G4VGT3_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VGT3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	50.8	Low	239 Å²	239	119.6 Å²	119.6	100%	1.177	63%	0.625	S	S	*	*				0	104	0	-67.4	177.9	-161.8	0	0	107.3
2	D	49.4	Very low	51.1	Low	123 Å²	123	117.5 Å²	117.5	66%	0.658	61%	0.61	S	S	*	*			trans	-150.9	33.5	-178.6	-132.5	-16.2	0	0	0	111.2	G4	D2-G4 PolarHBondContact O-N 3.15Å
3	I	49.6	Very low	51.4	Low	148 Å²	148	118.4 Å²	118.4	76%	0.759	61%	0.606	S	S	*	*	H	α-helix	trans	-78.5	-21.6	-165.2	-60.9	167.9	0	0	0	111.4	T7	I3-T7 PolarHBondContact O-OG1 3.42Å
4	G	44.6	Very low	51.7	Low	51 Å²	51	115.6 Å²	115.6	53%	0.526	60%	0.597	S	S	.	*	H	α-helix	trans	-79.2	-22.5	-177.4	0	0	0	0	0	116.1	D2 T7	D2-G4 PolarHBondContact O-N 3.15Å; G4-T7 PolarHBondContact O-OG1 2.83Å
5	N	48.6	Very low	51.9	Low	104 Å²	104	120.3 Å²	120.3	56%	0.556	60%	0.604	S	S	*	*	H	α-helix	trans	-86.9	-25.1	-179.7	-82.6	-28.1	0	0	0	113.1	R9	N5-R9 PolarHBondContact O-N 3.07Å
6	S	52	Low	51.8	Low	67 Å²	67	113.3 Å²	113.3	47%	0.469	57%	0.569	S	S	.	*	H	α-helix	trans	-66.3	-41.9	178.1	176.2	0	0	0	0	112.2	N10	S6-N10 WeakPolarHBondContact O-CB 3.21Å; S6-N10 PolarHBondContact O-N 3.46Å; S6-N10 PolarHBondContact O-ND2 3.3Å
7	T	57.8	Low	51.6	Low	80 Å²	80	110 Å²	110	49%	0.491	56%	0.559	S	S	.	*	H	α-helix	trans	-68	-42.4	-177.7	17.4	0	0	0	0	112.9	I3 G4 N10 Q11	I3-T7 PolarHBondContact O-OG1 3.42Å; G4-T7 PolarHBondContact O-OG1 2.83Å; T7-N10 PolarHBondContact O-N 2.74Å; T7-Q11 WeakPolarHBondContact O-CG 3.42Å; T7-Q11 PolarHBondContact O-N 3.43Å
8	K	55	Low	51.5	Low	147 Å²	147	110.8 Å²	110.8	64%	0.639	56%	0.56	S	S	*	*	H	α-helix	trans	-65.5	-41.1	177.2	-73.9	-174.6	178.6	178.9	0	112.6	Q11 Q12	K8-Q11 PolarHBondContact O-N 3.4Å; K8-Q12 PolarHBondContact O-N 3.37Å; K8-Q12 VanDerWaalsContact O-N 3.09Å
9	R	53.1	Low	51.3	Low	141 Å²	141	107.8 Å²	107.8	53%	0.532	55%	0.545	S	S	.	.	H	α-helix	trans	-65.6	-40	175.9	-78.5	-175.6	-178.8	169.3	1.9	112.2	N5 Q12 K13	N5-R9 PolarHBondContact O-N 3.07Å; R9-Q12 PolarHBondContact O-N 3.4Å; R9-K13 PolarHBondContact O-N 3.32Å
10	N	54.5	Low	50.8	Low	88 Å²	88	105.2 Å²	105.2	47%	0.471	53%	0.53	S	S	.	.	H	α-helix	trans	-67.1	-38.9	176.7	-77	-20.8	0	0	0	112	S6 T7 Q12 K13 V14	S6-N10 WeakPolarHBondContact O-CB 3.21Å; S6-N10 PolarHBondContact O-N 3.46Å; S6-N10 PolarHBondContact O-ND2 3.3Å; T7-N10 PolarHBondContact O-N 2.74Å; N10-Q12 PolarHBondContact O-N 2.66Å; N10-K13 PolarHBondContact O-N 3.18Å; N10-V14 WeakPolarHBondContact O-CG2 3.37Å; N10-V14 PolarHBondContact O-N 2.87Å
11	Q	54.9	Low	50.5	Low	128 Å²	128	108.2 Å²	108.2	60%	0.598	54%	0.54	S	S	*	.	H	α-helix	trans	-64.2	-39.1	174.5	-74.1	178	-2.5	0	0	112.9	T7 K8 V14 R15	T7-Q11 WeakPolarHBondContact O-CG 3.42Å; T7-Q11 PolarHBondContact O-N 3.43Å; K8-Q11 PolarHBondContact O-N 3.4Å; Q11-V14 PolarHBondContact O-N 3.05Å; Q11-R15 PolarHBondContact O-N 3.35Å
12	Q	54.4	Low	50.7	Low	94 Å²	94	101.5 Å²	101.5	44%	0.439	52%	0.516	S	S	.	.	H	α-helix	trans	-64.8	-42	173.8	-78	-178.5	-18.8	0	0	112.2	K8 R9 N10 V14 R15 L16	K8-Q12 PolarHBondContact O-N 3.37Å; K8-Q12 VanDerWaalsContact O-N 3.09Å; R9-Q12 PolarHBondContact O-N 3.4Å; N10-Q12 PolarHBondContact O-N 2.66Å; Q12-V14 VanDerWaalsContact C-N 3.35Å; Q12-V14 PolarHBondContact O-N 3.42Å; Q12-R15 PolarHBondContact O-N 3.31Å; Q12-L16 WeakPolarHBondContact O-CB 3.35Å; Q12-L16 WeakPolarHBondContact O-CD1 3.04Å; Q12-L16 PolarHBondContact O-N 2.88Å
13	K	54.5	Low	50.4	Low	129 Å²	129	98.4 Å²	98.4	56%	0.561	50%	0.502	S	S	*	.	H	α-helix	trans	-61	-40.7	175	-83	-175.7	175.3	-179.6	0	112.6	R9 N10 L16 S17	R9-K13 PolarHBondContact O-N 3.32Å; N10-K13 PolarHBondContact O-N 3.18Å; K13-L16 PolarHBondContact O-N 3.36Å; K13-S17 PolarHBondContact O-N 3.46Å
14	V	56.2	Low	49.6	Very low	79 Å²	79	101.2 Å²	101.2	48%	0.479	51%	0.509	S	S	.	.	H	α-helix	trans	-67.4	-42.1	177.8	174.3	0	0	0	0	111.4	N10 Q11 Q12 L16 S17 Q18	N10-V14 WeakPolarHBondContact O-CG2 3.37Å; N10-V14 PolarHBondContact O-N 2.87Å; Q11-V14 PolarHBondContact O-N 3.05Å; Q12-V14 VanDerWaalsContact C-N 3.35Å; Q12-V14 PolarHBondContact O-N 3.42Å; V14-L16 PolarHBondContact O-N 3.23Å; V14-S17 PolarHBondContact O-N 3.34Å; V14-S17 PolarHBondContact O-OG 2.84Å; V14-Q18 WeakPolarHBondContact O-CG 3.18Å; V14-Q18 PolarHBondContact O-N 3.05Å; V14-Q18 VanDerWaalsContact O-N 3.13Å
15	R	54.5	Low	49	Very low	186 Å²	186	101.9 Å²	101.9	70%	0.702	52%	0.516	S	S	*	.	H	α-helix	trans	-61.6	-44.5	174.6	-79.1	-175.7	172.9	173.1	-1.3	111.7	Q11 Q12 S17 Q18 L19	Q11-R15 PolarHBondContact O-N 3.35Å; Q12-R15 PolarHBondContact O-N 3.31Å; R15-S17 PolarHBondContact O-N 3.31Å; R15-Q18 PolarHBondContact O-N 3.49Å; R15-L19 WeakPolarHBondContact O-CD1 3.41Å; R15-L19 PolarHBondContact O-N 2.96Å
16	L	50.4	Low	48	Very low	9 Å²	9	102.2 Å²	102.2	5%	0.047	52%	0.517	C	S	.	.	H	α-helix	trans	-64.3	-39.4	178.3	-80.8	156.6	0	0	0	112.6	Q12 K13 V14 Q18 L19 F20 L58 F112	Q12-L16 WeakPolarHBondContact O-CB 3.35Å; Q12-L16 WeakPolarHBondContact O-CD1 3.04Å; Q12-L16 PolarHBondContact O-N 2.88Å; K13-L16 PolarHBondContact O-N 3.36Å; V14-L16 PolarHBondContact O-N 3.23Å; L16-Q18 VanDerWaalsContact C-N 3.31Å; L16-Q18 PolarHBondContact O-N 2.92Å; L16-L19 WeakPolarHBondContact O-CB 3.46Å; L16-L19 PolarHBondContact O-N 3.18Å; L16-F20 HydrophobicContact CB-CE2 4.3Å; L16-F20 WeakPolarHBondContact O-CD2 3.46Å; L16-F20 WeakPolarHBondContact O-CG 3.33Å; L16-F20 PolarHBondContact O-N 3.24Å; L16-L58 HydrophobicContact CD1-CD1 4.49Å; L16-L58 HydrophobicContact CD2-CD1 3.62Å; L16-F112 HydrophobicContact CD1-CE2 3.6Å; L16-F112 HydrophobicContact CD1-CZ 3.67Å
17	S	47.5	Very low	46.8	Very low	57 Å²	57	105 Å²	105	40%	0.399	53%	0.531	S	S	.	.	H	α-helix	trans	-66.1	-32.4	176.3	75.6	0	0	0	0	112.9	K13 V14 R15 F20 K21	K13-S17 PolarHBondContact O-N 3.46Å; V14-S17 PolarHBondContact O-N 3.34Å; V14-S17 PolarHBondContact O-OG 2.84Å; R15-S17 PolarHBondContact O-N 3.31Å; S17-F20 PolarHBondContact O-N 3.3Å; S17-K21 PolarHBondContact O-N 3.39Å
18	Q	50.7	Low	45.4	Very low	124 Å²	124	106.9 Å²	106.9	58%	0.579	55%	0.546	S	S	*	.	H	α-helix	trans	-68.7	-40.4	172.3	-71.2	173.3	-17.6	0	0	111.9	V14 R15 L16 F20 K21 S22	V14-Q18 WeakPolarHBondContact O-CG 3.18Å; V14-Q18 PolarHBondContact O-N 3.05Å; V14-Q18 VanDerWaalsContact O-N 3.13Å; R15-Q18 PolarHBondContact O-N 3.49Å; L16-Q18 VanDerWaalsContact C-N 3.31Å; L16-Q18 PolarHBondContact O-N 2.92Å; Q18-F20 PolarHBondContact O-N 3.32Å; Q18-K21 PolarHBondContact O-N 3.42Å; Q18-K21 VanDerWaalsContact O-N 3.17Å; Q18-S22 PolarHBondContact O-N 3.32Å
19	L	47.3	Very low	44.2	Very low	54 Å²	54	109 Å²	109	28%	0.283	56%	0.556	S	S	.	*	H	α-helix	trans	-61.6	-40.7	172.3	-84.1	141.4	0	0	0	112.5	R15 L16 K21 S22 T23 I61 Q65	R15-L19 WeakPolarHBondContact O-CD1 3.41Å; R15-L19 PolarHBondContact O-N 2.96Å; L16-L19 WeakPolarHBondContact O-CB 3.46Å; L16-L19 PolarHBondContact O-N 3.18Å; L19-K21 PolarHBondContact O-N 2.89Å; L19-S22 PolarHBondContact O-N 3.22Å; L19-T23 PolarHBondContact O-N 2.71Å; L19-I61 HydrophobicContact CD2-CG2 4.44Å; L19-Q65 HydrophobicContact CD2-CG 4.44Å
20	F	42.6	Very low	43	Very low	56 Å²	56	111.6 Å²	111.6	25%	0.246	57%	0.571	C	S	.	*	H	α-helix	trans	-65	-24.7	175.7	-74.5	-59.9	0	0	0	113.8	L16 S17 Q18 T23 K57 I61	L16-F20 HydrophobicContact CB-CE2 4.3Å; L16-F20 WeakPolarHBondContact O-CD2 3.46Å; L16-F20 WeakPolarHBondContact O-CG 3.33Å; L16-F20 PolarHBondContact O-N 3.24Å; S17-F20 PolarHBondContact O-N 3.3Å; Q18-F20 PolarHBondContact O-N 3.32Å; F20-T23 PolarHBondContact O-OG1 2.91Å; F20-K57 HydrophobicContact CD1-CD 3.89Å; F20-K57 HydrophobicContact CD1-CG 4.44Å; F20-K57 HydrophobicContact CE1-CB 4.48Å; F20-K57 HydrophobicContact CE1-CD 3.48Å; F20-K57 VanDerWaalsContact CE1-CD 3.48Å; F20-K57 HydrophobicContact CE1-CG 3.78Å; F20-I61 HydrophobicContact CD1-CD1 3.42Å; F20-I61 VanDerWaalsContact CD1-CD1 3.42Å; F20-I61 HydrophobicContact CE1-CD1 3.09Å; F20-I61 HydrophobicContact CG-CD1 4.3Å; F20-I61 HydrophobicContact CZ-CD1 3.72Å
21	K	43.6	Very low	42	Very low	169 Å²	169	110.2 Å²	110.2	74%	0.735	57%	0.569	S	S	*	*	H	α-helix	trans	-81.4	-26.8	174.8	-73.3	-178.3	178.8	-176.4	0	112.6	S17 Q18 L19	S17-K21 PolarHBondContact O-N 3.39Å; Q18-K21 PolarHBondContact O-N 3.42Å; Q18-K21 VanDerWaalsContact O-N 3.17Å; L19-K21 PolarHBondContact O-N 2.89Å
22	S	44	Very low	41.1	Very low	97 Å²	97	110.1 Å²	110.1	68%	0.678	57%	0.572	S	S	*	*	H	α-helix	trans	-78.6	-21.5	-177.9	166.5	0	0	0	0	114.1	Q18 L19 K24	Q18-S22 PolarHBondContact O-N 3.32Å; L19-S22 PolarHBondContact O-N 3.22Å; S22-K24 PolarHBondContact O-N 3.13Å
23	T	42.2	Very low	40	Very low	59 Å²	59	113 Å²	113	36%	0.362	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.4	15.2	-177.6	50.7	0	0	0	0	115.7	L19 F20 G25 L26	L19-T23 PolarHBondContact O-N 2.71Å; F20-T23 PolarHBondContact O-OG1 2.91Å; T23-G25 PolarHBondContact O-N 2.87Å; T23-G25 VanDerWaalsContact O-N 3.17Å; T23-L26 HydrophobicContact CG2-CD1 4.15Å
24	K	34	Very low	39	Very low	206 Å²	206	113.1 Å²	113.1	90%	0.896	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	9.3	179.8	-85.1	-168.6	174.1	-172.8	0	115.2	S22	S22-K24 PolarHBondContact O-N 3.13Å
25	G	30.9	Very low	38	Very low	65 Å²	65	112.4 Å²	112.4	67%	0.67	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.9	11.4	-177.1	0	0	0	0	0	116.6	T23 T27	T23-G25 PolarHBondContact O-N 2.87Å; T23-G25 VanDerWaalsContact O-N 3.17Å; G25-T27 PolarHBondContact O-N 3.2Å
26	L	28.2	Very low	36.8	Very low	111 Å²	111	109.7 Å²	109.7	58%	0.581	58%	0.575	S	S	*	*			trans	-83.3	96.8	-179	-78.8	158.1	0	0	0	110.8	T23 C28 K64	T23-L26 HydrophobicContact CG2-CD1 4.15Å; L26-C28 PolarHBondContact O-N 3.37Å; L26-K64 VanDerWaalsContact CD1-NZ 3.32Å
27	T	27.1	Very low	35.9	Very low	125 Å²	125	114.6 Å²	114.6	77%	0.767	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-58.8	126.1	167.9	36.6	0	0	0	0	110.4	G25 F29	G25-T27 PolarHBondContact O-N 3.2Å; T27-F29 PolarHBondContact O-N 3.02Å
28	C	27.9	Very low	35.3	Very low	120 Å²	120	116.7 Å²	116.7	81%	0.811	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-67.2	118.4	176.6	-166.1	0	0	0	0	109.1	L26 K30	L26-C28 PolarHBondContact O-N 3.37Å; C28-K30 PolarHBondContact O-N 3.36Å
29	F	29.5	Very low	34.6	Very low	193 Å²	193	113.6 Å²	113.6	85%	0.846	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-66.3	119.5	163.7	-79.6	-85.9	0	0	0	107.7	T27 S31	T27-F29 PolarHBondContact O-N 3.02Å; F29-S31 PolarHBondContact O-N 3.19Å
30	K	28.5	Very low	33.9	Very low	194 Å²	194	117.2 Å²	117.2	84%	0.843	61%	0.61	S	S	*	*			trans	-58.4	107.5	169.9	-71.9	-178.7	175.9	-178.7	0	107.4	C28	C28-K30 PolarHBondContact O-N 3.36Å
31	S	33.9	Very low	33.4	Very low	60 Å²	60	124.9 Å²	124.9	42%	0.42	64%	0.637	S	S	.	*			trans	-72.2	127.2	164.6	65	0	0	0	0	107.6	F29	F29-S31 PolarHBondContact O-N 3.19Å
32	D	34.6	Very low	32.9	Very low	125 Å²	125	121 Å²	121	67%	0.668	63%	0.631	S	S	*	*			trans	-49.4	142.6	177.3	-58.2	-32.7	0	0	0	110.9	F34 S35 R36	D32-F34 PolarHBondContact O-N 3.22Å; D32-S35 WeakPolarHBondContact O-CA 3.35Å; D32-S35 WeakPolarHBondContact O-CB 3.24Å; D32-S35 PolarHBondContact O-N 3.14Å; D32-R36 PolarHBondContact O-N 2.81Å
33	E	32.6	Very low	32.6	Very low	155 Å²	155	122.8 Å²	122.8	72%	0.724	63%	0.627	S	S	*	*	H	α-helix	trans	-51.5	-26.2	-174.7	-81.4	179.2	140.3	0	0	113.8	R36 Q37	E33-R36 WeakPolarHBondContact O-CB 3.37Å; E33-R36 PolarHBondContact O-N 2.88Å; E33-Q37 PolarHBondContact O-N 3.06Å
34	F	33.1	Very low	32.3	Very low	132 Å²	132	128.6 Å²	128.6	58%	0.579	64%	0.643	S	S	*	*	H	α-helix	trans	-67	-38.3	175	-158	-98.4	0	0	0	113.1	D32 R36 Q37 I38 M142	D32-F34 PolarHBondContact O-N 3.22Å; F34-R36 VanDerWaalsContact C-N 3.32Å; F34-Q37 PolarHBondContact O-N 2.83Å; F34-I38 HydrophobicContact CD1-CD1 3.94Å; F34-I38 HydrophobicContact CE1-CD1 3.5Å; F34-I38 HydrophobicContact CZ-CD1 4.13Å; F34-I38 PolarHBondContact O-N 3.48Å; F34-M142 HydrophobicContact CD1-CE 4.42Å; F34-M142 HydrophobicContact CE1-CE 4.07Å
35	S	35.3	Very low	32.6	Very low	64 Å²	64	127.7 Å²	127.7	45%	0.448	64%	0.642	S	S	.	*	H	α-helix	trans	-71.2	-28.6	173.3	-62.8	0	0	0	0	111.8	D32 C39	D32-S35 WeakPolarHBondContact O-CA 3.35Å; D32-S35 WeakPolarHBondContact O-CB 3.24Å; D32-S35 PolarHBondContact O-N 3.14Å; S35-C39 VanDerWaalsContact O-CB 3.3Å; S35-C39 WeakPolarHBondContact O-CB 3.41Å; S35-C39 PolarHBondContact O-N 3.31Å
