4	178.1	-60.3	0	0	0	0	112.1	S640 H641 F642 Y646 Q648 F814 F815	S640-S644 VanDerWaalsContact O-CB 3.24Å; S640-S644 WeakPolarHBondContact O-CB 3.26Å; S640-S644 PolarHBondContact O-N 2.72Å; S640-S644 PolarHBondContact O-OG 2.97Å; H641-S644 PolarHBondContact O-N 2.99Å; F642-S644 VanDerWaalsContact C-N 3.31Å; F642-S644 PolarHBondContact O-N 2.04Å; S644-Y646 VanDerWaalsContact C-N 3.31Å; S644-Y646 PolarHBondContact O-N 2.87Å; S644-Q648 VanDerWaalsContact O-CB 3.28Å; S644-Q648 WeakPolarHBondContact O-CB 3.49Å; S644-Q648 WeakPolarHBondContact O-CG 2.91Å; S644-Q648 PolarHBondContact O-N 3.06Å; S644-Q648 PolarHBondContact O-NE2 3.04Å; S644-F814 WeakPolarHBondContact OG-CA 3.42Å; S644-F814 WeakPolarHBondContact OG-CB 3.49Å; S644-F815 VanDerWaalsContact CA-O 3.22Å; S644-F815 WeakPolarHBondContact CA-O 3.38Å; S644-F815 PolarHBondContact OG-N 3.43Å; S644-F815 VanDerWaalsContact OG-N 3.07Å
645	A	95.9	Very high	92.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62	-41.4	176.6	0	0	0	0	0	111.5	L132 H641 F642 N649 Y782	L132-A645 HydrophobicContact CB-CB 4.31Å; L132-A645 HydrophobicContact CD1-CB 4.41Å; L132-A645 HydrophobicContact CD2-CB 4.24Å; H641-A645 VanDerWaalsContact O-CB 3.26Å; H641-A645 WeakPolarHBondContact O-CB 3.44Å; H641-A645 PolarHBondContact O-N 3.29Å; F642-A645 PolarHBondContact O-N 3.17Å; A645-N649 WeakPolarHBondContact O-CB 3.13Å; A645-N649 PolarHBondContact O-N 3.45Å; A645-N649 PolarHBondContact O-ND2 3.09Å; A645-Y782 HydrophobicContact CB-CD1 4.03Å; A645-Y782 HydrophobicContact CB-CD2 3.61Å; A645-Y782 HydrophobicContact CB-CE1 4.05Å; A645-Y782 HydrophobicContact CB-CE2 3.64Å; A645-Y782 HydrophobicContact CB-CG 3.83Å
646	Y	94.9	Very high	91.7	Very high	5 Å²	5	26.6 Å²	26.6	2%	0.02	15%	0.15	C	C	.	.	H	α-helix	trans	-69.1	-54.8	-178.5	-156.1	-89.9	0	0	0	111.8	Y129 L132 F642 L643 S644 Q648 N649 N650 F663 L665	Y129-Y646 HydrophobicContact CD2-CE2 4.44Å; L132-Y646 HydrophobicContact CD1-CD2 3.94Å; F642-Y646 HydrophobicContact CE2-CD2 4.06Å; F642-Y646 HydrophobicContact CZ-CD2 4.03Å; F642-Y646 HydrophobicContact CZ-CG 4.5Å; F642-Y646 WeakPolarHBondContact O-CB 3.36Å; F642-Y646 PolarHBondContact O-N 3.28Å; L643-Y646 PolarHBondContact O-N 2.69Å; S644-Y646 VanDerWaalsContact C-N 3.31Å; S644-Y646 PolarHBondContact O-N 2.87Å; Y646-Q648 PolarHBondContact O-N 3.41Å; Y646-N649 PolarHBondContact O-N 3.22Å; Y646-N650 HydrophobicContact CD1-CB 3.74Å; Y646-N650 HydrophobicContact CE1-CB 3.68Å; Y646-N650 WeakPolarHBondContact CE1-ND2 3.34Å; Y646-N650 HydrophobicContact CE2-CB 4.47Å; Y646-N650 HydrophobicContact CG-CB 4.2Å; Y646-N650 VanDerWaalsContact CZ-CG 3.44Å; Y646-N650 WeakPolarHBondContact O-CB 3.08Å; Y646-N650 PolarHBondContact O-N 3.17Å; Y646-N650 PolarHBondContact OH-OD1 3.18Å; Y646-F663 WeakPolarHBondContact CE1-O 3.45Å; Y646-F663 PolarHBondContact OH-O 2.79Å; Y646-L665 HydrophobicContact CD1-CD1 3.7Å; Y646-L665 HydrophobicContact CD1-CD2 3.76Å; Y646-L665 HydrophobicContact CD1-CG 3.48Å; Y646-L665 VanDerWaalsContact CD1-CG 3.48Å; Y646-L665 HydrophobicContact CD2-CD2 4.26Å; Y646-L665 HydrophobicContact CE1-CD1 4.17Å; Y646-L665 HydrophobicContact CE1-CD2 3.49Å; Y646-L665 VanDerWaalsContact CE1-CD2 3.49Å; Y646-L665 HydrophobicContact CE1-CG 3.4Å; Y646-L665 VanDerWaalsContact CE1-CG 3.4Å; Y646-L665 HydrophobicContact CE2-CD2 4.06Å; Y646-L665 HydrophobicContact CG-CD1 4.15Å; Y646-L665 HydrophobicContact CG-CD2 4.13Å; Y646-L665 HydrophobicContact CG-CG 4.21Å
647	Y	94.6	Very high	90.7	Very high	39 Å²	39	30.1 Å²	30.1	15%	0.153	19%	0.186	C	C	.	.	H	α-helix	trans	-70.6	-10.9	-177.6	-73.5	-67.6	0	0	0	114.5	L643 L665 F691 F814 V817 M827	L643-Y647 HydrophobicContact CB-CD2 4.29Å; L643-Y647 HydrophobicContact CB-CE2 4.44Å; L643-Y647 HydrophobicContact CD2-CE2 4.16Å; L643-Y647 WeakPolarHBondContact O-CB 3.41Å; L643-Y647 VanDerWaalsContact O-CD2 3.23Å; L643-Y647 WeakPolarHBondContact O-CD2 3.29Å; L643-Y647 PolarHBondContact O-N 2.73Å; Y647-L665 HydrophobicContact CE2-CD1 3.92Å; Y647-F691 AromaticContact CE2-CE1 3.85Å; Y647-F691 HydrophobicContact CE2-CE1 3.85Å; Y647-F691 HydrophobicContact CE2-CZ 4.14Å; Y647-F691 AromaticContact CZ-CE1 3.85Å; Y647-F691 WeakPolarHBondContact OH-CE1 3.45Å; Y647-F691 WeakPolarHBondContact OH-CZ 3.4Å; Y647-F814 HydrophobicContact CE2-CE2 4.4Å; Y647-V817 PolarHBondContact O-N 3.05Å; Y647-M827 VanDerWaalsContact CB-SD 3.55Å; Y647-M827 HydrophobicContact CD1-CE 3.69Å; Y647-M827 HydrophobicContact CD1-SD 3.96Å; Y647-M827 HydrophobicContact CD2-CE 4.13Å; Y647-M827 HydrophobicContact CD2-SD 3.78Å; Y647-M827 HydrophobicContact CE1-CE 3.84Å; Y647-M827 HydrophobicContact CE2-CE 4.27Å; Y647-M827 HydrophobicContact CE2-SD 4.44Å; Y647-M827 HydrophobicContact CG-CE 3.85Å; Y647-M827 HydrophobicContact CG-SD 3.51Å; Y647-M827 VanDerWaalsContact CG-SD 3.51Å
648	Q	93.6	Very high	90	Very high	34 Å²	34	33.2 Å²	33.2	16%	0.159	21%	0.208	C	C	.	.	H	α-helix	trans	-92.1	-25.2	173.3	-68.4	174.8	50.3	0	0	113.2	S644 Y646 Y782 R783 F815 V817 L824	S644-Q648 VanDerWaalsContact O-CB 3.28Å; S644-Q648 WeakPolarHBondContact O-CB 3.49Å; S644-Q648 WeakPolarHBondContact O-CG 2.91Å; S644-Q648 PolarHBondContact O-N 3.06Å; S644-Q648 PolarHBondContact O-NE2 3.04Å; Y646-Q648 PolarHBondContact O-N 3.41Å; Q648-Y782 VanDerWaalsContact OE1-CA 3.27Å; Q648-R783 PolarHBondContact NE2-O 3.29Å; Q648-F815 PolarHBondContact NE2-O 3.47Å; Q648-F815 VanDerWaalsContact NE2-O 3.08Å; Q648-V817 HydrophobicContact CB-CG2 4.28Å; Q648-V817 HydrophobicContact CG-CG2 4.11Å; Q648-L824 HydrophobicContact CG-CD1 3.89Å
649	N	92.3	Very high	89.4	Confident	36 Å²	36	33.3 Å²	33.3	19%	0.193	21%	0.208	C	C	.	.	H	α-helix	trans	-126.5	-12.6	-167.9	-60.4	-65.6	0	0	0	115.1	A645 Y646 V651 I780 Y781	A645-N649 WeakPolarHBondContact O-CB 3.13Å; A645-N649 PolarHBondContact O-N 3.45Å; A645-N649 PolarHBondContact O-ND2 3.09Å; Y646-N649 PolarHBondContact O-N 3.22Å; N649-V651 PolarHBondContact O-N 3.04Å; N649-I780 HydrophobicContact CB-CG2 3.79Å; N649-I780 VanDerWaalsContact ND2-CG2 3.33Å; N649-I780 WeakPolarHBondContact ND2-CG2 3.19Å; N649-I780 VanDerWaalsContact OD1-CG2 3.3Å; N649-I780 WeakPolarHBondContact OD1-CG2 3.5Å; N649-Y781 PolarHBondContact ND2-O 3.37Å; N649-Y781 PolarHBondContact OD1-O 3.29Å; N649-Y781 VanDerWaalsContact OD1-O 3.08Å
650	N	88.4	Confident	88.8	Confident	30 Å²	30	36.5 Å²	36.5	16%	0.16	22%	0.222	C	C	.	.			trans	-81.2	107.8	-177.7	-174.3	69.3	0	0	0	111.3	Y646 G662 F663	Y646-N650 HydrophobicContact CD1-CB 3.74Å; Y646-N650 HydrophobicContact CE1-CB 3.68Å; Y646-N650 WeakPolarHBondContact CE1-ND2 3.34Å; Y646-N650 HydrophobicContact CE2-CB 4.47Å; Y646-N650 HydrophobicContact CG-CB 4.2Å; Y646-N650 VanDerWaalsContact CZ-CG 3.44Å; Y646-N650 WeakPolarHBondContact O-CB 3.08Å; Y646-N650 PolarHBondContact O-N 3.17Å; Y646-N650 PolarHBondContact OH-OD1 3.18Å; N650-G662 WeakPolarHBondContact OD1-CA 3.04Å; N650-F663 PolarHBondContact ND2-O 3.06Å
651	V	83.6	Confident	87.9	Confident	81 Å²	81	36.7 Å²	36.7	49%	0.491	22%	0.223	S	C	.	.			trans	-95.3	113.7	174.1	-176.4	0	0	0	0	109.2	N649 E654 G662	N649-V651 PolarHBondContact O-N 3.04Å; V651-E654 HydrophobicContact CB-CB 4.46Å; V651-E654 HydrophobicContact CG1-CB 4.24Å; V651-G662 WeakPolarHBondContact O-CA 3.38Å
652	V	83.2	Confident	86.8	Confident	91 Å²	91	36.7 Å²	36.7	55%	0.552	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	131.4	-174.1	177.7	0	0	0	0	111.6
653	G	79.3	Confident	86.2	Confident	47 Å²	47	37.6 Å²	37.6	49%	0.485	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	11.8	171.6	0	0	0	0	0	115.1	L655 G662	G653-L655 PolarHBondContact O-N 2.9Å; G653-G662 PolarHBondContact N-O 3.11Å
654	E	82	Confident	85.8	Confident	60 Å²	60	39.1 Å²	39.1	28%	0.28	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	118.1	-179.8	-161.1	172.8	-145.3	0	0	110.9	V651 Y656 T661	V651-E654 HydrophobicContact CB-CB 4.46Å; V651-E654 HydrophobicContact CG1-CB 4.24Å; E654-Y656 HydrophobicContact CB-CE2 4.15Å; E654-Y656 VanDerWaalsContact CD-CE2 3.42Å; E654-Y656 HydrophobicContact CG-CD2 4.22Å; E654-Y656 HydrophobicContact CG-CE1 4.38Å; E654-Y656 HydrophobicContact CG-CE2 3.5Å; E654-Y656 PolarHBondContact OE1-OH 3.36Å; E654-Y656 WeakPolarHBondContact OE2-CE2 3.27Å; E654-Y656 VanDerWaalsContact OE2-CZ 3.24Å; E654-Y656 PolarHBondContact OE2-OH 3.15Å; E654-T661 PolarHBondContact N-O 3.39Å; E654-T661 PolarHBondContact O-N 2.9Å; E654-T661 VanDerWaalsContact O-O 3.09Å; E654-T661 PolarHBondContact O-OG1 3.12Å
655	L	81.5	Confident	85.6	Confident	89 Å²	89	39.3 Å²	39.3	47%	0.466	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.6	-179.7	-171.6	74.6	0	0	0	110.5	G653 K660	G653-L655 PolarHBondContact O-N 2.9Å; L655-K660 HydrophobicContact CD1-CB 4.11Å
656	Y	78.2	Confident	85.3	Confident	40 Å²	40	39.4 Å²	39.4	16%	0.157	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	95.5	179.4	-69.8	-70.8	0	0	0	110.9	E654 S658 L659 T661 Y775 F776	E654-Y656 HydrophobicContact CB-CE2 4.15Å; E654-Y656 VanDerWaalsContact CD-CE2 3.42Å; E654-Y656 HydrophobicContact CG-CD2 4.22Å; E654-Y656 HydrophobicContact CG-CE1 4.38Å; E654-Y656 HydrophobicContact CG-CE2 3.5Å; E654-Y656 PolarHBondContact OE1-OH 3.36Å; E654-Y656 WeakPolarHBondContact OE2-CE2 3.27Å; E654-Y656 VanDerWaalsContact OE2-CZ 3.24Å; E654-Y656 PolarHBondContact OE2-OH 3.15Å; Y656-S658 PolarHBondContact O-N 3.04Å; Y656-S658 VanDerWaalsContact O-N 3.14Å; Y656-L659 PolarHBondContact N-O 3.47Å; Y656-L659 WeakPolarHBondContact O-CB 3.12Å; Y656-L659 PolarHBondContact O-N 2.84Å; Y656-T661 HydrophobicContact CD2-CG2 4.04Å; Y656-T661 VanDerWaalsContact CD2-OG1 3.3Å; Y656-T661 WeakPolarHBondContact CD2-OG1 3.34Å; Y656-T661 VanDerWaalsContact CE2-OG1 3.26Å; Y656-T661 WeakPolarHBondContact CE2-OG1 3.49Å; Y656-Y775 HydrophobicContact CE2-CE2 4.44Å; Y656-F776 VanDerWaalsContact CB-CZ 3.45Å; Y656-F776 HydrophobicContact CD1-CB 4.23Å; Y656-F776 AromaticContact CD1-CD1 3.54Å; Y656-F776 HydrophobicContact CD1-CD1 3.54Å; Y656-F776 AromaticContact CD1-CD2 3.31Å; Y656-F776 HydrophobicContact CD1-CD2 3.31Å; Y656-F776 AromaticContact CD1-CE1 3.64Å; Y656-F776 HydrophobicContact CD1-CE1 3.64Å; Y656-F776 AromaticContact CD1-CE2 3.44Å; Y656-F776 HydrophobicContact CD1-CE2 3.44Å; Y656-F776 VanDerWaalsContact CD1-CE2 3.44Å; Y656-F776 AromaticContact CD1-CG 3.38Å; Y656-F776 HydrophobicContact CD1-CG 3.38Å; Y656-F776 AromaticContact CD1-CZ 3.6Å; Y656-F776 HydrophobicContact CD1-CZ 3.6Å; Y656-F776 AromaticContact CD2-CD2 3.54Å; Y656-F776 HydrophobicContact CD2-CD2 3.54Å; Y656-F776 AromaticContact CD2-CE2 3.74Å; Y656-F776 HydrophobicContact CD2-CE2 3.74Å; Y656-F776 HydrophobicContact CD2-CG 4.33Å; Y656-F776 HydrophobicContact CE1-CB 3.54Å; Y656-F776 AromaticContact CE1-CD1 3.62Å; Y656-F776 HydrophobicContact CE1-CD1 3.62Å; Y656-F776 AromaticContact CE1-CD2 3.47Å; Y656-F776 HydrophobicContact CE1-CD2 3.47Å; Y656-F776 VanDerWaalsContact CE1-CD2 3.47Å; Y656-F776 HydrophobicContact CE1-CE1 4.21Å; Y656-F776 HydrophobicContact CE1-CE2 4.11Å; Y656-F776 AromaticContact CE1-CG 3.21Å; Y656-F776 HydrophobicContact CE1-CG 3.21Å; Y656-F776 HydrophobicContact CE1-CZ 4.44Å; Y656-F776 HydrophobicContact CE2-CB 4.4Å; Y656-F776 AromaticContact CE2-CD2 3.7Å; Y656-F776 HydrophobicContact CE2-CD2 3.7Å; Y656-F776 HydrophobicContact CE2-CE2 4.37Å; Y656-F776 HydrophobicContact CE2-CG 4.21Å; Y656-F776 HydrophobicContact CG-CD1 4.33Å; Y656-F776 AromaticContact CG-CD2 3.31Å; Y656-F776 HydrophobicContact CG-CD2 3.31Å; Y656-F776 HydrophobicContact CG-CE1 4.21Å; Y656-F776 AromaticContact CG-CE2 3.19Å; Y656-F776 HydrophobicContact CG-CE2 3.19Å; Y656-F776 AromaticContact CG-CG 3.93Å; Y656-F776 HydrophobicContact CG-CG 3.93Å; Y656-F776 AromaticContact CG-CZ 3.68Å; Y656-F776 HydrophobicContact CG-CZ 3.68Å; Y656-F776 AromaticContact CZ-CD2 3.64Å; Y656-F776 AromaticContact CZ-CG 3.64Å
657	G	78.1	Confident	85.2	Confident	73 Å²	73	41.2 Å²	41.2	75%	0.753	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	-116.8	-170.2	0	0	0	0	0	109.9
658	S	82	Confident	85.2	Confident	68 Å²	68	40.4 Å²	40.4	48%	0.476	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-3	175.4	47.3	0	0	0	0	114.2	Y162 E163 Y656	Y162-S658 WeakPolarHBondContact CD1-O 3.36Å; E163-S658 PolarHBondContact N-O 2.87Å; Y656-S658 PolarHBondContact O-N 3.04Å; Y656-S658 VanDerWaalsContact O-N 3.14Å
659	L	84.9	Confident	85.3	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	117.3	-178.7	-177.4	75.8	0	0	0	110.3	L127 W161 Y162 Y656 T661 I763	L127-L659 HydrophobicContact CD2-CD1 3.97Å; L127-L659 HydrophobicContact CD2-CD2 4.08Å; W161-L659 HydrophobicContact CB-CD1 4.12Å; W161-L659 HydrophobicContact CG-CD1 4.03Å; W161-L659 CarbonylContact O-C 3.6Å; W161-L659 WeakPolarHBondContact O-CA 3.15Å; Y162-L659 HydrophobicContact CD1-CD1 4.45Å; Y162-L659 HydrophobicContact CE1-CB 4.22Å; Y162-L659 HydrophobicContact CE1-CD1 4.02Å; Y162-L659 HydrophobicContact CE2-CD1 4.43Å; Y656-L659 PolarHBondContact N-O 3.47Å; Y656-L659 WeakPolarHBondContact O-CB 3.12Å; Y656-L659 PolarHBondContact O-N 2.84Å; L659-T661 HydrophobicContact CD2-CG2 3.43Å; L659-T661 VanDerWaalsContact CD2-CG2 3.43Å; L659-T661 HydrophobicContact CG-CG2 3.62Å; L659-I763 HydrophobicContact CD2-CD1 3.64Å
660	K	84.4	Confident	85.5	Confident	66 Å²	66	37.5 Å²	37.5	29%	0.287	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	114.3	168.6	-175.3	172.6	179.2	175.4	0	109.3	W161 L655 F663	W161-K660 WeakPolarHBondContact CB-O 3.43Å; W161-K660 PolarHBondContact O-N 3.27Å; L655-K660 HydrophobicContact CD1-CB 4.11Å; K660-F663 HydrophobicContact CD-CE1 4.24Å; K660-F663 HydrophobicContact CD-CZ 3.79Å; K660-F663 HydrophobicContact CG-CE2 4.26Å; K660-F663 HydrophobicContact CG-CZ 3.99Å
661	T	78.8	Confident	85.9	Confident	4 Å²	4	36 Å²	36	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	148.5	176.5	65.9	0	0	0	0	110.9	E654 Y656 L659 Y775	E654-T661 PolarHBondContact N-O 3.39Å; E654-T661 PolarHBondContact O-N 2.9Å; E654-T661 VanDerWaalsContact O-O 3.09Å; E654-T661 PolarHBondContact O-OG1 3.12Å; Y656-T661 HydrophobicContact CD2-CG2 4.04Å; Y656-T661 VanDerWaalsContact CD2-OG1 3.3Å; Y656-T661 WeakPolarHBondContact CD2-OG1 3.34Å; Y656-T661 VanDerWaalsContact CE2-OG1 3.26Å; Y656-T661 WeakPolarHBondContact CE2-OG1 3.49Å; L659-T661 HydrophobicContact CD2-CG2 3.43Å; L659-T661 VanDerWaalsContact CD2-CG2 3.43Å; L659-T661 HydrophobicContact CG-CG2 3.62Å; T661-Y775 HydrophobicContact CG2-CE2 4.21Å
662	G	75.8	Confident	86.5	Confident	2 Å²	2	32.2 Å²	32.2	2%	0.021	20%	0.198	C	C	.	.			trans	78.8	108.7	173.7	0	0	0	0	0	115.1	N650 V651 G653	N650-G662 WeakPolarHBondContact OD1-CA 3.04Å; V651-G662 WeakPolarHBondContact O-CA 3.38Å; G653-G662 PolarHBondContact N-O 3.11Å
663	F	84.6	Confident	87.2	Confident	19 Å²	19	27.9 Å²	27.9	8%	0.083	17%	0.171	C	C	.	.			trans	-122.8	148	173.4	-67.9	-99	0	0	0	108	Q122 Y646 N650 K660	Q122-F663 HydrophobicContact CB-CE1 4.25Å; Q122-F663 WeakPolarHBondContact O-CD1 3.29Å; Q122-F663 VanDerWaalsContact O-CE1 3.26Å; Q122-F663 WeakPolarHBondContact O-CE1 3.37Å; Y646-F663 WeakPolarHBondContact CE1-O 3.45Å; Y646-F663 PolarHBondContact OH-O 2.79Å; N650-F663 PolarHBondContact ND2-O 3.06Å; K660-F663 HydrophobicContact CD-CE1 4.24Å; K660-F663 HydrophobicContact CD-CZ 3.79Å; K660-F663 HydrophobicContact CG-CE2 4.26Å; K660-F663 HydrophobicContact CG-CZ 3.99Å
664	P	88.6	Confident	88	Confident	33 Å²	33	25.6 Å²	25.6	21%	0.214	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-62.2	148.3	169.8	27	-34.1	0	0	0	110.4	N666 H699	P664-N666 PolarHBondContact O-N 2.9Å; P664-H699 VanDerWaalsContact CG-CA 3.49Å; P664-H699 HydrophobicContact CG-CB 3.87Å
665	L	91.9	Very high	88.7	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.021	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-68.3	118.6	173.1	-70.4	177.9	0	0	0	109.4	Y129 F642 L643 Y646 Y647 L670	Y129-L665 HydrophobicContact CD2-CD2 4.02Å; Y129-L665 HydrophobicContact CE2-CD2 3.89Å; F642-L665 HydrophobicContact CZ-CD2 4.33Å; L643-L665 HydrophobicContact CD2-CD1 3.87Å; Y646-L665 HydrophobicContact CD1-CD1 3.7Å; Y646-L665 HydrophobicContact CD1-CD2 3.76Å; Y646-L665 HydrophobicContact CD1-CG 3.48Å; Y646-L665 VanDerWaalsContact CD1-CG 3.48Å; Y646-L665 HydrophobicContact CD2-CD2 4.26Å; Y646-L665 HydrophobicContact CE1-CD1 4.17Å; Y646-L665 HydrophobicContact CE1-CD2 3.49Å; Y646-L665 VanDerWaalsContact CE1-CD2 3.49Å; Y646-L665 HydrophobicContact CE1-CG 3.4Å; Y646-L665 VanDerWaalsContact CE1-CG 3.4Å; Y646-L665 HydrophobicContact CE2-CD2 4.06Å; Y646-L665 HydrophobicContact CG-CD1 4.15Å; Y646-L665 HydrophobicContact CG-CD2 4.13Å; Y646-L665 HydrophobicContact CG-CG 4.21Å; Y647-L665 HydrophobicContact CE2-CD1 3.92Å; L665-L670 HydrophobicContact CD1-CD2 4.21Å
666	N	90.6	Very high	89.4	Confident	2 Å²	2	18.7 Å²	18.7	1%	0.011	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-67	140.2	170.2	-176.6	-10.5	0	0	0	110.7	P664 F668 H669 L670	P664-N666 PolarHBondContact O-N 2.9Å; N666-F668 PolarHBondContact O-N 3.19Å; N666-F668 VanDerWaalsContact O-N 3.1Å; N666-F668 VanDerWaalsContact OD1-CD2 3.3Å; N666-F668 WeakPolarHBondContact OD1-CD2 3.42Å; N666-F668 PolarHBondContact OD1-N 3.22Å; N666-H669 PolarHBondContact N-ND1 3.48Å; N666-H669 VanDerWaalsContact O-CB 3.26Å; N666-H669 WeakPolarHBondContact O-CB 3.39Å; N666-H669 PolarHBondContact O-N 3.09Å; N666-L670 PolarHBondContact O-N 3.42Å
667	R	92.9	Very high	90.3	Very high	43 Å²	43	16.8 Å²	16.8	16%	0.162	11%	0.106	C	C	.	.	H	α-helix	trans	-46.5	-37.5	168.7	57.2	-178.5	146.3	179.3	-7.5	113.7	H669 L670 F671 F696 D698 D700 F707	R667-H669 VanDerWaalsContact C-N 3.33Å; R667-H669 PolarHBondContact O-N 2.87Å; R667-L670 WeakPolarHBondContact O-CB 3.44Å; R667-L670 PolarHBondContact O-N 2.85Å; R667-F671 VanDerWaalsContact O-CD2 3.28Å; R667-F671 WeakPolarHBondContact O-CD2 3.32Å; R667-F671 PolarHBondContact O-N 3.21Å; R667-F696 HydrophobicContact CB-CZ 4.21Å; R667-D698 IonicContact CZ-OD2 2.74Å; R667-D698 PolarHBondContact N-OD1 2.69Å; R667-D698 IonicContact NE-OD2 2.83Å; R667-D698 PolarHBondContact NE-OD2 2.92Å; R667-D698 VanDerWaalsContact NE-OD2 3.09Å; R667-D698 IonicContact NH2-OD2 3.35Å; R667-D700 IonicContact NH2-OD2 2.75Å; R667-F707 HydrophobicContact CB-CE1 4.48Å; R667-F707 HydrophobicContact CB-CE2 4.16Å; R667-F707 HydrophobicContact CB-CZ 3.7Å
668	F	93.9	Very high	91.1	Very high	21 Å²	21	13.3 Å²	13.3	9%	0.092	7%	0.071	C	C	.	.	H	α-helix	trans	-72.1	-24.2	179	-61.1	-64.5	0	0	0	113.5	I110 I250 N666 L670 G672	I110-F668 HydrophobicContact CD1-CB 4.34Å; I250-F668 HydrophobicContact CD1-CD1 4.24Å; I250-F668 HydrophobicContact CD1-CE1 4.37Å; N666-F668 PolarHBondContact O-N 3.19Å; N666-F668 VanDerWaalsContact O-N 3.1Å; N666-F668 VanDerWaalsContact OD1-CD2 3.3Å; N666-F668 WeakPolarHBondContact OD1-CD2 3.42Å; N666-F668 PolarHBondContact OD1-N 3.22Å; F668-L670 VanDerWaalsContact C-N 3.32Å; F668-G672 PolarHBondContact O-N 3.41Å
669	H	95.5	Very high	91.7	Very high	8 Å²	8	10.9 Å²	10.9	4%	0.037	5%	0.052	C	C	.	.	H	α-helix	trans	-62.3	-45.5	167.9	-66.1	152	0	0	0	110.2	I110 Y123 Y129 N666 R667 G672 E673	I110-H669 WeakPolarHBondContact CD1-CD2 3.16Å; I110-H669 VanDerWaalsContact CG1-CD2 3.49Å; I110-H669 WeakPolarHBondContact CG1-CD2 3.18Å; Y123-H669 PolarHBondContact O-CE1 3.04Å; Y123-H669 PolarHBondContact O-NE2 2.9Å; Y129-H669 HydrophobicContact CE2-CB 4.18Å; N666-H669 PolarHBondContact N-ND1 3.48Å; N666-H669 VanDerWaalsContact O-CB 3.26Å; N666-H669 WeakPolarHBondContact O-CB 3.39Å; N666-H669 PolarHBondContact O-N 3.09Å; R667-H669 VanDerWaalsContact C-N 3.33Å; R667-H669 PolarHBondContact O-N 2.87Å; H669-G672 PolarHBondContact O-N 3.34Å; H669-E673 WeakPolarHBondContact O-CG 3.18Å; H669-E673 PolarHBondContact O-N 3.28Å
670	L	96.7	Very high	92	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-68.3	-42.7	-177.5	-60	174.1	0	0	0	111.5	L643 L665 N666 R667 F668 G672 E673 V674 I689 F691 F696 F707 P709	L643-L670 HydrophobicContact CD2-CD2 3.6Å; L665-L670 HydrophobicContact CD1-CD2 4.21Å; N666-L670 PolarHBondContact O-N 3.42Å; R667-L670 WeakPolarHBondContact O-CB 3.44Å; R667-L670 PolarHBondContact O-N 2.85Å; F668-L670 VanDerWaalsContact C-N 3.32Å; L670-G672 VanDerWaalsContact C-N 3.33Å; L670-G672 PolarHBondContact O-N 3.5Å; L670-E673 PolarHBondContact O-N 2.91Å; L670-V674 PolarHBondContact O-N 3.13Å; L670-I689 HydrophobicContact CB-CD1 4.01Å; L670-I689 HydrophobicContact CD2-CD1 3.83Å; L670-I689 HydrophobicContact CG-CD1 4.49Å; L670-F691 HydrophobicContact CD1-CE2 3.78Å; L670-F691 HydrophobicContact CD1-CZ 3.84Å; L670-F696 HydrophobicContact CD1-CD2 4Å; L670-F696 HydrophobicContact CD1-CE2 3.42Å; L670-F696 VanDerWaalsContact CD1-CE2 3.42Å; L670-F696 HydrophobicContact CD1-CZ 4.11Å; L670-F707 HydrophobicContact CB-CE1 4.35Å; L670-F707 HydrophobicContact CD1-CD1 4.31Å; L670-F707 HydrophobicContact CD1-CE1 3.6Å; L670-P709 HydrophobicContact CB-CG 3.92Å
671	F	96.9	Very high	92.4	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-59.7	-42.1	169.3	-80.7	-68.8	0	0	0	112.4	I250 L252 R667 E673 V674 F675 F707 P709 A723 D725	I250-F671 HydrophobicContact CD1-CB 4.19Å; I250-F671 HydrophobicContact CD1-CG 4.19Å; I250-F671 HydrophobicContact CG1-CD1 4.46Å; I250-F671 HydrophobicContact CG2-CD1 4.05Å; I250-F671 HydrophobicContact CG2-CD2 4.23Å; I250-F671 HydrophobicContact CG2-CE1 3.75Å; I250-F671 HydrophobicContact CG2-CE2 3.95Å; I250-F671 HydrophobicContact CG2-CG 4.29Å; I250-F671 HydrophobicContact CG2-CZ 3.7Å; L252-F671 HydrophobicContact CD2-CD2 4.45Å; L252-F671 HydrophobicContact CD2-CE2 3.52Å; L252-F671 HydrophobicContact CD2-CZ 3.91Å; R667-F671 VanDerWaalsContact O-CD2 3.28Å; R667-F671 WeakPolarHBondContact O-CD2 3.32Å; R667-F671 PolarHBondContact O-N 3.21Å; F671-E673 VanDerWaalsContact C-N 3.32Å; F671-E673 PolarHBondContact O-N 3.17Å; F671-V674 HydrophobicContact CD1-CG2 4.45Å; F671-V674 WeakPolarHBondContact O-CG2 3.46Å; F671-V674 PolarHBondContact O-N 3.29Å; F671-F675 HydrophobicContact CB-CD2 4.38Å; F671-F675 HydrophobicContact CB-CE2 4.15Å; F671-F675 WeakPolarHBondContact O-CB 3.03Å; F671-F675 WeakPolarHBondContact O-CD2 3.36Å; F671-F675 WeakPolarHBondContact O-CG 3.08Å; F671-F675 PolarHBondContact O-N 3.27Å; F671-F707 HydrophobicContact CE2-CE2 4.14Å; F671-F707 HydrophobicContact CE2-CZ 4.02Å; F671-P709 HydrophobicContact CD1-CB 3.63Å; F671-P709 HydrophobicContact CD2-CB 4.24Å; F671-P709 HydrophobicContact CE1-CB 3.5Å; F671-P709 HydrophobicContact CE2-CB 4.11Å; F671-P709 HydrophobicContact CG-CB 4Å; F671-P709 HydrophobicContact CZ-CB 3.75Å; F671-A723 HydrophobicContact CD1-CB 3.64Å; F671-A723 HydrophobicContact CE1-CB 3.8Å; F671-D725 HydrophobicContact CZ-CB 4.34Å
672	G	96.3	Very high	92.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60	-40.2	176.3	0	0	0	0	0	113.2	Y109 F668 H669 L670 A676	Y109-G672 VanDerWaalsContact CD1-CA 3.49Å; Y109-G672 VanDerWaalsContact CE1-CA 3.49Å; F668-G672 PolarHBondContact O-N 3.41Å; H669-G672 PolarHBondContact O-N 3.34Å; L670-G672 VanDerWaalsContact C-N 3.33Å; L670-G672 PolarHBondContact O-N 3.5Å; G672-A676 WeakPolarHBondContact O-CB 3.46Å; G672-A676 PolarHBondContact O-N 3.41Å
673	E	97.4	Very high	93.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-66.6	-43	178	-72.6	-66.6	164.9	0	0	112.1	R103 F106 Y129 R638 L639 H669 L670 F671 A676 N677	R103-E673 IonicContact CZ-OE1 3.76Å; R103-E673 IonicContact CZ-OE2 3.94Å; R103-E673 VanDerWaalsContact CZ-OE2 3.25Å; R103-E673 IonicContact NH1-OE1 3.98Å; R103-E673 PolarHBondContact NH1-OE1 2.94Å; R103-E673 IonicContact NH1-OE2 3.98Å; R103-E673 PolarHBondContact NH1-OE2 3.28Å; R103-E673 VanDerWaalsContact NH1-OE2 3.16Å; R103-E673 IonicContact NH2-OE1 3.09Å; R103-E673 IonicContact NH2-OE2 3.58Å; R103-E673 PolarHBondContact NH2-OE2 2.95Å; F106-E673 HydrophobicContact CD2-CG 3.98Å; F106-E673 HydrophobicContact CE2-CG 3.87Å; Y129-E673 WeakPolarHBondContact OH-CG 3.39Å; Y129-E673 PolarHBondContact OH-OE1 3.39Å; R638-E673 IonicContact CZ-OE2 2.78Å; R638-E673 IonicContact NH1-OE1 2.86Å; R638-E673 IonicContact NH1-OE2 3.4Å; R638-E673 PolarHBondContact NH1-OE2 2.84Å; L639-E673 HydrophobicContact CD1-CB 3.7Å; L639-E673 HydrophobicContact CD1-CG 3.86Å; L639-E673 HydrophobicContact CD2-CB 4.18Å; H669-E673 WeakPolarHBondContact O-CG 3.18Å; H669-E673 PolarHBondContact O-N 3.28Å; L670-E673 PolarHBondContact O-N 2.91Å; F671-E673 VanDerWaalsContact C-N 3.32Å; F671-E673 PolarHBondContact O-N 3.17Å; E673-A676 PolarHBondContact O-N 3.06Å; E673-N677 PolarHBondContact O-N 2.89Å; E673-N677 VanDerWaalsContact O-N 3.15Å
674	V	97.5	Very high	94	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-69.9	-37.2	176.7	-64.3	0	0	0	0	112.2	L639 L670 F671 A676 N677 V678 I689 P709 A711	L639-V674 HydrophobicContact CD2-CG1 4.46Å; L670-V674 PolarHBondContact O-N 3.13Å; F671-V674 HydrophobicContact CD1-CG2 4.45Å; F671-V674 WeakPolarHBondContact O-CG2 3.46Å; F671-V674 PolarHBondContact O-N 3.29Å; V674-A676 VanDerWaalsContact C-N 3.32Å; V674-A676 PolarHBondContact O-N 2.77Å; V674-N677 PolarHBondContact O-N 2.65Å; V674-V678 WeakPolarHBondContact O-CG2 3.4Å; V674-V678 PolarHBondContact O-N 3.09Å; V674-V678 VanDerWaalsContact O-N 3.17Å; V674-I689 HydrophobicContact CG1-CD1 4.02Å; V674-I689 HydrophobicContact CG1-CG1 3.77Å; V674-P709 HydrophobicContact CG2-CB 4.37Å; V674-A711 HydrophobicContact CB-CB 3.84Å; V674-A711 HydrophobicContact CG2-CB 3.64Å
675	F	96.8	Very high	94.3	Very high	3 Å²	3	11.2 Å²	11.2	1%	0.013	5%	0.053	C	C	.	.	H	α-helix	trans	-61.2	-42.3	172.3	-76.4	-49.7	0	0	0	112	Y109 T248 I250 F671 N677 V678 L679 A711 A721 A723	Y109-F675 HydrophobicContact CE1-CD2 4.45Å; Y109-F675 HydrophobicContact CE2-CD2 4.35Å; T248-F675 HydrophobicContact CG2-CD1 4.07Å; T248-F675 HydrophobicContact CG2-CD2 4.12Å; T248-F675 HydrophobicContact CG2-CE1 4.05Å; T248-F675 HydrophobicContact CG2-CE2 4.11Å; T248-F675 HydrophobicContact CG2-CG 4.11Å; T248-F675 HydrophobicContact CG2-CZ 4.07Å; I250-F675 HydrophobicContact CD1-CE2 3.91Å; I250-F675 HydrophobicContact CD1-CZ 4.4Å; I250-F675 HydrophobicContact CG1-CE2 3.72Å; I250-F675 HydrophobicContact CG1-CZ 3.7Å; F671-F675 HydrophobicContact CB-CD2 4.38Å; F671-F675 HydrophobicContact CB-CE2 4.15Å; F671-F675 WeakPolarHBondContact O-CB 3.03Å; F671-F675 WeakPolarHBondContact O-CD2 3.36Å; F671-F675 WeakPolarHBondContact O-CG 3.08Å; F671-F675 PolarHBondContact O-N 3.27Å; F675-N677 VanDerWaalsContact C-N 3.34Å; F675-N677 PolarHBondContact O-N 3.42Å; F675-V678 PolarHBondContact O-N 3.46Å; F675-L679 WeakPolarHBondContact O-CB 3.4Å; F675-L679 WeakPolarHBondContact O-CG 3.18Å; F675-L679 PolarHBondContact O-N 3.19Å; F675-A711 HydrophobicContact CD1-CB 3.94Å; F675-A711 HydrophobicContact CE1-CB 4.21Å; F675-A721 HydrophobicContact CD1-CB 3.59Å; F675-A721 HydrophobicContact CE1-CB 3.89Å; F675-A723 HydrophobicContact CD1-CB 4.44Å; F675-A723 HydrophobicContact CE1-CB 3.5Å; F675-A723 HydrophobicContact CE2-CB 4.15Å; F675-A723 HydrophobicContact CZ-CB 3.32Å
676	A	96.4	Very high	94.4	Very high	1 Å²	1	11 Å²	11	1%	0.008	5%	0.052	C	C	.	.	H	α-helix	trans	-60.2	-43.9	177.6	0	0	0	0	0	111.9	N102 F105 F106 G672 E673 V674 V678 S680	N102-A676 PolarHBondContact ND2-O 3.18Å; N102-A676 WeakPolarHBondContact O-CB 3.23Å; F105-A676 HydrophobicContact CB-CB 4.34Å; F106-A676 HydrophobicContact CB-CB 3.89Å; G672-A676 WeakPolarHBondContact O-CB 3.46Å; G672-A676 PolarHBondContact O-N 3.41Å; E673-A676 PolarHBondContact O-N 3.06Å; V674-A676 VanDerWaalsContact C-N 3.32Å; V674-A676 PolarHBondContact O-N 2.77Å; A676-V678 VanDerWaalsContact C-N 3.34Å; A676-V678 PolarHBondContact O-N 3.08Å; A676-S680 WeakPolarHBondContact O-CB 3.49Å; A676-S680 PolarHBondContact O-N 3.43Å; A676-S680 PolarHBondContact O-OG 3.44Å
