A0A077Z4U0_TRITR Loading...

ER membrane protein complex subunit 3

AlphaFold DB , UniProt , Accession A0A077Z4U0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 243 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	51.3	Low	79.1	Confident	205 Å²	205	105.5 Å²	105.5	100%	1.01	56%	0.558	S	S	*	*				0	101.4	0	-77	-175.1	-112.7	0	0	107.2	E3	M1-E3 PolarHBondContact O-N 2.83Å
2	A	54.9	Low	80.1	Confident	81 Å²	81	102.3 Å²	102.3	67%	0.669	55%	0.547	S	S	*	.			trans	-68.9	119.1	176.8	0	0	0	0	0	108.6	L4	A2-L4 PolarHBondContact O-N 3.45Å
3	E	73.7	Confident	80.9	Confident	172 Å²	172	109.2 Å²	109.2	80%	0.804	56%	0.56	S	S	*	*			trans	-76.5	107.2	167.7	-65.8	-168.6	159.8	0	0	107.1	M1 L5	M1-E3 PolarHBondContact O-N 2.83Å; E3-L5 PolarHBondContact O-N 3.28Å
4	L	77.6	Confident	81.6	Confident	70 Å²	70	102.1 Å²	102.1	37%	0.366	53%	0.525	S	S	.	.			trans	-73.8	127.1	172.2	-79.4	79.2	0	0	0	108	A2 L6 L160 W164	A2-L4 PolarHBondContact O-N 3.45Å; L4-L6 PolarHBondContact O-N 3.42Å; L4-L160 HydrophobicContact CD1-CD1 3.75Å; L4-L160 HydrophobicContact CD2-CD1 4.11Å; L4-W164 HydrophobicContact CB-CH2 3.68Å; L4-W164 HydrophobicContact CB-CZ2 3.82Å; L4-W164 HydrophobicContact CB-CZ3 4.27Å; L4-W164 HydrophobicContact CD1-CH2 4.49Å; L4-W164 HydrophobicContact CD1-CZ2 3.78Å; L4-W164 HydrophobicContact CG-CZ2 4.38Å
5	L	83.3	Confident	82.2	Confident	164 Å²	164	99.1 Å²	99.1	86%	0.859	51%	0.506	S	S	*	.			trans	-77.8	108.6	166.1	-166.9	158.8	0	0	0	107.5	E3	E3-L5 PolarHBondContact O-N 3.28Å
6	L	82.6	Confident	82.8	Confident	55 Å²	55	99.1 Å²	99.1	29%	0.288	51%	0.507	S	S	.	.			trans	-85.3	144.9	174.5	-72.9	166.4	0	0	0	110.1	L4 P8 I10 V135 W164	L4-L6 PolarHBondContact O-N 3.42Å; L6-P8 WeakPolarHBondContact O-CD 3.41Å; L6-I10 HydrophobicContact CD2-CD1 4.28Å; L6-V135 HydrophobicContact CD2-CB 4.23Å; L6-V135 HydrophobicContact CD2-CG1 4.44Å; L6-V135 WeakPolarHBondContact CD2-O 3.24Å; L6-W164 HydrophobicContact CD1-CE3 4.49Å; L6-W164 HydrophobicContact CD1-CZ3 3.73Å; L6-W164 HydrophobicContact CG-CZ3 4.23Å
7	D	88.3	Confident	83.3	Confident	96 Å²	96	96.2 Å²	96.2	51%	0.513	50%	0.496	S	S	.	.			trans	-60.1	123.6	172.4	-177.7	-8.3	0	0	0	110.1	A9 I10	D7-A9 PolarHBondContact O-N 3.49Å; D7-A9 WeakPolarHBondContact OD1-CB 3.29Å; D7-A9 PolarHBondContact OD1-N 3.32Å; D7-I10 HydrophobicContact CB-CD1 4.22Å; D7-I10 HydrophobicContact CB-CG1 4.26Å; D7-I10 WeakPolarHBondContact O-CB 3.33Å; D7-I10 PolarHBondContact O-N 3.31Å
8	P	88.9	Confident	83.8	Confident	83 Å²	83	91 Å²	91	54%	0.539	47%	0.469	S	S	.	.	H	α-helix	trans	-53	-25.3	175.2	-27.1	35.4	0	0	0	114.5	L6 I10 R11	L6-P8 WeakPolarHBondContact O-CD 3.41Å; P8-I10 VanDerWaalsContact C-N 3.29Å; P8-I10 PolarHBondContact O-N 3.21Å; P8-R11 WeakPolarHBondContact O-CB 2.97Å; P8-R11 PolarHBondContact O-N 3.42Å
9	A	90.5	Very high	84.2	Confident	37 Å²	37	88.3 Å²	88.3	31%	0.306	46%	0.457	S	S	.	.	H	α-helix	trans	-63.1	-32.6	176.2	0	0	0	0	0	112.7	D7 R11 T12 W13	D7-A9 PolarHBondContact O-N 3.49Å; D7-A9 WeakPolarHBondContact OD1-CB 3.29Å; D7-A9 PolarHBondContact OD1-N 3.32Å; A9-R11 PolarHBondContact O-N 3.44Å; A9-T12 PolarHBondContact O-N 3.24Å; A9-T12 PolarHBondContact O-OG1 3.03Å; A9-T12 VanDerWaalsContact O-OG1 3.11Å; A9-W13 WeakPolarHBondContact O-CB 3.42Å; A9-W13 VanDerWaalsContact O-CD1 3.3Å; A9-W13 PolarHBondContact O-N 2.96Å
10	I	89.5	Confident	84.6	Confident	32 Å²	32	89.2 Å²	89.2	16%	0.164	46%	0.462	C	S	.	.	H	α-helix	trans	-60.7	-35.6	177.2	-63.4	172.3	0	0	0	110.2	L6 D7 P8 V14 F15 F134	L6-I10 HydrophobicContact CD2-CD1 4.28Å; D7-I10 HydrophobicContact CB-CD1 4.22Å; D7-I10 HydrophobicContact CB-CG1 4.26Å; D7-I10 WeakPolarHBondContact O-CB 3.33Å; D7-I10 PolarHBondContact O-N 3.31Å; P8-I10 VanDerWaalsContact C-N 3.29Å; P8-I10 PolarHBondContact O-N 3.21Å; I10-V14 HydrophobicContact CG2-CB 4.24Å; I10-V14 HydrophobicContact CG2-CG2 4.34Å; I10-V14 WeakPolarHBondContact O-CA 3.48Å; I10-V14 VanDerWaalsContact O-CB 3.29Å; I10-V14 WeakPolarHBondContact O-CB 3.25Å; I10-V14 PolarHBondContact O-N 2.84Å; I10-F15 PolarHBondContact O-N 3.22Å; I10-F15 VanDerWaalsContact O-N 3.09Å; I10-F134 HydrophobicContact CD1-CD2 4.4Å; I10-F134 HydrophobicContact CG2-CD2 4.3Å; I10-F134 HydrophobicContact CG2-CE2 4.18Å
11	R	89.6	Confident	84.9	Confident	165 Å²	165	87.4 Å²	87.4	62%	0.623	45%	0.453	S	S	*	.	I	π-helix	trans	-65.8	-43.7	178	-175.8	179.6	62.8	-172.8	-1.1	112	P8 A9 F15 L16	P8-R11 WeakPolarHBondContact O-CB 2.97Å; P8-R11 PolarHBondContact O-N 3.42Å; A9-R11 PolarHBondContact O-N 3.44Å; R11-F15 WeakPolarHBondContact O-CB 3.44Å; R11-L16 PolarHBondContact O-N 3.41Å
12	T	91.1	Very high	86.8	Confident	68 Å²	68	77.9 Å²	77.9	42%	0.417	41%	0.407	S	S	.	.	I	π-helix	trans	-79.6	-33.7	-176.9	51	0	0	0	0	112.8	A9 P17	A9-T12 PolarHBondContact O-N 3.24Å; A9-T12 PolarHBondContact O-OG1 3.03Å; A9-T12 VanDerWaalsContact O-OG1 3.11Å; T12-P17 VanDerWaalsContact O-CD 3.27Å; T12-P17 WeakPolarHBondContact O-CD 3.32Å; T12-P17 WeakPolarHBondContact O-CG 3.01Å
13	W	91	Very high	88.5	Confident	192 Å²	192	76.9 Å²	76.9	73%	0.727	39%	0.387	S	S	*	.	I	π-helix	trans	-100.3	-17.5	-172.7	-69.1	105.2	0	0	0	115.1	A9 P17	A9-W13 WeakPolarHBondContact O-CB 3.42Å; A9-W13 VanDerWaalsContact O-CD1 3.3Å; A9-W13 PolarHBondContact O-N 2.96Å; W13-P17 WeakPolarHBondContact O-CG 3.35Å
14	V	90	Very high	89.3	Confident	10 Å²	10	73 Å²	73	6%	0.061	37%	0.371	C	S	.	.	I	π-helix	trans	-121.6	-53.7	-179	-171.9	0	0	0	0	111.1	I10 I18 F131 F134 T136	I10-V14 HydrophobicContact CG2-CB 4.24Å; I10-V14 HydrophobicContact CG2-CG2 4.34Å; I10-V14 WeakPolarHBondContact O-CA 3.48Å; I10-V14 VanDerWaalsContact O-CB 3.29Å; I10-V14 WeakPolarHBondContact O-CB 3.25Å; I10-V14 PolarHBondContact O-N 2.84Å; V14-I18 HydrophobicContact CG1-CD1 3.58Å; V14-I18 HydrophobicContact CG1-CG1 4.44Å; V14-I18 WeakPolarHBondContact O-CB 3.49Å; V14-I18 WeakPolarHBondContact O-CD1 3.23Å; V14-I18 WeakPolarHBondContact O-CG1 3.35Å; V14-I18 PolarHBondContact O-N 2.96Å; V14-F131 HydrophobicContact CB-CD1 4.47Å; V14-F131 HydrophobicContact CG1-CB 4.33Å; V14-F131 HydrophobicContact CG1-CD1 3.91Å; V14-F131 HydrophobicContact CG1-CE1 4.31Å; V14-F131 HydrophobicContact CG1-CG 4.01Å; V14-F131 HydrophobicContact CG2-CD1 3.9Å; V14-F131 HydrophobicContact CG2-CE1 3.97Å; V14-F134 HydrophobicContact CB-CE2 4.29Å; V14-F134 HydrophobicContact CB-CZ 4.47Å; V14-F134 HydrophobicContact CG1-CE2 3.93Å; V14-F134 HydrophobicContact CG1-CZ 4.04Å; V14-F134 HydrophobicContact CG2-CE2 3.86Å; V14-F134 HydrophobicContact CG2-CZ 3.75Å; V14-T136 HydrophobicContact CG1-CG2 4.45Å
15	F	90.5	Very high	89.8	Confident	56 Å²	56	72.3 Å²	72.3	25%	0.246	37%	0.368	C	S	.	.	I	π-helix	trans	-63	-54.2	-174.5	-178.9	-85	0	0	0	112.8	I10 R11 V19 W170	I10-F15 PolarHBondContact O-N 3.22Å; I10-F15 VanDerWaalsContact O-N 3.09Å; R11-F15 WeakPolarHBondContact O-CB 3.44Å; F15-V19 VanDerWaalsContact O-CG2 3.23Å; F15-V19 WeakPolarHBondContact O-CG2 3.18Å; F15-V19 PolarHBondContact O-N 3.15Å; F15-W170 HydrophobicContact CD1-CZ2 4.43Å; F15-W170 HydrophobicContact CD2-CD2 4.14Å; F15-W170 AromaticContact CD2-CE2 3.51Å; F15-W170 HydrophobicContact CD2-CH2 4.46Å; F15-W170 AromaticContact CD2-CZ2 3.73Å; F15-W170 HydrophobicContact CD2-CZ2 3.73Å; F15-W170 AromaticContact CD2-NE1 3.55Å; F15-W170 AromaticContact CE1-CZ2 3.86Å; F15-W170 HydrophobicContact CE1-CZ2 3.86Å; F15-W170 AromaticContact CE2-CD2 3.95Å; F15-W170 HydrophobicContact CE2-CD2 3.95Å; F15-W170 AromaticContact CE2-CE2 3.3Å; F15-W170 HydrophobicContact CE2-CE3 4.24Å; F15-W170 AromaticContact CE2-CH2 3.45Å; F15-W170 HydrophobicContact CE2-CH2 3.45Å; F15-W170 VanDerWaalsContact CE2-CH2 3.45Å; F15-W170 AromaticContact CE2-CZ2 3.05Å; F15-W170 HydrophobicContact CE2-CZ2 3.05Å; F15-W170 HydrophobicContact CE2-CZ3 4.01Å; F15-W170 AromaticContact CE2-NE1 3.85Å; F15-W170 HydrophobicContact CG-CZ2 4.38Å; F15-W170 AromaticContact CG-NE1 3.93Å; F15-W170 AromaticContact CZ-CE2 3.84Å; F15-W170 AromaticContact CZ-CH2 3.5Å; F15-W170 HydrophobicContact CZ-CH2 3.5Å; F15-W170 VanDerWaalsContact CZ-CH2 3.5Å; F15-W170 AromaticContact CZ-CZ2 3.12Å; F15-W170 HydrophobicContact CZ-CZ2 3.12Å; F15-W170 HydrophobicContact CZ-CZ3 4.45Å; F15-W170 PolarHBondContact O-NE1 2.94Å
16	L	91.6	Very high	89.9	Confident	99 Å²	99	64.8 Å²	64.8	52%	0.518	33%	0.33	S	S	.	.	H	α-helix	trans	-67.4	-44.3	-180	-70.1	173.7	0	0	0	112.9	R11 I18 V19 L20	R11-L16 PolarHBondContact O-N 3.41Å; L16-I18 VanDerWaalsContact C-N 3.34Å; L16-I18 PolarHBondContact O-N 3.38Å; L16-V19 PolarHBondContact O-N 3.49Å; L16-L20 PolarHBondContact O-N 3.06Å
17	P	91.6	Very high	90.1	Very high	50 Å²	50	63.6 Å²	63.6	33%	0.325	33%	0.325	S	S	.	.	H	α-helix	trans	-63.9	-36.4	178.7	-29.5	41.6	0	0	0	113.3	T12 W13 V19 L20 L21	T12-P17 VanDerWaalsContact O-CD 3.27Å; T12-P17 WeakPolarHBondContact O-CD 3.32Å; T12-P17 WeakPolarHBondContact O-CG 3.01Å; W13-P17 WeakPolarHBondContact O-CG 3.35Å; P17-V19 PolarHBondContact O-N 3.02Å; P17-L20 PolarHBondContact O-N 3.38Å; P17-L21 WeakPolarHBondContact O-CB 3.38Å; P17-L21 PolarHBondContact O-N 3.03Å
18	I	92	Very high	90.1	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.015	33%	0.326	C	S	.	.	H	α-helix	trans	-62.1	-43.9	175.1	-71.4	170.8	0	0	0	110.7	V14 L16 L21 T22 I127 F131	V14-I18 HydrophobicContact CG1-CD1 3.58Å; V14-I18 HydrophobicContact CG1-CG1 4.44Å; V14-I18 WeakPolarHBondContact O-CB 3.49Å; V14-I18 WeakPolarHBondContact O-CD1 3.23Å; V14-I18 WeakPolarHBondContact O-CG1 3.35Å; V14-I18 PolarHBondContact O-N 2.96Å; L16-I18 VanDerWaalsContact C-N 3.34Å; L16-I18 PolarHBondContact O-N 3.38Å; I18-L21 PolarHBondContact O-N 2.99Å; I18-T22 HydrophobicContact CG2-CG2 4.18Å; I18-T22 WeakPolarHBondContact O-CB 3.48Å; I18-T22 WeakPolarHBondContact O-CG2 3.49Å; I18-T22 PolarHBondContact O-N 3.18Å; I18-T22 PolarHBondContact O-OG1 2.84Å; I18-T22 VanDerWaalsContact O-OG1 3.07Å; I18-I127 HydrophobicContact CD1-CG2 4.1Å; I18-F131 HydrophobicContact CD1-CD2 4.29Å; I18-F131 HydrophobicContact CG1-CE2 4.39Å
19	V	92	Very high	89.8	Confident	39 Å²	39	62 Å²	62	24%	0.236	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-43.2	178.6	177	0	0	0	0	111.3	F15 L16 P17 T22 F23 W170 N174	F15-V19 VanDerWaalsContact O-CG2 3.23Å; F15-V19 WeakPolarHBondContact O-CG2 3.18Å; F15-V19 PolarHBondContact O-N 3.15Å; L16-V19 PolarHBondContact O-N 3.49Å; P17-V19 PolarHBondContact O-N 3.02Å; V19-T22 WeakPolarHBondContact CA-OG1 3.25Å; V19-T22 PolarHBondContact O-OG1 2.98Å; V19-F23 VanDerWaalsContact O-CB 3.3Å; V19-F23 WeakPolarHBondContact O-CB 3.15Å; V19-F23 PolarHBondContact O-N 3.41Å; V19-W170 HydrophobicContact CG2-CZ2 3.61Å; V19-N174 WeakPolarHBondContact CG2-OD1 3.47Å
20	L	92.2	Very high	89.4	Confident	106 Å²	106	60.8 Å²	60.8	56%	0.555	30%	0.298	S	S	*	.	H	α-helix	trans	-66.3	-43.4	177.7	-177.3	66.3	0	0	0	111.4	L16 P17 F23 L24	L16-L20 PolarHBondContact O-N 3.06Å; P17-L20 PolarHBondContact O-N 3.38Å; L20-F23 PolarHBondContact O-N 2.89Å; L20-L24 HydrophobicContact CD1-CD1 4.24Å; L20-L24 HydrophobicContact CD1-CG 4.35Å; L20-L24 HydrophobicContact CG-CD1 4.01Å; L20-L24 HydrophobicContact CG-CG 4.46Å; L20-L24 WeakPolarHBondContact O-CB 3.42Å; L20-L24 WeakPolarHBondContact O-CG 3.48Å; L20-L24 PolarHBondContact O-N 3.17Å
21	L	91.6	Very high	89.3	Confident	53 Å²	53	65.3 Å²	65.3	28%	0.277	31%	0.314	S	S	.	.	H	α-helix	trans	-66.3	-43.5	-179.8	-175.2	128.7	0	0	0	111.4	P17 I18 F23 L24 I25 V123 W126 I127	P17-L21 WeakPolarHBondContact O-CB 3.38Å; P17-L21 PolarHBondContact O-N 3.03Å; I18-L21 PolarHBondContact O-N 2.99Å; L21-F23 VanDerWaalsContact C-N 3.32Å; L21-F23 PolarHBondContact O-N 3.41Å; L21-L24 PolarHBondContact O-N 2.74Å; L21-I25 HydrophobicContact CD2-CD1 3.42Å; L21-I25 VanDerWaalsContact CD2-CD1 3.42Å; L21-I25 HydrophobicContact CG-CD1 3.71Å; L21-I25 HydrophobicContact CG-CG1 4.43Å; L21-I25 VanDerWaalsContact O-CB 3.31Å; L21-I25 WeakPolarHBondContact O-CB 3.22Å; L21-I25 WeakPolarHBondContact O-CG1 3.12Å; L21-I25 PolarHBondContact O-N 2.93Å; L21-V123 HydrophobicContact CD2-CG1 3.89Å; L21-W126 HydrophobicContact CD1-CH2 4.18Å; L21-W126 HydrophobicContact CD1-CZ3 3.77Å; L21-W126 HydrophobicContact CD2-CZ3 4.16Å; L21-I127 HydrophobicContact CD2-CD1 4.19Å
22	T	90.1	Very high	89	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-60.9	-44	174.7	56.1	0	0	0	0	111.2	I18 V19 G26 Y171 N174 V175 L178 Y182	I18-T22 HydrophobicContact CG2-CG2 4.18Å; I18-T22 WeakPolarHBondContact O-CB 3.48Å; I18-T22 WeakPolarHBondContact O-CG2 3.49Å; I18-T22 PolarHBondContact O-N 3.18Å; I18-T22 PolarHBondContact O-OG1 2.84Å; I18-T22 VanDerWaalsContact O-OG1 3.07Å; V19-T22 WeakPolarHBondContact CA-OG1 3.25Å; V19-T22 PolarHBondContact O-OG1 2.98Å; T22-G26 PolarHBondContact O-N 3.15Å; T22-Y171 HydrophobicContact CG2-CD2 3.18Å; T22-Y171 HydrophobicContact CG2-CE2 3.42Å; T22-Y171 VanDerWaalsContact CG2-CE2 3.42Å; T22-Y171 HydrophobicContact CG2-CG 4.32Å; T22-N174 HydrophobicContact CG2-CB 4.06Å; T22-V175 HydrophobicContact CG2-CG2 4.44Å; T22-L178 VanDerWaalsContact OG1-CD1 3.24Å; T22-L178 WeakPolarHBondContact OG1-CD1 3.37Å; T22-Y182 PolarHBondContact O-OH 3.35Å
23	F	90.5	Very high	88.4	Confident	60 Å²	60	58.8 Å²	58.8	26%	0.263	29%	0.293	S	S	.	.	H	α-helix	trans	-59.1	-53.7	176.8	-177.9	-102	0	0	0	112.3	V19 L20 L21 I25 G26 V27 L178 Y182 I185	V19-F23 VanDerWaalsContact O-CB 3.3Å; V19-F23 WeakPolarHBondContact O-CB 3.15Å; V19-F23 PolarHBondContact O-N 3.41Å; L20-F23 PolarHBondContact O-N 2.89Å; L21-F23 VanDerWaalsContact C-N 3.32Å; L21-F23 PolarHBondContact O-N 3.41Å; F23-I25 PolarHBondContact O-N 3.49Å; F23-G26 PolarHBondContact O-N 2.83Å; F23-V27 HydrophobicContact CE1-CG2 4.15Å; F23-V27 HydrophobicContact CE2-CG2 4.49Å; F23-V27 HydrophobicContact CZ-CG2 4.11Å; F23-V27 WeakPolarHBondContact O-CG2 3.26Å; F23-V27 PolarHBondContact O-N 3.49Å; F23-V27 VanDerWaalsContact O-N 3.07Å; F23-L178 HydrophobicContact CB-CD1 4.21Å; F23-Y182 VanDerWaalsContact CA-OH 3.24Å; F23-Y182 WeakPolarHBondContact CA-OH 3.17Å; F23-Y182 HydrophobicContact CD2-CD1 4.33Å; F23-Y182 AromaticContact CD2-CE1 3.61Å; F23-Y182 HydrophobicContact CD2-CE1 3.61Å; F23-Y182 HydrophobicContact CE2-CD1 4.2Å; F23-Y182 AromaticContact CE2-CE1 3.9Å; F23-Y182 HydrophobicContact CE2-CE1 3.9Å; F23-Y182 HydrophobicContact CG-CE1 4.42Å; F23-Y182 PolarHBondContact O-OH 3.02Å; F23-I185 HydrophobicContact CE2-CD1 3.67Å; F23-I185 HydrophobicContact CZ-CD1 3.82Å
24	L	90.8	Very high	87.9	Confident	90 Å²	90	53.5 Å²	53.5	47%	0.471	28%	0.279	S	S	.	.	H	α-helix	trans	-63.2	-42.3	-179.2	-70.8	174.7	0	0	0	112.1	L20 L21 G26 V27 V28	L20-L24 HydrophobicContact CD1-CD1 4.24Å; L20-L24 HydrophobicContact CD1-CG 4.35Å; L20-L24 HydrophobicContact CG-CD1 4.01Å; L20-L24 HydrophobicContact CG-CG 4.46Å; L20-L24 WeakPolarHBondContact O-CB 3.42Å; L20-L24 WeakPolarHBondContact O-CG 3.48Å; L20-L24 PolarHBondContact O-N 3.17Å; L21-L24 PolarHBondContact O-N 2.74Å; L24-G26 VanDerWaalsContact C-N 3.3Å; L24-G26 PolarHBondContact O-N 2.76Å; L24-V27 PolarHBondContact O-N 3.46Å; L24-V28 WeakPolarHBondContact O-CG2 3.49Å; L24-V28 PolarHBondContact O-N 3.04Å
25	I	88.5	Confident	87.6	Confident	56 Å²	56	60 Å²	60	29%	0.287	31%	0.313	S	S	.	.	H	α-helix	trans	-63.3	-38.8	176.4	-70.3	171.6	0	0	0	110.7	L21 F23 V27 V28 R29 V123	L21-I25 HydrophobicContact CD2-CD1 3.42Å; L21-I25 VanDerWaalsContact CD2-CD1 3.42Å; L21-I25 HydrophobicContact CG-CD1 3.71Å; L21-I25 HydrophobicContact CG-CG1 4.43Å; L21-I25 VanDerWaalsContact O-CB 3.31Å; L21-I25 WeakPolarHBondContact O-CB 3.22Å; L21-I25 WeakPolarHBondContact O-CG1 3.12Å; L21-I25 PolarHBondContact O-N 2.93Å; F23-I25 PolarHBondContact O-N 3.49Å; I25-V27 VanDerWaalsContact C-N 3.34Å; I25-V27 PolarHBondContact O-N 3.32Å; I25-V28 PolarHBondContact O-N 3.03Å; I25-R29 WeakPolarHBondContact O-CB 3.32Å; I25-R29 PolarHBondContact O-N 3.43Å; I25-V123 HydrophobicContact CD1-CB 4.49Å; I25-V123 HydrophobicContact CD1-CG1 3.82Å; I25-V123 HydrophobicContact CD1-CG2 3.82Å
26	G	85.9	Confident	87.1	Confident	6 Å²	6	62.5 Å²	62.5	6%	0.062	33%	0.327	C	S	.	.	H	α-helix	trans	-59.8	-44	174.7	0	0	0	0	0	112.6	T22 F23 L24 H30	T22-G26 PolarHBondContact O-N 3.15Å; F23-G26 PolarHBondContact O-N 2.83Å; L24-G26 VanDerWaalsContact C-N 3.3Å; L24-G26 PolarHBondContact O-N 2.76Å; G26-H30 PolarHBondContact O-N 2.95Å; G26-H30 VanDerWaalsContact O-N 3.08Å