36	R	30	Very low	33.2	Very low	128 Å²	128	128.9 Å²	128.9	48%	0.483	63%	0.633	S	S	.	*	H	α-helix	trans	-67.9	-46	169.5	-82.8	-175	178.8	162.6	-3.5	111.4	D32 E33 F34 I38 C39 E40	D32-R36 PolarHBondContact O-N 2.81Å; E33-R36 WeakPolarHBondContact O-CB 3.37Å; E33-R36 PolarHBondContact O-N 2.88Å; F34-R36 VanDerWaalsContact C-N 3.32Å; R36-I38 PolarHBondContact O-N 2.81Å; R36-C39 PolarHBondContact O-N 3.44Å; R36-E40 WeakPolarHBondContact O-CB 3.1Å; R36-E40 WeakPolarHBondContact O-CG 2.91Å; R36-E40 PolarHBondContact O-N 2.97Å
37	Q	30.6	Very low	34.1	Very low	113 Å²	113	132.9 Å²	132.9	53%	0.528	65%	0.645	S	S	.	*	H	α-helix	trans	-67.3	-30.3	-176.3	-79.2	-175.7	-0.7	0	0	114.8	E33 F34 R41	E33-Q37 PolarHBondContact O-N 3.06Å; F34-Q37 PolarHBondContact O-N 2.83Å; Q37-R41 WeakPolarHBondContact O-CG 3.48Å
38	I	35.8	Very low	35.4	Very low	101 Å²	101	129.4 Å²	129.4	52%	0.518	63%	0.625	S	S	.	*	H	α-helix	trans	-83	-32.1	177.5	-62.8	176.9	0	0	0	111.3	F34 R36	F34-I38 HydrophobicContact CD1-CD1 3.94Å; F34-I38 HydrophobicContact CE1-CD1 3.5Å; F34-I38 HydrophobicContact CZ-CD1 4.13Å; F34-I38 PolarHBondContact O-N 3.48Å; R36-I38 PolarHBondContact O-N 2.81Å
39	C	34.3	Very low	36.8	Very low	58 Å²	58	126.9 Å²	126.9	39%	0.392	60%	0.603	S	S	.	*	H	α-helix	trans	-79.7	-37.3	174.4	-77.8	0	0	0	0	113.1	S35 R36 R41 F43	S35-C39 VanDerWaalsContact O-CB 3.3Å; S35-C39 WeakPolarHBondContact O-CB 3.41Å; S35-C39 PolarHBondContact O-N 3.31Å; R36-C39 PolarHBondContact O-N 3.44Å; C39-R41 VanDerWaalsContact C-N 3.29Å; C39-R41 PolarHBondContact O-N 3.5Å; C39-F43 HydrophobicContact CB-CE2 4.26Å; C39-F43 WeakPolarHBondContact O-CD2 3.44Å; C39-F43 VanDerWaalsContact O-CE2 3.29Å; C39-F43 WeakPolarHBondContact O-CE2 3.18Å
40	E	33.1	Very low	38.3	Very low	130 Å²	130	123.2 Å²	123.2	61%	0.607	60%	0.599	S	S	*	*	H	α-helix	trans	-71.7	-19.6	-176.4	-75.1	172.1	178.5	0	0	113.4	R36 S42	R36-E40 WeakPolarHBondContact O-CB 3.1Å; R36-E40 WeakPolarHBondContact O-CG 2.91Å; R36-E40 PolarHBondContact O-N 2.97Å; E40-S42 VanDerWaalsContact C-N 3.32Å; E40-S42 PolarHBondContact O-N 2.89Å
41	R	31.4	Very low	40.1	Very low	218 Å²	218	114.8 Å²	114.8	82%	0.823	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	2.8	-178.7	-77.2	-176.8	172.6	177.6	-0.2	115.4	Q37 C39	Q37-R41 WeakPolarHBondContact O-CG 3.48Å; C39-R41 VanDerWaalsContact C-N 3.29Å; C39-R41 PolarHBondContact O-N 3.5Å
42	S	34.3	Very low	41.5	Very low	86 Å²	86	115.3 Å²	115.3	60%	0.601	56%	0.56	S	S	*	*	S	Bend	trans	-132.6	4.3	-179.7	-41.8	0	0	0	0	116.4	E40 Y44	E40-S42 VanDerWaalsContact C-N 3.32Å; E40-S42 PolarHBondContact O-N 2.89Å; S42-Y44 PolarHBondContact O-N 3.31Å
43	F	37.8	Very low	43.2	Very low	135 Å²	135	114 Å²	114	59%	0.592	55%	0.55	S	S	*	.			trans	-87.6	80.4	174.6	-74.3	-78.1	0	0	0	110.8	C39 Q45 Y156	C39-F43 HydrophobicContact CB-CE2 4.26Å; C39-F43 WeakPolarHBondContact O-CD2 3.44Å; C39-F43 VanDerWaalsContact O-CE2 3.29Å; C39-F43 WeakPolarHBondContact O-CE2 3.18Å; F43-Q45 PolarHBondContact O-N 2.85Å; F43-Y156 HydrophobicContact CZ-CE1 4.33Å
44	Y	35.2	Very low	45.2	Very low	181 Å²	181	107.3 Å²	107.3	71%	0.71	52%	0.518	S	S	*	.			trans	-69.1	96.3	151.7	-90.9	-86.8	0	0	0	107.7	S42 L46	S42-Y44 PolarHBondContact O-N 3.31Å; Y44-L46 PolarHBondContact O-N 2.86Å
45	Q	41.8	Very low	47.3	Very low	188 Å²	188	104 Å²	104	88%	0.879	51%	0.507	S	S	*	.			trans	-67.1	76	170.8	-163.9	177.2	34.7	0	0	109.2	F43	F43-Q45 PolarHBondContact O-N 2.85Å
46	L	42	Very low	49.4	Very low	90 Å²	90	105 Å²	105	47%	0.471	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-78	125.2	161.6	-70.9	167.6	0	0	0	106.6	Y44 E152	Y44-L46 PolarHBondContact O-N 2.86Å; L46-E152 HydrophobicContact CD1-CG 3.72Å
47	K	47.7	Very low	51.8	Low	194 Å²	194	104.8 Å²	104.8	84%	0.843	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-51	131.2	171.1	-73.2	179.7	179.7	175.6	0	106.8	L49	K47-L49 PolarHBondContact O-N 2.94Å
48	P	55.1	Low	54.3	Low	52 Å²	52	99.4 Å²	99.4	34%	0.338	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-53.7	136.1	176.3	24.9	-34.5	0	0	0	108	E53 Y155	P48-E53 HydrophobicContact CB-CB 4.27Å; P48-E53 HydrophobicContact CB-CG 3.84Å; P48-E53 HydrophobicContact CG-CB 4.25Å; P48-E53 HydrophobicContact CG-CG 3.59Å; P48-Y155 WeakPolarHBondContact CB-OH 3.02Å
49	L	57.5	Low	56.5	Low	68 Å²	68	94.6 Å²	94.6	36%	0.356	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-53.2	132.7	172.9	-77.6	166.5	0	0	0	107.9	K47 G51 R52	K47-L49 PolarHBondContact O-N 2.94Å; L49-G51 PolarHBondContact O-N 3.41Å; L49-R52 HydrophobicContact CB-CB 4.13Å; L49-R52 HydrophobicContact CB-CG 3.92Å; L49-R52 WeakPolarHBondContact O-CA 3.37Å; L49-R52 WeakPolarHBondContact O-CB 3.36Å; L49-R52 PolarHBondContact O-N 3.3Å
50	P	61	Low	58.9	Low	116 Å²	116	95.8 Å²	95.8	75%	0.753	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	127.2	-177.8	-28.6	34.6	0	0	0	111.4	R52 E53	P50-R52 VanDerWaalsContact C-N 3.3Å; P50-R52 PolarHBondContact O-N 3.27Å; P50-E53 WeakPolarHBondContact CA-OE1 2.94Å
51	G	64.2	Low	61.4	Low	17 Å²	17	90.3 Å²	90.3	18%	0.175	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	0.1	-176.9	0	0	0	0	0	115.7	L49 E53 N116	L49-G51 PolarHBondContact O-N 3.41Å; G51-E53 WeakPolarHBondContact CA-OE2 3.49Å; G51-E53 VanDerWaalsContact N-CD 3.29Å; G51-E53 PolarHBondContact N-OE1 2.89Å; G51-E53 PolarHBondContact N-OE2 3.37Å; G51-N116 WeakPolarHBondContact CA-ND2 3.17Å; G51-N116 VanDerWaalsContact O-CB 3.24Å; G51-N116 WeakPolarHBondContact O-CB 3.35Å; G51-N116 VanDerWaalsContact O-CG 3.29Å; G51-N116 PolarHBondContact O-ND2 3.46Å
52	R	64.9	Low	64	Low	70 Å²	70	79.9 Å²	79.9	26%	0.264	39%	0.39	S	S	.	.			trans	-109	20.6	171.8	-50.4	-167.1	171.9	171.4	-10.7	111.5	L49 P50 F54 Y120 Y176 E178	L49-R52 HydrophobicContact CB-CB 4.13Å; L49-R52 HydrophobicContact CB-CG 3.92Å; L49-R52 WeakPolarHBondContact O-CA 3.37Å; L49-R52 WeakPolarHBondContact O-CB 3.36Å; L49-R52 PolarHBondContact O-N 3.3Å; P50-R52 VanDerWaalsContact C-N 3.3Å; P50-R52 PolarHBondContact O-N 3.27Å; R52-F54 PolarHBondContact O-N 2.95Å; R52-Y120 PolarHBondContact O-OH 2.75Å; R52-Y176 HydrophobicContact CB-CE2 3.86Å; R52-Y176 VanDerWaalsContact CD-CZ 3.43Å; R52-Y176 WeakPolarHBondContact CD-OH 3.48Å; R52-Y176 HydrophobicContact CG-CE2 3.94Å; R52-Y176 VanDerWaalsContact CG-OH 3.25Å; R52-Y176 WeakPolarHBondContact CG-OH 2.95Å; R52-Y176 PolarHBondContact NE-OH 2.93Å; R52-E178 IonicContact CZ-OE1 3.25Å; R52-E178 VanDerWaalsContact CZ-OE1 3.25Å; R52-E178 IonicContact NE-OE1 3.19Å; R52-E178 PolarHBondContact NE-OE1 2.81Å; R52-E178 IonicContact NH2-OE1 2.73Å; R52-E178 PolarHBondContact NH2-OE1 3.19Å; R52-E178 IonicContact NH2-OE2 3.23Å; R52-E178 PolarHBondContact NH2-OE2 3.04Å
53	E	69.8	Low	66.5	Low	99 Å²	99	75.8 Å²	75.8	46%	0.463	36%	0.361	S	S	.	.			trans	-73.5	127.1	-175.6	-54.2	86	172.8	0	0	112.5	P48 P50 G51	P48-E53 HydrophobicContact CB-CB 4.27Å; P48-E53 HydrophobicContact CB-CG 3.84Å; P48-E53 HydrophobicContact CG-CB 4.25Å; P48-E53 HydrophobicContact CG-CG 3.59Å; P50-E53 WeakPolarHBondContact CA-OE1 2.94Å; G51-E53 WeakPolarHBondContact CA-OE2 3.49Å; G51-E53 VanDerWaalsContact N-CD 3.29Å; G51-E53 PolarHBondContact N-OE1 2.89Å; G51-E53 PolarHBondContact N-OE2 3.37Å
54	F	74.1	Confident	68.8	Low	14 Å²	14	71.7 Å²	71.7	6%	0.061	34%	0.343	C	S	.	.			trans	-82.8	125.1	166.7	-175.5	-102.3	0	0	0	111.1	R52 F56 C59 L109 Y120 L122 Y155 A174	R52-F54 PolarHBondContact O-N 2.95Å; F54-F56 VanDerWaalsContact C-N 3.34Å; F54-F56 HydrophobicContact CB-CE2 4.5Å; F54-F56 AromaticContact CD1-CD1 3.9Å; F54-F56 HydrophobicContact CD1-CD1 3.9Å; F54-F56 HydrophobicContact CD1-CD2 4.02Å; F54-F56 HydrophobicContact CD1-CE1 4.01Å; F54-F56 HydrophobicContact CD1-CE2 4.13Å; F54-F56 AromaticContact CD1-CG 3.92Å; F54-F56 HydrophobicContact CD1-CG 3.92Å; F54-F56 HydrophobicContact CD1-CZ 4.14Å; F54-F56 HydrophobicContact CE1-CD1 4.07Å; F54-F56 HydrophobicContact CE1-CE1 4.35Å; F54-F56 HydrophobicContact CE1-CG 4.37Å; F54-F56 WeakPolarHBondContact O-CD2 3.4Å; F54-F56 PolarHBondContact O-N 2.68Å; F54-C59 HydrophobicContact CE1-CB 3.88Å; F54-C59 HydrophobicContact CZ-CB 3.78Å; F54-L109 HydrophobicContact CD2-CD1 4.31Å; F54-L109 HydrophobicContact CE2-CD1 3.43Å; F54-L109 VanDerWaalsContact CE2-CD1 3.43Å; F54-L109 HydrophobicContact CE2-CD2 4.44Å; F54-L109 HydrophobicContact CZ-CD1 4.02Å; F54-Y120 HydrophobicContact CB-CE1 4.45Å; F54-Y120 HydrophobicContact CB-CE2 4.44Å; F54-Y120 HydrophobicContact CD2-CD1 4.35Å; F54-Y120 HydrophobicContact CD2-CD2 4.26Å; F54-Y120 HydrophobicContact CD2-CE1 4.32Å; F54-Y120 HydrophobicContact CD2-CE2 4.26Å; F54-Y120 HydrophobicContact CD2-CG 4.3Å; F54-L122 HydrophobicContact CE2-CD2 4.32Å; F54-Y155 HydrophobicContact CB-CD2 3.2Å; F54-Y155 HydrophobicContact CB-CE2 3.54Å; F54-Y155 HydrophobicContact CB-CG 3.86Å; F54-Y155 HydrophobicContact CD1-CD2 4.47Å; F54-Y155 HydrophobicContact CD1-CG 4.43Å; F54-Y155 AromaticContact CG-CD2 3.91Å; F54-Y155 HydrophobicContact CG-CD2 3.91Å; F54-Y155 HydrophobicContact CG-CG 4.31Å; F54-A174 HydrophobicContact CD2-CB 3.56Å; F54-A174 HydrophobicContact CE1-CB 4.46Å; F54-A174 HydrophobicContact CE2-CB 3.27Å; F54-A174 HydrophobicContact CG-CB 4.27Å; F54-A174 HydrophobicContact CZ-CB 3.79Å
55	N	77.8	Confident	71.3	Confident	62 Å²	62	65 Å²	65	33%	0.332	32%	0.318	S	S	.	.			trans	-81.9	78.8	-179.4	-166.5	-24.6	0	0	0	111.5	K57 L58 C59 L109	N55-K57 PolarHBondContact O-N 3.49Å; N55-K57 PolarHBondContact OD1-N 3.2Å; N55-L58 HydrophobicContact CB-CB 3.98Å; N55-L58 PolarHBondContact O-N 3.46Å; N55-L58 WeakPolarHBondContact OD1-CB 3.18Å; N55-L58 PolarHBondContact OD1-N 3.01Å; N55-C59 PolarHBondContact O-N 2.98Å; N55-L109 HydrophobicContact CB-CD2 4.32Å
56	F	79.7	Confident	73.5	Confident	86 Å²	86	56 Å²	56	38%	0.377	28%	0.276	S	S	.	.	H	α-helix	trans	-50.9	-42.1	177	-73.9	-82.9	0	0	0	113.3	F54 L58 C59 K60 Y155	F54-F56 VanDerWaalsContact C-N 3.34Å; F54-F56 HydrophobicContact CB-CE2 4.5Å; F54-F56 AromaticContact CD1-CD1 3.9Å; F54-F56 HydrophobicContact CD1-CD1 3.9Å; F54-F56 HydrophobicContact CD1-CD2 4.02Å; F54-F56 HydrophobicContact CD1-CE1 4.01Å; F54-F56 HydrophobicContact CD1-CE2 4.13Å; F54-F56 AromaticContact CD1-CG 3.92Å; F54-F56 HydrophobicContact CD1-CG 3.92Å; F54-F56 HydrophobicContact CD1-CZ 4.14Å; F54-F56 HydrophobicContact CE1-CD1 4.07Å; F54-F56 HydrophobicContact CE1-CE1 4.35Å; F54-F56 HydrophobicContact CE1-CG 4.37Å; F54-F56 WeakPolarHBondContact O-CD2 3.4Å; F54-F56 PolarHBondContact O-N 2.68Å; F56-L58 PolarHBondContact O-N 2.95Å; F56-C59 PolarHBondContact O-N 3Å; F56-K60 WeakPolarHBondContact O-CB 3.41Å; F56-K60 PolarHBondContact O-N 2.8Å; F56-Y155 HydrophobicContact CE1-CG 4.5Å; F56-Y155 AromaticContact CE2-CD1 3.8Å; F56-Y155 HydrophobicContact CE2-CD1 3.8Å; F56-Y155 HydrophobicContact CE2-CE1 4.26Å; F56-Y155 HydrophobicContact CE2-CG 4.12Å; F56-Y155 AromaticContact CZ-CD1 3.4Å; F56-Y155 HydrophobicContact CZ-CD1 3.4Å; F56-Y155 VanDerWaalsContact CZ-CD1 3.4Å; F56-Y155 HydrophobicContact CZ-CE1 4.27Å; F56-Y155 AromaticContact CZ-CG 3.65Å; F56-Y155 HydrophobicContact CZ-CG 3.65Å
57	K	80.1	Confident	75.7	Confident	122 Å²	122	51.9 Å²	51.9	53%	0.53	26%	0.255	S	S	.	.	H	α-helix	trans	-64.1	-43.6	-176.8	-162	-172	179.4	-171.1	0	111	F20 N55 I61	F20-K57 HydrophobicContact CD1-CD 3.89Å; F20-K57 HydrophobicContact CD1-CG 4.44Å; F20-K57 HydrophobicContact CE1-CB 4.48Å; F20-K57 HydrophobicContact CE1-CD 3.48Å; F20-K57 VanDerWaalsContact CE1-CD 3.48Å; F20-K57 HydrophobicContact CE1-CG 3.78Å; N55-K57 PolarHBondContact O-N 3.49Å; N55-K57 PolarHBondContact OD1-N 3.2Å; K57-I61 VanDerWaalsContact O-CG1 3.3Å; K57-I61 WeakPolarHBondContact O-CG1 3.48Å; K57-I61 PolarHBondContact O-N 2.91Å; K57-I61 VanDerWaalsContact O-N 3.14Å