677	N	96.4	Very high	94.7	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-59	-45.5	176.8	-71.5	-11.3	0	0	0	112.3	N102 T635 E673 V674 F675 S680 S687	N102-N677 VanDerWaalsContact ND2-CA 3.26Å; N102-N677 WeakPolarHBondContact ND2-CA 3.41Å; N102-N677 PolarHBondContact ND2-N 2.86Å; N102-N677 VanDerWaalsContact ND2-N 3.19Å; N102-N677 PolarHBondContact ND2-OD1 2.84Å; T635-N677 HydrophobicContact CG2-CB 4.2Å; T635-N677 VanDerWaalsContact CG2-OD1 3.23Å; T635-N677 WeakPolarHBondContact CG2-OD1 3.23Å; E673-N677 PolarHBondContact O-N 2.89Å; E673-N677 VanDerWaalsContact O-N 3.15Å; V674-N677 PolarHBondContact O-N 2.65Å; F675-N677 VanDerWaalsContact C-N 3.34Å; F675-N677 PolarHBondContact O-N 3.42Å; N677-S680 PolarHBondContact O-OG 3.45Å; N677-S687 PolarHBondContact ND2-OG 2.98Å; N677-S687 VanDerWaalsContact ND2-OG 3.09Å
678	V	95.1	Very high	94.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-69.3	-48.6	-178.1	175.7	0	0	0	0	110.7	V674 F675 A676 S680 I684 A711 K713	V674-V678 WeakPolarHBondContact O-CG2 3.4Å; V674-V678 PolarHBondContact O-N 3.09Å; V674-V678 VanDerWaalsContact O-N 3.17Å; F675-V678 PolarHBondContact O-N 3.46Å; A676-V678 VanDerWaalsContact C-N 3.34Å; A676-V678 PolarHBondContact O-N 3.08Å; V678-S680 PolarHBondContact O-N 3.46Å; V678-I684 HydrophobicContact CG2-CG2 4.26Å; V678-A711 HydrophobicContact CG2-CB 3.95Å; V678-K713 HydrophobicContact CG1-CB 4.38Å; V678-K713 HydrophobicContact CG1-CD 4.18Å; V678-K713 HydrophobicContact CG1-CG 3.27Å; V678-K713 WeakPolarHBondContact O-CE 3.32Å; V678-K713 PolarHBondContact O-NZ 3.22Å
679	L	93.7	Very high	95.1	Very high	16 Å²	16	7.9 Å²	7.9	8%	0.084	4%	0.039	C	C	.	.	H	α-helix	trans	-70.3	-29.4	-177	-69.3	172.5	0	0	0	113.5	F105 F268 F675 A721	F105-L679 HydrophobicContact CD1-CB 4.44Å; F105-L679 HydrophobicContact CD1-CD1 4.22Å; F105-L679 HydrophobicContact CD2-CB 4.02Å; F105-L679 HydrophobicContact CE1-CB 4.45Å; F105-L679 HydrophobicContact CE1-CD1 4.43Å; F105-L679 HydrophobicContact CE2-CB 4.01Å; F105-L679 HydrophobicContact CG-CB 4.26Å; F105-L679 HydrophobicContact CZ-CB 4.25Å; F268-L679 HydrophobicContact CZ-CD1 4.23Å; F675-L679 WeakPolarHBondContact O-CB 3.4Å; F675-L679 WeakPolarHBondContact O-CG 3.18Å; F675-L679 PolarHBondContact O-N 3.19Å; L679-A721 HydrophobicContact CD1-CB 4.49Å; L679-A721 HydrophobicContact CD2-CB 3.95Å; L679-A721 HydrophobicContact CG-CB 4.14Å
680	S	92.8	Very high	95.3	Very high	4 Å²	4	7.8 Å²	7.8	3%	0.028	4%	0.039	C	C	.	.	H	α-helix	trans	-82	-17.5	-172.8	69.8	0	0	0	0	115.5	N98 N102 A676 N677 V678	N98-S680 WeakPolarHBondContact O-CB 3.26Å; N98-S680 PolarHBondContact OD1-O 3.19Å; N102-S680 VanDerWaalsContact CA-CB 3.4Å; N102-S680 WeakPolarHBondContact CB-OG 3.45Å; N102-S680 PolarHBondContact ND2-OG 3.19Å; A676-S680 WeakPolarHBondContact O-CB 3.49Å; A676-S680 PolarHBondContact O-N 3.43Å; A676-S680 PolarHBondContact O-OG 3.44Å; N677-S680 PolarHBondContact O-OG 3.45Å; V678-S680 PolarHBondContact O-N 3.46Å
681	N	92.4	Very high	95.3	Very high	8 Å²	8	7.7 Å²	7.7	4%	0.043	4%	0.038	C	C	.	.			trans	-135	125.7	-173.8	-172.3	-13.4	0	0	0	110.7	D683 I684 K713	N681-D683 VanDerWaalsContact C-N 3.34Å; N681-D683 PolarHBondContact O-N 2.92Å; N681-D683 PolarHBondContact OD1-N 3.36Å; N681-I684 HydrophobicContact CB-CB 4.3Å; N681-I684 HydrophobicContact CB-CD1 3.82Å; N681-I684 HydrophobicContact CB-CG1 3.9Å; N681-I684 PolarHBondContact O-N 2.81Å; N681-K713 PolarHBondContact O-NZ 2.81Å
682	F	89	Confident	95.2	Very high	73 Å²	73	8.4 Å²	8.4	32%	0.32	4%	0.042	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-32.4	-179.5	-63.2	-72.8	0	0	0	113.5	Y78 I81 P82 I684	Y78-F682 HydrophobicContact CD2-CE2 4.25Å; Y78-F682 HydrophobicContact CD2-CZ 4.14Å; Y78-F682 HydrophobicContact CE1-CZ 4.07Å; Y78-F682 HydrophobicContact CE2-CE2 4.03Å; Y78-F682 AromaticContact CE2-CZ 3.57Å; Y78-F682 HydrophobicContact CE2-CZ 3.57Å; Y78-F682 AromaticContact CZ-CZ 3.53Å; I81-F682 HydrophobicContact CB-CD2 4.37Å; I81-F682 HydrophobicContact CB-CE2 4.25Å; I81-F682 HydrophobicContact CG2-CD2 3.78Å; I81-F682 HydrophobicContact CG2-CE2 4.16Å; P82-F682 HydrophobicContact CG-CD1 4.44Å; P82-F682 HydrophobicContact CG-CD2 4.18Å; P82-F682 HydrophobicContact CG-CE1 4.34Å; P82-F682 HydrophobicContact CG-CE2 4.07Å; P82-F682 HydrophobicContact CG-CG 4.35Å; P82-F682 HydrophobicContact CG-CZ 4.14Å; F682-I684 VanDerWaalsContact C-N 3.31Å; F682-I684 PolarHBondContact O-N 2.89Å
683	D	89.8	Confident	95.1	Very high	34 Å²	34	14 Å²	14	18%	0.182	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-22	-178	-65.9	-33.6	0	0	0	112.4	V632 N681 V685 R872	V632-D683 HydrophobicContact CG2-CB 4.31Å; N681-D683 VanDerWaalsContact C-N 3.34Å; N681-D683 PolarHBondContact O-N 2.92Å; N681-D683 PolarHBondContact OD1-N 3.36Å; D683-V685 PolarHBondContact O-N 3.28Å; D683-R872 IonicContact OD1-NH2 3.3Å; D683-R872 IonicContact OD2-NH2 2.64Å; D683-R872 PolarHBondContact OD2-NH2 2.96Å
684	I	94.2	Very high	94.9	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	9%	0.086	C	C	.	.			trans	-78.7	120.3	177.8	-64	-178.6	0	0	0	109.6	V632 T635 V678 N681 F682 S686 K713 V832	V632-I684 HydrophobicContact CG1-CD1 4.01Å; V632-I684 HydrophobicContact CG1-CG1 3.57Å; T635-I684 HydrophobicContact CG2-CD1 4.17Å; V678-I684 HydrophobicContact CG2-CG2 4.26Å; N681-I684 HydrophobicContact CB-CB 4.3Å; N681-I684 HydrophobicContact CB-CD1 3.82Å; N681-I684 HydrophobicContact CB-CG1 3.9Å; N681-I684 PolarHBondContact O-N 2.81Å; F682-I684 VanDerWaalsContact C-N 3.31Å; F682-I684 PolarHBondContact O-N 2.89Å; I684-S686 WeakPolarHBondContact CG2-O 3.46Å; I684-K713 PolarHBondContact O-NZ 3.4Å; I684-V832 HydrophobicContact CB-CG1 4.38Å; I684-V832 HydrophobicContact CD1-CG1 3.83Å; I684-V832 HydrophobicContact CD1-CG2 4.42Å; I684-V832 HydrophobicContact CG1-CG1 3.69Å; I684-V832 HydrophobicContact CG2-CG1 4Å
685	V	93.2	Very high	94.7	Very high	17 Å²	17	20.4 Å²	20.4	10%	0.103	10%	0.095	C	C	.	.			trans	-92.3	-43.6	177.7	-163.6	0	0	0	0	110.8	D683 Y712 K713 I803 S833 K835	D683-V685 PolarHBondContact O-N 3.28Å; V685-Y712 WeakPolarHBondContact O-CA 3.42Å; V685-K713 PolarHBondContact O-N 2.89Å; V685-K713 VanDerWaalsContact O-N 3.15Å; V685-I803 HydrophobicContact CB-CD1 4.32Å; V685-I803 HydrophobicContact CG1-CD1 3.67Å; V685-I803 HydrophobicContact CG1-CG1 4.1Å; V685-I803 HydrophobicContact CG1-CG2 3.62Å; V685-S833 PolarHBondContact N-O 3.25Å; V685-K835 HydrophobicContact CG2-CD 4.4Å; V685-K835 HydrophobicContact CG2-CG 3.48Å; V685-K835 VanDerWaalsContact CG2-CG 3.48Å
686	S	95.3	Very high	94.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	158.2	172.7	54	0	0	0	0	113.1	I684 Y710 A711 I803 V832 S833	I684-S686 WeakPolarHBondContact CG2-O 3.46Å; S686-Y710 VanDerWaalsContact CB-CZ 3.42Å; S686-Y710 WeakPolarHBondContact CB-OH 3.43Å; S686-Y710 PolarHBondContact OG-OH 2.91Å; S686-A711 CarbonylContact C-O 3.52Å; S686-A711 WeakPolarHBondContact CA-O 3.36Å; S686-A711 WeakPolarHBondContact CB-O 3.21Å; S686-I803 VanDerWaalsContact CB-CD1 3.43Å; S686-V832 WeakPolarHBondContact O-CA 3.02Å; S686-S833 PolarHBondContact O-N 3.46Å; S686-S833 WeakPolarHBondContact OG-CB 3.47Å; S686-S833 PolarHBondContact OG-OG 3.44Å
687	S	97.3	Very high	94.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	139.3	170.2	-170.4	0	0	0	0	109.4	N677 A711 T831 V832	N677-S687 PolarHBondContact ND2-OG 2.98Å; N677-S687 VanDerWaalsContact ND2-OG 3.09Å; S687-A711 PolarHBondContact N-O 2.83Å; S687-A711 PolarHBondContact O-N 3.44Å; S687-T831 VanDerWaalsContact CA-O 3.23Å; S687-T831 WeakPolarHBondContact CA-O 3.28Å; S687-T831 PolarHBondContact OG-O 2.99Å; S687-V832 WeakPolarHBondContact OG-CG2 3.38Å
688	G	97.2	Very high	94	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.6	178.5	0	0	0	0	0	112.8	P709 V830 T831	G688-P709 CarbonylContact C-O 3.56Å; G688-P709 VanDerWaalsContact CA-O 3.23Å; G688-P709 WeakPolarHBondContact CA-O 3.4Å; G688-V830 CarbonylContact O-C 3.45Å; G688-V830 WeakPolarHBondContact O-CA 3.44Å; G688-T831 PolarHBondContact N-O 3.17Å; G688-T831 PolarHBondContact O-N 3.04Å
689	I	98.3	Very high	93.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.6	164.9	-51.7	165.6	0	0	0	105.5	L639 L643 L670 V674 F691 A708 P709 F814 V830	L639-I689 HydrophobicContact CD1-CD1 4.41Å; L639-I689 HydrophobicContact CD2-CD1 3.87Å; L639-I689 HydrophobicContact CD2-CG1 3.8Å; L639-I689 HydrophobicContact CG-CD1 4.34Å; L639-I689 HydrophobicContact CG-CG1 4.43Å; L643-I689 HydrophobicContact CD1-CD1 4.28Å; L643-I689 HydrophobicContact CD1-CG1 4.47Å; L643-I689 HydrophobicContact CD1-CG2 3.74Å; L670-I689 HydrophobicContact CB-CD1 4.01Å; L670-I689 HydrophobicContact CD2-CD1 3.83Å; L670-I689 HydrophobicContact CG-CD1 4.49Å; V674-I689 HydrophobicContact CG1-CD1 4.02Å; V674-I689 HydrophobicContact CG1-CG1 3.77Å; I689-F691 HydrophobicContact CG2-CD2 4.08Å; I689-F691 HydrophobicContact CG2-CE2 3.59Å; I689-F691 HydrophobicContact CG2-CZ 4.17Å; I689-A708 CarbonylContact O-C 3.59Å; I689-A708 VanDerWaalsContact O-C 3.31Å; I689-A708 WeakPolarHBondContact O-CA 3.23Å; I689-P709 HydrophobicContact CB-CG 3.93Å; I689-P709 HydrophobicContact CD1-CG 4.21Å; I689-P709 HydrophobicContact CG1-CG 4.41Å; I689-P709 PolarHBondContact N-O 3.27Å; I689-P709 WeakPolarHBondContact O-CD 3.5Å; I689-F814 HydrophobicContact CG2-CE1 3.76Å; I689-F814 HydrophobicContact CG2-CZ 3.91Å; I689-V830 HydrophobicContact CG1-CG2 4.38Å; I689-V830 HydrophobicContact CG2-CG2 4.45Å
690	F	97.8	Very high	93	Very high	5 Å²	5	28 Å²	28	2%	0.022	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	107.4	-176.7	-62.6	-91.3	0	0	0	107.9	A708 Y710 M726 Y734 W739 F740 G828 V829 T831	F690-A708 HydrophobicContact CD1-CB 3.57Å; F690-A708 HydrophobicContact CE1-CB 4.14Å; F690-A708 HydrophobicContact CG-CB 4.28Å; F690-Y710 AromaticContact CZ-CD2 3.9Å; F690-Y710 HydrophobicContact CZ-CD2 3.9Å; F690-M726 HydrophobicContact CE1-CB 4Å; F690-M726 HydrophobicContact CE1-CG 3.91Å; F690-M726 HydrophobicContact CZ-CG 4.47Å; F690-Y734 HydrophobicContact CB-CD2 3.96Å; F690-Y734 HydrophobicContact CB-CE2 3.93Å; F690-Y734 HydrophobicContact CD1-CD1 4.36Å; F690-Y734 AromaticContact CD1-CD2 3.51Å; F690-Y734 HydrophobicContact CD1-CD2 3.51Å; F690-Y734 HydrophobicContact CD1-CE2 4.04Å; F690-Y734 AromaticContact CD1-CG 3.68Å; F690-Y734 HydrophobicContact CD1-CG 3.68Å; F690-Y734 HydrophobicContact CE1-CD2 4.44Å; F690-Y734 HydrophobicContact CE1-CG 4.22Å; F690-Y734 HydrophobicContact CG-CD2 4.16Å; F690-Y734 HydrophobicContact CG-CE2 4.5Å; F690-W739 HydrophobicContact CB-CH2 4.13Å; F690-W739 HydrophobicContact CB-CZ3 4.31Å; F690-W739 AromaticContact CD1-CH2 3.82Å; F690-W739 HydrophobicContact CD1-CH2 3.82Å; F690-W739 AromaticContact CD2-CH2 3.55Å; F690-W739 HydrophobicContact CD2-CH2 3.55Å; F690-W739 AromaticContact CD2-CZ3 3.94Å; F690-W739 HydrophobicContact CD2-CZ3 3.94Å; F690-W739 HydrophobicContact CE1-CH2 4.05Å; F690-W739 HydrophobicContact CE1-CZ2 4.43Å; F690-W739 AromaticContact CE2-CH2 3.82Å; F690-W739 HydrophobicContact CE2-CH2 3.82Å; F690-W739 HydrophobicContact CE2-CZ2 4.37Å; F690-W739 HydrophobicContact CE2-CZ3 4.47Å; F690-W739 AromaticContact CG-CH2 3.56Å; F690-W739 HydrophobicContact CG-CH2 3.56Å; F690-W739 HydrophobicContact CG-CZ3 4.1Å; F690-W739 HydrophobicContact CZ-CH2 4.05Å; F690-W739 HydrophobicContact CZ-CZ2 4.32Å; F690-F740 HydrophobicContact CB-CD2 4.23Å; F690-F740 HydrophobicContact CB-CE2 4.13Å; F690-G828 CarbonylContact O-C 3.49Å; F690-G828 WeakPolarHBondContact O-CA 3.31Å; F690-V829 PolarHBondContact N-O 3.16Å; F690-V829 PolarHBondContact O-N 3Å; F690-T831 HydrophobicContact CD2-CG2 3.93Å; F690-T831 HydrophobicContact CE2-CG2 3.76Å; F690-T831 WeakPolarHBondContact CE2-OG1 3.36Å
691	F	97.2	Very high	92.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	148.6	175.9	-72.2	-96.6	0	0	0	110.4	Y647 L670 I689 M695 F696 F707 Y734 F814 M827	Y647-F691 AromaticContact CE2-CE1 3.85Å; Y647-F691 HydrophobicContact CE2-CE1 3.85Å; Y647-F691 HydrophobicContact CE2-CZ 4.14Å; Y647-F691 AromaticContact CZ-CE1 3.85Å; Y647-F691 WeakPolarHBondContact OH-CE1 3.45Å; Y647-F691 WeakPolarHBondContact OH-CZ 3.4Å; L670-F691 HydrophobicContact CD1-CE2 3.78Å; L670-F691 HydrophobicContact CD1-CZ 3.84Å; I689-F691 HydrophobicContact CG2-CD2 4.08Å; I689-F691 HydrophobicContact CG2-CE2 3.59Å; I689-F691 HydrophobicContact CG2-CZ 4.17Å; F691-M695 HydrophobicContact CD1-CB 4.29Å; F691-F696 HydrophobicContact CB-CB 4.23Å; F691-F696 HydrophobicContact CD1-CB 3.92Å; F691-F696 HydrophobicContact CD2-CB 4.22Å; F691-F696 HydrophobicContact CD2-CD2 4.48Å; F691-F696 HydrophobicContact CE1-CB 4.33Å; F691-F696 HydrophobicContact CE1-CD2 4.1Å; F691-F696 HydrophobicContact CE2-CD2 4.07Å; F691-F696 HydrophobicContact CG-CB 3.85Å; F691-F696 AromaticContact CZ-CD2 3.85Å; F691-F696 HydrophobicContact CZ-CD2 3.85Å; F691-F707 WeakPolarHBondContact CB-O 3.26Å; F691-F707 HydrophobicContact CD2-CB 4.49Å; F691-F707 AromaticContact CD2-CD1 3.75Å; F691-F707 HydrophobicContact CD2-CD1 3.75Å; F691-F707 WeakPolarHBondContact CD2-O 3.33Å; F691-F707 AromaticContact CE2-CD1 3.83Å; F691-F707 HydrophobicContact CE2-CD1 3.83Å; F691-F707 HydrophobicContact CE2-CE1 4.27Å; F691-F707 PolarHBondContact N-O 2.8Å; F691-Y734 WeakPolarHBondContact O-CE2 3.26Å; F691-Y734 PolarHBondContact O-OH 3.04Å; F691-F814 HydrophobicContact CD1-CE2 4.05Å; F691-F814 AromaticContact CD1-CZ 3.84Å; F691-F814 HydrophobicContact CD1-CZ 3.84Å; F691-F814 AromaticContact CE1-CE2 3.69Å; F691-F814 HydrophobicContact CE1-CE2 3.69Å; F691-F814 AromaticContact CE1-CZ 3.72Å; F691-F814 HydrophobicContact CE1-CZ 3.72Å; F691-F814 HydrophobicContact CE2-CZ 4.4Å; F691-F814 HydrophobicContact CG-CZ 4.26Å; F691-F814 HydrophobicContact CZ-CE2 4.25Å; F691-F814 HydrophobicContact CZ-CZ 4.01Å; F691-M827 CarbonylContact C-O 3.46Å; F691-M827 WeakPolarHBondContact CA-O 3.42Å
692	D	95.5	Very high	92.6	Very high	15 Å²	15	33 Å²	33	8%	0.08	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-74.2	168.2	166.3	-159	5.6	0	0	0	110.3	Q694 M695 F740 K744 F826 M827	D692-Q694 PolarHBondContact O-N 3.32Å; D692-M695 HydrophobicContact CB-CG 3.82Å; D692-M695 WeakPolarHBondContact O-CB 3.28Å; D692-M695 PolarHBondContact O-N 3.22Å; D692-M695 VanDerWaalsContact O-N 3.11Å; D692-F740 HydrophobicContact CB-CZ 3.99Å; D692-K744 IonicContact OD1-NZ 3.4Å; D692-K744 PolarHBondContact OD1-NZ 3.31Å; D692-K744 WeakPolarHBondContact OD2-CE 3.38Å; D692-K744 IonicContact OD2-NZ 2.74Å; D692-K744 PolarHBondContact OD2-NZ 3.46Å; D692-F826 HydrophobicContact CB-CD1 4.24Å; D692-F826 HydrophobicContact CB-CE1 4.15Å; D692-M827 PolarHBondContact N-O 3.16Å
693	Y	94.2	Very high	92.7	Very high	118 Å²	118	33.2 Å²	33.2	46%	0.463	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	127	-177.1	-175.6	-103.3	0	0	0	112.2	M695 D705 L706	Y693-M695 PolarHBondContact O-N 3.38Å; Y693-M695 VanDerWaalsContact O-N 3.12Å; Y693-D705 CarbonylContact C-O 3.33Å; Y693-D705 WeakPolarHBondContact CA-O 3.45Å; Y693-D705 VanDerWaalsContact CD2-O 3.29Å; Y693-D705 WeakPolarHBondContact CD2-O 3.26Å; Y693-D705 HydrophobicContact CE2-CB 3.95Å; Y693-L706 HydrophobicContact CD2-CD2 4.38Å
694	Q	92.7	Very high	92.8	Very high	98 Å²	98	32.3 Å²	32.3	46%	0.458	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	24.4	179.3	-67.2	179.5	-18.1	0	0	115.3	D692 W704 D705	D692-Q694 PolarHBondContact O-N 3.32Å; Q694-W704 WeakPolarHBondContact CA-O 3.36Å; Q694-D705 PolarHBondContact N-O 2.85Å
695	M	93.2	Very high	92.7	Very high	36 Å²	36	34.3 Å²	34.3	18%	0.177	19%	0.191	C	C	.	.			trans	-93	-8.9	177.6	-65.1	-62.7	157.6	0	0	113.9	F691 D692 Y693 V818 M827	F691-M695 HydrophobicContact CD1-CB 4.29Å; D692-M695 HydrophobicContact CB-CG 3.82Å; D692-M695 WeakPolarHBondContact O-CB 3.28Å; D692-M695 PolarHBondContact O-N 3.22Å; D692-M695 VanDerWaalsContact O-N 3.11Å; Y693-M695 PolarHBondContact O-N 3.38Å; Y693-M695 VanDerWaalsContact O-N 3.12Å; M695-V818 HydrophobicContact SD-CG2 4.35Å; M695-M827 HydrophobicContact CB-CB 4.39Å; M695-M827 HydrophobicContact CB-CE 4.26Å; M695-M827 WeakPolarHBondContact CB-O 3.36Å; M695-M827 WeakPolarHBondContact O-CE 3.33Å
696	F	93.8	Very high	92.7	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122	177.6	-178.7	-111.6	0	0	0	111.6	R667 L670 F691 D698 W704 F707	R667-F696 HydrophobicContact CB-CZ 4.21Å; L670-F696 HydrophobicContact CD1-CD2 4Å; L670-F696 HydrophobicContact CD1-CE2 3.42Å; L670-F696 VanDerWaalsContact CD1-CE2 3.42Å; L670-F696 HydrophobicContact CD1-CZ 4.11Å; F691-F696 HydrophobicContact CB-CB 4.23Å; F691-F696 HydrophobicContact CD1-CB 3.92Å; F691-F696 HydrophobicContact CD2-CB 4.22Å; F691-F696 HydrophobicContact CD2-CD2 4.48Å; F691-F696 HydrophobicContact CE1-CB 4.33Å; F691-F696 HydrophobicContact CE1-CD2 4.1Å; F691-F696 HydrophobicContact CE2-CD2 4.07Å; F691-F696 HydrophobicContact CG-CB 3.85Å; F691-F696 AromaticContact CZ-CD2 3.85Å; F691-F696 HydrophobicContact CZ-CD2 3.85Å; F696-D698 HydrophobicContact CE1-CB 3.81Å; F696-D698 HydrophobicContact CZ-CB 4.04Å; F696-W704 HydrophobicContact CD1-CB 4.1Å; F696-W704 AromaticContact CD1-CD1 3.98Å; F696-W704 HydrophobicContact CD1-CD2 4.3Å; F696-W704 AromaticContact CD1-CG 3.87Å; F696-W704 HydrophobicContact CD1-CG 3.87Å; F696-W704 HydrophobicContact CE1-CD2 4.46Å; F696-W704 HydrophobicContact CE1-CG 4.35Å; F696-W704 PolarHBondContact O-N 2.81Å; F696-F707 HydrophobicContact CB-CB 3.84Å; F696-F707 HydrophobicContact CB-CD1 4.17Å; F696-F707 HydrophobicContact CB-CG 4.37Å; F696-F707 HydrophobicContact CD1-CB 3.59Å; F696-F707 AromaticContact CD1-CD1 3.39Å; F696-F707 HydrophobicContact CD1-CD1 3.39Å; F696-F707 HydrophobicContact CD1-CD2 4.17Å; F696-F707 HydrophobicContact CD1-CE1 4.11Å; F696-F707 AromaticContact CD1-CG 3.43Å; F696-F707 HydrophobicContact CD1-CG 3.43Å; F696-F707 VanDerWaalsContact CD1-CG 3.43Å; F696-F707 AromaticContact CD2-CD1 3.8Å; F696-F707 HydrophobicContact CD2-CD1 3.8Å; F696-F707 HydrophobicContact CD2-CE1 4.27Å; F696-F707 HydrophobicContact CE1-CB 4.44Å; F696-F707 AromaticContact CE1-CD1 3.62Å; F696-F707 HydrophobicContact CE1-CD1 3.62Å; F696-F707 HydrophobicContact CE1-CD2 4.2Å; F696-F707 AromaticContact CE1-CE1 3.85Å; F696-F707 HydrophobicContact CE1-CE1 3.85Å; F696-F707 HydrophobicContact CE1-CE2 4.4Å; F696-F707 AromaticContact CE1-CG 3.81Å; F696-F707 HydrophobicContact CE1-CG 3.81Å; F696-F707 HydrophobicContact CE1-CZ 4.25Å; F696-F707 HydrophobicContact CE2-CD1 4.04Å; F696-F707 HydrophobicContact CE2-CE1 4.06Å; F696-F707 HydrophobicContact CG-CB 3.89Å; F696-F707 AromaticContact CG-CD1 3.48Å; F696-F707 HydrophobicContact CG-CD1 3.48Å; F696-F707 VanDerWaalsContact CG-CD1 3.48Å; F696-F707 HydrophobicContact CG-CE1 4.31Å; F696-F707 AromaticContact CG-CG 3.89Å; F696-F707 HydrophobicContact CG-CG 3.89Å; F696-F707 AromaticContact CZ-CD1 3.95Å; F696-F707 HydrophobicContact CZ-CD1 3.95Å; F696-F707 AromaticContact CZ-CE1 3.84Å; F696-F707 HydrophobicContact CZ-CE1 3.84Å; F696-F707 HydrophobicContact CZ-CZ 4.37Å
697	T	91.1	Very high	92.7	Very high	62 Å²	62	34.3 Å²	34.3	38%	0.38	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	114.7	172.6	64.4	0	0	0	0	108.3	T703	T697-T703 HydrophobicContact CG2-CG2 3.66Å
698	D	89.8	Confident	92.7	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	19%	0.191	C	C	.	.			trans	-74.3	169.8	179	-159.1	6.9	0	0	0	110.5	R667 F696 D700 G701 T702	R667-D698 IonicContact CZ-OD2 2.74Å; R667-D698 PolarHBondContact N-OD1 2.69Å; R667-D698 IonicContact NE-OD2 2.83Å; R667-D698 PolarHBondContact NE-OD2 2.92Å; R667-D698 VanDerWaalsContact NE-OD2 3.09Å; R667-D698 IonicContact NH2-OD2 3.35Å; F696-D698 HydrophobicContact CE1-CB 3.81Å; F696-D698 HydrophobicContact CZ-CB 4.04Å; D698-D700 PolarHBondContact O-N 3.11Å; D698-D700 VanDerWaalsContact O-N 3.16Å; D698-G701 PolarHBondContact O-N 3.41Å; D698-T702 PolarHBondContact N-O 2.77Å
699	H	84.2	Confident	92.7	Very high	27 Å²	27	34.3 Å²	34.3	13%	0.125	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.4	180	65.1	-78.2	0	0	0	114.9	Y123 P664 G701	Y123-H699 HydrophobicContact CD1-CB 4.21Å; Y123-H699 AromaticContact CD1-CD2 3.7Å; Y123-H699 HydrophobicContact CE1-CB 4.14Å; Y123-H699 AromaticContact CE1-CD2 3.19Å; Y123-H699 WeakPolarHBondContact CE1-CD2 3.41Å; Y123-H699 AromaticContact CE1-CG 3.91Å; Y123-H699 AromaticContact CZ-CD2 3.34Å; Y123-H699 AromaticContact CZ-NE2 3.82Å; P664-H699 VanDerWaalsContact CG-CA 3.49Å; P664-H699 HydrophobicContact CG-CB 3.87Å; H699-G701 PolarHBondContact O-N 2.99Å
700	D	84.8	Confident	92.6	Very high	85 Å²	85	35 Å²	35	46%	0.455	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-2.4	176.2	-63.7	-37.9	0	0	0	112.8	R667 D698 T702	R667-D700 IonicContact NH2-OD2 2.75Å; D698-D700 PolarHBondContact O-N 3.11Å; D698-D700 VanDerWaalsContact O-N 3.16Å; D700-T702 PolarHBondContact O-N 2.8Å
701	G	86.7	Confident	92.6	Very high	60 Å²	60	34.8 Å²	34.8	62%	0.619	19%	0.192	S	C	*	.	S	Bend	trans	82.1	-5.6	-174.9	0	0	0	0	0	113.8	D698 H699 T703	D698-G701 PolarHBondContact O-N 3.41Å; H699-G701 PolarHBondContact O-N 2.99Å; G701-T703 PolarHBondContact O-N 3.03Å
702	T	90.3	Very high	92.5	Very high	58 Å²	58	36 Å²	36	36%	0.356	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-72.1	125.8	177.2	-49.7	0	0	0	0	110.9	I255 D698 D700	I255-T702 HydrophobicContact CD1-CG2 3.66Å; D698-T702 PolarHBondContact N-O 2.77Å; D700-T702 PolarHBondContact O-N 2.8Å
703	T	90.7	Very high	92.2	Very high	76 Å²	76	37.5 Å²	37.5	47%	0.466	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.5	173.2	61	0	0	0	0	109.9	T697 G701	T697-T703 HydrophobicContact CG2-CG2 3.66Å; G701-T703 PolarHBondContact O-N 3.03Å
704	W	91.2	Very high	91.8	Very high	15 Å²	15	33.3 Å²	33.3	6%	0.057	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	139.2	-179.2	-70	47.7	0	0	0	109.7	A253 Q694 F696 F707 D725	A253-W704 WeakPolarHBondContact O-CZ3 3.46Å; Q694-W704 WeakPolarHBondContact CA-O 3.36Å; F696-W704 HydrophobicContact CD1-CB 4.1Å; F696-W704 AromaticContact CD1-CD1 3.98Å; F696-W704 HydrophobicContact CD1-CD2 4.3Å; F696-W704 AromaticContact CD1-CG 3.87Å; F696-W704 HydrophobicContact CD1-CG 3.87Å; F696-W704 HydrophobicContact CE1-CD2 4.46Å; F696-W704 HydrophobicContact CE1-CG 4.35Å; F696-W704 PolarHBondContact O-N 2.81Å; W704-F707 HydrophobicContact CB-CB 4.3Å; W704-F707 HydrophobicContact CD2-CD2 4.37Å; W704-F707 HydrophobicContact CE3-CB 4.25Å; W704-F707 AromaticContact CE3-CD2 3.73Å; W704-F707 HydrophobicContact CE3-CD2 3.73Å; W704-F707 HydrophobicContact CE3-CG 4.37Å; W704-F707 AromaticContact CZ3-CD2 3.82Å; W704-F707 HydrophobicContact CZ3-CD2 3.82Å; W704-F707 HydrophobicContact CZ3-CE2 4.32Å; W704-D725 WeakPolarHBondContact CZ3-OD2 3.32Å
705	D	91.4	Very high	91.1	Very high	43 Å²	43	36.2 Å²	36.2	23%	0.23	21%	0.208	C	C	.	.	S	Bend	trans	-58.6	-50.4	175.1	-82	-10.1	0	0	0	111.1	Y693 Q694 R732	Y693-D705 CarbonylContact C-O 3.33Å; Y693-D705 WeakPolarHBondContact CA-O 3.45Å; Y693-D705 VanDerWaalsContact CD2-O 3.29Å; Y693-D705 WeakPolarHBondContact CD2-O 3.26Å; Y693-D705 HydrophobicContact CE2-CB 3.95Å; Q694-D705 PolarHBondContact N-O 2.85Å; D705-R732 IonicContact OD2-NH2 2.93Å
706	L	94.5	Very high	90.1	Very high	17 Å²	17	43 Å²	43	9%	0.089	24%	0.244	C	C	.	.			trans	-141.7	141.2	176.8	-71.2	176	0	0	0	107.8	Y693 S727 R732 Y734 T735	Y693-L706 HydrophobicContact CD2-CD2 4.38Å; L706-S727 VanDerWaalsContact O-CB 3.26Å; L706-S727 WeakPolarHBondContact O-CB 3.45Å; L706-R732 HydrophobicContact CD1-CG 3.6Å; L706-Y734 HydrophobicContact CB-CE1 4.25Å; L706-Y734 WeakPolarHBondContact CB-OH 3.41Å; L706-Y734 HydrophobicContact CD1-CE1 4.39Å; L706-Y734 WeakPolarHBondContact CD2-OH 3.3Å; L706-T735 HydrophobicContact CD2-CG2 3.95Å
707	F	95.5	Very high	89.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.254	C	S	.	.			trans	-146.8	128.2	176	179	-112.7	0	0	0	108.9	R667 L670 F671 F691 F696 W704 P709 D725 Y734	R667-F707 HydrophobicContact CB-CE1 4.48Å; R667-F707 HydrophobicContact CB-CE2 4.16Å; R667-F707 HydrophobicContact CB-CZ 3.7Å; L670-F707 HydrophobicContact CB-CE1 4.35Å; L670-F707 HydrophobicContact CD1-CD1 4.31Å; L670-F707 HydrophobicContact CD1-CE1 3.6Å; F671-F707 HydrophobicContact CE2-CE2 4.14Å; F671-F707 HydrophobicContact CE2-CZ 4.02Å; F691-F707 WeakPolarHBondContact CB-O 3.26Å; F691-F707 HydrophobicContact CD2-CB 4.49Å; F691-F707 AromaticContact CD2-CD1 3.75Å; F691-F707 HydrophobicContact CD2-CD1 3.75Å; F691-F707 WeakPolarHBondContact CD2-O 3.33Å; F691-F707 AromaticContact CE2-CD1 3.83Å; F691-F707 HydrophobicContact CE2-CD1 3.83Å; F691-F707 HydrophobicContact CE2-CE1 4.27Å; F691-F707 PolarHBondContact N-O 2.8Å; F696-F707 HydrophobicContact CB-CB 3.84Å; F696-F707 HydrophobicContact CB-CD1 4.17Å; F696-F707 HydrophobicContact CB-CG 4.37Å; F696-F707 HydrophobicContact CD1-CB 3.59Å; F696-F707 AromaticContact CD1-CD1 3.39Å; F696-F707 HydrophobicContact CD1-CD1 3.39Å; F696-F707 HydrophobicContact CD1-CD2 4.17Å; F696-F707 HydrophobicContact CD1-CE1 4.11Å; F696-F707 AromaticContact CD1-CG 3.43Å; F696-F707 HydrophobicContact CD1-CG 3.43Å; F696-F707 VanDerWaalsContact CD1-CG 3.43Å; F696-F707 AromaticContact CD2-CD1 3.8Å; F696-F707 HydrophobicContact CD2-CD1 3.8Å; F696-F707 HydrophobicContact CD2-CE1 4.27Å; F696-F707 HydrophobicContact CE1-CB 4.44Å; F696-F707 AromaticContact CE1-CD1 3.62Å; F696-F707 HydrophobicContact CE1-CD1 3.62Å; F696-F707 HydrophobicContact CE1-CD2 4.2Å; F696-F707 AromaticContact CE1-CE1 3.85Å; F696-F707 HydrophobicContact CE1-CE1 3.85Å; F696-F707 HydrophobicContact CE1-CE2 4.4Å; F696-F707 AromaticContact CE1-CG 3.81Å; F696-F707 HydrophobicContact CE1-CG 3.81Å; F696-F707 HydrophobicContact CE1-CZ 4.25Å; F696-F707 HydrophobicContact CE2-CD1 4.04Å; F696-F707 HydrophobicContact CE2-CE1 4.06Å; F696-F707 HydrophobicContact CG-CB 3.89Å; F696-F707 AromaticContact CG-CD1 3.48Å; F696-F707 HydrophobicContact CG-CD1 3.48Å; F696-F707 VanDerWaalsContact CG-CD1 3.48Å; F696-F707 HydrophobicContact CG-CE1 4.31Å; F696-F707 AromaticContact CG-CG 3.89Å; F696-F707 HydrophobicContact CG-CG 3.89Å; F696-F707 AromaticContact CZ-CD1 3.95Å; F696-F707 HydrophobicContact CZ-CD1 3.95Å; F696-F707 AromaticContact CZ-CE1 3.84Å; F696-F707 HydrophobicContact CZ-CE1 3.84Å; F696-F707 HydrophobicContact CZ-CZ 4.37Å; W704-F707 HydrophobicContact CB-CB 4.3Å; W704-F707 HydrophobicContact CD2-CD2 4.37Å; W704-F707 HydrophobicContact CE3-CB 4.25Å; W704-F707 AromaticContact CE3-CD2 3.73Å; W704-F707 HydrophobicContact CE3-CD2 3.73Å; W704-F707 HydrophobicContact CE3-CG 4.37Å; W704-F707 AromaticContact CZ3-CD2 3.82Å; W704-F707 HydrophobicContact CZ3-CD2 3.82Å; W704-F707 HydrophobicContact CZ3-CE2 4.32Å; F707-P709 VanDerWaalsContact CE1-CD 3.46Å; F707-P709 HydrophobicContact CE1-CG 3.82Å; F707-P709 HydrophobicContact CZ-CB 4.27Å; F707-P709 HydrophobicContact CZ-CG 4.03Å; F707-D725 WeakPolarHBondContact CD2-OD2 3.29Å; F707-Y734 PolarHBondContact N-OH 2.83Å
708	A	96.6	Very high	88.7	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.266	C	S	.	.			trans	-150.5	84.7	-175	0	0	0	0	0	112.7	I689 F690 Y710 D725 M726 Y734	I689-A708 CarbonylContact O-C 3.59Å; I689-A708 VanDerWaalsContact O-C 3.31Å; I689-A708 WeakPolarHBondContact O-CA 3.23Å; F690-A708 HydrophobicContact CD1-CB 3.57Å; F690-A708 HydrophobicContact CE1-CB 4.14Å; F690-A708 HydrophobicContact CG-CB 4.28Å; A708-Y710 PolarHBondContact O-N 2.66Å; A708-D725 PolarHBondContact N-OD1 3.29Å; A708-D725 CarbonylContact O-C 3.58Å; A708-D725 WeakPolarHBondContact O-CA 3.36Å; A708-M726 HydrophobicContact CB-CB 3.75Å; A708-M726 PolarHBondContact O-N 2.62Å; A708-Y734 HydrophobicContact CB-CD1 4.19Å; A708-Y734 HydrophobicContact CB-CE1 3.73Å; A708-Y734 HydrophobicContact CB-CE2 4.3Å