27	V	86.8	Confident	86.1	Confident	30 Å²	30	61.7 Å²	61.7	18%	0.182	33%	0.33	C	S	.	.	H	α-helix	trans	-66	-48.6	176.6	174.8	0	0	0	0	111.6	F23 L24 I25 R29 H30 Y31 Y182	F23-V27 HydrophobicContact CE1-CG2 4.15Å; F23-V27 HydrophobicContact CE2-CG2 4.49Å; F23-V27 HydrophobicContact CZ-CG2 4.11Å; F23-V27 WeakPolarHBondContact O-CG2 3.26Å; F23-V27 PolarHBondContact O-N 3.49Å; F23-V27 VanDerWaalsContact O-N 3.07Å; L24-V27 PolarHBondContact O-N 3.46Å; I25-V27 VanDerWaalsContact C-N 3.34Å; I25-V27 PolarHBondContact O-N 3.32Å; V27-R29 VanDerWaalsContact C-N 3.32Å; V27-R29 PolarHBondContact O-N 3.44Å; V27-H30 WeakPolarHBondContact O-CB 3.48Å; V27-H30 PolarHBondContact O-N 3.29Å; V27-Y31 HydrophobicContact CG1-CD2 3.86Å; V27-Y31 HydrophobicContact CG1-CE2 3.53Å; V27-Y31 VanDerWaalsContact O-CD2 3.23Å; V27-Y31 WeakPolarHBondContact O-CD2 3.35Å; V27-Y31 PolarHBondContact O-N 3.13Å; V27-Y182 HydrophobicContact CG2-CE1 4.43Å
28	V	88.2	Confident	84.7	Confident	89 Å²	89	63.5 Å²	63.5	54%	0.539	35%	0.35	S	S	.	.	H	α-helix	trans	-59.4	-44.8	177.6	170.7	0	0	0	0	110.6	L24 I25 H30 Y31 V32	L24-V28 WeakPolarHBondContact O-CG2 3.49Å; L24-V28 PolarHBondContact O-N 3.04Å; I25-V28 PolarHBondContact O-N 3.03Å; V28-H30 VanDerWaalsContact C-N 3.31Å; V28-H30 PolarHBondContact O-N 2.96Å; V28-Y31 PolarHBondContact O-N 3.32Å; V28-V32 HydrophobicContact CG1-CG2 4.13Å; V28-V32 VanDerWaalsContact O-CG2 3.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.32Å; V28-V32 PolarHBondContact O-N 3.46Å
29	R	82.7	Confident	83.4	Confident	55 Å²	55	75 Å²	75	21%	0.208	39%	0.393	C	S	.	.	H	α-helix	trans	-58.6	-42.7	177	-176.8	-165.6	67.3	169.6	1.3	111.8	I25 V27 V32 S33	I25-R29 WeakPolarHBondContact O-CB 3.32Å; I25-R29 PolarHBondContact O-N 3.43Å; V27-R29 VanDerWaalsContact C-N 3.32Å; V27-R29 PolarHBondContact O-N 3.44Å; R29-V32 PolarHBondContact O-N 2.87Å; R29-S33 WeakPolarHBondContact O-CB 3.49Å; R29-S33 PolarHBondContact O-N 3.35Å
30	H	82.3	Confident	82.1	Confident	12 Å²	12	78.8 Å²	78.8	6%	0.056	41%	0.406	C	S	.	.	H	α-helix	trans	-57.5	-50.7	176.8	170.9	85.4	0	0	0	111.1	G26 V27 V28 V32 S33 L34 L186 N190	G26-H30 PolarHBondContact O-N 2.95Å; G26-H30 VanDerWaalsContact O-N 3.08Å; V27-H30 WeakPolarHBondContact O-CB 3.48Å; V27-H30 PolarHBondContact O-N 3.29Å; V28-H30 VanDerWaalsContact C-N 3.31Å; V28-H30 PolarHBondContact O-N 2.96Å; H30-V32 PolarHBondContact O-N 3.43Å; H30-S33 WeakPolarHBondContact O-CB 3.18Å; H30-S33 PolarHBondContact O-N 2.96Å; H30-L34 WeakPolarHBondContact NE2-CD1 3.45Å; H30-L34 WeakPolarHBondContact O-CG 3.45Å; H30-L34 PolarHBondContact O-N 3.38Å; H30-L186 HydrophobicContact CB-CD1 3.93Å; H30-N190 PolarHBondContact CE1-OD1 2.85Å; H30-N190 PolarHBondContact ND1-OD1 2.93Å
31	Y	85.7	Confident	80.8	Confident	128 Å²	128	82.9 Å²	82.9	50%	0.502	42%	0.422	S	S	.	.	H	α-helix	trans	-65.6	-38.8	178.4	-70.5	-63.1	0	0	0	113.4	V27 V28 S33 L34 L35	V27-Y31 HydrophobicContact CG1-CD2 3.86Å; V27-Y31 HydrophobicContact CG1-CE2 3.53Å; V27-Y31 VanDerWaalsContact O-CD2 3.23Å; V27-Y31 WeakPolarHBondContact O-CD2 3.35Å; V27-Y31 PolarHBondContact O-N 3.13Å; V28-Y31 PolarHBondContact O-N 3.32Å; Y31-S33 VanDerWaalsContact C-N 3.32Å; Y31-S33 PolarHBondContact O-N 3.39Å; Y31-L34 HydrophobicContact CD1-CD1 4.3Å; Y31-L34 PolarHBondContact O-N 3.3Å; Y31-L35 WeakPolarHBondContact O-CG 3.44Å; Y31-L35 PolarHBondContact O-N 2.9Å
32	V	84.9	Confident	79.8	Confident	67 Å²	67	83.9 Å²	83.9	41%	0.406	43%	0.43	S	S	.	.	H	α-helix	trans	-63	-40.6	174.5	170.8	0	0	0	0	111	V28 R29 H30 L34 L35 I36	V28-V32 HydrophobicContact CG1-CG2 4.13Å; V28-V32 VanDerWaalsContact O-CG2 3.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.32Å; V28-V32 PolarHBondContact O-N 3.46Å; R29-V32 PolarHBondContact O-N 2.87Å; H30-V32 PolarHBondContact O-N 3.43Å; V32-L34 VanDerWaalsContact C-N 3.34Å; V32-L34 PolarHBondContact O-N 2.83Å; V32-L35 PolarHBondContact O-N 3.47Å; V32-I36 HydrophobicContact CG1-CD1 3.57Å; V32-I36 HydrophobicContact CG1-CG1 4.26Å; V32-I36 VanDerWaalsContact O-CG1 3.32Å; V32-I36 WeakPolarHBondContact O-CG1 3.04Å; V32-I36 PolarHBondContact O-N 2.96Å
33	S	78.3	Confident	79.3	Confident	28 Å²	28	88.1 Å²	88.1	20%	0.196	45%	0.453	C	S	.	.	H	α-helix	trans	-62.8	-41.4	176.1	-171.9	0	0	0	0	111.6	R29 H30 Y31 L35 I36 S37	R29-S33 WeakPolarHBondContact O-CB 3.49Å; R29-S33 PolarHBondContact O-N 3.35Å; H30-S33 WeakPolarHBondContact O-CB 3.18Å; H30-S33 PolarHBondContact O-N 2.96Å; Y31-S33 VanDerWaalsContact C-N 3.32Å; Y31-S33 PolarHBondContact O-N 3.39Å; S33-L35 VanDerWaalsContact C-N 3.32Å; S33-L35 PolarHBondContact O-N 3.19Å; S33-I36 PolarHBondContact O-N 2.82Å; S33-S37 VanDerWaalsContact O-CB 3.24Å; S33-S37 WeakPolarHBondContact O-CB 3.42Å; S33-S37 PolarHBondContact O-N 2.99Å; S33-S37 PolarHBondContact O-OG 3.42Å
34	L	80.3	Confident	78.9	Confident	81 Å²	81	91.4 Å²	91.4	42%	0.424	47%	0.473	S	S	.	.	H	α-helix	trans	-62.2	-38.5	174.1	-70.4	175.1	0	0	0	112.4	H30 Y31 V32	H30-L34 WeakPolarHBondContact NE2-CD1 3.45Å; H30-L34 WeakPolarHBondContact O-CG 3.45Å; H30-L34 PolarHBondContact O-N 3.38Å; Y31-L34 HydrophobicContact CD1-CD1 4.3Å; Y31-L34 PolarHBondContact O-N 3.3Å; V32-L34 VanDerWaalsContact C-N 3.34Å; V32-L34 PolarHBondContact O-N 2.83Å
35	L	82.9	Confident	78.4	Confident	148 Å²	148	92.7 Å²	92.7	78%	0.775	48%	0.476	S	S	*	.	H	α-helix	trans	-70.8	-37	177	-70.1	171	0	0	0	113	Y31 V32 S33	Y31-L35 WeakPolarHBondContact O-CG 3.44Å; Y31-L35 PolarHBondContact O-N 2.9Å; V32-L35 PolarHBondContact O-N 3.47Å; S33-L35 VanDerWaalsContact C-N 3.32Å; S33-L35 PolarHBondContact O-N 3.19Å
36	I	79.8	Confident	77.8	Confident	107 Å²	107	94.6 Å²	94.6	55%	0.549	48%	0.484	S	S	.	.	H	α-helix	trans	-79.3	-27.1	-179.4	-67.7	172.5	0	0	0	111.8	V32 S33 A38	V32-I36 HydrophobicContact CG1-CD1 3.57Å; V32-I36 HydrophobicContact CG1-CG1 4.26Å; V32-I36 VanDerWaalsContact O-CG1 3.32Å; V32-I36 WeakPolarHBondContact O-CG1 3.04Å; V32-I36 PolarHBondContact O-N 2.96Å; S33-I36 PolarHBondContact O-N 2.82Å; I36-A38 PolarHBondContact O-N 2.96Å
37	S	71.3	Confident	77.7	Confident	83 Å²	83	97.1 Å²	97.1	58%	0.58	50%	0.498	S	S	*	.			trans	-69.6	69.3	178.2	-62.5	0	0	0	0	110.9	S33	S33-S37 VanDerWaalsContact O-CB 3.24Å; S33-S37 WeakPolarHBondContact O-CB 3.42Å; S33-S37 PolarHBondContact O-N 2.99Å; S33-S37 PolarHBondContact O-OG 3.42Å
38	A	62.3	Low	77.7	Confident	88 Å²	88	100.9 Å²	100.9	73%	0.727	51%	0.514	S	S	*	.			trans	-66.2	136.9	166.8	0	0	0	0	0	108.7	I36 K40	I36-A38 PolarHBondContact O-N 2.96Å; A38-K40 PolarHBondContact O-N 3.04Å
39	R	63.5	Low	77.4	Confident	244 Å²	244	97.7 Å²	97.7	92%	0.921	49%	0.493	S	S	*	.			trans	-58.7	114.4	171.8	-69.5	-176.9	178.8	-156.8	-1	107.7	E41	R39-E41 PolarHBondContact O-N 3.28Å
40	K	65.3	Low	77.5	Confident	119 Å²	119	97.4 Å²	97.4	52%	0.517	50%	0.5	S	S	.	.			trans	-55.7	129.9	173.6	-175.6	168.9	179	166.7	0	108.2	A38 V42 M105 E108	A38-K40 PolarHBondContact O-N 3.04Å; K40-V42 WeakPolarHBondContact O-CG2 3.5Å; K40-V42 PolarHBondContact O-N 3.1Å; K40-M105 PolarHBondContact NZ-SD 3.35Å; K40-E108 IonicContact NZ-OE2 2.63Å; K40-E108 PolarHBondContact NZ-OE2 3.34Å
41	E	66.1	Low	77.8	Confident	191 Å²	191	102.1 Å²	102.1	89%	0.893	52%	0.522	S	S	*	.			trans	-64.2	107.1	169.6	-66.5	-173	168.6	0	0	107.2	R39	R39-E41 PolarHBondContact O-N 3.28Å
42	V	69.4	Low	77.9	Confident	74 Å²	74	97.1 Å²	97.1	45%	0.448	51%	0.505	S	S	.	.			trans	-90.5	133	175.9	-170.9	0	0	0	0	107.4	K40 L44 Q46 V47	K40-V42 WeakPolarHBondContact O-CG2 3.5Å; K40-V42 PolarHBondContact O-N 3.1Å; V42-L44 PolarHBondContact O-N 3.4Å; V42-Q46 HydrophobicContact CG1-CB 4.17Å; V42-Q46 HydrophobicContact CG1-CG 4.35Å; V42-V47 HydrophobicContact CB-CG2 3.82Å; V42-V47 HydrophobicContact CG1-CG2 3.5Å; V42-V47 VanDerWaalsContact CG1-CG2 3.5Å
43	D	79.2	Confident	78.1	Confident	95 Å²	95	95.4 Å²	95.4	51%	0.508	49%	0.493	S	S	.	.			trans	-58.9	134.9	174	-177.9	20	0	0	0	110.3	Q45 Q46 V47	D43-Q45 PolarHBondContact O-N 3.26Å; D43-Q46 HydrophobicContact CB-CB 4.43Å; D43-Q46 WeakPolarHBondContact O-CB 3.42Å; D43-Q46 PolarHBondContact O-N 3.09Å; D43-V47 PolarHBondContact O-N 3.45Å; D43-V47 VanDerWaalsContact O-N 3.11Å
44	L	82.8	Confident	78.6	Confident	129 Å²	129	97.7 Å²	97.7	68%	0.675	50%	0.502	S	S	*	.	H	α-helix	trans	-57	-35.2	-178.4	-73.4	171.6	0	0	0	111.3	V42 V47 Q48	V42-L44 PolarHBondContact O-N 3.4Å; L44-V47 PolarHBondContact O-N 3.3Å; L44-Q48 WeakPolarHBondContact O-CB 3.37Å; L44-Q48 VanDerWaalsContact O-CG 3.26Å; L44-Q48 WeakPolarHBondContact O-CG 3.42Å; L44-Q48 PolarHBondContact O-N 3.12Å
45	Q	79.6	Confident	79.1	Confident	117 Å²	117	100.6 Å²	100.6	55%	0.547	51%	0.508	S	S	.	.	H	α-helix	trans	-64.8	-43.8	177.7	-61	-170.9	2.1	0	0	111.6	D43 V47 Q48 D49	D43-Q45 PolarHBondContact O-N 3.26Å; Q45-V47 VanDerWaalsContact C-N 3.35Å; Q45-V47 PolarHBondContact O-N 3.15Å; Q45-Q48 PolarHBondContact O-N 3.34Å; Q45-D49 WeakPolarHBondContact O-CB 3.28Å; Q45-D49 PolarHBondContact O-N 3.32Å
46	Q	77.5	Confident	79.4	Confident	96 Å²	96	93.6 Å²	93.6	45%	0.449	47%	0.471	S	S	.	.	H	α-helix	trans	-63.8	-40.4	178	-171.4	178.8	12.1	0	0	111.7	V42 D43 D49 S50	V42-Q46 HydrophobicContact CG1-CB 4.17Å; V42-Q46 HydrophobicContact CG1-CG 4.35Å; D43-Q46 HydrophobicContact CB-CB 4.43Å; D43-Q46 WeakPolarHBondContact O-CB 3.42Å; D43-Q46 PolarHBondContact O-N 3.09Å; Q46-D49 PolarHBondContact O-N 3.27Å; Q46-S50 WeakPolarHBondContact O-CB 3.1Å; Q46-S50 PolarHBondContact O-N 3.4Å; Q46-S50 PolarHBondContact O-OG 3.34Å
47	V	84	Confident	79.8	Confident	58 Å²	58	94.3 Å²	94.3	35%	0.352	47%	0.467	S	S	.	.	H	α-helix	trans	-63.4	-47.1	174.4	-179.7	0	0	0	0	110.7	V42 D43 L44 Q45 D49 S50 Q51	V42-V47 HydrophobicContact CB-CG2 3.82Å; V42-V47 HydrophobicContact CG1-CG2 3.5Å; V42-V47 VanDerWaalsContact CG1-CG2 3.5Å; D43-V47 PolarHBondContact O-N 3.45Å; D43-V47 VanDerWaalsContact O-N 3.11Å; L44-V47 PolarHBondContact O-N 3.3Å; Q45-V47 VanDerWaalsContact C-N 3.35Å; Q45-V47 PolarHBondContact O-N 3.15Å; V47-D49 VanDerWaalsContact C-N 3.33Å; V47-D49 PolarHBondContact O-N 3.46Å; V47-S50 PolarHBondContact O-N 2.96Å; V47-S50 PolarHBondContact O-OG 3.43Å; V47-Q51 HydrophobicContact CG1-CG 4.38Å; V47-Q51 WeakPolarHBondContact O-CB 3.49Å; V47-Q51 VanDerWaalsContact O-CG 3.3Å; V47-Q51 WeakPolarHBondContact O-CG 3.47Å; V47-Q51 PolarHBondContact O-N 3.11Å
48	Q	85.7	Confident	80.7	Confident	110 Å²	110	94.4 Å²	94.4	51%	0.514	46%	0.46	S	S	.	.	H	α-helix	trans	-58.2	-45.9	177.2	-73.9	175.2	21.5	0	0	111.8	L44 Q45 Q51 V52	L44-Q48 WeakPolarHBondContact O-CB 3.37Å; L44-Q48 VanDerWaalsContact O-CG 3.26Å; L44-Q48 WeakPolarHBondContact O-CG 3.42Å; L44-Q48 PolarHBondContact O-N 3.12Å; Q45-Q48 PolarHBondContact O-N 3.34Å; Q48-Q51 PolarHBondContact O-N 3.06Å; Q48-V52 VanDerWaalsContact O-CG2 3.32Å; Q48-V52 WeakPolarHBondContact O-CG2 3.49Å; Q48-V52 PolarHBondContact O-N 2.89Å
49	D	82.9	Confident	82.1	Confident	21 Å²	21	91 Å²	91	11%	0.112	43%	0.43	C	S	.	.	H	α-helix	trans	-65.6	-42.4	-178.4	-80.3	-7.9	0	0	0	112.2	Q45 Q46 V47 V52 L53 Y85 R92 F217	Q45-D49 WeakPolarHBondContact O-CB 3.28Å; Q45-D49 PolarHBondContact O-N 3.32Å; Q46-D49 PolarHBondContact O-N 3.27Å; V47-D49 VanDerWaalsContact C-N 3.33Å; V47-D49 PolarHBondContact O-N 3.46Å; D49-V52 PolarHBondContact O-N 2.97Å; D49-L53 WeakPolarHBondContact O-CG 3.23Å; D49-L53 PolarHBondContact O-N 3.02Å; D49-Y85 PolarHBondContact OD1-OH 2.77Å; D49-R92 IonicContact OD1-CZ 3.98Å; D49-R92 IonicContact OD1-NH1 2.76Å; D49-R92 PolarHBondContact OD1-NH1 3.45Å; D49-R92 IonicContact OD2-NH1 3.17Å; D49-R92 PolarHBondContact OD2-NH1 3.02Å; D49-F217 HydrophobicContact CB-CE2 4.35Å; D49-F217 HydrophobicContact CB-CZ 3.66Å
50	S	83.6	Confident	83.3	Confident	50 Å²	50	82.7 Å²	82.7	35%	0.35	40%	0.399	S	S	.	.	H	α-helix	trans	-61.6	-43.1	172.6	67.8	0	0	0	0	112.9	Q46 V47 V52 L53 I54	Q46-S50 WeakPolarHBondContact O-CB 3.1Å; Q46-S50 PolarHBondContact O-N 3.4Å; Q46-S50 PolarHBondContact O-OG 3.34Å; V47-S50 PolarHBondContact O-N 2.96Å; V47-S50 PolarHBondContact O-OG 3.43Å; S50-V52 VanDerWaalsContact C-N 3.33Å; S50-V52 PolarHBondContact O-N 3Å; S50-L53 PolarHBondContact O-N 3.28Å; S50-I54 WeakPolarHBondContact O-CG1 3.34Å; S50-I54 PolarHBondContact O-N 3.34Å
51	Q	89.2	Confident	84.4	Confident	110 Å²	110	81.7 Å²	81.7	51%	0.514	40%	0.396	S	S	.	.	H	α-helix	trans	-65.9	-36.3	178	-71.4	-63.7	-24.9	0	0	111.9	V47 Q48 I54 R55	V47-Q51 HydrophobicContact CG1-CG 4.38Å; V47-Q51 WeakPolarHBondContact O-CB 3.49Å; V47-Q51 VanDerWaalsContact O-CG 3.3Å; V47-Q51 WeakPolarHBondContact O-CG 3.47Å; V47-Q51 PolarHBondContact O-N 3.11Å; Q48-Q51 PolarHBondContact O-N 3.06Å; Q51-I54 PolarHBondContact O-N 3.41Å; Q51-R55 WeakPolarHBondContact O-CB 3.3Å; Q51-R55 PolarHBondContact O-N 3.46Å
52	V	88	Confident	85.6	Confident	24 Å²	24	76.2 Å²	76.2	15%	0.145	37%	0.373	C	S	.	.	H	α-helix	trans	-66.9	-41.3	174.9	172.1	0	0	0	0	111.5	Q48 D49 S50 R55 S56 F78 Y85	Q48-V52 VanDerWaalsContact O-CG2 3.32Å; Q48-V52 WeakPolarHBondContact O-CG2 3.49Å; Q48-V52 PolarHBondContact O-N 2.89Å; D49-V52 PolarHBondContact O-N 2.97Å; S50-V52 VanDerWaalsContact C-N 3.33Å; S50-V52 PolarHBondContact O-N 3Å; V52-R55 WeakPolarHBondContact O-CB 3.5Å; V52-R55 PolarHBondContact O-N 3.25Å; V52-S56 PolarHBondContact O-N 2.78Å; V52-F78 HydrophobicContact CG1-CE1 3.87Å; V52-Y85 HydrophobicContact CB-CD1 4.39Å; V52-Y85 HydrophobicContact CB-CE1 3.9Å; V52-Y85 HydrophobicContact CG1-CD1 3.52Å; V52-Y85 HydrophobicContact CG1-CE1 3.54Å; V52-Y85 HydrophobicContact CG1-CG 4.39Å; V52-Y85 HydrophobicContact CG2-CD1 4.46Å; V52-Y85 HydrophobicContact CG2-CE1 3.84Å
53	L	87.7	Confident	86.4	Confident	30 Å²	30	72.8 Å²	72.8	16%	0.157	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-45.5	173.5	-72.9	169.7	0	0	0	111.6	D49 S50 R55 S56 R57 A216 F217 E220	D49-L53 WeakPolarHBondContact O-CG 3.23Å; D49-L53 PolarHBondContact O-N 3.02Å; S50-L53 PolarHBondContact O-N 3.28Å; L53-R55 VanDerWaalsContact C-N 3.32Å; L53-R55 PolarHBondContact O-N 3.43Å; L53-S56 WeakPolarHBondContact O-CB 3.43Å; L53-S56 PolarHBondContact O-N 2.97Å; L53-R57 PolarHBondContact O-N 3.02Å; L53-A216 HydrophobicContact CD1-CB 4.01Å; L53-F217 HydrophobicContact CD1-CE1 4.18Å; L53-F217 HydrophobicContact CD1-CZ 4.45Å; L53-F217 HydrophobicContact CD2-CD1 3.47Å; L53-F217 VanDerWaalsContact CD2-CD1 3.47Å; L53-F217 HydrophobicContact CD2-CE1 3.7Å; L53-F217 HydrophobicContact CD2-CG 4.3Å; L53-F217 HydrophobicContact CG-CD1 4Å; L53-F217 HydrophobicContact CG-CE1 3.67Å; L53-F217 HydrophobicContact CG-CZ 4.37Å; L53-E220 HydrophobicContact CD2-CB 4.17Å; L53-E220 HydrophobicContact CD2-CG 3.8Å
54	I	89.8	Confident	86.8	Confident	77 Å²	77	73.7 Å²	73.7	40%	0.395	35%	0.348	S	S	.	.	H	α-helix	trans	-59.7	-44.3	175	-67.2	165.4	0	0	0	110.4	S50 Q51 S56 R57 L58	S50-I54 WeakPolarHBondContact O-CG1 3.34Å; S50-I54 PolarHBondContact O-N 3.34Å; Q51-I54 PolarHBondContact O-N 3.41Å; I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 PolarHBondContact O-N 3.29Å; I54-R57 PolarHBondContact O-N 2.96Å; I54-L58 HydrophobicContact CG2-CD1 3.92Å; I54-L58 HydrophobicContact CG2-CG 4.28Å; I54-L58 WeakPolarHBondContact O-CB 3.32Å; I54-L58 VanDerWaalsContact O-CG 3.32Å; I54-L58 WeakPolarHBondContact O-CG 3.46Å; I54-L58 PolarHBondContact O-N 3.35Å
55	R	90.7	Very high	87.1	Confident	142 Å²	142	73.6 Å²	73.6	54%	0.536	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-40	177.1	-176.2	178.6	176.4	-176.8	-0.9	112.3	Q51 V52 L53 L59 F78	Q51-R55 WeakPolarHBondContact O-CB 3.3Å; Q51-R55 PolarHBondContact O-N 3.46Å; V52-R55 WeakPolarHBondContact O-CB 3.5Å; V52-R55 PolarHBondContact O-N 3.25Å; L53-R55 VanDerWaalsContact C-N 3.32Å; L53-R55 PolarHBondContact O-N 3.43Å; R55-L59 WeakPolarHBondContact O-CB 3.47Å; R55-L59 PolarHBondContact O-N 2.9Å; R55-F78 HydrophobicContact CG-CZ 4.18Å
56	S	88.1	Confident	87.7	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-45.8	174.4	-178	0	0	0	0	111.2	V52 L53 I54 L59 R60	V52-S56 PolarHBondContact O-N 2.78Å; L53-S56 WeakPolarHBondContact O-CB 3.43Å; L53-S56 PolarHBondContact O-N 2.97Å; I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 PolarHBondContact O-N 3.29Å; S56-L59 WeakPolarHBondContact O-CB 3.19Å; S56-L59 PolarHBondContact O-N 3.42Å; S56-R60 PolarHBondContact O-N 2.87Å
57	R	89	Confident	88.3	Confident	122 Å²	122	68.9 Å²	68.9	46%	0.46	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-46.6	176.3	-174.5	180	-59.9	173.7	1.3	112.1	L53 I54 L59 R60 E61 E220	L53-R57 PolarHBondContact O-N 3.02Å; I54-R57 PolarHBondContact O-N 2.96Å; R57-L59 VanDerWaalsContact C-N 3.29Å; R57-L59 PolarHBondContact O-N 3.19Å; R57-R60 WeakPolarHBondContact O-CA 3.31Å; R57-R60 WeakPolarHBondContact O-CB 3.39Å; R57-R60 PolarHBondContact O-N 3.22Å; R57-E61 HydrophobicContact CG-CG 4.44Å; R57-E61 WeakPolarHBondContact CG-OE1 3.29Å; R57-E61 PolarHBondContact O-N 3.44Å; R57-E220 IonicContact NE-OE1 3.15Å; R57-E220 IonicContact NH2-OE1 3.84Å