58	L	82.1	Confident	77.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-46.2	175.8	177.6	60.6	0	0	0	111.3	L16 N55 F56 K60 I61 I62 L109 F112	L16-L58 HydrophobicContact CD1-CD1 4.49Å; L16-L58 HydrophobicContact CD2-CD1 3.62Å; N55-L58 HydrophobicContact CB-CB 3.98Å; N55-L58 PolarHBondContact O-N 3.46Å; N55-L58 WeakPolarHBondContact OD1-CB 3.18Å; N55-L58 PolarHBondContact OD1-N 3.01Å; F56-L58 PolarHBondContact O-N 2.95Å; L58-K60 VanDerWaalsContact C-N 3.32Å; L58-K60 PolarHBondContact O-N 2.87Å; L58-I61 PolarHBondContact O-N 2.83Å; L58-I62 HydrophobicContact CD1-CD1 3.95Å; L58-I62 HydrophobicContact CD1-CG1 4.27Å; L58-I62 HydrophobicContact CG-CD1 3.77Å; L58-I62 WeakPolarHBondContact O-CD1 3.38Å; L58-I62 VanDerWaalsContact O-CG1 3.29Å; L58-I62 WeakPolarHBondContact O-CG1 3.37Å; L58-I62 PolarHBondContact O-N 2.89Å; L58-L109 HydrophobicContact CD2-CD2 4.09Å; L58-L109 HydrophobicContact CG-CD2 4.44Å; L58-F112 HydrophobicContact CD1-CE2 4.06Å; L58-F112 HydrophobicContact CD2-CB 4.27Å; L58-F112 HydrophobicContact CD2-CD2 3.14Å; L58-F112 HydrophobicContact CD2-CE2 3.47Å; L58-F112 VanDerWaalsContact CD2-CE2 3.47Å; L58-F112 HydrophobicContact CD2-CG 3.74Å; L58-F112 HydrophobicContact CD2-CZ 4.3Å; L58-F112 HydrophobicContact CG-CD2 4.46Å; L58-F112 HydrophobicContact CG-CE2 4.44Å
59	C	81.9	Confident	78.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.2	-47	177.2	-169.5	0	0	0	0	111.5	F54 N55 F56 I61 I62 M63 L157	F54-C59 HydrophobicContact CE1-CB 3.88Å; F54-C59 HydrophobicContact CZ-CB 3.78Å; N55-C59 PolarHBondContact O-N 2.98Å; F56-C59 PolarHBondContact O-N 3Å; C59-I61 PolarHBondContact O-N 2.88Å; C59-I62 PolarHBondContact O-N 2.8Å; C59-M63 WeakPolarHBondContact O-CG 3.4Å; C59-M63 PolarHBondContact O-N 3.34Å; C59-L157 HydrophobicContact CB-CD2 4.06Å
60	K	84.7	Confident	80.1	Confident	83 Å²	83	48 Å²	48	36%	0.361	23%	0.233	S	C	.	.	H	α-helix	trans	-60.9	-40.5	177.4	-176	166.3	179	131.5	0	112.9	F56 L58 K64 L157 E159	F56-K60 WeakPolarHBondContact O-CB 3.41Å; F56-K60 PolarHBondContact O-N 2.8Å; L58-K60 VanDerWaalsContact C-N 3.32Å; L58-K60 PolarHBondContact O-N 2.87Å; K60-K64 WeakPolarHBondContact O-CG 3.31Å; K60-K64 PolarHBondContact O-N 3.46Å; K60-L157 HydrophobicContact CB-CD2 3.93Å; K60-E159 VanDerWaalsContact CD-OE1 3.26Å; K60-E159 WeakPolarHBondContact CD-OE1 2.9Å; K60-E159 WeakPolarHBondContact CE-OE1 3.14Å; K60-E159 WeakPolarHBondContact CG-OE1 3.44Å; K60-E159 IonicContact NZ-OE1 2.65Å; K60-E159 PolarHBondContact NZ-OE1 3.27Å; K60-E159 IonicContact NZ-OE2 3.67Å
61	I	85.7	Confident	81	Confident	15 Å²	15	45 Å²	45	8%	0.077	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-45.8	176	-72.3	167.1	0	0	0	110.6	L19 F20 K57 L58 C59 M63 K64 Q65	L19-I61 HydrophobicContact CD2-CG2 4.44Å; F20-I61 HydrophobicContact CD1-CD1 3.42Å; F20-I61 VanDerWaalsContact CD1-CD1 3.42Å; F20-I61 HydrophobicContact CE1-CD1 3.09Å; F20-I61 HydrophobicContact CG-CD1 4.3Å; F20-I61 HydrophobicContact CZ-CD1 3.72Å; K57-I61 VanDerWaalsContact O-CG1 3.3Å; K57-I61 WeakPolarHBondContact O-CG1 3.48Å; K57-I61 PolarHBondContact O-N 2.91Å; K57-I61 VanDerWaalsContact O-N 3.14Å; L58-I61 PolarHBondContact O-N 2.83Å; C59-I61 PolarHBondContact O-N 2.88Å; I61-M63 PolarHBondContact O-N 3.46Å; I61-K64 PolarHBondContact O-N 2.89Å; I61-Q65 HydrophobicContact CG2-CG 4.39Å; I61-Q65 VanDerWaalsContact O-CG 3.31Å; I61-Q65 WeakPolarHBondContact O-CG 3.36Å; I61-Q65 PolarHBondContact O-N 3.37Å
62	I	86	Confident	81.7	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-46.4	179.2	-64.7	155.1	0	0	0	110.6	L58 C59 K64 Q65 V66 M104 H108	L58-I62 HydrophobicContact CD1-CD1 3.95Å; L58-I62 HydrophobicContact CD1-CG1 4.27Å; L58-I62 HydrophobicContact CG-CD1 3.77Å; L58-I62 WeakPolarHBondContact O-CD1 3.38Å; L58-I62 VanDerWaalsContact O-CG1 3.29Å; L58-I62 WeakPolarHBondContact O-CG1 3.37Å; L58-I62 PolarHBondContact O-N 2.89Å; C59-I62 PolarHBondContact O-N 2.8Å; I62-K64 VanDerWaalsContact C-N 3.33Å; I62-K64 PolarHBondContact O-N 3.41Å; I62-Q65 PolarHBondContact O-N 3.45Å; I62-V66 HydrophobicContact CG2-CG2 4.35Å; I62-V66 WeakPolarHBondContact O-CG2 3.38Å; I62-V66 PolarHBondContact O-N 3.43Å; I62-M104 HydrophobicContact CG2-CB 3.67Å; I62-H108 HydrophobicContact CD1-CB 3.35Å; I62-H108 HydrophobicContact CG1-CB 4.09Å
63	M	86.6	Confident	82.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-55.7	-49.2	176.4	-72.2	170.9	70.3	0	0	111.1	C59 I61 Q65 V66 L67 L101 L157 E159 V170 V172	C59-M63 WeakPolarHBondContact O-CG 3.4Å; C59-M63 PolarHBondContact O-N 3.34Å; I61-M63 PolarHBondContact O-N 3.46Å; M63-Q65 PolarHBondContact O-N 2.97Å; M63-V66 PolarHBondContact O-N 3.4Å; M63-L67 WeakPolarHBondContact O-CB 3.45Å; M63-L67 WeakPolarHBondContact O-CD1 3.41Å; M63-L67 WeakPolarHBondContact O-CG 3Å; M63-L67 PolarHBondContact O-N 2.91Å; M63-L101 HydrophobicContact CB-CD2 4.33Å; M63-L101 HydrophobicContact CG-CD2 4.21Å; M63-L157 HydrophobicContact SD-CD2 3.48Å; M63-L157 WeakPolarHBondContact SD-CD2 3.13Å; M63-L157 HydrophobicContact SD-CG 3.92Å; M63-E159 HydrophobicContact CE-CB 3.74Å; M63-E159 HydrophobicContact CE-CG 3.6Å; M63-E159 HydrophobicContact SD-CG 4.3Å; M63-V170 HydrophobicContact CE-CB 3.79Å; M63-V170 HydrophobicContact CE-CG1 3.63Å; M63-V172 HydrophobicContact CE-CG2 4.04Å; M63-V172 HydrophobicContact CG-CG2 4.24Å; M63-V172 HydrophobicContact SD-CB 4.48Å; M63-V172 HydrophobicContact SD-CG2 3.73Å
64	K	86.9	Confident	82	Confident	49 Å²	49	47.9 Å²	47.9	21%	0.213	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-45.8	178	-74.5	-173.7	175.4	-159.5	0	112.7	L26 K60 I61 I62 V66 L67 E68	L26-K64 VanDerWaalsContact CD1-NZ 3.32Å; K60-K64 WeakPolarHBondContact O-CG 3.31Å; K60-K64 PolarHBondContact O-N 3.46Å; I61-K64 PolarHBondContact O-N 2.89Å; I62-K64 VanDerWaalsContact C-N 3.33Å; I62-K64 PolarHBondContact O-N 3.41Å; K64-V66 PolarHBondContact O-N 2.92Å; K64-L67 PolarHBondContact O-N 2.94Å; K64-E68 WeakPolarHBondContact O-CB 3.39Å; K64-E68 VanDerWaalsContact O-CG 3.25Å; K64-E68 WeakPolarHBondContact O-CG 3.33Å; K64-E68 PolarHBondContact O-N 3.48Å
65	Q	88	Confident	81.3	Confident	39 Å²	39	52.1 Å²	52.1	18%	0.182	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-44.4	179.5	-73.9	-179.7	-35.1	0	0	112.9	L19 I61 I62 M63 L67 E68 Q69	L19-Q65 HydrophobicContact CD2-CG 4.44Å; I61-Q65 HydrophobicContact CG2-CG 4.39Å; I61-Q65 VanDerWaalsContact O-CG 3.31Å; I61-Q65 WeakPolarHBondContact O-CG 3.36Å; I61-Q65 PolarHBondContact O-N 3.37Å; I62-Q65 PolarHBondContact O-N 3.45Å; M63-Q65 PolarHBondContact O-N 2.97Å; Q65-L67 VanDerWaalsContact C-N 3.33Å; Q65-E68 PolarHBondContact O-N 2.97Å; Q65-Q69 WeakPolarHBondContact O-CB 3.28Å; Q65-Q69 VanDerWaalsContact O-CG 3.29Å; Q65-Q69 WeakPolarHBondContact O-CG 3.4Å; Q65-Q69 PolarHBondContact O-N 2.8Å
66	V	88.5	Confident	80	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-66.9	-39.7	179.2	175	0	0	0	0	110.3	I62 M63 K64 Q69 F70 L97 Q100 L101 M104	I62-V66 HydrophobicContact CG2-CG2 4.35Å; I62-V66 WeakPolarHBondContact O-CG2 3.38Å; I62-V66 PolarHBondContact O-N 3.43Å; M63-V66 PolarHBondContact O-N 3.4Å; K64-V66 PolarHBondContact O-N 2.92Å; V66-Q69 PolarHBondContact O-N 3.28Å; V66-F70 WeakPolarHBondContact O-CB 3.38Å; V66-F70 PolarHBondContact O-N 2.98Å; V66-L97 HydrophobicContact CG1-CD1 3.74Å; V66-Q100 HydrophobicContact CG1-CB 4.19Å; V66-Q100 HydrophobicContact CG1-CG 3.82Å; V66-Q100 HydrophobicContact CG2-CG 4.43Å; V66-L101 HydrophobicContact CB-CD2 3.68Å; V66-L101 HydrophobicContact CB-CG 4.2Å; V66-L101 HydrophobicContact CG1-CD2 3.74Å; V66-L101 HydrophobicContact CG1-CG 3.68Å; V66-L101 HydrophobicContact CG2-CD2 4.26Å; V66-M104 HydrophobicContact CG2-CB 3.98Å; V66-M104 HydrophobicContact CG2-CG 3.89Å
67	L	87.1	Confident	78.2	Confident	3 Å²	3	54 Å²	54	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-67.4	-40.4	176.3	-70.5	169.4	0	0	0	112.7	M63 K64 Q65 F70 I71 L97 I161 V170	M63-L67 WeakPolarHBondContact O-CB 3.45Å; M63-L67 WeakPolarHBondContact O-CD1 3.41Å; M63-L67 WeakPolarHBondContact O-CG 3Å; M63-L67 PolarHBondContact O-N 2.91Å; K64-L67 PolarHBondContact O-N 2.94Å; Q65-L67 VanDerWaalsContact C-N 3.33Å; L67-F70 WeakPolarHBondContact O-CB 3.47Å; L67-F70 PolarHBondContact O-N 3.11Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.19Å; L67-I71 PolarHBondContact O-N 2.87Å; L67-L97 HydrophobicContact CD2-CD1 4.31Å; L67-L97 HydrophobicContact CD2-CD2 4.16Å; L67-I161 HydrophobicContact CB-CD1 3.92Å; L67-I161 HydrophobicContact CD1-CD1 4.3Å; L67-I161 HydrophobicContact CD1-CG1 4.33Å; L67-I161 HydrophobicContact CD1-CG2 3.98Å; L67-I161 HydrophobicContact CD2-CD1 3.73Å; L67-I161 HydrophobicContact CD2-CG1 4.27Å; L67-I161 HydrophobicContact CG-CD1 4.18Å; L67-V170 HydrophobicContact CD1-CG2 3.95Å; L67-V170 HydrophobicContact CD2-CG2 3.69Å; L67-V170 HydrophobicContact CG-CG2 4.3Å
68	E	86.1	Confident	76.8	Confident	117 Å²	117	55.2 Å²	55.2	55%	0.547	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-46.8	174.2	-76.7	167	-175.2	0	0	111	K64 Q65 F70 I71 S72	K64-E68 WeakPolarHBondContact O-CB 3.39Å; K64-E68 VanDerWaalsContact O-CG 3.25Å; K64-E68 WeakPolarHBondContact O-CG 3.33Å; K64-E68 PolarHBondContact O-N 3.48Å; Q65-E68 PolarHBondContact O-N 2.97Å; E68-F70 VanDerWaalsContact C-N 3.31Å; E68-F70 PolarHBondContact O-N 3.33Å; E68-I71 PolarHBondContact O-N 2.85Å; E68-S72 WeakPolarHBondContact O-CB 3.44Å; E68-S72 PolarHBondContact O-N 2.66Å; E68-S72 PolarHBondContact O-OG 3.46Å; E68-S72 VanDerWaalsContact O-OG 3.11Å
69	Q	85	Confident	75.2	Confident	94 Å²	94	59.9 Å²	59.9	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-59.2	-42.2	174.5	-74.8	176.6	-3.1	0	0	112.1	Q65 V66 S72 N73	Q65-Q69 WeakPolarHBondContact O-CB 3.28Å; Q65-Q69 VanDerWaalsContact O-CG 3.29Å; Q65-Q69 WeakPolarHBondContact O-CG 3.4Å; Q65-Q69 PolarHBondContact O-N 2.8Å; V66-Q69 PolarHBondContact O-N 3.28Å; Q69-S72 PolarHBondContact O-N 2.92Å; Q69-N73 WeakPolarHBondContact O-CB 3.36Å; Q69-N73 VanDerWaalsContact O-CG 3.23Å; Q69-N73 PolarHBondContact O-N 3.45Å; Q69-N73 PolarHBondContact O-ND2 3.49Å
70	F	81.8	Confident	73.4	Confident	22 Å²	22	65.5 Å²	65.5	10%	0.096	35%	0.346	C	S	.	.	H	α-helix	trans	-60.5	-47.1	176.5	177.9	-93.2	0	0	0	111.9	V66 L67 E68 N73 Y74 L97 L168	V66-F70 WeakPolarHBondContact O-CB 3.38Å; V66-F70 PolarHBondContact O-N 2.98Å; L67-F70 WeakPolarHBondContact O-CB 3.47Å; L67-F70 PolarHBondContact O-N 3.11Å; E68-F70 VanDerWaalsContact C-N 3.31Å; E68-F70 PolarHBondContact O-N 3.33Å; F70-N73 PolarHBondContact O-N 2.8Å; F70-Y74 HydrophobicContact CD1-CD2 4.46Å; F70-Y74 AromaticContact CE1-CD2 3.84Å; F70-Y74 HydrophobicContact CE1-CD2 3.84Å; F70-Y74 HydrophobicContact CE1-CE2 4.09Å; F70-Y74 HydrophobicContact CE2-CD2 4.21Å; F70-Y74 HydrophobicContact CE2-CE2 4.15Å; F70-Y74 AromaticContact CZ-CD2 3.72Å; F70-Y74 HydrophobicContact CZ-CD2 3.72Å; F70-Y74 AromaticContact CZ-CE2 3.58Å; F70-Y74 HydrophobicContact CZ-CE2 3.58Å; F70-Y74 PolarHBondContact O-N 3.42Å; F70-L97 HydrophobicContact CB-CD1 3.96Å; F70-L97 HydrophobicContact CD1-CD2 4.12Å; F70-L97 HydrophobicContact CD2-CB 4.03Å; F70-L97 HydrophobicContact CD2-CD1 3.98Å; F70-L97 HydrophobicContact CD2-CD2 3.89Å; F70-L97 HydrophobicContact CD2-CG 4.19Å; F70-L97 HydrophobicContact CE1-CD2 4.22Å; F70-L97 HydrophobicContact CE2-CB 4.08Å; F70-L97 HydrophobicContact CE2-CD2 3.97Å; F70-L97 HydrophobicContact CE2-CG 4.49Å; F70-L97 HydrophobicContact CG-CD1 4.04Å; F70-L97 HydrophobicContact CG-CD2 3.95Å; F70-L97 HydrophobicContact CG-CG 4.49Å; F70-L97 HydrophobicContact CZ-CD2 4.13Å; F70-L168 HydrophobicContact CD1-CD1 4.03Å; F70-L168 HydrophobicContact CE1-CD1 3.66Å; F70-L168 HydrophobicContact CZ-CD1 4.46Å
71	I	80.9	Confident	71.6	Confident	53 Å²	53	68.4 Å²	68.4	27%	0.272	36%	0.361	S	S	.	.	H	α-helix	trans	-63.2	-44.4	176.8	-65.6	164.2	0	0	0	110.8	L67 E68 N73 Y74 N75 I161	L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.19Å; L67-I71 PolarHBondContact O-N 2.87Å; E68-I71 PolarHBondContact O-N 2.85Å; I71-N73 PolarHBondContact O-N 2.8Å; I71-Y74 WeakPolarHBondContact O-CB 3.26Å; I71-Y74 PolarHBondContact O-N 3.23Å; I71-Y74 VanDerWaalsContact O-N 3.13Å; I71-N75 PolarHBondContact O-N 3.41Å; I71-I161 HydrophobicContact CD1-CD1 3.72Å; I71-I161 HydrophobicContact CG1-CD1 4.18Å
72	S	79.2	Confident	69.7	Low	78 Å²	78	71.1 Å²	71.1	55%	0.545	37%	0.374	S	S	.	.	H	α-helix	trans	-61.2	-42.9	-179.9	-67	0	0	0	0	112.5	E68 Q69 Y74 N75	E68-S72 WeakPolarHBondContact O-CB 3.44Å; E68-S72 PolarHBondContact O-N 2.66Å; E68-S72 PolarHBondContact O-OG 3.46Å; E68-S72 VanDerWaalsContact O-OG 3.11Å; Q69-S72 PolarHBondContact O-N 2.92Å; S72-Y74 PolarHBondContact O-N 3.03Å; S72-N75 PolarHBondContact O-N 3.41Å