709	P	97	Very high	88.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	118.6	176.9	27	-33.2	0	0	0	110	L670 F671 V674 G688 I689 F707	L670-P709 HydrophobicContact CB-CG 3.92Å; F671-P709 HydrophobicContact CD1-CB 3.63Å; F671-P709 HydrophobicContact CD2-CB 4.24Å; F671-P709 HydrophobicContact CE1-CB 3.5Å; F671-P709 HydrophobicContact CE2-CB 4.11Å; F671-P709 HydrophobicContact CG-CB 4Å; F671-P709 HydrophobicContact CZ-CB 3.75Å; V674-P709 HydrophobicContact CG2-CB 4.37Å; G688-P709 CarbonylContact C-O 3.56Å; G688-P709 VanDerWaalsContact CA-O 3.23Å; G688-P709 WeakPolarHBondContact CA-O 3.4Å; I689-P709 HydrophobicContact CB-CG 3.93Å; I689-P709 HydrophobicContact CD1-CG 4.21Å; I689-P709 HydrophobicContact CG1-CG 4.41Å; I689-P709 PolarHBondContact N-O 3.27Å; I689-P709 WeakPolarHBondContact O-CD 3.5Å; F707-P709 VanDerWaalsContact CE1-CD 3.46Å; F707-P709 HydrophobicContact CE1-CG 3.82Å; F707-P709 HydrophobicContact CZ-CB 4.27Å; F707-P709 HydrophobicContact CZ-CG 4.03Å
710	Y	96.9	Very high	88.9	Confident	15 Å²	15	49.3 Å²	49.3	6%	0.059	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	118.4	-179.3	178.3	-100.7	0	0	0	110	S686 F690 A708 Y712 A723 I724 M726 L802	S686-Y710 VanDerWaalsContact CB-CZ 3.42Å; S686-Y710 WeakPolarHBondContact CB-OH 3.43Å; S686-Y710 PolarHBondContact OG-OH 2.91Å; F690-Y710 AromaticContact CZ-CD2 3.9Å; F690-Y710 HydrophobicContact CZ-CD2 3.9Å; A708-Y710 PolarHBondContact O-N 2.66Å; Y710-Y712 HydrophobicContact CD1-CD1 4.31Å; Y710-Y712 HydrophobicContact CE1-CD1 4.21Å; Y710-A723 CarbonylContact O-C 3.58Å; Y710-A723 WeakPolarHBondContact O-CA 3.49Å; Y710-A723 WeakPolarHBondContact O-CB 3.36Å; Y710-I724 HydrophobicContact CD1-CG1 4.24Å; Y710-I724 PolarHBondContact N-O 2.8Å; Y710-I724 PolarHBondContact O-N 2.79Å; Y710-M726 VanDerWaalsContact CB-CG 3.44Å; Y710-M726 HydrophobicContact CD1-CG 4.43Å; Y710-M726 HydrophobicContact CD1-SD 4.14Å; Y710-M726 HydrophobicContact CG-CG 3.96Å; Y710-M726 HydrophobicContact CG-SD 4.22Å; Y710-L802 HydrophobicContact CD1-CD1 3.79Å; Y710-L802 HydrophobicContact CE1-CD1 3.72Å
711	A	96.7	Very high	89.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.6	177.9	0	0	0	0	0	111.7	V674 F675 V678 S686 S687 E722 A723	V674-A711 HydrophobicContact CB-CB 3.84Å; V674-A711 HydrophobicContact CG2-CB 3.64Å; F675-A711 HydrophobicContact CD1-CB 3.94Å; F675-A711 HydrophobicContact CE1-CB 4.21Å; V678-A711 HydrophobicContact CG2-CB 3.95Å; S686-A711 CarbonylContact C-O 3.52Å; S686-A711 WeakPolarHBondContact CA-O 3.36Å; S686-A711 WeakPolarHBondContact CB-O 3.21Å; S687-A711 PolarHBondContact N-O 2.83Å; S687-A711 PolarHBondContact O-N 3.44Å; A711-E722 CarbonylContact C-O 3.52Å; A711-E722 WeakPolarHBondContact CA-O 3.18Å; A711-A723 HydrophobicContact CB-CB 3.98Å
712	Y	95.2	Very high	89.6	Confident	26 Å²	26	44.4 Å²	44.4	10%	0.102	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	159.5	177.9	63.5	-80.3	0	0	0	111.5	V685 Y710 E722 I724 L802 I803	V685-Y712 WeakPolarHBondContact O-CA 3.42Å; Y710-Y712 HydrophobicContact CD1-CD1 4.31Å; Y710-Y712 HydrophobicContact CE1-CD1 4.21Å; Y712-E722 HydrophobicContact CD1-CB 4.46Å; Y712-E722 WeakPolarHBondContact CD1-O 3.36Å; Y712-E722 HydrophobicContact CE1-CB 3.78Å; Y712-E722 HydrophobicContact CE2-CB 3.93Å; Y712-E722 VanDerWaalsContact CZ-CB 3.47Å; Y712-E722 PolarHBondContact N-O 3.24Å; Y712-E722 PolarHBondContact O-N 3.08Å; Y712-E722 VanDerWaalsContact O-N 3.12Å; Y712-E722 WeakPolarHBondContact OH-CB 3.23Å; Y712-E722 PolarHBondContact OH-OE2 3.44Å; Y712-I724 HydrophobicContact CE1-CG2 4.43Å; Y712-L802 HydrophobicContact CD1-CB 4.21Å; Y712-L802 HydrophobicContact CD1-CD1 3.53Å; Y712-L802 HydrophobicContact CD1-CG 4.47Å; Y712-L802 HydrophobicContact CD2-CB 4.35Å; Y712-L802 HydrophobicContact CE1-CB 4.12Å; Y712-L802 HydrophobicContact CE1-CD1 3.27Å; Y712-L802 HydrophobicContact CE1-CD2 4.33Å; Y712-L802 HydrophobicContact CE1-CG 4.1Å; Y712-L802 HydrophobicContact CE2-CB 4.29Å; Y712-L802 HydrophobicContact CG-CB 4.33Å; Y712-L802 HydrophobicContact CG-CD1 4.41Å; Y712-I803 HydrophobicContact CD2-CG1 4.45Å; Y712-I803 HydrophobicContact CG-CG1 4.47Å
713	K	89.3	Confident	89.9	Confident	46 Å²	46	41.8 Å²	41.8	20%	0.2	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-85.8	124.2	169	-64.2	-173.3	179.6	127.6	0	110	V678 N681 I684 V685	V678-K713 HydrophobicContact CG1-CB 4.38Å; V678-K713 HydrophobicContact CG1-CD 4.18Å; V678-K713 HydrophobicContact CG1-CG 3.27Å; V678-K713 WeakPolarHBondContact O-CE 3.32Å; V678-K713 PolarHBondContact O-NZ 3.22Å; N681-K713 PolarHBondContact O-NZ 2.81Å; I684-K713 PolarHBondContact O-NZ 3.4Å; V685-K713 PolarHBondContact O-N 2.89Å; V685-K713 VanDerWaalsContact O-N 3.15Å
714	P	86.7	Confident	90.1	Very high	30 Å²	30	38.3 Å²	38.3	20%	0.195	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-65	154.8	166.3	22.6	-23.2	0	0	0	110.5	L716 A717 A720 E722	P714-L716 PolarHBondContact O-N 2.94Å; P714-A717 HydrophobicContact CB-CB 4.37Å; P714-A717 HydrophobicContact CG-CB 3.62Å; P714-A717 PolarHBondContact O-N 2.76Å; P714-A720 WeakPolarHBondContact CD-O 3.44Å; P714-A720 HydrophobicContact CG-CB 4.47Å; P714-E722 HydrophobicContact CG-CG 4.16Å
715	L	77.5	Confident	90.2	Very high	160 Å²	160	37.6 Å²	37.6	84%	0.838	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	134.1	-178	-165.8	72.5	0	0	0	110.5	A717	L715-A717 PolarHBondContact O-N 2.76Å
716	L	72.9	Confident	90.4	Very high	177 Å²	177	36.8 Å²	36.8	93%	0.927	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	12.9	179.7	-61.8	160.2	0	0	0	116	P714	P714-L716 PolarHBondContact O-N 2.94Å
717	A	77.5	Confident	90.3	Very high	27 Å²	27	36 Å²	36	22%	0.223	20%	0.195	C	C	.	.			trans	-98.4	129.4	178.8	0	0	0	0	0	113.4	P714 L715 A720	P714-A717 HydrophobicContact CB-CB 4.37Å; P714-A717 HydrophobicContact CG-CB 3.62Å; P714-A717 PolarHBondContact O-N 2.76Å; L715-A717 PolarHBondContact O-N 2.76Å; A717-A720 HydrophobicContact CB-CB 4.08Å
718	T	78	Confident	90.1	Very high	102 Å²	102	36.3 Å²	36.3	63%	0.626	20%	0.196	S	C	*	.	S	Bend	trans	-106.5	-26.9	173.7	55.7	0	0	0	0	113.2
719	Q	86.2	Confident	89.7	Confident	76 Å²	76	40.6 Å²	40.6	36%	0.355	22%	0.219	S	C	.	.	S	Bend	trans	-116.9	10.5	-175.9	-64	176.7	-9.9	0	0	113	Y246 T247	Y246-Q719 WeakPolarHBondContact CA-O 3.35Å; Y246-Q719 HydrophobicContact CD1-CB 4.01Å; Y246-Q719 HydrophobicContact CD1-CG 4.36Å; Y246-Q719 HydrophobicContact CE1-CB 4.22Å; Y246-Q719 HydrophobicContact CE1-CG 4.07Å; T247-Q719 PolarHBondContact N-O 2.79Å
720	A	90.2	Very high	89.2	Confident	23 Å²	23	45.1 Å²	45.1	19%	0.19	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.9	176.6	0	0	0	0	0	110.4	T247 P714 A717	T247-A720 VanDerWaalsContact O-CA 3.26Å; T247-A720 WeakPolarHBondContact O-CA 3.32Å; T247-A720 VanDerWaalsContact OG1-CB 3.29Å; T247-A720 WeakPolarHBondContact OG1-CB 3.31Å; P714-A720 WeakPolarHBondContact CD-O 3.44Å; P714-A720 HydrophobicContact CG-CB 4.47Å; A717-A720 HydrophobicContact CB-CB 4.08Å
721	A	93	Very high	88.9	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.1	171.2	0	0	0	0	0	109.3	T247 T248 K249 F675 L679	T247-A721 PolarHBondContact O-N 3.16Å; T247-A721 VanDerWaalsContact O-N 3.08Å; T248-A721 VanDerWaalsContact CA-O 3.27Å; T248-A721 WeakPolarHBondContact CA-O 3.43Å; K249-A721 PolarHBondContact N-O 3.28Å; F675-A721 HydrophobicContact CD1-CB 3.59Å; F675-A721 HydrophobicContact CE1-CB 3.89Å; L679-A721 HydrophobicContact CD1-CB 4.49Å; L679-A721 HydrophobicContact CD2-CB 3.95Å; L679-A721 HydrophobicContact CG-CB 4.14Å
722	E	94.6	Very high	88.6	Confident	41 Å²	41	50.8 Å²	50.8	19%	0.192	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.1	177.9	-64.1	-175	164.1	0	0	108.2	K249 A711 Y712 P714	K249-E722 HydrophobicContact CB-CG 4.21Å; K249-E722 HydrophobicContact CD-CG 4.37Å; K249-E722 HydrophobicContact CG-CG 4.38Å; K249-E722 IonicContact NZ-OE1 3.86Å; K249-E722 PolarHBondContact NZ-OE1 3.02Å; K249-E722 CarbonylContact O-C 3.55Å; K249-E722 WeakPolarHBondContact O-CA 3.49Å; A711-E722 CarbonylContact C-O 3.52Å; A711-E722 WeakPolarHBondContact CA-O 3.18Å; Y712-E722 HydrophobicContact CD1-CB 4.46Å; Y712-E722 WeakPolarHBondContact CD1-O 3.36Å; Y712-E722 HydrophobicContact CE1-CB 3.78Å; Y712-E722 HydrophobicContact CE2-CB 3.93Å; Y712-E722 VanDerWaalsContact CZ-CB 3.47Å; Y712-E722 PolarHBondContact N-O 3.24Å; Y712-E722 PolarHBondContact O-N 3.08Å; Y712-E722 VanDerWaalsContact O-N 3.12Å; Y712-E722 WeakPolarHBondContact OH-CB 3.23Å; Y712-E722 PolarHBondContact OH-OE2 3.44Å; P714-E722 HydrophobicContact CG-CG 4.16Å
723	A	95.4	Very high	88.4	Confident	2 Å²	2	52.4 Å²	52.4	2%	0.017	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.8	175	0	0	0	0	0	111	K249 I250 Q251 F671 F675 Y710 A711	K249-A723 PolarHBondContact O-N 3.45Å; I250-A723 CarbonylContact C-O 3.45Å; I250-A723 VanDerWaalsContact CA-O 3.27Å; I250-A723 WeakPolarHBondContact CA-O 3.38Å; Q251-A723 PolarHBondContact N-O 3.07Å; F671-A723 HydrophobicContact CD1-CB 3.64Å; F671-A723 HydrophobicContact CE1-CB 3.8Å; F675-A723 HydrophobicContact CD1-CB 4.44Å; F675-A723 HydrophobicContact CE1-CB 3.5Å; F675-A723 HydrophobicContact CE2-CB 4.15Å; F675-A723 HydrophobicContact CZ-CB 3.32Å; Y710-A723 CarbonylContact O-C 3.58Å; Y710-A723 WeakPolarHBondContact O-CA 3.49Å; Y710-A723 WeakPolarHBondContact O-CB 3.36Å; A711-A723 HydrophobicContact CB-CB 3.98Å
724	I	94.7	Very high	88.6	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	153	173.9	67.7	165.3	0	0	0	109.2	Q251 Y710 Y712 M726 Y731 L802	Q251-I724 HydrophobicContact CB-CB 4.36Å; Q251-I724 HydrophobicContact CB-CG2 3.91Å; Q251-I724 WeakPolarHBondContact O-CA 3.11Å; Y710-I724 HydrophobicContact CD1-CG1 4.24Å; Y710-I724 PolarHBondContact N-O 2.8Å; Y710-I724 PolarHBondContact O-N 2.79Å; Y712-I724 HydrophobicContact CE1-CG2 4.43Å; I724-M726 HydrophobicContact CD1-SD 3.53Å; I724-M726 VanDerWaalsContact CD1-SD 3.53Å; I724-M726 HydrophobicContact CG1-CG 4.4Å; I724-M726 HydrophobicContact CG1-SD 3.95Å; I724-Y731 HydrophobicContact CD1-CD2 3.83Å; I724-Y731 HydrophobicContact CD1-CE2 3.8Å; I724-L802 HydrophobicContact CD1-CD1 3.28Å; I724-L802 HydrophobicContact CD1-CD2 4.3Å; I724-L802 HydrophobicContact CD1-CG 4.11Å; I724-L802 HydrophobicContact CG1-CD1 3.58Å; I724-L802 HydrophobicContact CG2-CD1 4.27Å
725	D	95.1	Very high	88.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	114.7	161.6	-171.2	-4.7	0	0	0	109.1	Q251 A253 F671 W704 F707 A708 S727 L728	Q251-D725 PolarHBondContact O-N 3.23Å; A253-D725 HydrophobicContact CB-CB 4.15Å; F671-D725 HydrophobicContact CZ-CB 4.34Å; W704-D725 WeakPolarHBondContact CZ3-OD2 3.32Å; F707-D725 WeakPolarHBondContact CD2-OD2 3.29Å; A708-D725 PolarHBondContact N-OD1 3.29Å; A708-D725 CarbonylContact O-C 3.58Å; A708-D725 WeakPolarHBondContact O-CA 3.36Å; D725-S727 PolarHBondContact O-N 3.09Å; D725-S727 VanDerWaalsContact O-N 3.14Å; D725-S727 WeakPolarHBondContact OD1-CB 3.28Å; D725-S727 PolarHBondContact OD1-N 3.28Å; D725-S727 PolarHBondContact OD1-OG 3.48Å; D725-S727 PolarHBondContact OD2-OG 3.06Å; D725-L728 WeakPolarHBondContact O-CD1 3.35Å; D725-L728 VanDerWaalsContact O-CG 3.23Å; D725-L728 WeakPolarHBondContact O-CG 3.25Å; D725-L728 PolarHBondContact O-N 3.48Å
726	M	93.9	Very high	89.7	Confident	25 Å²	25	50.1 Å²	50.1	12%	0.123	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-1.5	178.8	-64.5	-75.2	-75.1	0	0	112.6	F690 A708 Y710 I724 L728 Y731 R732 Y734	F690-M726 HydrophobicContact CE1-CB 4Å; F690-M726 HydrophobicContact CE1-CG 3.91Å; F690-M726 HydrophobicContact CZ-CG 4.47Å; A708-M726 HydrophobicContact CB-CB 3.75Å; A708-M726 PolarHBondContact O-N 2.62Å; Y710-M726 VanDerWaalsContact CB-CG 3.44Å; Y710-M726 HydrophobicContact CD1-CG 4.43Å; Y710-M726 HydrophobicContact CD1-SD 4.14Å; Y710-M726 HydrophobicContact CG-CG 3.96Å; Y710-M726 HydrophobicContact CG-SD 4.22Å; I724-M726 HydrophobicContact CD1-SD 3.53Å; I724-M726 VanDerWaalsContact CD1-SD 3.53Å; I724-M726 HydrophobicContact CG1-CG 4.4Å; I724-M726 HydrophobicContact CG1-SD 3.95Å; M726-L728 PolarHBondContact O-N 2.86Å; M726-Y731 HydrophobicContact CE-CD1 4.11Å; M726-Y731 HydrophobicContact CE-CG 4.03Å; M726-Y731 CarbonylContact O-C 3.57Å; M726-Y731 HydrophobicContact SD-CD1 4.43Å; M726-Y731 HydrophobicContact SD-CD2 4.27Å; M726-Y731 HydrophobicContact SD-CG 3.95Å; M726-R732 PolarHBondContact O-N 3.31Å; M726-Y734 HydrophobicContact CB-CD1 4.15Å; M726-Y734 WeakPolarHBondContact O-CD1 3.15Å
727	S	92.3	Very high	90.7	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.014	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-6.8	169.5	73.4	0	0	0	0	114.1	A253 L706 D725 R732	A253-S727 WeakPolarHBondContact CB-OG 3.22Å; L706-S727 VanDerWaalsContact O-CB 3.26Å; L706-S727 WeakPolarHBondContact O-CB 3.45Å; D725-S727 PolarHBondContact O-N 3.09Å; D725-S727 VanDerWaalsContact O-N 3.14Å; D725-S727 WeakPolarHBondContact OD1-CB 3.28Å; D725-S727 PolarHBondContact OD1-N 3.28Å; D725-S727 PolarHBondContact OD1-OG 3.48Å; D725-S727 PolarHBondContact OD2-OG 3.06Å; S727-R732 WeakPolarHBondContact O-CD 3.4Å; S727-R732 WeakPolarHBondContact O-CG 3.35Å
728	L	92.4	Very high	91.4	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.031	26%	0.255	C	S	.	.	S	Bend	trans	-59.1	143.1	173.3	-71.3	170.5	0	0	0	112.2	Q251 A253 G257 P259 D725 M726 P730 Y731 R732	Q251-L728 HydrophobicContact CG-CD1 4.18Å; A253-L728 HydrophobicContact CB-CD2 3.54Å; A253-L728 HydrophobicContact CB-CG 3.88Å; G257-L728 WeakPolarHBondContact O-CA 3.42Å; P259-L728 HydrophobicContact CB-CD2 3.91Å; D725-L728 WeakPolarHBondContact O-CD1 3.35Å; D725-L728 VanDerWaalsContact O-CG 3.23Å; D725-L728 WeakPolarHBondContact O-CG 3.25Å; D725-L728 PolarHBondContact O-N 3.48Å; M726-L728 PolarHBondContact O-N 2.86Å; L728-P730 VanDerWaalsContact C-CD 3.43Å; L728-P730 HydrophobicContact CB-CG 4.49Å; L728-P730 VanDerWaalsContact O-N 3.09Å; L728-Y731 CarbonylContact O-C 3.51Å; L728-Y731 PolarHBondContact O-N 3.31Å; L728-R732 WeakPolarHBondContact O-CB 3.28Å; L728-R732 PolarHBondContact O-N 3.14Å
729	N	88.5	Confident	92.3	Very high	89 Å²	89	44.4 Å²	44.4	48%	0.476	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-36	-175.7	-72.9	-26.1	0	0	0	117.4	G257 D258 Y731	G257-N729 PolarHBondContact O-N 3.46Å; G257-N729 PolarHBondContact O-ND2 2.96Å; D258-N729 PolarHBondContact OD1-ND2 3.27Å; N729-Y731 VanDerWaalsContact C-N 3.31Å; N729-Y731 PolarHBondContact O-N 2.82Å
730	P	85.7	Confident	92.8	Very high	96 Å²	96	40.8 Å²	40.8	62%	0.623	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-18.4	173.2	26	-34.7	0	0	0	115.1	L728	L728-P730 VanDerWaalsContact C-CD 3.43Å; L728-P730 HydrophobicContact CB-CG 4.49Å; L728-P730 VanDerWaalsContact O-N 3.09Å
731	Y	90.9	Very high	93.1	Very high	57 Å²	57	48.4 Å²	48.4	22%	0.224	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	2.2	-173.1	-55.6	-62.3	0	0	0	113.9	I724 M726 L728 N729 D733 Y734	I724-Y731 HydrophobicContact CD1-CD2 3.83Å; I724-Y731 HydrophobicContact CD1-CE2 3.8Å; M726-Y731 HydrophobicContact CE-CD1 4.11Å; M726-Y731 HydrophobicContact CE-CG 4.03Å; M726-Y731 CarbonylContact O-C 3.57Å; M726-Y731 HydrophobicContact SD-CD1 4.43Å; M726-Y731 HydrophobicContact SD-CD2 4.27Å; M726-Y731 HydrophobicContact SD-CG 3.95Å; L728-Y731 CarbonylContact O-C 3.51Å; L728-Y731 PolarHBondContact O-N 3.31Å; N729-Y731 VanDerWaalsContact C-N 3.31Å; N729-Y731 PolarHBondContact O-N 2.82Å; Y731-D733 PolarHBondContact O-N 3.21Å; Y731-Y734 PolarHBondContact O-N 2.84Å
732	R	90.1	Very high	93.2	Very high	77 Å²	77	50.9 Å²	50.9	29%	0.291	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-63.8	-12.9	-174.8	-158.4	168.8	-170.4	-114.1	3.7	113.2	D705 L706 M726 S727 L728 Y734	D705-R732 IonicContact OD2-NH2 2.93Å; L706-R732 HydrophobicContact CD1-CG 3.6Å; M726-R732 PolarHBondContact O-N 3.31Å; S727-R732 WeakPolarHBondContact O-CD 3.4Å; S727-R732 WeakPolarHBondContact O-CG 3.35Å; L728-R732 WeakPolarHBondContact O-CB 3.28Å; L728-R732 PolarHBondContact O-N 3.14Å; R732-Y734 PolarHBondContact O-N 2.98Å
733	D	91.4	Very high	93.2	Very high	60 Å²	60	49 Å²	49	32%	0.321	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-75.5	5.5	174.8	76.5	-37.3	0	0	0	113.7	Y731 T735 E736 K737	Y731-D733 PolarHBondContact O-N 3.21Å; D733-T735 PolarHBondContact O-N 3.22Å; D733-E736 WeakPolarHBondContact O-CB 3.42Å; D733-E736 PolarHBondContact O-N 2.84Å; D733-K737 IonicContact OD1-NZ 3.04Å; D733-K737 IonicContact OD2-NZ 2.78Å; D733-K737 PolarHBondContact OD2-NZ 3.41Å
734	Y	93.9	Very high	93.2	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-55.9	-27.7	-177.4	69.5	-102	0	0	0	113.9	F690 F691 L706 F707 A708 M726 Y731 R732 E736 K737 F740	F690-Y734 HydrophobicContact CB-CD2 3.96Å; F690-Y734 HydrophobicContact CB-CE2 3.93Å; F690-Y734 HydrophobicContact CD1-CD1 4.36Å; F690-Y734 AromaticContact CD1-CD2 3.51Å; F690-Y734 HydrophobicContact CD1-CD2 3.51Å; F690-Y734 HydrophobicContact CD1-CE2 4.04Å; F690-Y734 AromaticContact CD1-CG 3.68Å; F690-Y734 HydrophobicContact CD1-CG 3.68Å; F690-Y734 HydrophobicContact CE1-CD2 4.44Å; F690-Y734 HydrophobicContact CE1-CG 4.22Å; F690-Y734 HydrophobicContact CG-CD2 4.16Å; F690-Y734 HydrophobicContact CG-CE2 4.5Å; F691-Y734 WeakPolarHBondContact O-CE2 3.26Å; F691-Y734 PolarHBondContact O-OH 3.04Å; L706-Y734 HydrophobicContact CB-CE1 4.25Å; L706-Y734 WeakPolarHBondContact CB-OH 3.41Å; L706-Y734 HydrophobicContact CD1-CE1 4.39Å; L706-Y734 WeakPolarHBondContact CD2-OH 3.3Å; F707-Y734 PolarHBondContact N-OH 2.83Å; A708-Y734 HydrophobicContact CB-CD1 4.19Å; A708-Y734 HydrophobicContact CB-CE1 3.73Å; A708-Y734 HydrophobicContact CB-CE2 4.3Å; M726-Y734 HydrophobicContact CB-CD1 4.15Å; M726-Y734 WeakPolarHBondContact O-CD1 3.15Å; Y731-Y734 PolarHBondContact O-N 2.84Å; R732-Y734 PolarHBondContact O-N 2.98Å; Y734-E736 PolarHBondContact O-N 3.21Å; Y734-K737 WeakPolarHBondContact O-CB 3.49Å; Y734-K737 WeakPolarHBondContact O-CG 3.38Å; Y734-K737 PolarHBondContact O-N 2.87Å; Y734-F740 HydrophobicContact CE2-CE2 4.43Å
735	T	93.7	Very high	93.2	Very high	42 Å²	42	56.2 Å²	56.2	26%	0.258	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-69	-21	176.8	60.9	0	0	0	0	113.1	L706 D733 F740	L706-T735 HydrophobicContact CD2-CG2 3.95Å; D733-T735 PolarHBondContact O-N 3.22Å; T735-F740 HydrophobicContact CG2-CD1 4.45Å; T735-F740 HydrophobicContact CG2-CE1 3.98Å; T735-F740 HydrophobicContact CG2-CZ 4.13Å; T735-F740 VanDerWaalsContact O-CD1 3.26Å; T735-F740 WeakPolarHBondContact O-CD1 3.25Å
736	E	93.6	Very high	93.1	Very high	145 Å²	145	62 Å²	62	68%	0.678	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-87.4	-13.4	177.9	-55.6	-173.1	166.5	0	0	112.2	D733 Y734	D733-E736 WeakPolarHBondContact O-CB 3.42Å; D733-E736 PolarHBondContact O-N 2.84Å; Y734-E736 PolarHBondContact O-N 3.21Å
737	K	93.8	Very high	93.1	Very high	79 Å²	79	61 Å²	61	34%	0.343	30%	0.299	S	S	.	.	S	Bend	trans	-59.7	145.4	-179.8	-60.7	-62.5	-171.2	-149.9	0	110.9	D733 Y734 W739 F740 R741	D733-K737 IonicContact OD1-NZ 3.04Å; D733-K737 IonicContact OD2-NZ 2.78Å; D733-K737 PolarHBondContact OD2-NZ 3.41Å; Y734-K737 WeakPolarHBondContact O-CB 3.49Å; Y734-K737 WeakPolarHBondContact O-CG 3.38Å; Y734-K737 PolarHBondContact O-N 2.87Å; K737-W739 VanDerWaalsContact C-N 3.29Å; K737-W739 HydrophobicContact CB-CD2 4.33Å; K737-W739 HydrophobicContact CB-CZ2 3.91Å; K737-W739 HydrophobicContact CG-CZ2 4.14Å; K737-W739 PolarHBondContact O-N 2.86Å; K737-W739 VanDerWaalsContact O-N 3.16Å; K737-F740 PolarHBondContact O-N 2.87Å; K737-R741 PolarHBondContact O-N 2.94Å; K737-R741 VanDerWaalsContact O-N 3.09Å
738	P	93	Very high	93	Very high	86 Å²	86	64.4 Å²	64.4	56%	0.558	33%	0.327	S	S	*	.	H	α-helix	trans	-55.7	-40.3	-172.3	-27.6	34.4	0	0	0	114	T742	P738-T742 WeakPolarHBondContact O-CB 3.15Å; P738-T742 PolarHBondContact O-N 2.82Å; P738-T742 PolarHBondContact O-OG1 2.94Å
739	W	95.4	Very high	92.6	Very high	20 Å²	20	69.4 Å²	69.4	8%	0.076	36%	0.363	C	S	.	.	H	α-helix	trans	-67	-37.5	-180	51.4	-98.3	0	0	0	112.6	F690 K737 L743 Y791 T793 A811 V829 T831	F690-W739 HydrophobicContact CB-CH2 4.13Å; F690-W739 HydrophobicContact CB-CZ3 4.31Å; F690-W739 AromaticContact CD1-CH2 3.82Å; F690-W739 HydrophobicContact CD1-CH2 3.82Å; F690-W739 AromaticContact CD2-CH2 3.55Å; F690-W739 HydrophobicContact CD2-CH2 3.55Å; F690-W739 AromaticContact CD2-CZ3 3.94Å; F690-W739 HydrophobicContact CD2-CZ3 3.94Å; F690-W739 HydrophobicContact CE1-CH2 4.05Å; F690-W739 HydrophobicContact CE1-CZ2 4.43Å; F690-W739 AromaticContact CE2-CH2 3.82Å; F690-W739 HydrophobicContact CE2-CH2 3.82Å; F690-W739 HydrophobicContact CE2-CZ2 4.37Å; F690-W739 HydrophobicContact CE2-CZ3 4.47Å; F690-W739 AromaticContact CG-CH2 3.56Å; F690-W739 HydrophobicContact CG-CH2 3.56Å; F690-W739 HydrophobicContact CG-CZ3 4.1Å; F690-W739 HydrophobicContact CZ-CH2 4.05Å; F690-W739 HydrophobicContact CZ-CZ2 4.32Å; K737-W739 VanDerWaalsContact C-N 3.29Å; K737-W739 HydrophobicContact CB-CD2 4.33Å; K737-W739 HydrophobicContact CB-CZ2 3.91Å; K737-W739 HydrophobicContact CG-CZ2 4.14Å; K737-W739 PolarHBondContact O-N 2.86Å; K737-W739 VanDerWaalsContact O-N 3.16Å; W739-L743 WeakPolarHBondContact O-CG 3.46Å; W739-L743 PolarHBondContact O-N 3.46Å; W739-Y791 HydrophobicContact CB-CD1 3.71Å; W739-Y791 HydrophobicContact CB-CE1 3.94Å; W739-T793 HydrophobicContact CB-CG2 3.74Å; W739-T793 HydrophobicContact CG-CG2 4.06Å; W739-A811 HydrophobicContact CB-CB 3.95Å; W739-A811 HydrophobicContact CE3-CB 4.24Å; W739-A811 HydrophobicContact CG-CB 4.48Å; W739-V829 HydrophobicContact CE3-CB 4.33Å; W739-V829 HydrophobicContact CE3-CG1 3.88Å; W739-V829 HydrophobicContact CZ3-CB 3.95Å; W739-V829 HydrophobicContact CZ3-CG1 3.89Å; W739-V829 HydrophobicContact CZ3-CG2 4.44Å; W739-T831 HydrophobicContact CD2-CG2 4.33Å; W739-T831 HydrophobicContact CE3-CG2 3.92Å; W739-T831 HydrophobicContact CH2-CG2 4.17Å; W739-T831 HydrophobicContact CZ3-CG2 3.8Å
740	F	97.1	Very high	92.6	Very high	1 Å²	1	68.3 Å²	68.3	0%	0.004	36%	0.362	C	S	.	.	H	α-helix	trans	-70.6	-49.8	178.9	-167.7	-85.3	0	0	0	110.4	F690 D692 Y734 T735 K737 T742 L743 K744 F826 V829	F690-F740 HydrophobicContact CB-CD2 4.23Å; F690-F740 HydrophobicContact CB-CE2 4.13Å; D692-F740 HydrophobicContact CB-CZ 3.99Å; Y734-F740 HydrophobicContact CE2-CE2 4.43Å; T735-F740 HydrophobicContact CG2-CD1 4.45Å; T735-F740 HydrophobicContact CG2-CE1 3.98Å; T735-F740 HydrophobicContact CG2-CZ 4.13Å; T735-F740 VanDerWaalsContact O-CD1 3.26Å; T735-F740 WeakPolarHBondContact O-CD1 3.25Å; K737-F740 PolarHBondContact O-N 2.87Å; F740-T742 PolarHBondContact O-N 3.12Å; F740-L743 PolarHBondContact O-N 3.32Å; F740-K744 HydrophobicContact CD1-CD 4.45Å; F740-K744 HydrophobicContact CE1-CD 3.88Å; F740-K744 VanDerWaalsContact O-CB 3.29Å; F740-K744 WeakPolarHBondContact O-CB 3.49Å; F740-K744 PolarHBondContact O-N 3.17Å; F740-F826 HydrophobicContact CE1-CE1 4.25Å; F740-F826 HydrophobicContact CE2-CE1 4.42Å; F740-F826 HydrophobicContact CE2-CZ 4.48Å; F740-F826 AromaticContact CZ-CE1 3.9Å; F740-F826 HydrophobicContact CZ-CE1 3.9Å; F740-F826 HydrophobicContact CZ-CZ 4.33Å; F740-V829 HydrophobicContact CD2-CB 4.2Å; F740-V829 HydrophobicContact CD2-CG2 3.76Å; F740-V829 HydrophobicContact CE2-CG2 4.07Å; F740-V829 HydrophobicContact CG-CG2 4.44Å
741	R	95.8	Very high	92.8	Very high	183 Å²	183	67.2 Å²	67.2	69%	0.691	35%	0.346	S	S	*	.	H	α-helix	trans	-62.4	-40.9	179.6	-172.3	177.4	-178.6	174.3	1.6	112.3	K737 S745	K737-R741 PolarHBondContact O-N 2.94Å; K737-R741 VanDerWaalsContact O-N 3.09Å; R741-S745 VanDerWaalsContact O-CB 3.29Å; R741-S745 WeakPolarHBondContact O-CB 3.41Å; R741-S745 PolarHBondContact O-N 3.46Å; R741-S745 PolarHBondContact O-OG 3.48Å
742	T	95.1	Very high	92.5	Very high	53 Å²	53	71.2 Å²	71.2	33%	0.325	37%	0.366	S	S	.	.	H	α-helix	trans	-63.5	-46.7	178.4	-60.1	0	0	0	0	110.9	P738 F740 S745 R746 Y791	P738-T742 WeakPolarHBondContact O-CB 3.15Å; P738-T742 PolarHBondContact O-N 2.82Å; P738-T742 PolarHBondContact O-OG1 2.94Å; F740-T742 PolarHBondContact O-N 3.12Å; T742-S745 PolarHBondContact O-OG 3.17Å; T742-R746 VanDerWaalsContact O-CB 3.23Å; T742-R746 WeakPolarHBondContact O-CB 3.48Å; T742-R746 PolarHBondContact O-N 3.3Å; T742-Y791 HydrophobicContact CG2-CD2 4.12Å; T742-Y791 HydrophobicContact CG2-CE2 4.14Å
743	L	96	Very high	92.3	Very high	1 Å²	1	70.9 Å²	70.9	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-68.3	-43.5	178.1	-70.5	173.8	0	0	0	112.1	W739 F740 S745 R746 W747 A811 F826 V829	W739-L743 WeakPolarHBondContact O-CG 3.46Å; W739-L743 PolarHBondContact O-N 3.46Å; F740-L743 PolarHBondContact O-N 3.32Å; L743-S745 PolarHBondContact O-N 3.21Å; L743-R746 PolarHBondContact O-N 3.37Å; L743-W747 PolarHBondContact O-N 2.97Å; L743-W747 VanDerWaalsContact O-N 3.11Å; L743-A811 HydrophobicContact CD1-CB 3.73Å; L743-F826 HydrophobicContact CB-CE2 4.35Å; L743-V829 HydrophobicContact CB-CG2 4.28Å; L743-V829 HydrophobicContact CD1-CB 4.47Å; L743-V829 HydrophobicContact CD1-CG1 3.68Å; L743-V829 HydrophobicContact CD1-CG2 3.91Å
744	K	95.6	Very high	92.4	Very high	83 Å²	83	68.5 Å²	68.5	36%	0.361	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-45.6	177.7	-177.4	168.3	176.8	169.3	0	111.9	D692 F740 W747 A748 F826	D692-K744 IonicContact OD1-NZ 3.4Å; D692-K744 PolarHBondContact OD1-NZ 3.31Å; D692-K744 WeakPolarHBondContact OD2-CE 3.38Å; D692-K744 IonicContact OD2-NZ 2.74Å; D692-K744 PolarHBondContact OD2-NZ 3.46Å; F740-K744 HydrophobicContact CD1-CD 4.45Å; F740-K744 HydrophobicContact CE1-CD 3.88Å; F740-K744 VanDerWaalsContact O-CB 3.29Å; F740-K744 WeakPolarHBondContact O-CB 3.49Å; F740-K744 PolarHBondContact O-N 3.17Å; K744-W747 PolarHBondContact O-N 2.88Å; K744-A748 WeakPolarHBondContact O-CB 3.42Å; K744-A748 PolarHBondContact O-N 3.45Å; K744-A748 VanDerWaalsContact O-N 3.12Å; K744-F826 HydrophobicContact CB-CE1 4.01Å; K744-F826 HydrophobicContact CB-CZ 4.01Å; K744-F826 HydrophobicContact CD-CE1 4.31Å; K744-F826 HydrophobicContact CG-CD1 4.28Å; K744-F826 HydrophobicContact CG-CE1 4.14Å
745	S	94.6	Very high	92.3	Very high	75 Å²	75	70.6 Å²	70.6	52%	0.524	37%	0.373	S	S	.	.	H	α-helix	trans	-68.2	-40.9	178.3	58.3	0	0	0	0	112.8	R741 T742 L743 W747 A748	R741-S745 VanDerWaalsContact O-CB 3.29Å; R741-S745 WeakPolarHBondContact O-CB 3.41Å; R741-S745 PolarHBondContact O-N 3.46Å; R741-S745 PolarHBondContact O-OG 3.48Å; T742-S745 PolarHBondContact O-OG 3.17Å; L743-S745 PolarHBondContact O-N 3.21Å; S745-W747 VanDerWaalsContact C-N 3.28Å; S745-W747 PolarHBondContact O-N 3.3Å; S745-A748 PolarHBondContact O-N 3.23Å
746	R	93.3	Very high	92.2	Very high	120 Å²	120	73.9 Å²	73.9	45%	0.453	38%	0.381	S	S	.	.	H	α-helix	trans	-57	-41.4	175.8	-178.1	178.2	-178.1	173.5	3.9	112.2	T742 L743 E789	T742-R746 VanDerWaalsContact O-CB 3.23Å; T742-R746 WeakPolarHBondContact O-CB 3.48Å; T742-R746 PolarHBondContact O-N 3.3Å; L743-R746 PolarHBondContact O-N 3.37Å; R746-E789 PolarHBondContact NH1-O 3.49Å; R746-E789 VanDerWaalsContact NH1-O 3.09Å
747	W	92.8	Very high	92.2	Very high	5 Å²	5	67.1 Å²	67.1	2%	0.019	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	8	-174.4	-66	108.5	0	0	0	114.8	L743 K744 S745 R751 S753 L754 E789 F815 F826	L743-W747 PolarHBondContact O-N 2.97Å; L743-W747 VanDerWaalsContact O-N 3.11Å; K744-W747 PolarHBondContact O-N 2.88Å; S745-W747 VanDerWaalsContact C-N 3.28Å; S745-W747 PolarHBondContact O-N 3.3Å; W747-R751 HydrophobicContact CE3-CB 4.44Å; W747-R751 HydrophobicContact CE3-CG 3.97Å; W747-S753 VanDerWaalsContact CH2-OG 3.23Å; W747-S753 WeakPolarHBondContact CH2-OG 3.46Å; W747-S753 WeakPolarHBondContact CZ3-OG 3.43Å; W747-L754 HydrophobicContact CE3-CD2 4.35Å; W747-L754 HydrophobicContact CH2-CD2 3.29Å; W747-L754 HydrophobicContact CH2-CG 3.87Å; W747-L754 HydrophobicContact CZ2-CD2 3.83Å; W747-L754 HydrophobicContact CZ3-CD2 3.62Å; W747-L754 HydrophobicContact CZ3-CG 3.73Å; W747-E789 WeakPolarHBondContact CH2-OE1 3.49Å; W747-E789 HydrophobicContact CZ2-CB 3.95Å; W747-E789 HydrophobicContact CZ2-CG 4.23Å; W747-F815 HydrophobicContact CB-CE1 4.02Å; W747-F815 HydrophobicContact CB-CZ 4.26Å; W747-F815 HydrophobicContact CD2-CE1 4.28Å; W747-F815 AromaticContact CD2-CZ 3.73Å; W747-F815 HydrophobicContact CD2-CZ 3.73Å; W747-F815 HydrophobicContact CE3-CE1 4.48Å; W747-F815 HydrophobicContact CE3-CZ 4.07Å; W747-F815 HydrophobicContact CG-CE1 4.1Å; W747-F815 AromaticContact CG-CZ 3.83Å; W747-F815 HydrophobicContact CG-CZ 3.83Å; W747-F826 HydrophobicContact CB-CD2 4.49Å