58	L	90.9	Very high	88.6	Confident	85 Å²	85	72.4 Å²	72.4	45%	0.445	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-37	175.6	-73	172.9	0	0	0	111.9	I54 R60 N62	I54-L58 HydrophobicContact CG2-CD1 3.92Å; I54-L58 HydrophobicContact CG2-CG 4.28Å; I54-L58 WeakPolarHBondContact O-CB 3.32Å; I54-L58 VanDerWaalsContact O-CG 3.32Å; I54-L58 WeakPolarHBondContact O-CG 3.46Å; I54-L58 PolarHBondContact O-N 3.35Å; L58-R60 VanDerWaalsContact C-N 3.32Å; L58-N62 WeakPolarHBondContact O-CA 3.45Å; L58-N62 WeakPolarHBondContact O-CB 3.5Å; L58-N62 PolarHBondContact O-N 2.93Å
59	L	91.2	Very high	88.9	Confident	16 Å²	16	71.3 Å²	71.3	8%	0.084	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-37	173.3	-179.4	65.5	0	0	0	111.6	R55 S56 R57 G63 I66 F71 R74 F78 L224	R55-L59 WeakPolarHBondContact O-CB 3.47Å; R55-L59 PolarHBondContact O-N 2.9Å; S56-L59 WeakPolarHBondContact O-CB 3.19Å; S56-L59 PolarHBondContact O-N 3.42Å; R57-L59 VanDerWaalsContact C-N 3.29Å; R57-L59 PolarHBondContact O-N 3.19Å; L59-G63 WeakPolarHBondContact O-CA 3.32Å; L59-G63 PolarHBondContact O-N 3.28Å; L59-I66 HydrophobicContact CD1-CD1 3.81Å; L59-F71 HydrophobicContact CD1-CD2 3.76Å; L59-F71 HydrophobicContact CD1-CE2 4.05Å; L59-F71 HydrophobicContact CG-CD2 4.23Å; L59-F71 HydrophobicContact CG-CE2 4Å; L59-R74 HydrophobicContact CD1-CB 4.18Å; L59-R74 HydrophobicContact CD2-CB 3.69Å; L59-F78 HydrophobicContact CD2-CD2 3.77Å; L59-F78 HydrophobicContact CD2-CE2 3.81Å; L59-L224 HydrophobicContact CD2-CD1 4.34Å
60	R	88.1	Confident	89.3	Confident	71 Å²	71	71.3 Å²	71.3	27%	0.268	34%	0.343	S	S	.	.	H	α-helix	trans	-72.2	-39.2	177	-174	172.3	58.1	72.4	3.1	112.7	S56 R57 L58 E220 L224 H227	S56-R60 PolarHBondContact O-N 2.87Å; R57-R60 WeakPolarHBondContact O-CA 3.31Å; R57-R60 WeakPolarHBondContact O-CB 3.39Å; R57-R60 PolarHBondContact O-N 3.22Å; L58-R60 VanDerWaalsContact C-N 3.32Å; R60-E220 IonicContact NE-OE2 2.76Å; R60-L224 HydrophobicContact CB-CD1 4.45Å; R60-H227 HydrophobicContact CG-CB 4.22Å; R60-H227 PolarHBondContact O-CE1 3.45Å; R60-H227 PolarHBondContact O-NE2 3.4Å
61	E	88.9	Confident	89.7	Confident	98 Å²	98	69 Å²	69	46%	0.458	33%	0.326	S	S	.	.	H	α-helix	trans	-82	-45.7	-177.5	-70.4	172.7	-174.8	0	0	112.4	R57	R57-E61 HydrophobicContact CG-CG 4.44Å; R57-E61 WeakPolarHBondContact CG-OE1 3.29Å; R57-E61 PolarHBondContact O-N 3.44Å
62	N	90.6	Very high	89.8	Confident	76 Å²	76	67.2 Å²	67.2	41%	0.406	32%	0.32	S	S	.	.	H	α-helix	trans	-108.4	4.8	-173.3	-65.1	-38.4	0	0	0	113.5	L58 R64 Y65	L58-N62 WeakPolarHBondContact O-CA 3.45Å; L58-N62 WeakPolarHBondContact O-CB 3.5Å; L58-N62 PolarHBondContact O-N 2.93Å; N62-R64 PolarHBondContact O-N 2.99Å; N62-Y65 HydrophobicContact CB-CD2 4.4Å; N62-Y65 WeakPolarHBondContact O-CD2 3.41Å; N62-Y65 PolarHBondContact O-N 2.84Å
63	G	87.1	Confident	89.9	Confident	2 Å²	2	72.5 Å²	72.5	2%	0.021	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-61.8	-10.4	177.9	0	0	0	0	0	114.9	L59 Y65 I66 H229	L59-G63 WeakPolarHBondContact O-CA 3.32Å; L59-G63 PolarHBondContact O-N 3.28Å; G63-Y65 VanDerWaalsContact C-N 3.29Å; G63-Y65 PolarHBondContact O-N 3.25Å; G63-I66 WeakPolarHBondContact O-CG1 3.32Å; G63-H229 PolarHBondContact O-CE1 3.04Å; G63-H229 PolarHBondContact O-ND1 2.87Å
64	R	88.1	Confident	90.1	Very high	114 Å²	114	76 Å²	76	43%	0.43	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-69.8	-16.4	177.8	63.2	-176.3	-177.5	-168.6	-1.5	115.6	N62 Q230 A232	N62-R64 PolarHBondContact O-N 2.99Å; R64-Q230 VanDerWaalsContact CA-O 3.28Å; R64-Q230 WeakPolarHBondContact CA-O 3.18Å; R64-Q230 WeakPolarHBondContact CB-O 3.3Å; R64-A232 HydrophobicContact CB-CB 4.21Å; R64-A232 HydrophobicContact CG-CB 4.21Å; R64-A232 PolarHBondContact O-N 3.34Å; R64-A232 VanDerWaalsContact O-N 3.09Å
65	Y	89.5	Confident	90	Very high	127 Å²	127	76.1 Å²	76.1	50%	0.498	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-94.9	-10.8	-177.5	-60.1	-74	0	0	0	114	N62 G63 A232	N62-Y65 HydrophobicContact CB-CD2 4.4Å; N62-Y65 WeakPolarHBondContact O-CD2 3.41Å; N62-Y65 PolarHBondContact O-N 2.84Å; G63-Y65 VanDerWaalsContact C-N 3.29Å; G63-Y65 PolarHBondContact O-N 3.25Å; Y65-A232 HydrophobicContact CD1-CB 4.39Å; Y65-A232 HydrophobicContact CE1-CB 4.34Å
66	I	91.4	Very high	89.9	Confident	47 Å²	47	75.5 Å²	75.5	24%	0.241	35%	0.354	C	S	.	.	S	Bend	trans	-105.2	146.1	-176.7	53.5	164.5	0	0	0	112	L59 G63 F71 H229 W231	L59-I66 HydrophobicContact CD1-CD1 3.81Å; G63-I66 WeakPolarHBondContact O-CG1 3.32Å; I66-F71 HydrophobicContact CD1-CB 4Å; I66-F71 HydrophobicContact CD1-CD2 4.41Å; I66-F71 HydrophobicContact CG1-CB 4.23Å; I66-H229 PolarHBondContact O-CE1 3.22Å; I66-H229 PolarHBondContact O-NE2 2.87Å; I66-W231 WeakPolarHBondContact O-CZ3 3.41Å
67	P	90.8	Very high	89.9	Confident	67 Å²	67	81 Å²	81	44%	0.435	38%	0.378	S	S	.	.			trans	-34.4	132.1	176	-34.9	38.1	0	0	0	113.7	S69 A70 F71 W231	P67-S69 PolarHBondContact O-N 3.33Å; P67-S69 VanDerWaalsContact O-N 3.15Å; P67-A70 HydrophobicContact CB-CB 3.78Å; P67-A70 HydrophobicContact CG-CB 4.39Å; P67-A70 CarbonylContact O-C 3.59Å; P67-A70 WeakPolarHBondContact O-CA 3.4Å; P67-A70 VanDerWaalsContact O-CB 3.29Å; P67-A70 WeakPolarHBondContact O-CB 2.92Å; P67-A70 PolarHBondContact O-N 2.95Å; P67-F71 PolarHBondContact O-N 3.12Å; P67-W231 VanDerWaalsContact C-CZ3 3.45Å; P67-W231 HydrophobicContact CB-CH2 4.25Å; P67-W231 HydrophobicContact CB-CZ3 4.3Å; P67-W231 HydrophobicContact CG-CH2 4.05Å; P67-W231 VanDerWaalsContact N-CH2 3.27Å
68	K	90.1	Very high	89.9	Confident	131 Å²	131	75.4 Å²	75.4	57%	0.57	36%	0.357	S	S	*	.	H	α-helix	trans	-53.7	-40.2	-179.8	-179.5	178.7	177.4	-177.8	0	110.9	F71 I72	K68-F71 PolarHBondContact O-N 3.28Å; K68-I72 HydrophobicContact CD-CD1 4.5Å; K68-I72 HydrophobicContact CG-CD1 3.86Å; K68-I72 HydrophobicContact CG-CG1 4.49Å; K68-I72 VanDerWaalsContact O-CG1 3.25Å; K68-I72 WeakPolarHBondContact O-CG1 3.25Å; K68-I72 PolarHBondContact O-N 3.13Å
69	S	91.6	Very high	89.7	Confident	87 Å²	87	72 Å²	72	61%	0.608	34%	0.34	S	S	*	.	H	α-helix	trans	-58.6	-45.7	172.5	51.8	0	0	0	0	112.5	P67 I72 M73	P67-S69 PolarHBondContact O-N 3.33Å; P67-S69 VanDerWaalsContact O-N 3.15Å; S69-I72 PolarHBondContact O-N 3Å; S69-M73 WeakPolarHBondContact O-CB 3.43Å; S69-M73 PolarHBondContact O-N 3.48Å
70	A	91.4	Very high	89.3	Confident	21 Å²	21	73 Å²	73	17%	0.174	35%	0.348	C	S	.	.	H	α-helix	trans	-67.8	-33.9	179	0	0	0	0	0	112.9	P67 R74	P67-A70 HydrophobicContact CB-CB 3.78Å; P67-A70 HydrophobicContact CG-CB 4.39Å; P67-A70 CarbonylContact O-C 3.59Å; P67-A70 WeakPolarHBondContact O-CA 3.4Å; P67-A70 VanDerWaalsContact O-CB 3.29Å; P67-A70 WeakPolarHBondContact O-CB 2.92Å; P67-A70 PolarHBondContact O-N 2.95Å; A70-R74 WeakPolarHBondContact O-CG 3.26Å; A70-R74 PolarHBondContact O-N 2.91Å; A70-R74 PolarHBondContact O-NH1 3.03Å
71	F	91.7	Very high	88.6	Confident	1 Å²	1	74.5 Å²	74.5	0%	0.004	36%	0.361	C	S	.	.	H	α-helix	trans	-67.6	-49.3	171.6	176.3	-90.4	0	0	0	111.1	L59 I66 P67 K68 M73 R74 R75 H227 H229	L59-F71 HydrophobicContact CD1-CD2 3.76Å; L59-F71 HydrophobicContact CD1-CE2 4.05Å; L59-F71 HydrophobicContact CG-CD2 4.23Å; L59-F71 HydrophobicContact CG-CE2 4Å; I66-F71 HydrophobicContact CD1-CB 4Å; I66-F71 HydrophobicContact CD1-CD2 4.41Å; I66-F71 HydrophobicContact CG1-CB 4.23Å; P67-F71 PolarHBondContact O-N 3.12Å; K68-F71 PolarHBondContact O-N 3.28Å; F71-M73 VanDerWaalsContact C-N 3.34Å; F71-M73 PolarHBondContact O-N 3.27Å; F71-R74 PolarHBondContact O-N 3.43Å; F71-R75 HydrophobicContact CE1-CB 4.35Å; F71-R75 WeakPolarHBondContact O-CB 3.41Å; F71-R75 PolarHBondContact O-N 3.48Å; F71-H227 AromaticContact CZ-CD2 3.74Å; F71-H229 HydrophobicContact CB-CB 4.49Å; F71-H229 HydrophobicContact CD1-CB 3.53Å; F71-H229 AromaticContact CD1-CG 3.99Å; F71-H229 AromaticContact CD2-ND1 3.86Å; F71-H229 HydrophobicContact CE1-CB 3.87Å; F71-H229 HydrophobicContact CG-CB 3.99Å; F71-H229 AromaticContact CG-CG 3.95Å; F71-H229 AromaticContact CG-ND1 3.5Å; F71-H229 WeakPolarHBondContact CG-ND1 3.36Å
72	I	90.6	Very high	87.7	Confident	74 Å²	74	77.4 Å²	77.4	38%	0.379	38%	0.375	S	S	.	.	H	α-helix	trans	-60.7	-43.4	-179.6	-68.7	166.9	0	0	0	111	K68 S69 R74 R75 Q76	K68-I72 HydrophobicContact CD-CD1 4.5Å; K68-I72 HydrophobicContact CG-CD1 3.86Å; K68-I72 HydrophobicContact CG-CG1 4.49Å; K68-I72 VanDerWaalsContact O-CG1 3.25Å; K68-I72 WeakPolarHBondContact O-CG1 3.25Å; K68-I72 PolarHBondContact O-N 3.13Å; S69-I72 PolarHBondContact O-N 3Å; I72-R74 VanDerWaalsContact C-N 3.34Å; I72-R74 PolarHBondContact O-N 3.32Å; I72-R75 WeakPolarHBondContact O-CB 3.5Å; I72-R75 PolarHBondContact O-N 2.96Å; I72-Q76 WeakPolarHBondContact O-CB 3.34Å; I72-Q76 PolarHBondContact O-N 2.92Å
73	M	90.5	Very high	87	Confident	134 Å²	134	79.6 Å²	79.6	66%	0.66	39%	0.387	S	S	*	.	H	α-helix	trans	-59.5	-43.4	177.1	-175.8	-176.1	-74.3	0	0	112	S69 F71 Q76 F77	S69-M73 WeakPolarHBondContact O-CB 3.43Å; S69-M73 PolarHBondContact O-N 3.48Å; F71-M73 VanDerWaalsContact C-N 3.34Å; F71-M73 PolarHBondContact O-N 3.27Å; M73-Q76 PolarHBondContact O-N 2.88Å; M73-F77 PolarHBondContact O-N 3.02Å
74	R	91.2	Very high	86.5	Confident	104 Å²	104	79.5 Å²	79.5	39%	0.392	39%	0.386	S	S	.	.	H	α-helix	trans	-69.3	-38.9	175.9	-71.4	171.6	176.5	72.9	-2.2	112.1	L59 A70 F71 I72 Q76 F77 F78	L59-R74 HydrophobicContact CD1-CB 4.18Å; L59-R74 HydrophobicContact CD2-CB 3.69Å; A70-R74 WeakPolarHBondContact O-CG 3.26Å; A70-R74 PolarHBondContact O-N 2.91Å; A70-R74 PolarHBondContact O-NH1 3.03Å; F71-R74 PolarHBondContact O-N 3.43Å; I72-R74 VanDerWaalsContact C-N 3.34Å; I72-R74 PolarHBondContact O-N 3.32Å; R74-Q76 VanDerWaalsContact C-N 3.31Å; R74-Q76 PolarHBondContact O-N 3.32Å; R74-F77 WeakPolarHBondContact O-CB 3.33Å; R74-F77 PolarHBondContact O-N 3.44Å; R74-F78 WeakPolarHBondContact O-CD2 3.46Å; R74-F78 PolarHBondContact O-N 2.99Å; R74-F78 VanDerWaalsContact O-N 3.13Å
75	R	88.6	Confident	86.1	Confident	80 Å²	80	76.3 Å²	76.3	30%	0.302	37%	0.374	S	S	.	.	H	α-helix	trans	-59.9	-43.9	174.2	-167.1	-179.6	88.2	172.2	6.8	110.7	F71 I72 F78 N79 L224 H227	F71-R75 HydrophobicContact CE1-CB 4.35Å; F71-R75 WeakPolarHBondContact O-CB 3.41Å; F71-R75 PolarHBondContact O-N 3.48Å; I72-R75 WeakPolarHBondContact O-CB 3.5Å; I72-R75 PolarHBondContact O-N 2.96Å; R75-F78 PolarHBondContact O-N 3.22Å; R75-N79 WeakPolarHBondContact O-CB 3.5Å; R75-N79 PolarHBondContact O-N 3.45Å; R75-L224 HydrophobicContact CG-CD2 4.47Å; R75-L224 HydrophobicContact CG-CG 4.14Å; R75-H227 PolarHBondContact NH1-O 3.34Å
76	Q	88.9	Confident	85.6	Confident	129 Å²	129	70.2 Å²	70.2	60%	0.603	35%	0.35	S	S	*	.	H	α-helix	trans	-64.3	-39.6	176.6	-173.1	174.8	-0.2	0	0	111.8	I72 M73 R74 F78 S80	I72-Q76 WeakPolarHBondContact O-CB 3.34Å; I72-Q76 PolarHBondContact O-N 2.92Å; M73-Q76 PolarHBondContact O-N 2.88Å; R74-Q76 VanDerWaalsContact C-N 3.31Å; R74-Q76 PolarHBondContact O-N 3.32Å; Q76-F78 VanDerWaalsContact C-N 3.31Å; Q76-F78 PolarHBondContact O-N 3.03Å; Q76-S80 WeakPolarHBondContact O-CA 3.02Å; Q76-S80 WeakPolarHBondContact O-CB 3.39Å; Q76-S80 PolarHBondContact O-N 2.92Å
77	F	88.7	Confident	84.9	Confident	115 Å²	115	71.2 Å²	71.2	50%	0.504	35%	0.353	S	S	.	.	H	α-helix	trans	-59.5	-38.6	174.5	175.8	-95.9	0	0	0	113	M73 R74 G84 Y85	M73-F77 PolarHBondContact O-N 3.02Å; R74-F77 WeakPolarHBondContact O-CB 3.33Å; R74-F77 PolarHBondContact O-N 3.44Å; F77-G84 WeakPolarHBondContact O-CA 3.23Å; F77-Y85 PolarHBondContact O-N 2.89Å
78	F	88.4	Confident	84.2	Confident	4 Å²	4	71.9 Å²	71.9	2%	0.018	35%	0.352	C	S	.	.	H	α-helix	trans	-81.4	-40.8	178.3	-71.9	-59.5	0	0	0	113.5	V52 R55 L59 R74 R75 Q76 G84 L86 L224	V52-F78 HydrophobicContact CG1-CE1 3.87Å; R55-F78 HydrophobicContact CG-CZ 4.18Å; L59-F78 HydrophobicContact CD2-CD2 3.77Å; L59-F78 HydrophobicContact CD2-CE2 3.81Å; R74-F78 WeakPolarHBondContact O-CD2 3.46Å; R74-F78 PolarHBondContact O-N 2.99Å; R74-F78 VanDerWaalsContact O-N 3.13Å; R75-F78 PolarHBondContact O-N 3.22Å; Q76-F78 VanDerWaalsContact C-N 3.31Å; Q76-F78 PolarHBondContact O-N 3.03Å; F78-G84 CarbonylContact O-C 3.58Å; F78-G84 WeakPolarHBondContact O-CA 3.42Å; F78-L86 HydrophobicContact CB-CD1 3.95Å; F78-L86 HydrophobicContact CB-CG 4.21Å; F78-L86 HydrophobicContact CD1-CG 4.25Å; F78-L86 PolarHBondContact O-N 3.45Å; F78-L224 HydrophobicContact CB-CD2 3.6Å; F78-L224 HydrophobicContact CD2-CD2 4.07Å; F78-L224 HydrophobicContact CG-CD2 4.14Å
79	N	85.9	Confident	83.4	Confident	14 Å²	14	65.8 Å²	65.8	8%	0.075	33%	0.326	C	S	.	.	H	α-helix	trans	-106.4	4.9	-168.3	-70.2	1.1	0	0	0	115.1	R75 D81 W221 Q225	R75-N79 WeakPolarHBondContact O-CB 3.5Å; R75-N79 PolarHBondContact O-N 3.45Å; N79-D81 PolarHBondContact O-N 2.71Å; N79-W221 VanDerWaalsContact OD1-CD1 3.31Å; N79-Q225 HydrophobicContact CB-CG 4.38Å; N79-Q225 VanDerWaalsContact ND2-CG 3.29Å; N79-Q225 WeakPolarHBondContact ND2-CG 3.37Å; N79-Q225 PolarHBondContact ND2-N 3.09Å; N79-Q225 VanDerWaalsContact ND2-N 3.19Å
80	S	82.4	Confident	82.5	Confident	36 Å²	36	63.8 Å²	63.8	25%	0.252	31%	0.307	S	S	.	.			trans	-56.7	136	176.3	173.6	0	0	0	0	111.1	Q76 E82 G84	Q76-S80 WeakPolarHBondContact O-CA 3.02Å; Q76-S80 WeakPolarHBondContact O-CB 3.39Å; Q76-S80 PolarHBondContact O-N 2.92Å; S80-E82 VanDerWaalsContact C-N 3.26Å; S80-E82 PolarHBondContact O-N 3.17Å; S80-G84 WeakPolarHBondContact O-CA 3.48Å; S80-G84 PolarHBondContact O-N 3.05Å
81	D	74.4	Confident	81.2	Confident	103 Å²	103	69.1 Å²	69.1	55%	0.551	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-24.3	-175.8	-73.9	-49	0	0	0	114.1	N79 K87	N79-D81 PolarHBondContact O-N 2.71Å; D81-K87 VanDerWaalsContact O-CD 3.25Å; D81-K87 WeakPolarHBondContact O-CD 3.32Å; D81-K87 WeakPolarHBondContact O-CE 3.24Å; D81-K87 PolarHBondContact O-NZ 2.95Å; D81-K87 IonicContact OD1-NZ 3.79Å
82	E	70	Confident	80	Confident	160 Å²	160	73.7 Å²	73.7	75%	0.748	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-44.4	-178.6	-64.1	-175.7	167.2	0	0	111.9	S80	S80-E82 VanDerWaalsContact C-N 3.26Å; S80-E82 PolarHBondContact O-N 3.17Å
83	N	75.3	Confident	78.1	Confident	122 Å²	122	78.5 Å²	78.5	65%	0.652	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	10.2	-171.3	-66.3	-33	0	0	0	113.7	Y85	N83-Y85 PolarHBondContact O-N 3.32Å
84	G	77.5	Confident	76.3	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	34%	0.344	C	S	.	.			trans	-65.1	124	-178.9	0	0	0	0	0	111.3	F77 F78 S80 L86 K87 L88	F77-G84 WeakPolarHBondContact O-CA 3.23Å; F78-G84 CarbonylContact O-C 3.58Å; F78-G84 WeakPolarHBondContact O-CA 3.42Å; S80-G84 WeakPolarHBondContact O-CA 3.48Å; S80-G84 PolarHBondContact O-N 3.05Å; G84-L86 PolarHBondContact O-N 2.6Å; G84-L86 VanDerWaalsContact O-N 3.15Å; G84-K87 PolarHBondContact O-N 3.32Å; G84-L88 PolarHBondContact O-N 2.75Å
85	Y	80.2	Confident	74.3	Confident	46 Å²	46	75.2 Å²	75.2	18%	0.18	36%	0.364	C	S	.	.	H	α-helix	trans	-54.4	-39.2	-178.6	-173	-80.5	0	0	0	111.7	D49 V52 F77 N83 K87 L88 A89 R92	D49-Y85 PolarHBondContact OD1-OH 2.77Å; V52-Y85 HydrophobicContact CB-CD1 4.39Å; V52-Y85 HydrophobicContact CB-CE1 3.9Å; V52-Y85 HydrophobicContact CG1-CD1 3.52Å; V52-Y85 HydrophobicContact CG1-CE1 3.54Å; V52-Y85 HydrophobicContact CG1-CG 4.39Å; V52-Y85 HydrophobicContact CG2-CD1 4.46Å; V52-Y85 HydrophobicContact CG2-CE1 3.84Å; F77-Y85 PolarHBondContact O-N 2.89Å; N83-Y85 PolarHBondContact O-N 3.32Å; Y85-K87 PolarHBondContact O-N 2.69Å; Y85-L88 PolarHBondContact O-N 3.33Å; Y85-A89 HydrophobicContact CD1-CB 4.28Å; Y85-A89 HydrophobicContact CE1-CB 4.13Å; Y85-A89 WeakPolarHBondContact O-CB 3.47Å; Y85-A89 PolarHBondContact O-N 3.33Å; Y85-R92 PolarHBondContact OH-NH1 2.86Å
86	L	78.9	Confident	72.4	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-66.6	-36.7	-178.9	-61.6	176.8	0	0	0	112.2	F78 G84 Q90 F217 W221	F78-L86 HydrophobicContact CB-CD1 3.95Å; F78-L86 HydrophobicContact CB-CG 4.21Å; F78-L86 HydrophobicContact CD1-CG 4.25Å; F78-L86 PolarHBondContact O-N 3.45Å; G84-L86 PolarHBondContact O-N 2.6Å; G84-L86 VanDerWaalsContact O-N 3.15Å; L86-Q90 VanDerWaalsContact O-CG 3.23Å; L86-Q90 WeakPolarHBondContact O-CG 3.36Å; L86-Q90 PolarHBondContact O-N 3.35Å; L86-F217 HydrophobicContact CD2-CD1 3.7Å; L86-F217 HydrophobicContact CD2-CE1 4.28Å; L86-W221 HydrophobicContact CB-CB 4.27Å; L86-W221 HydrophobicContact CD1-CB 4.05Å
87	K	75.6	Confident	70.2	Confident	68 Å²	68	74.6 Å²	74.6	30%	0.296	37%	0.369	S	S	.	.	H	α-helix	trans	-74.9	-40.2	179.4	-163.9	176	-178.2	178.6	0	111.5	D81 G84 Y85 A89 Q90 Q91	D81-K87 VanDerWaalsContact O-CD 3.25Å; D81-K87 WeakPolarHBondContact O-CD 3.32Å; D81-K87 WeakPolarHBondContact O-CE 3.24Å; D81-K87 PolarHBondContact O-NZ 2.95Å; D81-K87 IonicContact OD1-NZ 3.79Å; G84-K87 PolarHBondContact O-N 3.32Å; Y85-K87 PolarHBondContact O-N 2.69Å; K87-A89 VanDerWaalsContact C-N 3.33Å; K87-Q90 WeakPolarHBondContact O-CB 3.17Å; K87-Q90 PolarHBondContact O-N 2.91Å; K87-Q91 PolarHBondContact O-N 2.7Å
