G4VIT7_SCHMA Loading...

Mediator of RNA polymerase II transcription subunit 20

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession G4VIT7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene MED20, Length 278 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	59.6	Low	86	Confident	67 Å²	67	26.1 Å²	26.1	33%	0.33	14%	0.143	S	C	.	.				0	118.2	0	-70.6	179.1	92	0	0	108	E66 T119 C141	M1-E66 HydrophobicContact SD-CG 4.44Å; M1-E66 VanDerWaalsContact SD-OE2 3.4Å; M1-T119 HydrophobicContact CE-CG2 3.81Å; M1-C141 HydrophobicContact CE-CB 4.14Å
2	T	78.3	Confident	83	Confident	59 Å²	59	27.1 Å²	27.1	36%	0.362	15%	0.153	S	C	.	.			trans	-87.5	144	165	48.8	0	0	0	0	107.9	H143	T2-H143 PolarHBondContact O-ND1 3.41Å
3	G	91.2	Very high	80	Confident	4 Å²	4	34.2 Å²	34.2	4%	0.041	21%	0.206	C	C	.	.	S	Bend	trans	126.1	167.2	-179.8	0	0	0	0	0	115	F142 S145 C220	G3-F142 CarbonylContact C-O 3.44Å; G3-F142 WeakPolarHBondContact CA-O 3.35Å; G3-S145 WeakPolarHBondContact CA-O 3.38Å; G3-C220 WeakPolarHBondContact O-CB 3.28Å
4	V	94.2	Very high	77.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.8	176.8	-178.7	0	0	0	0	109.4	C141 F142 S145 I148 C151 L155 F182	V4-C141 WeakPolarHBondContact O-CA 3.21Å; V4-F142 PolarHBondContact N-O 3.03Å; V4-F142 PolarHBondContact O-N 3.36Å; V4-S145 PolarHBondContact N-O 3.2Å; V4-I148 HydrophobicContact CG1-CB 4.45Å; V4-I148 HydrophobicContact CG1-CG1 4.19Å; V4-I148 HydrophobicContact CG1-CG2 4.35Å; V4-I148 HydrophobicContact CG2-CB 4.41Å; V4-I148 HydrophobicContact CG2-CG1 3.89Å; V4-C151 HydrophobicContact CB-CB 3.8Å; V4-C151 HydrophobicContact CG1-CB 3.87Å; V4-C151 HydrophobicContact CG2-CB 4.05Å; V4-L155 HydrophobicContact CG1-CD1 4.04Å; V4-F182 HydrophobicContact CG1-CE2 3.97Å
5	S	95.2	Very high	75	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.014	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	146.5	-178.7	-178	0	0	0	0	111.7	E139 V140 T224 Q227	S5-E139 WeakPolarHBondContact CB-OE1 3.27Å; S5-E139 VanDerWaalsContact OG-CD 3.24Å; S5-E139 WeakPolarHBondContact OG-CG 3.44Å; S5-E139 PolarHBondContact OG-OE1 2.94Å; S5-V140 CarbonylContact C-O 3.59Å; S5-V140 WeakPolarHBondContact CA-O 3.28Å; S5-V140 PolarHBondContact OG-O 2.95Å; S5-T224 WeakPolarHBondContact CB-OG1 3.22Å; S5-Q227 PolarHBondContact O-NE2 2.96Å
6	C	95.1	Very high	73.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.3	166.4	63.1	0	0	0	0	109.9	E139 V140 L155 F178 F182 Q227	C6-E139 WeakPolarHBondContact O-CA 3.32Å; C6-V140 PolarHBondContact N-O 2.96Å; C6-V140 PolarHBondContact O-N 2.85Å; C6-L155 HydrophobicContact CB-CD1 4.29Å; C6-F178 HydrophobicContact CB-CD1 3.86Å; C6-F178 HydrophobicContact CB-CE1 3.93Å; C6-F182 HydrophobicContact CB-CD2 3.98Å; C6-F182 HydrophobicContact CB-CE2 3.88Å; C6-F182 HydrophobicContact CB-CG 4.38Å; C6-F182 HydrophobicContact CB-CZ 4.2Å; C6-Q227 VanDerWaalsContact CA-OE1 3.29Å
7	V	95.6	Very high	72.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127	177.6	-173	0	0	0	0	108.3	L137 E139 T224 Q227 Y228 H231	V7-L137 HydrophobicContact CG1-CB 4.12Å; V7-L137 HydrophobicContact CG1-CD1 4.35Å; V7-L137 HydrophobicContact CG1-CD2 4.46Å; V7-E139 HydrophobicContact CG2-CB 4.47Å; V7-E139 HydrophobicContact CG2-CG 4.18Å; V7-T224 HydrophobicContact CG2-CG2 4.2Å; V7-Q227 HydrophobicContact CB-CB 3.8Å; V7-Q227 HydrophobicContact CG2-CB 3.77Å; V7-Y228 HydrophobicContact CG1-CD1 3.92Å; V7-Y228 HydrophobicContact CG1-CE1 3.8Å; V7-Y228 HydrophobicContact CG2-CD1 4.35Å; V7-Y228 HydrophobicContact CG2-CD2 4.26Å; V7-Y228 HydrophobicContact CG2-CE1 4.17Å; V7-Y228 HydrophobicContact CG2-CE2 4.1Å; V7-Y228 HydrophobicContact CG2-CG 4.37Å; V7-H231 PolarHBondContact O-CD2 2.67Å; V7-H231 PolarHBondContact O-NE2 2.99Å
8	L	93.5	Very high	72.4	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	143.1	179.8	-46	-176	0	0	0	109.4	L137 I138 I159 I166 I177 F178	L8-L137 CarbonylContact O-C 3.58Å; L8-L137 VanDerWaalsContact O-CA 3.24Å; L8-L137 WeakPolarHBondContact O-CA 3.31Å; L8-I138 HydrophobicContact CB-CB 4.4Å; L8-I138 PolarHBondContact N-O 3.1Å; L8-I138 PolarHBondContact O-N 3.42Å; L8-I159 HydrophobicContact CD1-CD1 3.9Å; L8-I159 HydrophobicContact CD1-CG1 4.23Å; L8-I159 HydrophobicContact CD1-CG2 4.04Å; L8-I159 HydrophobicContact CD2-CD1 4.25Å; L8-I166 HydrophobicContact CD1-CG2 4.03Å; L8-I177 HydrophobicContact CD1-CG2 4.06Å; L8-I177 HydrophobicContact CD2-CG2 3.47Å; L8-I177 VanDerWaalsContact CD2-CG2 3.47Å; L8-I177 WeakPolarHBondContact CD2-O 3.43Å; L8-I177 HydrophobicContact CG-CG2 4.32Å; L8-F178 HydrophobicContact CD2-CD1 4.39Å
9	L	90.5	Very high	72.9	Confident	28 Å²	28	50.9 Å²	50.9	15%	0.147	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.5	171.8	174.9	65.5	0	0	0	109.6	N11 L137 H231 V234 V235	L9-N11 VanDerWaalsContact CD2-OD1 3.28Å; L9-N11 WeakPolarHBondContact CD2-OD1 3.24Å; L9-N11 WeakPolarHBondContact CG-OD1 3.32Å; L9-N11 PolarHBondContact O-N 3.38Å; L9-L137 HydrophobicContact CB-CD2 4.16Å; L9-L137 HydrophobicContact CD1-CD2 3.63Å; L9-H231 HydrophobicContact CB-CB 4.21Å; L9-H231 WeakPolarHBondContact CB-ND1 3.49Å; L9-V234 HydrophobicContact CD2-CB 3.85Å; L9-V234 HydrophobicContact CD2-CG1 3.56Å; L9-V235 HydrophobicContact CD1-CG2 3.66Å; L9-V235 HydrophobicContact CD2-CG2 4.36Å