748	A	89.6	Confident	92.2	Very high	74 Å²	74	64.2 Å²	64.2	61%	0.612	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-35.9	176.8	0	0	0	0	0	112.4	K744 S745	K744-A748 WeakPolarHBondContact O-CB 3.42Å; K744-A748 PolarHBondContact O-N 3.45Å; K744-A748 VanDerWaalsContact O-N 3.12Å; S745-A748 PolarHBondContact O-N 3.23Å
749	S	85.7	Confident	92.3	Very high	110 Å²	110	60.1 Å²	60.1	77%	0.769	31%	0.311	S	S	*	.	S	Bend	trans	-87.1	-55.7	-171.9	59.3	0	0	0	0	113.7
750	S	87.8	Confident	92.2	Very high	67 Å²	67	60.8 Å²	60.8	47%	0.469	32%	0.315	S	S	.	.			trans	-139.4	142.6	-176.1	-177.7	0	0	0	0	111.6	Q752	S750-Q752 PolarHBondContact OG-N 3.15Å
751	R	89.7	Confident	92.1	Very high	73 Å²	73	60.8 Å²	60.8	28%	0.275	32%	0.315	S	S	.	.			trans	-124.4	18.6	178.1	-69	163.1	-66	-140.2	2.9	112.1	W747 S753 L754 F815 L824	W747-R751 HydrophobicContact CE3-CB 4.44Å; W747-R751 HydrophobicContact CE3-CG 3.97Å; R751-S753 VanDerWaalsContact C-N 3.34Å; R751-L754 HydrophobicContact CB-CD1 3.83Å; R751-L754 HydrophobicContact CB-CG 4.44Å; R751-L754 HydrophobicContact CG-CD1 4.37Å; R751-L754 WeakPolarHBondContact O-CG 3.49Å; R751-F815 HydrophobicContact CG-CD1 4.49Å; R751-F815 HydrophobicContact CG-CE1 4.1Å; R751-L824 HydrophobicContact CB-CD2 4.25Å; R751-L824 PolarHBondContact NE-O 3.22Å; R751-L824 PolarHBondContact NH1-O 3.08Å; R751-L824 PolarHBondContact NH2-O 3.01Å
752	Q	83.7	Confident	92	Very high	141 Å²	141	54.5 Å²	54.5	66%	0.659	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-23.2	-175.3	-170.8	61.6	23.5	0	0	112.7	S750 L754	S750-Q752 PolarHBondContact OG-N 3.15Å; Q752-L754 PolarHBondContact O-N 2.95Å
753	S	87.1	Confident	91.8	Very high	70 Å²	70	52 Å²	52	49%	0.49	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-12.9	178.4	68.2	0	0	0	0	114	W747 R751 E789	W747-S753 VanDerWaalsContact CH2-OG 3.23Å; W747-S753 WeakPolarHBondContact CH2-OG 3.46Å; W747-S753 WeakPolarHBondContact CZ3-OG 3.43Å; R751-S753 VanDerWaalsContact C-N 3.34Å; S753-E789 PolarHBondContact OG-OE1 3.34Å
754	L	93.5	Very high	91.5	Very high	10 Å²	10	52 Å²	52	5%	0.052	28%	0.276	C	S	.	.	S	Bend	trans	-59.7	139	179.7	-64.6	174.4	0	0	0	111.2	W747 R751 Q752 R783 V784 P785 F815 L824	W747-L754 HydrophobicContact CE3-CD2 4.35Å; W747-L754 HydrophobicContact CH2-CD2 3.29Å; W747-L754 HydrophobicContact CH2-CG 3.87Å; W747-L754 HydrophobicContact CZ2-CD2 3.83Å; W747-L754 HydrophobicContact CZ3-CD2 3.62Å; W747-L754 HydrophobicContact CZ3-CG 3.73Å; R751-L754 HydrophobicContact CB-CD1 3.83Å; R751-L754 HydrophobicContact CB-CG 4.44Å; R751-L754 HydrophobicContact CG-CD1 4.37Å; R751-L754 WeakPolarHBondContact O-CG 3.49Å; Q752-L754 PolarHBondContact O-N 2.95Å; L754-R783 HydrophobicContact CB-CB 3.92Å; L754-R783 HydrophobicContact CD1-CB 4.03Å; L754-V784 CarbonylContact C-O 3.31Å; L754-V784 WeakPolarHBondContact CA-O 3.23Å; L754-V784 WeakPolarHBondContact CB-O 3.43Å; L754-P785 HydrophobicContact CD2-CB 4.11Å; L754-F815 HydrophobicContact CD1-CD1 4.39Å; L754-F815 HydrophobicContact CD1-CD2 3.74Å; L754-F815 HydrophobicContact CD1-CE1 4.33Å; L754-F815 HydrophobicContact CD1-CE2 3.69Å; L754-F815 HydrophobicContact CD1-CG 4.11Å; L754-F815 HydrophobicContact CD1-CZ 3.99Å; L754-F815 HydrophobicContact CD2-CD2 4.13Å; L754-F815 HydrophobicContact CD2-CE2 3.4Å; L754-F815 HydrophobicContact CD2-CZ 3.85Å; L754-F815 HydrophobicContact CG-CE2 4.2Å; L754-F815 HydrophobicContact CG-CZ 4.5Å; L754-L824 HydrophobicContact CD1-CD2 3.79Å
755	E	91.2	Very high	91.1	Very high	45 Å²	45	49.6 Å²	49.6	21%	0.21	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	134.6	175.1	-165.1	-179.9	171	0	0	109.8	I757 R783 V784 H786	E755-I757 HydrophobicContact CG-CD1 4.06Å; E755-I757 WeakPolarHBondContact OE1-CD1 3.48Å; E755-R783 CarbonylContact O-C 3.56Å; E755-R783 VanDerWaalsContact O-CA 3.25Å; E755-R783 WeakPolarHBondContact O-CA 3.28Å; E755-V784 HydrophobicContact CB-CG2 4Å; E755-V784 PolarHBondContact N-O 2.99Å; E755-V784 PolarHBondContact O-N 3.17Å; E755-H786 IonicContact OE2-CD2 3.16Å; E755-H786 IonicContact OE2-NE2 3.73Å
756	R	92.5	Very high	90.8	Very high	111 Å²	111	48.1 Å²	48.1	42%	0.419	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	115.2	172.5	-179.3	-174.8	178.2	-178.4	2	109.5	Y781	R756-Y781 VanDerWaalsContact NE-CD1 3.32Å; R756-Y781 VanDerWaalsContact NH2-CG 3.32Å
757	I	94	Very high	90.5	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.015	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	139.9	172.3	-55	-61.5	0	0	0	109.6	A197 I199 E755 Y781 Y782 V784	A197-I757 HydrophobicContact CB-CD1 4.22Å; I199-I757 HydrophobicContact CD1-CG2 3.95Å; E755-I757 HydrophobicContact CG-CD1 4.06Å; E755-I757 WeakPolarHBondContact OE1-CD1 3.48Å; I757-Y781 WeakPolarHBondContact O-CA 3.39Å; I757-Y782 HydrophobicContact CB-CD2 4.19Å; I757-Y782 HydrophobicContact CB-CE1 4.09Å; I757-Y782 HydrophobicContact CB-CE2 3.67Å; I757-Y782 HydrophobicContact CG1-CE2 4.05Å; I757-Y782 HydrophobicContact CG2-CE1 3.92Å; I757-Y782 HydrophobicContact CG2-CE2 3.98Å; I757-Y782 VanDerWaalsContact CG2-CZ 3.44Å; I757-Y782 WeakPolarHBondContact CG2-OH 2.92Å; I757-Y782 PolarHBondContact N-O 2.6Å; I757-Y782 PolarHBondContact O-N 2.82Å; I757-Y782 VanDerWaalsContact O-N 3.14Å; I757-V784 HydrophobicContact CD1-CG2 4.35Å; I757-V784 HydrophobicContact CG1-CG2 3.68Å
758	T	93.3	Very high	90.2	Very high	18 Å²	18	47.8 Å²	47.8	11%	0.11	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.7	175.6	-53.4	0	0	0	0	109.4	A197 T198 I199 P779 I780 Y781	A197-T758 PolarHBondContact O-N 3.44Å; T198-T758 WeakPolarHBondContact CA-O 3.35Å; I199-T758 PolarHBondContact N-O 2.7Å; T758-P779 HydrophobicContact CG2-CB 3.71Å; T758-P779 HydrophobicContact CG2-CG 4.05Å; T758-I780 WeakPolarHBondContact CA-O 3.45Å; T758-Y781 HydrophobicContact CG2-CD1 3.82Å; T758-Y781 HydrophobicContact CG2-CE1 3.47Å; T758-Y781 VanDerWaalsContact CG2-CE1 3.47Å; T758-Y781 WeakPolarHBondContact OG1-CD1 3.19Å; T758-Y781 WeakPolarHBondContact OG1-CE1 3.26Å
759	S	94.3	Very high	90.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.9	173	51.1	0	0	0	0	111.7	I199 P761 P779 I780	I199-S759 CarbonylContact O-C 3.52Å; I199-S759 VanDerWaalsContact O-CA 3.26Å; I199-S759 WeakPolarHBondContact O-CA 3.34Å; S759-P761 VanDerWaalsContact C-CD 3.43Å; S759-P761 WeakPolarHBondContact O-CD 3.33Å; S759-P779 WeakPolarHBondContact O-CB 3.43Å; S759-I780 PolarHBondContact N-O 3.48Å; S759-I780 PolarHBondContact O-N 2.9Å; S759-I780 WeakPolarHBondContact OG-CB 3.34Å
760	K	94	Very high	90.3	Very high	33 Å²	33	42.2 Å²	42.2	14%	0.143	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	84.1	179.7	-70.3	180	-172.2	175.7	0	109	D186 I199 E200 I201 Y762 F778 P779	D186-K760 IonicContact OD1-NZ 2.69Å; D186-K760 PolarHBondContact OD1-NZ 3.16Å; D186-K760 IonicContact OD2-NZ 2.6Å; D186-K760 PolarHBondContact OD2-NZ 3.12Å; I199-K760 PolarHBondContact O-N 2.84Å; E200-K760 WeakPolarHBondContact CA-O 3.35Å; I201-K760 PolarHBondContact N-O 3.11Å; K760-Y762 HydrophobicContact CB-CE2 4.5Å; K760-F778 HydrophobicContact CB-CE2 3.61Å; K760-F778 HydrophobicContact CB-CZ 3.63Å; K760-F778 HydrophobicContact CD-CZ 4.23Å; K760-F778 HydrophobicContact CG-CE1 4.38Å; K760-F778 HydrophobicContact CG-CE2 4.21Å; K760-F778 HydrophobicContact CG-CZ 3.82Å; K760-P779 HydrophobicContact CG-CB 4Å
761	P	94.4	Very high	90.4	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	129.1	-178.8	30.9	-34.9	0	0	0	113	Y131 I201 S759 Y775 F778 I780	Y131-P761 HydrophobicContact CD1-CB 3.65Å; Y131-P761 HydrophobicContact CE1-CB 4.01Å; I201-P761 CarbonylContact O-C 3.55Å; I201-P761 WeakPolarHBondContact O-CA 3.1Å; S759-P761 VanDerWaalsContact C-CD 3.43Å; S759-P761 WeakPolarHBondContact O-CD 3.33Å; P761-Y775 HydrophobicContact CG-CD1 3.94Å; P761-Y775 HydrophobicContact CG-CG 4.08Å; P761-Y775 WeakPolarHBondContact O-CB 3.46Å; P761-Y775 PolarHBondContact O-N 3.32Å; P761-F778 HydrophobicContact CG-CD2 4.49Å; P761-F778 WeakPolarHBondContact O-CD2 3.35Å; P761-I780 HydrophobicContact CG-CD1 3.75Å; P761-I780 HydrophobicContact CG-CG1 4.05Å
762	Y	94.1	Very high	90.5	Very high	52 Å²	52	45.5 Å²	45.5	20%	0.204	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	110.6	173	-69.8	-86.6	0	0	0	108.9	Y131 E200 I201 T202 D203 K760 I772 Q773 R774 F778	Y131-Y762 PolarHBondContact OH-O 3.27Å; E200-Y762 HydrophobicContact CG-CD2 3.97Å; E200-Y762 HydrophobicContact CG-CE2 3.94Å; E200-Y762 WeakPolarHBondContact OE1-CE2 2.83Å; I201-Y762 PolarHBondContact O-N 2.73Å; T202-Y762 HydrophobicContact CG2-CD2 3.7Å; T202-Y762 HydrophobicContact CG2-CG 4.03Å; D203-Y762 PolarHBondContact N-O 3.44Å; K760-Y762 HydrophobicContact CB-CE2 4.5Å; Y762-I772 HydrophobicContact CD1-CG2 4.18Å; Y762-I772 HydrophobicContact CG-CG2 4.31Å; Y762-Q773 CarbonylContact C-O 3.41Å; Y762-Q773 WeakPolarHBondContact CA-O 3.07Å; Y762-R774 HydrophobicContact CD1-CG 3.9Å; Y762-R774 HydrophobicContact CE1-CG 3.55Å; Y762-F778 HydrophobicContact CD2-CE2 4.34Å; Y762-F778 HydrophobicContact CE1-CE2 4.38Å; Y762-F778 HydrophobicContact CE1-CZ 4.38Å; Y762-F778 AromaticContact CE2-CE2 4Å; Y762-F778 HydrophobicContact CE2-CE2 4Å; Y762-F778 HydrophobicContact CE2-CZ 4.04Å; Y762-F778 AromaticContact CZ-CZ 3.8Å
763	I	91.3	Very high	90.8	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	161	-174.6	60	161.1	0	0	0	110.7	L127 Y131 L659 Q773 Y775 F776	L127-I763 HydrophobicContact CD2-CB 4.31Å; L127-I763 HydrophobicContact CD2-CG2 3.93Å; Y131-I763 HydrophobicContact CE1-CG2 3.81Å; L659-I763 HydrophobicContact CD2-CD1 3.64Å; I763-Q773 HydrophobicContact CD1-CG 4.15Å; I763-Q773 HydrophobicContact CG1-CG 3.67Å; I763-Q773 PolarHBondContact N-O 3.33Å; I763-Q773 PolarHBondContact O-N 3.3Å; I763-Q773 VanDerWaalsContact O-O 3.08Å; I763-Y775 HydrophobicContact CD1-CD2 4.03Å; I763-Y775 HydrophobicContact CG2-CD2 4.26Å; I763-F776 HydrophobicContact CD1-CE2 4.23Å
764	R	90.1	Very high	91.1	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	145.4	171.1	71.7	-165.9	-61.7	137.4	-6.6	111.3	Y162 L173 D203 A206 D766 V767	Y162-R764 VanDerWaalsContact OH-CG 3.25Å; Y162-R764 WeakPolarHBondContact OH-CG 3.37Å; L173-R764 PolarHBondContact O-NH1 3.45Å; L173-R764 PolarHBondContact O-NH2 3.03Å; D203-R764 WeakPolarHBondContact OD2-CD 3.33Å; D203-R764 IonicContact OD2-CZ 2.79Å; D203-R764 IonicContact OD2-NE 3.51Å; D203-R764 IonicContact OD2-NH1 3.57Å; D203-R764 PolarHBondContact OD2-NH1 3.47Å; A206-R764 HydrophobicContact CB-CB 3.46Å; A206-R764 VanDerWaalsContact CB-CB 3.46Å; R764-D766 PolarHBondContact NE-O 3.28Å; R764-V767 PolarHBondContact NH2-O 3.04Å
765	S	87.3	Confident	90.9	Very high	32 Å²	32	46.8 Å²	46.8	22%	0.224	22%	0.224	C	C	.	.	S	Bend	trans	-73.4	-39.6	178.8	56.9	0	0	0	0	113	S770 Q771	S765-S770 PolarHBondContact OG-OG 3.01Å; S765-S770 VanDerWaalsContact OG-OG 3.05Å; S765-Q771 PolarHBondContact N-O 3.45Å; S765-Q771 PolarHBondContact OG-N 3.47Å; S765-Q771 PolarHBondContact OG-O 2.87Å; S765-Q771 VanDerWaalsContact OG-O 3.1Å
766	D	86.9	Confident	90.6	Very high	43 Å²	43	49.4 Å²	49.4	23%	0.23	24%	0.235	C	C	.	.	S	Bend	trans	-143.6	174.3	-174.5	74.1	-49.4	0	0	0	112.7	Y162 R764 N768 G769 S770	Y162-D766 VanDerWaalsContact OH-C 3.29Å; Y162-D766 PolarHBondContact OH-O 2.97Å; R764-D766 PolarHBondContact NE-O 3.28Å; D766-N768 PolarHBondContact O-N 2.89Å; D766-N768 WeakPolarHBondContact OD2-CB 3.15Å; D766-N768 PolarHBondContact OD2-N 2.89Å; D766-G769 PolarHBondContact O-N 2.87Å; D766-G769 PolarHBondContact OD1-N 3.31Å; D766-G769 VanDerWaalsContact OD1-N 3.13Å; D766-S770 WeakPolarHBondContact OD1-CB 3.38Å; D766-S770 PolarHBondContact OD1-N 3.21Å; D766-S770 PolarHBondContact OD1-OG 2.93Å
767	V	87.2	Confident	90.3	Very high	19 Å²	19	47.6 Å²	47.6	12%	0.115	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-36.4	179.8	-177	0	0	0	0	111.2	Y162 L164 L171 R764 G769	Y162-V767 HydrophobicContact CD1-CG2 3.77Å; Y162-V767 HydrophobicContact CD2-CG2 3.84Å; Y162-V767 HydrophobicContact CE1-CG2 4.09Å; Y162-V767 HydrophobicContact CE2-CG2 4.13Å; Y162-V767 HydrophobicContact CG-CG2 3.66Å; L164-V767 HydrophobicContact CD2-CG1 4.22Å; L164-V767 HydrophobicContact CD2-CG2 3.77Å; L171-V767 HydrophobicContact CD2-CG1 3.65Å; L171-V767 WeakPolarHBondContact CD2-O 3.19Å; R764-V767 PolarHBondContact NH2-O 3.04Å; V767-G769 VanDerWaalsContact C-N 3.34Å
768	N	87.1	Confident	90	Very high	99 Å²	99	50.2 Å²	50.2	53%	0.529	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-15.5	179.7	-62.2	-23.2	0	0	0	113	P172 D766	P172-N768 WeakPolarHBondContact CG-O 3.38Å; D766-N768 PolarHBondContact O-N 2.89Å; D766-N768 WeakPolarHBondContact OD2-CB 3.15Å; D766-N768 PolarHBondContact OD2-N 2.89Å
769	G	87.6	Confident	89.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.252	C	S	.	.			trans	76.1	38.4	180	0	0	0	0	0	113.3	A206 G207 N210 D766 V767 Q771	A206-G769 CarbonylContact C-O 3.6Å; A206-G769 VanDerWaalsContact CA-O 3.32Å; A206-G769 WeakPolarHBondContact CA-O 3.42Å; G207-G769 PolarHBondContact N-O 3.45Å; N210-G769 PolarHBondContact ND2-O 2.97Å; D766-G769 PolarHBondContact O-N 2.87Å; D766-G769 PolarHBondContact OD1-N 3.31Å; D766-G769 VanDerWaalsContact OD1-N 3.13Å; V767-G769 VanDerWaalsContact C-N 3.34Å; G769-Q771 PolarHBondContact O-N 2.77Å
770	S	89.1	Confident	89.8	Confident	67 Å²	67	51 Å²	51	47%	0.469	25%	0.252	S	S	.	.			trans	-59.6	-40.8	-179	58.5	0	0	0	0	113.6	G207 S765 D766	G207-S770 CarbonylContact C-O 3.45Å; S765-S770 PolarHBondContact OG-OG 3.01Å; S765-S770 VanDerWaalsContact OG-OG 3.05Å; D766-S770 WeakPolarHBondContact OD1-CB 3.38Å; D766-S770 PolarHBondContact OD1-N 3.21Å; D766-S770 PolarHBondContact OD1-OG 2.93Å
771	Q	90.6	Very high	89.8	Confident	137 Å²	137	53 Å²	53	64%	0.64	26%	0.26	S	S	*	.			trans	-141.5	159.1	-178.3	-65.4	-177.4	-3.9	0	0	110.7	S765 G769	S765-Q771 PolarHBondContact N-O 3.45Å; S765-Q771 PolarHBondContact OG-N 3.47Å; S765-Q771 PolarHBondContact OG-O 2.87Å; S765-Q771 VanDerWaalsContact OG-O 3.1Å; G769-Q771 PolarHBondContact O-N 2.77Å
772	I	91.1	Very high	89.8	Confident	73 Å²	73	53.1 Å²	53.1	37%	0.374	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	135.5	169.2	-61.4	176.6	0	0	0	107.8	A206 Y762	A206-I772 HydrophobicContact CB-CG1 4.06Å; A206-I772 VanDerWaalsContact O-CD1 3.29Å; A206-I772 WeakPolarHBondContact O-CD1 3.34Å; A206-I772 VanDerWaalsContact O-CG1 3.28Å; A206-I772 WeakPolarHBondContact O-CG1 3.36Å; Y762-I772 HydrophobicContact CD1-CG2 4.18Å; Y762-I772 HydrophobicContact CG-CG2 4.31Å
773	Q	91.1	Very high	89.9	Confident	69 Å²	69	55.3 Å²	55.3	32%	0.322	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	152.7	174	67.7	-175.8	4.4	0	0	110.5	Y762 I763	Y762-Q773 CarbonylContact C-O 3.41Å; Y762-Q773 WeakPolarHBondContact CA-O 3.07Å; I763-Q773 HydrophobicContact CD1-CG 4.15Å; I763-Q773 HydrophobicContact CG1-CG 3.67Å; I763-Q773 PolarHBondContact N-O 3.33Å; I763-Q773 PolarHBondContact O-N 3.3Å; I763-Q773 VanDerWaalsContact O-O 3.08Å
774	R	91.9	Very high	90.1	Very high	165 Å²	165	55.2 Å²	55.2	62%	0.623	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	143.7	169.5	-67.9	176.9	-173.7	171.2	2.6	109	Y762 F778	Y762-R774 HydrophobicContact CD1-CG 3.9Å; Y762-R774 HydrophobicContact CE1-CG 3.55Å; R774-F778 HydrophobicContact CB-CD2 4.19Å; R774-F778 HydrophobicContact CB-CG 4.29Å; R774-F778 HydrophobicContact CG-CD2 4.4Å; R774-F778 HydrophobicContact CG-CE2 4.34Å; R774-F778 HydrophobicContact CG-CZ 4.45Å
775	Y	90	Very high	90.4	Very high	14 Å²	14	55.2 Å²	55.2	6%	0.055	27%	0.267	C	S	.	.			trans	-62	157.6	167.9	-171.1	-127.3	0	0	0	110.7	M128 Y656 T661 P761 I763 T777 F778 I780	M128-Y775 HydrophobicContact CE-CD1 3.99Å; M128-Y775 HydrophobicContact CE-CD2 4.45Å; M128-Y775 HydrophobicContact CE-CE1 3.39Å; M128-Y775 HydrophobicContact CE-CE2 3.94Å; M128-Y775 HydrophobicContact CE-CG 4.5Å; Y656-Y775 HydrophobicContact CE2-CE2 4.44Å; T661-Y775 HydrophobicContact CG2-CE2 4.21Å; P761-Y775 HydrophobicContact CG-CD1 3.94Å; P761-Y775 HydrophobicContact CG-CG 4.08Å; P761-Y775 WeakPolarHBondContact O-CB 3.46Å; P761-Y775 PolarHBondContact O-N 3.32Å; I763-Y775 HydrophobicContact CD1-CD2 4.03Å; I763-Y775 HydrophobicContact CG2-CD2 4.26Å; Y775-T777 VanDerWaalsContact CD1-O 3.29Å; Y775-T777 WeakPolarHBondContact CD1-O 3.5Å; Y775-F778 VanDerWaalsContact O-CB 3.25Å; Y775-F778 WeakPolarHBondContact O-CB 3.12Å; Y775-I780 HydrophobicContact CD1-CD1 3.87Å; Y775-I780 HydrophobicContact CD1-CG1 4.29Å; Y775-I780 HydrophobicContact CE1-CD1 3.95Å
776	F	84.4	Confident	90.7	Very high	100 Å²	100	57.3 Å²	57.3	44%	0.439	27%	0.274	S	S	.	.	S	Bend	trans	-66	-49	-175.6	-59.9	-84	0	0	0	112.1	Y656 I763 F778	Y656-F776 VanDerWaalsContact CB-CZ 3.45Å; Y656-F776 HydrophobicContact CD1-CB 4.23Å; Y656-F776 AromaticContact CD1-CD1 3.54Å; Y656-F776 HydrophobicContact CD1-CD1 3.54Å; Y656-F776 AromaticContact CD1-CD2 3.31Å; Y656-F776 HydrophobicContact CD1-CD2 3.31Å; Y656-F776 AromaticContact CD1-CE1 3.64Å; Y656-F776 HydrophobicContact CD1-CE1 3.64Å; Y656-F776 AromaticContact CD1-CE2 3.44Å; Y656-F776 HydrophobicContact CD1-CE2 3.44Å; Y656-F776 VanDerWaalsContact CD1-CE2 3.44Å; Y656-F776 AromaticContact CD1-CG 3.38Å; Y656-F776 HydrophobicContact CD1-CG 3.38Å; Y656-F776 AromaticContact CD1-CZ 3.6Å; Y656-F776 HydrophobicContact CD1-CZ 3.6Å; Y656-F776 AromaticContact CD2-CD2 3.54Å; Y656-F776 HydrophobicContact CD2-CD2 3.54Å; Y656-F776 AromaticContact CD2-CE2 3.74Å; Y656-F776 HydrophobicContact CD2-CE2 3.74Å; Y656-F776 HydrophobicContact CD2-CG 4.33Å; Y656-F776 HydrophobicContact CE1-CB 3.54Å; Y656-F776 AromaticContact CE1-CD1 3.62Å; Y656-F776 HydrophobicContact CE1-CD1 3.62Å; Y656-F776 AromaticContact CE1-CD2 3.47Å; Y656-F776 HydrophobicContact CE1-CD2 3.47Å; Y656-F776 VanDerWaalsContact CE1-CD2 3.47Å; Y656-F776 HydrophobicContact CE1-CE1 4.21Å; Y656-F776 HydrophobicContact CE1-CE2 4.11Å; Y656-F776 AromaticContact CE1-CG 3.21Å; Y656-F776 HydrophobicContact CE1-CG 3.21Å; Y656-F776 HydrophobicContact CE1-CZ 4.44Å; Y656-F776 HydrophobicContact CE2-CB 4.4Å; Y656-F776 AromaticContact CE2-CD2 3.7Å; Y656-F776 HydrophobicContact CE2-CD2 3.7Å; Y656-F776 HydrophobicContact CE2-CE2 4.37Å; Y656-F776 HydrophobicContact CE2-CG 4.21Å; Y656-F776 HydrophobicContact CG-CD1 4.33Å; Y656-F776 AromaticContact CG-CD2 3.31Å; Y656-F776 HydrophobicContact CG-CD2 3.31Å; Y656-F776 HydrophobicContact CG-CE1 4.21Å; Y656-F776 AromaticContact CG-CE2 3.19Å; Y656-F776 HydrophobicContact CG-CE2 3.19Å; Y656-F776 AromaticContact CG-CG 3.93Å; Y656-F776 HydrophobicContact CG-CG 3.93Å; Y656-F776 AromaticContact CG-CZ 3.68Å; Y656-F776 HydrophobicContact CG-CZ 3.68Å; Y656-F776 AromaticContact CZ-CD2 3.64Å; Y656-F776 AromaticContact CZ-CG 3.64Å; I763-F776 HydrophobicContact CD1-CE2 4.23Å; F776-F778 PolarHBondContact O-N 2.89Å
777	T	85.7	Confident	91.1	Very high	72 Å²	72	56.5 Å²	56.5	44%	0.442	27%	0.267	S	S	.	.	S	Bend	trans	-85.2	92.4	170	-60.1	0	0	0	0	108.3	Y775 I780	Y775-T777 VanDerWaalsContact CD1-O 3.29Å; Y775-T777 WeakPolarHBondContact CD1-O 3.5Å; T777-I780 HydrophobicContact CG2-CG1 4.37Å; T777-I780 VanDerWaalsContact O-CG1 3.25Å; T777-I780 WeakPolarHBondContact O-CG1 3.24Å
778	F	88.9	Confident	91.4	Very high	59 Å²	59	63.9 Å²	63.9	26%	0.259	30%	0.301	S	S	.	.			trans	-131.9	126.8	-177	-173.4	-82.1	0	0	0	112	K760 P761 Y762 R774 Y775 F776	K760-F778 HydrophobicContact CB-CE2 3.61Å; K760-F778 HydrophobicContact CB-CZ 3.63Å; K760-F778 HydrophobicContact CD-CZ 4.23Å; K760-F778 HydrophobicContact CG-CE1 4.38Å; K760-F778 HydrophobicContact CG-CE2 4.21Å; K760-F778 HydrophobicContact CG-CZ 3.82Å; P761-F778 HydrophobicContact CG-CD2 4.49Å; P761-F778 WeakPolarHBondContact O-CD2 3.35Å; Y762-F778 HydrophobicContact CD2-CE2 4.34Å; Y762-F778 HydrophobicContact CE1-CE2 4.38Å; Y762-F778 HydrophobicContact CE1-CZ 4.38Å; Y762-F778 AromaticContact CE2-CE2 4Å; Y762-F778 HydrophobicContact CE2-CE2 4Å; Y762-F778 HydrophobicContact CE2-CZ 4.04Å; Y762-F778 AromaticContact CZ-CZ 3.8Å; R774-F778 HydrophobicContact CB-CD2 4.19Å; R774-F778 HydrophobicContact CB-CG 4.29Å; R774-F778 HydrophobicContact CG-CD2 4.4Å; R774-F778 HydrophobicContact CG-CE2 4.34Å; R774-F778 HydrophobicContact CG-CZ 4.45Å; Y775-F778 VanDerWaalsContact O-CB 3.25Å; Y775-F778 WeakPolarHBondContact O-CB 3.12Å; F776-F778 PolarHBondContact O-N 2.89Å
779	P	90.9	Very high	91.7	Very high	31 Å²	31	60.1 Å²	60.1	20%	0.201	28%	0.28	C	S	.	.	S	Bend	cis	-76	163	-10	34.5	-38.3	0	0	0	112.6	T758 S759 K760 Y781	T758-P779 HydrophobicContact CG2-CB 3.71Å; T758-P779 HydrophobicContact CG2-CG 4.05Å; S759-P779 WeakPolarHBondContact O-CB 3.43Å; K760-P779 HydrophobicContact CG-CB 4Å; P779-Y781 HydrophobicContact CG-CE1 3.92Å; P779-Y781 HydrophobicContact CG-CE2 3.82Å; P779-Y781 WeakPolarHBondContact CG-OH 3.38Å
780	I	92.6	Very high	92	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	140	172.6	-62.2	-178.1	0	0	0	109	M128 N649 T758 S759 P761 Y775 T777 Y782	M128-I780 HydrophobicContact CE-CD1 4.04Å; M128-I780 HydrophobicContact SD-CD1 4.12Å; N649-I780 HydrophobicContact CB-CG2 3.79Å; N649-I780 VanDerWaalsContact ND2-CG2 3.33Å; N649-I780 WeakPolarHBondContact ND2-CG2 3.19Å; N649-I780 VanDerWaalsContact OD1-CG2 3.3Å; N649-I780 WeakPolarHBondContact OD1-CG2 3.5Å; T758-I780 WeakPolarHBondContact CA-O 3.45Å; S759-I780 PolarHBondContact N-O 3.48Å; S759-I780 PolarHBondContact O-N 2.9Å; S759-I780 WeakPolarHBondContact OG-CB 3.34Å; P761-I780 HydrophobicContact CG-CD1 3.75Å; P761-I780 HydrophobicContact CG-CG1 4.05Å; Y775-I780 HydrophobicContact CD1-CD1 3.87Å; Y775-I780 HydrophobicContact CD1-CG1 4.29Å; Y775-I780 HydrophobicContact CE1-CD1 3.95Å; T777-I780 HydrophobicContact CG2-CG1 4.37Å; T777-I780 VanDerWaalsContact O-CG1 3.25Å; T777-I780 WeakPolarHBondContact O-CG1 3.24Å; I780-Y782 HydrophobicContact CG2-CD1 4.39Å
781	Y	92.7	Very high	92.3	Very high	77 Å²	77	60.4 Å²	60.4	30%	0.302	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.8	177.8	-57.1	-73.4	0	0	0	110.9	N649 R756 I757 T758 P779	N649-Y781 PolarHBondContact ND2-O 3.37Å; N649-Y781 PolarHBondContact OD1-O 3.29Å; N649-Y781 VanDerWaalsContact OD1-O 3.08Å; R756-Y781 VanDerWaalsContact NE-CD1 3.32Å; R756-Y781 VanDerWaalsContact NH2-CG 3.32Å; I757-Y781 WeakPolarHBondContact O-CA 3.39Å; T758-Y781 HydrophobicContact CG2-CD1 3.82Å; T758-Y781 HydrophobicContact CG2-CE1 3.47Å; T758-Y781 VanDerWaalsContact CG2-CE1 3.47Å; T758-Y781 WeakPolarHBondContact OG1-CD1 3.19Å; T758-Y781 WeakPolarHBondContact OG1-CE1 3.26Å; P779-Y781 HydrophobicContact CG-CE1 3.92Å; P779-Y781 HydrophobicContact CG-CE2 3.82Å; P779-Y781 WeakPolarHBondContact CG-OH 3.38Å
782	Y	95.4	Very high	92.6	Very high	3 Å²	3	55.2 Å²	55.2	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	153.6	171.8	52.7	-79.7	0	0	0	111.1	A645 Q648 I757 I780 V784	A645-Y782 HydrophobicContact CB-CD1 4.03Å; A645-Y782 HydrophobicContact CB-CD2 3.61Å; A645-Y782 HydrophobicContact CB-CE1 4.05Å; A645-Y782 HydrophobicContact CB-CE2 3.64Å; A645-Y782 HydrophobicContact CB-CG 3.83Å; Q648-Y782 VanDerWaalsContact OE1-CA 3.27Å; I757-Y782 HydrophobicContact CB-CD2 4.19Å; I757-Y782 HydrophobicContact CB-CE1 4.09Å; I757-Y782 HydrophobicContact CB-CE2 3.67Å; I757-Y782 HydrophobicContact CG1-CE2 4.05Å; I757-Y782 HydrophobicContact CG2-CE1 3.92Å; I757-Y782 HydrophobicContact CG2-CE2 3.98Å; I757-Y782 VanDerWaalsContact CG2-CZ 3.44Å; I757-Y782 WeakPolarHBondContact CG2-OH 2.92Å; I757-Y782 PolarHBondContact N-O 2.6Å; I757-Y782 PolarHBondContact O-N 2.82Å; I757-Y782 VanDerWaalsContact O-N 3.14Å; I780-Y782 HydrophobicContact CG2-CD1 4.39Å; Y782-V784 HydrophobicContact CD2-CG1 3.46Å; Y782-V784 VanDerWaalsContact CD2-CG1 3.46Å; Y782-V784 HydrophobicContact CE2-CG1 3.66Å
783	R	95.6	Very high	92.8	Very high	97 Å²	97	52.1 Å²	52.1	37%	0.366	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135	177	-69.3	-170.4	179.5	115.1	-7	110.9	Q648 L754 E755 L824	Q648-R783 PolarHBondContact NE2-O 3.29Å; L754-R783 HydrophobicContact CB-CB 3.92Å; L754-R783 HydrophobicContact CD1-CB 4.03Å; E755-R783 CarbonylContact O-C 3.56Å; E755-R783 VanDerWaalsContact O-CA 3.25Å; E755-R783 WeakPolarHBondContact O-CA 3.28Å; R783-L824 HydrophobicContact CB-CD2 4.08Å
784	V	96.1	Very high	92.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.2	-177.2	-59.5	0	0	0	0	111	H641 L754 E755 I757 Y782	H641-V784 HydrophobicContact CB-CG1 4.28Å; H641-V784 VanDerWaalsContact CE1-CG2 3.47Å; H641-V784 WeakPolarHBondContact CE1-CG2 3.44Å; L754-V784 CarbonylContact C-O 3.31Å; L754-V784 WeakPolarHBondContact CA-O 3.23Å; L754-V784 WeakPolarHBondContact CB-O 3.43Å; E755-V784 HydrophobicContact CB-CG2 4Å; E755-V784 PolarHBondContact N-O 2.99Å; E755-V784 PolarHBondContact O-N 3.17Å; I757-V784 HydrophobicContact CD1-CG2 4.35Å; I757-V784 HydrophobicContact CG1-CG2 3.68Å; Y782-V784 HydrophobicContact CD2-CG1 3.46Å; Y782-V784 VanDerWaalsContact CD2-CG1 3.46Å; Y782-V784 HydrophobicContact CE2-CG1 3.66Å
785	P	95.7	Very high	93.1	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.208	C	C	.	.			trans	-76.5	153.7	174.5	32.9	-36.5	0	0	0	111.9	L637 H641 L754 E789 P813	L637-P785 HydrophobicContact CD1-CG 4.03Å; H641-P785 PolarHBondContact NE2-O 3Å; H641-P785 VanDerWaalsContact NE2-O 3.12Å; L754-P785 HydrophobicContact CD2-CB 4.11Å; P785-E789 VanDerWaalsContact CA-OE2 3.31Å; P785-E789 WeakPolarHBondContact CA-OE2 3.2Å; P785-E789 HydrophobicContact CB-CB 4.41Å; P785-P813 HydrophobicContact CB-CG 4.09Å; P785-P813 HydrophobicContact CG-CG 4.19Å; P785-P813 WeakPolarHBondContact CG-O 3.26Å
786	H	94.9	Very high	93.3	Very high	77 Å²	77	47.1 Å²	47.1	36%	0.356	22%	0.216	S	C	.	.			trans	-78.1	160.2	165.7	-59.3	84.1	0	0	0	110.7	E755 E788 E789	E755-H786 IonicContact OE2-CD2 3.16Å; E755-H786 IonicContact OE2-NE2 3.73Å; H786-E788 VanDerWaalsContact C-N 3.27Å; H786-E788 PolarHBondContact O-N 3.06Å; H786-E789 HydrophobicContact CB-CG 4.15Å; H786-E789 PolarHBondContact N-OE2 2.86Å; H786-E789 IonicContact ND1-OE1 3.29Å; H786-E789 IonicContact ND1-OE2 2.99Å; H786-E789 PolarHBondContact ND1-OE2 2.84Å; H786-E789 WeakPolarHBondContact O-CB 3.03Å; H786-E789 PolarHBondContact O-N 3.24Å
787	Y	94.5	Very high	93.9	Very high	26 Å²	26	43 Å²	43	10%	0.102	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-56.6	-40.5	175.1	177.4	-106.4	0	0	0	112.7	E626 E630 R634 L637 E789 G790 W792 Y810	E626-Y787 PolarHBondContact O-OH 2.95Å; E630-Y787 WeakPolarHBondContact CA-OH 3.38Å; E630-Y787 HydrophobicContact CB-CE1 4.46Å; E630-Y787 HydrophobicContact CG-CD1 4.18Å; E630-Y787 HydrophobicContact CG-CE1 3.71Å; E630-Y787 HydrophobicContact CG-CE2 4.45Å; R634-Y787 HydrophobicContact CG-CD2 4.18Å; L637-Y787 HydrophobicContact CD2-CD2 4.47Å; Y787-E789 PolarHBondContact O-N 2.85Å; Y787-G790 PolarHBondContact O-N 3.35Å; Y787-G790 VanDerWaalsContact O-N 3.12Å; Y787-W792 PolarHBondContact OH-NE1 3.16Å; Y787-Y810 HydrophobicContact CD2-CE1 4.46Å; Y787-Y810 HydrophobicContact CD2-CE2 4.27Å; Y787-Y810 AromaticContact CD2-CZ 3.79Å; Y787-Y810 WeakPolarHBondContact CD2-OH 3.47Å; Y787-Y810 HydrophobicContact CE2-CE1 4.29Å; Y787-Y810 AromaticContact CE2-CE2 3.85Å; Y787-Y810 HydrophobicContact CE2-CE2 3.85Å; Y787-Y810 AromaticContact CE2-CZ 3.71Å; Y787-Y810 PolarHBondContact O-OH 2.87Å
788	E	93.3	Very high	94.2	Very high	174 Å²	174	41.2 Å²	41.2	81%	0.813	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-70.2	-16.4	179.4	-59.9	175.8	-178.2	0	0	113.1	H786 G790	H786-E788 VanDerWaalsContact C-N 3.27Å; H786-E788 PolarHBondContact O-N 3.06Å; E788-G790 VanDerWaalsContact C-N 3.31Å