73	N	73.4	Confident	68	Low	125 Å²	125	79.3 Å²	79.3	67%	0.668	41%	0.405	S	S	*	.	H	α-helix	trans	-64.9	-31	176.7	-70	-13.1	0	0	0	111.8	Q69 F70 I71	Q69-N73 WeakPolarHBondContact O-CB 3.36Å; Q69-N73 VanDerWaalsContact O-CG 3.23Å; Q69-N73 PolarHBondContact O-N 3.45Å; Q69-N73 PolarHBondContact O-ND2 3.49Å; F70-N73 PolarHBondContact O-N 2.8Å; I71-N73 PolarHBondContact O-N 2.8Å
74	Y	67.1	Low	66.1	Low	42 Å²	42	84.6 Å²	84.6	17%	0.165	44%	0.442	C	S	.	.	H	α-helix	trans	-74.6	-37.4	178.2	-117.5	-62.1	0	0	0	112.9	F70 I71 S72 G76 Y79 L93 F165	F70-Y74 HydrophobicContact CD1-CD2 4.46Å; F70-Y74 AromaticContact CE1-CD2 3.84Å; F70-Y74 HydrophobicContact CE1-CD2 3.84Å; F70-Y74 HydrophobicContact CE1-CE2 4.09Å; F70-Y74 HydrophobicContact CE2-CD2 4.21Å; F70-Y74 HydrophobicContact CE2-CE2 4.15Å; F70-Y74 AromaticContact CZ-CD2 3.72Å; F70-Y74 HydrophobicContact CZ-CD2 3.72Å; F70-Y74 AromaticContact CZ-CE2 3.58Å; F70-Y74 HydrophobicContact CZ-CE2 3.58Å; F70-Y74 PolarHBondContact O-N 3.42Å; I71-Y74 WeakPolarHBondContact O-CB 3.26Å; I71-Y74 PolarHBondContact O-N 3.23Å; I71-Y74 VanDerWaalsContact O-N 3.13Å; S72-Y74 PolarHBondContact O-N 3.03Å; Y74-G76 PolarHBondContact O-N 3.29Å; Y74-Y79 HydrophobicContact CD1-CE1 4.19Å; Y74-Y79 HydrophobicContact CD1-CE2 4.23Å; Y74-Y79 AromaticContact CD1-CZ 3.55Å; Y74-Y79 WeakPolarHBondContact CD1-OH 3.39Å; Y74-Y79 HydrophobicContact CE1-CE1 4.41Å; Y74-Y79 WeakPolarHBondContact O-CE2 3.32Å; Y74-L93 HydrophobicContact CE2-CD1 3.94Å; Y74-L93 WeakPolarHBondContact OH-CD1 3.25Å; Y74-F165 AromaticContact CD1-CE2 3.71Å; Y74-F165 HydrophobicContact CD1-CE2 3.71Å; Y74-F165 AromaticContact CD1-CZ 3.83Å; Y74-F165 HydrophobicContact CD1-CZ 3.83Å; Y74-F165 HydrophobicContact CD2-CE2 4.19Å; Y74-F165 HydrophobicContact CE1-CE1 4.48Å; Y74-F165 AromaticContact CE1-CE2 3.31Å; Y74-F165 HydrophobicContact CE1-CE2 3.31Å; Y74-F165 AromaticContact CE1-CZ 3.18Å; Y74-F165 HydrophobicContact CE1-CZ 3.18Å; Y74-F165 AromaticContact CE2-CE2 3.81Å; Y74-F165 HydrophobicContact CE2-CE2 3.81Å; Y74-F165 HydrophobicContact CE2-CZ 4.43Å; Y74-F165 HydrophobicContact CG-CE2 4.08Å; Y74-F165 AromaticContact CZ-CE2 3.29Å; Y74-F165 AromaticContact CZ-CZ 3.49Å; Y74-F165 VanDerWaalsContact CZ-CZ 3.49Å
75	N	58	Low	64.3	Low	104 Å²	104	90.6 Å²	90.6	56%	0.556	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-11	179.1	-71.2	-16.7	0	0	0	113.7	I71 S72	I71-N75 PolarHBondContact O-N 3.41Å; S72-N75 PolarHBondContact O-N 3.41Å
76	G	50.5	Low	62.7	Low	55 Å²	55	93.1 Å²	93.1	57%	0.567	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-16.9	-169.6	0	0	0	0	0	117.4	Y74	Y74-G76 PolarHBondContact O-N 3.29Å
77	D	43.6	Very low	60.9	Low	131 Å²	131	100.9 Å²	100.9	70%	0.701	51%	0.511	S	S	*	.	S	Bend	trans	-153.4	120.9	-173.1	-95.5	-45.4	0	0	0	113.3
78	K	49.3	Very low	59.3	Low	148 Å²	148	104.9 Å²	104.9	64%	0.643	54%	0.539	S	S	*	.			trans	71.5	43	154.9	-55.6	-178.9	-178.8	177.3	0	119.7	S80 Q81	K78-S80 PolarHBondContact O-N 2.96Å; K78-Q81 PolarHBondContact O-N 3.48Å
79	Y	48.6	Very low	58	Low	99 Å²	99	101.7 Å²	101.7	39%	0.388	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-4.3	176.4	-96.4	-61.3	0	0	0	117.5	Y74 I164 F165	Y74-Y79 HydrophobicContact CD1-CE1 4.19Å; Y74-Y79 HydrophobicContact CD1-CE2 4.23Å; Y74-Y79 AromaticContact CD1-CZ 3.55Å; Y74-Y79 WeakPolarHBondContact CD1-OH 3.39Å; Y74-Y79 HydrophobicContact CE1-CE1 4.41Å; Y74-Y79 WeakPolarHBondContact O-CE2 3.32Å; Y79-I164 HydrophobicContact CD1-CD1 3.91Å; Y79-I164 HydrophobicContact CE1-CD1 3.03Å; Y79-I164 HydrophobicContact CE1-CG1 3.9Å; Y79-I164 HydrophobicContact CE2-CD1 4.36Å; Y79-I164 HydrophobicContact CE2-CG1 4.46Å; Y79-I164 WeakPolarHBondContact OH-CD1 3.36Å; Y79-I164 WeakPolarHBondContact OH-CG1 3.25Å; Y79-F165 HydrophobicContact CE1-CE1 4Å; Y79-F165 HydrophobicContact CE1-CE2 4.3Å; Y79-F165 AromaticContact CE1-CZ 3.54Å; Y79-F165 HydrophobicContact CE1-CZ 3.54Å; Y79-F165 AromaticContact CZ-CZ 3.98Å; Y79-F165 WeakPolarHBondContact OH-CE2 3.44Å
80	S	45.3	Very low	57.2	Low	117 Å²	117	98.7 Å²	98.7	82%	0.818	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-9	178.3	58.2	0	0	0	0	115.1	K78	K78-S80 PolarHBondContact O-N 2.96Å
81	Q	45.8	Very low	56.8	Low	145 Å²	145	102.5 Å²	102.5	68%	0.678	54%	0.535	S	S	*	.	S	Bend	trans	-113.6	-2.9	-172.8	-80.6	-175.4	-12.9	0	0	116.1	K78	K78-Q81 PolarHBondContact O-N 3.48Å
82	M	46.5	Very low	56.7	Low	71 Å²	71	106 Å²	106	35%	0.35	55%	0.551	S	S	.	*			trans	-98.2	-3.9	-171	-87.4	-145.6	166.7	0	0	117.1	S84 Q89	M82-S84 PolarHBondContact O-N 3.21Å; M82-S84 VanDerWaalsContact O-N 3.15Å; M82-Q89 PolarHBondContact SD-OE1 3.29Å
83	R	49	Very low	56.8	Low	172 Å²	172	104.8 Å²	104.8	65%	0.649	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-12	179.7	-77	-170.2	-174.2	-158.8	-2.1	114.5	E133	R83-E133 IonicContact CZ-OE1 3.56Å; R83-E133 IonicContact CZ-OE2 3.53Å; R83-E133 IonicContact NH1-OE1 3.61Å; R83-E133 IonicContact NH1-OE2 2.83Å; R83-E133 PolarHBondContact NH1-OE2 2.87Å; R83-E133 VanDerWaalsContact NH2-CD 3.35Å; R83-E133 IonicContact NH2-OE1 2.66Å; R83-E133 PolarHBondContact NH2-OE1 2.7Å; R83-E133 IonicContact NH2-OE2 3.4Å; R83-E133 PolarHBondContact NH2-OE2 2.64Å
84	S	46.9	Very low	57.4	Low	112 Å²	112	100 Å²	100	78%	0.783	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	2	-177.6	57.4	0	0	0	0	115.5	M82	M82-S84 PolarHBondContact O-N 3.21Å; M82-S84 VanDerWaalsContact O-N 3.15Å
85	R	50.4	Low	58.3	Low	174 Å²	174	101.4 Å²	101.4	66%	0.657	53%	0.527	S	S	*	.	S	Bend	trans	-125.3	22.1	175.4	-76.1	-174.3	173.2	-179.1	-1.4	113.5	E87	R85-E87 PolarHBondContact O-N 2.99Å
86	Q	52.9	Low	59.6	Low	92 Å²	92	100.4 Å²	100.4	43%	0.43	52%	0.522	S	S	.	.	H	α-helix	trans	-74.1	-21.3	-151.6	-132.1	170.4	-0.8	0	0	116.1	S90	Q86-S90 WeakPolarHBondContact O-CB 3.28Å; Q86-S90 PolarHBondContact O-N 2.95Å; Q86-S90 PolarHBondContact O-OG 3.26Å
87	E	51.9	Low	61.5	Low	165 Å²	165	97.9 Å²	97.9	77%	0.771	50%	0.495	S	S	*	.	H	α-helix	trans	-87.3	-38.9	-176.5	-69.1	-175.5	167.2	0	0	114.1	R85 S90 N91	R85-E87 PolarHBondContact O-N 2.99Å; E87-S90 PolarHBondContact O-OG 2.94Å; E87-S90 VanDerWaalsContact O-OG 3.07Å; E87-N91 PolarHBondContact O-ND2 3.17Å
88	S	52.5	Low	63.8	Low	86 Å²	86	93.2 Å²	93.2	60%	0.601	47%	0.471	S	S	*	.	H	α-helix	trans	-76.3	-36.5	179.5	54.2	0	0	0	0	112.2
89	Q	59.1	Low	65.7	Low	51 Å²	51	89.5 Å²	89.5	24%	0.238	46%	0.459	C	S	.	.	H	α-helix	trans	-75.6	-31.9	179.6	-66.8	-178.5	-31.1	0	0	112.6	M82 L93	M82-Q89 PolarHBondContact SD-OE1 3.29Å; Q89-L93 WeakPolarHBondContact O-CB 3.43Å; Q89-L93 WeakPolarHBondContact O-CD1 3.48Å; Q89-L93 WeakPolarHBondContact O-CG 3.45Å; Q89-L93 PolarHBondContact O-N 2.94Å
90	S	67.6	Low	67.6	Low	30 Å²	30	87.8 Å²	87.8	21%	0.21	45%	0.454	C	S	.	.	H	α-helix	trans	-65.8	-42.2	177.1	52.1	0	0	0	0	112	Q86 E87 E92 L93 L94	Q86-S90 WeakPolarHBondContact O-CB 3.28Å; Q86-S90 PolarHBondContact O-N 2.95Å; Q86-S90 PolarHBondContact O-OG 3.26Å; E87-S90 PolarHBondContact O-OG 2.94Å; E87-S90 VanDerWaalsContact O-OG 3.07Å; S90-E92 PolarHBondContact O-N 3.26Å; S90-L93 PolarHBondContact O-N 2.76Å; S90-L94 WeakPolarHBondContact O-CB 3.36Å; S90-L94 VanDerWaalsContact O-CG 3.24Å; S90-L94 WeakPolarHBondContact O-CG 3.38Å; S90-L94 PolarHBondContact O-N 3.33Å
91	N	74.2	Confident	69.8	Low	103 Å²	103	82.2 Å²	82.2	55%	0.551	42%	0.415	S	S	*	.	H	α-helix	trans	-61.7	-46	178.4	-76	-25.3	0	0	0	112.5	E87 L93 L94 C95	E87-N91 PolarHBondContact O-ND2 3.17Å; N91-L93 VanDerWaalsContact C-N 3.33Å; N91-L93 PolarHBondContact O-N 3.15Å; N91-L94 PolarHBondContact O-N 3.27Å; N91-C95 WeakPolarHBondContact O-CB 3.29Å; N91-C95 PolarHBondContact O-N 3.35Å; N91-C95 PolarHBondContact O-SG 3.38Å
92	E	79.6	Confident	71.8	Confident	127 Å²	127	80.2 Å²	80.2	59%	0.593	40%	0.402	S	S	*	.	H	α-helix	trans	-61.3	-42.6	178	-171.5	-179.6	173.4	0	0	111.7	S90 C95 N96	S90-E92 PolarHBondContact O-N 3.26Å; E92-C95 PolarHBondContact O-N 3.33Å; E92-N96 WeakPolarHBondContact O-CB 3.36Å; E92-N96 VanDerWaalsContact O-CG 3.23Å; E92-N96 PolarHBondContact O-N 2.82Å; E92-N96 PolarHBondContact O-ND2 2.93Å
93	L	80.3	Confident	73.7	Confident	52 Å²	52	81.8 Å²	81.8	27%	0.272	41%	0.408	S	S	.	.	H	α-helix	trans	-65.6	-42.4	178.6	-70.4	169.4	0	0	0	112.4	Y74 Q89 S90 N91 N96 L97	Y74-L93 HydrophobicContact CE2-CD1 3.94Å; Y74-L93 WeakPolarHBondContact OH-CD1 3.25Å; Q89-L93 WeakPolarHBondContact O-CB 3.43Å; Q89-L93 WeakPolarHBondContact O-CD1 3.48Å; Q89-L93 WeakPolarHBondContact O-CG 3.45Å; Q89-L93 PolarHBondContact O-N 2.94Å; S90-L93 PolarHBondContact O-N 2.76Å; N91-L93 VanDerWaalsContact C-N 3.33Å; N91-L93 PolarHBondContact O-N 3.15Å; L93-N96 PolarHBondContact O-N 3.07Å; L93-L97 WeakPolarHBondContact O-CB 3.29Å; L93-L97 PolarHBondContact O-N 2.79Å
94	L	85.2	Confident	75.5	Confident	23 Å²	23	75.6 Å²	75.6	12%	0.12	39%	0.387	C	S	.	.	H	α-helix	trans	-66.6	-38.9	175.7	-67.7	174.9	0	0	0	111.6	S90 N91 L97 T98 V126 Q128 L168	S90-L94 WeakPolarHBondContact O-CB 3.36Å; S90-L94 VanDerWaalsContact O-CG 3.24Å; S90-L94 WeakPolarHBondContact O-CG 3.38Å; S90-L94 PolarHBondContact O-N 3.33Å; N91-L94 PolarHBondContact O-N 3.27Å; L94-L97 PolarHBondContact O-N 3.28Å; L94-T98 WeakPolarHBondContact O-CB 3.4Å; L94-T98 PolarHBondContact O-N 3.02Å; L94-T98 PolarHBondContact O-OG1 2.78Å; L94-V126 HydrophobicContact CD2-CG1 3.94Å; L94-Q128 HydrophobicContact CD1-CB 3.74Å; L94-Q128 HydrophobicContact CD2-CB 4Å; L94-L168 HydrophobicContact CD2-CD2 3.84Å
95	C	86.1	Confident	77.3	Confident	73 Å²	73	70.3 Å²	70.3	49%	0.493	35%	0.35	S	S	.	.	H	α-helix	trans	-61.7	-43.7	172.6	-73.6	0	0	0	0	111.6	N91 E92 T98 N99	N91-C95 WeakPolarHBondContact O-CB 3.29Å; N91-C95 PolarHBondContact O-N 3.35Å; N91-C95 PolarHBondContact O-SG 3.38Å; E92-C95 PolarHBondContact O-N 3.33Å; C95-T98 PolarHBondContact O-N 2.91Å; C95-N99 WeakPolarHBondContact O-CB 3.17Å; C95-N99 PolarHBondContact O-N 2.78Å; C95-N99 PolarHBondContact O-ND2 3.17Å
96	N	87.2	Confident	78.9	Confident	83 Å²	83	63.7 Å²	63.7	44%	0.444	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-45.4	176.8	-74.2	-23.6	0	0	0	111.6	E92 L93 T98 N99 Q100	E92-N96 WeakPolarHBondContact O-CB 3.36Å; E92-N96 VanDerWaalsContact O-CG 3.23Å; E92-N96 PolarHBondContact O-N 2.82Å; E92-N96 PolarHBondContact O-ND2 2.93Å; L93-N96 PolarHBondContact O-N 3.07Å; N96-T98 PolarHBondContact O-N 2.65Å; N96-N99 PolarHBondContact O-N 3.19Å; N96-Q100 WeakPolarHBondContact O-CB 3.23Å; N96-Q100 PolarHBondContact O-N 3.22Å
97	L	89.3	Confident	80.2	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-46.6	175.2	176.6	56.2	0	0	0	111.6	V66 L67 F70 L93 L94 N99 Q100 L101 V126 L168	V66-L97 HydrophobicContact CG1-CD1 3.74Å; L67-L97 HydrophobicContact CD2-CD1 4.31Å; L67-L97 HydrophobicContact CD2-CD2 4.16Å; F70-L97 HydrophobicContact CB-CD1 3.96Å; F70-L97 HydrophobicContact CD1-CD2 4.12Å; F70-L97 HydrophobicContact CD2-CB 4.03Å; F70-L97 HydrophobicContact CD2-CD1 3.98Å; F70-L97 HydrophobicContact CD2-CD2 3.89Å; F70-L97 HydrophobicContact CD2-CG 4.19Å; F70-L97 HydrophobicContact CE1-CD2 4.22Å; F70-L97 HydrophobicContact CE2-CB 4.08Å; F70-L97 HydrophobicContact CE2-CD2 3.97Å; F70-L97 HydrophobicContact CE2-CG 4.49Å; F70-L97 HydrophobicContact CG-CD1 4.04Å; F70-L97 HydrophobicContact CG-CD2 3.95Å; F70-L97 HydrophobicContact CG-CG 4.49Å; F70-L97 HydrophobicContact CZ-CD2 4.13Å; L93-L97 WeakPolarHBondContact O-CB 3.29Å; L93-L97 PolarHBondContact O-N 2.79Å; L94-L97 PolarHBondContact O-N 3.28Å; L97-N99 VanDerWaalsContact C-N 3.33Å; L97-N99 PolarHBondContact O-N 2.93Å; L97-Q100 PolarHBondContact O-N 3.37Å; L97-L101 HydrophobicContact CD1-CD1 4.08Å; L97-L101 HydrophobicContact CD1-CG 4.22Å; L97-L101 HydrophobicContact CG-CD1 4.08Å; L97-L101 WeakPolarHBondContact O-CB 3.34Å; L97-L101 WeakPolarHBondContact O-CG 3.11Å; L97-L101 PolarHBondContact O-N 2.68Å; L97-V126 HydrophobicContact CD2-CG1 3.87Å; L97-V126 HydrophobicContact CG-CG1 4.38Å; L97-V126 HydrophobicContact CG-CG2 4.39Å; L97-L168 HydrophobicContact CD2-CD1 4.05Å