10	L	86.4	Confident	73.5	Confident	28 Å²	28	54.2 Å²	54.2	15%	0.147	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	102	173.5	-174.9	66.5	0	0	0	108.8	S12 I21 Y136	L10-S12 PolarHBondContact O-N 3.41Å; L10-I21 HydrophobicContact CD2-CG2 3.81Å; L10-Y136 HydrophobicContact CD2-CD2 4.07Å; L10-Y136 PolarHBondContact N-O 3.14Å
11	N	66.4	Low	74	Confident	96 Å²	96	54.5 Å²	54.5	51%	0.513	32%	0.317	S	S	.	.			trans	-82.6	112.4	175.3	-70.4	-32.9	0	0	0	109.6	L9 S13	L9-N11 VanDerWaalsContact CD2-OD1 3.28Å; L9-N11 WeakPolarHBondContact CD2-OD1 3.24Å; L9-N11 WeakPolarHBondContact CG-OD1 3.32Å; L9-N11 PolarHBondContact O-N 3.38Å; N11-S13 PolarHBondContact O-N 2.95Å
12	S	49.9	Very low	75.4	Confident	38 Å²	38	51.9 Å²	51.9	27%	0.266	30%	0.304	S	S	.	.			trans	-73.1	108	161.3	59.1	0	0	0	0	107.9	L10 E14 N16 S17	L10-S12 PolarHBondContact O-N 3.41Å; S12-E14 PolarHBondContact O-N 2.63Å; S12-N16 WeakPolarHBondContact CB-O 3.29Å; S12-S17 WeakPolarHBondContact OG-CA 3.15Å; S12-S17 PolarHBondContact OG-N 3.29Å
13	S	43.7	Very low	75.9	Confident	120 Å²	120	53.8 Å²	53.8	84%	0.839	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	1	-174.1	45.6	0	0	0	0	115.7	N11	N11-S13 PolarHBondContact O-N 2.95Å
14	E	40	Very low	75.9	Confident	168 Å²	168	57.2 Å²	57.2	79%	0.785	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.6	35.6	-179.3	-66.2	-164.6	156.5	0	0	114.4	S12 N16	S12-E14 PolarHBondContact O-N 2.63Å; E14-N16 PolarHBondContact O-N 3.26Å
15	G	44.9	Very low	75.8	Confident	67 Å²	67	57.3 Å²	57.3	69%	0.691	33%	0.327	S	S	*	.	S	Bend	trans	65.1	-6.5	174.8	0	0	0	0	0	115.7
16	N	47.6	Very low	75.8	Confident	134 Å²	134	58.2 Å²	58.2	72%	0.717	33%	0.331	S	S	*	.			trans	-97.9	86.9	168.7	-77	-36.8	0	0	0	108.2	S12 E14 D18	S12-N16 WeakPolarHBondContact CB-O 3.29Å; E14-N16 PolarHBondContact O-N 3.26Å; N16-D18 VanDerWaalsContact C-N 3.29Å; N16-D18 PolarHBondContact O-N 3.1Å
17	S	60.4	Low	75.7	Confident	20 Å²	20	63.6 Å²	63.6	14%	0.14	36%	0.355	C	S	.	.			trans	-63.7	95.6	162.9	57.5	0	0	0	0	107.3	S12 P19 V133 Y136	S12-S17 WeakPolarHBondContact OG-CA 3.15Å; S12-S17 PolarHBondContact OG-N 3.29Å; S17-P19 WeakPolarHBondContact O-CD 3.32Å; S17-V133 WeakPolarHBondContact OG-CB 3.15Å; S17-V133 VanDerWaalsContact OG-CG1 3.28Å; S17-V133 WeakPolarHBondContact OG-CG1 3.29Å; S17-Y136 PolarHBondContact O-OH 3.22Å
18	D	71.5	Confident	75.6	Confident	61 Å²	61	67.6 Å²	67.6	33%	0.326	37%	0.372	S	S	.	.			trans	-72.2	109.8	-179.3	-176.9	1.6	0	0	0	109	N16 Q20 I21	N16-D18 VanDerWaalsContact C-N 3.29Å; N16-D18 PolarHBondContact O-N 3.1Å; D18-Q20 PolarHBondContact O-N 3.4Å; D18-Q20 VanDerWaalsContact O-N 3.1Å; D18-Q20 VanDerWaalsContact OD1-CB 3.24Å; D18-Q20 WeakPolarHBondContact OD1-CB 3.26Å; D18-Q20 VanDerWaalsContact OD1-CG 3.29Å; D18-Q20 WeakPolarHBondContact OD1-CG 3.29Å; D18-Q20 PolarHBondContact OD1-N 3.1Å; D18-I21 HydrophobicContact CB-CD1 4.02Å; D18-I21 HydrophobicContact CB-CG1 4.1Å; D18-I21 PolarHBondContact O-N 3.31Å; D18-I21 VanDerWaalsContact O-N 3.1Å
19	P	80.8	Confident	75.7	Confident	72 Å²	72	67.5 Å²	67.5	47%	0.468	37%	0.372	S	S	.	.	H	α-helix	trans	-59.5	-23.1	179.2	26.9	-35.2	0	0	0	112.2	S17 I21 L22 E23 Y136	S17-P19 WeakPolarHBondContact O-CD 3.32Å; P19-I21 PolarHBondContact O-N 3.44Å; P19-L22 PolarHBondContact O-N 3.37Å; P19-E23 PolarHBondContact O-N 2.86Å; P19-Y136 VanDerWaalsContact CA-OH 3.29Å; P19-Y136 WeakPolarHBondContact CA-OH 3.35Å
20	Q	85.2	Confident	75.9	Confident	116 Å²	116	70.6 Å²	70.6	54%	0.542	39%	0.385	S	S	.	.	H	α-helix	trans	-63.8	-29.8	178.5	-61.2	-173.2	-14.7	0	0	112.4	D18 L22 E23 N24	D18-Q20 PolarHBondContact O-N 3.4Å; D18-Q20 VanDerWaalsContact O-N 3.1Å; D18-Q20 VanDerWaalsContact OD1-CB 3.24Å; D18-Q20 WeakPolarHBondContact OD1-CB 3.26Å; D18-Q20 VanDerWaalsContact OD1-CG 3.29Å; D18-Q20 WeakPolarHBondContact OD1-CG 3.29Å; D18-Q20 PolarHBondContact OD1-N 3.1Å; Q20-L22 VanDerWaalsContact C-N 3.34Å; Q20-L22 PolarHBondContact O-N 2.92Å; Q20-E23 PolarHBondContact O-N 3.38Å; Q20-N24 VanDerWaalsContact O-CB 3.26Å; Q20-N24 WeakPolarHBondContact O-CB 3.48Å; Q20-N24 PolarHBondContact O-N 2.96Å; Q20-N24 PolarHBondContact O-ND2 2.94Å; Q20-N24 VanDerWaalsContact O-ND2 3.14Å
21	I	83.8	Confident	76.4	Confident	62 Å²	62	76.5 Å²	76.5	32%	0.318	42%	0.416	S	S	.	.	H	α-helix	trans	-61.7	-47.1	178.6	-61.6	169.9	0	0	0	109.9	L10 D18 P19 N24 L25	L10-I21 HydrophobicContact CD2-CG2 3.81Å; D18-I21 HydrophobicContact CB-CD1 4.02Å; D18-I21 HydrophobicContact CB-CG1 4.1Å; D18-I21 PolarHBondContact O-N 3.31Å; D18-I21 VanDerWaalsContact O-N 3.1Å; P19-I21 PolarHBondContact O-N 3.44Å; I21-N24 PolarHBondContact O-N 3.42Å; I21-L25 HydrophobicContact CG2-CD1 4.21Å; I21-L25 WeakPolarHBondContact O-CG 3.4Å; I21-L25 PolarHBondContact O-N 3.31Å