789	E	93.5	Very high	94.3	Very high	20 Å²	20	38.9 Å²	38.9	9%	0.093	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-84.9	-9.4	174.9	-64.3	177.1	143.6	0	0	112.7	R746 W747 S753 P785 H786 Y787	R746-E789 PolarHBondContact NH1-O 3.49Å; R746-E789 VanDerWaalsContact NH1-O 3.09Å; W747-E789 WeakPolarHBondContact CH2-OE1 3.49Å; W747-E789 HydrophobicContact CZ2-CB 3.95Å; W747-E789 HydrophobicContact CZ2-CG 4.23Å; S753-E789 PolarHBondContact OG-OE1 3.34Å; P785-E789 VanDerWaalsContact CA-OE2 3.31Å; P785-E789 WeakPolarHBondContact CA-OE2 3.2Å; P785-E789 HydrophobicContact CB-CB 4.41Å; H786-E789 HydrophobicContact CB-CG 4.15Å; H786-E789 PolarHBondContact N-OE2 2.86Å; H786-E789 IonicContact ND1-OE1 3.29Å; H786-E789 IonicContact ND1-OE2 2.99Å; H786-E789 PolarHBondContact ND1-OE2 2.84Å; H786-E789 WeakPolarHBondContact O-CB 3.03Å; H786-E789 PolarHBondContact O-N 3.24Å; Y787-E789 PolarHBondContact O-N 2.85Å
790	G	94.4	Very high	94.1	Very high	12 Å²	12	43.2 Å²	43.2	12%	0.124	20%	0.198	C	C	.	.	S	Bend	trans	-65.6	170.7	166.6	0	0	0	0	0	112.3	Y787 E788 A811	Y787-G790 PolarHBondContact O-N 3.35Å; Y787-G790 VanDerWaalsContact O-N 3.12Å; E788-G790 VanDerWaalsContact C-N 3.31Å; G790-A811 CarbonylContact C-O 3.53Å; G790-A811 WeakPolarHBondContact CA-O 3.39Å
791	Y	95.2	Very high	93.8	Very high	60 Å²	60	43.6 Å²	43.6	24%	0.235	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.5	-177.1	179.3	-101.7	0	0	0	110	W739 T742 T793 A811	W739-Y791 HydrophobicContact CB-CD1 3.71Å; W739-Y791 HydrophobicContact CB-CE1 3.94Å; T742-Y791 HydrophobicContact CG2-CD2 4.12Å; T742-Y791 HydrophobicContact CG2-CE2 4.14Å; Y791-T793 HydrophobicContact CD1-CG2 4.21Å; Y791-T793 HydrophobicContact CE1-CG2 3.86Å; Y791-A811 PolarHBondContact N-O 2.86Å; Y791-A811 PolarHBondContact O-N 3.14Å
792	W	96.1	Very high	93.6	Very high	29 Å²	29	42.5 Å²	42.5	11%	0.11	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.5	166.9	-74.8	97.9	0	0	0	109.4	V625 E626 F629 Y787 I808 Y810 V834	V625-W792 HydrophobicContact CG1-CB 4.18Å; V625-W792 HydrophobicContact CG1-CD2 3.89Å; V625-W792 HydrophobicContact CG1-CE3 4.18Å; V625-W792 HydrophobicContact CG1-CG 3.92Å; V625-W792 HydrophobicContact CG2-CD2 4.17Å; V625-W792 HydrophobicContact CG2-CE3 3.78Å; V625-W792 HydrophobicContact CG2-CH2 3.97Å; V625-W792 HydrophobicContact CG2-CZ2 4.38Å; V625-W792 HydrophobicContact CG2-CZ3 3.66Å; E626-W792 HydrophobicContact CG-CG 4.23Å; F629-W792 HydrophobicContact CB-CH2 3.8Å; F629-W792 HydrophobicContact CB-CZ2 4.22Å; Y787-W792 PolarHBondContact OH-NE1 3.16Å; W792-I808 HydrophobicContact CE3-CG2 3.65Å; W792-I808 HydrophobicContact CZ3-CG2 4Å; W792-Y810 AromaticContact CD1-CD2 3.64Å; W792-Y810 AromaticContact CD2-CD2 3.73Å; W792-Y810 HydrophobicContact CD2-CD2 3.73Å; W792-Y810 HydrophobicContact CD2-CG 4.23Å; W792-Y810 AromaticContact CE2-CD2 3.39Å; W792-Y810 AromaticContact CE2-CG 3.92Å; W792-Y810 HydrophobicContact CE3-CD2 4.43Å; W792-Y810 AromaticContact CG-CD2 3.93Å; W792-Y810 HydrophobicContact CG-CD2 3.93Å; W792-Y810 HydrophobicContact CH2-CG 4.39Å; W792-Y810 AromaticContact CZ2-CD2 3.92Å; W792-Y810 HydrophobicContact CZ2-CD2 3.92Å; W792-Y810 HydrophobicContact CZ2-CG 4.01Å; W792-Y810 AromaticContact NE1-CD2 3.29Å; W792-Y810 VanDerWaalsContact NE1-CD2 3.29Å; W792-Y810 AromaticContact NE1-CE2 3.74Å; W792-V834 HydrophobicContact CZ3-CG2 4.37Å
793	T	95.1	Very high	93.4	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.049	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-70.9	153.7	174	50.7	0	0	0	0	111.1	W739 Y791 T809	W739-T793 HydrophobicContact CB-CG2 3.74Å; W739-T793 HydrophobicContact CG-CG2 4.06Å; Y791-T793 HydrophobicContact CD1-CG2 4.21Å; Y791-T793 HydrophobicContact CE1-CG2 3.86Å; T793-T809 PolarHBondContact N-O 3.44Å; T793-T809 WeakPolarHBondContact OG1-CA 3.42Å; T793-T809 WeakPolarHBondContact OG1-CB 2.88Å; T793-T809 PolarHBondContact OG1-N 3.38Å; T793-T809 PolarHBondContact OG1-O 3.4Å
794	Q	94	Very high	93.3	Very high	85 Å²	85	42.3 Å²	42.3	40%	0.397	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-64.6	149.1	164.8	-53.2	-177.5	22	0	0	108.7	L617 Y796	L617-Q794 PolarHBondContact O-OE1 3Å; Q794-Y796 WeakPolarHBondContact O-CD1 2.93Å; Q794-Y796 PolarHBondContact O-N 3.5Å
795	P	95.9	Very high	93.1	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-61.8	129.8	179.7	-16.6	28.1	0	0	0	110.7	L617 V621 L807 I808 L836	L617-P795 HydrophobicContact CB-CB 4.12Å; L617-P795 HydrophobicContact CB-CG 4.31Å; L617-P795 HydrophobicContact CD1-CB 4.18Å; L617-P795 HydrophobicContact CG-CB 4.48Å; L617-P795 PolarHBondContact N-O 2.83Å; V621-P795 HydrophobicContact CB-CG 4.2Å; V621-P795 HydrophobicContact CG1-CG 4.2Å; P795-L807 WeakPolarHBondContact CA-O 3.34Å; P795-I808 HydrophobicContact CB-CG1 4.03Å; P795-I808 HydrophobicContact CG-CD1 4.39Å; P795-I808 HydrophobicContact CG-CG1 4.06Å; P795-L836 HydrophobicContact CB-CD1 4.07Å; P795-L836 HydrophobicContact CB-CD2 4.13Å; P795-L836 HydrophobicContact CG-CD1 4.07Å
796	Y	95.3	Very high	93.1	Very high	58 Å²	58	44.2 Å²	44.2	23%	0.227	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.4	178.3	65.4	-83.7	0	0	0	110.3	L615 Q794 D798 L807 T809	L615-Y796 CarbonylContact O-C 3.53Å; L615-Y796 VanDerWaalsContact O-CA 3.29Å; L615-Y796 WeakPolarHBondContact O-CA 3.28Å; Q794-Y796 WeakPolarHBondContact O-CD1 2.93Å; Q794-Y796 PolarHBondContact O-N 3.5Å; Y796-D798 HydrophobicContact CD2-CB 4.4Å; Y796-D798 HydrophobicContact CE2-CB 4.08Å; Y796-L807 HydrophobicContact CE1-CB 4.46Å; Y796-L807 HydrophobicContact CE2-CB 4.48Å; Y796-L807 PolarHBondContact N-O 2.67Å; Y796-L807 PolarHBondContact O-N 3.38Å; Y796-T809 PolarHBondContact OH-OG1 3.45Å
797	F	96	Very high	93.2	Very high	12 Å²	12	40.6 Å²	40.6	5%	0.053	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.7	172	-167.2	-82.3	0	0	0	109.5	V602 C607 L615 C799 W806	V602-F797 HydrophobicContact CG1-CD1 4.25Å; V602-F797 HydrophobicContact CG1-CD2 3.74Å; V602-F797 HydrophobicContact CG1-CE1 4.44Å; V602-F797 HydrophobicContact CG1-CE2 3.93Å; V602-F797 HydrophobicContact CG1-CG 3.91Å; V602-F797 HydrophobicContact CG1-CZ 4.29Å; C607-F797 HydrophobicContact CB-CD1 3.76Å; C607-F797 HydrophobicContact CB-CE1 3.47Å; C607-F797 VanDerWaalsContact CB-CE1 3.47Å; C607-F797 HydrophobicContact CB-CZ 4.34Å; L615-F797 HydrophobicContact CB-CB 4.29Å; L615-F797 HydrophobicContact CD2-CB 3.89Å; L615-F797 HydrophobicContact CD2-CD1 4.15Å; L615-F797 HydrophobicContact CD2-CG 4.22Å; L615-F797 PolarHBondContact O-N 3.39Å; F797-C799 HydrophobicContact CD1-CB 4.17Å; F797-C799 HydrophobicContact CE1-CB 4.42Å; F797-C799 PolarHBondContact O-N 2.99Å; F797-W806 HydrophobicContact CB-CD2 3.95Å; F797-W806 HydrophobicContact CB-CE3 3.83Å; F797-W806 HydrophobicContact CB-CH2 4.09Å; F797-W806 HydrophobicContact CB-CZ2 4.21Å; F797-W806 HydrophobicContact CB-CZ3 3.88Å; F797-W806 HydrophobicContact CD2-CB 4.48Å; F797-W806 AromaticContact CD2-CD1 3.58Å; F797-W806 AromaticContact CD2-CD2 3.79Å; F797-W806 HydrophobicContact CD2-CD2 3.79Å; F797-W806 AromaticContact CD2-CE2 3.72Å; F797-W806 AromaticContact CD2-CG 3.73Å; F797-W806 HydrophobicContact CD2-CG 3.73Å; F797-W806 HydrophobicContact CD2-CZ2 4.42Å; F797-W806 AromaticContact CD2-NE1 3.58Å; F797-W806 HydrophobicContact CE2-CG 4.49Å; F797-W806 HydrophobicContact CG-CD2 4.39Å
798	D	92.5	Very high	93.3	Very high	36 Å²	36	39.3 Å²	39.3	19%	0.193	19%	0.192	C	C	.	.			trans	-87.1	86.8	-179.5	-176.7	18.9	0	0	0	110.9	Y796 G801 I803 K804 D805 L807	Y796-D798 HydrophobicContact CD2-CB 4.4Å; Y796-D798 HydrophobicContact CE2-CB 4.08Å; D798-G801 WeakPolarHBondContact OD1-CA 3.21Å; D798-G801 PolarHBondContact OD1-N 2.98Å; D798-G801 WeakPolarHBondContact OD2-CA 3.4Å; D798-I803 WeakPolarHBondContact CB-O 3.47Å; D798-K804 VanDerWaalsContact O-CA 3.31Å; D798-K804 WeakPolarHBondContact O-CA 3.41Å; D798-D805 PolarHBondContact N-O 3.29Å; D798-L807 HydrophobicContact CB-CD1 4.07Å
799	C	91	Very high	93.4	Very high	10 Å²	10	31.1 Å²	31.1	7%	0.068	15%	0.154	C	C	.	.	S	Bend	trans	-75.4	-40.2	-173.6	-172.4	0	0	0	0	113.8	C607 H608 L615 F797 K804	C607-C799 HydrophobicContact CB-CB 3.68Å; C607-C799 WeakPolarHBondContact CB-SG 3.44Å; C607-C799 VanDerWaalsContact SG-CA 3.53Å; C607-C799 WeakPolarHBondContact SG-CB 3.39Å; C607-C799 CovalentContact SG-SG 2.04Å; C607-C799 PolarHBondContact SG-SG 2.82Å; H608-C799 PolarHBondContact CE1-SG 3.33Å; H608-C799 PolarHBondContact N-SG 3.41Å; H608-C799 VanDerWaalsContact N-SG 3.45Å; H608-C799 PolarHBondContact ND1-SG 3.06Å; L615-C799 HydrophobicContact CD1-CB 4.3Å; F797-C799 HydrophobicContact CD1-CB 4.17Å; F797-C799 HydrophobicContact CE1-CB 4.42Å; F797-C799 PolarHBondContact O-N 2.99Å; C799-K804 WeakPolarHBondContact O-CE 3.18Å; C799-K804 PolarHBondContact O-NZ 3.16Å
800	D	86.9	Confident	93.6	Very high	121 Å²	121	30.2 Å²	30.2	65%	0.647	15%	0.15	S	C	*	.	S	Bend	trans	-93.7	-14.5	-177	-64	-37.4	0	0	0	113	H608	H608-D800 IonicContact CE1-OD1 3.72Å; H608-D800 PolarHBondContact CE1-OD1 2.73Å; H608-D800 IonicContact ND1-OD1 3.97Å
801	G	85.9	Confident	93.8	Very high	10 Å²	10	29.7 Å²	29.7	10%	0.103	14%	0.144	C	C	.	.	S	Bend	trans	-80.9	-174.3	178.8	0	0	0	0	0	114.4	D798	D798-G801 WeakPolarHBondContact OD1-CA 3.21Å; D798-G801 PolarHBondContact OD1-N 2.98Å; D798-G801 WeakPolarHBondContact OD2-CA 3.4Å
802	L	88.9	Confident	93.9	Very high	55 Å²	55	26.8 Å²	26.8	29%	0.288	13%	0.133	S	C	.	.	S	Bend	trans	-76.5	-26.2	-172.6	-59.9	167.3	0	0	0	112.6	Y710 Y712 I724	Y710-L802 HydrophobicContact CD1-CD1 3.79Å; Y710-L802 HydrophobicContact CE1-CD1 3.72Å; Y712-L802 HydrophobicContact CD1-CB 4.21Å; Y712-L802 HydrophobicContact CD1-CD1 3.53Å; Y712-L802 HydrophobicContact CD1-CG 4.47Å; Y712-L802 HydrophobicContact CD2-CB 4.35Å; Y712-L802 HydrophobicContact CE1-CB 4.12Å; Y712-L802 HydrophobicContact CE1-CD1 3.27Å; Y712-L802 HydrophobicContact CE1-CD2 4.33Å; Y712-L802 HydrophobicContact CE1-CG 4.1Å; Y712-L802 HydrophobicContact CE2-CB 4.29Å; Y712-L802 HydrophobicContact CG-CB 4.33Å; Y712-L802 HydrophobicContact CG-CD1 4.41Å; I724-L802 HydrophobicContact CD1-CD1 3.28Å; I724-L802 HydrophobicContact CD1-CD2 4.3Å; I724-L802 HydrophobicContact CD1-CG 4.11Å; I724-L802 HydrophobicContact CG1-CD1 3.58Å; I724-L802 HydrophobicContact CG2-CD1 4.27Å
803	I	90.7	Very high	94	Very high	15 Å²	15	25.4 Å²	25.4	8%	0.077	13%	0.128	C	C	.	.	S	Bend	trans	-115.5	95.2	-179.7	-63	156.6	0	0	0	108	V685 S686 Y712 D798 D805 L807	V685-I803 HydrophobicContact CB-CD1 4.32Å; V685-I803 HydrophobicContact CG1-CD1 3.67Å; V685-I803 HydrophobicContact CG1-CG1 4.1Å; V685-I803 HydrophobicContact CG1-CG2 3.62Å; S686-I803 VanDerWaalsContact CB-CD1 3.43Å; Y712-I803 HydrophobicContact CD2-CG1 4.45Å; Y712-I803 HydrophobicContact CG-CG1 4.47Å; D798-I803 WeakPolarHBondContact CB-O 3.47Å; I803-D805 VanDerWaalsContact C-N 3.29Å; I803-D805 HydrophobicContact CG2-CB 4.15Å; I803-D805 PolarHBondContact O-N 3.3Å; I803-L807 HydrophobicContact CB-CD1 4.31Å; I803-L807 HydrophobicContact CG2-CD1 4.19Å; I803-L807 HydrophobicContact CG2-CD2 4.04Å
804	K	92.6	Very high	94.1	Very high	81 Å²	81	25 Å²	25	35%	0.352	13%	0.125	S	C	.	.			trans	-81.7	72.3	-177.9	-58.1	-172.8	175.3	-143.6	0	112.3	S604 D798 C799	S604-K804 WeakPolarHBondContact OG-CB 3.24Å; S604-K804 WeakPolarHBondContact OG-CD 3.46Å; D798-K804 VanDerWaalsContact O-CA 3.31Å; D798-K804 WeakPolarHBondContact O-CA 3.41Å; C799-K804 WeakPolarHBondContact O-CE 3.18Å; C799-K804 PolarHBondContact O-NZ 3.16Å
805	D	93.4	Very high	94.2	Very high	36 Å²	36	21 Å²	21	19%	0.193	11%	0.106	C	C	.	.	S	Bend	trans	-149.2	170.5	-176.6	-151.1	-18.7	0	0	0	111	D798 I803 L807 K835	D798-D805 PolarHBondContact N-O 3.29Å; I803-D805 VanDerWaalsContact C-N 3.29Å; I803-D805 HydrophobicContact CG2-CB 4.15Å; I803-D805 PolarHBondContact O-N 3.3Å; D805-L807 PolarHBondContact O-N 3.43Å; D805-K835 WeakPolarHBondContact OD2-CE 3.2Å; D805-K835 IonicContact OD2-NZ 3.9Å; D805-K835 PolarHBondContact OD2-NZ 3.2Å
806	W	95.7	Very high	94.1	Very high	4 Å²	4	21 Å²	21	2%	0.015	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	117.4	170.7	-73.6	100.6	0	0	0	110.6	H598 V599 V602 L615 L617 F797 K835 L836	H598-W806 AromaticContact CD2-CZ2 3.97Å; V599-W806 HydrophobicContact CG1-CG 4.31Å; V599-W806 HydrophobicContact CG2-CZ2 4.47Å; V599-W806 PolarHBondContact O-NE1 3.04Å; V602-W806 HydrophobicContact CB-CZ2 3.99Å; V602-W806 HydrophobicContact CG1-CZ2 4.1Å; V602-W806 HydrophobicContact CG2-CZ2 4.09Å; L615-W806 WeakPolarHBondContact O-CZ3 3.41Å; L617-W806 HydrophobicContact CD1-CE3 4.1Å; L617-W806 HydrophobicContact CD1-CH2 4.33Å; L617-W806 HydrophobicContact CD1-CZ3 3.94Å; L617-W806 HydrophobicContact CD2-CH2 3.88Å; L617-W806 HydrophobicContact CD2-CZ3 4.1Å; L617-W806 HydrophobicContact CG-CE3 4.18Å; L617-W806 HydrophobicContact CG-CH2 3.86Å; L617-W806 HydrophobicContact CG-CZ3 3.53Å; F797-W806 HydrophobicContact CB-CD2 3.95Å; F797-W806 HydrophobicContact CB-CE3 3.83Å; F797-W806 HydrophobicContact CB-CH2 4.09Å; F797-W806 HydrophobicContact CB-CZ2 4.21Å; F797-W806 HydrophobicContact CB-CZ3 3.88Å; F797-W806 HydrophobicContact CD2-CB 4.48Å; F797-W806 AromaticContact CD2-CD1 3.58Å; F797-W806 AromaticContact CD2-CD2 3.79Å; F797-W806 HydrophobicContact CD2-CD2 3.79Å; F797-W806 AromaticContact CD2-CE2 3.72Å; F797-W806 AromaticContact CD2-CG 3.73Å; F797-W806 HydrophobicContact CD2-CG 3.73Å; F797-W806 HydrophobicContact CD2-CZ2 4.42Å; F797-W806 AromaticContact CD2-NE1 3.58Å; F797-W806 HydrophobicContact CE2-CG 4.49Å; F797-W806 HydrophobicContact CG-CD2 4.39Å; W806-K835 WeakPolarHBondContact O-CA 3.4Å; W806-L836 HydrophobicContact CB-CB 3.64Å; W806-L836 HydrophobicContact CB-CD2 3.95Å; W806-L836 HydrophobicContact CB-CG 4.43Å; W806-L836 HydrophobicContact CD2-CD2 4.31Å; W806-L836 HydrophobicContact CE3-CD2 4.37Å; W806-L836 HydrophobicContact CG-CD2 4.17Å; W806-L836 PolarHBondContact O-N 2.91Å
807	L	95.8	Very high	94	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	146.5	-173.4	-61.3	177.7	0	0	0	112.2	P795 Y796 D798 I803 D805 V834	P795-L807 WeakPolarHBondContact CA-O 3.34Å; Y796-L807 HydrophobicContact CE1-CB 4.46Å; Y796-L807 HydrophobicContact CE2-CB 4.48Å; Y796-L807 PolarHBondContact N-O 2.67Å; Y796-L807 PolarHBondContact O-N 3.38Å; D798-L807 HydrophobicContact CB-CD1 4.07Å; I803-L807 HydrophobicContact CB-CD1 4.31Å; I803-L807 HydrophobicContact CG2-CD1 4.19Å; I803-L807 HydrophobicContact CG2-CD2 4.04Å; D805-L807 PolarHBondContact O-N 3.43Å; L807-V834 WeakPolarHBondContact CA-O 3.48Å
808	I	96.4	Very high	93.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119.6	163.3	-55.4	165.1	0	0	0	107.2	V625 W792 P795 S833 V834 L836 L839	V625-I808 HydrophobicContact CG2-CD1 4.24Å; V625-I808 HydrophobicContact CG2-CG2 3.92Å; W792-I808 HydrophobicContact CE3-CG2 3.65Å; W792-I808 HydrophobicContact CZ3-CG2 4Å; P795-I808 HydrophobicContact CB-CG1 4.03Å; P795-I808 HydrophobicContact CG-CD1 4.39Å; P795-I808 HydrophobicContact CG-CG1 4.06Å; I808-S833 WeakPolarHBondContact O-CA 3.43Å; I808-V834 HydrophobicContact CB-CG2 4.1Å; I808-V834 PolarHBondContact N-O 2.6Å; I808-V834 WeakPolarHBondContact O-CG2 3.42Å; I808-V834 PolarHBondContact O-N 3.18Å; I808-L836 HydrophobicContact CD1-CD1 3.68Å; I808-L836 HydrophobicContact CG1-CD1 4.24Å; I808-L839 HydrophobicContact CD1-CB 4.5Å; I808-L839 HydrophobicContact CD1-CD2 3.97Å
809	T	96.5	Very high	92.9	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.7	-177.3	-54.6	0	0	0	0	110.8	T793 Y796 T831 V832 S833	T793-T809 PolarHBondContact N-O 3.44Å; T793-T809 WeakPolarHBondContact OG1-CA 3.42Å; T793-T809 WeakPolarHBondContact OG1-CB 2.88Å; T793-T809 PolarHBondContact OG1-N 3.38Å; T793-T809 PolarHBondContact OG1-O 3.4Å; Y796-T809 PolarHBondContact OH-OG1 3.45Å; T809-T831 HydrophobicContact CG2-CG2 4.15Å; T809-V832 WeakPolarHBondContact CA-O 2.85Å; T809-S833 PolarHBondContact OG1-OG 2.9Å
810	Y	98	Very high	92.2	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.6	164	179.9	-109.5	0	0	0	109.7	G633 A636 Y787 W792 T812 T831 V832	G633-Y810 VanDerWaalsContact O-CE1 3.24Å; G633-Y810 WeakPolarHBondContact O-CE1 3.26Å; A636-Y810 HydrophobicContact CB-CD1 3.82Å; A636-Y810 HydrophobicContact CB-CE1 4.12Å; Y787-Y810 HydrophobicContact CD2-CE1 4.46Å; Y787-Y810 HydrophobicContact CD2-CE2 4.27Å; Y787-Y810 AromaticContact CD2-CZ 3.79Å; Y787-Y810 WeakPolarHBondContact CD2-OH 3.47Å; Y787-Y810 HydrophobicContact CE2-CE1 4.29Å; Y787-Y810 AromaticContact CE2-CE2 3.85Å; Y787-Y810 HydrophobicContact CE2-CE2 3.85Å; Y787-Y810 AromaticContact CE2-CZ 3.71Å; Y787-Y810 PolarHBondContact O-OH 2.87Å; W792-Y810 AromaticContact CD1-CD2 3.64Å; W792-Y810 AromaticContact CD2-CD2 3.73Å; W792-Y810 HydrophobicContact CD2-CD2 3.73Å; W792-Y810 HydrophobicContact CD2-CG 4.23Å; W792-Y810 AromaticContact CE2-CD2 3.39Å; W792-Y810 AromaticContact CE2-CG 3.92Å; W792-Y810 HydrophobicContact CE3-CD2 4.43Å; W792-Y810 AromaticContact CG-CD2 3.93Å; W792-Y810 HydrophobicContact CG-CD2 3.93Å; W792-Y810 HydrophobicContact CH2-CG 4.39Å; W792-Y810 AromaticContact CZ2-CD2 3.92Å; W792-Y810 HydrophobicContact CZ2-CD2 3.92Å; W792-Y810 HydrophobicContact CZ2-CG 4.01Å; W792-Y810 AromaticContact NE1-CD2 3.29Å; W792-Y810 VanDerWaalsContact NE1-CD2 3.29Å; W792-Y810 AromaticContact NE1-CE2 3.74Å; Y810-T812 HydrophobicContact CE1-CG2 4.1Å; Y810-T831 CarbonylContact O-C 3.44Å; Y810-T831 WeakPolarHBondContact O-CA 3.33Å; Y810-V832 PolarHBondContact N-O 3.49Å; Y810-V832 PolarHBondContact O-N 2.92Å
811	A	98.1	Very high	91.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.2	-179.2	0	0	0	0	0	110.2	W739 L743 G790 Y791 V829 V830 T831	W739-A811 HydrophobicContact CB-CB 3.95Å; W739-A811 HydrophobicContact CE3-CB 4.24Å; W739-A811 HydrophobicContact CG-CB 4.48Å; L743-A811 HydrophobicContact CD1-CB 3.73Å; G790-A811 CarbonylContact C-O 3.53Å; G790-A811 WeakPolarHBondContact CA-O 3.39Å; Y791-A811 PolarHBondContact N-O 2.86Å; Y791-A811 PolarHBondContact O-N 3.14Å; A811-V829 HydrophobicContact CB-CG1 3.75Å; A811-V830 WeakPolarHBondContact CA-O 3.37Å; A811-T831 HydrophobicContact CB-CG2 4.13Å
812	T	97.6	Very high	91.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.2	179.3	179.6	0	0	0	0	110.8	A636 S640 Y810 V829 V830	A636-T812 HydrophobicContact CB-CG2 4.01Å; S640-T812 PolarHBondContact OG-OG1 2.8Å; Y810-T812 HydrophobicContact CE1-CG2 4.1Å; T812-V829 CarbonylContact O-C 3.53Å; T812-V829 WeakPolarHBondContact O-CA 3.29Å; T812-V829 WeakPolarHBondContact O-CG1 3.26Å; T812-V830 HydrophobicContact CG2-CB 4.02Å; T812-V830 PolarHBondContact N-O 3.1Å; T812-V830 PolarHBondContact O-N 2.98Å
813	P	97.4	Very high	91.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	157.4	-178.1	34.5	-37	0	0	0	111.4	S640 P785 F815 F826 G828	S640-P813 WeakPolarHBondContact CB-O 3.39Å; P785-P813 HydrophobicContact CB-CG 4.09Å; P785-P813 HydrophobicContact CG-CG 4.19Å; P785-P813 WeakPolarHBondContact CG-O 3.26Å; P813-F815 HydrophobicContact CB-CE2 4.12Å; P813-F815 HydrophobicContact CB-CZ 3.92Å; P813-F815 HydrophobicContact CG-CE2 3.94Å; P813-F815 HydrophobicContact CG-CZ 3.91Å; P813-F826 HydrophobicContact CB-CD2 4.1Å; P813-F826 HydrophobicContact CB-CE2 3.81Å; P813-G828 WeakPolarHBondContact CA-O 3.36Å
814	F	97.3	Very high	92	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.1	165.4	64.2	-88.8	0	0	0	111.2	S640 L643 S644 Y647 I689 F691 M827 G828 V829 V830	S640-F814 WeakPolarHBondContact O-CB 3.49Å; L643-F814 HydrophobicContact CB-CB 4.17Å; L643-F814 HydrophobicContact CB-CD2 3.81Å; L643-F814 HydrophobicContact CB-CE2 4.38Å; L643-F814 HydrophobicContact CB-CG 3.99Å; L643-F814 HydrophobicContact CD1-CD1 3.91Å; L643-F814 HydrophobicContact CD1-CD2 4.11Å; L643-F814 HydrophobicContact CD1-CE1 3.89Å; L643-F814 HydrophobicContact CD1-CE2 4.11Å; L643-F814 HydrophobicContact CD1-CG 4.02Å; L643-F814 HydrophobicContact CD1-CZ 4Å; S644-F814 WeakPolarHBondContact OG-CA 3.42Å; S644-F814 WeakPolarHBondContact OG-CB 3.49Å; Y647-F814 HydrophobicContact CE2-CE2 4.4Å; I689-F814 HydrophobicContact CG2-CE1 3.76Å; I689-F814 HydrophobicContact CG2-CZ 3.91Å; F691-F814 HydrophobicContact CD1-CE2 4.05Å; F691-F814 AromaticContact CD1-CZ 3.84Å; F691-F814 HydrophobicContact CD1-CZ 3.84Å; F691-F814 AromaticContact CE1-CE2 3.69Å; F691-F814 HydrophobicContact CE1-CE2 3.69Å; F691-F814 AromaticContact CE1-CZ 3.72Å; F691-F814 HydrophobicContact CE1-CZ 3.72Å; F691-F814 HydrophobicContact CE2-CZ 4.4Å; F691-F814 HydrophobicContact CG-CZ 4.26Å; F691-F814 HydrophobicContact CZ-CE2 4.25Å; F691-F814 HydrophobicContact CZ-CZ 4.01Å; F814-M827 HydrophobicContact CD2-CB 3.77Å; F814-M827 HydrophobicContact CE2-CB 3.49Å; F814-M827 VanDerWaalsContact CE2-CB 3.49Å; F814-M827 HydrophobicContact CZ-CB 4.37Å; F814-M827 PolarHBondContact O-N 2.8Å; F814-G828 VanDerWaalsContact CD1-C 3.43Å; F814-G828 WeakPolarHBondContact CD1-O 3.27Å; F814-G828 PolarHBondContact N-O 3.49Å; F814-V829 VanDerWaalsContact CE1-N 3.29Å; F814-V830 HydrophobicContact CD1-CG2 3.86Å; F814-V830 HydrophobicContact CE1-CG2 4.2Å
815	F	96.3	Very high	92	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.3	-167.9	-54.5	-86.4	0	0	0	111.8	S644 Q648 W747 R751 L754 P813 L824 R825 F826	S644-F815 VanDerWaalsContact CA-O 3.22Å; S644-F815 WeakPolarHBondContact CA-O 3.38Å; S644-F815 PolarHBondContact OG-N 3.43Å; S644-F815 VanDerWaalsContact OG-N 3.07Å; Q648-F815 PolarHBondContact NE2-O 3.47Å; Q648-F815 VanDerWaalsContact NE2-O 3.08Å; W747-F815 HydrophobicContact CB-CE1 4.02Å; W747-F815 HydrophobicContact CB-CZ 4.26Å; W747-F815 HydrophobicContact CD2-CE1 4.28Å; W747-F815 AromaticContact CD2-CZ 3.73Å; W747-F815 HydrophobicContact CD2-CZ 3.73Å; W747-F815 HydrophobicContact CE3-CE1 4.48Å; W747-F815 HydrophobicContact CE3-CZ 4.07Å; W747-F815 HydrophobicContact CG-CE1 4.1Å; W747-F815 AromaticContact CG-CZ 3.83Å; W747-F815 HydrophobicContact CG-CZ 3.83Å; R751-F815 HydrophobicContact CG-CD1 4.49Å; R751-F815 HydrophobicContact CG-CE1 4.1Å; L754-F815 HydrophobicContact CD1-CD1 4.39Å; L754-F815 HydrophobicContact CD1-CD2 3.74Å; L754-F815 HydrophobicContact CD1-CE1 4.33Å; L754-F815 HydrophobicContact CD1-CE2 3.69Å; L754-F815 HydrophobicContact CD1-CG 4.11Å; L754-F815 HydrophobicContact CD1-CZ 3.99Å; L754-F815 HydrophobicContact CD2-CD2 4.13Å; L754-F815 HydrophobicContact CD2-CE2 3.4Å; L754-F815 HydrophobicContact CD2-CZ 3.85Å; L754-F815 HydrophobicContact CG-CE2 4.2Å; L754-F815 HydrophobicContact CG-CZ 4.5Å; P813-F815 HydrophobicContact CB-CE2 4.12Å; P813-F815 HydrophobicContact CB-CZ 3.92Å; P813-F815 HydrophobicContact CG-CE2 3.94Å; P813-F815 HydrophobicContact CG-CZ 3.91Å; F815-L824 HydrophobicContact CB-CD1 3.63Å; F815-L824 HydrophobicContact CB-CD2 4.39Å; F815-L824 HydrophobicContact CB-CG 3.98Å; F815-R825 VanDerWaalsContact CA-O 3.24Å; F815-R825 WeakPolarHBondContact CA-O 3.27Å; F815-F826 HydrophobicContact CD1-CB 4.45Å; F815-F826 HydrophobicContact CE1-CB 4.4Å; F815-F826 HydrophobicContact CE1-CD2 4.35Å
816	G	94.3	Very high	92.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	171.3	175.1	0	0	0	0	0	112.4	L824 R825 M827	G816-L824 CarbonylContact O-C 3.58Å; G816-L824 WeakPolarHBondContact O-CA 3.46Å; G816-R825 PolarHBondContact N-O 3.41Å; G816-R825 PolarHBondContact O-N 2.93Å; G816-M827 WeakPolarHBondContact CA-SD 3.48Å
817	V	92.4	Very high	92.1	Very high	57 Å²	57	40.8 Å²	40.8	35%	0.345	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	118.2	177.7	177.7	0	0	0	0	108.2	Y647 Q648 K822	Y647-V817 PolarHBondContact O-N 3.05Å; Q648-V817 HydrophobicContact CB-CG2 4.28Å; Q648-V817 HydrophobicContact CG-CG2 4.11Å; V817-K822 VanDerWaalsContact CG1-CA 3.41Å; V817-K822 HydrophobicContact CG1-CB 3.77Å; V817-K822 HydrophobicContact CG1-CG 4.25Å
818	V	85.2	Confident	92.1	Very high	48 Å²	48	40.8 Å²	40.8	29%	0.291	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.3	-177.3	-177.4	0	0	0	0	110	M695 A823	M695-V818 HydrophobicContact SD-CG2 4.35Å; V818-A823 PolarHBondContact N-O 2.71Å
819	G	80.1	Confident	92.2	Very high	52 Å²	52	40.8 Å²	40.8	54%	0.536	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	172	179.3	0	0	0	0	0	113.9	E821 K822	G819-E821 VanDerWaalsContact C-N 3.34Å; G819-E821 PolarHBondContact O-N 2.78Å; G819-K822 PolarHBondContact O-N 2.94Å
820	E	76.8	Confident	92.3	Very high	196 Å²	196	40.7 Å²	40.7	92%	0.916	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-32.6	-175.8	-62.4	-177.4	171	0	0	113	K822	E820-K822 PolarHBondContact O-N 2.94Å; E820-K822 VanDerWaalsContact O-N 3.07Å
821	E	80.5	Confident	92.3	Very high	166 Å²	166	40.8 Å²	40.8	78%	0.776	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-6.9	178.8	-63.2	179.1	169.4	0	0	113.8	G819 A823	G819-E821 VanDerWaalsContact C-N 3.34Å; G819-E821 PolarHBondContact O-N 2.78Å; E821-A823 PolarHBondContact O-N 2.82Å
822	K	84.6	Confident	92.2	Very high	169 Å²	169	40.9 Å²	40.9	74%	0.735	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	38.7	-173.2	-62.4	-175.3	178.1	-177.3	0	112.8	V817 G819 E820	V817-K822 VanDerWaalsContact CG1-CA 3.41Å; V817-K822 HydrophobicContact CG1-CB 3.77Å; V817-K822 HydrophobicContact CG1-CG 4.25Å; G819-K822 PolarHBondContact O-N 2.94Å; E820-K822 PolarHBondContact O-N 2.94Å; E820-K822 VanDerWaalsContact O-N 3.07Å
823	A	89.3	Confident	92.2	Very high	26 Å²	26	41 Å²	41	22%	0.215	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	133.5	176.9	0	0	0	0	0	110.8	V818 E821 R825	V818-A823 PolarHBondContact N-O 2.71Å; E821-A823 PolarHBondContact O-N 2.82Å; A823-R825 PolarHBondContact O-N 3.37Å
824	L	93	Very high	92.1	Very high	19 Å²	19	41 Å²	41	10%	0.099	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	129.6	168.2	-172.7	68.6	0	0	0	108	Q648 R751 L754 R783 F815 G816	Q648-L824 HydrophobicContact CG-CD1 3.89Å; R751-L824 HydrophobicContact CB-CD2 4.25Å; R751-L824 PolarHBondContact NE-O 3.22Å; R751-L824 PolarHBondContact NH1-O 3.08Å; R751-L824 PolarHBondContact NH2-O 3.01Å; L754-L824 HydrophobicContact CD1-CD2 3.79Å; R783-L824 HydrophobicContact CB-CD2 4.08Å; F815-L824 HydrophobicContact CB-CD1 3.63Å; F815-L824 HydrophobicContact CB-CD2 4.39Å; F815-L824 HydrophobicContact CB-CG 3.98Å; G816-L824 CarbonylContact O-C 3.58Å; G816-L824 WeakPolarHBondContact O-CA 3.46Å
825	R	92.9	Very high	91.9	Very high	99 Å²	99	44.2 Å²	44.2	37%	0.374	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151.7	178.9	-66.5	-166.9	-176.7	175.1	-2.1	111.3	F815 G816 A823 M827	F815-R825 VanDerWaalsContact CA-O 3.24Å; F815-R825 WeakPolarHBondContact CA-O 3.27Å; G816-R825 PolarHBondContact N-O 3.41Å; G816-R825 PolarHBondContact O-N 2.93Å; A823-R825 PolarHBondContact O-N 3.37Å; R825-M827 PolarHBondContact O-N 2.9Å
826	F	95.2	Very high	91.8	Very high	15 Å²	15	44.2 Å²	44.2	7%	0.066	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	122	168.4	174.4	-88.4	0	0	0	107.8	D692 F740 L743 K744 W747 P813 F815 V829	D692-F826 HydrophobicContact CB-CD1 4.24Å; D692-F826 HydrophobicContact CB-CE1 4.15Å; F740-F826 HydrophobicContact CE1-CE1 4.25Å; F740-F826 HydrophobicContact CE2-CE1 4.42Å; F740-F826 HydrophobicContact CE2-CZ 4.48Å; F740-F826 AromaticContact CZ-CE1 3.9Å; F740-F826 HydrophobicContact CZ-CE1 3.9Å; F740-F826 HydrophobicContact CZ-CZ 4.33Å; L743-F826 HydrophobicContact CB-CE2 4.35Å; K744-F826 HydrophobicContact CB-CE1 4.01Å; K744-F826 HydrophobicContact CB-CZ 4.01Å; K744-F826 HydrophobicContact CD-CE1 4.31Å; K744-F826 HydrophobicContact CG-CD1 4.28Å; K744-F826 HydrophobicContact CG-CE1 4.14Å; W747-F826 HydrophobicContact CB-CD2 4.49Å; P813-F826 HydrophobicContact CB-CD2 4.1Å; P813-F826 HydrophobicContact CB-CE2 3.81Å; F815-F826 HydrophobicContact CD1-CB 4.45Å; F815-F826 HydrophobicContact CE1-CB 4.4Å; F815-F826 HydrophobicContact CE1-CD2 4.35Å; F826-V829 HydrophobicContact CE2-CG2 4.02Å; F826-V829 HydrophobicContact CZ-CG2 3.57Å