98	T	91.2	Very high	81.4	Confident	33 Å²	33	57.8 Å²	57.8	20%	0.202	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-45.3	177.3	-55.4	0	0	0	0	111.1	L94 C95 N96 R102 V124 V126	L94-T98 WeakPolarHBondContact O-CB 3.4Å; L94-T98 PolarHBondContact O-N 3.02Å; L94-T98 PolarHBondContact O-OG1 2.78Å; C95-T98 PolarHBondContact O-N 2.91Å; N96-T98 PolarHBondContact O-N 2.65Å; T98-R102 WeakPolarHBondContact O-CB 3.32Å; T98-R102 PolarHBondContact O-N 2.93Å; T98-V124 HydrophobicContact CG2-CB 4.17Å; T98-V124 HydrophobicContact CG2-CG1 4.09Å; T98-V124 WeakPolarHBondContact CG2-O 2.98Å; T98-V126 HydrophobicContact CG2-CG2 4.35Å; T98-V126 WeakPolarHBondContact OG1-CB 3.45Å; T98-V126 WeakPolarHBondContact OG1-CG2 3.38Å
99	N	89.2	Confident	82.5	Confident	71 Å²	71	54.6 Å²	54.6	38%	0.38	28%	0.279	S	S	.	.	H	α-helix	trans	-65.5	-42.6	177.8	-83.8	-36.9	0	0	0	112.6	C95 N96 L97 R102 Q103	C95-N99 WeakPolarHBondContact O-CB 3.17Å; C95-N99 PolarHBondContact O-N 2.78Å; C95-N99 PolarHBondContact O-ND2 3.17Å; N96-N99 PolarHBondContact O-N 3.19Å; L97-N99 VanDerWaalsContact C-N 3.33Å; L97-N99 PolarHBondContact O-N 2.93Å; N99-R102 PolarHBondContact O-N 3.14Å; N99-Q103 WeakPolarHBondContact O-CB 3.3Å; N99-Q103 VanDerWaalsContact O-CG 3.28Å; N99-Q103 WeakPolarHBondContact O-CG 3.41Å; N99-Q103 PolarHBondContact O-N 2.94Å
100	Q	89.7	Confident	83.1	Confident	62 Å²	62	57.9 Å²	57.9	29%	0.29	29%	0.292	S	S	.	.	H	α-helix	trans	-63.9	-45.6	177.5	-173.9	178.3	-8.3	0	0	111.2	V66 N96 L97 R102 Q103 M104	V66-Q100 HydrophobicContact CG1-CB 4.19Å; V66-Q100 HydrophobicContact CG1-CG 3.82Å; V66-Q100 HydrophobicContact CG2-CG 4.43Å; N96-Q100 WeakPolarHBondContact O-CB 3.23Å; N96-Q100 PolarHBondContact O-N 3.22Å; L97-Q100 PolarHBondContact O-N 3.37Å; Q100-R102 VanDerWaalsContact C-N 3.34Å; Q100-R102 PolarHBondContact O-N 3.18Å; Q100-Q103 PolarHBondContact O-N 3.34Å; Q100-M104 HydrophobicContact CG-CG 4.35Å; Q100-M104 WeakPolarHBondContact O-CB 3.24Å; Q100-M104 VanDerWaalsContact O-CG 3.29Å; Q100-M104 WeakPolarHBondContact O-CG 3.34Å; Q100-M104 PolarHBondContact O-N 3.07Å
101	L	90.2	Very high	83	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56	-49.5	173.7	-80.7	164.9	0	0	0	111	M63 V66 L97 T105 V124 V126 V170	M63-L101 HydrophobicContact CB-CD2 4.33Å; M63-L101 HydrophobicContact CG-CD2 4.21Å; V66-L101 HydrophobicContact CB-CD2 3.68Å; V66-L101 HydrophobicContact CB-CG 4.2Å; V66-L101 HydrophobicContact CG1-CD2 3.74Å; V66-L101 HydrophobicContact CG1-CG 3.68Å; V66-L101 HydrophobicContact CG2-CD2 4.26Å; L97-L101 HydrophobicContact CD1-CD1 4.08Å; L97-L101 HydrophobicContact CD1-CG 4.22Å; L97-L101 HydrophobicContact CG-CD1 4.08Å; L97-L101 WeakPolarHBondContact O-CB 3.34Å; L97-L101 WeakPolarHBondContact O-CG 3.11Å; L97-L101 PolarHBondContact O-N 2.68Å; L101-T105 VanDerWaalsContact O-CB 3.23Å; L101-T105 WeakPolarHBondContact O-CB 3.34Å; L101-T105 PolarHBondContact O-N 2.97Å; L101-T105 PolarHBondContact O-OG1 3.42Å; L101-V124 HydrophobicContact CB-CG1 4Å; L101-V124 HydrophobicContact CD1-CG1 4.24Å; L101-V126 HydrophobicContact CD1-CG2 3.61Å; L101-V170 HydrophobicContact CD1-CG1 3.59Å; L101-V170 HydrophobicContact CD1-CG2 4.05Å
102	R	88.4	Confident	82.5	Confident	104 Å²	104	57.4 Å²	57.4	39%	0.392	29%	0.288	S	S	.	.	H	α-helix	trans	-60.2	-50.7	178.8	-173.9	-172.3	65.6	80.9	-1.1	111.5	T98 N99 Q100 T105 V106 V124	T98-R102 WeakPolarHBondContact O-CB 3.32Å; T98-R102 PolarHBondContact O-N 2.93Å; N99-R102 PolarHBondContact O-N 3.14Å; Q100-R102 VanDerWaalsContact C-N 3.34Å; Q100-R102 PolarHBondContact O-N 3.18Å; R102-T105 PolarHBondContact O-N 2.89Å; R102-V106 WeakPolarHBondContact O-CB 3.38Å; R102-V106 VanDerWaalsContact O-CG2 3.26Å; R102-V106 WeakPolarHBondContact O-CG2 3.49Å; R102-V106 PolarHBondContact O-N 3.39Å; R102-V124 HydrophobicContact CB-CG2 4.01Å; R102-V124 HydrophobicContact CG-CG2 4.39Å
103	Q	87.3	Confident	81.6	Confident	103 Å²	103	52.7 Å²	52.7	48%	0.481	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-49	-178	-74.3	177.5	5.2	0	0	111.9	N99 Q100 T105 V106 M107	N99-Q103 WeakPolarHBondContact O-CB 3.3Å; N99-Q103 VanDerWaalsContact O-CG 3.28Å; N99-Q103 WeakPolarHBondContact O-CG 3.41Å; N99-Q103 PolarHBondContact O-N 2.94Å; Q100-Q103 PolarHBondContact O-N 3.34Å; Q103-T105 VanDerWaalsContact C-N 3.35Å; Q103-T105 PolarHBondContact O-N 3.48Å; Q103-V106 PolarHBondContact O-N 3.39Å; Q103-M107 WeakPolarHBondContact O-CB 3.22Å; Q103-M107 VanDerWaalsContact O-CG 3.28Å; Q103-M107 WeakPolarHBondContact O-CG 3.22Å; Q103-M107 PolarHBondContact O-N 2.87Å
104	M	86.4	Confident	80.2	Confident	43 Å²	43	54.5 Å²	54.5	21%	0.212	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-43.5	179	-71.5	-65.4	-70	0	0	111.5	I62 V66 Q100 M107 H108	I62-M104 HydrophobicContact CG2-CB 3.67Å; V66-M104 HydrophobicContact CG2-CB 3.98Å; V66-M104 HydrophobicContact CG2-CG 3.89Å; Q100-M104 HydrophobicContact CG-CG 4.35Å; Q100-M104 WeakPolarHBondContact O-CB 3.24Å; Q100-M104 VanDerWaalsContact O-CG 3.29Å; Q100-M104 WeakPolarHBondContact O-CG 3.34Å; Q100-M104 PolarHBondContact O-N 3.07Å; M104-M107 PolarHBondContact O-N 3.49Å; M104-M107 HydrophobicContact SD-CE 3.61Å; M104-H108 WeakPolarHBondContact CE-NE2 3.23Å; M104-H108 WeakPolarHBondContact O-CB 3.44Å; M104-H108 PolarHBondContact O-CD2 3.32Å; M104-H108 PolarHBondContact O-N 3.25Å
105	T	84.6	Confident	78.8	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-46.1	179.4	-51.6	0	0	0	0	111.1	L101 R102 Q103 L109 L122	L101-T105 VanDerWaalsContact O-CB 3.23Å; L101-T105 WeakPolarHBondContact O-CB 3.34Å; L101-T105 PolarHBondContact O-N 2.97Å; L101-T105 PolarHBondContact O-OG1 3.42Å; R102-T105 PolarHBondContact O-N 2.89Å; Q103-T105 VanDerWaalsContact C-N 3.35Å; Q103-T105 PolarHBondContact O-N 3.48Å; T105-L109 HydrophobicContact CG2-CD1 3.62Å; T105-L109 HydrophobicContact CG2-CG 4.06Å; T105-L109 VanDerWaalsContact O-CB 3.23Å; T105-L109 WeakPolarHBondContact O-CB 3.29Å; T105-L109 VanDerWaalsContact O-CG 3.24Å; T105-L109 WeakPolarHBondContact O-CG 3.31Å; T105-L109 PolarHBondContact O-N 3.08Å; T105-L122 HydrophobicContact CG2-CD1 3.51Å
106	V	83	Confident	77.1	Confident	36 Å²	36	62.3 Å²	62.3	22%	0.218	30%	0.303	C	S	.	.	H	α-helix	trans	-59.9	-49.3	175.1	170.9	0	0	0	0	111.3	R102 Q103 H108 K110 L122	R102-V106 WeakPolarHBondContact O-CB 3.38Å; R102-V106 VanDerWaalsContact O-CG2 3.26Å; R102-V106 WeakPolarHBondContact O-CG2 3.49Å; R102-V106 PolarHBondContact O-N 3.39Å; Q103-V106 PolarHBondContact O-N 3.39Å; V106-H108 PolarHBondContact O-N 3.39Å; V106-K110 HydrophobicContact CG1-CD 3.77Å; V106-K110 HydrophobicContact CG1-CG 4.28Å; V106-K110 VanDerWaalsContact O-CB 3.22Å; V106-K110 WeakPolarHBondContact O-CB 3.3Å; V106-K110 WeakPolarHBondContact O-CG 3.46Å; V106-K110 PolarHBondContact O-N 3.41Å; V106-L122 HydrophobicContact CG2-CD1 3.67Å; V106-L122 HydrophobicContact CG2-CG 4.25Å
107	M	79.9	Confident	75.1	Confident	110 Å²	110	60.9 Å²	60.9	54%	0.542	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-47	-177.5	-76.2	-167.2	-59.3	0	0	111.9	Q103 M104 A111	Q103-M107 WeakPolarHBondContact O-CB 3.22Å; Q103-M107 VanDerWaalsContact O-CG 3.28Å; Q103-M107 WeakPolarHBondContact O-CG 3.22Å; Q103-M107 PolarHBondContact O-N 2.87Å; M104-M107 PolarHBondContact O-N 3.49Å; M104-M107 HydrophobicContact SD-CE 3.61Å; M107-A111 PolarHBondContact O-N 3.09Å; M107-A111 VanDerWaalsContact O-N 3.17Å
108	H	78.5	Confident	73.4	Confident	23 Å²	23	62.2 Å²	62.2	11%	0.106	32%	0.322	C	S	.	.	H	α-helix	trans	-73.2	-45.1	-178.5	-78.2	-69.3	0	0	0	111.8	I62 M104 V106 K110 A111 F112	I62-H108 HydrophobicContact CD1-CB 3.35Å; I62-H108 HydrophobicContact CG1-CB 4.09Å; M104-H108 WeakPolarHBondContact CE-NE2 3.23Å; M104-H108 WeakPolarHBondContact O-CB 3.44Å; M104-H108 PolarHBondContact O-CD2 3.32Å; M104-H108 PolarHBondContact O-N 3.25Å; V106-H108 PolarHBondContact O-N 3.39Å; H108-K110 VanDerWaalsContact C-N 3.33Å; H108-K110 PolarHBondContact O-N 3.47Å; H108-A111 WeakPolarHBondContact O-CB 3.42Å; H108-A111 PolarHBondContact O-N 3Å; H108-A111 VanDerWaalsContact O-N 3.08Å; H108-F112 VanDerWaalsContact O-CD2 3.27Å; H108-F112 WeakPolarHBondContact O-CD2 3.37Å; H108-F112 PolarHBondContact O-N 3.47Å
109	L	75.1	Confident	72.5	Confident	19 Å²	19	64.1 Å²	64.1	10%	0.099	33%	0.325	C	S	.	.	H	α-helix	trans	-59.5	-44.6	176.9	-70.7	179.5	0	0	0	111.3	F54 N55 L58 T105 A111 F112 D113 L122	F54-L109 HydrophobicContact CD2-CD1 4.31Å; F54-L109 HydrophobicContact CE2-CD1 3.43Å; F54-L109 VanDerWaalsContact CE2-CD1 3.43Å; F54-L109 HydrophobicContact CE2-CD2 4.44Å; F54-L109 HydrophobicContact CZ-CD1 4.02Å; N55-L109 HydrophobicContact CB-CD2 4.32Å; L58-L109 HydrophobicContact CD2-CD2 4.09Å; L58-L109 HydrophobicContact CG-CD2 4.44Å; T105-L109 HydrophobicContact CG2-CD1 3.62Å; T105-L109 HydrophobicContact CG2-CG 4.06Å; T105-L109 VanDerWaalsContact O-CB 3.23Å; T105-L109 WeakPolarHBondContact O-CB 3.29Å; T105-L109 VanDerWaalsContact O-CG 3.24Å; T105-L109 WeakPolarHBondContact O-CG 3.31Å; T105-L109 PolarHBondContact O-N 3.08Å; L109-A111 PolarHBondContact O-N 3.48Å; L109-F112 PolarHBondContact O-N 3.37Å; L109-F112 VanDerWaalsContact O-N 3.07Å; L109-D113 VanDerWaalsContact O-CB 3.25Å; L109-D113 WeakPolarHBondContact O-CB 3.33Å; L109-D113 PolarHBondContact O-N 3.04Å; L109-L122 HydrophobicContact CD1-CD1 4.1Å; L109-L122 HydrophobicContact CD1-CD2 4.27Å
110	K	72	Confident	71.9	Confident	120 Å²	120	62.3 Å²	62.3	52%	0.522	31%	0.313	S	S	.	.	H	α-helix	trans	-57.6	-35.7	174.7	-77.4	-177.7	174.7	-175.6	0	113.1	V106 H108 F112 D113 I114	V106-K110 HydrophobicContact CG1-CD 3.77Å; V106-K110 HydrophobicContact CG1-CG 4.28Å; V106-K110 VanDerWaalsContact O-CB 3.22Å; V106-K110 WeakPolarHBondContact O-CB 3.3Å; V106-K110 WeakPolarHBondContact O-CG 3.46Å; V106-K110 PolarHBondContact O-N 3.41Å; H108-K110 VanDerWaalsContact C-N 3.33Å; H108-K110 PolarHBondContact O-N 3.47Å; K110-F112 VanDerWaalsContact C-N 3.28Å; K110-F112 PolarHBondContact O-N 3.27Å; K110-D113 PolarHBondContact O-N 3.41Å; K110-I114 WeakPolarHBondContact O-CG1 3.25Å; K110-I114 PolarHBondContact O-N 3.41Å
111	A	65.7	Low	71.7	Confident	35 Å²	35	65 Å²	65	29%	0.289	32%	0.324	S	S	.	.	H	α-helix	trans	-69.4	-24.2	179.3	0	0	0	0	0	113.5	M107 H108 L109 I114	M107-A111 PolarHBondContact O-N 3.09Å; M107-A111 VanDerWaalsContact O-N 3.17Å; H108-A111 WeakPolarHBondContact O-CB 3.42Å; H108-A111 PolarHBondContact O-N 3Å; H108-A111 VanDerWaalsContact O-N 3.08Å; L109-A111 PolarHBondContact O-N 3.48Å; A111-I114 VanDerWaalsContact O-CD1 3.27Å; A111-I114 WeakPolarHBondContact O-CD1 3.42Å; A111-I114 WeakPolarHBondContact O-CG1 3.22Å
112	F	62.9	Low	71.4	Confident	87 Å²	87	66.3 Å²	66.3	38%	0.382	33%	0.331	S	S	.	.	H	α-helix	trans	-92.5	-29.4	173.4	-75.6	-91.2	0	0	0	112.3	L16 L58 H108 L109 K110 I114	L16-F112 HydrophobicContact CD1-CE2 3.6Å; L16-F112 HydrophobicContact CD1-CZ 3.67Å; L58-F112 HydrophobicContact CD1-CE2 4.06Å; L58-F112 HydrophobicContact CD2-CB 4.27Å; L58-F112 HydrophobicContact CD2-CD2 3.14Å; L58-F112 HydrophobicContact CD2-CE2 3.47Å; L58-F112 VanDerWaalsContact CD2-CE2 3.47Å; L58-F112 HydrophobicContact CD2-CG 3.74Å; L58-F112 HydrophobicContact CD2-CZ 4.3Å; L58-F112 HydrophobicContact CG-CD2 4.46Å; L58-F112 HydrophobicContact CG-CE2 4.44Å; H108-F112 VanDerWaalsContact O-CD2 3.27Å; H108-F112 WeakPolarHBondContact O-CD2 3.37Å; H108-F112 PolarHBondContact O-N 3.47Å; L109-F112 PolarHBondContact O-N 3.37Å; L109-F112 VanDerWaalsContact O-N 3.07Å; K110-F112 VanDerWaalsContact C-N 3.28Å; K110-F112 PolarHBondContact O-N 3.27Å; F112-I114 VanDerWaalsContact C-N 3.27Å; F112-I114 PolarHBondContact O-N 3.41Å
113	D	61.2	Low	71.4	Confident	28 Å²	28	64.6 Å²	64.6	15%	0.15	33%	0.329	C	S	.	.			trans	-88.7	19.6	-177.2	-159	8.3	0	0	0	113	L109 K110 K115 N116 G117 G118 R119	L109-D113 VanDerWaalsContact O-CB 3.25Å; L109-D113 WeakPolarHBondContact O-CB 3.33Å; L109-D113 PolarHBondContact O-N 3.04Å; K110-D113 PolarHBondContact O-N 3.41Å; D113-K115 PolarHBondContact O-N 2.98Å; D113-N116 CarbonylContact O-C 3.6Å; D113-N116 PolarHBondContact O-N 3.46Å; D113-N116 WeakPolarHBondContact OD1-CB 3.44Å; D113-G117 WeakPolarHBondContact O-CA 3.22Å; D113-G117 PolarHBondContact O-N 3.44Å; D113-G118 VanDerWaalsContact CG-N 3.3Å; D113-G118 WeakPolarHBondContact OD2-CA 3.34Å; D113-G118 PolarHBondContact OD2-N 3.4Å; D113-R119 PolarHBondContact OD2-N 3.36Å