88	L	76.6	Confident	68.1	Low	81 Å²	81	74.6 Å²	74.6	42%	0.424	37%	0.374	S	S	.	.	H	α-helix	trans	-63.9	-39.5	171.7	-68.9	172.2	0	0	0	111.4	G84 Y85 Q91 R92	G84-L88 PolarHBondContact O-N 2.75Å; Y85-L88 PolarHBondContact O-N 3.33Å; L88-Q91 PolarHBondContact O-N 3.22Å; L88-Q91 VanDerWaalsContact O-N 3.15Å; L88-R92 PolarHBondContact O-N 3.48Å
89	A	73.3	Confident	66	Low	3 Å²	3	77.9 Å²	77.9	3%	0.025	40%	0.396	C	S	.	.	H	α-helix	trans	-67.8	-33.9	176.6	0	0	0	0	0	112.5	Y85 K87 Q91 R92 F217	Y85-A89 HydrophobicContact CD1-CB 4.28Å; Y85-A89 HydrophobicContact CE1-CB 4.13Å; Y85-A89 WeakPolarHBondContact O-CB 3.47Å; Y85-A89 PolarHBondContact O-N 3.33Å; K87-A89 VanDerWaalsContact C-N 3.33Å; A89-Q91 PolarHBondContact O-N 3.49Å; A89-R92 WeakPolarHBondContact O-CB 3.07Å; A89-R92 PolarHBondContact O-N 3.01Å; A89-F217 HydrophobicContact CB-CD1 3.98Å; A89-F217 HydrophobicContact CB-CD2 3.75Å; A89-F217 HydrophobicContact CB-CE1 3.85Å; A89-F217 HydrophobicContact CB-CE2 3.63Å; A89-F217 HydrophobicContact CB-CG 3.95Å; A89-F217 HydrophobicContact CB-CZ 3.66Å
90	Q	71.8	Confident	64.3	Low	44 Å²	44	85.7 Å²	85.7	21%	0.206	43%	0.434	C	S	.	.	H	α-helix	trans	-62.5	-28.7	170.5	-73.8	165.5	24.9	0	0	112.9	L86 K87 R214 F217 K218	L86-Q90 VanDerWaalsContact O-CG 3.23Å; L86-Q90 WeakPolarHBondContact O-CG 3.36Å; L86-Q90 PolarHBondContact O-N 3.35Å; K87-Q90 WeakPolarHBondContact O-CB 3.17Å; K87-Q90 PolarHBondContact O-N 2.91Å; Q90-R214 VanDerWaalsContact O-CD 3.3Å; Q90-R214 WeakPolarHBondContact O-CD 3.4Å; Q90-R214 VanDerWaalsContact O-CG 3.25Å; Q90-R214 WeakPolarHBondContact O-CG 3.16Å; Q90-R214 PolarHBondContact O-NE 3.39Å; Q90-F217 HydrophobicContact CG-CB 3.65Å; Q90-F217 PolarHBondContact NE2-O 2.91Å; Q90-K218 VanDerWaalsContact NE2-CA 3.27Å
91	Q	65.7	Low	63	Low	134 Å²	134	86.9 Å²	86.9	63%	0.626	45%	0.446	S	S	*	.	H	α-helix	trans	-80.5	-21.7	179.9	-70.2	178.7	-7	0	0	112.9	K87 L88 A89 Q93 R214	K87-Q91 PolarHBondContact O-N 2.7Å; L88-Q91 PolarHBondContact O-N 3.22Å; L88-Q91 VanDerWaalsContact O-N 3.15Å; A89-Q91 PolarHBondContact O-N 3.49Å; Q91-Q93 PolarHBondContact O-N 2.88Å; Q91-R214 PolarHBondContact O-NH2 3.39Å; Q91-R214 VanDerWaalsContact O-NH2 3.12Å
92	R	64.9	Low	61.8	Low	97 Å²	97	85.7 Å²	85.7	37%	0.366	44%	0.44	S	S	.	.	S	Bend	trans	-55.1	130.5	175.2	-66.2	-177	-173.8	159.4	2	109.2	D49 Y85 L88 A89 N94 R214	D49-R92 IonicContact OD1-CZ 3.98Å; D49-R92 IonicContact OD1-NH1 2.76Å; D49-R92 PolarHBondContact OD1-NH1 3.45Å; D49-R92 IonicContact OD2-NH1 3.17Å; D49-R92 PolarHBondContact OD2-NH1 3.02Å; Y85-R92 PolarHBondContact OH-NH1 2.86Å; L88-R92 PolarHBondContact O-N 3.48Å; A89-R92 WeakPolarHBondContact O-CB 3.07Å; A89-R92 PolarHBondContact O-N 3.01Å; R92-N94 PolarHBondContact O-N 3.24Å; R92-R214 PolarHBondContact O-NE 3.29Å; R92-R214 PolarHBondContact O-NH2 3.48Å; R92-R214 VanDerWaalsContact O-NH2 3.13Å
93	Q	52.4	Low	61.2	Low	174 Å²	174	82.6 Å²	82.6	81%	0.813	43%	0.433	S	S	*	.			trans	-58.9	127.5	178	-97.4	176.1	-19.9	0	0	108.3	Q91 V95	Q91-Q93 PolarHBondContact O-N 2.88Å; Q93-V95 PolarHBondContact O-N 2.8Å
94	N	52.2	Low	60.7	Low	34 Å²	34	79.4 Å²	79.4	18%	0.182	42%	0.421	C	S	.	.			trans	-60.7	104.1	171.5	-70.3	-31.3	0	0	0	108.4	R92 M96 D212 R214	R92-N94 PolarHBondContact O-N 3.24Å; N94-M96 PolarHBondContact O-N 3.34Å; N94-D212 PolarHBondContact ND2-OD1 3.18Å; N94-D212 PolarHBondContact ND2-OD2 3.49Å; N94-D212 PolarHBondContact OD1-OD1 2.99Å; N94-D212 VanDerWaalsContact OD1-OD1 3.12Å; N94-R214 VanDerWaalsContact ND2-CD 3.32Å; N94-R214 WeakPolarHBondContact ND2-CD 3.41Å; N94-R214 WeakPolarHBondContact OD1-CD 3.43Å; N94-R214 WeakPolarHBondContact OD1-CG 3.46Å
95	V	49	Very low	59.8	Low	135 Å²	135	82.1 Å²	82.1	82%	0.818	43%	0.434	S	S	*	.	S	Bend	trans	-70.5	-9.1	166.8	-177.8	0	0	0	0	110.4	Q93	Q93-V95 PolarHBondContact O-N 2.8Å
96	M	48.5	Very low	58.9	Low	60 Å²	60	84.9 Å²	84.9	30%	0.296	45%	0.45	S	S	.	.			trans	-105.1	68.8	176	-60.4	-170.7	80.8	0	0	111.1	N94 N98 M105	N94-M96 PolarHBondContact O-N 3.34Å; M96-N98 PolarHBondContact O-N 3.03Å; M96-M105 HydrophobicContact CE-CE 3.32Å
97	L	42.3	Very low	58.3	Low	136 Å²	136	87.7 Å²	87.7	71%	0.712	47%	0.467	S	S	*	.			trans	-60.7	107.3	162	-115.5	112.3	0	0	0	107.5
98	N	45.3	Very low	57.8	Low	116 Å²	116	88.9 Å²	88.9	62%	0.62	47%	0.473	S	S	*	.			trans	36.5	122	171.5	-81.4	-9.2	0	0	0	117.2	M96 M100 A101 D102	M96-N98 PolarHBondContact O-N 3.03Å; N98-M100 PolarHBondContact O-N 3.31Å; N98-A101 HydrophobicContact CB-CB 3.97Å; N98-A101 PolarHBondContact O-N 3.18Å; N98-D102 PolarHBondContact O-N 3.09Å
99	P	44.7	Very low	57.1	Low	73 Å²	73	90.6 Å²	90.6	47%	0.474	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-14	169.6	-21.9	31.5	0	0	0	114.9
100	M	50.4	Low	56.9	Low	178 Å²	178	94 Å²	94	88%	0.877	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-20.4	171.2	-94.2	-171	161.7	0	0	114.9	N98	N98-M100 PolarHBondContact O-N 3.31Å
101	A	53.2	Low	56.7	Low	60 Å²	60	97.6 Å²	97.6	50%	0.496	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-21.5	180	0	0	0	0	0	112.3	N98 P103	N98-A101 HydrophobicContact CB-CB 3.97Å; N98-A101 PolarHBondContact O-N 3.18Å; A101-P103 WeakPolarHBondContact O-CD 3.07Å
102	D	49.3	Very low	56.7	Low	79 Å²	79	93 Å²	93	42%	0.422	50%	0.502	S	S	.	.			trans	-101.2	97.6	176.9	-126.6	-29.6	0	0	0	111	N98 S104 M105 M106	N98-D102 PolarHBondContact O-N 3.09Å; D102-S104 PolarHBondContact O-N 3.24Å; D102-S104 VanDerWaalsContact O-N 3.08Å; D102-S104 PolarHBondContact OD1-OG 2.83Å; D102-S104 VanDerWaalsContact OD1-OG 3.09Å; D102-M105 PolarHBondContact O-N 3.08Å; D102-M106 PolarHBondContact O-N 2.9Å
103	P	57.8	Low	57.1	Low	95 Å²	95	92.7 Å²	92.7	62%	0.617	51%	0.507	S	S	*	.	H	α-helix	trans	-60.4	-20.9	179.2	22.5	-31.6	0	0	0	112.1	A101 T107	A101-P103 WeakPolarHBondContact O-CD 3.07Å; P103-T107 WeakPolarHBondContact O-CB 3.41Å; P103-T107 PolarHBondContact O-N 2.59Å; P103-T107 PolarHBondContact O-OG1 3.49Å
104	S	65.4	Low	58.1	Low	55 Å²	55	88.5 Å²	88.5	39%	0.385	49%	0.49	S	S	.	.	H	α-helix	trans	-63.6	-47.5	176.3	58.8	0	0	0	0	112.8	D102 T107 E108	D102-S104 PolarHBondContact O-N 3.24Å; D102-S104 VanDerWaalsContact O-N 3.08Å; D102-S104 PolarHBondContact OD1-OG 2.83Å; D102-S104 VanDerWaalsContact OD1-OG 3.09Å; S104-T107 CarbonylContact O-C 3.56Å; S104-T107 WeakPolarHBondContact O-CB 3.43Å; S104-T107 PolarHBondContact O-N 3.47Å; S104-E108 WeakPolarHBondContact O-CG 3.33Å; S104-E108 PolarHBondContact O-N 3.04Å
105	M	58	Low	59	Low	57 Å²	57	91.4 Å²	91.4	28%	0.281	51%	0.505	S	S	.	.	H	α-helix	trans	-72.2	-41	-178.1	-75.1	-87.5	-83.1	0	0	112.2	K40 M96 D102 T107 E108 M109	K40-M105 PolarHBondContact NZ-SD 3.35Å; M96-M105 HydrophobicContact CE-CE 3.32Å; D102-M105 PolarHBondContact O-N 3.08Å; M105-T107 VanDerWaalsContact C-N 3.28Å; M105-T107 PolarHBondContact O-N 2.75Å; M105-E108 PolarHBondContact O-N 3.27Å; M105-M109 PolarHBondContact O-N 3.25Å
106	M	62.8	Low	60.2	Low	103 Å²	103	86.4 Å²	86.4	51%	0.507	47%	0.474	S	S	.	.	H	α-helix	trans	-62.5	-40.5	170.4	-177.1	174.3	179.1	0	0	110.5	D102 E108 M109 L110	D102-M106 PolarHBondContact O-N 2.9Å; M106-E108 VanDerWaalsContact C-N 3.32Å; M106-E108 PolarHBondContact O-N 3.01Å; M106-M109 PolarHBondContact O-N 2.87Å; M106-L110 HydrophobicContact CE-CD1 3.89Å; M106-L110 HydrophobicContact CG-CD1 3.82Å; M106-L110 HydrophobicContact CG-CG 4.16Å; M106-L110 VanDerWaalsContact O-CB 3.25Å; M106-L110 WeakPolarHBondContact O-CB 3.14Å; M106-L110 WeakPolarHBondContact O-CG 3.48Å; M106-L110 PolarHBondContact O-N 3.44Å
107	T	66.1	Low	61.7	Low	59 Å²	59	85.9 Å²	85.9	36%	0.362	47%	0.474	S	S	.	.	H	α-helix	trans	-63.3	-37.5	175.7	-65.4	0	0	0	0	111.7	P103 S104 M105 K111	P103-T107 WeakPolarHBondContact O-CB 3.41Å; P103-T107 PolarHBondContact O-N 2.59Å; P103-T107 PolarHBondContact O-OG1 3.49Å; S104-T107 CarbonylContact O-C 3.56Å; S104-T107 WeakPolarHBondContact O-CB 3.43Å; S104-T107 PolarHBondContact O-N 3.47Å; M105-T107 VanDerWaalsContact C-N 3.28Å; M105-T107 PolarHBondContact O-N 2.75Å; T107-K111 HydrophobicContact CG2-CD 3.79Å; T107-K111 HydrophobicContact CG2-CG 4.09Å; T107-K111 WeakPolarHBondContact O-CA 3.3Å; T107-K111 WeakPolarHBondContact O-CB 3.02Å; T107-K111 WeakPolarHBondContact O-CD 3.35Å; T107-K111 WeakPolarHBondContact O-CG 3.3Å; T107-K111 PolarHBondContact O-N 3.48Å
108	E	63.5	Low	63.7	Low	93 Å²	93	83.5 Å²	83.5	44%	0.435	46%	0.461	S	S	.	.	H	α-helix	trans	-66.4	-44.9	175.8	-76.6	175.1	-165	0	0	112.4	K40 S104 M105 M106 K111 G112	K40-E108 IonicContact NZ-OE2 2.63Å; K40-E108 PolarHBondContact NZ-OE2 3.34Å; S104-E108 WeakPolarHBondContact O-CG 3.33Å; S104-E108 PolarHBondContact O-N 3.04Å; M105-E108 PolarHBondContact O-N 3.27Å; M106-E108 VanDerWaalsContact C-N 3.32Å; M106-E108 PolarHBondContact O-N 3.01Å; E108-K111 PolarHBondContact O-N 3.42Å; E108-G112 PolarHBondContact O-N 3.39Å
109	M	63.4	Low	65.5	Low	118 Å²	118	80.3 Å²	80.3	58%	0.581	45%	0.447	S	S	*	.	H	α-helix	trans	-62.6	-45.5	175	-178.2	-177.1	175.8	0	0	111.4	M105 M106 G112 N113	M105-M109 PolarHBondContact O-N 3.25Å; M106-M109 PolarHBondContact O-N 2.87Å; M109-G112 PolarHBondContact O-N 3.25Å; M109-N113 PolarHBondContact O-N 3.33Å; M109-N113 VanDerWaalsContact O-N 3.16Å
110	L	67.8	Low	67.4	Low	73 Å²	73	78.3 Å²	78.3	38%	0.382	43%	0.432	S	S	.	.	H	α-helix	trans	-65	-41	176.5	-71.7	176.8	0	0	0	111.1	M106 G112 N113 L114	M106-L110 HydrophobicContact CE-CD1 3.89Å; M106-L110 HydrophobicContact CG-CD1 3.82Å; M106-L110 HydrophobicContact CG-CG 4.16Å; M106-L110 VanDerWaalsContact O-CB 3.25Å; M106-L110 WeakPolarHBondContact O-CB 3.14Å; M106-L110 WeakPolarHBondContact O-CG 3.48Å; M106-L110 PolarHBondContact O-N 3.44Å; L110-G112 VanDerWaalsContact C-N 3.32Å; L110-G112 PolarHBondContact O-N 3.18Å; L110-N113 PolarHBondContact O-N 2.73Å; L110-L114 HydrophobicContact CB-CD1 4.13Å; L110-L114 WeakPolarHBondContact O-CB 3.05Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 2.93Å
111	K	67.5	Low	69.2	Low	120 Å²	120	74.8 Å²	74.8	52%	0.522	42%	0.415	S	S	.	.	H	α-helix	trans	-56.9	-47.1	175.1	-83.2	168.3	176.3	172.7	0	110.1	T107 E108 N113 L114 L115	T107-K111 HydrophobicContact CG2-CD 3.79Å; T107-K111 HydrophobicContact CG2-CG 4.09Å; T107-K111 WeakPolarHBondContact O-CA 3.3Å; T107-K111 WeakPolarHBondContact O-CB 3.02Å; T107-K111 WeakPolarHBondContact O-CD 3.35Å; T107-K111 WeakPolarHBondContact O-CG 3.3Å; T107-K111 PolarHBondContact O-N 3.48Å; E108-K111 PolarHBondContact O-N 3.42Å; K111-N113 PolarHBondContact O-N 3.1Å; K111-L114 PolarHBondContact O-N 3.41Å; K111-L115 WeakPolarHBondContact O-CB 3.45Å; K111-L115 WeakPolarHBondContact O-CD1 3.39Å; K111-L115 WeakPolarHBondContact O-CG 3.06Å; K111-L115 PolarHBondContact O-N 2.65Å
112	G	67.4	Low	71	Confident	38 Å²	38	78.3 Å²	78.3	39%	0.392	42%	0.424	S	S	.	.	H	α-helix	trans	-58.1	-44.4	177	0	0	0	0	0	113.3	E108 M109 L110 N116	E108-G112 PolarHBondContact O-N 3.39Å; M109-G112 PolarHBondContact O-N 3.25Å; L110-G112 VanDerWaalsContact C-N 3.32Å; L110-G112 PolarHBondContact O-N 3.18Å; G112-N116 PolarHBondContact O-ND2 3.08Å
113	N	71.5	Confident	72.8	Confident	90 Å²	90	75.6 Å²	75.6	48%	0.481	41%	0.41	S	S	.	.	H	α-helix	trans	-74.4	-42.9	178.9	-165.6	17.7	0	0	0	112.7	M109 L110 K111 N116 V117	M109-N113 PolarHBondContact O-N 3.33Å; M109-N113 VanDerWaalsContact O-N 3.16Å; L110-N113 PolarHBondContact O-N 2.73Å; K111-N113 PolarHBondContact O-N 3.1Å; N113-N116 WeakPolarHBondContact O-CB 3.42Å; N113-N116 PolarHBondContact O-N 2.87Å; N113-N116 VanDerWaalsContact O-N 3.15Å; N113-V117 WeakPolarHBondContact O-CG2 3.19Å; N113-V117 PolarHBondContact O-N 3.4Å; N113-V117 VanDerWaalsContact O-N 3.1Å
114	L	73.7	Confident	74.3	Confident	86 Å²	86	71.3 Å²	71.3	45%	0.45	38%	0.382	S	S	.	.	H	α-helix	trans	-65.5	-41.3	-179.4	-72.1	172.1	0	0	0	111.7	L110 K111 N116 V117 I118	L110-L114 HydrophobicContact CB-CD1 4.13Å; L110-L114 WeakPolarHBondContact O-CB 3.05Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 2.93Å; K111-L114 PolarHBondContact O-N 3.41Å; L114-N116 PolarHBondContact O-N 3.49Å; L114-V117 PolarHBondContact O-N 2.86Å; L114-V117 VanDerWaalsContact O-N 3.16Å; L114-I118 HydrophobicContact CB-CD1 3.91Å; L114-I118 HydrophobicContact CB-CG1 4.49Å; L114-I118 VanDerWaalsContact O-CB 3.29Å; L114-I118 WeakPolarHBondContact O-CB 3.45Å; L114-I118 WeakPolarHBondContact O-CG1 3.27Å; L114-I118 PolarHBondContact O-N 3.47Å
115	L	72.2	Confident	75.5	Confident	96 Å²	96	70.6 Å²	70.6	50%	0.503	38%	0.384	S	S	.	.	H	α-helix	trans	-60.7	-25.8	175.8	-72.7	172.6	0	0	0	112.2	K111 P119	K111-L115 WeakPolarHBondContact O-CB 3.45Å; K111-L115 WeakPolarHBondContact O-CD1 3.39Å; K111-L115 WeakPolarHBondContact O-CG 3.06Å; K111-L115 PolarHBondContact O-N 2.65Å; L115-P119 WeakPolarHBondContact O-CD 3.39Å; L115-P119 WeakPolarHBondContact O-CG 3.3Å
116	N	73.7	Confident	77.1	Confident	29 Å²	29	74 Å²	74	16%	0.155	39%	0.394	C	S	.	.	H	α-helix	trans	-83.6	-36.6	175.4	-73.4	-40.8	0	0	0	113.2	G112 N113 L114	G112-N116 PolarHBondContact O-ND2 3.08Å; N113-N116 WeakPolarHBondContact O-CB 3.42Å; N113-N116 PolarHBondContact O-N 2.87Å; N113-N116 VanDerWaalsContact O-N 3.15Å; L114-N116 PolarHBondContact O-N 3.49Å
117	V	79.6	Confident	78.4	Confident	50 Å²	50	69.2 Å²	69.2	30%	0.303	37%	0.37	S	S	.	.	H	α-helix	trans	-84.7	-38.7	-175.6	175.5	0	0	0	0	112.6	N113 L114 M120 L121	N113-V117 WeakPolarHBondContact O-CG2 3.19Å; N113-V117 PolarHBondContact O-N 3.4Å; N113-V117 VanDerWaalsContact O-N 3.1Å; L114-V117 PolarHBondContact O-N 2.86Å; L114-V117 VanDerWaalsContact O-N 3.16Å; V117-M120 WeakPolarHBondContact O-CB 3.18Å; V117-M120 PolarHBondContact O-N 2.86Å; V117-L121 HydrophobicContact CG1-CD1 3.8Å; V117-L121 HydrophobicContact CG1-CG 4.09Å; V117-L121 PolarHBondContact O-N 2.85Å; V117-L121 VanDerWaalsContact O-N 3.11Å
118	I	84.4	Confident	79.4	Confident	86 Å²	86	68.3 Å²	68.3	44%	0.441	36%	0.363	S	S	.	.	H	α-helix	trans	-58.9	-48	-175.4	-70.4	168.2	0	0	0	112	L114 M120 L121 M122	L114-I118 HydrophobicContact CB-CD1 3.91Å; L114-I118 HydrophobicContact CB-CG1 4.49Å; L114-I118 VanDerWaalsContact O-CB 3.29Å; L114-I118 WeakPolarHBondContact O-CB 3.45Å; L114-I118 WeakPolarHBondContact O-CG1 3.27Å; L114-I118 PolarHBondContact O-N 3.47Å; I118-M120 VanDerWaalsContact C-N 3.26Å; I118-M120 PolarHBondContact O-N 3.07Å; I118-L121 PolarHBondContact O-N 3.24Å; I118-M122 HydrophobicContact CG2-CG 4Å; I118-M122 WeakPolarHBondContact O-CB 3.11Å; I118-M122 VanDerWaalsContact O-CG 3.25Å; I118-M122 WeakPolarHBondContact O-CG 3.21Å; I118-M122 PolarHBondContact O-N 2.99Å
119	P	83.1	Confident	80.6	Confident	49 Å²	49	73.3 Å²	73.3	32%	0.318	38%	0.378	S	S	.	.	H	α-helix	trans	-60	-37.7	179.2	-25.1	35.7	0	0	0	112.7	L115 M122 V123	L115-P119 WeakPolarHBondContact O-CD 3.39Å; L115-P119 WeakPolarHBondContact O-CG 3.3Å; P119-M122 PolarHBondContact O-N 3.3Å; P119-V123 WeakPolarHBondContact O-CB 3.48Å; P119-V123 WeakPolarHBondContact O-CG2 3.22Å; P119-V123 PolarHBondContact O-N 3.12Å
120	M	85.8	Confident	81.8	Confident	31 Å²	31	70.6 Å²	70.6	15%	0.153	37%	0.368	C	S	.	.	H	α-helix	trans	-63.6	-45.2	178.1	177.6	179.7	176.9	0	0	111.6	V117 I118 G124 Y171 F172 V175 F176	V117-M120 WeakPolarHBondContact O-CB 3.18Å; V117-M120 PolarHBondContact O-N 2.86Å; I118-M120 VanDerWaalsContact C-N 3.26Å; I118-M120 PolarHBondContact O-N 3.07Å; M120-G124 PolarHBondContact O-N 3.22Å; M120-Y171 WeakPolarHBondContact CA-OH 3.49Å; M120-Y171 HydrophobicContact CG-CE1 4.38Å; M120-Y171 WeakPolarHBondContact O-CE1 3.25Å; M120-Y171 PolarHBondContact O-OH 3.12Å; M120-Y171 VanDerWaalsContact O-OH 3.11Å; M120-F172 HydrophobicContact CE-CD1 3.42Å; M120-F172 VanDerWaalsContact CE-CD1 3.42Å; M120-F172 HydrophobicContact CE-CE1 3.54Å; M120-F172 HydrophobicContact CG-CE1 4.31Å; M120-V175 HydrophobicContact CE-CB 4.04Å; M120-V175 HydrophobicContact CE-CG1 3.47Å; M120-V175 VanDerWaalsContact CE-CG1 3.47Å; M120-V175 HydrophobicContact CG-CG1 4.17Å; M120-V175 HydrophobicContact SD-CG1 3.7Å; M120-F176 HydrophobicContact CE-CE1 3.86Å; M120-F176 HydrophobicContact CE-CE2 4.38Å; M120-F176 HydrophobicContact CE-CZ 3.71Å
121	L	87.3	Confident	82.7	Confident	103 Å²	103	69.5 Å²	69.5	54%	0.539	36%	0.36	S	S	.	.	H	α-helix	trans	-68.8	-40.5	178.2	-66.1	179.5	0	0	0	112.2	V117 I118 G124 G125 F172	V117-L121 HydrophobicContact CG1-CD1 3.8Å; V117-L121 HydrophobicContact CG1-CG 4.09Å; V117-L121 PolarHBondContact O-N 2.85Å; V117-L121 VanDerWaalsContact O-N 3.11Å; I118-L121 PolarHBondContact O-N 3.24Å; L121-G124 PolarHBondContact O-N 3.43Å; L121-G125 PolarHBondContact O-N 3.24Å; L121-F172 HydrophobicContact CD2-CZ 4.46Å