827	M	95.4	Very high	91.7	Very high	7 Å²	7	47.1 Å²	47.1	3%	0.034	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	-24	179.9	-72.3	-169.1	81.5	0	0	112.9	Y647 F691 D692 M695 F814 G816 R825	Y647-M827 VanDerWaalsContact CB-SD 3.55Å; Y647-M827 HydrophobicContact CD1-CE 3.69Å; Y647-M827 HydrophobicContact CD1-SD 3.96Å; Y647-M827 HydrophobicContact CD2-CE 4.13Å; Y647-M827 HydrophobicContact CD2-SD 3.78Å; Y647-M827 HydrophobicContact CE1-CE 3.84Å; Y647-M827 HydrophobicContact CE2-CE 4.27Å; Y647-M827 HydrophobicContact CE2-SD 4.44Å; Y647-M827 HydrophobicContact CG-CE 3.85Å; Y647-M827 HydrophobicContact CG-SD 3.51Å; Y647-M827 VanDerWaalsContact CG-SD 3.51Å; F691-M827 CarbonylContact C-O 3.46Å; F691-M827 WeakPolarHBondContact CA-O 3.42Å; D692-M827 PolarHBondContact N-O 3.16Å; M695-M827 HydrophobicContact CB-CB 4.39Å; M695-M827 HydrophobicContact CB-CE 4.26Å; M695-M827 WeakPolarHBondContact CB-O 3.36Å; M695-M827 WeakPolarHBondContact O-CE 3.33Å; F814-M827 HydrophobicContact CD2-CB 3.77Å; F814-M827 HydrophobicContact CE2-CB 3.49Å; F814-M827 VanDerWaalsContact CE2-CB 3.49Å; F814-M827 HydrophobicContact CZ-CB 4.37Å; F814-M827 PolarHBondContact O-N 2.8Å; G816-M827 WeakPolarHBondContact CA-SD 3.48Å; R825-M827 PolarHBondContact O-N 2.9Å
828	G	96.8	Very high	91.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.7	-167.9	-176.3	0	0	0	0	0	113.7	F690 P813 F814	F690-G828 CarbonylContact O-C 3.49Å; F690-G828 WeakPolarHBondContact O-CA 3.31Å; P813-G828 WeakPolarHBondContact CA-O 3.36Å; F814-G828 VanDerWaalsContact CD1-C 3.43Å; F814-G828 WeakPolarHBondContact CD1-O 3.27Å; F814-G828 PolarHBondContact N-O 3.49Å
829	V	98.1	Very high	91.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	141.2	-177.2	-178.5	0	0	0	0	110.3	F690 W739 F740 L743 A811 T812 F814 F826 T831	F690-V829 PolarHBondContact N-O 3.16Å; F690-V829 PolarHBondContact O-N 3Å; W739-V829 HydrophobicContact CE3-CB 4.33Å; W739-V829 HydrophobicContact CE3-CG1 3.88Å; W739-V829 HydrophobicContact CZ3-CB 3.95Å; W739-V829 HydrophobicContact CZ3-CG1 3.89Å; W739-V829 HydrophobicContact CZ3-CG2 4.44Å; F740-V829 HydrophobicContact CD2-CB 4.2Å; F740-V829 HydrophobicContact CD2-CG2 3.76Å; F740-V829 HydrophobicContact CE2-CG2 4.07Å; F740-V829 HydrophobicContact CG-CG2 4.44Å; L743-V829 HydrophobicContact CB-CG2 4.28Å; L743-V829 HydrophobicContact CD1-CB 4.47Å; L743-V829 HydrophobicContact CD1-CG1 3.68Å; L743-V829 HydrophobicContact CD1-CG2 3.91Å; A811-V829 HydrophobicContact CB-CG1 3.75Å; T812-V829 CarbonylContact O-C 3.53Å; T812-V829 WeakPolarHBondContact O-CA 3.29Å; T812-V829 WeakPolarHBondContact O-CG1 3.26Å; F814-V829 VanDerWaalsContact CE1-N 3.29Å; F826-V829 HydrophobicContact CE2-CG2 4.02Å; F826-V829 HydrophobicContact CZ-CG2 3.57Å; V829-T831 HydrophobicContact CG1-CG2 4.09Å
830	V	98.4	Very high	92.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.6	166.4	-178.8	0	0	0	0	108.8	A636 L639 L643 G688 I689 A811 T812 F814	A636-V830 HydrophobicContact CB-CG1 4.08Å; L639-V830 HydrophobicContact CB-CG1 4.1Å; L639-V830 HydrophobicContact CB-CG2 4.5Å; L639-V830 HydrophobicContact CD2-CG1 3.83Å; L639-V830 HydrophobicContact CG-CG1 4.12Å; L639-V830 HydrophobicContact CG-CG2 4.16Å; L643-V830 HydrophobicContact CD1-CG2 3.92Å; G688-V830 CarbonylContact O-C 3.45Å; G688-V830 WeakPolarHBondContact O-CA 3.44Å; I689-V830 HydrophobicContact CG1-CG2 4.38Å; I689-V830 HydrophobicContact CG2-CG2 4.45Å; A811-V830 WeakPolarHBondContact CA-O 3.37Å; T812-V830 HydrophobicContact CG2-CB 4.02Å; T812-V830 PolarHBondContact N-O 3.1Å; T812-V830 PolarHBondContact O-N 2.98Å; F814-V830 HydrophobicContact CD1-CG2 3.86Å; F814-V830 HydrophobicContact CE1-CG2 4.2Å
831	T	97.6	Very high	93.1	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	153.3	176.8	76.9	0	0	0	0	113.3	S687 G688 F690 W739 T809 Y810 A811 V829	S687-T831 VanDerWaalsContact CA-O 3.23Å; S687-T831 WeakPolarHBondContact CA-O 3.28Å; S687-T831 PolarHBondContact OG-O 2.99Å; G688-T831 PolarHBondContact N-O 3.17Å; G688-T831 PolarHBondContact O-N 3.04Å; F690-T831 HydrophobicContact CD2-CG2 3.93Å; F690-T831 HydrophobicContact CE2-CG2 3.76Å; F690-T831 WeakPolarHBondContact CE2-OG1 3.36Å; W739-T831 HydrophobicContact CD2-CG2 4.33Å; W739-T831 HydrophobicContact CE3-CG2 3.92Å; W739-T831 HydrophobicContact CH2-CG2 4.17Å; W739-T831 HydrophobicContact CZ3-CG2 3.8Å; T809-T831 HydrophobicContact CG2-CG2 4.15Å; Y810-T831 CarbonylContact O-C 3.44Å; Y810-T831 WeakPolarHBondContact O-CA 3.33Å; A811-T831 HydrophobicContact CB-CG2 4.13Å; V829-T831 HydrophobicContact CG1-CG2 4.09Å
832	V	97.4	Very high	93.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	132.2	166.5	166.1	0	0	0	0	108.3	V632 A636 I684 S686 S687 T809 Y810	V632-V832 HydrophobicContact CG1-CG1 3.48Å; V632-V832 VanDerWaalsContact CG1-CG1 3.48Å; A636-V832 HydrophobicContact CB-CB 4.1Å; A636-V832 HydrophobicContact CB-CG2 3.63Å; I684-V832 HydrophobicContact CB-CG1 4.38Å; I684-V832 HydrophobicContact CD1-CG1 3.83Å; I684-V832 HydrophobicContact CD1-CG2 4.42Å; I684-V832 HydrophobicContact CG1-CG1 3.69Å; I684-V832 HydrophobicContact CG2-CG1 4Å; S686-V832 WeakPolarHBondContact O-CA 3.02Å; S687-V832 WeakPolarHBondContact OG-CG2 3.38Å; T809-V832 WeakPolarHBondContact CA-O 2.85Å; Y810-V832 PolarHBondContact N-O 3.49Å; Y810-V832 PolarHBondContact O-N 2.92Å
833	S	96.8	Very high	93.9	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.014	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.9	179.6	-58	0	0	0	0	111.8	V685 S686 I808 T809	V685-S833 PolarHBondContact N-O 3.25Å; S686-S833 PolarHBondContact O-N 3.46Å; S686-S833 WeakPolarHBondContact OG-CB 3.47Å; S686-S833 PolarHBondContact OG-OG 3.44Å; I808-S833 WeakPolarHBondContact O-CA 3.43Å; T809-S833 PolarHBondContact OG1-OG 2.9Å
834	V	95.2	Very high	93.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	157.1	173.6	-61.2	0	0	0	0	110.1	F629 V632 W792 L807 I808	F629-V834 HydrophobicContact CD1-CG1 4.16Å; F629-V834 HydrophobicContact CD2-CG2 4.18Å; F629-V834 HydrophobicContact CE1-CG1 4.46Å; F629-V834 HydrophobicContact CE2-CG2 4.24Å; F629-V834 HydrophobicContact CG-CG1 4.46Å; F629-V834 HydrophobicContact CG-CG2 4.34Å; F629-V834 HydrophobicContact CZ-CG2 4.48Å; V632-V834 HydrophobicContact CB-CG1 4.49Å; V632-V834 HydrophobicContact CG1-CG1 3.71Å; W792-V834 HydrophobicContact CZ3-CG2 4.37Å; L807-V834 WeakPolarHBondContact CA-O 3.48Å; I808-V834 HydrophobicContact CB-CG2 4.1Å; I808-V834 PolarHBondContact N-O 2.6Å; I808-V834 WeakPolarHBondContact O-CG2 3.42Å; I808-V834 PolarHBondContact O-N 3.18Å
835	K	94.1	Very high	93.7	Very high	69 Å²	69	17.8 Å²	17.8	30%	0.3	9%	0.09	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.4	175.1	-58	-168	174.8	-140.3	0	111.1	V685 D805 W806 T837 S838	V685-K835 HydrophobicContact CG2-CD 4.4Å; V685-K835 HydrophobicContact CG2-CG 3.48Å; V685-K835 VanDerWaalsContact CG2-CG 3.48Å; D805-K835 WeakPolarHBondContact OD2-CE 3.2Å; D805-K835 IonicContact OD2-NZ 3.9Å; D805-K835 PolarHBondContact OD2-NZ 3.2Å; W806-K835 WeakPolarHBondContact O-CA 3.4Å; K835-T837 PolarHBondContact O-N 3.36Å; K835-S838 WeakPolarHBondContact O-CB 3.03Å; K835-S838 PolarHBondContact O-N 2.74Å; K835-S838 VanDerWaalsContact O-N 3.12Å
836	L	94.3	Very high	93.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-59.1	-37.9	171.5	176.7	63.6	0	0	0	111.4	V599 L617 V621 P795 W806 I808 S838 L839 F875	V599-L836 HydrophobicContact CG1-CD2 4.33Å; V599-L836 HydrophobicContact CG2-CD2 4.11Å; L617-L836 HydrophobicContact CD1-CD2 3.59Å; V621-L836 HydrophobicContact CG1-CD1 4.24Å; P795-L836 HydrophobicContact CB-CD1 4.07Å; P795-L836 HydrophobicContact CB-CD2 4.13Å; P795-L836 HydrophobicContact CG-CD1 4.07Å; W806-L836 HydrophobicContact CB-CB 3.64Å; W806-L836 HydrophobicContact CB-CD2 3.95Å; W806-L836 HydrophobicContact CB-CG 4.43Å; W806-L836 HydrophobicContact CD2-CD2 4.31Å; W806-L836 HydrophobicContact CE3-CD2 4.37Å; W806-L836 HydrophobicContact CG-CD2 4.17Å; W806-L836 PolarHBondContact O-N 2.91Å; I808-L836 HydrophobicContact CD1-CD1 3.68Å; I808-L836 HydrophobicContact CG1-CD1 4.24Å; L836-S838 PolarHBondContact O-N 2.88Å; L836-L839 HydrophobicContact CD1-CD2 4.14Å; L836-L839 VanDerWaalsContact O-CB 3.24Å; L836-L839 WeakPolarHBondContact O-CB 2.98Å; L836-L839 PolarHBondContact O-N 3.35Å; L836-F875 HydrophobicContact CD1-CD2 3.97Å; L836-F875 HydrophobicContact CD1-CE2 3.59Å; L836-F875 HydrophobicContact CD1-CZ 4.15Å; L836-F875 HydrophobicContact CD2-CE1 4.41Å; L836-F875 HydrophobicContact CD2-CE2 4.32Å; L836-F875 HydrophobicContact CD2-CZ 4.08Å; L836-F875 HydrophobicContact CG-CD2 4.06Å; L836-F875 HydrophobicContact CG-CE2 3.9Å; L836-F875 HydrophobicContact CG-CG 4.46Å; L836-F875 HydrophobicContact CG-CZ 4.15Å
837	T	91.3	Very high	92.6	Very high	60 Å²	60	16 Å²	16	37%	0.368	9%	0.09	S	C	.	.	G	3₁₀ helix	trans	-59.3	-22.8	179.2	59.1	0	0	0	0	112.8	K835 Y874 F875	K835-T837 PolarHBondContact O-N 3.36Å; T837-Y874 WeakPolarHBondContact O-CB 3.44Å; T837-F875 PolarHBondContact O-N 3.11Å; T837-F875 VanDerWaalsContact O-N 3.14Å
838	S	90.2	Very high	91.6	Very high	21 Å²	21	24.1 Å²	24.1	15%	0.147	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-82.2	-12.8	178.3	-60.6	0	0	0	0	113.6	Q628 K835 L836	Q628-S838 PolarHBondContact NE2-O 3.41Å; K835-S838 WeakPolarHBondContact O-CB 3.03Å; K835-S838 PolarHBondContact O-N 2.74Å; K835-S838 VanDerWaalsContact O-N 3.12Å; L836-S838 PolarHBondContact O-N 2.88Å
839	L	92.1	Very high	90.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.157	C	C	.	.	S	Bend	trans	-76.8	136.2	-179.1	-176.1	72.7	0	0	0	110.8	V621 V625 F629 I808 L836 Y874 F875	V621-L839 WeakPolarHBondContact O-CD2 3.1Å; V625-L839 HydrophobicContact CB-CD1 3.94Å; V625-L839 HydrophobicContact CG2-CD1 4.23Å; F629-L839 HydrophobicContact CD2-CD1 4.22Å; F629-L839 HydrophobicContact CE2-CB 4.25Å; F629-L839 HydrophobicContact CE2-CD1 3.8Å; I808-L839 HydrophobicContact CD1-CB 4.5Å; I808-L839 HydrophobicContact CD1-CD2 3.97Å; L836-L839 HydrophobicContact CD1-CD2 4.14Å; L836-L839 VanDerWaalsContact O-CB 3.24Å; L836-L839 WeakPolarHBondContact O-CB 2.98Å; L836-L839 PolarHBondContact O-N 3.35Å; L839-Y874 CarbonylContact O-C 3.44Å; L839-F875 HydrophobicContact CB-CD2 4.46Å; L839-F875 WeakPolarHBondContact O-CA 3.49Å; L839-F875 PolarHBondContact O-N 3.02Å
840	D	90.6	Very high	90.2	Very high	19 Å²	19	33.2 Å²	33.2	10%	0.102	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-83.6	137.9	174.3	-65.3	-38.6	0	0	0	111.3	R872 H873 Y874	D840-R872 WeakPolarHBondContact OD1-CA 3.26Å; D840-R872 PolarHBondContact OD1-N 3.23Å; D840-R872 WeakPolarHBondContact OD2-CA 3.05Å; D840-R872 PolarHBondContact OD2-N 2.97Å; D840-H873 PolarHBondContact OD1-N 3.02Å; D840-Y874 PolarHBondContact OD1-N 3.43Å
841	I	90.7	Very high	89.7	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-95.1	133.9	179.5	-65.1	172.5	0	0	0	111	I596 Q843 F854 L869 F875	I596-I841 HydrophobicContact CD1-CD1 4.34Å; I841-Q843 HydrophobicContact CG2-CG 3.85Å; I841-F854 HydrophobicContact CB-CD2 4.38Å; I841-F854 HydrophobicContact CB-CG 4.43Å; I841-F854 HydrophobicContact CD1-CD1 4.34Å; I841-F854 HydrophobicContact CD1-CE1 3.8Å; I841-F854 HydrophobicContact CD1-CE2 4.35Å; I841-F854 HydrophobicContact CD1-CZ 3.79Å; I841-F854 HydrophobicContact CG1-CD2 4.3Å; I841-F854 HydrophobicContact CG1-CE1 4.24Å; I841-F854 HydrophobicContact CG1-CE2 3.94Å; I841-F854 HydrophobicContact CG1-CZ 3.9Å; I841-F854 HydrophobicContact CG2-CB 3.47Å; I841-F854 VanDerWaalsContact CG2-CB 3.47Å; I841-F854 HydrophobicContact CG2-CD1 3.46Å; I841-F854 VanDerWaalsContact CG2-CD1 3.46Å; I841-F854 HydrophobicContact CG2-CD2 3.51Å; I841-F854 HydrophobicContact CG2-CE1 3.98Å; I841-F854 HydrophobicContact CG2-CE2 4Å; I841-F854 HydrophobicContact CG2-CG 3.19Å; I841-F854 HydrophobicContact CG2-CZ 4.22Å; I841-L869 WeakPolarHBondContact O-CD1 3.29Å; I841-F875 HydrophobicContact CD1-CB 4.39Å; I841-F875 HydrophobicContact CD1-CD1 4.03Å; I841-F875 HydrophobicContact CD1-CD2 3.65Å; I841-F875 HydrophobicContact CD1-CE1 4.2Å; I841-F875 HydrophobicContact CD1-CE2 3.83Å; I841-F875 HydrophobicContact CD1-CG 3.76Å; I841-F875 HydrophobicContact CD1-CZ 4.12Å; I841-F875 HydrophobicContact CG1-CD2 3.67Å; I841-F875 HydrophobicContact CG1-CE2 3.91Å; I841-F875 HydrophobicContact CG1-CG 4.22Å
842	N	91.1	Very high	89.3	Confident	30 Å²	30	37 Å²	37	16%	0.16	19%	0.188	C	C	.	.			trans	-106.5	102.7	173.4	-172.5	-1.3	0	0	0	112.9	C844 N852 L869	N842-C844 WeakPolarHBondContact OD1-CB 3.3Å; N842-C844 PolarHBondContact OD1-N 2.93Å; N842-C844 VanDerWaalsContact OD1-N 3.12Å; N842-N852 PolarHBondContact O-ND2 3.46Å; N842-L869 HydrophobicContact CB-CD1 4.33Å; N842-L869 HydrophobicContact CB-CD2 4.17Å
843	Q	90.8	Very high	89	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.19	C	C	.	.			trans	-90.5	-7.2	-178.8	-62.7	175.8	-83.7	0	0	114.7	I841 F854 N856 T857 A858 Y880 E905	I841-Q843 HydrophobicContact CG2-CG 3.85Å; Q843-F854 VanDerWaalsContact CA-O 3.25Å; Q843-F854 WeakPolarHBondContact CA-O 3.34Å; Q843-F854 HydrophobicContact CG-CB 4.25Å; Q843-N856 PolarHBondContact O-N 3.05Å; Q843-T857 WeakPolarHBondContact CB-OG1 3.49Å; Q843-T857 WeakPolarHBondContact CG-OG1 3.21Å; Q843-T857 PolarHBondContact NE2-OG1 3.32Å; Q843-T857 PolarHBondContact O-N 3.39Å; Q843-A858 HydrophobicContact CB-CB 4.23Å; Q843-A858 WeakPolarHBondContact O-CB 3.16Å; Q843-A858 PolarHBondContact O-N 2.98Å; Q843-A858 VanDerWaalsContact O-N 3.17Å; Q843-Y880 HydrophobicContact CB-CD1 4.03Å; Q843-Y880 HydrophobicContact CB-CE1 4.38Å; Q843-E905 PolarHBondContact NE2-OE1 3.33Å; Q843-E905 PolarHBondContact OE1-OE1 2.83Å
844	C	90.7	Very high	88.8	Confident	10 Å²	10	37.5 Å²	37.5	7%	0.068	19%	0.19	C	C	.	.	S	Bend	trans	-67.8	156.3	-176	-68.3	0	0	0	0	112	N842 Q846 C867 K868 L869	N842-C844 WeakPolarHBondContact OD1-CB 3.3Å; N842-C844 PolarHBondContact OD1-N 2.93Å; N842-C844 VanDerWaalsContact OD1-N 3.12Å; C844-Q846 PolarHBondContact O-N 3.38Å; C844-C867 WeakPolarHBondContact CA-SG 3.43Å; C844-C867 HydrophobicContact CB-CB 3.68Å; C844-C867 WeakPolarHBondContact CB-SG 3.49Å; C844-C867 WeakPolarHBondContact SG-CB 3.27Å; C844-C867 CovalentContact SG-SG 2.05Å; C844-C867 PolarHBondContact SG-SG 3.1Å; C844-K868 PolarHBondContact SG-N 3.42Å; C844-K868 VanDerWaalsContact SG-N 3.38Å; C844-L869 PolarHBondContact SG-N 3.06Å
845	P	87.4	Confident	88.4	Confident	34 Å²	34	38.1 Å²	38.1	22%	0.221	19%	0.193	C	C	.	.			trans	-62.4	138.6	178.4	-23.7	33.6	0	0	0	113.2	T582 N856 F862	T582-P845 VanDerWaalsContact O-CB 3.24Å; T582-P845 WeakPolarHBondContact O-CB 3.35Å; P845-N856 WeakPolarHBondContact CA-OD1 3.24Å; P845-F862 HydrophobicContact CG-CD1 4.02Å; P845-F862 HydrophobicContact CG-CE1 3.23Å; P845-F862 HydrophobicContact CG-CZ 3.61Å
846	Q	83.9	Confident	88.1	Confident	38 Å²	38	35.5 Å²	35.5	18%	0.178	18%	0.182	C	C	.	.			trans	-137.4	169.6	178.1	-66.1	-175.5	-52.2	0	0	110.3	Y623 C844 T850 N852 K855 N856	Y623-Q846 PolarHBondContact OH-NE2 3.32Å; C844-Q846 PolarHBondContact O-N 3.38Å; Q846-T850 HydrophobicContact CB-CG2 4.48Å; Q846-N852 VanDerWaalsContact OE1-CB 3.22Å; Q846-N852 PolarHBondContact OE1-ND2 3.02Å; Q846-K855 HydrophobicContact CB-CB 4.2Å; Q846-K855 HydrophobicContact CB-CD 4.21Å; Q846-K855 HydrophobicContact CG-CB 4.43Å; Q846-N856 PolarHBondContact N-OD1 3.23Å
847	S	81.2	Confident	87.9	Confident	37 Å²	37	35.5 Å²	35.5	26%	0.259	18%	0.182	S	C	.	.			trans	-60.4	151.7	175.8	70.9	0	0	0	0	112.2	Y849 T850 K855	S847-Y849 VanDerWaalsContact CB-CE1 3.44Å; S847-Y849 VanDerWaalsContact CB-CZ 3.47Å; S847-Y849 PolarHBondContact O-N 3.02Å; S847-Y849 WeakPolarHBondContact OG-CD2 3.47Å; S847-Y849 WeakPolarHBondContact OG-CE1 3.19Å; S847-Y849 WeakPolarHBondContact OG-CE2 3.21Å; S847-T850 PolarHBondContact O-N 2.83Å; S847-T850 VanDerWaalsContact O-N 3.13Å; S847-T850 PolarHBondContact OG-OG1 3.49Å; S847-K855 PolarHBondContact O-NZ 2.93Å
848	F	74.6	Confident	87.8	Confident	178 Å²	178	32.6 Å²	32.6	78%	0.781	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-32	-174.9	84.5	-93.3	0	0	0	112.6	K855	F848-K855 VanDerWaalsContact C-NZ 3.34Å; F848-K855 PolarHBondContact O-NZ 2.63Å
849	Y	81.4	Confident	87.8	Confident	169 Å²	169	32.9 Å²	32.9	66%	0.663	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-6.6	-178.9	55	-96.4	0	0	0	114.3	S847 P851	S847-Y849 VanDerWaalsContact CB-CE1 3.44Å; S847-Y849 VanDerWaalsContact CB-CZ 3.47Å; S847-Y849 PolarHBondContact O-N 3.02Å; S847-Y849 WeakPolarHBondContact OG-CD2 3.47Å; S847-Y849 WeakPolarHBondContact OG-CE1 3.19Å; S847-Y849 WeakPolarHBondContact OG-CE2 3.21Å; Y849-P851 WeakPolarHBondContact O-CD 3.04Å
850	T	85.1	Confident	87.6	Confident	23 Å²	23	33 Å²	33	14%	0.141	16%	0.164	C	C	.	.	S	Bend	trans	-74.1	121.2	175.6	-54.8	0	0	0	0	110.4	Y623 Q846 S847 N852 K855	Y623-T850 HydrophobicContact CD2-CG2 4.42Å; Y623-T850 HydrophobicContact CE2-CG2 3.51Å; Q846-T850 HydrophobicContact CB-CG2 4.48Å; S847-T850 PolarHBondContact O-N 2.83Å; S847-T850 VanDerWaalsContact O-N 3.13Å; S847-T850 PolarHBondContact OG-OG1 3.49Å; T850-N852 VanDerWaalsContact C-N 3.26Å; T850-N852 HydrophobicContact CG2-CB 4.41Å; T850-N852 PolarHBondContact O-N 2.71Å; T850-K855 PolarHBondContact O-NZ 3.25Å
851	P	86.9	Confident	87.5	Confident	81 Å²	81	34.3 Å²	34.3	53%	0.526	17%	0.171	S	C	.	.			trans	-80.8	69.4	-176.2	34.2	-36.5	0	0	0	111.4	E620 Y623 Y849	E620-P851 HydrophobicContact CG-CB 4.23Å; Y623-P851 WeakPolarHBondContact CD2-O 3.2Å; Y849-P851 WeakPolarHBondContact O-CD 3.04Å
852	N	90.3	Very high	87.2	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.172	C	C	.	.			trans	-119.5	120	176	176	8.7	0	0	0	109	Y623 N842 Q846 T850 F854 K855	Y623-N852 HydrophobicContact CD1-CB 3.67Å; Y623-N852 HydrophobicContact CD2-CB 3.88Å; Y623-N852 HydrophobicContact CE1-CB 4.08Å; Y623-N852 HydrophobicContact CE2-CB 4.27Å; Y623-N852 HydrophobicContact CG-CB 3.56Å; N842-N852 PolarHBondContact O-ND2 3.46Å; Q846-N852 VanDerWaalsContact OE1-CB 3.22Å; Q846-N852 PolarHBondContact OE1-ND2 3.02Å; T850-N852 VanDerWaalsContact C-N 3.26Å; T850-N852 HydrophobicContact CG2-CB 4.41Å; T850-N852 PolarHBondContact O-N 2.71Å; N852-F854 VanDerWaalsContact C-N 3.27Å; N852-F854 PolarHBondContact O-N 3.27Å; N852-F854 PolarHBondContact OD1-N 2.91Å; N852-K855 HydrophobicContact CB-CB 4.19Å; N852-K855 HydrophobicContact CB-CD 4.36Å; N852-K855 WeakPolarHBondContact O-CD 3.49Å; N852-K855 VanDerWaalsContact O-CG 3.31Å; N852-K855 WeakPolarHBondContact O-CG 3.38Å
853	F	90.4	Very high	86.8	Confident	11 Å²	11	43.5 Å²	43.5	5%	0.048	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-35.3	-179.4	-174.7	-102.3	0	0	0	112.2	V515 V592 L595 E620 V621	V515-F853 HydrophobicContact CG2-CE2 3.48Å; V515-F853 VanDerWaalsContact CG2-CE2 3.48Å; V515-F853 HydrophobicContact CG2-CZ 3.56Å; V592-F853 HydrophobicContact CG2-CD1 3.98Å; V592-F853 HydrophobicContact CG2-CE1 3.78Å; L595-F853 HydrophobicContact CB-CE1 3.97Å; L595-F853 HydrophobicContact CB-CZ 4.45Å; L595-F853 HydrophobicContact CD1-CD1 3.96Å; L595-F853 HydrophobicContact CD1-CE1 3.52Å; L595-F853 HydrophobicContact CD1-CZ 3.86Å; L595-F853 HydrophobicContact CG-CE1 4.27Å; E620-F853 HydrophobicContact CB-CB 3.9Å; E620-F853 PolarHBondContact O-N 2.77Å; E620-F853 VanDerWaalsContact O-N 3.15Å; V621-F853 HydrophobicContact CG2-CB 4.08Å; V621-F853 HydrophobicContact CG2-CD1 4.22Å; V621-F853 HydrophobicContact CG2-CG 4.03Å
854	F	91.9	Very high	86.5	Confident	3 Å²	3	43.5 Å²	43.5	1%	0.013	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-7	-171.1	-55.7	-79.2	0	0	0	114	V592 L595 V621 I841 Q843 N852 T857 F875	V592-F854 HydrophobicContact CB-CD1 4.32Å; V592-F854 HydrophobicContact CG1-CD1 3.66Å; V592-F854 HydrophobicContact CG1-CE1 4.02Å; V592-F854 HydrophobicContact CG2-CD1 3.7Å; V592-F854 HydrophobicContact CG2-CE1 4.39Å; L595-F854 HydrophobicContact CD2-CE1 4.36Å; L595-F854 HydrophobicContact CD2-CZ 4.24Å; V621-F854 HydrophobicContact CB-CE2 4.5Å; V621-F854 HydrophobicContact CG1-CE2 4.04Å; V621-F854 HydrophobicContact CG1-CZ 3.96Å; I841-F854 HydrophobicContact CB-CD2 4.38Å; I841-F854 HydrophobicContact CB-CG 4.43Å; I841-F854 HydrophobicContact CD1-CD1 4.34Å; I841-F854 HydrophobicContact CD1-CE1 3.8Å; I841-F854 HydrophobicContact CD1-CE2 4.35Å; I841-F854 HydrophobicContact CD1-CZ 3.79Å; I841-F854 HydrophobicContact CG1-CD2 4.3Å; I841-F854 HydrophobicContact CG1-CE1 4.24Å; I841-F854 HydrophobicContact CG1-CE2 3.94Å; I841-F854 HydrophobicContact CG1-CZ 3.9Å; I841-F854 HydrophobicContact CG2-CB 3.47Å; I841-F854 VanDerWaalsContact CG2-CB 3.47Å; I841-F854 HydrophobicContact CG2-CD1 3.46Å; I841-F854 VanDerWaalsContact CG2-CD1 3.46Å; I841-F854 HydrophobicContact CG2-CD2 3.51Å; I841-F854 HydrophobicContact CG2-CE1 3.98Å; I841-F854 HydrophobicContact CG2-CE2 4Å; I841-F854 HydrophobicContact CG2-CG 3.19Å; I841-F854 HydrophobicContact CG2-CZ 4.22Å; Q843-F854 VanDerWaalsContact CA-O 3.25Å; Q843-F854 WeakPolarHBondContact CA-O 3.34Å; Q843-F854 HydrophobicContact CG-CB 4.25Å; N852-F854 VanDerWaalsContact C-N 3.27Å; N852-F854 PolarHBondContact O-N 3.27Å; N852-F854 PolarHBondContact OD1-N 2.91Å; F854-T857 WeakPolarHBondContact O-CG2 3.1Å; F854-T857 PolarHBondContact O-OG1 3.07Å; F854-F875 HydrophobicContact CE1-CZ 4.47Å; F854-F875 HydrophobicContact CE2-CE2 4.23Å; F854-F875 AromaticContact CZ-CE2 3.77Å; F854-F875 HydrophobicContact CZ-CE2 3.77Å; F854-F875 AromaticContact CZ-CZ 3.66Å; F854-F875 HydrophobicContact CZ-CZ 3.66Å
855	K	88.3	Confident	86.3	Confident	13 Å²	13	43 Å²	43	6%	0.057	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	149.8	-176.9	74.7	-171.4	178.5	178.8	0	111.7	Q846 S847 F848 T850 N852 T857	Q846-K855 HydrophobicContact CB-CB 4.2Å; Q846-K855 HydrophobicContact CB-CD 4.21Å; Q846-K855 HydrophobicContact CG-CB 4.43Å; S847-K855 PolarHBondContact O-NZ 2.93Å; F848-K855 VanDerWaalsContact C-NZ 3.34Å; F848-K855 PolarHBondContact O-NZ 2.63Å; T850-K855 PolarHBondContact O-NZ 3.25Å; N852-K855 HydrophobicContact CB-CB 4.19Å; N852-K855 HydrophobicContact CB-CD 4.36Å; N852-K855 WeakPolarHBondContact O-CD 3.49Å; N852-K855 VanDerWaalsContact O-CG 3.31Å; N852-K855 WeakPolarHBondContact O-CG 3.38Å; K855-T857 PolarHBondContact O-N 3.13Å
856	N	87.1	Confident	86.3	Confident	13 Å²	13	44.2 Å²	44.2	7%	0.07	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	20.3	178.3	-50.2	-15.9	0	0	0	114.5	F584 D585 Q843 P845 Q846	F584-N856 WeakPolarHBondContact CA-O 3.44Å; D585-N856 PolarHBondContact N-O 2.75Å; D585-N856 VanDerWaalsContact N-O 3.08Å; Q843-N856 PolarHBondContact O-N 3.05Å; P845-N856 WeakPolarHBondContact CA-OD1 3.24Å; Q846-N856 PolarHBondContact N-OD1 3.23Å
857	T	89.5	Confident	86.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.198	C	C	.	.			trans	-102.8	-7	174.1	70.7	0	0	0	0	113.6	R588 V592 Q843 F854 K855	R588-T857 HydrophobicContact CB-CG2 3.88Å; V592-T857 HydrophobicContact CB-CG2 4.36Å; V592-T857 HydrophobicContact CG2-CG2 3.71Å; Q843-T857 WeakPolarHBondContact CB-OG1 3.49Å; Q843-T857 WeakPolarHBondContact CG-OG1 3.21Å; Q843-T857 PolarHBondContact NE2-OG1 3.32Å; Q843-T857 PolarHBondContact O-N 3.39Å; F854-T857 WeakPolarHBondContact O-CG2 3.1Å; F854-T857 PolarHBondContact O-OG1 3.07Å; K855-T857 PolarHBondContact O-N 3.13Å
858	A	90.5	Very high	86.9	Confident	0 Å²	0	45 Å²	45	0%	0	20%	0.201	C	C	.	.			trans	-63.6	135.4	175.4	0	0	0	0	0	111.4	Q843 C860 F862 C867 Y880	Q843-A858 HydrophobicContact CB-CB 4.23Å; Q843-A858 WeakPolarHBondContact O-CB 3.16Å; Q843-A858 PolarHBondContact O-N 2.98Å; Q843-A858 VanDerWaalsContact O-N 3.17Å; A858-C860 VanDerWaalsContact C-N 3.32Å; A858-C860 PolarHBondContact O-N 3.27Å; A858-F862 HydrophobicContact CB-CZ 4.33Å; A858-F862 WeakPolarHBondContact O-CE2 3.3Å; A858-F862 WeakPolarHBondContact O-CZ 3.3Å; A858-C867 VanDerWaalsContact CB-SG 3.58Å; A858-Y880 HydrophobicContact CB-CD1 4.16Å; A858-Y880 HydrophobicContact CB-CD2 3.9Å; A858-Y880 HydrophobicContact CB-CE1 3.99Å; A858-Y880 HydrophobicContact CB-CE2 3.71Å; A858-Y880 HydrophobicContact CB-CG 4.13Å
859	R	88.9	Confident	87.6	Confident	26 Å²	26	39.6 Å²	39.6	10%	0.098	18%	0.179	C	C	.	.			trans	-90.6	19.1	-175.5	-69.9	-63	-63.5	162.2	-0.5	114.5	F584 Y589 Y880 M904 E905 Y908 Y919	F584-R859 HydrophobicContact CE2-CG 4.15Å; F584-R859 VanDerWaalsContact CZ-CD 3.48Å; Y589-R859 HydrophobicContact CE2-CG 4.5Å; R859-Y880 PolarHBondContact N-OH 2.8Å; R859-M904 HydrophobicContact CB-CB 4.13Å; R859-M904 WeakPolarHBondContact O-CE 3.48Å; R859-E905 HydrophobicContact CG-CG 4.48Å; R859-Y908 HydrophobicContact CG-CD1 3.89Å; R859-Y908 HydrophobicContact CG-CE1 4.46Å; R859-Y908 HydrophobicContact CG-CG 4.16Å; R859-Y908 VanDerWaalsContact CZ-CZ 3.45Å; R859-Y908 VanDerWaalsContact NE-CD1 3.33Å; R859-Y908 VanDerWaalsContact NE-CD2 3.27Å; R859-Y919 HydrophobicContact CB-CE2 4.16Å; R859-Y919 PolarHBondContact NE-OH 3.16Å; R859-Y919 PolarHBondContact NH2-OH 3.18Å; R859-Y919 PolarHBondContact O-OH 2.86Å
860	C	88.2	Confident	87.8	Confident	5 Å²	5	32.9 Å²	32.9	3%	0.034	16%	0.155	C	C	.	.			trans	-58.7	147.5	176.6	-62.5	0	0	0	0	112.2	A858 F862 T865 C882	A858-C860 VanDerWaalsContact C-N 3.32Å; A858-C860 PolarHBondContact O-N 3.27Å; C860-F862 HydrophobicContact CB-CD1 4.37Å; C860-F862 HydrophobicContact CB-CE1 3.95Å; C860-F862 HydrophobicContact CB-CE2 4.22Å; C860-F862 HydrophobicContact CB-CZ 3.92Å; C860-F862 WeakPolarHBondContact O-CD2 3.2Å; C860-F862 WeakPolarHBondContact O-CE2 3.45Å; C860-F862 PolarHBondContact O-N 2.72Å; C860-F862 VanDerWaalsContact O-N 3.09Å; C860-T865 WeakPolarHBondContact CB-OG1 3.27Å; C860-C882 WeakPolarHBondContact CA-SG 3.43Å; C860-C882 HydrophobicContact CB-CB 3.8Å; C860-C882 WeakPolarHBondContact CB-SG 3.37Å; C860-C882 WeakPolarHBondContact SG-CB 3.21Å; C860-C882 CovalentContact SG-SG 2.03Å; C860-C882 PolarHBondContact SG-SG 2.81Å
861	D	87.7	Confident	87.6	Confident	46 Å²	46	33.8 Å²	33.8	25%	0.246	16%	0.161	C	C	.	.			trans	-76.4	93.4	165.5	172.8	25.7	0	0	0	109.8	R863 S864 T865 R923	D861-R863 PolarHBondContact O-N 2.81Å; D861-R863 VanDerWaalsContact O-N 3.08Å; D861-R863 PolarHBondContact OD1-N 2.87Å; D861-S864 PolarHBondContact O-N 2.86Å; D861-S864 VanDerWaalsContact O-N 3.1Å; D861-S864 PolarHBondContact O-OG 2.82Å; D861-S864 VanDerWaalsContact OD2-CB 3.32Å; D861-S864 WeakPolarHBondContact OD2-CB 3.38Å; D861-S864 PolarHBondContact OD2-OG 3.22Å; D861-T865 VanDerWaalsContact C-OG1 3.22Å; D861-T865 PolarHBondContact N-OG1 3.3Å; D861-T865 WeakPolarHBondContact O-CA 3.43Å; D861-T865 WeakPolarHBondContact O-CB 2.96Å; D861-T865 PolarHBondContact O-N 2.86Å; D861-T865 PolarHBondContact O-OG1 2.85Å; D861-R923 HydrophobicContact CB-CB 3.95Å; D861-R923 WeakPolarHBondContact OD2-CB 3.16Å
862	F	84.5	Confident	87	Confident	9 Å²	9	31.9 Å²	31.9	4%	0.039	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-4.1	-175.5	-58.1	-83.2	0	0	0	114.7	V583 F584 P845 A858 C860 T865 C867 R885	V583-F862 HydrophobicContact CB-CD2 4.11Å; V583-F862 HydrophobicContact CB-CG 4.49Å; V583-F862 HydrophobicContact CG1-CB 3.91Å; V583-F862 HydrophobicContact CG1-CD2 3.23Å; V583-F862 HydrophobicContact CG1-CE2 4.02Å; V583-F862 HydrophobicContact CG1-CG 3.84Å; V583-F862 WeakPolarHBondContact O-CE2 3.1Å; V583-F862 WeakPolarHBondContact O-CZ 3.26Å; F584-F862 HydrophobicContact CB-CE2 4.17Å; P845-F862 HydrophobicContact CG-CD1 4.02Å; P845-F862 HydrophobicContact CG-CE1 3.23Å; P845-F862 HydrophobicContact CG-CZ 3.61Å; A858-F862 HydrophobicContact CB-CZ 4.33Å; A858-F862 WeakPolarHBondContact O-CE2 3.3Å; A858-F862 WeakPolarHBondContact O-CZ 3.3Å; C860-F862 HydrophobicContact CB-CD1 4.37Å; C860-F862 HydrophobicContact CB-CE1 3.95Å; C860-F862 HydrophobicContact CB-CE2 4.22Å; C860-F862 HydrophobicContact CB-CZ 3.92Å; C860-F862 WeakPolarHBondContact O-CD2 3.2Å; C860-F862 WeakPolarHBondContact O-CE2 3.45Å; C860-F862 PolarHBondContact O-N 2.72Å; C860-F862 VanDerWaalsContact O-N 3.09Å; F862-T865 WeakPolarHBondContact CA-O 3.32Å; F862-C867 HydrophobicContact CE1-CB 4.14Å; F862-R885 PolarHBondContact O-NE 3Å; F862-R885 PolarHBondContact O-NH1 2.9Å; F862-R885 PolarHBondContact O-NH2 3.49Å
863	R	84.1	Confident	86.3	Confident	216 Å²	216	35.5 Å²	35.5	82%	0.815	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-41.6	168.2	-68.3	-176.5	177.1	178.6	0.8	110.9	D861	D861-R863 PolarHBondContact O-N 2.81Å; D861-R863 VanDerWaalsContact O-N 3.08Å; D861-R863 PolarHBondContact OD1-N 2.87Å