114	I	51.4	Low	71.5	Confident	90 Å²	90	60.6 Å²	60.6	46%	0.462	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.7	-175.5	-54.2	174.3	0	0	0	111.7	K110 A111 F112	K110-I114 WeakPolarHBondContact O-CG1 3.25Å; K110-I114 PolarHBondContact O-N 3.41Å; A111-I114 VanDerWaalsContact O-CD1 3.27Å; A111-I114 WeakPolarHBondContact O-CD1 3.42Å; A111-I114 WeakPolarHBondContact O-CG1 3.22Å; F112-I114 VanDerWaalsContact C-N 3.27Å; F112-I114 PolarHBondContact O-N 3.41Å
115	K	54.3	Low	71.6	Confident	200 Å²	200	64.2 Å²	64.2	87%	0.87	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-26.8	178.2	-79	-169.5	174.4	-172.1	0	113.6	D113	D113-K115 PolarHBondContact O-N 2.98Å
116	N	51.7	Low	71.8	Confident	61 Å²	61	65.2 Å²	65.2	33%	0.326	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	1	-178.3	-56.3	-36.5	0	0	0	113.6	G51 D113 R119	G51-N116 WeakPolarHBondContact CA-ND2 3.17Å; G51-N116 VanDerWaalsContact O-CB 3.24Å; G51-N116 WeakPolarHBondContact O-CB 3.35Å; G51-N116 VanDerWaalsContact O-CG 3.29Å; G51-N116 PolarHBondContact O-ND2 3.46Å; D113-N116 CarbonylContact O-C 3.6Å; D113-N116 PolarHBondContact O-N 3.46Å; D113-N116 WeakPolarHBondContact OD1-CB 3.44Å; N116-R119 WeakPolarHBondContact O-CD 3.01Å; N116-R119 VanDerWaalsContact O-CG 3.27Å; N116-R119 WeakPolarHBondContact O-CG 3.17Å; N116-R119 PolarHBondContact O-NE 3.38Å
117	G	44.3	Very low	72	Confident	52 Å²	52	66.4 Å²	66.4	54%	0.536	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	61.1	163.3	0	0	0	0	0	114.7	D113 R119	D113-G117 WeakPolarHBondContact O-CA 3.22Å; D113-G117 PolarHBondContact O-N 3.44Å; G117-R119 WeakPolarHBondContact O-CG 3.33Å; G117-R119 PolarHBondContact O-N 3.17Å
118	G	54.7	Low	72.1	Confident	29 Å²	29	63.3 Å²	63.3	30%	0.299	32%	0.318	S	S	.	.			trans	43.8	44	157	0	0	0	0	0	115.8	D113 Y120	D113-G118 VanDerWaalsContact CG-N 3.3Å; D113-G118 WeakPolarHBondContact OD2-CA 3.34Å; D113-G118 PolarHBondContact OD2-N 3.4Å; G118-Y120 PolarHBondContact O-N 3.33Å
119	R	71.6	Confident	72.1	Confident	74 Å²	74	63.5 Å²	63.5	28%	0.279	32%	0.321	S	S	.	.			trans	-80.8	28.6	-161.2	-61	-172.6	178.8	179.8	-7.6	114	D113 N116 G117 Y176 H177 E178	D113-R119 PolarHBondContact OD2-N 3.36Å; N116-R119 WeakPolarHBondContact O-CD 3.01Å; N116-R119 VanDerWaalsContact O-CG 3.27Å; N116-R119 WeakPolarHBondContact O-CG 3.17Å; N116-R119 PolarHBondContact O-NE 3.38Å; G117-R119 WeakPolarHBondContact O-CG 3.33Å; G117-R119 PolarHBondContact O-N 3.17Å; R119-Y176 HydrophobicContact CB-CD2 3.74Å; R119-Y176 HydrophobicContact CB-CE2 3.36Å; R119-Y176 VanDerWaalsContact CD-CE2 3.45Å; R119-Y176 WeakPolarHBondContact CD-OH 3.41Å; R119-Y176 HydrophobicContact CG-CE2 4.05Å; R119-Y176 PolarHBondContact NH1-OH 2.99Å; R119-Y176 CarbonylContact O-C 3.49Å; R119-Y176 VanDerWaalsContact O-CA 3.22Å; R119-Y176 WeakPolarHBondContact O-CA 3.41Å; R119-Y176 WeakPolarHBondContact O-CD2 3.27Å; R119-H177 CarbonylContact C-O 3.57Å; R119-H177 VanDerWaalsContact CA-O 3.27Å; R119-H177 WeakPolarHBondContact CA-O 3.44Å; R119-H177 WeakPolarHBondContact CB-O 3.32Å; R119-H177 PolarHBondContact O-N 3.27Å; R119-E178 IonicContact CZ-OE1 3.53Å; R119-E178 IonicContact NH1-OE1 2.72Å; R119-E178 PolarHBondContact NH1-OE1 3.5Å
120	Y	77.8	Confident	71.9	Confident	32 Å²	32	68.4 Å²	68.4	13%	0.125	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	121.3	-174.4	-70	-81	0	0	0	111.9	R52 F54 G118 T153 Y155 A174 C175 Y176	R52-Y120 PolarHBondContact O-OH 2.75Å; F54-Y120 HydrophobicContact CB-CE1 4.45Å; F54-Y120 HydrophobicContact CB-CE2 4.44Å; F54-Y120 HydrophobicContact CD2-CD1 4.35Å; F54-Y120 HydrophobicContact CD2-CD2 4.26Å; F54-Y120 HydrophobicContact CD2-CE1 4.32Å; F54-Y120 HydrophobicContact CD2-CE2 4.26Å; F54-Y120 HydrophobicContact CD2-CG 4.3Å; G118-Y120 PolarHBondContact O-N 3.33Å; Y120-T153 WeakPolarHBondContact CE1-O 3.45Å; Y120-Y155 AromaticContact CE1-CD2 3.95Å; Y120-Y155 HydrophobicContact CE1-CD2 3.95Å; Y120-Y155 HydrophobicContact CE1-CE2 4.2Å; Y120-Y155 VanDerWaalsContact OH-CE2 3.31Å; Y120-Y155 WeakPolarHBondContact OH-CE2 3.29Å; Y120-A174 HydrophobicContact CD1-CB 3.68Å; Y120-A174 HydrophobicContact CE1-CB 4.27Å; Y120-A174 HydrophobicContact CG-CB 4.23Å; Y120-C175 CarbonylContact C-O 3.58Å; Y120-C175 VanDerWaalsContact CA-O 3.32Å; Y120-C175 WeakPolarHBondContact CA-O 3.49Å; Y120-Y176 HydrophobicContact CD1-CD2 4.39Å; Y120-Y176 AromaticContact CE1-CD2 3.81Å; Y120-Y176 HydrophobicContact CE1-CD2 3.81Å; Y120-Y176 HydrophobicContact CE1-CG 4.37Å; Y120-Y176 HydrophobicContact CE2-CD2 4.08Å; Y120-Y176 AromaticContact CZ-CD2 3.62Å
121	K	83.8	Confident	71.3	Confident	119 Å²	119	65.6 Å²	65.6	52%	0.517	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.2	159.6	-71.3	179.5	177.9	169.4	0	107.5	C175 H177	K121-C175 HydrophobicContact CB-CB 4.4Å; K121-C175 PolarHBondContact N-O 3.03Å; K121-C175 PolarHBondContact O-N 3.42Å; K121-H177 HydrophobicContact CD-CB 4.31Å; K121-H177 WeakPolarHBondContact CE-CD2 3.49Å; K121-H177 VanDerWaalsContact CE-NE2 3.34Å; K121-H177 WeakPolarHBondContact CE-NE2 3.14Å; K121-H177 HydrophobicContact CG-CB 4.08Å; K121-H177 PolarHBondContact NZ-CD2 3.03Å; K121-H177 PolarHBondContact NZ-NE2 2.98Å
122	L	85.6	Confident	70.7	Confident	27 Å²	27	68.1 Å²	68.1	14%	0.141	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.4	179.2	-56.9	-174.7	0	0	0	110.6	F54 T105 V106 L109 Y173 A174	F54-L122 HydrophobicContact CE2-CD2 4.32Å; T105-L122 HydrophobicContact CG2-CD1 3.51Å; V106-L122 HydrophobicContact CG2-CD1 3.67Å; V106-L122 HydrophobicContact CG2-CG 4.25Å; L109-L122 HydrophobicContact CD1-CD1 4.1Å; L109-L122 HydrophobicContact CD1-CD2 4.27Å; L122-Y173 CarbonylContact C-O 3.54Å; L122-Y173 VanDerWaalsContact CA-O 3.3Å; L122-Y173 WeakPolarHBondContact CA-O 3.38Å; L122-A174 HydrophobicContact CD2-CB 3.7Å
123	I	86.8	Confident	70	Confident	69 Å²	69	71.4 Å²	71.4	35%	0.354	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.8	168.6	-51.2	168.7	0	0	0	106.6	Y125 V172 Y173	I123-Y125 HydrophobicContact CG2-CD2 4.12Å; I123-Y125 HydrophobicContact CG2-CE2 3.45Å; I123-Y125 VanDerWaalsContact CG2-CE2 3.45Å; I123-V172 CarbonylContact O-C 3.58Å; I123-V172 WeakPolarHBondContact O-CA 3.48Å; I123-Y173 HydrophobicContact CB-CD2 4.36Å; I123-Y173 PolarHBondContact N-O 3.19Å; I123-Y173 PolarHBondContact O-N 3.11Å
124	V	89.9	Confident	69.3	Low	18 Å²	18	73.4 Å²	73.4	11%	0.109	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.8	-178.5	-176.9	0	0	0	0	108.5	T98 L101 R102 V126 V170 I171 V172	T98-V124 HydrophobicContact CG2-CB 4.17Å; T98-V124 HydrophobicContact CG2-CG1 4.09Å; T98-V124 WeakPolarHBondContact CG2-O 2.98Å; L101-V124 HydrophobicContact CB-CG1 4Å; L101-V124 HydrophobicContact CD1-CG1 4.24Å; R102-V124 HydrophobicContact CB-CG2 4.01Å; R102-V124 HydrophobicContact CG-CG2 4.39Å; V124-V126 HydrophobicContact CG1-CG2 4.43Å; V124-V170 HydrophobicContact CG1-CG1 4.37Å; V124-I171 CarbonylContact C-O 3.57Å; V124-I171 WeakPolarHBondContact CA-O 3.35Å; V124-V172 HydrophobicContact CG1-CG2 4.38Å; V124-V172 HydrophobicContact CG2-CG1 4.44Å; V124-V172 HydrophobicContact CG2-CG2 4.28Å
125	Y	89.3	Confident	69.1	Low	120 Å²	120	74.6 Å²	74.6	47%	0.471	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.2	169.6	-64.9	-80.5	0	0	0	109.3	I123 V170 I171 Y173	I123-Y125 HydrophobicContact CG2-CD2 4.12Å; I123-Y125 HydrophobicContact CG2-CE2 3.45Å; I123-Y125 VanDerWaalsContact CG2-CE2 3.45Å; Y125-V170 CarbonylContact O-C 3.57Å; Y125-V170 WeakPolarHBondContact O-CA 3.36Å; Y125-I171 PolarHBondContact N-O 3.01Å; Y125-I171 PolarHBondContact O-N 3.31Å; Y125-Y173 AromaticContact CD2-CD2 3.96Å; Y125-Y173 HydrophobicContact CD2-CD2 3.96Å; Y125-Y173 AromaticContact CD2-CE2 3.69Å; Y125-Y173 HydrophobicContact CD2-CE2 3.69Å; Y125-Y173 AromaticContact CE2-CD2 3.85Å; Y125-Y173 HydrophobicContact CE2-CD2 3.85Å; Y125-Y173 AromaticContact CE2-CE2 3.69Å; Y125-Y173 HydrophobicContact CE2-CE2 3.69Å
126	V	89.3	Confident	68.5	Low	21 Å²	21	71.1 Å²	71.1	13%	0.127	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.4	168.4	-177.8	0	0	0	0	106.9	L94 L97 T98 L101 V124 I169 V170	L94-V126 HydrophobicContact CD2-CG1 3.94Å; L97-V126 HydrophobicContact CD2-CG1 3.87Å; L97-V126 HydrophobicContact CG-CG1 4.38Å; L97-V126 HydrophobicContact CG-CG2 4.39Å; T98-V126 HydrophobicContact CG2-CG2 4.35Å; T98-V126 WeakPolarHBondContact OG1-CB 3.45Å; T98-V126 WeakPolarHBondContact OG1-CG2 3.38Å; L101-V126 HydrophobicContact CD1-CG2 3.61Å; V124-V126 HydrophobicContact CG1-CG2 4.43Å; V126-I169 WeakPolarHBondContact CA-O 3.26Å; V126-V170 HydrophobicContact CG2-CG1 4.38Å; V126-V170 HydrophobicContact CG2-CG2 4.34Å
127	I	85.8	Confident	68.1	Low	60 Å²	60	72.2 Å²	72.2	31%	0.308	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.2	-177.9	-56.6	169.8	0	0	0	107	T129 I143 L168 I169 I171	I127-T129 HydrophobicContact CG2-CG2 4.19Å; I127-I143 HydrophobicContact CD1-CD1 4.13Å; I127-L168 CarbonylContact O-C 3.56Å; I127-L168 WeakPolarHBondContact O-CA 3.27Å; I127-I169 HydrophobicContact CB-CB 4.35Å; I127-I169 PolarHBondContact N-O 3.23Å; I127-I169 PolarHBondContact O-N 2.54Å; I127-I171 HydrophobicContact CD1-CD1 4.27Å
128	Q	83.3	Confident	68.3	Low	45 Å²	45	78 Å²	78	21%	0.21	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.2	168.7	-176.9	173.7	-21	0	0	109.4	L94 N130 L168	L94-Q128 HydrophobicContact CD1-CB 3.74Å; L94-Q128 HydrophobicContact CD2-CB 4Å; Q128-N130 PolarHBondContact NE2-OD1 2.72Å; Q128-L168 HydrophobicContact CB-CD2 3.6Å; Q128-L168 HydrophobicContact CG-CD2 3.8Å
129	T	77.4	Confident	68.2	Low	28 Å²	28	80.7 Å²	80.7	17%	0.172	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.3	171.3	58.5	0	0	0	0	107.9	I127 I141 G166 Q167 I169	I127-T129 HydrophobicContact CG2-CG2 4.19Å; T129-I141 HydrophobicContact CG2-CD1 3.82Å; T129-I141 HydrophobicContact CG2-CG2 4.32Å; T129-I141 WeakPolarHBondContact OG1-CD1 3.13Å; T129-G166 CarbonylContact O-C 3.6Å; T129-G166 WeakPolarHBondContact O-CA 3.14Å; T129-Q167 PolarHBondContact N-O 2.73Å; T129-Q167 PolarHBondContact O-N 3.19Å; T129-Q167 WeakPolarHBondContact OG1-CB 3.31Å; T129-Q167 PolarHBondContact OG1-O 3.25Å; T129-I169 HydrophobicContact CG2-CD1 3.84Å
130	N	71.1	Confident	67.7	Low	121 Å²	121	82.5 Å²	82.5	65%	0.647	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	123.6	176.3	-66.6	-20.9	0	0	0	108.1	Q128 P132	Q128-N130 PolarHBondContact NE2-OD1 2.72Å; N130-P132 WeakPolarHBondContact O-CD 3.27Å
131	C	59.5	Low	67	Low	62 Å²	62	84.2 Å²	84.2	42%	0.419	49%	0.487	S	S	.	.			trans	-91.4	111.4	167.9	-61.4	0	0	0	0	107	E133	C131-E133 PolarHBondContact O-N 3Å
132	P	52.8	Low	66.2	Low	87 Å²	87	85.2 Å²	85.2	57%	0.565	50%	0.495	S	S	*	.			trans	-59.7	134	176.9	22.7	-30.8	0	0	0	110.1	N130 G134 N135	N130-P132 WeakPolarHBondContact O-CD 3.27Å; P132-G134 PolarHBondContact O-N 3.45Å; P132-N135 PolarHBondContact O-N 3.43Å
133	E	48.9	Very low	65.3	Low	157 Å²	157	87.3 Å²	87.3	73%	0.734	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	121	174.9	-66.4	-175.5	142.9	0	0	109	R83 C131	R83-E133 IonicContact CZ-OE1 3.56Å; R83-E133 IonicContact CZ-OE2 3.53Å; R83-E133 IonicContact NH1-OE1 3.61Å; R83-E133 IonicContact NH1-OE2 2.83Å; R83-E133 PolarHBondContact NH1-OE2 2.87Å; R83-E133 VanDerWaalsContact NH2-CD 3.35Å; R83-E133 IonicContact NH2-OE1 2.66Å; R83-E133 PolarHBondContact NH2-OE1 2.7Å; R83-E133 IonicContact NH2-OE2 3.4Å; R83-E133 PolarHBondContact NH2-OE2 2.64Å; C131-E133 PolarHBondContact O-N 3Å
134	G	46.7	Very low	64.5	Low	70 Å²	70	88.6 Å²	88.6	72%	0.722	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	118	-20.1	179.2	0	0	0	0	0	115.5	P132 S136	P132-G134 PolarHBondContact O-N 3.45Å; G134-S136 PolarHBondContact O-N 3Å
135	N	45.7	Very low	63.5	Low	114 Å²	114	91.2 Å²	91.2	61%	0.61	55%	0.546	S	S	*	.			trans	-101	72.2	173.1	-74	-12.2	0	0	0	110.5	P132 S137	P132-N135 PolarHBondContact O-N 3.43Å; N135-S137 PolarHBondContact O-N 2.66Å
136	S	42.8	Very low	62.6	Low	127 Å²	127	91.5 Å²	91.5	89%	0.888	56%	0.564	S	S	*	*			trans	-81.3	10.2	-179.6	56.5	0	0	0	0	114.6	G134	G134-S136 PolarHBondContact O-N 3Å
137	S	44	Very low	61.5	Low	84 Å²	84	92.7 Å²	92.7	59%	0.587	58%	0.58	S	S	*	*	S	Bend	trans	-126.3	116.7	-178.7	60	0	0	0	0	113.1	N135 S139	N135-S137 PolarHBondContact O-N 2.66Å; S137-S139 PolarHBondContact O-N 2.96Å