22	L	88.2	Confident	77.8	Confident	11 Å²	11	76.7 Å²	76.7	6%	0.058	42%	0.417	C	S	.	.	H	α-helix	trans	-66.4	-43.6	-179.4	-161.4	71.4	0	0	0	111.4	P19 Q20 N24 L25 M26 F122 Y136 I138	P19-L22 PolarHBondContact O-N 3.37Å; Q20-L22 VanDerWaalsContact C-N 3.34Å; Q20-L22 PolarHBondContact O-N 2.92Å; L22-N24 VanDerWaalsContact C-N 3.32Å; L22-N24 PolarHBondContact O-N 3.29Å; L22-L25 PolarHBondContact O-N 3.02Å; L22-M26 HydrophobicContact CD2-CE 3.72Å; L22-M26 HydrophobicContact CG-CE 3.83Å; L22-M26 VanDerWaalsContact O-CG 3.29Å; L22-M26 WeakPolarHBondContact O-CG 3.48Å; L22-M26 PolarHBondContact O-N 3.46Å; L22-F122 HydrophobicContact CD1-CB 3.79Å; L22-F122 HydrophobicContact CD1-CD1 3.48Å; L22-F122 VanDerWaalsContact CD1-CD1 3.48Å; L22-F122 HydrophobicContact CD1-CE1 4.42Å; L22-F122 HydrophobicContact CD1-CG 4Å; L22-F122 HydrophobicContact CD2-CB 4.19Å; L22-F122 HydrophobicContact CG-CB 4.11Å; L22-F122 HydrophobicContact CG-CD1 4.31Å; L22-F122 HydrophobicContact CG-CG 4.47Å; L22-Y136 HydrophobicContact CB-CD1 4.48Å; L22-Y136 HydrophobicContact CB-CE1 4.47Å; L22-Y136 HydrophobicContact CD1-CD1 4.42Å; L22-Y136 HydrophobicContact CD2-CD1 3.87Å; L22-Y136 HydrophobicContact CD2-CE1 4.16Å; L22-Y136 HydrophobicContact CG-CD1 4.5Å; L22-I138 HydrophobicContact CD1-CD1 4.46Å
23	E	90.8	Very high	80	Confident	100 Å²	100	77.2 Å²	77.2	47%	0.467	43%	0.428	S	S	.	.	H	α-helix	trans	-61.7	-39.3	176.9	-69.7	-179	-170.1	0	0	112.3	P19 Q20 M26 K27	P19-E23 PolarHBondContact O-N 2.86Å; Q20-E23 PolarHBondContact O-N 3.38Å; E23-M26 PolarHBondContact O-N 2.95Å; E23-K27 WeakPolarHBondContact O-CB 3.43Å; E23-K27 VanDerWaalsContact O-CG 3.28Å; E23-K27 WeakPolarHBondContact O-CG 3.28Å; E23-K27 PolarHBondContact O-N 3.46Å
24	N	91.2	Very high	82.5	Confident	76 Å²	76	71.9 Å²	71.9	41%	0.406	39%	0.392	S	S	.	.	H	α-helix	trans	-67.6	-41.6	177.4	-71.2	-22.3	0	0	0	111.5	Q20 I21 L22 K27 K28	Q20-N24 VanDerWaalsContact O-CB 3.26Å; Q20-N24 WeakPolarHBondContact O-CB 3.48Å; Q20-N24 PolarHBondContact O-N 2.96Å; Q20-N24 PolarHBondContact O-ND2 2.94Å; Q20-N24 VanDerWaalsContact O-ND2 3.14Å; I21-N24 PolarHBondContact O-N 3.42Å; L22-N24 VanDerWaalsContact C-N 3.32Å; L22-N24 PolarHBondContact O-N 3.29Å; N24-K27 PolarHBondContact O-N 3.14Å; N24-K28 WeakPolarHBondContact O-CB 3.46Å; N24-K28 WeakPolarHBondContact O-CG 3.41Å; N24-K28 PolarHBondContact O-N 2.98Å
25	L	91.4	Very high	85.3	Confident	2 Å²	2	71 Å²	71	1%	0.01	39%	0.387	C	S	.	.	H	α-helix	trans	-62.4	-43.7	174	-71.1	172.2	0	0	0	111.7	I21 L22 K28 L29 F122 I138 L163 D165 I166	I21-L25 HydrophobicContact CG2-CD1 4.21Å; I21-L25 WeakPolarHBondContact O-CG 3.4Å; I21-L25 PolarHBondContact O-N 3.31Å; L22-L25 PolarHBondContact O-N 3.02Å; L25-K28 PolarHBondContact O-N 2.98Å; L25-L29 WeakPolarHBondContact O-CB 3.42Å; L25-L29 PolarHBondContact O-N 3.44Å; L25-F122 HydrophobicContact CB-CE1 3.75Å; L25-F122 HydrophobicContact CB-CZ 4.08Å; L25-F122 HydrophobicContact CD1-CE1 4.34Å; L25-I138 HydrophobicContact CD1-CD1 3.79Å; L25-L163 HydrophobicContact CD2-CD2 4.05Å; L25-D165 HydrophobicContact CD2-CB 4.24Å; L25-I166 HydrophobicContact CD1-CD1 4.13Å; L25-I166 HydrophobicContact CD1-CG1 3.97Å; L25-I166 HydrophobicContact CD2-CG1 4.44Å
26	M	93.9	Very high	87.7	Confident	21 Å²	21	73.5 Å²	73.5	10%	0.103	38%	0.379	C	S	.	.	H	α-helix	trans	-60	-48	175.4	-71.8	172.7	177	0	0	111.7	L22 E23 K28 L29 E30 I111 Y113 F122	L22-M26 HydrophobicContact CD2-CE 3.72Å; L22-M26 HydrophobicContact CG-CE 3.83Å; L22-M26 VanDerWaalsContact O-CG 3.29Å; L22-M26 WeakPolarHBondContact O-CG 3.48Å; L22-M26 PolarHBondContact O-N 3.46Å; E23-M26 PolarHBondContact O-N 2.95Å; M26-K28 PolarHBondContact O-N 3.36Å; M26-L29 WeakPolarHBondContact O-CB 3.48Å; M26-L29 PolarHBondContact O-N 2.93Å; M26-E30 WeakPolarHBondContact O-CG 3.16Å; M26-E30 PolarHBondContact O-N 3.18Å; M26-I111 HydrophobicContact CE-CB 4.18Å; M26-I111 HydrophobicContact CE-CD1 4.01Å; M26-I111 HydrophobicContact CE-CG1 4.38Å; M26-I111 HydrophobicContact SD-CD1 4.32Å; M26-Y113 HydrophobicContact CB-CE2 4.35Å; M26-Y113 HydrophobicContact CG-CE2 3.93Å; M26-Y113 HydrophobicContact SD-CE2 4.48Å; M26-F122 HydrophobicContact CE-CB 3.31Å; M26-F122 HydrophobicContact CE-CD2 4.03Å; M26-F122 HydrophobicContact CE-CG 3.86Å; M26-F122 HydrophobicContact CG-CB 4.49Å; M26-F122 HydrophobicContact CG-CD2 3.58Å; M26-F122 HydrophobicContact CG-CE2 3.81Å; M26-F122 HydrophobicContact CG-CG 4Å; M26-F122 HydrophobicContact CG-CZ 4.42Å
27	K	94.2	Very high	90	Very high	112 Å²	112	70.4 Å²	70.4	49%	0.487	37%	0.367	S	S	.	.	H	α-helix	trans	-60.9	-42.9	177.4	-73.2	169.3	-172.3	165.1	0	112.1	E23 N24 L29 E30 L31	E23-K27 WeakPolarHBondContact O-CB 3.43Å; E23-K27 VanDerWaalsContact O-CG 3.28Å; E23-K27 WeakPolarHBondContact O-CG 3.28Å; E23-K27 PolarHBondContact O-N 3.46Å; N24-K27 PolarHBondContact O-N 3.14Å; K27-L29 VanDerWaalsContact C-N 3.31Å; K27-L29 PolarHBondContact O-N 3.21Å; K27-E30 PolarHBondContact O-N 3.02Å; K27-L31 VanDerWaalsContact O-CG 3.32Å; K27-L31 WeakPolarHBondContact O-CG 3.3Å; K27-L31 PolarHBondContact O-N 2.92Å