122	M	90.2	Very high	83.6	Confident	135 Å²	135	66.7 Å²	66.7	67%	0.665	36%	0.356	S	S	*	.	H	α-helix	trans	-61.8	-47.8	178	-73.5	-68.2	-67.8	0	0	111.6	I118 P119 G125 W126	I118-M122 HydrophobicContact CG2-CG 4Å; I118-M122 WeakPolarHBondContact O-CB 3.11Å; I118-M122 VanDerWaalsContact O-CG 3.25Å; I118-M122 WeakPolarHBondContact O-CG 3.21Å; I118-M122 PolarHBondContact O-N 2.99Å; P119-M122 PolarHBondContact O-N 3.3Å; M122-G125 PolarHBondContact O-N 2.76Å; M122-W126 WeakPolarHBondContact O-CB 3.02Å; M122-W126 PolarHBondContact O-N 3.32Å
123	V	88.4	Confident	84.3	Confident	22 Å²	22	67.7 Å²	67.7	13%	0.133	37%	0.366	C	S	.	.	H	α-helix	trans	-67.3	-41.2	178.5	175	0	0	0	0	110.7	L21 I25 P119 G125 W126 I127 Y171	L21-V123 HydrophobicContact CD2-CG1 3.89Å; I25-V123 HydrophobicContact CD1-CB 4.49Å; I25-V123 HydrophobicContact CD1-CG1 3.82Å; I25-V123 HydrophobicContact CD1-CG2 3.82Å; P119-V123 WeakPolarHBondContact O-CB 3.48Å; P119-V123 WeakPolarHBondContact O-CG2 3.22Å; P119-V123 PolarHBondContact O-N 3.12Å; V123-G125 VanDerWaalsContact C-N 3.34Å; V123-G125 PolarHBondContact O-N 3.09Å; V123-W126 PolarHBondContact O-N 2.83Å; V123-I127 HydrophobicContact CG1-CD1 3.81Å; V123-I127 HydrophobicContact CG1-CG1 4.41Å; V123-I127 WeakPolarHBondContact O-CB 3.09Å; V123-I127 WeakPolarHBondContact O-CG1 3.1Å; V123-I127 PolarHBondContact O-N 3.41Å; V123-Y171 HydrophobicContact CB-CE2 4.28Å; V123-Y171 HydrophobicContact CG1-CD2 4.33Å; V123-Y171 HydrophobicContact CG1-CE2 3.54Å
124	G	89.1	Confident	84.9	Confident	4 Å²	4	66.2 Å²	66.2	4%	0.041	36%	0.356	C	S	.	.	H	α-helix	trans	-60.4	-41.4	174.7	0	0	0	0	0	112.8	M120 L121 N128	M120-G124 PolarHBondContact O-N 3.22Å; L121-G124 PolarHBondContact O-N 3.43Å; G124-N128 WeakPolarHBondContact O-CB 3.29Å; G124-N128 PolarHBondContact O-N 2.86Å
125	G	90	Very high	85.6	Confident	41 Å²	41	62.8 Å²	62.8	42%	0.423	34%	0.338	S	S	.	.	H	α-helix	trans	-64.4	-42.6	174	0	0	0	0	0	112.7	L121 M122 V123 N128 W129	L121-G125 PolarHBondContact O-N 3.24Å; M122-G125 PolarHBondContact O-N 2.76Å; V123-G125 VanDerWaalsContact C-N 3.34Å; V123-G125 PolarHBondContact O-N 3.09Å; G125-N128 PolarHBondContact O-N 2.73Å; G125-W129 PolarHBondContact O-N 3.16Å
126	W	91.3	Very high	86.3	Confident	129 Å²	129	58.6 Å²	58.6	49%	0.489	32%	0.316	S	S	.	.	H	α-helix	trans	-65.5	-40.1	176.9	176.9	61.8	0	0	0	113	L21 M122 V123 W129 T130	L21-W126 HydrophobicContact CD1-CH2 4.18Å; L21-W126 HydrophobicContact CD1-CZ3 3.77Å; L21-W126 HydrophobicContact CD2-CZ3 4.16Å; M122-W126 WeakPolarHBondContact O-CB 3.02Å; M122-W126 PolarHBondContact O-N 3.32Å; V123-W126 PolarHBondContact O-N 2.83Å; W126-W129 PolarHBondContact O-N 3.37Å; W126-T130 PolarHBondContact NE1-OG1 3.1Å; W126-T130 WeakPolarHBondContact O-CB 3.19Å; W126-T130 PolarHBondContact O-N 3.44Å; W126-T130 PolarHBondContact O-OG1 3.16Å
127	I	90.2	Very high	87.1	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-64.5	-43.7	173.7	-72.1	168.5	0	0	0	110.5	I18 L21 V123 W129 T130 F131 Y171	I18-I127 HydrophobicContact CD1-CG2 4.1Å; L21-I127 HydrophobicContact CD2-CD1 4.19Å; V123-I127 HydrophobicContact CG1-CD1 3.81Å; V123-I127 HydrophobicContact CG1-CG1 4.41Å; V123-I127 WeakPolarHBondContact O-CB 3.09Å; V123-I127 WeakPolarHBondContact O-CG1 3.1Å; V123-I127 PolarHBondContact O-N 3.41Å; I127-W129 VanDerWaalsContact C-N 3.29Å; I127-W129 PolarHBondContact O-N 3.18Å; I127-T130 PolarHBondContact O-N 2.85Å; I127-F131 HydrophobicContact CG2-CD2 4.17Å; I127-F131 WeakPolarHBondContact O-CB 3.46Å; I127-F131 PolarHBondContact O-N 2.99Å; I127-Y171 HydrophobicContact CD1-CD1 4.48Å; I127-Y171 HydrophobicContact CD1-CD2 3.16Å; I127-Y171 HydrophobicContact CD1-CE2 3.8Å; I127-Y171 HydrophobicContact CD1-CG 3.58Å
128	N	88.3	Confident	87.5	Confident	40 Å²	40	60.1 Å²	60.1	21%	0.214	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-39.4	176.6	-172.3	45.7	0	0	0	111.7	G124 G125 S132 H153 A168	G124-N128 WeakPolarHBondContact O-CB 3.29Å; G124-N128 PolarHBondContact O-N 2.86Å; G125-N128 PolarHBondContact O-N 2.73Å; N128-S132 WeakPolarHBondContact O-CB 3.46Å; N128-S132 PolarHBondContact O-N 3.23Å; N128-H153 PolarHBondContact ND2-CD2 3.44Å; N128-H153 VanDerWaalsContact ND2-CD2 3.26Å; N128-H153 PolarHBondContact OD1-CD2 3.2Å; N128-A168 HydrophobicContact CB-CB 3.98Å
129	W	87.6	Confident	87.7	Confident	199 Å²	199	56.5 Å²	56.5	75%	0.754	30%	0.302	S	S	*	.	H	α-helix	trans	-68.6	-49.1	175.9	-179.6	71.5	0	0	0	112.3	G125 W126 I127 S132	G125-W129 PolarHBondContact O-N 3.16Å; W126-W129 PolarHBondContact O-N 3.37Å; I127-W129 VanDerWaalsContact C-N 3.29Å; I127-W129 PolarHBondContact O-N 3.18Å; W129-S132 PolarHBondContact O-OG 3.15Å
130	T	89.4	Confident	87.9	Confident	61 Å²	61	60.2 Å²	60.2	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-71.4	-37.5	-174.5	-53.8	0	0	0	0	113.2	W126 I127	W126-T130 PolarHBondContact NE1-OG1 3.1Å; W126-T130 WeakPolarHBondContact O-CB 3.19Å; W126-T130 PolarHBondContact O-N 3.44Å; W126-T130 PolarHBondContact O-OG1 3.16Å; I127-T130 PolarHBondContact O-N 2.85Å
131	F	86.5	Confident	88.1	Confident	49 Å²	49	63.8 Å²	63.8	22%	0.215	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	42.8	-174.4	-61.1	-65.6	0	0	0	111.6	V14 I18 I127 F134 S167	V14-F131 HydrophobicContact CB-CD1 4.47Å; V14-F131 HydrophobicContact CG1-CB 4.33Å; V14-F131 HydrophobicContact CG1-CD1 3.91Å; V14-F131 HydrophobicContact CG1-CE1 4.31Å; V14-F131 HydrophobicContact CG1-CG 4.01Å; V14-F131 HydrophobicContact CG2-CD1 3.9Å; V14-F131 HydrophobicContact CG2-CE1 3.97Å; I18-F131 HydrophobicContact CD1-CD2 4.29Å; I18-F131 HydrophobicContact CG1-CE2 4.39Å; I127-F131 HydrophobicContact CG2-CD2 4.17Å; I127-F131 WeakPolarHBondContact O-CB 3.46Å; I127-F131 PolarHBondContact O-N 2.99Å; F131-F134 HydrophobicContact CB-CE1 4.26Å; F131-F134 HydrophobicContact CB-CZ 3.76Å; F131-F134 AromaticContact CD1-CZ 3.94Å; F131-F134 HydrophobicContact CD1-CZ 3.94Å; F131-F134 HydrophobicContact CG-CZ 4.31Å; F131-S167 WeakPolarHBondContact CB-OG 3.43Å; F131-S167 WeakPolarHBondContact O-CB 3.19Å; F131-S167 PolarHBondContact O-OG 3.42Å
132	S	85.6	Confident	87.9	Confident	62 Å²	62	64.8 Å²	64.8	43%	0.434	35%	0.354	S	S	.	.			trans	-85.7	160.7	172	50.3	0	0	0	0	112	N128 W129 F134	N128-S132 WeakPolarHBondContact O-CB 3.46Å; N128-S132 PolarHBondContact O-N 3.23Å; W129-S132 PolarHBondContact O-OG 3.15Å; S132-F134 WeakPolarHBondContact O-CD1 3.17Å
133	G	82.7	Confident	87.7	Confident	58 Å²	58	60.7 Å²	60.7	60%	0.598	34%	0.335	S	S	*	.	S	Bend	trans	96.5	-7	168.9	0	0	0	0	0	116.4	G154	G133-G154 WeakPolarHBondContact CA-O 3.36Å
134	F	84.9	Confident	87.6	Confident	60 Å²	60	63.6 Å²	63.6	26%	0.263	35%	0.353	S	S	.	.	S	Bend	trans	-139.5	160.6	-179.7	59.5	-90.7	0	0	0	112.8	I10 V14 F131 S132	I10-F134 HydrophobicContact CD1-CD2 4.4Å; I10-F134 HydrophobicContact CG2-CD2 4.3Å; I10-F134 HydrophobicContact CG2-CE2 4.18Å; V14-F134 HydrophobicContact CB-CE2 4.29Å; V14-F134 HydrophobicContact CB-CZ 4.47Å; V14-F134 HydrophobicContact CG1-CE2 3.93Å; V14-F134 HydrophobicContact CG1-CZ 4.04Å; V14-F134 HydrophobicContact CG2-CE2 3.86Å; V14-F134 HydrophobicContact CG2-CZ 3.75Å; F131-F134 HydrophobicContact CB-CE1 4.26Å; F131-F134 HydrophobicContact CB-CZ 3.76Å; F131-F134 AromaticContact CD1-CZ 3.94Å; F131-F134 HydrophobicContact CD1-CZ 3.94Å; F131-F134 HydrophobicContact CG-CZ 4.31Å; S132-F134 WeakPolarHBondContact O-CD1 3.17Å
135	V	87.4	Confident	87.2	Confident	13 Å²	13	69.6 Å²	69.6	8%	0.079	38%	0.383	C	S	.	.			trans	-85	132.3	176.7	177.8	0	0	0	0	109.1	L6 I155 L160 W164	L6-V135 HydrophobicContact CD2-CB 4.23Å; L6-V135 HydrophobicContact CD2-CG1 4.44Å; L6-V135 WeakPolarHBondContact CD2-O 3.24Å; V135-I155 HydrophobicContact CG2-CD1 3.76Å; V135-I155 HydrophobicContact CG2-CG1 4.46Å; V135-I155 HydrophobicContact CG2-CG2 4.5Å; V135-L160 HydrophobicContact CG2-CD2 3.67Å; V135-W164 HydrophobicContact CG1-CB 3.87Å; V135-W164 HydrophobicContact CG1-CD2 4.14Å; V135-W164 HydrophobicContact CG1-CE3 3.47Å; V135-W164 VanDerWaalsContact CG1-CE3 3.47Å; V135-W164 HydrophobicContact CG1-CG 4.35Å; V135-W164 HydrophobicContact CG1-CZ3 4.33Å
136	T	86.9	Confident	87	Confident	8 Å²	8	78.3 Å²	78.3	5%	0.049	40%	0.403	C	S	.	.			trans	-93.9	-50.2	-177.1	-60	0	0	0	0	112.6	V14 V165 S167 W170	V14-T136 HydrophobicContact CG1-CG2 4.45Å; T136-V165 PolarHBondContact N-O 3.38Å; T136-S167 VanDerWaalsContact OG1-CA 3.28Å; T136-S167 WeakPolarHBondContact OG1-CA 3.41Å; T136-S167 PolarHBondContact OG1-N 3.07Å; T136-S167 VanDerWaalsContact OG1-N 3.09Å; T136-W170 HydrophobicContact CG2-CB 4.25Å; T136-W170 HydrophobicContact CG2-CG 4.26Å
137	T	89.5	Confident	86.5	Confident	33 Å²	33	77.3 Å²	77.3	20%	0.202	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	168.1	-176.9	-169.5	0	0	0	0	111.5	V165 W170	T137-V165 HydrophobicContact CG2-CG2 3.51Å; T137-V165 WeakPolarHBondContact O-CG2 3.25Å; T137-V165 PolarHBondContact O-N 2.84Å; T137-W170 HydrophobicContact CG2-CD2 4.32Å; T137-W170 HydrophobicContact CG2-CE3 3.9Å; T137-W170 HydrophobicContact CG2-CZ3 4.49Å
138	K	89.2	Confident	86	Confident	79 Å²	79	78.4 Å²	78.4	34%	0.343	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.9	173.2	-176.2	-176.3	174.8	-172.3	0	109	S163 W164	K138-S163 CarbonylContact C-O 3.5Å; K138-S163 WeakPolarHBondContact CA-O 3.19Å; K138-W164 HydrophobicContact CB-CD2 4.05Å; K138-W164 HydrophobicContact CB-CE3 3.72Å; K138-W164 HydrophobicContact CB-CH2 4.15Å; K138-W164 HydrophobicContact CB-CZ2 4.41Å; K138-W164 HydrophobicContact CB-CZ3 3.79Å; K138-W164 HydrophobicContact CD-CH2 4.3Å; K138-W164 HydrophobicContact CD-CZ2 3.93Å; K138-W164 HydrophobicContact CG-CD2 4.29Å; K138-W164 HydrophobicContact CG-CE3 4.45Å; K138-W164 HydrophobicContact CG-CZ2 4.5Å
139	V	89.2	Confident	85.7	Confident	9 Å²	9	81 Å²	81	6%	0.055	43%	0.427	C	S	.	.			trans	-75.6	144.9	172	-65.1	0	0	0	0	110.9	F141 L143 S163 V165 L173	V139-F141 HydrophobicContact CB-CD1 4.42Å; V139-F141 HydrophobicContact CB-CE1 4.03Å; V139-F141 HydrophobicContact CB-CE2 4.27Å; V139-F141 HydrophobicContact CB-CZ 3.94Å; V139-F141 HydrophobicContact CG1-CZ 4.21Å; V139-F141 HydrophobicContact CG2-CD2 4.28Å; V139-F141 HydrophobicContact CG2-CE2 4.03Å; V139-F141 HydrophobicContact CG2-CZ 4.22Å; V139-F141 PolarHBondContact O-N 3.4Å; V139-L143 HydrophobicContact CG2-CD1 3.4Å; V139-L143 VanDerWaalsContact CG2-CD1 3.4Å; V139-L143 HydrophobicContact CG2-CG 4.31Å; V139-S163 WeakPolarHBondContact CG2-O 3.39Å; V139-S163 PolarHBondContact N-O 2.78Å; V139-V165 HydrophobicContact CG1-CG1 4.13Å; V139-V165 HydrophobicContact CG1-CG2 4.42Å; V139-L173 HydrophobicContact CG1-CD1 4.17Å
140	P	87.3	Confident	85.4	Confident	128 Å²	128	78.1 Å²	78.1	83%	0.831	42%	0.423	S	S	*	.	S	Bend	trans	-80.1	4.2	-173.2	32.8	-36.4	0	0	0	114.2
141	F	89	Confident	85	Confident	105 Å²	105	76.7 Å²	76.7	46%	0.461	41%	0.413	S	S	.	.	S	Bend	trans	-123.7	145.2	179.9	50.1	-94.9	0	0	0	110.7	V139 L143	V139-F141 HydrophobicContact CB-CD1 4.42Å; V139-F141 HydrophobicContact CB-CE1 4.03Å; V139-F141 HydrophobicContact CB-CE2 4.27Å; V139-F141 HydrophobicContact CB-CZ 3.94Å; V139-F141 HydrophobicContact CG1-CZ 4.21Å; V139-F141 HydrophobicContact CG2-CD2 4.28Å; V139-F141 HydrophobicContact CG2-CE2 4.03Å; V139-F141 HydrophobicContact CG2-CZ 4.22Å; V139-F141 PolarHBondContact O-N 3.4Å; F141-L143 HydrophobicContact CD2-CD2 4.47Å; F141-L143 HydrophobicContact CD2-CG 4.14Å; F141-L143 HydrophobicContact CE2-CD1 4.22Å; F141-L143 HydrophobicContact CE2-CD2 4Å; F141-L143 HydrophobicContact CE2-CG 3.95Å; F141-L143 PolarHBondContact O-N 2.81Å
142	P	84.1	Confident	84.7	Confident	125 Å²	125	74.8 Å²	74.8	81%	0.812	41%	0.405	S	S	*	.			trans	-69.7	132.3	178.2	29	-33.7	0	0	0	110.5
143	L	84.7	Confident	84.3	Confident	48 Å²	48	77 Å²	77	25%	0.251	41%	0.408	S	S	.	.			trans	-104.9	148.5	175.9	-79.8	153.6	0	0	0	110.1	V139 F141 L151 A162	V139-L143 HydrophobicContact CG2-CD1 3.4Å; V139-L143 VanDerWaalsContact CG2-CD1 3.4Å; V139-L143 HydrophobicContact CG2-CG 4.31Å; F141-L143 HydrophobicContact CD2-CD2 4.47Å; F141-L143 HydrophobicContact CD2-CG 4.14Å; F141-L143 HydrophobicContact CE2-CD1 4.22Å; F141-L143 HydrophobicContact CE2-CD2 4Å; F141-L143 HydrophobicContact CE2-CG 3.95Å; F141-L143 PolarHBondContact O-N 2.81Å; L143-L151 HydrophobicContact CD1-CD1 3.65Å; L143-L151 HydrophobicContact CD2-CD1 4.24Å; L143-L151 HydrophobicContact CG-CD1 4.4Å; L143-A162 HydrophobicContact CB-CB 4.05Å; L143-A162 WeakPolarHBondContact CD1-O 3.3Å
144	T	86.4	Confident	83.8	Confident	84 Å²	84	76.3 Å²	76.3	52%	0.515	40%	0.401	S	S	.	.			trans	-70.8	144.1	177.4	65.2	0	0	0	0	111	R146 F147	T144-R146 PolarHBondContact O-N 2.99Å; T144-F147 PolarHBondContact O-N 3.45Å; T144-F147 VanDerWaalsContact O-N 3.09Å; T144-F147 WeakPolarHBondContact OG1-CD2 2.91Å; T144-F147 WeakPolarHBondContact OG1-CE2 3.42Å
145	L	81.4	Confident	83.5	Confident	129 Å²	129	74.7 Å²	74.7	68%	0.675	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-59.3	-23.6	-175.9	-171	66.2	0	0	0	113.4	F147 K148	L145-F147 VanDerWaalsContact C-N 3.28Å; L145-F147 PolarHBondContact O-N 3.47Å; L145-K148 HydrophobicContact CD1-CB 4.4Å; L145-K148 HydrophobicContact CD1-CD 3.76Å; L145-K148 WeakPolarHBondContact O-CB 3.43Å; L145-K148 PolarHBondContact O-N 2.81Å
146	R	85.3	Confident	82.9	Confident	225 Å²	225	79.1 Å²	79.1	85%	0.849	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-67.3	-25.8	179.1	-63.5	-64.9	-175.2	176.3	0.2	113.2	T144 K148 P149	T144-R146 PolarHBondContact O-N 2.99Å; R146-K148 VanDerWaalsContact C-N 3.33Å; R146-P149 WeakPolarHBondContact O-CD 3.25Å
147	F	81.9	Confident	82.2	Confident	108 Å²	108	83.3 Å²	83.3	47%	0.474	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-82.2	-11.8	175.6	-67.5	-62.9	0	0	0	113.3	T144 L145 M150 L151	T144-F147 PolarHBondContact O-N 3.45Å; T144-F147 VanDerWaalsContact O-N 3.09Å; T144-F147 WeakPolarHBondContact OG1-CD2 2.91Å; T144-F147 WeakPolarHBondContact OG1-CE2 3.42Å; L145-F147 VanDerWaalsContact C-N 3.28Å; L145-F147 PolarHBondContact O-N 3.47Å; F147-M150 WeakPolarHBondContact O-CB 3.32Å; F147-M150 PolarHBondContact O-N 3.42Å; F147-L151 HydrophobicContact CB-CD1 3.87Å; F147-L151 HydrophobicContact CB-CG 4.26Å; F147-L151 WeakPolarHBondContact O-CG 3.31Å; F147-L151 PolarHBondContact O-N 3.19Å
148	K	79	Confident	81.4	Confident	23 Å²	23	86.2 Å²	86.2	10%	0.1	48%	0.482	C	S	.	.	H	α-helix	trans	-50.7	-50.5	-178.7	-171.2	175.1	178.6	172.4	0	114.7	L145 R146 M150 L151 Q152 L157 A158 L160 A162	L145-K148 HydrophobicContact CD1-CB 4.4Å; L145-K148 HydrophobicContact CD1-CD 3.76Å; L145-K148 WeakPolarHBondContact O-CB 3.43Å; L145-K148 PolarHBondContact O-N 2.81Å; R146-K148 VanDerWaalsContact C-N 3.33Å; K148-M150 PolarHBondContact O-N 2.8Å; K148-L151 PolarHBondContact O-N 3.39Å; K148-L151 VanDerWaalsContact O-N 3.16Å; K148-Q152 HydrophobicContact CG-CG 4.41Å; K148-Q152 WeakPolarHBondContact O-CB 3.47Å; K148-Q152 PolarHBondContact O-N 2.94Å; K148-L157 PolarHBondContact NZ-O 3.07Å; K148-A158 PolarHBondContact NZ-O 2.71Å; K148-L160 VanDerWaalsContact CE-O 3.24Å; K148-L160 WeakPolarHBondContact CE-O 3.24Å; K148-L160 PolarHBondContact NZ-O 2.63Å; K148-A162 HydrophobicContact CB-CB 4.37Å
149	P	82.4	Confident	80.9	Confident	96 Å²	96	87.8 Å²	87.8	62%	0.623	50%	0.503	S	S	*	.	H	α-helix	trans	-63.7	-26.9	179.6	24.7	-35.4	0	0	0	113.6	R146	R146-P149 WeakPolarHBondContact O-CD 3.25Å
150	M	81.2	Confident	80.6	Confident	138 Å²	138	88.2 Å²	88.2	68%	0.68	51%	0.505	S	S	*	.	H	α-helix	trans	-76.6	-40.5	175.1	-174.7	177.6	-179.6	0	0	111	F147 K148	F147-M150 WeakPolarHBondContact O-CB 3.32Å; F147-M150 PolarHBondContact O-N 3.42Å; K148-M150 PolarHBondContact O-N 2.8Å
151	L	79.5	Confident	80.3	Confident	30 Å²	30	85.7 Å²	85.7	16%	0.157	48%	0.484	C	S	.	.	H	α-helix	trans	-84.9	-25.3	-172.4	-64.9	175.4	0	0	0	114.6	L143 F147 K148 S166 S169	L143-L151 HydrophobicContact CD1-CD1 3.65Å; L143-L151 HydrophobicContact CD2-CD1 4.24Å; L143-L151 HydrophobicContact CG-CD1 4.4Å; F147-L151 HydrophobicContact CB-CD1 3.87Å; F147-L151 HydrophobicContact CB-CG 4.26Å; F147-L151 WeakPolarHBondContact O-CG 3.31Å; F147-L151 PolarHBondContact O-N 3.19Å; K148-L151 PolarHBondContact O-N 3.39Å; K148-L151 VanDerWaalsContact O-N 3.16Å; L151-S166 VanDerWaalsContact O-CB 3.27Å; L151-S166 WeakPolarHBondContact O-CB 3.42Å; L151-S166 PolarHBondContact O-N 3.07Å; L151-S166 PolarHBondContact O-OG 3.25Å; L151-S169 WeakPolarHBondContact CA-OG 3.43Å; L151-S169 WeakPolarHBondContact CD2-OG 3.12Å; L151-S169 PolarHBondContact O-OG 3.28Å