138	L	48.3	Very low	60.9	Low	173 Å²	173	98.7 Å²	98.7	91%	0.906	61%	0.612	S	S	*	*			trans	62.6	20.2	141.8	-68.9	157.6	0	0	0	120.2	S140	L138-S140 PolarHBondContact O-N 3.45Å
139	S	51.7	Low	60.5	Low	87 Å²	87	100.3 Å²	100.3	61%	0.608	62%	0.619	S	S	*	*			trans	-72.7	99.4	163	21.5	0	0	0	0	109.1	S137 I141	S137-S139 PolarHBondContact O-N 2.96Å; S139-I141 PolarHBondContact O-N 2.98Å
140	S	60.9	Low	60.2	Low	112 Å²	112	102.8 Å²	102.8	78%	0.783	63%	0.631	S	S	*	*			trans	-69	111.4	172.4	49.9	0	0	0	0	108.9	L138 M142	L138-S140 PolarHBondContact O-N 3.45Å; S140-M142 PolarHBondContact O-N 3.18Å
141	I	64	Low	60.2	Low	68 Å²	68	105.6 Å²	105.6	35%	0.349	63%	0.632	S	S	.	*			trans	-75.1	108	169.6	-67.1	156.6	0	0	0	106.8	T129 S139 I143 Q167 I169	T129-I141 HydrophobicContact CG2-CD1 3.82Å; T129-I141 HydrophobicContact CG2-CG2 4.32Å; T129-I141 WeakPolarHBondContact OG1-CD1 3.13Å; S139-I141 PolarHBondContact O-N 2.98Å; I141-I143 HydrophobicContact CG2-CD1 4.08Å; I141-I143 HydrophobicContact CG2-CG1 3.95Å; I141-Q167 HydrophobicContact CD1-CG 4.42Å; I141-I169 HydrophobicContact CG2-CD1 4.39Å
142	M	67.1	Low	60.6	Low	140 Å²	140	107 Å²	107	69%	0.69	63%	0.632	S	S	*	*			trans	-90.8	120.6	168.7	-177.5	178.4	-83.8	0	0	108.7	F34 S140	F34-M142 HydrophobicContact CD1-CE 4.42Å; F34-M142 HydrophobicContact CE1-CE 4.07Å; S140-M142 PolarHBondContact O-N 3.18Å
143	I	66.1	Low	61.5	Low	71 Å²	71	103 Å²	103	36%	0.364	61%	0.607	S	S	.	*			trans	-110.3	122	169.2	-66.3	163	0	0	0	107.8	I127 I141 I169 I171	I127-I143 HydrophobicContact CD1-CD1 4.13Å; I141-I143 HydrophobicContact CG2-CD1 4.08Å; I141-I143 HydrophobicContact CG2-CG1 3.95Å; I143-I169 HydrophobicContact CD1-CB 3.78Å; I143-I169 HydrophobicContact CD1-CD1 3.64Å; I143-I169 HydrophobicContact CD1-CG1 3.59Å; I143-I169 HydrophobicContact CD1-CG2 3.69Å; I143-I171 HydrophobicContact CG2-CD1 3.99Å
144	A	70.5	Confident	62.8	Low	96 Å²	96	96.9 Å²	96.9	79%	0.793	58%	0.579	S	S	*	*			trans	-110.1	137.9	167.7	0	0	0	0	0	108.3
145	S	68.8	Low	64.3	Low	72 Å²	72	95.1 Å²	95.1	50%	0.503	55%	0.551	S	S	.	*			trans	-138.1	133.7	171.3	178.8	0	0	0	0	108.8	Y173	S145-Y173 WeakPolarHBondContact CB-OH 3.35Å; S145-Y173 PolarHBondContact OG-OH 2.71Å
146	C	70.2	Confident	66	Low	126 Å²	126	94.9 Å²	94.9	85%	0.851	54%	0.542	S	S	*	.			trans	-126.8	150.2	-179.5	59.4	0	0	0	0	109.8
147	G	66.6	Low	67.9	Low	46 Å²	46	90 Å²	90	47%	0.474	51%	0.506	S	S	.	.			trans	-166.9	160.5	176.9	0	0	0	0	0	110.3	F149	G147-F149 VanDerWaalsContact CA-CE2 3.49Å; G147-F149 WeakPolarHBondContact O-CD2 3.47Å; G147-F149 PolarHBondContact O-N 3.19Å
148	L	73	Confident	69.8	Low	187 Å²	187	88.8 Å²	88.8	98%	0.979	50%	0.498	S	S	*	.			trans	-85.1	97.2	171.6	-65.9	175.8	0	0	0	108
149	F	74.5	Confident	71.4	Confident	79 Å²	79	81.8 Å²	81.8	35%	0.346	46%	0.46	S	S	.	.			trans	-112.1	146.2	-178.7	-64.6	-71.3	0	0	0	110.8	G147 R151 D154 Y173	G147-F149 VanDerWaalsContact CA-CE2 3.49Å; G147-F149 WeakPolarHBondContact O-CD2 3.47Å; G147-F149 PolarHBondContact O-N 3.19Å; F149-R151 PolarHBondContact O-N 3.19Å; F149-R151 VanDerWaalsContact O-N 3.15Å; F149-D154 WeakPolarHBondContact CA-OD2 3.3Å; F149-D154 HydrophobicContact CB-CB 3.86Å; F149-D154 HydrophobicContact CD1-CB 4.08Å; F149-D154 HydrophobicContact CG-CB 4.37Å; F149-Y173 AromaticContact CE1-CD1 3.88Å; F149-Y173 HydrophobicContact CE1-CD1 3.88Å; F149-Y173 HydrophobicContact CE1-CG 4.44Å; F149-Y173 HydrophobicContact CE2-CD1 4.08Å; F149-Y173 AromaticContact CE2-CE1 3.99Å; F149-Y173 HydrophobicContact CE2-CE1 3.99Å; F149-Y173 AromaticContact CZ-CD1 3.42Å; F149-Y173 HydrophobicContact CZ-CD1 3.42Å; F149-Y173 VanDerWaalsContact CZ-CD1 3.42Å; F149-Y173 AromaticContact CZ-CE1 3.69Å; F149-Y173 HydrophobicContact CZ-CE1 3.69Å; F149-Y173 HydrophobicContact CZ-CG 4.19Å
150	N	71.5	Confident	72.9	Confident	79 Å²	79	81.4 Å²	81.4	42%	0.422	45%	0.454	S	S	.	.			trans	-72.1	103.8	167.1	-176.5	-21.8	0	0	0	109	E152 T153 D154	N150-E152 PolarHBondContact O-N 2.97Å; N150-E152 WeakPolarHBondContact OD1-CB 3.27Å; N150-E152 PolarHBondContact OD1-N 3.31Å; N150-T153 WeakPolarHBondContact CB-OG1 3.25Å; N150-T153 PolarHBondContact ND2-OG1 3.48Å; N150-T153 PolarHBondContact O-N 3.34Å; N150-D154 PolarHBondContact N-OD2 3.4Å; N150-D154 WeakPolarHBondContact O-CB 3.39Å; N150-D154 PolarHBondContact O-N 2.97Å
151	R	71	Confident	73.8	Confident	180 Å²	180	77.7 Å²	77.7	68%	0.679	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.3	-177	-66.6	-176.1	177	-175.7	-1.4	114.7	F149	F149-R151 PolarHBondContact O-N 3.19Å; F149-R151 VanDerWaalsContact O-N 3.15Å
152	E	67.9	Low	74.4	Confident	91 Å²	91	84.3 Å²	84.3	43%	0.425	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-27.3	-178.5	-54.4	-167.3	158.7	0	0	113.3	L46 N150 Y155	L46-E152 HydrophobicContact CD1-CG 3.72Å; N150-E152 PolarHBondContact O-N 2.97Å; N150-E152 WeakPolarHBondContact OD1-CB 3.27Å; N150-E152 PolarHBondContact OD1-N 3.31Å; E152-Y155 PolarHBondContact O-OH 3.17Å; E152-Y155 VanDerWaalsContact O-OH 3.11Å
153	T	71.4	Confident	74.8	Confident	4 Å²	4	79 Å²	79	3%	0.025	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132	-21.4	-165.7	55.6	0	0	0	0	113.8	Y120 N150 Y155 Y176	Y120-T153 WeakPolarHBondContact CE1-O 3.45Å; N150-T153 WeakPolarHBondContact CB-OG1 3.25Å; N150-T153 PolarHBondContact ND2-OG1 3.48Å; N150-T153 PolarHBondContact O-N 3.34Å; T153-Y155 WeakPolarHBondContact O-CD2 3.49Å; T153-Y155 WeakPolarHBondContact O-CE2 3.16Å; T153-Y176 VanDerWaalsContact CB-CB 3.49Å; T153-Y176 HydrophobicContact CG2-CD1 4.16Å; T153-Y176 HydrophobicContact CG2-CG 4.28Å
154	D	77	Confident	75	Confident	28 Å²	28	80.7 Å²	80.7	15%	0.15	43%	0.43	C	S	.	.			trans	-92.2	140	177.5	-65.1	-17.6	0	0	0	110.6	F149 N150 A174 C175 Y176	F149-D154 WeakPolarHBondContact CA-OD2 3.3Å; F149-D154 HydrophobicContact CB-CB 3.86Å; F149-D154 HydrophobicContact CD1-CB 4.08Å; F149-D154 HydrophobicContact CG-CB 4.37Å; N150-D154 PolarHBondContact N-OD2 3.4Å; N150-D154 WeakPolarHBondContact O-CB 3.39Å; N150-D154 PolarHBondContact O-N 2.97Å; D154-A174 WeakPolarHBondContact CA-O 3.49Å; D154-C175 VanDerWaalsContact OD1-CA 3.25Å; D154-C175 WeakPolarHBondContact OD1-CA 3.46Å; D154-Y176 PolarHBondContact OD1-N 3.37Å
155	Y	77.1	Confident	74.9	Confident	34 Å²	34	78 Å²	78	13%	0.133	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.7	-175.6	-57.2	-71.2	0	0	0	110.9	P48 F54 F56 Y120 E152 T153 Y173 A174	P48-Y155 WeakPolarHBondContact CB-OH 3.02Å; F54-Y155 HydrophobicContact CB-CD2 3.2Å; F54-Y155 HydrophobicContact CB-CE2 3.54Å; F54-Y155 HydrophobicContact CB-CG 3.86Å; F54-Y155 HydrophobicContact CD1-CD2 4.47Å; F54-Y155 HydrophobicContact CD1-CG 4.43Å; F54-Y155 AromaticContact CG-CD2 3.91Å; F54-Y155 HydrophobicContact CG-CD2 3.91Å; F54-Y155 HydrophobicContact CG-CG 4.31Å; F56-Y155 HydrophobicContact CE1-CG 4.5Å; F56-Y155 AromaticContact CE2-CD1 3.8Å; F56-Y155 HydrophobicContact CE2-CD1 3.8Å; F56-Y155 HydrophobicContact CE2-CE1 4.26Å; F56-Y155 HydrophobicContact CE2-CG 4.12Å; F56-Y155 AromaticContact CZ-CD1 3.4Å; F56-Y155 HydrophobicContact CZ-CD1 3.4Å; F56-Y155 VanDerWaalsContact CZ-CD1 3.4Å; F56-Y155 HydrophobicContact CZ-CE1 4.27Å; F56-Y155 AromaticContact CZ-CG 3.65Å; F56-Y155 HydrophobicContact CZ-CG 3.65Å; Y120-Y155 AromaticContact CE1-CD2 3.95Å; Y120-Y155 HydrophobicContact CE1-CD2 3.95Å; Y120-Y155 HydrophobicContact CE1-CE2 4.2Å; Y120-Y155 VanDerWaalsContact OH-CE2 3.31Å; Y120-Y155 WeakPolarHBondContact OH-CE2 3.29Å; E152-Y155 PolarHBondContact O-OH 3.17Å; E152-Y155 VanDerWaalsContact O-OH 3.11Å; T153-Y155 WeakPolarHBondContact O-CD2 3.49Å; T153-Y155 WeakPolarHBondContact O-CE2 3.16Å; Y155-Y173 CarbonylContact O-C 3.52Å; Y155-Y173 WeakPolarHBondContact O-CA 3.35Å; Y155-A174 PolarHBondContact N-O 3.49Å; Y155-A174 PolarHBondContact O-N 3.3Å
156	Y	81.7	Confident	75.2	Confident	108 Å²	108	75 Å²	75	42%	0.424	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.4	168.2	80.5	-82.7	0	0	0	110.9	F43 V172 Y173	F43-Y156 HydrophobicContact CZ-CE1 4.33Å; Y156-V172 CarbonylContact C-O 3.39Å; Y156-V172 VanDerWaalsContact CA-O 3.22Å; Y156-V172 WeakPolarHBondContact CA-O 3.19Å; Y156-Y173 HydrophobicContact CG-CE1 4.27Å
157	L	83.3	Confident	75.7	Confident	25 Å²	25	71 Å²	71	13%	0.131	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	140.8	174.9	176.2	63.5	0	0	0	108.1	C59 K60 M63 I171 V172	C59-L157 HydrophobicContact CB-CD2 4.06Å; K60-L157 HydrophobicContact CB-CD2 3.93Å; M63-L157 HydrophobicContact SD-CD2 3.48Å; M63-L157 WeakPolarHBondContact SD-CD2 3.13Å; M63-L157 HydrophobicContact SD-CG 3.92Å; L157-I171 CarbonylContact O-C 3.5Å; L157-I171 WeakPolarHBondContact O-CA 3.24Å; L157-V172 PolarHBondContact N-O 2.96Å; L157-V172 PolarHBondContact O-N 3.13Å
158	S	83.4	Confident	76.5	Confident	59 Å²	59	68.8 Å²	68.8	41%	0.413	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.7	170.8	60.3	0	0	0	0	111.1	V170	S158-V170 CarbonylContact C-O 3.56Å; S158-V170 WeakPolarHBondContact CA-O 3.45Å
159	E	82.7	Confident	77.2	Confident	26 Å²	26	60.3 Å²	60.3	12%	0.121	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	136.7	170	-66	-72.9	141.2	0	0	108.5	K60 M63 V170	K60-E159 VanDerWaalsContact CD-OE1 3.26Å; K60-E159 WeakPolarHBondContact CD-OE1 2.9Å; K60-E159 WeakPolarHBondContact CE-OE1 3.14Å; K60-E159 WeakPolarHBondContact CG-OE1 3.44Å; K60-E159 IonicContact NZ-OE1 2.65Å; K60-E159 PolarHBondContact NZ-OE1 3.27Å; K60-E159 IonicContact NZ-OE2 3.67Å; M63-E159 HydrophobicContact CE-CB 3.74Å; M63-E159 HydrophobicContact CE-CG 3.6Å; M63-E159 HydrophobicContact SD-CG 4.3Å; E159-V170 PolarHBondContact N-O 3.05Å; E159-V170 PolarHBondContact O-N 3.21Å
160	T	81.9	Confident	77.7	Confident	78 Å²	78	56.5 Å²	56.5	48%	0.479	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.8	174.8	-60.1	0	0	0	0	108.7	Q167 L168 I169	T160-Q167 HydrophobicContact CG2-CB 4.37Å; T160-L168 WeakPolarHBondContact CA-O 3.35Å; T160-I169 HydrophobicContact CG2-CG1 3.96Å
161	I	80.3	Confident	78.5	Confident	35 Å²	35	53.3 Å²	53.3	18%	0.179	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.3	173.7	61.2	155.1	0	0	0	110.1	L67 I71 T163 Q167 L168	L67-I161 HydrophobicContact CB-CD1 3.92Å; L67-I161 HydrophobicContact CD1-CD1 4.3Å; L67-I161 HydrophobicContact CD1-CG1 4.33Å; L67-I161 HydrophobicContact CD1-CG2 3.98Å; L67-I161 HydrophobicContact CD2-CD1 3.73Å; L67-I161 HydrophobicContact CD2-CG1 4.27Å; L67-I161 HydrophobicContact CG-CD1 4.18Å; I71-I161 HydrophobicContact CD1-CD1 3.72Å; I71-I161 HydrophobicContact CG1-CD1 4.18Å; I161-T163 HydrophobicContact CD1-CG2 3.95Å; I161-T163 HydrophobicContact CG1-CG2 4.41Å; I161-Q167 WeakPolarHBondContact O-CA 3.47Å; I161-L168 HydrophobicContact CD1-CB 4.28Å; I161-L168 HydrophobicContact CD1-CD1 4.03Å; I161-L168 HydrophobicContact CG1-CB 3.8Å; I161-L168 HydrophobicContact CG1-CD1 4.46Å; I161-L168 PolarHBondContact N-O 3.44Å; I161-L168 PolarHBondContact O-N 3.05Å
162	R	77	Confident	79.2	Confident	207 Å²	207	44.8 Å²	44.8	78%	0.781	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.3	169.8	-66.3	-176.2	-180	-178.4	-0.2	108.9
163	T	74.1	Confident	80	Confident	29 Å²	29	41.1 Å²	41.1	18%	0.178	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	172.3	172.3	69.7	0	0	0	0	109	I161 F165 G166 L168	I161-T163 HydrophobicContact CD1-CG2 3.95Å; I161-T163 HydrophobicContact CG1-CG2 4.41Å; T163-F165 PolarHBondContact O-N 3.17Å; T163-F165 PolarHBondContact OG1-N 3.48Å; T163-G166 PolarHBondContact N-O 3.48Å; T163-G166 PolarHBondContact O-N 2.95Å; T163-G166 PolarHBondContact OG1-O 3.18Å; T163-L168 HydrophobicContact CG2-CB 4.49Å; T163-L168 HydrophobicContact CG2-CD1 3.56Å; T163-L168 HydrophobicContact CG2-CG 3.71Å
164	I	70.6	Confident	80.5	Confident	106 Å²	106	41 Å²	41	54%	0.544	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.3	175.6	65.4	96.9	0	0	0	112.7	Y79	Y79-I164 HydrophobicContact CD1-CD1 3.91Å; Y79-I164 HydrophobicContact CE1-CD1 3.03Å; Y79-I164 HydrophobicContact CE1-CG1 3.9Å; Y79-I164 HydrophobicContact CE2-CD1 4.36Å; Y79-I164 HydrophobicContact CE2-CG1 4.46Å; Y79-I164 WeakPolarHBondContact OH-CD1 3.36Å; Y79-I164 WeakPolarHBondContact OH-CG1 3.25Å