28	K	93.1	Very high	91.7	Very high	84 Å²	84	70.7 Å²	70.7	37%	0.365	37%	0.374	S	S	.	.	H	α-helix	trans	-60.4	-42.3	175	-75.8	177.4	-179.3	-177.6	0	111.3	N24 L25 M26 L31 L32 D165	N24-K28 WeakPolarHBondContact O-CB 3.46Å; N24-K28 WeakPolarHBondContact O-CG 3.41Å; N24-K28 PolarHBondContact O-N 2.98Å; L25-K28 PolarHBondContact O-N 2.98Å; M26-K28 PolarHBondContact O-N 3.36Å; K28-L31 WeakPolarHBondContact O-CB 3.45Å; K28-L31 PolarHBondContact O-N 3.35Å; K28-L32 WeakPolarHBondContact O-CG 3.21Å; K28-L32 PolarHBondContact O-N 3.08Å; K28-L32 VanDerWaalsContact O-N 3.14Å; K28-D165 VanDerWaalsContact NZ-CG 3.35Å; K28-D165 IonicContact NZ-OD1 2.97Å; K28-D165 PolarHBondContact NZ-OD1 2.99Å; K28-D165 IonicContact NZ-OD2 2.75Å; K28-D165 PolarHBondContact NZ-OD2 3.37Å
29	L	95.1	Very high	92.9	Very high	2 Å²	2	77.3 Å²	77.3	1%	0.01	39%	0.394	C	S	.	.	H	α-helix	trans	-66.1	-40.3	179	-162.2	71.2	0	0	0	111.7	L25 M26 K27 L32 A34 Y113 L115 I120 F122 V162	L25-L29 WeakPolarHBondContact O-CB 3.42Å; L25-L29 PolarHBondContact O-N 3.44Å; M26-L29 WeakPolarHBondContact O-CB 3.48Å; M26-L29 PolarHBondContact O-N 2.93Å; K27-L29 VanDerWaalsContact C-N 3.31Å; K27-L29 PolarHBondContact O-N 3.21Å; L29-L32 PolarHBondContact O-N 3.47Å; L29-A34 HydrophobicContact CB-CB 4.39Å; L29-A34 HydrophobicContact CD1-CB 4.33Å; L29-A34 HydrophobicContact CD2-CB 4Å; L29-A34 HydrophobicContact CG-CB 3.53Å; L29-A34 WeakPolarHBondContact O-CB 3.43Å; L29-A34 PolarHBondContact O-N 2.63Å; L29-A34 VanDerWaalsContact O-N 3.08Å; L29-Y113 VanDerWaalsContact CD2-CB 3.47Å; L29-Y113 HydrophobicContact CD2-CD1 4.25Å; L29-Y113 HydrophobicContact CD2-CD2 4.3Å; L29-Y113 HydrophobicContact CD2-CG 3.77Å; L29-L115 HydrophobicContact CD1-CD2 4.02Å; L29-I120 HydrophobicContact CD1-CD1 4.25Å; L29-I120 HydrophobicContact CD1-CG1 4.3Å; L29-I120 HydrophobicContact CD2-CB 3.8Å; L29-I120 HydrophobicContact CD2-CD1 4.05Å; L29-I120 HydrophobicContact CD2-CG1 3.96Å; L29-I120 HydrophobicContact CD2-CG2 4.16Å; L29-F122 HydrophobicContact CD2-CE2 3.62Å; L29-F122 HydrophobicContact CD2-CZ 4.02Å; L29-V162 HydrophobicContact CD1-CG1 3.45Å; L29-V162 VanDerWaalsContact CD1-CG1 3.45Å
30	E	96	Very high	93.7	Very high	92 Å²	92	74.1 Å²	74.1	43%	0.43	37%	0.373	S	S	.	.	H	α-helix	trans	-62.1	-40.1	172.9	-72.3	171.8	179.2	0	0	112.1	M26 K27 L32 G33 Y113	M26-E30 WeakPolarHBondContact O-CG 3.16Å; M26-E30 PolarHBondContact O-N 3.18Å; K27-E30 PolarHBondContact O-N 3.02Å; E30-L32 VanDerWaalsContact C-N 3.26Å; E30-L32 PolarHBondContact O-N 3.42Å; E30-G33 PolarHBondContact O-N 2.75Å; E30-Y113 HydrophobicContact CG-CD1 4.34Å; E30-Y113 HydrophobicContact CG-CE1 3.52Å; E30-Y113 VanDerWaalsContact OE1-CE1 3.28Å; E30-Y113 WeakPolarHBondContact OE1-CE1 3.29Å; E30-Y113 PolarHBondContact OE1-OH 3.29Å
31	L	95.7	Very high	94.3	Very high	153 Å²	153	70.9 Å²	70.9	80%	0.801	36%	0.358	S	S	*	.	H	α-helix	trans	-63.9	-29	174.9	-71.9	169.3	0	0	0	113.2	K27 K28 G33	K27-L31 VanDerWaalsContact O-CG 3.32Å; K27-L31 WeakPolarHBondContact O-CG 3.3Å; K27-L31 PolarHBondContact O-N 2.92Å; K28-L31 WeakPolarHBondContact O-CB 3.45Å; K28-L31 PolarHBondContact O-N 3.35Å; L31-G33 PolarHBondContact O-N 3.22Å
32	L	95.7	Very high	95	Very high	99 Å²	99	68 Å²	68	52%	0.518	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	1	173.1	-67.3	171.6	0	0	0	113.1	K28 L29 E30 L115 V162	K28-L32 WeakPolarHBondContact O-CG 3.21Å; K28-L32 PolarHBondContact O-N 3.08Å; K28-L32 VanDerWaalsContact O-N 3.14Å; L29-L32 PolarHBondContact O-N 3.47Å; E30-L32 VanDerWaalsContact C-N 3.26Å; E30-L32 PolarHBondContact O-N 3.42Å; L32-L115 HydrophobicContact CB-CD2 4.33Å; L32-L115 WeakPolarHBondContact O-CD1 3.43Å; L32-V162 HydrophobicContact CD1-CB 4.49Å; L32-V162 HydrophobicContact CD1-CG1 3.78Å
33	G	96.7	Very high	95.4	Very high	50 Å²	50	71.1 Å²	71.1	52%	0.515	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	12.2	178.1	0	0	0	0	0	114.4	E30 L31	E30-G33 PolarHBondContact O-N 2.75Å; L31-G33 PolarHBondContact O-N 3.22Å
34	A	97.1	Very high	95.7	Very high	8 Å²	8	66.6 Å²	66.6	7%	0.066	34%	0.336	C	S	.	.			trans	-71.2	141.4	177	0	0	0	0	0	111.8	L29 Y113 Q114 L115	L29-A34 HydrophobicContact CB-CB 4.39Å; L29-A34 HydrophobicContact CD1-CB 4.33Å; L29-A34 HydrophobicContact CD2-CB 4Å; L29-A34 HydrophobicContact CG-CB 3.53Å; L29-A34 WeakPolarHBondContact O-CB 3.43Å; L29-A34 PolarHBondContact O-N 2.63Å; L29-A34 VanDerWaalsContact O-N 3.08Å; A34-Y113 HydrophobicContact CB-CD1 4.25Å; A34-Q114 CarbonylContact C-O 3.6Å; A34-Q114 WeakPolarHBondContact CA-O 3.39Å; A34-L115 HydrophobicContact CB-CB 3.89Å; A34-L115 HydrophobicContact CB-CD1 4.2Å; A34-L115 HydrophobicContact CB-CG 4.48Å
35	Q	97.2	Very high	95.9	Very high	149 Å²	149	63.6 Å²	63.6	70%	0.696	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.9	-178.6	-63.8	-176	-3	0	0	110.6	C37 Y113 Q114	Q35-C37 PolarHBondContact O-N 3.3Å; Q35-Y113 CarbonylContact O-C 3.22Å; Q35-Y113 WeakPolarHBondContact O-CA 3.49Å; Q35-Q114 PolarHBondContact N-O 3.36Å; Q35-Q114 PolarHBondContact O-N 3.3Å