152	Q	81.7	Confident	80.1	Confident	10 Å²	10	80.8 Å²	80.8	5%	0.047	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	35.3	-177.2	-65.9	-176.9	-0.7	0	0	111.6	K148 G154 I155 D161 W164	K148-Q152 HydrophobicContact CG-CG 4.41Å; K148-Q152 WeakPolarHBondContact O-CB 3.47Å; K148-Q152 PolarHBondContact O-N 2.94Å; Q152-G154 PolarHBondContact O-N 2.98Å; Q152-I155 HydrophobicContact CB-CB 4.29Å; Q152-I155 HydrophobicContact CB-CD1 4.17Å; Q152-I155 HydrophobicContact CG-CD1 4.33Å; Q152-I155 PolarHBondContact O-N 3.05Å; Q152-D161 PolarHBondContact NE2-O 3.47Å; Q152-W164 VanDerWaalsContact CG-O 3.3Å; Q152-W164 WeakPolarHBondContact CG-O 3.48Å; Q152-W164 PolarHBondContact NE2-O 3.46Å
153	H	75.8	Confident	80.2	Confident	107 Å²	107	75 Å²	75	50%	0.495	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	126.2	174.4	-159.6	81.4	0	0	0	109.9	N128	N128-H153 PolarHBondContact ND2-CD2 3.44Å; N128-H153 VanDerWaalsContact ND2-CD2 3.26Å; N128-H153 PolarHBondContact OD1-CD2 3.2Å
154	G	73.5	Confident	80.3	Confident	45 Å²	45	73.6 Å²	73.6	46%	0.464	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	4.8	-175.3	0	0	0	0	0	115.8	G133 Q152	G133-G154 WeakPolarHBondContact CA-O 3.36Å; Q152-G154 PolarHBondContact O-N 2.98Å
155	I	77.9	Confident	80.4	Confident	25 Å²	25	69.8 Å²	69.8	13%	0.128	39%	0.393	C	S	.	.			trans	-116.7	116.3	177	-58.1	157.4	0	0	0	109.3	V135 Q152 L157 L160	V135-I155 HydrophobicContact CG2-CD1 3.76Å; V135-I155 HydrophobicContact CG2-CG1 4.46Å; V135-I155 HydrophobicContact CG2-CG2 4.5Å; Q152-I155 HydrophobicContact CB-CB 4.29Å; Q152-I155 HydrophobicContact CB-CD1 4.17Å; Q152-I155 HydrophobicContact CG-CD1 4.33Å; Q152-I155 PolarHBondContact O-N 3.05Å; I155-L157 VanDerWaalsContact C-N 3.26Å; I155-L157 HydrophobicContact CG2-CB 4.07Å; I155-L157 HydrophobicContact CG2-CD1 4.16Å; I155-L157 PolarHBondContact O-N 3.39Å; I155-L160 HydrophobicContact CG2-CD2 4.47Å
156	A	74.1	Confident	80.8	Confident	107 Å²	107	63.8 Å²	63.8	88%	0.884	36%	0.362	S	S	*	.			trans	-81.6	7.1	-175.8	0	0	0	0	0	114.8	A158	A156-A158 PolarHBondContact O-N 2.76Å
157	L	74.1	Confident	81	Confident	96 Å²	96	53.1 Å²	53.1	50%	0.503	32%	0.322	S	S	.	.			trans	-87.9	90.5	-173.6	-74.9	150.3	0	0	0	112.2	K148 I155 S159 L160	K148-L157 PolarHBondContact NZ-O 3.07Å; I155-L157 VanDerWaalsContact C-N 3.26Å; I155-L157 HydrophobicContact CG2-CB 4.07Å; I155-L157 HydrophobicContact CG2-CD1 4.16Å; I155-L157 PolarHBondContact O-N 3.39Å; L157-S159 PolarHBondContact O-N 3.1Å; L157-S159 VanDerWaalsContact O-N 3.13Å; L157-L160 HydrophobicContact CB-CB 4.18Å; L157-L160 PolarHBondContact O-N 2.76Å
158	A	72.5	Confident	81.3	Confident	93 Å²	93	48.4 Å²	48.4	77%	0.769	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.1	179.1	0	0	0	0	0	114.7	K148 A156	K148-A158 PolarHBondContact NZ-O 2.71Å; A156-A158 PolarHBondContact O-N 2.76Å
159	S	78.3	Confident	81.8	Confident	112 Å²	112	48 Å²	48	78%	0.783	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-11.4	178.3	55.4	0	0	0	0	114.6	L157	L157-S159 PolarHBondContact O-N 3.1Å; L157-S159 VanDerWaalsContact O-N 3.13Å
160	L	81.5	Confident	82.2	Confident	18 Å²	18	45 Å²	45	9%	0.094	28%	0.28	C	S	.	.	S	Bend	trans	-68.9	139.4	-176.6	-165.9	67	0	0	0	111.5	L4 V135 K148 I155 L157 W164	L4-L160 HydrophobicContact CD1-CD1 3.75Å; L4-L160 HydrophobicContact CD2-CD1 4.11Å; V135-L160 HydrophobicContact CG2-CD2 3.67Å; K148-L160 VanDerWaalsContact CE-O 3.24Å; K148-L160 WeakPolarHBondContact CE-O 3.24Å; K148-L160 PolarHBondContact NZ-O 2.63Å; I155-L160 HydrophobicContact CG2-CD2 4.47Å; L157-L160 HydrophobicContact CB-CB 4.18Å; L157-L160 PolarHBondContact O-N 2.76Å; L160-W164 HydrophobicContact CD1-CB 4.38Å; L160-W164 HydrophobicContact CD1-CG 3.96Å; L160-W164 HydrophobicContact CD2-CB 3.58Å; L160-W164 HydrophobicContact CD2-CG 4.05Å; L160-W164 HydrophobicContact CG-CB 3.85Å; L160-W164 HydrophobicContact CG-CG 3.94Å
161	D	82.9	Confident	82.8	Confident	76 Å²	76	38.7 Å²	38.7	41%	0.406	25%	0.248	S	C	.	.			trans	-63.9	146	175.7	-175.3	23.4	0	0	0	111.1	Q152 S163 W164	Q152-D161 PolarHBondContact NE2-O 3.47Å; D161-S163 VanDerWaalsContact CG-OG 3.31Å; D161-S163 PolarHBondContact O-N 2.72Å; D161-S163 WeakPolarHBondContact OD2-CB 3.3Å; D161-S163 PolarHBondContact OD2-OG 2.9Å; D161-W164 PolarHBondContact O-N 3.36Å; D161-W164 VanDerWaalsContact O-N 3.14Å
162	A	84.3	Confident	83.2	Confident	2 Å²	2	40.3 Å²	40.3	2%	0.017	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.1	-178.4	0	0	0	0	0	113	L143 K148 W164	L143-A162 HydrophobicContact CB-CB 4.05Å; L143-A162 WeakPolarHBondContact CD1-O 3.3Å; K148-A162 HydrophobicContact CB-CB 4.37Å; A162-W164 PolarHBondContact O-N 2.72Å
163	S	86.4	Confident	83.6	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.021	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-23	171.6	60.4	0	0	0	0	113.3	K138 V139 D161	K138-S163 CarbonylContact C-O 3.5Å; K138-S163 WeakPolarHBondContact CA-O 3.19Å; V139-S163 WeakPolarHBondContact CG2-O 3.39Å; V139-S163 PolarHBondContact N-O 2.78Å; D161-S163 VanDerWaalsContact CG-OG 3.31Å; D161-S163 PolarHBondContact O-N 2.72Å; D161-S163 WeakPolarHBondContact OD2-CB 3.3Å; D161-S163 PolarHBondContact OD2-OG 2.9Å
164	W	86.8	Confident	84.3	Confident	18 Å²	18	38.8 Å²	38.8	7%	0.068	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	121.1	173.9	-65.2	97.8	0	0	0	110.4	L4 L6 V135 K138 Q152 L160 D161 A162	L4-W164 HydrophobicContact CB-CH2 3.68Å; L4-W164 HydrophobicContact CB-CZ2 3.82Å; L4-W164 HydrophobicContact CB-CZ3 4.27Å; L4-W164 HydrophobicContact CD1-CH2 4.49Å; L4-W164 HydrophobicContact CD1-CZ2 3.78Å; L4-W164 HydrophobicContact CG-CZ2 4.38Å; L6-W164 HydrophobicContact CD1-CE3 4.49Å; L6-W164 HydrophobicContact CD1-CZ3 3.73Å; L6-W164 HydrophobicContact CG-CZ3 4.23Å; V135-W164 HydrophobicContact CG1-CB 3.87Å; V135-W164 HydrophobicContact CG1-CD2 4.14Å; V135-W164 HydrophobicContact CG1-CE3 3.47Å; V135-W164 VanDerWaalsContact CG1-CE3 3.47Å; V135-W164 HydrophobicContact CG1-CG 4.35Å; V135-W164 HydrophobicContact CG1-CZ3 4.33Å; K138-W164 HydrophobicContact CB-CD2 4.05Å; K138-W164 HydrophobicContact CB-CE3 3.72Å; K138-W164 HydrophobicContact CB-CH2 4.15Å; K138-W164 HydrophobicContact CB-CZ2 4.41Å; K138-W164 HydrophobicContact CB-CZ3 3.79Å; K138-W164 HydrophobicContact CD-CH2 4.3Å; K138-W164 HydrophobicContact CD-CZ2 3.93Å; K138-W164 HydrophobicContact CG-CD2 4.29Å; K138-W164 HydrophobicContact CG-CE3 4.45Å; K138-W164 HydrophobicContact CG-CZ2 4.5Å; Q152-W164 VanDerWaalsContact CG-O 3.3Å; Q152-W164 WeakPolarHBondContact CG-O 3.48Å; Q152-W164 PolarHBondContact NE2-O 3.46Å; L160-W164 HydrophobicContact CD1-CB 4.38Å; L160-W164 HydrophobicContact CD1-CG 3.96Å; L160-W164 HydrophobicContact CD2-CB 3.58Å; L160-W164 HydrophobicContact CD2-CG 4.05Å; L160-W164 HydrophobicContact CG-CB 3.85Å; L160-W164 HydrophobicContact CG-CG 3.94Å; D161-W164 PolarHBondContact O-N 3.36Å; D161-W164 VanDerWaalsContact O-N 3.14Å; A162-W164 PolarHBondContact O-N 2.72Å
165	V	88.5	Confident	85	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	147.5	-171.3	-60.7	0	0	0	0	112.3	T136 T137 V139	T136-V165 PolarHBondContact N-O 3.38Å; T137-V165 HydrophobicContact CG2-CG2 3.51Å; T137-V165 WeakPolarHBondContact O-CG2 3.25Å; T137-V165 PolarHBondContact O-N 2.84Å; V139-V165 HydrophobicContact CG1-CG1 4.13Å; V139-V165 HydrophobicContact CG1-CG2 4.42Å
166	S	89.7	Confident	85.4	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.021	26%	0.26	C	S	.	.			trans	-74.2	172.6	171.7	74.4	0	0	0	0	112.3	L151 A168 S169 W170	L151-S166 VanDerWaalsContact O-CB 3.27Å; L151-S166 WeakPolarHBondContact O-CB 3.42Å; L151-S166 PolarHBondContact O-N 3.07Å; L151-S166 PolarHBondContact O-OG 3.25Å; S166-A168 VanDerWaalsContact C-N 3.35Å; S166-A168 PolarHBondContact O-N 3.3Å; S166-S169 WeakPolarHBondContact O-CB 3.19Å; S166-S169 PolarHBondContact O-N 3.37Å; S166-S169 PolarHBondContact OG-OG 2.89Å; S166-W170 PolarHBondContact O-N 3.21Å; S166-W170 VanDerWaalsContact O-N 3.09Å
167	S	88.9	Confident	86	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-39.5	176.2	57.2	0	0	0	0	112.9	F131 T136 S169 W170 Y171	F131-S167 WeakPolarHBondContact CB-OG 3.43Å; F131-S167 WeakPolarHBondContact O-CB 3.19Å; F131-S167 PolarHBondContact O-OG 3.42Å; T136-S167 VanDerWaalsContact OG1-CA 3.28Å; T136-S167 WeakPolarHBondContact OG1-CA 3.41Å; T136-S167 PolarHBondContact OG1-N 3.07Å; T136-S167 VanDerWaalsContact OG1-N 3.09Å; S167-S169 PolarHBondContact O-N 2.91Å; S167-W170 WeakPolarHBondContact O-CB 3.11Å; S167-W170 PolarHBondContact O-N 2.98Å; S167-Y171 PolarHBondContact O-N 3.48Å
168	A	88.6	Confident	86.7	Confident	10 Å²	10	36.9 Å²	36.9	8%	0.083	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-40.9	177.8	0	0	0	0	0	111.9	N128 S166 Y171 F172	N128-A168 HydrophobicContact CB-CB 3.98Å; S166-A168 VanDerWaalsContact C-N 3.35Å; S166-A168 PolarHBondContact O-N 3.3Å; A168-Y171 WeakPolarHBondContact O-CB 3.44Å; A168-Y171 PolarHBondContact O-N 3.4Å; A168-F172 WeakPolarHBondContact O-CD2 3.42Å; A168-F172 PolarHBondContact O-N 3.42Å
169	S	89.6	Confident	87.1	Confident	14 Å²	14	35 Å²	35	10%	0.098	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-40.9	175.3	-58.6	0	0	0	0	111.9	L151 S166 S167 Y171 F172 L173	L151-S169 WeakPolarHBondContact CA-OG 3.43Å; L151-S169 WeakPolarHBondContact CD2-OG 3.12Å; L151-S169 PolarHBondContact O-OG 3.28Å; S166-S169 WeakPolarHBondContact O-CB 3.19Å; S166-S169 PolarHBondContact O-N 3.37Å; S166-S169 PolarHBondContact OG-OG 2.89Å; S167-S169 PolarHBondContact O-N 2.91Å; S169-Y171 VanDerWaalsContact C-N 3.33Å; S169-F172 PolarHBondContact O-N 2.83Å; S169-L173 WeakPolarHBondContact O-CB 3.49Å; S169-L173 PolarHBondContact O-N 2.86Å
170	W	91.5	Very high	87.2	Confident	32 Å²	32	33.3 Å²	33.3	12%	0.121	18%	0.18	C	C	.	.	H	α-helix	trans	-61.7	-41.2	173.7	179.9	-120.1	0	0	0	111.7	F15 V19 T136 T137 S166 S167 L173 N174	F15-W170 HydrophobicContact CD1-CZ2 4.43Å; F15-W170 HydrophobicContact CD2-CD2 4.14Å; F15-W170 AromaticContact CD2-CE2 3.51Å; F15-W170 HydrophobicContact CD2-CH2 4.46Å; F15-W170 AromaticContact CD2-CZ2 3.73Å; F15-W170 HydrophobicContact CD2-CZ2 3.73Å; F15-W170 AromaticContact CD2-NE1 3.55Å; F15-W170 AromaticContact CE1-CZ2 3.86Å; F15-W170 HydrophobicContact CE1-CZ2 3.86Å; F15-W170 AromaticContact CE2-CD2 3.95Å; F15-W170 HydrophobicContact CE2-CD2 3.95Å; F15-W170 AromaticContact CE2-CE2 3.3Å; F15-W170 HydrophobicContact CE2-CE3 4.24Å; F15-W170 AromaticContact CE2-CH2 3.45Å; F15-W170 HydrophobicContact CE2-CH2 3.45Å; F15-W170 VanDerWaalsContact CE2-CH2 3.45Å; F15-W170 AromaticContact CE2-CZ2 3.05Å; F15-W170 HydrophobicContact CE2-CZ2 3.05Å; F15-W170 HydrophobicContact CE2-CZ3 4.01Å; F15-W170 AromaticContact CE2-NE1 3.85Å; F15-W170 HydrophobicContact CG-CZ2 4.38Å; F15-W170 AromaticContact CG-NE1 3.93Å; F15-W170 AromaticContact CZ-CE2 3.84Å; F15-W170 AromaticContact CZ-CH2 3.5Å; F15-W170 HydrophobicContact CZ-CH2 3.5Å; F15-W170 VanDerWaalsContact CZ-CH2 3.5Å; F15-W170 AromaticContact CZ-CZ2 3.12Å; F15-W170 HydrophobicContact CZ-CZ2 3.12Å; F15-W170 HydrophobicContact CZ-CZ3 4.45Å; F15-W170 PolarHBondContact O-NE1 2.94Å; V19-W170 HydrophobicContact CG2-CZ2 3.61Å; T136-W170 HydrophobicContact CG2-CB 4.25Å; T136-W170 HydrophobicContact CG2-CG 4.26Å; T137-W170 HydrophobicContact CG2-CD2 4.32Å; T137-W170 HydrophobicContact CG2-CE3 3.9Å; T137-W170 HydrophobicContact CG2-CZ3 4.49Å; S166-W170 PolarHBondContact O-N 3.21Å; S166-W170 VanDerWaalsContact O-N 3.09Å; S167-W170 WeakPolarHBondContact O-CB 3.11Å; S167-W170 PolarHBondContact O-N 2.98Å; W170-L173 HydrophobicContact CE3-CB 4.46Å; W170-L173 HydrophobicContact CE3-CD1 4.28Å; W170-L173 HydrophobicContact CE3-CD2 4.43Å; W170-L173 HydrophobicContact CZ3-CD1 4.18Å; W170-L173 HydrophobicContact CZ3-CD2 3.9Å; W170-L173 PolarHBondContact O-N 3.2Å; W170-N174 VanDerWaalsContact CD2-ND2 3.32Å; W170-N174 WeakPolarHBondContact CZ2-ND2 3.37Å; W170-N174 PolarHBondContact NE1-ND2 3.07Å; W170-N174 PolarHBondContact O-N 3.11Å; W170-N174 PolarHBondContact O-ND2 3.23Å
171	Y	92	Very high	87.4	Confident	7 Å²	7	36.9 Å²	36.9	3%	0.027	20%	0.198	C	C	.	.	H	α-helix	trans	-57	-53.1	172.4	166.2	-99.4	0	0	0	112	T22 M120 V123 I127 S167 A168 S169 L173 N174 V175	T22-Y171 HydrophobicContact CG2-CD2 3.18Å; T22-Y171 HydrophobicContact CG2-CE2 3.42Å; T22-Y171 VanDerWaalsContact CG2-CE2 3.42Å; T22-Y171 HydrophobicContact CG2-CG 4.32Å; M120-Y171 WeakPolarHBondContact CA-OH 3.49Å; M120-Y171 HydrophobicContact CG-CE1 4.38Å; M120-Y171 WeakPolarHBondContact O-CE1 3.25Å; M120-Y171 PolarHBondContact O-OH 3.12Å; M120-Y171 VanDerWaalsContact O-OH 3.11Å; V123-Y171 HydrophobicContact CB-CE2 4.28Å; V123-Y171 HydrophobicContact CG1-CD2 4.33Å; V123-Y171 HydrophobicContact CG1-CE2 3.54Å; I127-Y171 HydrophobicContact CD1-CD1 4.48Å; I127-Y171 HydrophobicContact CD1-CD2 3.16Å; I127-Y171 HydrophobicContact CD1-CE2 3.8Å; I127-Y171 HydrophobicContact CD1-CG 3.58Å; S167-Y171 PolarHBondContact O-N 3.48Å; A168-Y171 WeakPolarHBondContact O-CB 3.44Å; A168-Y171 PolarHBondContact O-N 3.4Å; S169-Y171 VanDerWaalsContact C-N 3.33Å; Y171-L173 VanDerWaalsContact C-N 3.3Å; Y171-L173 PolarHBondContact O-N 3.47Å; Y171-N174 WeakPolarHBondContact O-CB 3.2Å; Y171-N174 PolarHBondContact O-N 2.87Å; Y171-N174 VanDerWaalsContact O-N 3.07Å; Y171-V175 HydrophobicContact CD1-CG2 4.28Å; Y171-V175 HydrophobicContact CD2-CG2 4.13Å; Y171-V175 HydrophobicContact CE1-CG2 3.77Å; Y171-V175 HydrophobicContact CE2-CG2 3.61Å; Y171-V175 HydrophobicContact CG-CG2 4.44Å; Y171-V175 VanDerWaalsContact CZ-CG2 3.4Å; Y171-V175 WeakPolarHBondContact O-CG2 3.33Å; Y171-V175 PolarHBondContact O-N 3.39Å
172	F	88.5	Confident	87.4	Confident	63 Å²	63	33.9 Å²	33.9	28%	0.276	18%	0.181	S	C	.	.	H	α-helix	trans	-61	-39	180	-80.5	-68.2	0	0	0	112.3	M120 L121 A168 S169 N174 V175 F176	M120-F172 HydrophobicContact CE-CD1 3.42Å; M120-F172 VanDerWaalsContact CE-CD1 3.42Å; M120-F172 HydrophobicContact CE-CE1 3.54Å; M120-F172 HydrophobicContact CG-CE1 4.31Å; L121-F172 HydrophobicContact CD2-CZ 4.46Å; A168-F172 WeakPolarHBondContact O-CD2 3.42Å; A168-F172 PolarHBondContact O-N 3.42Å; S169-F172 PolarHBondContact O-N 2.83Å; F172-N174 VanDerWaalsContact C-N 3.34Å; F172-N174 PolarHBondContact O-N 3.49Å; F172-V175 PolarHBondContact O-N 3.34Å; F172-F176 HydrophobicContact CB-CE2 4.27Å; F172-F176 HydrophobicContact CD1-CE2 4.36Å; F172-F176 WeakPolarHBondContact O-CD2 3.24Å; F172-F176 PolarHBondContact O-N 2.87Å
173	L	90.4	Very high	87.2	Confident	73 Å²	73	35.6 Å²	35.6	38%	0.382	20%	0.195	S	C	.	.	H	α-helix	trans	-59.2	-45.5	173.7	-166.1	162.9	0	0	0	111	V139 S169 W170 Y171 F176 G177	V139-L173 HydrophobicContact CG1-CD1 4.17Å; S169-L173 WeakPolarHBondContact O-CB 3.49Å; S169-L173 PolarHBondContact O-N 2.86Å; W170-L173 HydrophobicContact CE3-CB 4.46Å; W170-L173 HydrophobicContact CE3-CD1 4.28Å; W170-L173 HydrophobicContact CE3-CD2 4.43Å; W170-L173 HydrophobicContact CZ3-CD1 4.18Å; W170-L173 HydrophobicContact CZ3-CD2 3.9Å; W170-L173 PolarHBondContact O-N 3.2Å; Y171-L173 VanDerWaalsContact C-N 3.3Å; Y171-L173 PolarHBondContact O-N 3.47Å; L173-F176 PolarHBondContact O-N 3.4Å; L173-G177 PolarHBondContact O-N 3.06Å
174	N	91.2	Very high	87.2	Confident	13 Å²	13	42.2 Å²	42.2	7%	0.07	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-41.5	175.5	-80.7	-81.1	0	0	0	112.7	V19 T22 W170 Y171 F172 F176 G177 L178	V19-N174 WeakPolarHBondContact CG2-OD1 3.47Å; T22-N174 HydrophobicContact CG2-CB 4.06Å; W170-N174 VanDerWaalsContact CD2-ND2 3.32Å; W170-N174 WeakPolarHBondContact CZ2-ND2 3.37Å; W170-N174 PolarHBondContact NE1-ND2 3.07Å; W170-N174 PolarHBondContact O-N 3.11Å; W170-N174 PolarHBondContact O-ND2 3.23Å; Y171-N174 WeakPolarHBondContact O-CB 3.2Å; Y171-N174 PolarHBondContact O-N 2.87Å; Y171-N174 VanDerWaalsContact O-N 3.07Å; F172-N174 VanDerWaalsContact C-N 3.34Å; F172-N174 PolarHBondContact O-N 3.49Å; N174-F176 VanDerWaalsContact C-N 3.31Å; N174-F176 PolarHBondContact O-N 3.41Å; N174-G177 PolarHBondContact O-N 3.26Å; N174-L178 HydrophobicContact CB-CD1 4.26Å; N174-L178 WeakPolarHBondContact O-CB 3.49Å; N174-L178 WeakPolarHBondContact O-CG 3.21Å; N174-L178 PolarHBondContact O-N 3.35Å