165	F	69.4	Low	80.7	Confident	38 Å²	38	40.8 Å²	40.8	17%	0.167	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-11.3	175.7	-56.7	-70.9	0	0	0	113.8	Y74 Y79 T163	Y74-F165 AromaticContact CD1-CE2 3.71Å; Y74-F165 HydrophobicContact CD1-CE2 3.71Å; Y74-F165 AromaticContact CD1-CZ 3.83Å; Y74-F165 HydrophobicContact CD1-CZ 3.83Å; Y74-F165 HydrophobicContact CD2-CE2 4.19Å; Y74-F165 HydrophobicContact CE1-CE1 4.48Å; Y74-F165 AromaticContact CE1-CE2 3.31Å; Y74-F165 HydrophobicContact CE1-CE2 3.31Å; Y74-F165 AromaticContact CE1-CZ 3.18Å; Y74-F165 HydrophobicContact CE1-CZ 3.18Å; Y74-F165 AromaticContact CE2-CE2 3.81Å; Y74-F165 HydrophobicContact CE2-CE2 3.81Å; Y74-F165 HydrophobicContact CE2-CZ 4.43Å; Y74-F165 HydrophobicContact CG-CE2 4.08Å; Y74-F165 AromaticContact CZ-CE2 3.29Å; Y74-F165 AromaticContact CZ-CZ 3.49Å; Y74-F165 VanDerWaalsContact CZ-CZ 3.49Å; Y79-F165 HydrophobicContact CE1-CE1 4Å; Y79-F165 HydrophobicContact CE1-CE2 4.3Å; Y79-F165 AromaticContact CE1-CZ 3.54Å; Y79-F165 HydrophobicContact CE1-CZ 3.54Å; Y79-F165 AromaticContact CZ-CZ 3.98Å; Y79-F165 WeakPolarHBondContact OH-CE2 3.44Å; T163-F165 PolarHBondContact O-N 3.17Å; T163-F165 PolarHBondContact OG1-N 3.48Å
166	G	75.2	Confident	80.6	Confident	10 Å²	10	40.9 Å²	40.9	10%	0.103	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.3	-131.3	-173.1	0	0	0	0	0	111.6	T129 T163	T129-G166 CarbonylContact O-C 3.6Å; T129-G166 WeakPolarHBondContact O-CA 3.14Å; T163-G166 PolarHBondContact N-O 3.48Å; T163-G166 PolarHBondContact O-N 2.95Å; T163-G166 PolarHBondContact OG1-O 3.18Å
167	Q	80	Confident	80.3	Confident	41 Å²	41	40 Å²	40	19%	0.192	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.5	177.3	-45.9	-177.1	-6.9	0	0	111.1	T129 I141 T160 I161 I169	T129-Q167 PolarHBondContact N-O 2.73Å; T129-Q167 PolarHBondContact O-N 3.19Å; T129-Q167 WeakPolarHBondContact OG1-CB 3.31Å; T129-Q167 PolarHBondContact OG1-O 3.25Å; I141-Q167 HydrophobicContact CD1-CG 4.42Å; T160-Q167 HydrophobicContact CG2-CB 4.37Å; I161-Q167 WeakPolarHBondContact O-CA 3.47Å; Q167-I169 HydrophobicContact CB-CD1 4.48Å
168	L	83.7	Confident	79.4	Confident	1 Å²	1	46 Å²	46	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.1	165.5	-62.1	175.7	0	0	0	108.9	F70 L94 L97 I127 Q128 T160 I161 T163	F70-L168 HydrophobicContact CD1-CD1 4.03Å; F70-L168 HydrophobicContact CE1-CD1 3.66Å; F70-L168 HydrophobicContact CZ-CD1 4.46Å; L94-L168 HydrophobicContact CD2-CD2 3.84Å; L97-L168 HydrophobicContact CD2-CD1 4.05Å; I127-L168 CarbonylContact O-C 3.56Å; I127-L168 WeakPolarHBondContact O-CA 3.27Å; Q128-L168 HydrophobicContact CB-CD2 3.6Å; Q128-L168 HydrophobicContact CG-CD2 3.8Å; T160-L168 WeakPolarHBondContact CA-O 3.35Å; I161-L168 HydrophobicContact CD1-CB 4.28Å; I161-L168 HydrophobicContact CD1-CD1 4.03Å; I161-L168 HydrophobicContact CG1-CB 3.8Å; I161-L168 HydrophobicContact CG1-CD1 4.46Å; I161-L168 PolarHBondContact N-O 3.44Å; I161-L168 PolarHBondContact O-N 3.05Å; T163-L168 HydrophobicContact CG2-CB 4.49Å; T163-L168 HydrophobicContact CG2-CD1 3.56Å; T163-L168 HydrophobicContact CG2-CG 3.71Å
169	I	86.7	Confident	79.2	Confident	8 Å²	8	45.4 Å²	45.4	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.1	170.1	-55.6	98.2	0	0	0	108.1	V126 I127 T129 I141 I143 T160 Q167 I171	V126-I169 WeakPolarHBondContact CA-O 3.26Å; I127-I169 HydrophobicContact CB-CB 4.35Å; I127-I169 PolarHBondContact N-O 3.23Å; I127-I169 PolarHBondContact O-N 2.54Å; T129-I169 HydrophobicContact CG2-CD1 3.84Å; I141-I169 HydrophobicContact CG2-CD1 4.39Å; I143-I169 HydrophobicContact CD1-CB 3.78Å; I143-I169 HydrophobicContact CD1-CD1 3.64Å; I143-I169 HydrophobicContact CD1-CG1 3.59Å; I143-I169 HydrophobicContact CD1-CG2 3.69Å; T160-I169 HydrophobicContact CG2-CG1 3.96Å; Q167-I169 HydrophobicContact CB-CD1 4.48Å; I169-I171 HydrophobicContact CG2-CD1 4.46Å; I169-I171 HydrophobicContact CG2-CG1 4.06Å
170	V	86.7	Confident	79	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.3	173.9	-173.7	0	0	0	0	108.8	M63 L67 L101 V124 Y125 V126 S158 E159 V172	M63-V170 HydrophobicContact CE-CB 3.79Å; M63-V170 HydrophobicContact CE-CG1 3.63Å; L67-V170 HydrophobicContact CD1-CG2 3.95Å; L67-V170 HydrophobicContact CD2-CG2 3.69Å; L67-V170 HydrophobicContact CG-CG2 4.3Å; L101-V170 HydrophobicContact CD1-CG1 3.59Å; L101-V170 HydrophobicContact CD1-CG2 4.05Å; V124-V170 HydrophobicContact CG1-CG1 4.37Å; Y125-V170 CarbonylContact O-C 3.57Å; Y125-V170 WeakPolarHBondContact O-CA 3.36Å; V126-V170 HydrophobicContact CG2-CG1 4.38Å; V126-V170 HydrophobicContact CG2-CG2 4.34Å; S158-V170 CarbonylContact C-O 3.56Å; S158-V170 WeakPolarHBondContact CA-O 3.45Å; E159-V170 PolarHBondContact N-O 3.05Å; E159-V170 PolarHBondContact O-N 3.21Å; V170-V172 HydrophobicContact CG1-CG2 4.36Å
171	I	87.8	Confident	78.9	Confident	11 Å²	11	44.7 Å²	44.7	6%	0.056	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	127	176	-47.4	175.4	0	0	0	108.3	V124 Y125 I127 I143 L157 I169 Y173	V124-I171 CarbonylContact C-O 3.57Å; V124-I171 WeakPolarHBondContact CA-O 3.35Å; Y125-I171 PolarHBondContact N-O 3.01Å; Y125-I171 PolarHBondContact O-N 3.31Å; I127-I171 HydrophobicContact CD1-CD1 4.27Å; I143-I171 HydrophobicContact CG2-CD1 3.99Å; L157-I171 CarbonylContact O-C 3.5Å; L157-I171 WeakPolarHBondContact O-CA 3.24Å; I169-I171 HydrophobicContact CG2-CD1 4.46Å; I169-I171 HydrophobicContact CG2-CG1 4.06Å; I171-Y173 HydrophobicContact CB-CE2 4.35Å; I171-Y173 HydrophobicContact CG2-CD2 4.16Å; I171-Y173 HydrophobicContact CG2-CE2 3.44Å; I171-Y173 VanDerWaalsContact CG2-CE2 3.44Å
172	V	85	Confident	78.8	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.7	176.2	-178.7	0	0	0	0	108	M63 I123 V124 Y156 L157 V170	M63-V172 HydrophobicContact CE-CG2 4.04Å; M63-V172 HydrophobicContact CG-CG2 4.24Å; M63-V172 HydrophobicContact SD-CB 4.48Å; M63-V172 HydrophobicContact SD-CG2 3.73Å; I123-V172 CarbonylContact O-C 3.58Å; I123-V172 WeakPolarHBondContact O-CA 3.48Å; V124-V172 HydrophobicContact CG1-CG2 4.38Å; V124-V172 HydrophobicContact CG2-CG1 4.44Å; V124-V172 HydrophobicContact CG2-CG2 4.28Å; Y156-V172 CarbonylContact C-O 3.39Å; Y156-V172 VanDerWaalsContact CA-O 3.22Å; Y156-V172 WeakPolarHBondContact CA-O 3.19Å; L157-V172 PolarHBondContact N-O 2.96Å; L157-V172 PolarHBondContact O-N 3.13Å; V170-V172 HydrophobicContact CG1-CG2 4.36Å
173	Y	84.9	Confident	78.9	Confident	14 Å²	14	35.1 Å²	35.1	6%	0.055	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.9	164.8	-59	-89.8	0	0	0	108.9	L122 I123 Y125 S145 F149 Y155 Y156 I171	L122-Y173 CarbonylContact C-O 3.54Å; L122-Y173 VanDerWaalsContact CA-O 3.3Å; L122-Y173 WeakPolarHBondContact CA-O 3.38Å; I123-Y173 HydrophobicContact CB-CD2 4.36Å; I123-Y173 PolarHBondContact N-O 3.19Å; I123-Y173 PolarHBondContact O-N 3.11Å; Y125-Y173 AromaticContact CD2-CD2 3.96Å; Y125-Y173 HydrophobicContact CD2-CD2 3.96Å; Y125-Y173 AromaticContact CD2-CE2 3.69Å; Y125-Y173 HydrophobicContact CD2-CE2 3.69Å; Y125-Y173 AromaticContact CE2-CD2 3.85Å; Y125-Y173 HydrophobicContact CE2-CD2 3.85Å; Y125-Y173 AromaticContact CE2-CE2 3.69Å; Y125-Y173 HydrophobicContact CE2-CE2 3.69Å; S145-Y173 WeakPolarHBondContact CB-OH 3.35Å; S145-Y173 PolarHBondContact OG-OH 2.71Å; F149-Y173 AromaticContact CE1-CD1 3.88Å; F149-Y173 HydrophobicContact CE1-CD1 3.88Å; F149-Y173 HydrophobicContact CE1-CG 4.44Å; F149-Y173 HydrophobicContact CE2-CD1 4.08Å; F149-Y173 AromaticContact CE2-CE1 3.99Å; F149-Y173 HydrophobicContact CE2-CE1 3.99Å; F149-Y173 AromaticContact CZ-CD1 3.42Å; F149-Y173 HydrophobicContact CZ-CD1 3.42Å; F149-Y173 VanDerWaalsContact CZ-CD1 3.42Å; F149-Y173 AromaticContact CZ-CE1 3.69Å; F149-Y173 HydrophobicContact CZ-CE1 3.69Å; F149-Y173 HydrophobicContact CZ-CG 4.19Å; Y155-Y173 CarbonylContact O-C 3.52Å; Y155-Y173 WeakPolarHBondContact O-CA 3.35Å; Y156-Y173 HydrophobicContact CG-CE1 4.27Å; I171-Y173 HydrophobicContact CB-CE2 4.35Å; I171-Y173 HydrophobicContact CG2-CD2 4.16Å; I171-Y173 HydrophobicContact CG2-CE2 3.44Å; I171-Y173 VanDerWaalsContact CG2-CE2 3.44Å
174	A	81.7	Confident	79.2	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	103.7	171.7	0	0	0	0	0	107.4	F54 Y120 L122 D154 Y155	F54-A174 HydrophobicContact CD2-CB 3.56Å; F54-A174 HydrophobicContact CE1-CB 4.46Å; F54-A174 HydrophobicContact CE2-CB 3.27Å; F54-A174 HydrophobicContact CG-CB 4.27Å; F54-A174 HydrophobicContact CZ-CB 3.79Å; Y120-A174 HydrophobicContact CD1-CB 3.68Å; Y120-A174 HydrophobicContact CE1-CB 4.27Å; Y120-A174 HydrophobicContact CG-CB 4.23Å; L122-A174 HydrophobicContact CD2-CB 3.7Å; D154-A174 WeakPolarHBondContact CA-O 3.49Å; Y155-A174 PolarHBondContact N-O 3.49Å; Y155-A174 PolarHBondContact O-N 3.3Å
175	C	81.5	Confident	79.9	Confident	25 Å²	25	30.5 Å²	30.5	17%	0.169	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122	177.5	-56.7	0	0	0	0	108.6	Y120 K121 D154	Y120-C175 CarbonylContact C-O 3.58Å; Y120-C175 VanDerWaalsContact CA-O 3.32Å; Y120-C175 WeakPolarHBondContact CA-O 3.49Å; K121-C175 HydrophobicContact CB-CB 4.4Å; K121-C175 PolarHBondContact N-O 3.03Å; K121-C175 PolarHBondContact O-N 3.42Å; D154-C175 VanDerWaalsContact OD1-CA 3.25Å; D154-C175 WeakPolarHBondContact OD1-CA 3.46Å
176	Y	75.9	Confident	80.7	Confident	35 Å²	35	29.9 Å²	29.9	14%	0.137	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	138.7	-178.4	-172.7	-100.8	0	0	0	111.3	R52 R119 Y120 T153 D154 E178	R52-Y176 HydrophobicContact CB-CE2 3.86Å; R52-Y176 VanDerWaalsContact CD-CZ 3.43Å; R52-Y176 WeakPolarHBondContact CD-OH 3.48Å; R52-Y176 HydrophobicContact CG-CE2 3.94Å; R52-Y176 VanDerWaalsContact CG-OH 3.25Å; R52-Y176 WeakPolarHBondContact CG-OH 2.95Å; R52-Y176 PolarHBondContact NE-OH 2.93Å; R119-Y176 HydrophobicContact CB-CD2 3.74Å; R119-Y176 HydrophobicContact CB-CE2 3.36Å; R119-Y176 VanDerWaalsContact CD-CE2 3.45Å; R119-Y176 WeakPolarHBondContact CD-OH 3.41Å; R119-Y176 HydrophobicContact CG-CE2 4.05Å; R119-Y176 PolarHBondContact NH1-OH 2.99Å; R119-Y176 CarbonylContact O-C 3.49Å; R119-Y176 VanDerWaalsContact O-CA 3.22Å; R119-Y176 WeakPolarHBondContact O-CA 3.41Å; R119-Y176 WeakPolarHBondContact O-CD2 3.27Å; Y120-Y176 HydrophobicContact CD1-CD2 4.39Å; Y120-Y176 AromaticContact CE1-CD2 3.81Å; Y120-Y176 HydrophobicContact CE1-CD2 3.81Å; Y120-Y176 HydrophobicContact CE1-CG 4.37Å; Y120-Y176 HydrophobicContact CE2-CD2 4.08Å; Y120-Y176 AromaticContact CZ-CD2 3.62Å; T153-Y176 VanDerWaalsContact CB-CB 3.49Å; T153-Y176 HydrophobicContact CG2-CD1 4.16Å; T153-Y176 HydrophobicContact CG2-CG 4.28Å; D154-Y176 PolarHBondContact OD1-N 3.37Å; Y176-E178 HydrophobicContact CE1-CG 3.52Å; Y176-E178 VanDerWaalsContact OH-CD 3.31Å; Y176-E178 WeakPolarHBondContact OH-CG 3.13Å; Y176-E178 PolarHBondContact OH-OE1 2.99Å
177	H	74.2	Confident	81.1	Confident	90 Å²	90	31.6 Å²	31.6	42%	0.417	15%	0.15	S	C	.	.			trans	-148.9	110.1	-175.3	-171.4	-78	0	0	0	109.5	R119 K121	R119-H177 CarbonylContact C-O 3.57Å; R119-H177 VanDerWaalsContact CA-O 3.27Å; R119-H177 WeakPolarHBondContact CA-O 3.44Å; R119-H177 WeakPolarHBondContact CB-O 3.32Å; R119-H177 PolarHBondContact O-N 3.27Å; K121-H177 HydrophobicContact CD-CB 4.31Å; K121-H177 WeakPolarHBondContact CE-CD2 3.49Å; K121-H177 VanDerWaalsContact CE-NE2 3.34Å; K121-H177 WeakPolarHBondContact CE-NE2 3.14Å; K121-H177 HydrophobicContact CG-CB 4.08Å; K121-H177 PolarHBondContact NZ-CD2 3.03Å; K121-H177 PolarHBondContact NZ-NE2 2.98Å
178	E	65.4	Low	81.2	Confident	152 Å²	152	30.7 Å²	30.7	71%	0.71	15%	0.146	S	C	*	.			trans	-87.5	0	167.3	-80.4	173.5	175	0	0	111.4	R52 R119 Y176	R52-E178 IonicContact CZ-OE1 3.25Å; R52-E178 VanDerWaalsContact CZ-OE1 3.25Å; R52-E178 IonicContact NE-OE1 3.19Å; R52-E178 PolarHBondContact NE-OE1 2.81Å; R52-E178 IonicContact NH2-OE1 2.73Å; R52-E178 PolarHBondContact NH2-OE1 3.19Å; R52-E178 IonicContact NH2-OE2 3.23Å; R52-E178 PolarHBondContact NH2-OE2 3.04Å; R119-E178 IonicContact CZ-OE1 3.53Å; R119-E178 IonicContact NH1-OE1 2.72Å; R119-E178 PolarHBondContact NH1-OE1 3.5Å; Y176-E178 HydrophobicContact CE1-CG 3.52Å; Y176-E178 VanDerWaalsContact OH-CD 3.31Å; Y176-E178 WeakPolarHBondContact OH-CG 3.13Å; Y176-E178 PolarHBondContact OH-OE1 2.99Å

Retrieved 178 of 178 residues in 102.9 ms (Link to these results)

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