36	K	97	Very high	96.1	Very high	120 Å²	120	63.9 Å²	63.9	52%	0.522	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	115.5	172.3	-178.5	171.7	178.4	168.7	0	109.8	I111 K112 Y113	K36-I111 HydrophobicContact CD-CG2 3.88Å; K36-I111 HydrophobicContact CG-CG2 3.78Å; K36-K112 CarbonylContact C-O 3.48Å; K36-K112 WeakPolarHBondContact CA-O 3.28Å; K36-Y113 HydrophobicContact CB-CD1 4.3Å; K36-Y113 HydrophobicContact CB-CE1 3.97Å
37	C	94.9	Very high	96.2	Very high	68 Å²	68	63 Å²	63	46%	0.459	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-3.8	-172.3	63	0	0	0	0	114.1	Q35 K112 Q114	Q35-C37 PolarHBondContact O-N 3.3Å; C37-K112 PolarHBondContact N-O 3.29Å; C37-K112 VanDerWaalsContact SG-C 3.53Å; C37-K112 WeakPolarHBondContact SG-CB 3.3Å; C37-Q114 HydrophobicContact CB-CB 4.4Å
38	G	95.9	Very high	96.2	Very high	27 Å²	27	60.6 Å²	60.6	28%	0.278	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	162.4	-161.3	174.5	0	0	0	0	0	115.2	K112	G38-K112 PolarHBondContact O-N 2.86Å
39	R	97.2	Very high	96.3	Very high	200 Å²	200	57.8 Å²	57.8	76%	0.755	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	149.6	174.3	-62.8	-177.8	-175.9	-173.3	0.2	109	G110	R39-G110 WeakPolarHBondContact CA-O 3.38Å
40	I	97.4	Very high	96.2	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.5	173.8	-176	168.5	0	0	0	108.9	I42 E66 G110 K112 N121 I123	I40-I42 HydrophobicContact CD1-CD1 4.2Å; I40-I42 HydrophobicContact CD1-CG1 4.37Å; I40-I42 HydrophobicContact CG1-CG1 4.23Å; I40-E66 HydrophobicContact CD1-CG 3.88Å; I40-E66 HydrophobicContact CG1-CG 4.29Å; I40-G110 PolarHBondContact N-O 2.88Å; I40-G110 PolarHBondContact O-N 2.85Å; I40-K112 HydrophobicContact CB-CD 4.37Å; I40-K112 HydrophobicContact CB-CG 4.18Å; I40-K112 HydrophobicContact CG2-CG 4.33Å; I40-N121 HydrophobicContact CG2-CB 4.25Å; I40-I123 HydrophobicContact CD1-CD1 4.46Å; I40-I123 HydrophobicContact CG2-CD1 4.08Å; I40-I123 HydrophobicContact CG2-CG1 3.76Å
41	H	97.8	Very high	96	Very high	48 Å²	48	62.4 Å²	62.4	22%	0.222	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129.4	174	179.3	-133.6	0	0	0	109.8	E43 S64 T65 E107 A108	H41-E43 WeakPolarHBondContact CE1-CG 3.29Å; H41-E43 IonicContact CE1-OE1 3.32Å; H41-E43 PolarHBondContact CE1-OE1 3.14Å; H41-E43 VanDerWaalsContact CE1-OE1 3.3Å; H41-S64 CarbonylContact O-C 3.52Å; H41-S64 WeakPolarHBondContact O-CA 3.43Å; H41-T65 HydrophobicContact CB-CG2 3.69Å; H41-T65 PolarHBondContact N-OG1 2.93Å; H41-T65 PolarHBondContact O-N 3.09Å; H41-E107 IonicContact CE1-OE1 3.87Å; H41-E107 WeakPolarHBondContact NE2-CG 3.5Å; H41-E107 IonicContact NE2-OE1 3.66Å; H41-E107 PolarHBondContact NE2-OE1 2.76Å; H41-A108 WeakPolarHBondContact CA-O 3.47Å; H41-A108 PolarHBondContact CD2-O 2.78Å; H41-A108 VanDerWaalsContact CD2-O 3.29Å
42	I	97.7	Very high	95.4	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.7	-179.4	-59.4	170.8	0	0	0	108	I40 L62 T63 A108 I123 Y228 I232	I40-I42 HydrophobicContact CD1-CD1 4.2Å; I40-I42 HydrophobicContact CD1-CG1 4.37Å; I40-I42 HydrophobicContact CG1-CG1 4.23Å; I42-L62 HydrophobicContact CG2-CD1 3.45Å; I42-L62 VanDerWaalsContact CG2-CD1 3.45Å; I42-L62 HydrophobicContact CG2-CG 4.05Å; I42-T63 VanDerWaalsContact CA-O 3.25Å; I42-T63 WeakPolarHBondContact CA-O 2.89Å; I42-T63 WeakPolarHBondContact CG2-O 3.32Å; I42-A108 HydrophobicContact CB-CB 4.23Å; I42-A108 PolarHBondContact N-O 2.79Å; I42-A108 PolarHBondContact O-N 3.05Å; I42-I123 HydrophobicContact CD1-CD1 4.23Å; I42-Y228 HydrophobicContact CD1-CD1 3.65Å; I42-Y228 HydrophobicContact CD1-CD2 3.99Å; I42-Y228 HydrophobicContact CD1-CE1 3.43Å; I42-Y228 VanDerWaalsContact CD1-CE1 3.43Å; I42-Y228 HydrophobicContact CD1-CE2 3.77Å; I42-Y228 HydrophobicContact CD1-CG 3.94Å; I42-Y228 VanDerWaalsContact CD1-CZ 3.49Å; I42-I232 HydrophobicContact CG2-CD1 4.4Å
43	E	97.3	Very high	95	Very high	78 Å²	78	67.1 Å²	67.1	36%	0.364	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.6	173.2	-51.6	174.8	142.4	0	0	109.5	H41 L62 T63 R88 V106	H41-E43 WeakPolarHBondContact CE1-CG 3.29Å; H41-E43 IonicContact CE1-OE1 3.32Å; H41-E43 PolarHBondContact CE1-OE1 3.14Å; H41-E43 VanDerWaalsContact CE1-OE1 3.3Å; E43-L62 CarbonylContact O-C 3.52Å; E43-L62 WeakPolarHBondContact O-CA 3.17Å; E43-T63 WeakPolarHBondContact CB-OG1 3.21Å; E43-T63 PolarHBondContact N-O 3.44Å; E43-T63 PolarHBondContact O-N 2.88Å; E43-T63 PolarHBondContact O-OG1 3.38Å; E43-T63 PolarHBondContact OE2-OG1 2.95Å; E43-R88 IonicContact OE2-NH1 3.85Å; E43-V106 CarbonylContact C-O 3.56Å; E43-V106 WeakPolarHBondContact CA-O 3.32Å