175	V	87.4	Confident	87	Confident	31 Å²	31	46.1 Å²	46.1	19%	0.188	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-42.4	178.7	174.5	0	0	0	0	111.3	T22 M120 Y171 F172	T22-V175 HydrophobicContact CG2-CG2 4.44Å; M120-V175 HydrophobicContact CE-CB 4.04Å; M120-V175 HydrophobicContact CE-CG1 3.47Å; M120-V175 VanDerWaalsContact CE-CG1 3.47Å; M120-V175 HydrophobicContact CG-CG1 4.17Å; M120-V175 HydrophobicContact SD-CG1 3.7Å; Y171-V175 HydrophobicContact CD1-CG2 4.28Å; Y171-V175 HydrophobicContact CD2-CG2 4.13Å; Y171-V175 HydrophobicContact CE1-CG2 3.77Å; Y171-V175 HydrophobicContact CE2-CG2 3.61Å; Y171-V175 HydrophobicContact CG-CG2 4.44Å; Y171-V175 VanDerWaalsContact CZ-CG2 3.4Å; Y171-V175 WeakPolarHBondContact O-CG2 3.33Å; Y171-V175 PolarHBondContact O-N 3.39Å; F172-V175 PolarHBondContact O-N 3.34Å
176	F	85.9	Confident	86.5	Confident	142 Å²	142	47.6 Å²	47.6	62%	0.623	26%	0.258	S	S	*	.	H	α-helix	trans	-74.8	-37.1	177.8	-63.1	-52.1	0	0	0	112.8	M120 F172 L173 N174	M120-F176 HydrophobicContact CE-CE1 3.86Å; M120-F176 HydrophobicContact CE-CE2 4.38Å; M120-F176 HydrophobicContact CE-CZ 3.71Å; F172-F176 HydrophobicContact CB-CE2 4.27Å; F172-F176 HydrophobicContact CD1-CE2 4.36Å; F172-F176 WeakPolarHBondContact O-CD2 3.24Å; F172-F176 PolarHBondContact O-N 2.87Å; L173-F176 PolarHBondContact O-N 3.4Å; N174-F176 VanDerWaalsContact C-N 3.31Å; N174-F176 PolarHBondContact O-N 3.41Å
177	G	88.1	Confident	85.6	Confident	42 Å²	42	49 Å²	49	43%	0.433	27%	0.273	S	S	.	.	H	α-helix	trans	-76.3	-37.1	-178.2	0	0	0	0	0	114.6	L173 N174 R179 S180	L173-G177 PolarHBondContact O-N 3.06Å; N174-G177 PolarHBondContact O-N 3.26Å; G177-R179 PolarHBondContact O-N 3.47Å; G177-S180 PolarHBondContact O-OG 2.94Å
178	L	87.1	Confident	84.4	Confident	18 Å²	18	57.5 Å²	57.5	9%	0.094	31%	0.313	C	S	.	.	H	α-helix	trans	-72.9	-9.8	-179.5	-70.5	175	0	0	0	113.3	T22 F23 N174 S180 M181 Y182	T22-L178 VanDerWaalsContact OG1-CD1 3.24Å; T22-L178 WeakPolarHBondContact OG1-CD1 3.37Å; F23-L178 HydrophobicContact CB-CD1 4.21Å; N174-L178 HydrophobicContact CB-CD1 4.26Å; N174-L178 WeakPolarHBondContact O-CB 3.49Å; N174-L178 WeakPolarHBondContact O-CG 3.21Å; N174-L178 PolarHBondContact O-N 3.35Å; L178-S180 PolarHBondContact O-N 2.89Å; L178-M181 HydrophobicContact CD2-CG 4.47Å; L178-M181 HydrophobicContact CD2-SD 4.44Å; L178-M181 WeakPolarHBondContact O-CA 3.47Å; L178-M181 WeakPolarHBondContact O-CB 3.36Å; L178-M181 PolarHBondContact O-N 2.84Å; L178-M181 VanDerWaalsContact O-N 3.07Å; L178-Y182 HydrophobicContact CB-CE2 3.93Å; L178-Y182 VanDerWaalsContact O-CD2 3.3Å; L178-Y182 WeakPolarHBondContact O-CD2 3.44Å; L178-Y182 PolarHBondContact O-N 2.98Å
179	R	80.7	Confident	83	Confident	52 Å²	52	64.8 Å²	64.8	20%	0.196	35%	0.345	C	S	.	.	H	α-helix	trans	-62.3	-42.4	-176.1	-172.1	164.6	170.2	-142.1	-45.3	113.5	G177 M181 Y182 A183 D193 T195	G177-R179 PolarHBondContact O-N 3.47Å; R179-M181 VanDerWaalsContact C-N 3.31Å; R179-Y182 PolarHBondContact O-N 3.39Å; R179-A183 PolarHBondContact O-N 2.84Å; R179-D193 IonicContact CZ-OD1 3.64Å; R179-D193 IonicContact NE-OD1 3.97Å; R179-D193 PolarHBondContact NE-OD1 2.88Å; R179-D193 VanDerWaalsContact NH2-CG 3.27Å; R179-D193 IonicContact NH2-OD1 2.69Å; R179-D193 PolarHBondContact NH2-OD1 2.91Å; R179-D193 IonicContact NH2-OD2 3.97Å; R179-T195 VanDerWaalsContact NH1-N 3.14Å; R179-T195 PolarHBondContact NH1-OG1 3.35Å; R179-T195 VanDerWaalsContact NH2-CA 3.32Å; R179-T195 PolarHBondContact NH2-OG1 3.26Å
180	S	81.8	Confident	81.4	Confident	77 Å²	77	64.8 Å²	64.8	54%	0.538	34%	0.344	S	S	.	.	H	α-helix	trans	-67.3	-33.4	173.4	57.7	0	0	0	0	112	G177 L178 A183 L184	G177-S180 PolarHBondContact O-OG 2.94Å; L178-S180 PolarHBondContact O-N 2.89Å; S180-A183 WeakPolarHBondContact O-CB 3.36Å; S180-A183 PolarHBondContact O-N 3.07Å; S180-L184 PolarHBondContact O-N 3.41Å
181	M	84.7	Confident	79.7	Confident	94 Å²	94	65.6 Å²	65.6	46%	0.463	36%	0.358	S	S	.	.	H	α-helix	trans	-67.3	-39.3	175.7	-61.9	-137.8	75.8	0	0	112	L178 R179 A183 L184 I185	L178-M181 HydrophobicContact CD2-CG 4.47Å; L178-M181 HydrophobicContact CD2-SD 4.44Å; L178-M181 WeakPolarHBondContact O-CA 3.47Å; L178-M181 WeakPolarHBondContact O-CB 3.36Å; L178-M181 PolarHBondContact O-N 2.84Å; L178-M181 VanDerWaalsContact O-N 3.07Å; R179-M181 VanDerWaalsContact C-N 3.31Å; M181-A183 VanDerWaalsContact C-N 3.3Å; M181-A183 PolarHBondContact O-N 3.45Å; M181-L184 PolarHBondContact O-N 3.37Å; M181-I185 WeakPolarHBondContact O-CG1 3.22Å; M181-I185 PolarHBondContact O-N 2.8Å; M181-I185 VanDerWaalsContact O-N 3.09Å
182	Y	83.8	Confident	77.7	Confident	13 Å²	13	65.6 Å²	65.6	5%	0.051	36%	0.359	C	S	.	.	H	α-helix	trans	-58.9	-44.7	173.2	-63.1	-43.5	0	0	0	110.9	T22 F23 V27 L178 R179 L184 I185 L186 N190	T22-Y182 PolarHBondContact O-OH 3.35Å; F23-Y182 VanDerWaalsContact CA-OH 3.24Å; F23-Y182 WeakPolarHBondContact CA-OH 3.17Å; F23-Y182 HydrophobicContact CD2-CD1 4.33Å; F23-Y182 AromaticContact CD2-CE1 3.61Å; F23-Y182 HydrophobicContact CD2-CE1 3.61Å; F23-Y182 HydrophobicContact CE2-CD1 4.2Å; F23-Y182 AromaticContact CE2-CE1 3.9Å; F23-Y182 HydrophobicContact CE2-CE1 3.9Å; F23-Y182 HydrophobicContact CG-CE1 4.42Å; F23-Y182 PolarHBondContact O-OH 3.02Å; V27-Y182 HydrophobicContact CG2-CE1 4.43Å; L178-Y182 HydrophobicContact CB-CE2 3.93Å; L178-Y182 VanDerWaalsContact O-CD2 3.3Å; L178-Y182 WeakPolarHBondContact O-CD2 3.44Å; L178-Y182 PolarHBondContact O-N 2.98Å; R179-Y182 PolarHBondContact O-N 3.39Å; Y182-L184 PolarHBondContact O-N 2.86Å; Y182-I185 PolarHBondContact O-N 3.41Å; Y182-I185 VanDerWaalsContact O-N 3.12Å; Y182-L186 WeakPolarHBondContact O-CB 3.45Å; Y182-L186 PolarHBondContact O-N 2.97Å; Y182-N190 PolarHBondContact O-ND2 3.11Å
183	A	80.5	Confident	76.2	Confident	38 Å²	38	64.8 Å²	64.8	31%	0.314	36%	0.357	S	S	.	.	H	α-helix	trans	-58	-36.5	178.6	0	0	0	0	0	112.5	R179 S180 M181 G187 N190	R179-A183 PolarHBondContact O-N 2.84Å; S180-A183 WeakPolarHBondContact O-CB 3.36Å; S180-A183 PolarHBondContact O-N 3.07Å; M181-A183 VanDerWaalsContact C-N 3.3Å; M181-A183 PolarHBondContact O-N 3.45Å; A183-G187 CarbonylContact O-C 3.58Å; A183-G187 WeakPolarHBondContact O-CA 3.45Å; A183-G187 PolarHBondContact O-N 3.27Å; A183-N190 VanDerWaalsContact CA-ND2 3.3Å; A183-N190 WeakPolarHBondContact CA-ND2 3.02Å; A183-N190 PolarHBondContact N-ND2 3.4Å; A183-N190 VanDerWaalsContact N-ND2 3.12Å
184	L	84.9	Confident	74.6	Confident	142 Å²	142	64 Å²	64	74%	0.743	35%	0.352	S	S	*	.	H	α-helix	trans	-71	-37.1	175.8	-70	167.5	0	0	0	113.2	S180 M181 Y182	S180-L184 PolarHBondContact O-N 3.41Å; M181-L184 PolarHBondContact O-N 3.37Å; Y182-L184 PolarHBondContact O-N 2.86Å
185	I	84	Confident	72.8	Confident	99 Å²	99	66.6 Å²	66.6	51%	0.508	37%	0.368	S	S	.	.	H	α-helix	trans	-85.8	-40.8	-173.6	-65.2	165.6	0	0	0	112.2	F23 M181 Y182	F23-I185 HydrophobicContact CE2-CD1 3.67Å; F23-I185 HydrophobicContact CZ-CD1 3.82Å; M181-I185 WeakPolarHBondContact O-CG1 3.22Å; M181-I185 PolarHBondContact O-N 2.8Å; M181-I185 VanDerWaalsContact O-N 3.09Å; Y182-I185 PolarHBondContact O-N 3.41Å; Y182-I185 VanDerWaalsContact O-N 3.12Å
186	L	77.4	Confident	71.2	Confident	36 Å²	36	70.5 Å²	70.5	19%	0.188	38%	0.382	C	S	.	.	H	α-helix	trans	-100	-5.4	-173.7	-59.4	166.6	0	0	0	112.7	H30 Y182 N190	H30-L186 HydrophobicContact CB-CD1 3.93Å; Y182-L186 WeakPolarHBondContact O-CB 3.45Å; Y182-L186 PolarHBondContact O-N 2.97Å; L186-N190 VanDerWaalsContact CD1-OD1 3.27Å; L186-N190 WeakPolarHBondContact CD1-OD1 3.27Å
187	G	71.5	Confident	69.6	Low	32 Å²	32	70.4 Å²	70.4	33%	0.33	39%	0.386	S	S	.	.			trans	79.1	-174.6	-179.4	0	0	0	0	0	114.2	A183 E189 N190	A183-G187 CarbonylContact O-C 3.58Å; A183-G187 WeakPolarHBondContact O-CA 3.45Å; A183-G187 PolarHBondContact O-N 3.27Å; G187-E189 PolarHBondContact O-N 3.07Å; G187-N190 PolarHBondContact O-N 2.9Å
188	E	63.1	Low	68	Low	180 Å²	180	74.8 Å²	74.8	84%	0.841	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-17.5	-175.6	-69.1	-168.7	140.2	0	0	114	N190	E188-N190 PolarHBondContact O-N 3Å
189	E	58.8	Low	66.4	Low	163 Å²	163	79.4 Å²	79.4	76%	0.762	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	16.4	174	-65.3	-161.7	156.7	0	0	113.4	G187 A191	G187-E189 PolarHBondContact O-N 3.07Å; E189-A191 VanDerWaalsContact C-N 3.31Å; E189-A191 PolarHBondContact O-N 3.35Å
190	N	56.6	Low	65.1	Low	13 Å²	13	82.1 Å²	82.1	7%	0.07	43%	0.433	C	S	.	.			trans	-67.5	90.1	173.1	-111.2	-27.3	0	0	0	111.6	H30 Y182 A183 L186 G187 E188 A192 D193	H30-N190 PolarHBondContact CE1-OD1 2.85Å; H30-N190 PolarHBondContact ND1-OD1 2.93Å; Y182-N190 PolarHBondContact O-ND2 3.11Å; A183-N190 VanDerWaalsContact CA-ND2 3.3Å; A183-N190 WeakPolarHBondContact CA-ND2 3.02Å; A183-N190 PolarHBondContact N-ND2 3.4Å; A183-N190 VanDerWaalsContact N-ND2 3.12Å; L186-N190 VanDerWaalsContact CD1-OD1 3.27Å; L186-N190 WeakPolarHBondContact CD1-OD1 3.27Å; G187-N190 PolarHBondContact O-N 2.9Å; E188-N190 PolarHBondContact O-N 3Å; N190-A192 HydrophobicContact CB-CB 4.33Å; N190-A192 PolarHBondContact O-N 3.47Å; N190-D193 PolarHBondContact O-N 2.93Å
191	A	54.5	Low	63.5	Low	50 Å²	50	84.2 Å²	84.2	41%	0.413	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-6.7	162.3	0	0	0	0	0	113.3	E189 D193	E189-A191 VanDerWaalsContact C-N 3.31Å; E189-A191 PolarHBondContact O-N 3.35Å; A191-D193 VanDerWaalsContact C-N 3.32Å
192	A	50.5	Low	61.7	Low	6 Å²	6	87.4 Å²	87.4	5%	0.05	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-18.1	171	0	0	0	0	0	114.5	N190 Q194	N190-A192 HydrophobicContact CB-CB 4.33Å; N190-A192 PolarHBondContact O-N 3.47Å; A192-Q194 PolarHBondContact O-N 2.97Å
193	D	56.3	Low	59.9	Low	46 Å²	46	93 Å²	93	25%	0.246	48%	0.48	C	S	.	.			trans	-87.9	69.6	-166.1	-144.7	31.7	0	0	0	113.5	R179 N190 A191 T195 K196	R179-D193 IonicContact CZ-OD1 3.64Å; R179-D193 IonicContact NE-OD1 3.97Å; R179-D193 PolarHBondContact NE-OD1 2.88Å; R179-D193 VanDerWaalsContact NH2-CG 3.27Å; R179-D193 IonicContact NH2-OD1 2.69Å; R179-D193 PolarHBondContact NH2-OD1 2.91Å; R179-D193 IonicContact NH2-OD2 3.97Å; N190-D193 PolarHBondContact O-N 2.93Å; A191-D193 VanDerWaalsContact C-N 3.32Å; D193-T195 PolarHBondContact O-N 3.21Å; D193-T195 VanDerWaalsContact O-N 3.1Å; D193-K196 PolarHBondContact O-N 3.36Å
194	Q	56.7	Low	58	Low	58 Å²	58	95 Å²	95	27%	0.271	49%	0.485	S	S	.	.	H	α-helix	trans	-59.5	-19.7	-176.5	-70.4	-174.1	-38.7	0	0	116.1	A192 M197 M198	A192-Q194 PolarHBondContact O-N 2.97Å; Q194-M197 PolarHBondContact O-N 3.09Å; Q194-M198 VanDerWaalsContact O-CB 3.24Å; Q194-M198 WeakPolarHBondContact O-CB 3.4Å; Q194-M198 PolarHBondContact O-N 3.39Å
195	T	54.2	Low	55.7	Low	67 Å²	67	92.3 Å²	92.3	41%	0.411	48%	0.477	S	S	.	.	H	α-helix	trans	-71.3	-34.8	176	-51.4	0	0	0	0	109.4	R179 D193 M198 Q199	R179-T195 VanDerWaalsContact NH1-N 3.14Å; R179-T195 PolarHBondContact NH1-OG1 3.35Å; R179-T195 VanDerWaalsContact NH2-CA 3.32Å; R179-T195 PolarHBondContact NH2-OG1 3.26Å; D193-T195 PolarHBondContact O-N 3.21Å; D193-T195 VanDerWaalsContact O-N 3.1Å; T195-M198 PolarHBondContact O-N 3.25Å; T195-Q199 HydrophobicContact CG2-CB 4.37Å; T195-Q199 WeakPolarHBondContact O-CA 3.35Å; T195-Q199 WeakPolarHBondContact O-CB 3.18Å; T195-Q199 PolarHBondContact O-N 3.41Å
196	K	54	Low	53.5	Low	112 Å²	112	91.4 Å²	91.4	49%	0.487	48%	0.484	S	S	.	.	H	α-helix	trans	-62.2	-48	172.1	-81	-174.3	177.9	-179.3	0	109.8	D193 M198 E200	D193-K196 PolarHBondContact O-N 3.36Å; K196-M198 PolarHBondContact O-N 2.95Å; K196-E200 WeakPolarHBondContact O-CA 3.48Å; K196-E200 WeakPolarHBondContact O-CB 3.34Å; K196-E200 WeakPolarHBondContact O-CG 3.41Å; K196-E200 PolarHBondContact O-N 3.33Å
197	M	52.6	Low	51.7	Low	140 Å²	140	94.7 Å²	94.7	69%	0.69	51%	0.505	S	S	*	.	H	α-helix	trans	-65	-38.9	177.6	-78.7	-167.4	157.6	0	0	114.2	Q194 Q201	Q194-M197 PolarHBondContact O-N 3.09Å; M197-Q201 WeakPolarHBondContact O-CB 3.46Å; M197-Q201 PolarHBondContact O-N 2.95Å
198	M	54.1	Low	50.2	Low	135 Å²	135	95.9 Å²	95.9	67%	0.665	51%	0.512	S	S	*	.	H	α-helix	trans	-77.6	-35.4	-179.1	-172.5	166.5	167.1	0	0	112	Q194 T195 K196 Q201 M202	Q194-M198 VanDerWaalsContact O-CB 3.24Å; Q194-M198 WeakPolarHBondContact O-CB 3.4Å; Q194-M198 PolarHBondContact O-N 3.39Å; T195-M198 PolarHBondContact O-N 3.25Å; K196-M198 PolarHBondContact O-N 2.95Å; M198-Q201 PolarHBondContact O-N 2.85Å; M198-M202 WeakPolarHBondContact O-CB 3.23Å; M198-M202 PolarHBondContact O-N 3.41Å
199	Q	54.6	Low	49.2	Very low	114 Å²	114	93.4 Å²	93.4	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-75.7	-34.9	174.9	-160.5	167.6	11.8	0	0	110.5	T195 M202 N203	T195-Q199 HydrophobicContact CG2-CB 4.37Å; T195-Q199 WeakPolarHBondContact O-CA 3.35Å; T195-Q199 WeakPolarHBondContact O-CB 3.18Å; T195-Q199 PolarHBondContact O-N 3.41Å; Q199-M202 PolarHBondContact O-N 2.62Å; Q199-N203 VanDerWaalsContact O-CB 3.25Å; Q199-N203 WeakPolarHBondContact O-CB 3.21Å; Q199-N203 PolarHBondContact O-N 3.33Å
200	E	51.8	Low	48.5	Very low	110 Å²	110	90 Å²	90	51%	0.514	49%	0.494	S	S	.	.	H	α-helix	trans	-61.7	-47.1	165.4	-81.8	176.4	164.4	0	0	109.8	K196 M202 N203 L204	K196-E200 WeakPolarHBondContact O-CA 3.48Å; K196-E200 WeakPolarHBondContact O-CB 3.34Å; K196-E200 WeakPolarHBondContact O-CG 3.41Å; K196-E200 PolarHBondContact O-N 3.33Å; E200-M202 PolarHBondContact O-N 3.49Å; E200-N203 PolarHBondContact O-N 3.28Å; E200-L204 HydrophobicContact CB-CD1 3.86Å; E200-L204 HydrophobicContact CG-CD1 4.25Å; E200-L204 WeakPolarHBondContact O-CA 3.29Å; E200-L204 WeakPolarHBondContact O-CB 3.44Å; E200-L204 WeakPolarHBondContact O-CD1 3.47Å; E200-L204 WeakPolarHBondContact O-CG 3.28Å; E200-L204 PolarHBondContact O-N 3.47Å
201	Q	47.8	Very low	48.2	Very low	120 Å²	120	94 Å²	94	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-64.8	-25.7	179.4	-169.3	169.5	-3.4	0	0	113.7	M197 M198	M197-Q201 WeakPolarHBondContact O-CB 3.46Å; M197-Q201 PolarHBondContact O-N 2.95Å; M198-Q201 PolarHBondContact O-N 2.85Å
202	M	47.4	Very low	48.3	Very low	162 Å²	162	94.1 Å²	94.1	80%	0.798	51%	0.506	S	S	*	.	H	α-helix	trans	-96.8	-24.7	-179.6	-141.9	175.3	-175.4	0	0	113.9	M198 Q199 E200	M198-M202 WeakPolarHBondContact O-CB 3.23Å; M198-M202 PolarHBondContact O-N 3.41Å; Q199-M202 PolarHBondContact O-N 2.62Å; E200-M202 PolarHBondContact O-N 3.49Å
203	N	46.8	Very low	49.1	Very low	130 Å²	130	96 Å²	96	70%	0.695	52%	0.518	S	S	*	.	H	α-helix	trans	-101	-5.2	172.9	-88	-5.1	0	0	0	113.7	Q199 E200 P205	Q199-N203 VanDerWaalsContact O-CB 3.25Å; Q199-N203 WeakPolarHBondContact O-CB 3.21Å; Q199-N203 PolarHBondContact O-N 3.33Å; E200-N203 PolarHBondContact O-N 3.28Å; N203-P205 VanDerWaalsContact O-CD 3.3Å; N203-P205 WeakPolarHBondContact O-CD 3.49Å
204	L	40.3	Very low	49.9	Very low	80 Å²	80	98.1 Å²	98.1	42%	0.419	52%	0.522	S	S	.	.	S	Bend	trans	-68.7	120.2	167.5	-102.8	59.4	0	0	0	106.9	E200 A206 A208	E200-L204 HydrophobicContact CB-CD1 3.86Å; E200-L204 HydrophobicContact CG-CD1 4.25Å; E200-L204 WeakPolarHBondContact O-CA 3.29Å; E200-L204 WeakPolarHBondContact O-CB 3.44Å; E200-L204 WeakPolarHBondContact O-CD1 3.47Å; E200-L204 WeakPolarHBondContact O-CG 3.28Å; E200-L204 PolarHBondContact O-N 3.47Å; L204-A206 PolarHBondContact O-N 3.09Å; L204-A208 HydrophobicContact CB-CB 4.23Å; L204-A208 HydrophobicContact CD2-CB 3.35Å; L204-A208 HydrophobicContact CG-CB 3.68Å
205	P	35.9	Very low	50.9	Low	86 Å²	86	101 Å²	101	56%	0.558	54%	0.535	S	S	*	.			trans	-53.9	141.9	162.7	23.1	-28.2	0	0	0	107	N203 T207 A208	N203-P205 VanDerWaalsContact O-CD 3.3Å; N203-P205 WeakPolarHBondContact O-CD 3.49Å; P205-T207 WeakPolarHBondContact CG-OG1 3.41Å; P205-T207 PolarHBondContact O-N 3.27Å; P205-T207 PolarHBondContact O-OG1 3.09Å; P205-A208 PolarHBondContact O-N 2.95Å; P205-A208 VanDerWaalsContact O-N 3.1Å
206	A	38	Very low	52.2	Low	79 Å²	79	99.3 Å²	99.3	65%	0.653	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	3.9	-178.2	0	0	0	0	0	115	L204 Q211	L204-A206 PolarHBondContact O-N 3.09Å; A206-Q211 PolarHBondContact O-NE2 3.21Å
207	T	39.2	Very low	53.6	Low	105 Å²	105	94 Å²	94	64%	0.644	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-5.4	172.4	52.6	0	0	0	0	114.6	P205	P205-T207 WeakPolarHBondContact CG-OG1 3.41Å; P205-T207 PolarHBondContact O-N 3.27Å; P205-T207 PolarHBondContact O-OG1 3.09Å
208	A	41.8	Very low	55.1	Low	57 Å²	57	92.4 Å²	92.4	47%	0.471	49%	0.494	S	S	.	.	S	Bend	trans	-109.9	4.8	-179.4	0	0	0	0	0	115	L204 P205	L204-A208 HydrophobicContact CB-CB 4.23Å; L204-A208 HydrophobicContact CD2-CB 3.35Å; L204-A208 HydrophobicContact CG-CB 3.68Å; P205-A208 PolarHBondContact O-N 2.95Å; P205-A208 VanDerWaalsContact O-N 3.1Å
209	M	41.8	Very low	56.6	Low	129 Å²	129	88.6 Å²	88.6	64%	0.635	49%	0.485	S	S	*	.	S	Bend	trans	-64.5	152.9	153.3	-67.2	-145.7	-169.9	0	0	108.3	Q211	M209-Q211 PolarHBondContact O-N 3.27Å
210	P	44.1	Very low	58.2	Low	90 Å²	90	84.1 Å²	84.1	58%	0.584	46%	0.463	S	S	*	.			trans	-63.6	80.5	170.2	-4.2	18.2	0	0	0	107.6	D212	P210-D212 PolarHBondContact O-N 2.99Å