864	S	84.5	Confident	86.1	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.007	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-21	-173.1	68.6	0	0	0	0	114.2	D861 R885 F888 C924	D861-S864 PolarHBondContact O-N 2.86Å; D861-S864 VanDerWaalsContact O-N 3.1Å; D861-S864 PolarHBondContact O-OG 2.82Å; D861-S864 VanDerWaalsContact OD2-CB 3.32Å; D861-S864 WeakPolarHBondContact OD2-CB 3.38Å; D861-S864 PolarHBondContact OD2-OG 3.22Å; S864-R885 WeakPolarHBondContact O-CB 3.48Å; S864-R885 PolarHBondContact O-N 2.95Å; S864-F888 VanDerWaalsContact CB-CD1 3.46Å; S864-C924 WeakPolarHBondContact CB-O 3.18Å; S864-C924 PolarHBondContact OG-N 3.14Å; S864-C924 PolarHBondContact OG-O 2.6Å
865	T	86.9	Confident	86	Confident	0 Å²	0	40 Å²	40	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	162.6	-174.1	64.4	0	0	0	0	113.2	C860 D861 F862 C882 E883 R885 F899 C924	C860-T865 WeakPolarHBondContact CB-OG1 3.27Å; D861-T865 VanDerWaalsContact C-OG1 3.22Å; D861-T865 PolarHBondContact N-OG1 3.3Å; D861-T865 WeakPolarHBondContact O-CA 3.43Å; D861-T865 WeakPolarHBondContact O-CB 2.96Å; D861-T865 PolarHBondContact O-N 2.86Å; D861-T865 PolarHBondContact O-OG1 2.85Å; F862-T865 WeakPolarHBondContact CA-O 3.32Å; T865-C882 HydrophobicContact CG2-CB 4.18Å; T865-E883 CarbonylContact C-O 3.58Å; T865-E883 WeakPolarHBondContact CA-O 3.43Å; T865-E883 VanDerWaalsContact CB-O 3.31Å; T865-E883 WeakPolarHBondContact CB-O 3.26Å; T865-R885 PolarHBondContact O-NE 3.21Å; T865-R885 PolarHBondContact O-NH2 3.26Å; T865-F899 HydrophobicContact CG2-CD2 4.26Å; T865-F899 HydrophobicContact CG2-CE2 4.26Å; T865-C924 HydrophobicContact CG2-CB 4.26Å; T865-C924 WeakPolarHBondContact CG2-SG 3.3Å
866	Y	86.9	Confident	86	Confident	58 Å²	58	43.2 Å²	43.2	23%	0.227	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.4	166.7	65.1	-102.6	0	0	0	110.4	Y576 K868 E883 C884 R885	Y576-Y866 WeakPolarHBondContact OH-CB 3.5Å; Y866-K868 HydrophobicContact CD2-CD 4.44Å; Y866-K868 HydrophobicContact CD2-CG 4.07Å; Y866-K868 HydrophobicContact CE2-CD 3.74Å; Y866-K868 HydrophobicContact CE2-CG 3.87Å; Y866-K868 PolarHBondContact OH-NZ 2.88Å; Y866-E883 HydrophobicContact CD2-CB 4.23Å; Y866-E883 HydrophobicContact CE1-CB 4.13Å; Y866-E883 HydrophobicContact CE2-CB 3.55Å; Y866-E883 HydrophobicContact CE2-CG 4.27Å; Y866-E883 WeakPolarHBondContact CE2-OE2 3.5Å; Y866-E883 PolarHBondContact N-O 3.19Å; Y866-E883 PolarHBondContact O-N 3.27Å; Y866-E883 PolarHBondContact OH-OE2 2.83Å; Y866-C884 VanDerWaalsContact CE1-O 3.31Å; Y866-C884 WeakPolarHBondContact CE1-O 3.29Å; Y866-R885 HydrophobicContact CD1-CG 3.98Å
867	C	89.1	Confident	86	Confident	19 Å²	19	44 Å²	44	13%	0.128	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	136.4	-178.5	-175	0	0	0	0	111.1	C844 A858 F862 K881	C844-C867 WeakPolarHBondContact CA-SG 3.43Å; C844-C867 HydrophobicContact CB-CB 3.68Å; C844-C867 WeakPolarHBondContact CB-SG 3.49Å; C844-C867 WeakPolarHBondContact SG-CB 3.27Å; C844-C867 CovalentContact SG-SG 2.05Å; C844-C867 PolarHBondContact SG-SG 3.1Å; A858-C867 VanDerWaalsContact CB-SG 3.58Å; F862-C867 HydrophobicContact CE1-CB 4.14Å; C867-K881 WeakPolarHBondContact CA-O 3.19Å
868	K	88.6	Confident	86	Confident	74 Å²	74	44.3 Å²	44.3	32%	0.322	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.9	166.4	-77.3	-178.9	176.2	156.4	0	110.4	C844 Y866 Y880 K881 E883	C844-K868 PolarHBondContact SG-N 3.42Å; C844-K868 VanDerWaalsContact SG-N 3.38Å; Y866-K868 HydrophobicContact CD2-CD 4.44Å; Y866-K868 HydrophobicContact CD2-CG 4.07Å; Y866-K868 HydrophobicContact CE2-CD 3.74Å; Y866-K868 HydrophobicContact CE2-CG 3.87Å; Y866-K868 PolarHBondContact OH-NZ 2.88Å; K868-Y880 CarbonylContact O-C 3.12Å; K868-Y880 VanDerWaalsContact O-CA 3.31Å; K868-Y880 WeakPolarHBondContact O-CA 3.44Å; K868-Y880 WeakPolarHBondContact O-CB 3.32Å; K868-K881 HydrophobicContact CB-CG 4.01Å; K868-K881 PolarHBondContact N-O 2.65Å; K868-K881 WeakPolarHBondContact O-CG 3.44Å; K868-K881 PolarHBondContact O-N 3.09Å; K868-E883 IonicContact NZ-OE1 2.79Å; K868-E883 IonicContact NZ-OE2 2.98Å; K868-E883 PolarHBondContact NZ-OE2 3.4Å
869	L	88.1	Confident	85.9	Confident	63 Å²	63	44.5 Å²	44.5	33%	0.33	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	138.9	172.2	171.4	64.9	0	0	0	110.7	I841 N842 C844 S879	I841-L869 WeakPolarHBondContact O-CD1 3.29Å; N842-L869 HydrophobicContact CB-CD1 4.33Å; N842-L869 HydrophobicContact CB-CD2 4.17Å; C844-L869 PolarHBondContact SG-N 3.06Å; L869-S879 WeakPolarHBondContact CD1-O 3.28Å
870	I	85.7	Confident	86	Confident	29 Å²	29	43.3 Å²	43.3	15%	0.149	20%	0.202	C	C	.	.			trans	-102.8	111.6	164	-52.7	174.1	0	0	0	107.3	H873 S879 K881	I870-H873 WeakPolarHBondContact CG2-CE1 3.46Å; I870-H873 WeakPolarHBondContact CG2-ND1 3.32Å; I870-S879 PolarHBondContact N-O 2.92Å; I870-K881 HydrophobicContact CD1-CB 4.03Å; I870-K881 HydrophobicContact CD1-CG 4.29Å; I870-K881 HydrophobicContact CG1-CB 4.22Å; I870-K881 HydrophobicContact CG1-CD 4.4Å; I870-K881 HydrophobicContact CG1-CG 3.95Å
871	P	81.8	Confident	86	Confident	42 Å²	42	45.1 Å²	45.1	27%	0.273	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	166.3	179.9	29.4	-35.6	0	0	0	112.6	Q85 F87 H873	Q85-P871 PolarHBondContact NE2-O 3.03Å; F87-P871 HydrophobicContact CD1-CG 3.64Å; F87-P871 HydrophobicContact CE1-CG 3.88Å; P871-H873 VanDerWaalsContact C-N 3.29Å; P871-H873 PolarHBondContact O-N 2.75Å; P871-H873 PolarHBondContact O-ND1 3.43Å
872	R	73.8	Confident	86.2	Confident	41 Å²	41	43 Å²	43	16%	0.155	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	31	178.1	-88.3	-96.6	-172.3	-172	-7.6	115.7	Q85 D683 D840 Y874	Q85-R872 HydrophobicContact CG-CB 3.39Å; Q85-R872 HydrophobicContact CG-CG 4.02Å; D683-R872 IonicContact OD1-NH2 3.3Å; D683-R872 IonicContact OD2-NH2 2.64Å; D683-R872 PolarHBondContact OD2-NH2 2.96Å; D840-R872 WeakPolarHBondContact OD1-CA 3.26Å; D840-R872 PolarHBondContact OD1-N 3.23Å; D840-R872 WeakPolarHBondContact OD2-CA 3.05Å; D840-R872 PolarHBondContact OD2-N 2.97Å; R872-Y874 VanDerWaalsContact C-N 3.27Å
873	H	76.1	Confident	86.3	Confident	76 Å²	76	42.8 Å²	42.8	35%	0.352	20%	0.197	S	C	.	.			trans	-93.6	10.8	165.9	-76.8	60.1	0	0	0	112	D840 I870 P871 L876 S879	D840-H873 PolarHBondContact OD1-N 3.02Å; I870-H873 WeakPolarHBondContact CG2-CE1 3.46Å; I870-H873 WeakPolarHBondContact CG2-ND1 3.32Å; P871-H873 VanDerWaalsContact C-N 3.29Å; P871-H873 PolarHBondContact O-N 2.75Å; P871-H873 PolarHBondContact O-ND1 3.43Å; H873-L876 WeakPolarHBondContact O-CD1 3.44Å; H873-S879 WeakPolarHBondContact CB-OG 3.33Å
874	Y	86.6	Confident	86.4	Confident	97 Å²	97	33.7 Å²	33.7	38%	0.38	17%	0.166	S	C	.	.			trans	63.1	-163.5	175.3	-58.1	-70.7	0	0	0	111.4	T837 L839 D840 R872 L876	T837-Y874 WeakPolarHBondContact O-CB 3.44Å; L839-Y874 CarbonylContact O-C 3.44Å; D840-Y874 PolarHBondContact OD1-N 3.43Å; R872-Y874 VanDerWaalsContact C-N 3.27Å; Y874-L876 PolarHBondContact O-N 2.99Å
875	F	89.6	Confident	86.2	Confident	13 Å²	13	36.2 Å²	36.2	6%	0.057	18%	0.176	C	C	.	.	S	Bend	trans	-78.9	58.3	-177.7	-158.6	-99.2	0	0	0	111.8	L595 I596 V599 V621 L836 T837 L839 I841 F854	L595-F875 HydrophobicContact CD2-CE1 4.06Å; L595-F875 HydrophobicContact CD2-CZ 3.8Å; I596-F875 HydrophobicContact CG1-CE1 4.29Å; V599-F875 HydrophobicContact CB-CE1 4.36Å; V599-F875 HydrophobicContact CG1-CD1 4.37Å; V599-F875 HydrophobicContact CG1-CE1 4.24Å; V599-F875 HydrophobicContact CG2-CE1 4.08Å; V621-F875 HydrophobicContact CG1-CE2 3.93Å; V621-F875 HydrophobicContact CG1-CZ 3.83Å; L836-F875 HydrophobicContact CD1-CD2 3.97Å; L836-F875 HydrophobicContact CD1-CE2 3.59Å; L836-F875 HydrophobicContact CD1-CZ 4.15Å; L836-F875 HydrophobicContact CD2-CE1 4.41Å; L836-F875 HydrophobicContact CD2-CE2 4.32Å; L836-F875 HydrophobicContact CD2-CZ 4.08Å; L836-F875 HydrophobicContact CG-CD2 4.06Å; L836-F875 HydrophobicContact CG-CE2 3.9Å; L836-F875 HydrophobicContact CG-CG 4.46Å; L836-F875 HydrophobicContact CG-CZ 4.15Å; T837-F875 PolarHBondContact O-N 3.11Å; T837-F875 VanDerWaalsContact O-N 3.14Å; L839-F875 HydrophobicContact CB-CD2 4.46Å; L839-F875 WeakPolarHBondContact O-CA 3.49Å; L839-F875 PolarHBondContact O-N 3.02Å; I841-F875 HydrophobicContact CD1-CB 4.39Å; I841-F875 HydrophobicContact CD1-CD1 4.03Å; I841-F875 HydrophobicContact CD1-CD2 3.65Å; I841-F875 HydrophobicContact CD1-CE1 4.2Å; I841-F875 HydrophobicContact CD1-CE2 3.83Å; I841-F875 HydrophobicContact CD1-CG 3.76Å; I841-F875 HydrophobicContact CD1-CZ 4.12Å; I841-F875 HydrophobicContact CG1-CD2 3.67Å; I841-F875 HydrophobicContact CG1-CE2 3.91Å; I841-F875 HydrophobicContact CG1-CG 4.22Å; F854-F875 HydrophobicContact CE1-CZ 4.47Å; F854-F875 HydrophobicContact CE2-CE2 4.23Å; F854-F875 AromaticContact CZ-CE2 3.77Å; F854-F875 HydrophobicContact CZ-CE2 3.77Å; F854-F875 AromaticContact CZ-CZ 3.66Å; F854-F875 HydrophobicContact CZ-CZ 3.66Å
876	L	87.5	Confident	85.7	Confident	80 Å²	80	40.2 Å²	40.2	42%	0.419	19%	0.194	S	C	.	.			trans	-122.5	139.4	-179	-63.2	178.1	0	0	0	111.1	R600 H873 Y874 S879	R600-L876 VanDerWaalsContact NH2-CD2 3.33Å; H873-L876 WeakPolarHBondContact O-CD1 3.44Å; Y874-L876 PolarHBondContact O-N 2.99Å; L876-S879 PolarHBondContact O-OG 2.88Å
877	S	88.5	Confident	85.2	Confident	28 Å²	28	39.4 Å²	39.4	20%	0.196	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	157.5	167.6	74.1	0	0	0	0	110.8	Q593 S879 E905	Q593-S877 PolarHBondContact NE2-OG 2.96Å; Q593-S877 VanDerWaalsContact NE2-OG 3.16Å; S877-S879 VanDerWaalsContact C-N 3.34Å; S877-E905 WeakPolarHBondContact CB-OE2 3.43Å; S877-E905 PolarHBondContact OG-OE2 3.14Å
878	G	88.4	Confident	85	Confident	7 Å²	7	41.5 Å²	41.5	7%	0.072	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	2	-173.8	0	0	0	0	0	114.4	Y880 G901 E902 E905	G878-Y880 PolarHBondContact O-N 2.92Å; G878-G901 CarbonylContact O-C 3.58Å; G878-G901 VanDerWaalsContact O-C 3.3Å; G878-G901 VanDerWaalsContact O-CA 3.23Å; G878-G901 WeakPolarHBondContact O-CA 3.29Å; G878-E902 PolarHBondContact O-N 2.77Å; G878-E902 VanDerWaalsContact O-N 3.08Å; G878-E905 PolarHBondContact N-OE1 3.38Å
879	S	88.2	Confident	84.8	Confident	5 Å²	5	38.4 Å²	38.4	4%	0.035	20%	0.197	C	C	.	.			trans	-74.9	41.5	-177	-59.4	0	0	0	0	113.9	L869 I870 H873 L876 S877	L869-S879 WeakPolarHBondContact CD1-O 3.28Å; I870-S879 PolarHBondContact N-O 2.92Å; H873-S879 WeakPolarHBondContact CB-OG 3.33Å; L876-S879 PolarHBondContact O-OG 2.88Å; S877-S879 VanDerWaalsContact C-N 3.34Å
880	Y	91.3	Very high	84.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	167.1	179.6	61.8	-87	0	0	0	110.6	Q843 A858 R859 K868 G878 G901 E905	Q843-Y880 HydrophobicContact CB-CD1 4.03Å; Q843-Y880 HydrophobicContact CB-CE1 4.38Å; A858-Y880 HydrophobicContact CB-CD1 4.16Å; A858-Y880 HydrophobicContact CB-CD2 3.9Å; A858-Y880 HydrophobicContact CB-CE1 3.99Å; A858-Y880 HydrophobicContact CB-CE2 3.71Å; A858-Y880 HydrophobicContact CB-CG 4.13Å; R859-Y880 PolarHBondContact N-OH 2.8Å; K868-Y880 CarbonylContact O-C 3.12Å; K868-Y880 VanDerWaalsContact O-CA 3.31Å; K868-Y880 WeakPolarHBondContact O-CA 3.44Å; K868-Y880 WeakPolarHBondContact O-CB 3.32Å; G878-Y880 PolarHBondContact O-N 2.92Å; Y880-G901 VanDerWaalsContact O-CA 3.29Å; Y880-G901 WeakPolarHBondContact O-CA 3.37Å; Y880-G901 PolarHBondContact O-N 3.37Å; Y880-E905 HydrophobicContact CE1-CG 4.41Å; Y880-E905 WeakPolarHBondContact CE1-OE1 3.48Å
881	K	89.1	Confident	84.6	Confident	44 Å²	44	35.2 Å²	35.2	19%	0.191	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.7	170.3	50.1	175.3	175	167	0	111.1	C867 K868 I870 E883 Y898 F899	C867-K881 WeakPolarHBondContact CA-O 3.19Å; K868-K881 HydrophobicContact CB-CG 4.01Å; K868-K881 PolarHBondContact N-O 2.65Å; K868-K881 WeakPolarHBondContact O-CG 3.44Å; K868-K881 PolarHBondContact O-N 3.09Å; I870-K881 HydrophobicContact CD1-CB 4.03Å; I870-K881 HydrophobicContact CD1-CG 4.29Å; I870-K881 HydrophobicContact CG1-CB 4.22Å; I870-K881 HydrophobicContact CG1-CD 4.4Å; I870-K881 HydrophobicContact CG1-CG 3.95Å; K881-E883 HydrophobicContact CD-CG 4.25Å; K881-E883 WeakPolarHBondContact CD-OE1 3.41Å; K881-E883 WeakPolarHBondContact CE-OE1 3.42Å; K881-E883 IonicContact NZ-OE1 2.76Å; K881-E883 PolarHBondContact NZ-OE1 2.8Å; K881-Y898 HydrophobicContact CB-CD2 3.29Å; K881-Y898 HydrophobicContact CB-CE2 3.69Å; K881-Y898 HydrophobicContact CB-CG 3.98Å; K881-Y898 HydrophobicContact CD-CD1 4.28Å; K881-Y898 HydrophobicContact CD-CD2 3.96Å; K881-Y898 HydrophobicContact CD-CE1 4.41Å; K881-Y898 HydrophobicContact CD-CE2 4.06Å; K881-Y898 HydrophobicContact CD-CG 4.05Å; K881-Y898 HydrophobicContact CG-CD2 4.27Å; K881-F899 WeakPolarHBondContact CA-O 3.33Å
882	C	91	Very high	84.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	103.6	173.6	-48	0	0	0	0	108.8	C860 T865 Y898 F899	C860-C882 WeakPolarHBondContact CA-SG 3.43Å; C860-C882 HydrophobicContact CB-CB 3.8Å; C860-C882 WeakPolarHBondContact CB-SG 3.37Å; C860-C882 WeakPolarHBondContact SG-CB 3.21Å; C860-C882 CovalentContact SG-SG 2.03Å; C860-C882 PolarHBondContact SG-SG 2.81Å; T865-C882 HydrophobicContact CG2-CB 4.18Å; C882-Y898 WeakPolarHBondContact O-CA 3.3Å; C882-Y898 WeakPolarHBondContact O-CB 3.24Å; C882-F899 HydrophobicContact CB-CB 4.14Å; C882-F899 HydrophobicContact CB-CD2 4.28Å; C882-F899 PolarHBondContact N-O 3.23Å; C882-F899 PolarHBondContact O-N 3.04Å
883	E	87.1	Confident	84.9	Confident	6 Å²	6	36.4 Å²	36.4	3%	0.028	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	144.7	176.6	-71.3	177.5	-171.4	0	0	109.9	T865 Y866 K868 K881 W897	T865-E883 CarbonylContact C-O 3.58Å; T865-E883 WeakPolarHBondContact CA-O 3.43Å; T865-E883 VanDerWaalsContact CB-O 3.31Å; T865-E883 WeakPolarHBondContact CB-O 3.26Å; Y866-E883 HydrophobicContact CD2-CB 4.23Å; Y866-E883 HydrophobicContact CE1-CB 4.13Å; Y866-E883 HydrophobicContact CE2-CB 3.55Å; Y866-E883 HydrophobicContact CE2-CG 4.27Å; Y866-E883 WeakPolarHBondContact CE2-OE2 3.5Å; Y866-E883 PolarHBondContact N-O 3.19Å; Y866-E883 PolarHBondContact O-N 3.27Å; Y866-E883 PolarHBondContact OH-OE2 2.83Å; K868-E883 IonicContact NZ-OE1 2.79Å; K868-E883 IonicContact NZ-OE2 2.98Å; K868-E883 PolarHBondContact NZ-OE2 3.4Å; K881-E883 HydrophobicContact CD-CG 4.25Å; K881-E883 WeakPolarHBondContact CD-OE1 3.41Å; K881-E883 WeakPolarHBondContact CE-OE1 3.42Å; K881-E883 IonicContact NZ-OE1 2.76Å; K881-E883 PolarHBondContact NZ-OE1 2.8Å; E883-W897 VanDerWaalsContact CD-CZ3 3.45Å; E883-W897 HydrophobicContact CG-CE3 4.37Å; E883-W897 HydrophobicContact CG-CH2 4.4Å; E883-W897 HydrophobicContact CG-CZ3 3.79Å; E883-W897 VanDerWaalsContact OE1-CH2 3.29Å; E883-W897 WeakPolarHBondContact OE1-CH2 3.25Å; E883-W897 WeakPolarHBondContact OE1-CZ3 3.49Å
884	C	85.4	Confident	85	Confident	25 Å²	25	34.9 Å²	34.9	17%	0.169	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	139.8	179	-57.9	0	0	0	0	112.1	Y866 F888 E889 Y890 C924	Y866-C884 VanDerWaalsContact CE1-O 3.31Å; Y866-C884 WeakPolarHBondContact CE1-O 3.29Å; C884-F888 HydrophobicContact CB-CB 4.26Å; C884-E889 VanDerWaalsContact SG-C 3.56Å; C884-Y890 PolarHBondContact SG-N 3.26Å; C884-Y890 VanDerWaalsContact SG-N 3.43Å; C884-C924 WeakPolarHBondContact CA-SG 3.15Å; C884-C924 HydrophobicContact CB-CB 3.76Å; C884-C924 WeakPolarHBondContact CB-SG 3.34Å; C884-C924 WeakPolarHBondContact SG-CB 3.12Å; C884-C924 CovalentContact SG-SG 2.03Å; C884-C924 PolarHBondContact SG-SG 2.65Å
885	R	81.5	Confident	84.4	Confident	54 Å²	54	40.2 Å²	40.2	20%	0.204	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-71.7	164.5	171.4	-70.1	177.4	-179.5	-143.3	0.2	111.1	Y576 V578 F862 S864 T865 Y866 G887 F888	Y576-R885 PolarHBondContact OH-NH2 3.43Å; V578-R885 VanDerWaalsContact CG2-NH2 3.27Å; F862-R885 PolarHBondContact O-NE 3Å; F862-R885 PolarHBondContact O-NH1 2.9Å; F862-R885 PolarHBondContact O-NH2 3.49Å; S864-R885 WeakPolarHBondContact O-CB 3.48Å; S864-R885 PolarHBondContact O-N 2.95Å; T865-R885 PolarHBondContact O-NE 3.21Å; T865-R885 PolarHBondContact O-NH2 3.26Å; Y866-R885 HydrophobicContact CD1-CG 3.98Å; R885-G887 PolarHBondContact O-N 2.87Å; R885-F888 HydrophobicContact CB-CD2 3.91Å; R885-F888 WeakPolarHBondContact O-CB 3.49Å; R885-F888 PolarHBondContact O-N 3.35Å
886	Q	76.3	Confident	83.9	Confident	84 Å²	84	41.5 Å²	41.5	39%	0.393	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	135.7	170.9	-175.4	176.6	7.6	0	0	111.1	Y390 Q392 N393 F888	Y390-Q886 PolarHBondContact O-NE2 2.72Å; Q392-Q886 PolarHBondContact O-NE2 2.74Å; N393-Q886 PolarHBondContact OD1-NE2 3Å; N393-Q886 PolarHBondContact OD1-OE1 3.22Å; Q886-F888 PolarHBondContact O-N 2.97Å
887	G	76.1	Confident	83.5	Confident	41 Å²	41	40.5 Å²	40.5	42%	0.423	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-7.7	-175.4	0	0	0	0	0	114.6	R885 G927	R885-G887 PolarHBondContact O-N 2.87Å; G887-G927 PolarHBondContact O-N 3.42Å
888	F	83.7	Confident	83.4	Confident	62 Å²	62	41.3 Å²	41.3	27%	0.272	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	154.6	172.3	-64.1	-95.2	0	0	0	110.9	S864 C884 R885 Q886 C924 R925 Q926	S864-F888 VanDerWaalsContact CB-CD1 3.46Å; C884-F888 HydrophobicContact CB-CB 4.26Å; R885-F888 HydrophobicContact CB-CD2 3.91Å; R885-F888 WeakPolarHBondContact O-CB 3.49Å; R885-F888 PolarHBondContact O-N 3.35Å; Q886-F888 PolarHBondContact O-N 2.97Å; F888-C924 HydrophobicContact CB-CB 3.76Å; F888-C924 HydrophobicContact CD1-CB 4.48Å; F888-C924 HydrophobicContact CG-CB 4.49Å; F888-R925 CarbonylContact C-O 3.58Å; F888-R925 WeakPolarHBondContact CA-O 3.47Å; F888-R925 WeakPolarHBondContact CB-O 3.39Å; F888-Q926 HydrophobicContact CE1-CB 4.41Å
889	E	84.4	Confident	83.4	Confident	10 Å²	10	41 Å²	41	5%	0.047	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	152.7	178.2	65.9	-172.8	-176.9	0	0	111.4	R387 V418 C884 P891 C924 R925	R387-E889 HydrophobicContact CB-CB 4.24Å; R387-E889 WeakPolarHBondContact CD-OE2 3.44Å; R387-E889 IonicContact NE-OE2 3.41Å; R387-E889 PolarHBondContact NE-OE2 2.85Å; V418-E889 HydrophobicContact CG1-CG 4.37Å; V418-E889 HydrophobicContact CG2-CB 4.27Å; C884-E889 VanDerWaalsContact SG-C 3.56Å; E889-P891 WeakPolarHBondContact O-CD 3.33Å; E889-C924 WeakPolarHBondContact O-CB 3.36Å; E889-R925 HydrophobicContact CG-CG 3.63Å; E889-R925 PolarHBondContact N-O 3.06Å; E889-R925 PolarHBondContact O-N 2.96Å; E889-R925 IonicContact OE1-CZ 3.14Å; E889-R925 IonicContact OE1-NE 2.71Å; E889-R925 PolarHBondContact OE1-NE 3.42Å; E889-R925 IonicContact OE1-NH2 2.68Å; E889-R925 PolarHBondContact OE1-NH2 3.35Å
890	Y	87.1	Confident	83.5	Confident	23 Å²	23	44.1 Å²	44.1	9%	0.09	21%	0.209	C	C	.	.			trans	-73.2	120.1	178.4	-172	-101.1	0	0	0	109.4	C884 L892 D894 T896 F899	C884-Y890 PolarHBondContact SG-N 3.26Å; C884-Y890 VanDerWaalsContact SG-N 3.43Å; Y890-L892 HydrophobicContact CD1-CB 4.44Å; Y890-L892 WeakPolarHBondContact CD1-O 3.36Å; Y890-L892 HydrophobicContact CE1-CB 3.65Å; Y890-L892 HydrophobicContact CE1-CG 4.48Å; Y890-L892 WeakPolarHBondContact CE1-O 3.47Å; Y890-D894 WeakPolarHBondContact CE1-OD1 3.39Å; Y890-D894 WeakPolarHBondContact CE1-OD2 3.49Å; Y890-D894 PolarHBondContact OH-OD1 3.33Å; Y890-D894 PolarHBondContact OH-OD2 2.96Å; Y890-T896 PolarHBondContact OH-OG1 3.1Å; Y890-T896 VanDerWaalsContact OH-OG1 3.14Å; Y890-F899 HydrophobicContact CD2-CE1 4.22Å; Y890-F899 HydrophobicContact CD2-CE2 4.21Å; Y890-F899 AromaticContact CD2-CZ 3.95Å; Y890-F899 HydrophobicContact CD2-CZ 3.95Å; Y890-F899 AromaticContact CE2-CD1 3.74Å; Y890-F899 HydrophobicContact CE2-CD1 3.74Å; Y890-F899 HydrophobicContact CE2-CD2 4.36Å; Y890-F899 AromaticContact CE2-CE1 3.44Å; Y890-F899 HydrophobicContact CE2-CE1 3.44Å; Y890-F899 VanDerWaalsContact CE2-CE1 3.44Å; Y890-F899 HydrophobicContact CE2-CE2 4.1Å; Y890-F899 HydrophobicContact CE2-CG 4.2Å; Y890-F899 AromaticContact CE2-CZ 3.64Å; Y890-F899 HydrophobicContact CE2-CZ 3.64Å
891	P	83.1	Confident	83.4	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.013	21%	0.21	C	C	.	.			trans	-83	-29.9	-169.5	31	-34.2	0	0	0	113.6	R421 E422 E889 F899 R923 R925	R421-P891 CarbonylContact C-O 3.48Å; R421-P891 WeakPolarHBondContact CA-O 3.12Å; E422-P891 PolarHBondContact N-O 3.42Å; E889-P891 WeakPolarHBondContact O-CD 3.33Å; P891-F899 HydrophobicContact CG-CZ 4.4Å; P891-R923 WeakPolarHBondContact CG-O 3.44Å; P891-R925 HydrophobicContact CB-CG 4.22Å
892	L	82.7	Confident	83.3	Confident	13 Å²	13	46.8 Å²	46.8	7%	0.068	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-78.6	144.9	-169	-55.9	177.7	0	0	0	112	E422 I424 Y890 D894 F899 L922	E422-L892 HydrophobicContact CB-CD2 4.19Å; E422-L892 CarbonylContact O-C 3.46Å; E422-L892 WeakPolarHBondContact O-CA 3.46Å; I424-L892 HydrophobicContact CD1-CD1 4.06Å; I424-L892 HydrophobicContact CG1-CB 4.38Å; I424-L892 HydrophobicContact CG1-CD1 4Å; I424-L892 HydrophobicContact CG1-CD2 3.96Å; I424-L892 HydrophobicContact CG1-CG 4.33Å; Y890-L892 HydrophobicContact CD1-CB 4.44Å; Y890-L892 WeakPolarHBondContact CD1-O 3.36Å; Y890-L892 HydrophobicContact CE1-CB 3.65Å; Y890-L892 HydrophobicContact CE1-CG 4.48Å; Y890-L892 WeakPolarHBondContact CE1-O 3.47Å; L892-D894 VanDerWaalsContact C-N 3.32Å; L892-D894 PolarHBondContact O-N 2.98Å; L892-F899 HydrophobicContact CD1-CE1 3.92Å; L892-F899 HydrophobicContact CG-CE1 4.47Å; L892-L922 HydrophobicContact CD1-CD2 4.42Å
893	N	79.7	Confident	83.1	Confident	95 Å²	95	49.1 Å²	49.1	51%	0.508	24%	0.235	S	C	.	.			trans	-87.7	65.5	175.1	-167.1	31.8	0	0	0	111.8	R421 E422	R421-N893 HydrophobicContact CB-CB 3.81Å; E422-N893 PolarHBondContact O-N 2.96Å
894	D	77.2	Confident	83.2	Confident	43 Å²	43	48.9 Å²	48.9	23%	0.23	23%	0.233	C	C	.	.	S	Bend	trans	-120.3	177.1	173.5	63.1	39.2	0	0	0	111.5	Y890 L892 T896	Y890-D894 WeakPolarHBondContact CE1-OD1 3.39Å; Y890-D894 WeakPolarHBondContact CE1-OD2 3.49Å; Y890-D894 PolarHBondContact OH-OD1 3.33Å; Y890-D894 PolarHBondContact OH-OD2 2.96Å; L892-D894 VanDerWaalsContact C-N 3.32Å; L892-D894 PolarHBondContact O-N 2.98Å; D894-T896 PolarHBondContact O-N 2.94Å; D894-T896 VanDerWaalsContact OD1-CA 3.25Å; D894-T896 WeakPolarHBondContact OD1-CA 3.26Å; D894-T896 WeakPolarHBondContact OD1-CB 3.41Å; D894-T896 PolarHBondContact OD1-N 3.5Å; D894-T896 PolarHBondContact OD1-OG1 3.25Å; D894-T896 PolarHBondContact OD2-OG1 3.08Å
895	R	74.1	Confident	83.4	Confident	210 Å²	210	48 Å²	48	79%	0.792	23%	0.227	S	C	*	.	S	Bend	trans	-79.6	6.2	176.5	-66.3	-175.5	-179.5	174.7	2.7	113.1	P384	P384-R895 VanDerWaalsContact CG-O 3.26Å; P384-R895 WeakPolarHBondContact CG-O 3.05Å
896	T	78.7	Confident	83.6	Confident	40 Å²	40	47.7 Å²	47.7	25%	0.245	23%	0.226	C	C	.	.			trans	-104.5	173.6	-178.8	78.3	0	0	0	0	110.6	Y890 D894	Y890-T896 PolarHBondContact OH-OG1 3.1Å; Y890-T896 VanDerWaalsContact OH-OG1 3.14Å; D894-T896 PolarHBondContact O-N 2.94Å; D894-T896 VanDerWaalsContact OD1-CA 3.25Å; D894-T896 WeakPolarHBondContact OD1-CA 3.26Å; D894-T896 WeakPolarHBondContact OD1-CB 3.41Å; D894-T896 PolarHBondContact OD1-N 3.5Å; D894-T896 PolarHBondContact OD1-OG1 3.25Å; D894-T896 PolarHBondContact OD2-OG1 3.08Å
897	W	80.2	Confident	84.1	Confident	58 Å²	58	43.9 Å²	43.9	22%	0.22	21%	0.208	C	C	.	.	S	Bend	trans	-142.3	12.5	-178.2	55.4	-81.7	0	0	0	111.7	V381 E883	V381-W897 HydrophobicContact CB-CH2 4.47Å; V381-W897 HydrophobicContact CG1-CH2 4.31Å; V381-W897 HydrophobicContact CG2-CH2 4.36Å; V381-W897 HydrophobicContact CG2-CZ2 4.19Å; E883-W897 VanDerWaalsContact CD-CZ3 3.45Å; E883-W897 HydrophobicContact CG-CE3 4.37Å; E883-W897 HydrophobicContact CG-CH2 4.4Å; E883-W897 HydrophobicContact CG-CZ3 3.79Å; E883-W897 VanDerWaalsContact OE1-CH2 3.29Å; E883-W897 WeakPolarHBondContact OE1-CH2 3.25Å; E883-W897 WeakPolarHBondContact OE1-CZ3 3.49Å
898	Y	86.5	Confident	84.7	Confident	45 Å²	45	42.5 Å²	42.5	18%	0.176	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	154.5	-178.3	63	-94.8	0	0	0	108.9	K881 C882 H900	K881-Y898 HydrophobicContact CB-CD2 3.29Å; K881-Y898 HydrophobicContact CB-CE2 3.69Å; K881-Y898 HydrophobicContact CB-CG 3.98Å; K881-Y898 HydrophobicContact CD-CD1 4.28Å; K881-Y898 HydrophobicContact CD-CD2 3.96Å; K881-Y898 HydrophobicContact CD-CE1 4.41Å; K881-Y898 HydrophobicContact CD-CE2 4.06Å; K881-Y898 HydrophobicContact CD-CG 4.05Å; K881-Y898 HydrophobicContact CG-CD2 4.27Å; C882-Y898 WeakPolarHBondContact O-CA 3.3Å; C882-Y898 WeakPolarHBondContact O-CB 3.24Å; Y898-H900 AromaticContact CE2-CD2 3.67Å; Y898-H900 AromaticContact CE2-CE1 3.49Å; Y898-H900 VanDerWaalsContact CE2-CE1 3.49Å; Y898-H900 WeakPolarHBondContact CE2-CE1 3.5Å; Y898-H900 AromaticContact CE2-CG 3.91Å; Y898-H900 AromaticContact CE2-ND1 3.79Å; Y898-H900 AromaticContact CE2-NE2 3.39Å; Y898-H900 WeakPolarHBondContact CE2-NE2 3.48Å; Y898-H900 AromaticContact CZ-CE1 3.72Å; Y898-H900 AromaticContact CZ-NE2 3.61Å; Y898-H900 PolarHBondContact OH-CE1 3.17Å; Y898-H900 VanDerWaalsContact OH-CE1 3.25Å; Y898-H900 PolarHBondContact OH-NE2 3.41Å
899	F	89	Confident	84.8	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	128.4	173.9	-52.6	-76.1	0	0	0	110.2	T865 K881 C882 Y890 P891 L892 M904 L922	T865-F899 HydrophobicContact CG2-CD2 4.26Å; T865-F899 HydrophobicContact CG2-CE2 4.26Å; K881-F899 WeakPolarHBondContact CA-O 3.33Å; C882-F899 HydrophobicContact CB-CB 4.14Å; C882-F899 HydrophobicContact CB-CD2 4.28Å; C882-F899 PolarHBondContact N-O 3.23Å; C882-F899 PolarHBondContact O-N 3.04Å; Y890-F899 HydrophobicContact CD2-CE1 4.22Å; Y890-F899 HydrophobicContact CD2-CE2 4.21Å; Y890-F899 AromaticContact CD2-CZ 3.95Å; Y890-F899 HydrophobicContact CD2-CZ 3.95Å; Y890-F899 AromaticContact CE2-CD1 3.74Å; Y890-F899 HydrophobicContact CE2-CD1 3.74Å; Y890-F899 HydrophobicContact CE2-CD2 4.36Å; Y890-F899 AromaticContact CE2-CE1 3.44Å; Y890-F899 HydrophobicContact CE2-CE1 3.44Å; Y890-F899 VanDerWaalsContact CE2-CE1 3.44Å; Y890-F899 HydrophobicContact CE2-CE2 4.1Å; Y890-F899 HydrophobicContact CE2-CG 4.2Å; Y890-F899 AromaticContact CE2-CZ 3.64Å; Y890-F899 HydrophobicContact CE2-CZ 3.64Å; P891-F899 HydrophobicContact CG-CZ 4.4Å; L892-F899 HydrophobicContact CD1-CE1 3.92Å; L892-F899 HydrophobicContact CG-CE1 4.47Å; F899-M904 HydrophobicContact CB-CG 4.16Å; F899-M904 HydrophobicContact CB-SD 3.63Å; F899-M904 HydrophobicContact CG-SD 4.18Å; F899-L922 HydrophobicContact CD1-CB 4.18Å; F899-L922 HydrophobicContact CD1-CD2 3.82Å; F899-L922 HydrophobicContact CE1-CB 4.32Å; F899-L922 HydrophobicContact CE1-CD2 4Å
900	H	88.5	Confident	84.9	Confident	69 Å²	69	41.6 Å²	41.6	32%	0.319	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	134.3	174.6	-75	-99.1	0	0	0	110.7	Y898 E902 M903 M904	Y898-H900 AromaticContact CE2-CD2 3.67Å; Y898-H900 AromaticContact CE2-CE1 3.49Å; Y898-H900 VanDerWaalsContact CE2-CE1 3.49Å; Y898-H900 WeakPolarHBondContact CE2-CE1 3.5Å; Y898-H900 AromaticContact CE2-CG 3.91Å; Y898-H900 AromaticContact CE2-ND1 3.79Å; Y898-H900 AromaticContact CE2-NE2 3.39Å; Y898-H900 WeakPolarHBondContact CE2-NE2 3.48Å; Y898-H900 AromaticContact CZ-CE1 3.72Å; Y898-H900 AromaticContact CZ-NE2 3.61Å; Y898-H900 PolarHBondContact OH-CE1 3.17Å; Y898-H900 VanDerWaalsContact OH-CE1 3.25Å; Y898-H900 PolarHBondContact OH-NE2 3.41Å; H900-E902 VanDerWaalsContact C-N 3.3Å; H900-E902 PolarHBondContact O-N 3.17Å; H900-M903 HydrophobicContact CB-CB 4.4Å; H900-M903 WeakPolarHBondContact O-CB 3.33Å; H900-M903 PolarHBondContact O-N 2.87Å; H900-M903 VanDerWaalsContact O-N 3.11Å; H900-M904 WeakPolarHBondContact O-CG 3.29Å; H900-M904 PolarHBondContact O-N 2.8Å
901	G	89.3	Confident	84.9	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-34.3	-177.7	0	0	0	0	0	113.5	G878 Y880 M903 M904 E905	G878-G901 CarbonylContact O-C 3.58Å; G878-G901 VanDerWaalsContact O-C 3.3Å; G878-G901 VanDerWaalsContact O-CA 3.23Å; G878-G901 WeakPolarHBondContact O-CA 3.29Å; Y880-G901 VanDerWaalsContact O-CA 3.29Å; Y880-G901 WeakPolarHBondContact O-CA 3.37Å; Y880-G901 PolarHBondContact O-N 3.37Å; G901-M903 VanDerWaalsContact C-N 3.34Å; G901-M903 PolarHBondContact O-N 3.07Å; G901-M904 WeakPolarHBondContact O-CB 3.47Å; G901-M904 PolarHBondContact O-N 2.77Å; G901-E905 WeakPolarHBondContact O-CG 3.25Å; G901-E905 PolarHBondContact O-N 3.07Å