44	S	97.2	Very high	94.5	Very high	4 Å²	4	66.1 Å²	66.1	3%	0.028	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	118.5	176.3	-168.1	0	0	0	0	112.7	Q60 V61 Q105 V106 R236	S44-Q60 WeakPolarHBondContact OG-CG 3.37Å; S44-Q60 PolarHBondContact OG-NE2 3.36Å; S44-V61 CarbonylContact C-O 3.58Å; S44-V61 WeakPolarHBondContact CA-O 3.33Å; S44-Q105 CarbonylContact O-C 3.57Å; S44-Q105 VanDerWaalsContact O-CA 3.31Å; S44-Q105 WeakPolarHBondContact O-CA 3.4Å; S44-V106 PolarHBondContact N-O 3.5Å; S44-V106 PolarHBondContact O-N 3.15Å; S44-R236 PolarHBondContact O-NH2 3.01Å; S44-R236 PolarHBondContact OG-NH2 3.47Å
45	A	96.3	Very high	94.1	Very high	14 Å²	14	75 Å²	75	12%	0.116	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	142.6	175	0	0	0	0	0	110.9	Y47 Q60 V61	A45-Y47 HydrophobicContact CB-CE2 3.89Å; A45-Q60 CarbonylContact O-C 3.59Å; A45-Q60 VanDerWaalsContact O-CA 3.29Å; A45-Q60 WeakPolarHBondContact O-CA 3.4Å; A45-V61 PolarHBondContact N-O 2.97Å; A45-V61 PolarHBondContact O-N 2.84Å
46	V	95.4	Very high	93.8	Very high	8 Å²	8	69.2 Å²	69.2	5%	0.048	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.8	176.2	-170.1	0	0	0	0	110.1	F48 T58 F59 K101 L104	V46-F48 HydrophobicContact CB-CE2 4.37Å; V46-F48 HydrophobicContact CG1-CD2 4.04Å; V46-F48 HydrophobicContact CG1-CE2 3.48Å; V46-F48 VanDerWaalsContact CG1-CE2 3.48Å; V46-F48 HydrophobicContact CG1-CZ 4.31Å; V46-T58 WeakPolarHBondContact CG1-OG1 3.45Å; V46-F59 WeakPolarHBondContact CA-O 3.25Å; V46-K101 PolarHBondContact O-N 2.89Å; V46-L104 HydrophobicContact CG2-CB 4.46Å
47	Y	95.6	Very high	93.6	Very high	3 Å²	3	69.5 Å²	69.5	1%	0.012	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.9	-179.8	-59.5	-91.4	0	0	0	109.7	A45 T58 F59 V61 R88 P91 Q99 R100	A45-Y47 HydrophobicContact CB-CE2 3.89Å; Y47-T58 WeakPolarHBondContact O-CA 3.28Å; Y47-T58 PolarHBondContact O-OG1 3.39Å; Y47-F59 HydrophobicContact CD1-CZ 4.45Å; Y47-F59 AromaticContact CD2-CD2 3.87Å; Y47-F59 HydrophobicContact CD2-CD2 3.87Å; Y47-F59 AromaticContact CD2-CE2 3.29Å; Y47-F59 HydrophobicContact CD2-CE2 3.29Å; Y47-F59 AromaticContact CD2-CZ 3.68Å; Y47-F59 HydrophobicContact CD2-CZ 3.68Å; Y47-F59 AromaticContact CE2-CE2 3.91Å; Y47-F59 HydrophobicContact CE2-CE2 3.91Å; Y47-F59 HydrophobicContact CE2-CZ 4.46Å; Y47-F59 HydrophobicContact CG-CD2 4.5Å; Y47-F59 HydrophobicContact CG-CE1 4.26Å; Y47-F59 AromaticContact CG-CE2 3.78Å; Y47-F59 HydrophobicContact CG-CE2 3.78Å; Y47-F59 AromaticContact CG-CZ 3.64Å; Y47-F59 HydrophobicContact CG-CZ 3.64Å; Y47-F59 PolarHBondContact N-O 3.29Å; Y47-F59 PolarHBondContact O-N 3.02Å; Y47-F59 VanDerWaalsContact O-N 3.07Å; Y47-V61 HydrophobicContact CD2-CG2 4.28Å; Y47-V61 HydrophobicContact CE2-CB 4.32Å; Y47-V61 HydrophobicContact CE2-CG2 3.8Å; Y47-R88 PolarHBondContact OH-O 3.4Å; Y47-P91 HydrophobicContact CD1-CB 3.6Å; Y47-P91 HydrophobicContact CD2-CB 4.25Å; Y47-P91 HydrophobicContact CD2-CG 4.33Å; Y47-P91 HydrophobicContact CE1-CB 3.23Å; Y47-P91 HydrophobicContact CE1-CG 4.1Å; Y47-P91 HydrophobicContact CE2-CB 3.93Å; Y47-P91 HydrophobicContact CE2-CG 3.88Å; Y47-P91 HydrophobicContact CG-CB 4.08Å; Y47-Q99 WeakPolarHBondContact CA-O 3.43Å; Y47-R100 HydrophobicContact CD1-CB 3.77Å; Y47-R100 HydrophobicContact CD1-CG 4.19Å; Y47-R100 HydrophobicContact CE1-CB 3.59Å; Y47-R100 HydrophobicContact CE1-CG 3.74Å; Y47-R100 VanDerWaalsContact OH-CZ 3.25Å; Y47-R100 PolarHBondContact OH-NE 3.48Å; Y47-R100 PolarHBondContact OH-NH2 3.46Å
48	F	94.8	Very high	93.6	Very high	61 Å²	61	68 Å²	68	27%	0.268	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.1	177.8	-76.6	-108.1	0	0	0	108.9	V46 K57 Y98 Q99 K101 L104	V46-F48 HydrophobicContact CB-CE2 4.37Å; V46-F48 HydrophobicContact CG1-CD2 4.04Å; V46-F48 HydrophobicContact CG1-CE2 3.48Å; V46-F48 VanDerWaalsContact CG1-CE2 3.48Å; V46-F48 HydrophobicContact CG1-CZ 4.31Å; F48-K57 CarbonylContact C-O 3.56Å; F48-K57 WeakPolarHBondContact CA-O 3.23Å; F48-Y98 CarbonylContact O-C 3.55Å; F48-Y98 VanDerWaalsContact O-CA 3.32Å; F48-Y98 WeakPolarHBondContact O-CA 3.39Å; F48-Q99 PolarHBondContact N-O 2.85Å; F48-Q99 PolarHBondContact O-N 3.37Å; F48-K101 HydrophobicContact CD2-CB 4.21Å; F48-K101 HydrophobicContact CD2-CD 4.21Å; F48-K101 HydrophobicContact CD2-CG 3.2Å; F48-K101 HydrophobicContact CE2-CB 4.25Å; F48-K101 HydrophobicContact CE2-CG 3.55Å; F48-K101 HydrophobicContact CG-CG 4.04Å; F48-L104 HydrophobicContact CE2-CD1 3.75Å; F48-L104 HydrophobicContact CZ-CD1 4.1Å
49	S	94.7	Very high	93.6	Very high	24 Å²	24	67.6 Å²	67.6	17%	0.168	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	140.6	172.7	-170.8	0	0	0	0	110.3	F51 S54 K57 F97	S49-F51 PolarHBondContact OG-N 2.6Å; S49-F51 VanDerWaalsContact OG-N 3.14Å; S49-F51 PolarHBondContact OG-O 3.27Å; S49-S54 WeakPolarHBondContact OG-CB 3.41Å; S49-K57 PolarHBondContact N-O 3.19Å; S49-F97 CarbonylContact C-O 3.56Å; S49-F97 WeakPolarHBondContact CA-O 3.29Å; S49-F97 PolarHBondContact OG-O 2.83Å
50	N	93.2	Very high	93.5	Very high	81 Å²	81	58.4 Å²	58.4	43%	0.433	29%	0.287	S	S	.	.	S	Bend	trans	-78.5	-11.7	169.6	-63.2	-26.4	0	0	0	111.7	K95 A96 F97	N50-K95 PolarHBondContact ND2-O 2.88Å; N50-A96 PolarHBondContact ND2-O 3.3Å; N50-F97 PolarHBondContact N-O 3.18Å