211	Q	48.9	Very low	59.8	Low	99 Å²	99	81.3 Å²	81.3	46%	0.463	45%	0.448	S	S	.	.			trans	-68.1	132.2	175.7	-70.4	-139.8	-15.3	0	0	105.6	A206 M209	A206-Q211 PolarHBondContact O-NE2 3.21Å; M209-Q211 PolarHBondContact O-N 3.27Å
212	D	57.9	Low	61.7	Low	52 Å²	52	79.6 Å²	79.6	28%	0.278	44%	0.44	S	S	.	.			trans	-23	117.5	175.3	-157	25.4	0	0	0	111.2	N94 P210 R214 H215 A216	N94-D212 PolarHBondContact ND2-OD1 3.18Å; N94-D212 PolarHBondContact ND2-OD2 3.49Å; N94-D212 PolarHBondContact OD1-OD1 2.99Å; N94-D212 VanDerWaalsContact OD1-OD1 3.12Å; P210-D212 PolarHBondContact O-N 2.99Å; D212-R214 CarbonylContact O-C 3.55Å; D212-R214 PolarHBondContact O-N 3.47Å; D212-H215 WeakPolarHBondContact O-CA 3.37Å; D212-H215 WeakPolarHBondContact O-CB 3.38Å; D212-H215 PolarHBondContact O-N 3.41Å; D212-A216 PolarHBondContact O-N 3.2Å
213	P	67	Low	63.7	Low	45 Å²	45	73.5 Å²	73.5	29%	0.292	42%	0.416	S	S	.	.	H	α-helix	trans	-52.1	-32.3	-168.6	15.7	-29.3	0	0	0	112	H215 A216 F217	P213-H215 PolarHBondContact O-N 3.11Å; P213-A216 PolarHBondContact O-N 2.91Å; P213-F217 HydrophobicContact CB-CD2 4.27Å; P213-F217 HydrophobicContact CB-CE2 4Å; P213-F217 WeakPolarHBondContact O-CD2 3.44Å; P213-F217 WeakPolarHBondContact O-CG 3.44Å; P213-F217 PolarHBondContact O-N 3.05Å
214	R	73.8	Confident	65.6	Low	91 Å²	91	67.3 Å²	67.3	34%	0.343	38%	0.383	S	S	.	.	H	α-helix	trans	-55.3	-47.1	171.3	-74.9	-175.3	-179.3	-170	-17.6	114.7	Q90 Q91 R92 N94 D212 A216 F217 K218	Q90-R214 VanDerWaalsContact O-CD 3.3Å; Q90-R214 WeakPolarHBondContact O-CD 3.4Å; Q90-R214 VanDerWaalsContact O-CG 3.25Å; Q90-R214 WeakPolarHBondContact O-CG 3.16Å; Q90-R214 PolarHBondContact O-NE 3.39Å; Q91-R214 PolarHBondContact O-NH2 3.39Å; Q91-R214 VanDerWaalsContact O-NH2 3.12Å; R92-R214 PolarHBondContact O-NE 3.29Å; R92-R214 PolarHBondContact O-NH2 3.48Å; R92-R214 VanDerWaalsContact O-NH2 3.13Å; N94-R214 VanDerWaalsContact ND2-CD 3.32Å; N94-R214 WeakPolarHBondContact ND2-CD 3.41Å; N94-R214 WeakPolarHBondContact OD1-CD 3.43Å; N94-R214 WeakPolarHBondContact OD1-CG 3.46Å; D212-R214 CarbonylContact O-C 3.55Å; D212-R214 PolarHBondContact O-N 3.47Å; R214-A216 VanDerWaalsContact C-N 3.34Å; R214-F217 PolarHBondContact O-N 3.26Å; R214-K218 WeakPolarHBondContact O-CB 3.27Å; R214-K218 PolarHBondContact O-N 2.96Å
215	H	77.6	Confident	67.7	Low	118 Å²	118	67.5 Å²	67.5	55%	0.546	38%	0.381	S	S	.	.	H	α-helix	trans	-64.6	-41.6	177.9	-98.5	-80.9	0	0	0	111.1	D212 P213 K218 A219	D212-H215 WeakPolarHBondContact O-CA 3.37Å; D212-H215 WeakPolarHBondContact O-CB 3.38Å; D212-H215 PolarHBondContact O-N 3.41Å; P213-H215 PolarHBondContact O-N 3.11Å; H215-K218 PolarHBondContact O-N 3.16Å; H215-A219 WeakPolarHBondContact O-CB 3.06Å; H215-A219 PolarHBondContact O-N 2.97Å
216	A	80	Confident	70.2	Confident	32 Å²	32	70.5 Å²	70.5	26%	0.264	39%	0.392	S	S	.	.	H	α-helix	trans	-62.5	-45.4	176.1	0	0	0	0	0	111.9	L53 D212 P213 R214 K218 A219 E220	L53-A216 HydrophobicContact CD1-CB 4.01Å; D212-A216 PolarHBondContact O-N 3.2Å; P213-A216 PolarHBondContact O-N 2.91Å; R214-A216 VanDerWaalsContact C-N 3.34Å; A216-K218 PolarHBondContact O-N 2.95Å; A216-A219 PolarHBondContact O-N 2.9Å; A216-E220 PolarHBondContact O-N 2.89Å
217	F	84.2	Confident	72.4	Confident	1 Å²	1	69.5 Å²	69.5	0%	0.004	37%	0.373	C	S	.	.	H	α-helix	trans	-65.4	-36	176.6	-71.9	-57.6	0	0	0	113.1	D49 L53 L86 A89 Q90 P213 R214 W221	D49-F217 HydrophobicContact CB-CE2 4.35Å; D49-F217 HydrophobicContact CB-CZ 3.66Å; L53-F217 HydrophobicContact CD1-CE1 4.18Å; L53-F217 HydrophobicContact CD1-CZ 4.45Å; L53-F217 HydrophobicContact CD2-CD1 3.47Å; L53-F217 VanDerWaalsContact CD2-CD1 3.47Å; L53-F217 HydrophobicContact CD2-CE1 3.7Å; L53-F217 HydrophobicContact CD2-CG 4.3Å; L53-F217 HydrophobicContact CG-CD1 4Å; L53-F217 HydrophobicContact CG-CE1 3.67Å; L53-F217 HydrophobicContact CG-CZ 4.37Å; L86-F217 HydrophobicContact CD2-CD1 3.7Å; L86-F217 HydrophobicContact CD2-CE1 4.28Å; A89-F217 HydrophobicContact CB-CD1 3.98Å; A89-F217 HydrophobicContact CB-CD2 3.75Å; A89-F217 HydrophobicContact CB-CE1 3.85Å; A89-F217 HydrophobicContact CB-CE2 3.63Å; A89-F217 HydrophobicContact CB-CG 3.95Å; A89-F217 HydrophobicContact CB-CZ 3.66Å; Q90-F217 HydrophobicContact CG-CB 3.65Å; Q90-F217 PolarHBondContact NE2-O 2.91Å; P213-F217 HydrophobicContact CB-CD2 4.27Å; P213-F217 HydrophobicContact CB-CE2 4Å; P213-F217 WeakPolarHBondContact O-CD2 3.44Å; P213-F217 WeakPolarHBondContact O-CG 3.44Å; P213-F217 PolarHBondContact O-N 3.05Å; R214-F217 PolarHBondContact O-N 3.26Å; F217-W221 VanDerWaalsContact O-CB 3.31Å; F217-W221 WeakPolarHBondContact O-CB 3.48Å; F217-W221 PolarHBondContact O-N 2.91Å
218	K	84.7	Confident	74.5	Confident	105 Å²	105	70 Å²	70	46%	0.457	37%	0.372	S	S	.	.	H	α-helix	trans	-67.3	-47.1	175.6	-174.2	177.1	174	-177.9	0	111.7	Q90 R214 H215 A216 E220 W221 E222	Q90-K218 VanDerWaalsContact NE2-CA 3.27Å; R214-K218 WeakPolarHBondContact O-CB 3.27Å; R214-K218 PolarHBondContact O-N 2.96Å; H215-K218 PolarHBondContact O-N 3.16Å; A216-K218 PolarHBondContact O-N 2.95Å; K218-E220 PolarHBondContact O-N 2.92Å; K218-W221 PolarHBondContact O-N 2.86Å; K218-E222 WeakPolarHBondContact CE-OE1 3.42Å; K218-E222 WeakPolarHBondContact O-CG 3.35Å; K218-E222 PolarHBondContact O-N 3.04Å
219	A	85.8	Confident	76.7	Confident	56 Å²	56	68.6 Å²	68.6	46%	0.463	36%	0.356	S	S	.	.	H	α-helix	trans	-60.5	-43.8	177.9	0	0	0	0	0	112.1	H215 A216 A223	H215-A219 WeakPolarHBondContact O-CB 3.06Å; H215-A219 PolarHBondContact O-N 2.97Å; A216-A219 PolarHBondContact O-N 2.9Å; A219-A223 VanDerWaalsContact O-CB 3.26Å; A219-A223 WeakPolarHBondContact O-CB 3.37Å; A219-A223 PolarHBondContact O-N 3.23Å
220	E	86.5	Confident	78.8	Confident	19 Å²	19	69.8 Å²	69.8	9%	0.089	36%	0.36	C	S	.	.	H	α-helix	trans	-68.2	-35.3	176.6	-76	-67.7	169.3	0	0	112.4	L53 R57 R60 A216 K218 L224	L53-E220 HydrophobicContact CD2-CB 4.17Å; L53-E220 HydrophobicContact CD2-CG 3.8Å; R57-E220 IonicContact NE-OE1 3.15Å; R57-E220 IonicContact NH2-OE1 3.84Å; R60-E220 IonicContact NE-OE2 2.76Å; A216-E220 PolarHBondContact O-N 2.89Å; K218-E220 PolarHBondContact O-N 2.92Å; E220-L224 WeakPolarHBondContact O-CB 3.33Å; E220-L224 PolarHBondContact O-N 3.05Å
221	W	86.4	Confident	80.8	Confident	51 Å²	51	69.8 Å²	69.8	19%	0.193	35%	0.348	C	S	.	.	H	α-helix	trans	-62.9	-48.9	175	-179.1	86.9	0	0	0	111.6	N79 L86 F217 K218 L224 Q225	N79-W221 VanDerWaalsContact OD1-CD1 3.31Å; L86-W221 HydrophobicContact CB-CB 4.27Å; L86-W221 HydrophobicContact CD1-CB 4.05Å; F217-W221 VanDerWaalsContact O-CB 3.31Å; F217-W221 WeakPolarHBondContact O-CB 3.48Å; F217-W221 PolarHBondContact O-N 2.91Å; K218-W221 PolarHBondContact O-N 2.86Å; W221-L224 PolarHBondContact O-N 3.49Å; W221-Q225 HydrophobicContact CD2-CG 4.38Å; W221-Q225 VanDerWaalsContact CE2-NE2 3.34Å; W221-Q225 WeakPolarHBondContact O-CG 3.42Å; W221-Q225 PolarHBondContact O-N 3.23Å
222	E	87.3	Confident	82.5	Confident	85 Å²	85	67.6 Å²	67.6	40%	0.397	35%	0.347	S	S	.	.	H	α-helix	trans	-61.6	-45.8	177	-68.5	176.1	179.9	0	0	111.2	K218 L224 Q225 L226	K218-E222 WeakPolarHBondContact CE-OE1 3.42Å; K218-E222 WeakPolarHBondContact O-CG 3.35Å; K218-E222 PolarHBondContact O-N 3.04Å; E222-L224 VanDerWaalsContact C-N 3.35Å; E222-L224 PolarHBondContact O-N 3.18Å; E222-Q225 PolarHBondContact O-N 3.04Å; E222-L226 WeakPolarHBondContact O-CG 3.35Å; E222-L226 PolarHBondContact O-N 3.41Å
223	A	89.4	Confident	83.8	Confident	34 Å²	34	68.3 Å²	68.3	28%	0.281	35%	0.353	S	S	.	.	H	α-helix	trans	-62.6	-40	178.4	0	0	0	0	0	112.5	A219 H227	A219-A223 VanDerWaalsContact O-CB 3.26Å; A219-A223 WeakPolarHBondContact O-CB 3.37Å; A219-A223 PolarHBondContact O-N 3.23Å; A223-H227 PolarHBondContact O-N 3.25Å
224	L	87.6	Confident	84.4	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-74.3	-29.2	179.5	-171.8	64.8	0	0	0	112.1	L59 R60 R75 F78 E220 W221 E222 H227	L59-L224 HydrophobicContact CD2-CD1 4.34Å; R60-L224 HydrophobicContact CB-CD1 4.45Å; R75-L224 HydrophobicContact CG-CD2 4.47Å; R75-L224 HydrophobicContact CG-CG 4.14Å; F78-L224 HydrophobicContact CB-CD2 3.6Å; F78-L224 HydrophobicContact CD2-CD2 4.07Å; F78-L224 HydrophobicContact CG-CD2 4.14Å; E220-L224 WeakPolarHBondContact O-CB 3.33Å; E220-L224 PolarHBondContact O-N 3.05Å; W221-L224 PolarHBondContact O-N 3.49Å; E222-L224 VanDerWaalsContact C-N 3.35Å; E222-L224 PolarHBondContact O-N 3.18Å; L224-H227 PolarHBondContact O-N 3.38Å
225	Q	84.8	Confident	84.8	Confident	84 Å²	84	72.7 Å²	72.7	39%	0.393	37%	0.371	S	S	.	.	H	α-helix	trans	-66.5	-41.6	173.7	-80.4	-163.9	-20.6	0	0	112.3	N79 W221 E222 H227	N79-Q225 HydrophobicContact CB-CG 4.38Å; N79-Q225 VanDerWaalsContact ND2-CG 3.29Å; N79-Q225 WeakPolarHBondContact ND2-CG 3.37Å; N79-Q225 PolarHBondContact ND2-N 3.09Å; N79-Q225 VanDerWaalsContact ND2-N 3.19Å; W221-Q225 HydrophobicContact CD2-CG 4.38Å; W221-Q225 VanDerWaalsContact CE2-NE2 3.34Å; W221-Q225 WeakPolarHBondContact O-CG 3.42Å; W221-Q225 PolarHBondContact O-N 3.23Å; E222-Q225 PolarHBondContact O-N 3.04Å; Q225-H227 PolarHBondContact O-N 2.85Å
226	L	86.5	Confident	85	Confident	149 Å²	149	68.9 Å²	68.9	78%	0.78	36%	0.36	S	S	*	.	H	α-helix	trans	-71.8	-19.1	178.9	-66.7	168.3	0	0	0	112.8	E222	E222-L226 WeakPolarHBondContact O-CG 3.35Å; E222-L226 PolarHBondContact O-N 3.41Å
227	H	85.5	Confident	85	Confident	57 Å²	57	71.7 Å²	71.7	26%	0.264	37%	0.371	S	S	.	.			trans	-79.1	125.7	-175.2	-163.4	74.3	0	0	0	112.8	R60 F71 R75 A223 L224 Q225	R60-H227 HydrophobicContact CG-CB 4.22Å; R60-H227 PolarHBondContact O-CE1 3.45Å; R60-H227 PolarHBondContact O-NE2 3.4Å; F71-H227 AromaticContact CZ-CD2 3.74Å; R75-H227 PolarHBondContact NH1-O 3.34Å; A223-H227 PolarHBondContact O-N 3.25Å; L224-H227 PolarHBondContact O-N 3.38Å; Q225-H227 PolarHBondContact O-N 2.85Å
228	N	83.8	Confident	84.9	Confident	115 Å²	115	78.1 Å²	78.1	62%	0.615	40%	0.398	S	S	*	.			trans	-104.9	137.2	174.1	-82.3	-27.8	0	0	0	111.1	Q230	N228-Q230 PolarHBondContact O-N 3.14Å
229	H	88	Confident	84.8	Confident	28 Å²	28	79.5 Å²	79.5	13%	0.13	41%	0.407	C	S	.	.			trans	-70	117.7	-179.5	-177.4	73.4	0	0	0	111.8	G63 I66 F71 W231	G63-H229 PolarHBondContact O-CE1 3.04Å; G63-H229 PolarHBondContact O-ND1 2.87Å; I66-H229 PolarHBondContact O-CE1 3.22Å; I66-H229 PolarHBondContact O-NE2 2.87Å; F71-H229 HydrophobicContact CB-CB 4.49Å; F71-H229 HydrophobicContact CD1-CB 3.53Å; F71-H229 AromaticContact CD1-CG 3.99Å; F71-H229 AromaticContact CD2-ND1 3.86Å; F71-H229 HydrophobicContact CE1-CB 3.87Å; F71-H229 HydrophobicContact CG-CB 3.99Å; F71-H229 AromaticContact CG-CG 3.95Å; F71-H229 AromaticContact CG-ND1 3.5Å; F71-H229 WeakPolarHBondContact CG-ND1 3.36Å; H229-W231 AromaticContact NE2-CE3 3.17Å; H229-W231 AromaticContact NE2-CZ3 3.74Å
230	Q	85.1	Confident	84.6	Confident	154 Å²	154	83 Å²	83	72%	0.72	42%	0.417	S	S	*	.			trans	-103.4	112.3	171.1	-64.5	-178.6	-0.8	0	0	108.8	R64 N228 A232	R64-Q230 VanDerWaalsContact CA-O 3.28Å; R64-Q230 WeakPolarHBondContact CA-O 3.18Å; R64-Q230 WeakPolarHBondContact CB-O 3.3Å; N228-Q230 PolarHBondContact O-N 3.14Å; Q230-A232 PolarHBondContact O-N 3.49Å; Q230-A232 VanDerWaalsContact O-N 3.1Å
231	W	86.7	Confident	84.1	Confident	91 Å²	91	90.1 Å²	90.1	35%	0.345	45%	0.448	S	S	.	.			trans	-71.8	102	179.6	-171	-100.3	0	0	0	109.7	I66 P67 H229 V233 K234	I66-W231 WeakPolarHBondContact O-CZ3 3.41Å; P67-W231 VanDerWaalsContact C-CZ3 3.45Å; P67-W231 HydrophobicContact CB-CH2 4.25Å; P67-W231 HydrophobicContact CB-CZ3 4.3Å; P67-W231 HydrophobicContact CG-CH2 4.05Å; P67-W231 VanDerWaalsContact N-CH2 3.27Å; H229-W231 AromaticContact NE2-CE3 3.17Å; H229-W231 AromaticContact NE2-CZ3 3.74Å; W231-V233 VanDerWaalsContact C-N 3.29Å; W231-V233 HydrophobicContact CZ2-CB 4.26Å; W231-V233 PolarHBondContact NE1-O 3.18Å; W231-V233 PolarHBondContact O-N 2.62Å; W231-K234 HydrophobicContact CG-CB 4.47Å
232	A	84.7	Confident	83.4	Confident	52 Å²	52	93.1 Å²	93.1	43%	0.43	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-66.5	-34.6	-179.2	0	0	0	0	0	111.7	R64 Y65 Q230 K234	R64-A232 HydrophobicContact CB-CB 4.21Å; R64-A232 HydrophobicContact CG-CB 4.21Å; R64-A232 PolarHBondContact O-N 3.34Å; R64-A232 VanDerWaalsContact O-N 3.09Å; Y65-A232 HydrophobicContact CD1-CB 4.39Å; Y65-A232 HydrophobicContact CE1-CB 4.34Å; Q230-A232 PolarHBondContact O-N 3.49Å; Q230-A232 VanDerWaalsContact O-N 3.1Å; A232-K234 PolarHBondContact O-N 3.32Å
233	V	84.6	Confident	81.8	Confident	68 Å²	68	102.1 Å²	102.1	41%	0.412	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-85.4	30.5	-174.5	-162.4	0	0	0	0	111.5	W231 A236	W231-V233 VanDerWaalsContact C-N 3.29Å; W231-V233 HydrophobicContact CZ2-CB 4.26Å; W231-V233 PolarHBondContact NE1-O 3.18Å; W231-V233 PolarHBondContact O-N 2.62Å; V233-A236 HydrophobicContact CB-CB 4.38Å; V233-A236 HydrophobicContact CG1-CB 3.4Å; V233-A236 VanDerWaalsContact CG1-CB 3.4Å
234	K	80	Confident	81.4	Confident	141 Å²	141	105.6 Å²	105.6	61%	0.613	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-77.8	-29.1	-173.7	-162.3	-178.7	173.2	-171.5	0	112.4	W231 A232	W231-K234 HydrophobicContact CG-CB 4.47Å; A232-K234 PolarHBondContact O-N 3.32Å
235	H	81.2	Confident	81.1	Confident	87 Å²	87	111.1 Å²	111.1	40%	0.403	54%	0.542	S	S	.	.	S	Bend	trans	-123.6	15.8	-174.8	-58.4	-46.8	0	0	0	111.3	D237 K238 E239	H235-D237 VanDerWaalsContact C-OD1 3.25Å; H235-D237 WeakPolarHBondContact CA-OD1 3.45Å; H235-D237 PolarHBondContact O-N 3.17Å; H235-K238 WeakPolarHBondContact O-CA 3.46Å; H235-K238 WeakPolarHBondContact O-CB 3.12Å; H235-K238 PolarHBondContact O-N 3.28Å; H235-E239 WeakPolarHBondContact O-CG 3.38Å; H235-E239 PolarHBondContact O-N 3.3Å
236	A	81.6	Confident	80.8	Confident	37 Å²	37	112.6 Å²	112.6	31%	0.306	55%	0.551	S	S	.	*	H	α-helix	trans	-62.7	-29.8	179.8	0	0	0	0	0	112	V233 L240	V233-A236 HydrophobicContact CB-CB 4.38Å; V233-A236 HydrophobicContact CG1-CB 3.4Å; V233-A236 VanDerWaalsContact CG1-CB 3.4Å; A236-L240 VanDerWaalsContact O-CB 3.32Å; A236-L240 WeakPolarHBondContact O-CB 3.3Å; A236-L240 PolarHBondContact O-N 3.22Å
237	D	80.9	Confident	80.5	Confident	92 Å²	92	110.5 Å²	110.5	49%	0.492	54%	0.537	S	S	.	.	H	α-helix	trans	-59.5	-48.9	169.1	60.2	-31.7	0	0	0	111.1	H235 L240 F241	H235-D237 VanDerWaalsContact C-OD1 3.25Å; H235-D237 WeakPolarHBondContact CA-OD1 3.45Å; H235-D237 PolarHBondContact O-N 3.17Å; D237-L240 PolarHBondContact O-N 3.13Å; D237-F241 WeakPolarHBondContact O-CD2 3.42Å
238	K	81.3	Confident	80.2	Confident	135 Å²	135	113.8 Å²	113.8	59%	0.587	55%	0.554	S	S	*	*	H	α-helix	trans	-67.9	-38.9	179	-64.2	-176.5	178.5	-174.2	0	112.6	H235 L240 F241 V242	H235-K238 WeakPolarHBondContact O-CA 3.46Å; H235-K238 WeakPolarHBondContact O-CB 3.12Å; H235-K238 PolarHBondContact O-N 3.28Å; K238-L240 VanDerWaalsContact C-N 3.34Å; K238-F241 PolarHBondContact O-N 2.65Å; K238-V242 VanDerWaalsContact O-CG2 3.23Å; K238-V242 WeakPolarHBondContact O-CG2 3.24Å
239	E	82.9	Confident	80	Confident	134 Å²	134	113.7 Å²	113.7	63%	0.626	55%	0.55	S	S	*	*	H	α-helix	trans	-69.5	-31.2	179	-71.1	174.7	-173.8	0	0	112.4	H235 F241 V242	H235-E239 WeakPolarHBondContact O-CG 3.38Å; H235-E239 PolarHBondContact O-N 3.3Å; E239-F241 VanDerWaalsContact C-N 3.3Å; E239-F241 PolarHBondContact O-N 3.28Å; E239-V242 PolarHBondContact O-N 2.65Å
240	L	81.6	Confident	79.4	Confident	131 Å²	131	119.9 Å²	119.9	69%	0.686	58%	0.58	S	S	*	*	H	α-helix	trans	-66.5	-31.3	178.3	-167.7	71.9	0	0	0	112.7	A236 D237 K238	A236-L240 VanDerWaalsContact O-CB 3.32Å; A236-L240 WeakPolarHBondContact O-CB 3.3Å; A236-L240 PolarHBondContact O-N 3.22Å; D237-L240 PolarHBondContact O-N 3.13Å; K238-L240 VanDerWaalsContact C-N 3.34Å
241	F	76.6	Confident	79	Confident	167 Å²	167	117.2 Å²	117.2	73%	0.732	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	5.9	-178.6	-63.4	-66.4	0	0	0	114.2	D237 K238 E239 Y243	D237-F241 WeakPolarHBondContact O-CD2 3.42Å; K238-F241 PolarHBondContact O-N 2.65Å; E239-F241 VanDerWaalsContact C-N 3.3Å; E239-F241 PolarHBondContact O-N 3.28Å; F241-Y243 VanDerWaalsContact C-N 3.31Å
242	V	72.3	Confident	78.3	Confident	114 Å²	114	119.4 Å²	119.4	69%	0.691	59%	0.588	S	S	*	*			trans	-91	8.3	179.8	171.7	0	0	0	0	112.5	K238 E239	K238-V242 VanDerWaalsContact O-CG2 3.23Å; K238-V242 WeakPolarHBondContact O-CG2 3.24Å; E239-V242 PolarHBondContact O-N 2.65Å
243	Y	52.1	Low	77.7	Confident	275 Å²	275	125.5 Å²	125.5	100%	1.078	60%	0.602	S	S	*	*			trans	-122.4	0	166.5	-72.3	-79.7	0	0	0	110.7	F241	F241-Y243 VanDerWaalsContact C-N 3.31Å

Retrieved 243 of 243 residues in 251.7 ms (Link to these results)

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