902	E	87.7	Confident	85	Confident	100 Å²	100	47.4 Å²	47.4	47%	0.467	22%	0.218	S	C	.	.	H	α-helix	trans	-58	-45.6	172.5	-175.3	179.4	-175.9	0	0	111.6	Y530 G878 H900 E905 R906	Y530-E902 VanDerWaalsContact CZ-OE1 3.3Å; Y530-E902 PolarHBondContact OH-OE1 3.35Å; G878-E902 PolarHBondContact O-N 2.77Å; G878-E902 VanDerWaalsContact O-N 3.08Å; H900-E902 VanDerWaalsContact C-N 3.3Å; H900-E902 PolarHBondContact O-N 3.17Å; E902-E905 PolarHBondContact O-N 3.13Å; E902-R906 WeakPolarHBondContact O-CB 3.17Å; E902-R906 PolarHBondContact O-N 2.96Å
903	M	87	Confident	85.1	Confident	49 Å²	49	49.6 Å²	49.6	24%	0.241	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-43.2	175.2	-176.1	-171.5	-68.5	0	0	111.4	H900 G901 E905 R906 E907 L922	H900-M903 HydrophobicContact CB-CB 4.4Å; H900-M903 WeakPolarHBondContact O-CB 3.33Å; H900-M903 PolarHBondContact O-N 2.87Å; H900-M903 VanDerWaalsContact O-N 3.11Å; G901-M903 VanDerWaalsContact C-N 3.34Å; G901-M903 PolarHBondContact O-N 3.07Å; M903-E905 VanDerWaalsContact C-N 3.35Å; M903-E905 PolarHBondContact O-N 2.59Å; M903-R906 PolarHBondContact O-N 3.33Å; M903-E907 HydrophobicContact CG-CG 4.33Å; M903-E907 WeakPolarHBondContact O-CB 3.32Å; M903-E907 WeakPolarHBondContact O-CG 3.43Å; M903-E907 PolarHBondContact O-N 3.02Å; M903-L922 HydrophobicContact CG-CD1 4.07Å; M903-L922 HydrophobicContact SD-CD1 4.29Å; M903-L922 HydrophobicContact SD-CD2 3.92Å
904	M	89	Confident	85.2	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-60	-43.4	178.1	-63.6	-59.9	-63.2	0	0	112.2	R859 F899 H900 G901 Y908 Y919 L922	R859-M904 HydrophobicContact CB-CB 4.13Å; R859-M904 WeakPolarHBondContact O-CE 3.48Å; F899-M904 HydrophobicContact CB-CG 4.16Å; F899-M904 HydrophobicContact CB-SD 3.63Å; F899-M904 HydrophobicContact CG-SD 4.18Å; H900-M904 WeakPolarHBondContact O-CG 3.29Å; H900-M904 PolarHBondContact O-N 2.8Å; G901-M904 WeakPolarHBondContact O-CB 3.47Å; G901-M904 PolarHBondContact O-N 2.77Å; M904-Y908 VanDerWaalsContact O-CB 3.27Å; M904-Y908 WeakPolarHBondContact O-CB 3.05Å; M904-Y908 PolarHBondContact O-N 3.13Å; M904-Y919 HydrophobicContact CE-CE2 3.94Å; M904-L922 HydrophobicContact CE-CB 3.92Å; M904-L922 HydrophobicContact SD-CB 3.53Å; M904-L922 VanDerWaalsContact SD-CB 3.53Å; M904-L922 HydrophobicContact SD-CD1 3.61Å; M904-L922 HydrophobicContact SD-CG 4.18Å
905	E	89.5	Confident	85.6	Confident	6 Å²	6	51.6 Å²	51.6	3%	0.028	26%	0.26	C	S	.	.	H	α-helix	trans	-70.8	-42.2	179	-71.2	-168.9	-170.9	0	0	112	Y589 Q593 Q843 R859 S877 G878 Y880 G901 E902 M903 Y908 Q909	Y589-E905 HydrophobicContact CE2-CG 4.12Å; Q593-E905 PolarHBondContact NE2-OE2 3.05Å; Q843-E905 PolarHBondContact NE2-OE1 3.33Å; Q843-E905 PolarHBondContact OE1-OE1 2.83Å; R859-E905 HydrophobicContact CG-CG 4.48Å; S877-E905 WeakPolarHBondContact CB-OE2 3.43Å; S877-E905 PolarHBondContact OG-OE2 3.14Å; G878-E905 PolarHBondContact N-OE1 3.38Å; Y880-E905 HydrophobicContact CE1-CG 4.41Å; Y880-E905 WeakPolarHBondContact CE1-OE1 3.48Å; G901-E905 WeakPolarHBondContact O-CG 3.25Å; G901-E905 PolarHBondContact O-N 3.07Å; E902-E905 PolarHBondContact O-N 3.13Å; M903-E905 VanDerWaalsContact C-N 3.35Å; M903-E905 PolarHBondContact O-N 2.59Å; E905-Y908 WeakPolarHBondContact O-CB 3.4Å; E905-Y908 PolarHBondContact O-N 2.81Å; E905-Q909 WeakPolarHBondContact O-CG 3.33Å; E905-Q909 PolarHBondContact O-N 3.37Å
906	R	86.4	Confident	86	Confident	48 Å²	48	46.5 Å²	46.5	18%	0.181	25%	0.254	C	S	.	.	H	α-helix	trans	-59.4	-53.1	177.1	179.8	179.1	-178.6	-121.4	0.6	112	L528 Y535 E902 M903 Y908 Q909 L910	L528-R906 HydrophobicContact CD2-CG 4Å; Y535-R906 VanDerWaalsContact CZ-NH1 3.27Å; Y535-R906 PolarHBondContact OH-NH1 3.26Å; E902-R906 WeakPolarHBondContact O-CB 3.17Å; E902-R906 PolarHBondContact O-N 2.96Å; M903-R906 PolarHBondContact O-N 3.33Å; R906-Y908 PolarHBondContact O-N 3.24Å; R906-Q909 PolarHBondContact O-N 3.24Å; R906-Q909 VanDerWaalsContact O-N 3.11Å; R906-L910 WeakPolarHBondContact O-CG 3.43Å; R906-L910 PolarHBondContact O-N 3.2Å
907	E	87	Confident	86.3	Confident	3 Å²	3	47.4 Å²	47.4	1%	0.014	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-32	-179.3	-66.9	-73.1	-179.9	0	0	111.2	M903 M911 N917 R918 Y919 L922	M903-E907 HydrophobicContact CG-CG 4.33Å; M903-E907 WeakPolarHBondContact O-CB 3.32Å; M903-E907 WeakPolarHBondContact O-CG 3.43Å; M903-E907 PolarHBondContact O-N 3.02Å; E907-M911 WeakPolarHBondContact O-CB 3.49Å; E907-M911 PolarHBondContact O-N 2.65Å; E907-N917 WeakPolarHBondContact OE2-CA 2.99Å; E907-R918 IonicContact OE1-CZ 3.49Å; E907-R918 VanDerWaalsContact OE1-CZ 3.31Å; E907-R918 IonicContact OE1-NE 3.21Å; E907-R918 PolarHBondContact OE1-NE 2.98Å; E907-R918 IonicContact OE1-NH2 3.24Å; E907-R918 PolarHBondContact OE1-NH2 2.91Å; E907-R918 PolarHBondContact OE2-N 3.37Å; E907-Y919 HydrophobicContact CB-CD2 4.28Å; E907-L922 HydrophobicContact CB-CD1 4.05Å; E907-L922 HydrophobicContact CG-CD1 3.9Å
908	Y	87.8	Confident	86.3	Confident	12 Å²	12	46.9 Å²	46.9	5%	0.047	26%	0.255	C	S	.	.	H	α-helix	trans	-68	-41.7	172.3	178.2	-123.5	0	0	0	113.1	F584 Y589 R859 M904 E905 R906 L910 M911 L912 Y919	F584-Y908 HydrophobicContact CZ-CE1 4.24Å; Y589-Y908 HydrophobicContact CD1-CD1 4.48Å; Y589-Y908 AromaticContact CD1-CE1 3.85Å; Y589-Y908 HydrophobicContact CD1-CE1 3.85Å; Y589-Y908 AromaticContact CE1-CD1 3.97Å; Y589-Y908 HydrophobicContact CE1-CD1 3.97Å; Y589-Y908 AromaticContact CE1-CE1 3.73Å; Y589-Y908 HydrophobicContact CE1-CE1 3.73Å; Y589-Y908 HydrophobicContact CG-CE1 4.43Å; R859-Y908 HydrophobicContact CG-CD1 3.89Å; R859-Y908 HydrophobicContact CG-CE1 4.46Å; R859-Y908 HydrophobicContact CG-CG 4.16Å; R859-Y908 VanDerWaalsContact CZ-CZ 3.45Å; R859-Y908 VanDerWaalsContact NE-CD1 3.33Å; R859-Y908 VanDerWaalsContact NE-CD2 3.27Å; M904-Y908 VanDerWaalsContact O-CB 3.27Å; M904-Y908 WeakPolarHBondContact O-CB 3.05Å; M904-Y908 PolarHBondContact O-N 3.13Å; E905-Y908 WeakPolarHBondContact O-CB 3.4Å; E905-Y908 PolarHBondContact O-N 2.81Å; R906-Y908 PolarHBondContact O-N 3.24Å; Y908-L910 VanDerWaalsContact C-N 3.32Å; Y908-L910 PolarHBondContact O-N 2.79Å; Y908-M911 HydrophobicContact CD2-CE 3.68Å; Y908-M911 HydrophobicContact CD2-SD 4.31Å; Y908-M911 HydrophobicContact CE2-CE 3.49Å; Y908-M911 VanDerWaalsContact CE2-CE 3.49Å; Y908-M911 WeakPolarHBondContact O-CB 3.29Å; Y908-M911 PolarHBondContact O-N 3.05Å; Y908-L912 HydrophobicContact CD1-CD1 4.02Å; Y908-L912 HydrophobicContact CD2-CG 4.37Å; Y908-L912 HydrophobicContact CE1-CD1 3.57Å; Y908-L912 HydrophobicContact CE1-CG 4.28Å; Y908-L912 HydrophobicContact CE2-CD1 4.15Å; Y908-L912 HydrophobicContact CE2-CD2 4.11Å; Y908-L912 HydrophobicContact CE2-CG 3.95Å; Y908-L912 WeakPolarHBondContact O-CG 3.49Å; Y908-L912 PolarHBondContact O-N 2.74Å; Y908-Y919 HydrophobicContact CD2-CE1 4.38Å
909	Q	85.9	Confident	86.2	Confident	35 Å²	35	46.5 Å²	46.5	16%	0.164	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-39.4	174.9	-72.7	173	-1	0	0	111.6	F526 Y589 E905 R906 M911 L912 A913	F526-Q909 HydrophobicContact CD1-CG 4.46Å; Y589-Q909 PolarHBondContact OH-NE2 3.1Å; E905-Q909 WeakPolarHBondContact O-CG 3.33Å; E905-Q909 PolarHBondContact O-N 3.37Å; R906-Q909 PolarHBondContact O-N 3.24Å; R906-Q909 VanDerWaalsContact O-N 3.11Å; Q909-M911 VanDerWaalsContact C-N 3.33Å; Q909-L912 PolarHBondContact O-N 3.17Å; Q909-A913 WeakPolarHBondContact O-CB 3.25Å; Q909-A913 PolarHBondContact O-N 3.44Å
910	L	86.9	Confident	85.9	Confident	19 Å²	19	53.6 Å²	53.6	10%	0.099	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-42.2	172.8	-67.8	174.9	0	0	0	111.6	L528 R906 Y908 A913 G914 K915 N917	L528-L910 HydrophobicContact CD1-CD2 4.18Å; L528-L910 HydrophobicContact CD2-CD2 4.19Å; L528-L910 HydrophobicContact CD2-CG 4.44Å; R906-L910 WeakPolarHBondContact O-CG 3.43Å; R906-L910 PolarHBondContact O-N 3.2Å; Y908-L910 VanDerWaalsContact C-N 3.32Å; Y908-L910 PolarHBondContact O-N 2.79Å; L910-A913 PolarHBondContact O-N 2.95Å; L910-G914 PolarHBondContact O-N 3.5Å; L910-K915 HydrophobicContact CB-CB 4.33Å; L910-K915 HydrophobicContact CD2-CB 4.03Å; L910-K915 HydrophobicContact CD2-CD 3.84Å; L910-K915 PolarHBondContact O-N 2.89Å; L910-N917 HydrophobicContact CB-CB 3.74Å
911	M	86.3	Confident	85.8	Confident	70 Å²	70	54 Å²	54	35%	0.345	29%	0.291	S	S	.	.	H	α-helix	trans	-59.4	-45.3	174.2	-169.5	-158.2	82.8	0	0	112.1	E907 Y908 Q909 A913 G914 N917 Y919	E907-M911 WeakPolarHBondContact O-CB 3.49Å; E907-M911 PolarHBondContact O-N 2.65Å; Y908-M911 HydrophobicContact CD2-CE 3.68Å; Y908-M911 HydrophobicContact CD2-SD 4.31Å; Y908-M911 HydrophobicContact CE2-CE 3.49Å; Y908-M911 VanDerWaalsContact CE2-CE 3.49Å; Y908-M911 WeakPolarHBondContact O-CB 3.29Å; Y908-M911 PolarHBondContact O-N 3.05Å; Q909-M911 VanDerWaalsContact C-N 3.33Å; M911-A913 VanDerWaalsContact C-N 3.33Å; M911-A913 PolarHBondContact O-N 2.74Å; M911-G914 PolarHBondContact O-N 3.32Å; M911-N917 WeakPolarHBondContact CA-ND2 3.36Å; M911-N917 HydrophobicContact CB-CB 4.4Å; M911-Y919 HydrophobicContact SD-CD1 3.67Å; M911-Y919 HydrophobicContact SD-CE1 4.35Å; M911-Y919 HydrophobicContact SD-CG 4.36Å
912	L	85.7	Confident	85.6	Confident	77 Å²	77	54.4 Å²	54.4	40%	0.403	29%	0.293	S	S	.	.	H	α-helix	trans	-64.5	-36.8	176.6	-71.7	172.2	0	0	0	112.6	F590 Y908 Q909 G914	F590-L912 HydrophobicContact CE1-CD1 4.02Å; F590-L912 HydrophobicContact CZ-CD1 3.61Å; F590-L912 HydrophobicContact CZ-CD2 4.42Å; Y908-L912 HydrophobicContact CD1-CD1 4.02Å; Y908-L912 HydrophobicContact CD2-CG 4.37Å; Y908-L912 HydrophobicContact CE1-CD1 3.57Å; Y908-L912 HydrophobicContact CE1-CG 4.28Å; Y908-L912 HydrophobicContact CE2-CD1 4.15Å; Y908-L912 HydrophobicContact CE2-CD2 4.11Å; Y908-L912 HydrophobicContact CE2-CG 3.95Å; Y908-L912 WeakPolarHBondContact O-CG 3.49Å; Y908-L912 PolarHBondContact O-N 2.74Å; Q909-L912 PolarHBondContact O-N 3.17Å; L912-G914 PolarHBondContact O-N 2.79Å
913	A	84.3	Confident	85.6	Confident	59 Å²	59	56.8 Å²	56.8	49%	0.488	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-1.1	176.7	0	0	0	0	0	113.7	Q909 L910 M911 K915	Q909-A913 WeakPolarHBondContact O-CB 3.25Å; Q909-A913 PolarHBondContact O-N 3.44Å; L910-A913 PolarHBondContact O-N 2.95Å; M911-A913 VanDerWaalsContact C-N 3.33Å; M911-A913 PolarHBondContact O-N 2.74Å; A913-K915 HydrophobicContact CB-CD 4.24Å; A913-K915 HydrophobicContact CB-CG 4.08Å; A913-K915 PolarHBondContact O-N 3.23Å
914	G	83.3	Confident	85.6	Confident	71 Å²	71	54.8 Å²	54.8	73%	0.732	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	17.3	-174.7	0	0	0	0	0	113.8	L910 M911 L912	L910-G914 PolarHBondContact O-N 3.5Å; M911-G914 PolarHBondContact O-N 3.32Å; L912-G914 PolarHBondContact O-N 2.79Å
915	K	84.6	Confident	85.4	Confident	109 Å²	109	57.4 Å²	57.4	47%	0.474	30%	0.298	S	S	.	.			trans	-82.6	156.5	176.9	-70.9	-177.1	179.7	-178.4	0	110.1	L910 A913 N917	L910-K915 HydrophobicContact CB-CB 4.33Å; L910-K915 HydrophobicContact CD2-CB 4.03Å; L910-K915 HydrophobicContact CD2-CD 3.84Å; L910-K915 PolarHBondContact O-N 2.89Å; A913-K915 HydrophobicContact CB-CD 4.24Å; A913-K915 HydrophobicContact CB-CG 4.08Å; A913-K915 PolarHBondContact O-N 3.23Å; K915-N917 PolarHBondContact O-N 3.33Å; K915-N917 PolarHBondContact O-ND2 3.14Å
916	P	82.7	Confident	85	Confident	103 Å²	103	63.5 Å²	63.5	67%	0.669	33%	0.327	S	S	*	.			trans	-53.9	130.5	170.4	24.5	-34.5	0	0	0	109.4
917	N	84.2	Confident	84.2	Confident	58 Å²	58	61.7 Å²	61.7	31%	0.31	32%	0.323	S	S	.	.			trans	-147.1	160.9	-174.9	67.4	85.1	0	0	0	109.9	E907 L910 M911 K915 Y919	E907-N917 WeakPolarHBondContact OE2-CA 2.99Å; L910-N917 HydrophobicContact CB-CB 3.74Å; M911-N917 WeakPolarHBondContact CA-ND2 3.36Å; M911-N917 HydrophobicContact CB-CB 4.4Å; K915-N917 PolarHBondContact O-N 3.33Å; K915-N917 PolarHBondContact O-ND2 3.14Å; N917-Y919 PolarHBondContact OD1-N 3.41Å
918	R	81.9	Confident	83.1	Confident	47 Å²	47	65.9 Å²	65.9	18%	0.177	35%	0.348	C	S	.	.			trans	-112.7	15.5	179.2	-61	175.9	-64.2	-172.8	0.4	112	E907 E920 L921	E907-R918 IonicContact OE1-CZ 3.49Å; E907-R918 VanDerWaalsContact OE1-CZ 3.31Å; E907-R918 IonicContact OE1-NE 3.21Å; E907-R918 PolarHBondContact OE1-NE 2.98Å; E907-R918 IonicContact OE1-NH2 3.24Å; E907-R918 PolarHBondContact OE1-NH2 2.91Å; E907-R918 PolarHBondContact OE2-N 3.37Å; R918-E920 VanDerWaalsContact C-N 3.29Å; R918-E920 PolarHBondContact O-N 3.37Å; R918-L921 HydrophobicContact CB-CD1 4.3Å; R918-L921 HydrophobicContact CG-CD1 4.48Å; R918-L921 WeakPolarHBondContact O-CB 3.36Å; R918-L921 PolarHBondContact O-N 3.03Å
919	Y	84.2	Confident	81.1	Confident	37 Å²	37	69.6 Å²	69.6	15%	0.145	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-57.5	-39.9	-170.6	-176.1	-106.6	0	0	0	112.7	R859 M904 E907 Y908 M911 N917 L921 L922	R859-Y919 HydrophobicContact CB-CE2 4.16Å; R859-Y919 PolarHBondContact NE-OH 3.16Å; R859-Y919 PolarHBondContact NH2-OH 3.18Å; R859-Y919 PolarHBondContact O-OH 2.86Å; M904-Y919 HydrophobicContact CE-CE2 3.94Å; E907-Y919 HydrophobicContact CB-CD2 4.28Å; Y908-Y919 HydrophobicContact CD2-CE1 4.38Å; M911-Y919 HydrophobicContact SD-CD1 3.67Å; M911-Y919 HydrophobicContact SD-CE1 4.35Å; M911-Y919 HydrophobicContact SD-CG 4.36Å; N917-Y919 PolarHBondContact OD1-N 3.41Å; Y919-L921 PolarHBondContact O-N 3Å; Y919-L922 PolarHBondContact O-N 3.39Å
920	E	82.8	Confident	79.4	Confident	152 Å²	152	71.5 Å²	71.5	71%	0.71	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-67.5	-21	178.8	-62.7	-169.2	165.8	0	0	114.4	R918 R923	R918-E920 VanDerWaalsContact C-N 3.29Å; R918-E920 PolarHBondContact O-N 3.37Å; E920-R923 PolarHBondContact O-NE 2.86Å
921	L	84.4	Confident	77.4	Confident	78 Å²	78	73.9 Å²	73.9	41%	0.408	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-82.2	-19.5	177.4	-59.7	175	0	0	0	112.1	R918 Y919 R923	R918-L921 HydrophobicContact CB-CD1 4.3Å; R918-L921 HydrophobicContact CG-CD1 4.48Å; R918-L921 WeakPolarHBondContact O-CB 3.36Å; R918-L921 PolarHBondContact O-N 3.03Å; Y919-L921 PolarHBondContact O-N 3Å; L921-R923 PolarHBondContact O-N 2.74Å
922	L	87	Confident	75.3	Confident	8 Å²	8	77.4 Å²	77.4	4%	0.042	45%	0.447	C	S	.	.			trans	-81.5	57.2	-176.9	-58	-178.8	0	0	0	112.5	L892 F899 M903 M904 E907 Y919	L892-L922 HydrophobicContact CD1-CD2 4.42Å; F899-L922 HydrophobicContact CD1-CB 4.18Å; F899-L922 HydrophobicContact CD1-CD2 3.82Å; F899-L922 HydrophobicContact CE1-CB 4.32Å; F899-L922 HydrophobicContact CE1-CD2 4Å; M903-L922 HydrophobicContact CG-CD1 4.07Å; M903-L922 HydrophobicContact SD-CD1 4.29Å; M903-L922 HydrophobicContact SD-CD2 3.92Å; M904-L922 HydrophobicContact CE-CB 3.92Å; M904-L922 HydrophobicContact SD-CB 3.53Å; M904-L922 VanDerWaalsContact SD-CB 3.53Å; M904-L922 HydrophobicContact SD-CD1 3.61Å; M904-L922 HydrophobicContact SD-CG 4.18Å; E907-L922 HydrophobicContact CB-CD1 4.05Å; E907-L922 HydrophobicContact CG-CD1 3.9Å; Y919-L922 PolarHBondContact O-N 3.39Å
923	R	87.3	Confident	73.4	Confident	151 Å²	151	79.6 Å²	79.6	57%	0.57	46%	0.464	S	S	*	.	S	Bend	trans	-136.1	150.3	177.9	60	-177.7	-179.9	-176.6	-3.2	110.7	D861 P891 E920 L921	D861-R923 HydrophobicContact CB-CB 3.95Å; D861-R923 WeakPolarHBondContact OD2-CB 3.16Å; P891-R923 WeakPolarHBondContact CG-O 3.44Å; E920-R923 PolarHBondContact O-NE 2.86Å; L921-R923 PolarHBondContact O-N 2.74Å
924	C	86.9	Confident	71.6	Confident	6 Å²	6	80.1 Å²	80.1	4%	0.041	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-78.1	145.7	172.8	-58.1	0	0	0	0	110.1	S864 T865 C884 F888 E889	S864-C924 WeakPolarHBondContact CB-O 3.18Å; S864-C924 PolarHBondContact OG-N 3.14Å; S864-C924 PolarHBondContact OG-O 2.6Å; T865-C924 HydrophobicContact CG2-CB 4.26Å; T865-C924 WeakPolarHBondContact CG2-SG 3.3Å; C884-C924 WeakPolarHBondContact CA-SG 3.15Å; C884-C924 HydrophobicContact CB-CB 3.76Å; C884-C924 WeakPolarHBondContact CB-SG 3.34Å; C884-C924 WeakPolarHBondContact SG-CB 3.12Å; C884-C924 CovalentContact SG-SG 2.03Å; C884-C924 PolarHBondContact SG-SG 2.65Å; F888-C924 HydrophobicContact CB-CB 3.76Å; F888-C924 HydrophobicContact CD1-CB 4.48Å; F888-C924 HydrophobicContact CG-CB 4.49Å; E889-C924 WeakPolarHBondContact O-CB 3.36Å
925	R	84.3	Confident	70.3	Confident	56 Å²	56	79.1 Å²	79.1	21%	0.211	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	157.3	177.5	68.9	178.3	-166.7	-153.7	-0.9	111.1	W420 F888 E889 P891 G927	W420-R925 PolarHBondContact O-NH1 2.84Å; W420-R925 PolarHBondContact O-NH2 2.7Å; F888-R925 CarbonylContact C-O 3.58Å; F888-R925 WeakPolarHBondContact CA-O 3.47Å; F888-R925 WeakPolarHBondContact CB-O 3.39Å; E889-R925 HydrophobicContact CG-CG 3.63Å; E889-R925 PolarHBondContact N-O 3.06Å; E889-R925 PolarHBondContact O-N 2.96Å; E889-R925 IonicContact OE1-CZ 3.14Å; E889-R925 IonicContact OE1-NE 2.71Å; E889-R925 PolarHBondContact OE1-NE 3.42Å; E889-R925 IonicContact OE1-NH2 2.68Å; E889-R925 PolarHBondContact OE1-NH2 3.35Å; P891-R925 HydrophobicContact CB-CG 4.22Å; R925-G927 PolarHBondContact O-N 3.14Å
926	Q	81.5	Confident	69.3	Low	134 Å²	134	77.9 Å²	77.9	63%	0.626	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	124.1	178.8	-161.8	-179.7	16.6	0	0	110.4	F888 V928	F888-Q926 HydrophobicContact CE1-CB 4.41Å; Q926-V928 HydrophobicContact CG-CG2 3.86Å; Q926-V928 PolarHBondContact O-N 3.17Å
927	G	69.4	Low	68.6	Low	10 Å²	10	77.1 Å²	77.1	10%	0.103	45%	0.445	C	S	.	.	S	Bend	trans	-76	28.3	-172.4	0	0	0	0	0	116	R387 G887 R925 A929	R387-G927 PolarHBondContact NH2-O 2.78Å; G887-G927 PolarHBondContact O-N 3.42Å; R925-G927 PolarHBondContact O-N 3.14Å; G927-A929 VanDerWaalsContact C-N 3.33Å; G927-A929 PolarHBondContact O-N 3.46Å
928	V	63.4	Low	67.9	Low	91 Å²	91	78.3 Å²	78.3	55%	0.552	45%	0.454	S	S	*	.			trans	-81.6	-5.2	-172.5	174.1	0	0	0	0	113.4	Q926 S930	Q926-V928 HydrophobicContact CG-CG2 3.86Å; Q926-V928 PolarHBondContact O-N 3.17Å; V928-S930 PolarHBondContact O-N 2.91Å; V928-S930 VanDerWaalsContact O-N 3.07Å
929	A	46.8	Very low	67.5	Low	91 Å²	91	80.5 Å²	80.5	75%	0.752	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	21.2	-165.4	0	0	0	0	0	117.9	G927	G927-A929 VanDerWaalsContact C-N 3.33Å; G927-A929 PolarHBondContact O-N 3.46Å
930	S	49	Very low	67.1	Low	74 Å²	74	83.4 Å²	83.4	52%	0.517	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	-2.4	173.5	59.6	0	0	0	0	117.1	V928	V928-S930 PolarHBondContact O-N 2.91Å; V928-S930 VanDerWaalsContact O-N 3.07Å
931	G	45.6	Very low	66.9	Low	69 Å²	69	80 Å²	80	71%	0.711	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-25.1	175	0	0	0	0	0	114	T933	G931-T933 PolarHBondContact O-N 2.85Å
932	L	42.5	Very low	66.7	Low	144 Å²	144	84.6 Å²	84.6	75%	0.754	49%	0.487	S	S	*	.			trans	-80.1	75	165.4	-78.1	150.5	0	0	0	107.5	S934	L932-S934 PolarHBondContact O-N 2.99Å
933	T	44.5	Very low	66.4	Low	123 Å²	123	88.4 Å²	88.4	76%	0.755	51%	0.506	S	S	*	.			trans	-60.9	86.3	131.7	50.6	0	0	0	0	104.1	G931 S935	G931-T933 PolarHBondContact O-N 2.85Å; T933-S935 PolarHBondContact O-N 3.49Å
934	S	47.9	Very low	65.9	Low	71 Å²	71	85.4 Å²	85.4	50%	0.497	50%	0.501	S	S	.	.			trans	-58.5	88	152.3	55.5	0	0	0	0	103.4	L932 S936	L932-S934 PolarHBondContact O-N 2.99Å; S934-S936 VanDerWaalsContact C-N 3.26Å; S934-S936 PolarHBondContact O-N 3.36Å
935	S	55.6	Low	65.6	Low	50 Å²	50	92.4 Å²	92.4	35%	0.35	53%	0.532	S	S	.	.			trans	-51.7	109.8	163.3	172.8	0	0	0	0	102.6	T933 V937 V938 I939	T933-S935 PolarHBondContact O-N 3.49Å; S935-V937 CarbonylContact O-C 3.58Å; S935-V937 PolarHBondContact O-N 3.39Å; S935-V937 WeakPolarHBondContact OG-CB 3.31Å; S935-V938 PolarHBondContact O-N 3.19Å; S935-I939 PolarHBondContact O-N 2.93Å
936	S	62.8	Low	65.3	Low	82 Å²	82	94 Å²	94	57%	0.573	54%	0.544	S	S	*	.	H	α-helix	trans	-48.9	-27.7	176.3	35.3	0	0	0	0	109.8	S934 L940	S934-S936 VanDerWaalsContact C-N 3.26Å; S934-S936 PolarHBondContact O-N 3.36Å; S936-L940 WeakPolarHBondContact O-CB 3.26Å; S936-L940 WeakPolarHBondContact O-CD1 3.33Å; S936-L940 WeakPolarHBondContact O-CG 3.25Å; S936-L940 PolarHBondContact O-N 3.44Å
937	V	68.8	Low	65.2	Low	88 Å²	88	91.1 Å²	91.1	53%	0.533	54%	0.535	S	S	.	.	H	α-helix	trans	-60.8	-44.3	170.8	-167.6	0	0	0	0	113.6	S935 L940 V941	S935-V937 CarbonylContact O-C 3.58Å; S935-V937 PolarHBondContact O-N 3.39Å; S935-V937 WeakPolarHBondContact OG-CB 3.31Å; V937-L940 PolarHBondContact O-N 3.34Å; V937-V941 HydrophobicContact CG1-CG2 4.18Å; V937-V941 VanDerWaalsContact O-CB 3.32Å; V937-V941 WeakPolarHBondContact O-CB 3.48Å; V937-V941 WeakPolarHBondContact O-CG2 3.42Å; V937-V941 PolarHBondContact O-N 3.42Å
938	V	69.4	Low	65.5	Low	83 Å²	83	95.8 Å²	95.8	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-70.9	-39.6	-178.2	178.2	0	0	0	0	111.3	S935 V941 W942	S935-V938 PolarHBondContact O-N 3.19Å; V938-V941 PolarHBondContact O-N 3.35Å; V938-W942 WeakPolarHBondContact O-CB 3.38Å; V938-W942 PolarHBondContact O-N 3.13Å
939	I	74.1	Confident	66.1	Low	92 Å²	92	93.8 Å²	93.8	47%	0.472	55%	0.547	S	S	.	.	H	α-helix	trans	-65.3	-43.7	173.6	-63.8	178.9	0	0	0	109.7	S935 V941 W942 I943	S935-I939 PolarHBondContact O-N 2.93Å; I939-V941 PolarHBondContact O-N 3.28Å; I939-W942 PolarHBondContact O-N 3.12Å; I939-I943 HydrophobicContact CG2-CD1 3.57Å; I939-I943 HydrophobicContact CG2-CG1 4.22Å; I939-I943 WeakPolarHBondContact O-CB 3.41Å; I939-I943 WeakPolarHBondContact O-CG1 3.38Å; I939-I943 PolarHBondContact O-N 3.04Å
940	L	74.9	Confident	67.2	Low	99 Å²	99	96.8 Å²	96.8	52%	0.518	54%	0.543	S	S	.	.	H	α-helix	trans	-64	-37.4	175.6	-77.2	165.4	0	0	0	112.6	S936 V937 N944	S936-L940 WeakPolarHBondContact O-CB 3.26Å; S936-L940 WeakPolarHBondContact O-CD1 3.33Å; S936-L940 WeakPolarHBondContact O-CG 3.25Å; S936-L940 PolarHBondContact O-N 3.44Å; V937-L940 PolarHBondContact O-N 3.34Å; L940-N944 VanDerWaalsContact O-CB 3.25Å; L940-N944 WeakPolarHBondContact O-CB 3.49Å; L940-N944 PolarHBondContact O-N 3.05Å; L940-N944 PolarHBondContact O-ND2 3.2Å
941	V	79.4	Confident	68.1	Low	79 Å²	79	101.1 Å²	101.1	48%	0.479	56%	0.555	S	S	.	*	H	α-helix	trans	-69.2	-43.3	176.3	168.7	0	0	0	0	110.2	V937 V938 I939 N944 F945	V937-V941 HydrophobicContact CG1-CG2 4.18Å; V937-V941 VanDerWaalsContact O-CB 3.32Å; V937-V941 WeakPolarHBondContact O-CB 3.48Å; V937-V941 WeakPolarHBondContact O-CG2 3.42Å; V937-V941 PolarHBondContact O-N 3.42Å; V938-V941 PolarHBondContact O-N 3.35Å; I939-V941 PolarHBondContact O-N 3.28Å; V941-N944 PolarHBondContact O-N 3.31Å; V941-F945 WeakPolarHBondContact O-CB 3.46Å; V941-F945 PolarHBondContact O-N 3.01Å
942	W	79.2	Confident	68.8	Low	175 Å²	175	102.8 Å²	102.8	66%	0.663	56%	0.556	S	S	*	*	H	α-helix	trans	-65.7	-40.9	175.7	-94.8	87.9	0	0	0	112.8	V938 I939 F945 L946	V938-W942 WeakPolarHBondContact O-CB 3.38Å; V938-W942 PolarHBondContact O-N 3.13Å; I939-W942 PolarHBondContact O-N 3.12Å; W942-F945 PolarHBondContact O-N 3.23Å; W942-L946 WeakPolarHBondContact O-CB 3.12Å; W942-L946 PolarHBondContact O-N 3.23Å
943	I	81.9	Confident	69.3	Low	89 Å²	89	105.5 Å²	105.5	46%	0.456	57%	0.57	S	S	.	*	H	α-helix	trans	-63.9	-45.4	173.7	-68.7	169.9	0	0	0	109.7	I939 F945 L946 V947	I939-I943 HydrophobicContact CG2-CD1 3.57Å; I939-I943 HydrophobicContact CG2-CG1 4.22Å; I939-I943 WeakPolarHBondContact O-CB 3.41Å; I939-I943 WeakPolarHBondContact O-CG1 3.38Å; I939-I943 PolarHBondContact O-N 3.04Å; I943-F945 PolarHBondContact O-N 3.38Å; I943-L946 PolarHBondContact O-N 3.18Å; I943-V947 HydrophobicContact CG2-CG2 4.28Å; I943-V947 WeakPolarHBondContact O-CB 3.43Å; I943-V947 WeakPolarHBondContact O-CG2 3.35Å; I943-V947 PolarHBondContact O-N 3.3Å
944	N	76.9	Confident	70.6	Confident	87 Å²	87	104.6 Å²	104.6	47%	0.465	56%	0.561	S	S	.	*	H	α-helix	trans	-64.4	-38.6	176.1	-86.1	-73.8	0	0	0	112.1	L940 V941 L946 V947 I948	L940-N944 VanDerWaalsContact O-CB 3.25Å; L940-N944 WeakPolarHBondContact O-CB 3.49Å; L940-N944 PolarHBondContact O-N 3.05Å; L940-N944 PolarHBondContact O-ND2 3.2Å; V941-N944 PolarHBondContact O-N 3.31Å; N944-L946 VanDerWaalsContact C-N 3.35Å; N944-V947 PolarHBondContact O-N 2.95Å; N944-I948 WeakPolarHBondContact O-CB 3.46Å; N944-I948 WeakPolarHBondContact O-CD1 3.47Å; N944-I948 WeakPolarHBondContact O-CG1 3.42Å; N944-I948 PolarHBondContact O-N 3.05Å
945	F	78.7	Confident	71.8	Confident	154 Å²	154	106.4 Å²	106.4	68%	0.675	56%	0.564	S	S	*	*	H	α-helix	trans	-66.2	-38.8	177.3	-135.8	-85.5	0	0	0	111.4	V941 W942 I943 S949	V941-F945 WeakPolarHBondContact O-CB 3.46Å; V941-F945 PolarHBondContact O-N 3.01Å; W942-F945 PolarHBondContact O-N 3.23Å; I943-F945 PolarHBondContact O-N 3.38Å; F945-S949 WeakPolarHBondContact O-CB 3.44Å; F945-S949 PolarHBondContact O-N 3.26Å; F945-S949 PolarHBondContact O-OG 2.76Å
946	L	78.6	Confident	72.7	Confident	88 Å²	88	109.5 Å²	109.5	46%	0.461	58%	0.576	S	S	.	*	H	α-helix	trans	-67.5	-40.1	172.5	-81.9	166.1	0	0	0	112.1	W942 I943 N944 S949 F950	W942-L946 WeakPolarHBondContact O-CB 3.12Å; W942-L946 PolarHBondContact O-N 3.23Å; I943-L946 PolarHBondContact O-N 3.18Å; N944-L946 VanDerWaalsContact C-N 3.35Å; L946-S949 WeakPolarHBondContact CA-OG 3.32Å; L946-S949 PolarHBondContact O-N 3.12Å; L946-S949 PolarHBondContact O-OG 2.85Å; L946-F950 WeakPolarHBondContact O-CB 3.38Å; L946-F950 WeakPolarHBondContact O-CD2 3.38Å; L946-F950 PolarHBondContact O-N 3.29Å
947	V	80.2	Confident	73.3	Confident	74 Å²	74	111.1 Å²	111.1	45%	0.448	58%	0.576	S	S	.	*	H	α-helix	trans	-67	-39.7	176.4	171.2	0	0	0	0	110.9	I943 N944 H951	I943-V947 HydrophobicContact CG2-CG2 4.28Å; I943-V947 WeakPolarHBondContact O-CB 3.43Å; I943-V947 WeakPolarHBondContact O-CG2 3.35Å; I943-V947 PolarHBondContact O-N 3.3Å; N944-V947 PolarHBondContact O-N 2.95Å; V947-H951 WeakPolarHBondContact O-CB 3.38Å; V947-H951 PolarHBondContact O-N 2.98Å
948	I	76.2	Confident	73.5	Confident	109 Å²	109	112.6 Å²	112.6	56%	0.559	58%	0.579	S	S	*	*	H	α-helix	trans	-69.5	-39.6	176.8	-66.8	162.6	0	0	0	110.8	N944 H951 S952	N944-I948 WeakPolarHBondContact O-CB 3.46Å; N944-I948 WeakPolarHBondContact O-CD1 3.47Å; N944-I948 WeakPolarHBondContact O-CG1 3.42Å; N944-I948 PolarHBondContact O-N 3.05Å; I948-H951 PolarHBondContact O-N 3.14Å; I948-S952 WeakPolarHBondContact O-CB 3.48Å; I948-S952 PolarHBondContact O-N 3.2Å
949	S	74.5	Confident	73.8	Confident	49 Å²	49	114.5 Å²	114.5	34%	0.343	58%	0.584	S	S	.	*	H	α-helix	trans	-68.8	-36.2	176.5	69.8	0	0	0	0	112.4	F945 L946 H951 S952 L953	F945-S949 WeakPolarHBondContact O-CB 3.44Å; F945-S949 PolarHBondContact O-N 3.26Å; F945-S949 PolarHBondContact O-OG 2.76Å; L946-S949 WeakPolarHBondContact CA-OG 3.32Å; L946-S949 PolarHBondContact O-N 3.12Å; L946-S949 PolarHBondContact O-OG 2.85Å; S949-H951 VanDerWaalsContact C-N 3.33Å; S949-S952 PolarHBondContact O-N 3.19Å; S949-L953 PolarHBondContact O-N 3.18Å
950	F	70.3	Confident	73.8	Confident	154 Å²	154	116.1 Å²	116.1	68%	0.675	59%	0.592	S	S	*	*	H	α-helix	trans	-71.2	-24.3	172.7	-95.3	-78.9	0	0	0	113.8	L946	L946-F950 WeakPolarHBondContact O-CB 3.38Å; L946-F950 WeakPolarHBondContact O-CD2 3.38Å; L946-F950 PolarHBondContact O-N 3.29Å
951	H	67.3	Low	73.7	Confident	164 Å²	164	117.5 Å²	117.5	76%	0.759	60%	0.597	S	S	*	*	H	α-helix	trans	-87.4	-15.1	172.8	-100.2	-40.5	0	0	0	114	V947 I948 S949	V947-H951 WeakPolarHBondContact O-CB 3.38Å; V947-H951 PolarHBondContact O-N 2.98Å; I948-H951 PolarHBondContact O-N 3.14Å; S949-H951 VanDerWaalsContact C-N 3.33Å
952	S	62.1	Low	73.2	Confident	105 Å²	105	120.7 Å²	120.7	73%	0.734	61%	0.607	S	S	*	*	H	α-helix	trans	-89.6	-13.9	175.7	175.6	0	0	0	0	113.4	I948 S949	I948-S952 WeakPolarHBondContact O-CB 3.48Å; I948-S952 PolarHBondContact O-N 3.2Å; S949-S952 PolarHBondContact O-N 3.19Å
953	L	52.9	Low	72.7	Confident	200 Å²	200	115.7 Å²	115.7	100%	1.047	60%	0.602	S	S	*	*			trans	-95.7	0	169.2	-94.1	148.5	0	0	0	109.1	S949	S949-L953 PolarHBondContact O-N 3.18Å

Retrieved 953 of 953 residues in 334 ms (Link to these results)

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