51	F	91.5	Very high	93.5	Very high	110 Å²	110	58.5 Å²	58.5	48%	0.482	29%	0.288	S	S	.	.			trans	-106.9	123.6	-176.2	-63.1	-81	0	0	0	111.1	S49 R53 S54 F97	S49-F51 PolarHBondContact OG-N 2.6Å; S49-F51 VanDerWaalsContact OG-N 3.14Å; S49-F51 PolarHBondContact OG-O 3.27Å; F51-R53 PolarHBondContact O-N 2.74Å; F51-S54 WeakPolarHBondContact O-CB 3.2Å; F51-S54 PolarHBondContact O-N 2.72Å; F51-S54 VanDerWaalsContact O-N 3.17Å; F51-F97 HydrophobicContact CD2-CD1 4.02Å; F51-F97 HydrophobicContact CE2-CB 4.39Å; F51-F97 AromaticContact CE2-CD1 3.43Å; F51-F97 HydrophobicContact CE2-CD1 3.43Å; F51-F97 VanDerWaalsContact CE2-CD1 3.43Å; F51-F97 AromaticContact CE2-CE1 3.98Å; F51-F97 HydrophobicContact CE2-CE1 3.98Å; F51-F97 HydrophobicContact CE2-CG 4.17Å; F51-F97 HydrophobicContact CZ-CD1 4.33Å; F51-F97 HydrophobicContact CZ-CE1 4.47Å
52	S	83	Confident	93.4	Very high	113 Å²	113	56.2 Å²	56.2	79%	0.79	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.3	179.8	56.7	0	0	0	0	113.8
53	R	86.9	Confident	93.4	Very high	239 Å²	239	56.8 Å²	56.8	90%	0.902	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	11.3	179.2	-63.5	-173	-179.5	-178.7	0.6	114.2	F51	F51-R53 PolarHBondContact O-N 2.74Å
54	S	87.1	Confident	93.4	Very high	28 Å²	28	53.4 Å²	53.4	20%	0.196	27%	0.266	C	S	.	.			trans	-63.8	138.1	176.3	-172.5	0	0	0	0	111.2	S49 F51 C56	S49-S54 WeakPolarHBondContact OG-CB 3.41Å; F51-S54 WeakPolarHBondContact O-CB 3.2Å; F51-S54 PolarHBondContact O-N 2.72Å; F51-S54 VanDerWaalsContact O-N 3.17Å; S54-C56 VanDerWaalsContact C-N 3.3Å; S54-C56 WeakPolarHBondContact CB-O 3.5Å; S54-C56 PolarHBondContact OG-N 3.49Å; S54-C56 PolarHBondContact OG-O 3.34Å
55	Q	87.8	Confident	93.4	Very high	196 Å²	196	56.5 Å²	56.5	92%	0.916	29%	0.285	S	S	*	.	S	Bend	trans	-67.6	-32.8	172.8	-67.9	-179	-6.4	0	0	111.8
56	C	90.7	Very high	93.2	Very high	26 Å²	26	58.1 Å²	58.1	18%	0.176	29%	0.29	C	S	.	.			trans	-111.3	104.2	171.4	177.5	0	0	0	0	107.6	S54 Y98	S54-C56 VanDerWaalsContact C-N 3.3Å; S54-C56 WeakPolarHBondContact CB-O 3.5Å; S54-C56 PolarHBondContact OG-N 3.49Å; S54-C56 PolarHBondContact OG-O 3.34Å; C56-Y98 PolarHBondContact O-OH 2.94Å
57	K	93.8	Very high	93.1	Very high	127 Å²	127	59.6 Å²	59.6	55%	0.552	30%	0.295	S	S	*	.			trans	-85.8	-30.1	-177.2	-56	175.5	178.2	172.6	0	110.9	F48 S49 D76	F48-K57 CarbonylContact C-O 3.56Å; F48-K57 WeakPolarHBondContact CA-O 3.23Å; S49-K57 PolarHBondContact N-O 3.19Å; K57-D76 VanDerWaalsContact CA-OD2 3.29Å; K57-D76 WeakPolarHBondContact CA-OD2 3.33Å; K57-D76 WeakPolarHBondContact CB-OD2 3.35Å; K57-D76 PolarHBondContact N-OD2 2.98Å
58	T	93.6	Very high	93	Very high	37 Å²	37	64.1 Å²	64.1	23%	0.227	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	144	176.1	175.2	0	0	0	0	111.7	V46 Y47 D76	V46-T58 WeakPolarHBondContact CG1-OG1 3.45Å; Y47-T58 WeakPolarHBondContact O-CA 3.28Å; Y47-T58 PolarHBondContact O-OG1 3.39Å; T58-D76 HydrophobicContact CG2-CB 3.66Å; T58-D76 PolarHBondContact N-OD2 2.86Å; T58-D76 PolarHBondContact O-N 2.94Å
59	F	95.4	Very high	93	Very high	18 Å²	18	64.1 Å²	64.1	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	153	168.4	67.2	-89.4	0	0	0	111.3	V46 Y47 V61 V73 F74 P91 Y98	V46-F59 WeakPolarHBondContact CA-O 3.25Å; Y47-F59 HydrophobicContact CD1-CZ 4.45Å; Y47-F59 AromaticContact CD2-CD2 3.87Å; Y47-F59 HydrophobicContact CD2-CD2 3.87Å; Y47-F59 AromaticContact CD2-CE2 3.29Å; Y47-F59 HydrophobicContact CD2-CE2 3.29Å; Y47-F59 AromaticContact CD2-CZ 3.68Å; Y47-F59 HydrophobicContact CD2-CZ 3.68Å; Y47-F59 AromaticContact CE2-CE2 3.91Å; Y47-F59 HydrophobicContact CE2-CE2 3.91Å; Y47-F59 HydrophobicContact CE2-CZ 4.46Å; Y47-F59 HydrophobicContact CG-CD2 4.5Å; Y47-F59 HydrophobicContact CG-CE1 4.26Å; Y47-F59 AromaticContact CG-CE2 3.78Å; Y47-F59 HydrophobicContact CG-CE2 3.78Å; Y47-F59 AromaticContact CG-CZ 3.64Å; Y47-F59 HydrophobicContact CG-CZ 3.64Å; Y47-F59 PolarHBondContact N-O 3.29Å; Y47-F59 PolarHBondContact O-N 3.02Å; Y47-F59 VanDerWaalsContact O-N 3.07Å; F59-V61 HydrophobicContact CD2-CG2 3.91Å; F59-V61 HydrophobicContact CE2-CG2 3.76Å; F59-V73 HydrophobicContact CB-CG1 4.44Å; F59-V73 HydrophobicContact CD2-CG1 4.06Å; F59-F74 CarbonylContact C-O 3.56Å; F59-F74 VanDerWaalsContact CA-O 3.27Å; F59-F74 WeakPolarHBondContact CA-O 3.21Å; F59-P91 HydrophobicContact CE2-CB 4.34Å; F59-P91 HydrophobicContact CE2-CG 3.71Å; F59-P91 HydrophobicContact CZ-CB 3.96Å; F59-P91 HydrophobicContact CZ-CG 3.73Å; F59-Y98 HydrophobicContact CD1-CD1 4.09Å; F59-Y98 AromaticContact CD1-CE1 3.88Å; F59-Y98 HydrophobicContact CD1-CE1 3.88Å; F59-Y98 AromaticContact CE1-CD1 3.5Å; F59-Y98 HydrophobicContact CE1-CD1 3.5Å; F59-Y98 VanDerWaalsContact CE1-CD1 3.5Å; F59-Y98 HydrophobicContact CE1-CD2 4.17Å; F59-Y98 AromaticContact CE1-CE1 3.62Å; F59-Y98 HydrophobicContact CE1-CE1 3.62Å; F59-Y98 HydrophobicContact CE1-CE2 4.28Å; F59-Y98 AromaticContact CE1-CG 3.79Å; F59-Y98 HydrophobicContact CE1-CG 3.79Å; F59-Y98 HydrophobicContact CZ-CG 4.49Å
60	Q	95.7	Very high	93	Very high	6 Å²	6	64.7 Å²	64.7	3%	0.028	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.3	178.6	175.4	178.9	1.2	0	0	108.4	S44 A45 V73 F74 N233	S44-Q60 WeakPolarHBondContact OG-CG 3.37Å; S44-Q60 PolarHBondContact OG-NE2 3.36Å; A45-Q60 CarbonylContact O-C 3.59Å; A45-Q60 VanDerWaalsContact O-CA 3.29Å; A45-Q60 WeakPolarHBondContact O-CA 3.4Å; Q60-V73 CarbonylContact O-C 3.57Å; Q60-V73 VanDerWaalsContact O-CA 3.31Å; Q60-V73 WeakPolarHBondContact O-CA 3.44Å; Q60-F74 HydrophobicContact CB-CB 4.35Å; Q60-F74 PolarHBondContact N-O 2.8Å; Q60-F74 PolarHBondContact O-N 2.96Å; Q60-N233 PolarHBondContact OE1-ND2 3.12Å; Q60-N233 PolarHBondContact OE1-OD1 2.87Å
61	V	97.1	Very high	93.2	Very high	6 Å²	6	60.9 Å²	60.9	4%	0.036	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.6	167.8	-177.4	0	0	0	0	107.3	S44 A45 Y47 F59 C71 F72 V73 F87 R88	S44-V61 CarbonylContact C-O 3.58Å; S44-V61 WeakPolarHBondContact CA-O 3.33Å; A45-V61 PolarHBondContact N-O 2.97Å; A45-V61 PolarHBondContact O-N 2.84Å; Y47-V61 HydrophobicContact CD2-CG2 4.28Å; Y47-V61 HydrophobicContact CE2-CB 4.32Å; Y47-V61 HydrophobicContact CE2-CG2 3.8Å; F59-V61 HydrophobicContact CD2-CG2 3.91Å; F59-V61 HydrophobicContact CE2-CG2 3.76Å; V61-C71 HydrophobicContact CG1-CB 4.01Å; V61-F72 CarbonylContact C-O 3.54Å; V61-F72 WeakPolarHBondContact CA-O 3.44Å; V61-V73 HydrophobicContact CG2-CG2 4.45Å; V61-F87 HydrophobicContact CG2-CD1 4.49Å; V61-F87 HydrophobicContact CG2-CE1 4.24Å; V61-R88 HydrophobicContact CG1-CB 4.35Å
62	L	97.4	Very high	93.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.3	-180	-170	75.3	0	0	0	109.1	I42 E43 C71 F72 F74 M225 I232	I42-L62 HydrophobicContact CG2-CD1 3.45Å; I42-L62 VanDerWaalsContact CG2-CD1 3.45Å; I42-L62 HydrophobicContact CG2-CG 4.05Å; E43-L62 CarbonylContact O-C 3.52Å; E43-L62 WeakPolarHBondContact O-CA 3.17Å; L62-C71 CarbonylContact O-C 3.55Å; L62-C71 WeakPolarHBondContact O-CA 3.46Å; L62-F72 HydrophobicContact CB-CB 4.27Å; L62-F72 PolarHBondContact N-O 2.8Å; L62-F72 PolarHBondContact O-N 2.94Å; L62-F74 HydrophobicContact CB-CE2 4.09Å; L62-F74 HydrophobicContact CD2-CE2 4.05Å; L62-M225 HydrophobicContact CD2-CB 4.22Å; L62-M225 WeakPolarHBondContact CD2-O 3.23Å; L62-M225 HydrophobicContact CD2-SD 4.06Å; L62-I232 HydrophobicContact CD1-CD1 3.86Å
63	T	97.2	Very high	94	Very high	14 Å²	14	51 Å²	51	9%	0.086	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	151	173.6	57.4	0	0	0	0	109	I42 E43 C71 I85	I42-T63 VanDerWaalsContact CA-O 3.25Å; I42-T63 WeakPolarHBondContact CA-O 2.89Å; I42-T63 WeakPolarHBondContact CG2-O 3.32Å; E43-T63 WeakPolarHBondContact CB-OG1 3.21Å; E43-T63 PolarHBondContact N-O 3.44Å; E43-T63 PolarHBondContact O-N 2.88Å; E43-T63 PolarHBondContact O-OG1 3.38Å; E43-T63 PolarHBondContact OE2-OG1 2.95Å; T63-C71 HydrophobicContact CG2-CB 3.85Å; T63-I85 HydrophobicContact CG2-CD1 3.71Å
64	S	96.8	Very high	94.3	Very high	7 Å²	7	41 Å²	41	5%	0.049	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	142.6	177.3	174	0	0	0	0	109.9	H41 E66 Y67	H41-S64 CarbonylContact O-C 3.52Å; H41-S64 WeakPolarHBondContact O-CA 3.43Å; S64-E66 PolarHBondContact O-N 3.47Å; S64-E66 PolarHBondContact OG-N 3.08Å; S64-Y67 CarbonylContact O-C 3.55Å; S64-Y67 VanDerWaalsContact O-C 3.31Å; S64-Y67 PolarHBondContact O-N 2.74Å
65	T	96.4	Very high	94.6	Very high	68 Å²	68	40.8 Å²	40.8	42%	0.417	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.6	172.5	49.1	0	0	0	0	113.4	H41 Y67	H41-T65 HydrophobicContact CB-CG2 3.69Å; H41-T65 PolarHBondContact N-OG1 2.93Å; H41-T65 PolarHBondContact O-N 3.09Å; T65-Y67 PolarHBondContact O-N 2.82Å
66	E	92.6	Very high	94.7	Very high	48 Å²	48	34.7 Å²	34.7	22%	0.224	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-19.8	173.6	-61.4	-62.2	122	0	0	112.5	M1 I40 S64 K112	M1-E66 HydrophobicContact SD-CG 4.44Å; M1-E66 VanDerWaalsContact SD-OE2 3.4Å; I40-E66 HydrophobicContact CD1-CG 3.88Å; I40-E66 HydrophobicContact CG1-CG 4.29Å; S64-E66 PolarHBondContact O-N 3.47Å; S64-E66 PolarHBondContact OG-N 3.08Å; E66-K112 IonicContact OE1-NZ 3.41Å; E66-K112 PolarHBondContact OE1-NZ 3.41Å; E66-K112 IonicContact OE2-NZ 2.64Å; E66-K112 PolarHBondContact OE2-NZ 2.85Å
67	Y	93.6	Very high	94.5	Very high	39 Å²	39	37.7 Å²	37.7	15%	0.153	21%	0.213	C	C	.	.	S	Bend	trans	-133.5	65.2	-178.5	-53.3	-74.5	0	0	0	110	S64 T65 A69 S70 F72 V221 M225	S64-Y67 CarbonylContact O-C 3.55Å; S64-Y67 VanDerWaalsContact O-C 3.31Å; S64-Y67 PolarHBondContact O-N 2.74Å; T65-Y67 PolarHBondContact O-N 2.82Å; Y67-A69 PolarHBondContact O-N 2.88Å; Y67-A69 VanDerWaalsContact O-N 3.09Å; Y67-S70 PolarHBondContact O-N 2.95Å; Y67-F72 AromaticContact CD2-CE2 3.98Å; Y67-F72 HydrophobicContact CD2-CE2 3.98Å; Y67-F72 HydrophobicContact CD2-CZ 4.06Å; Y67-F72 HydrophobicContact CG-CE2 4.16Å; Y67-F72 HydrophobicContact CG-CZ 4.09Å; Y67-V221 HydrophobicContact CD1-CG1 4.07Å; Y67-V221 HydrophobicContact CD2-CG1 4.23Å; Y67-V221 HydrophobicContact CE1-CB 4.2Å; Y67-V221 HydrophobicContact CE1-CG1 3.49Å; Y67-V221 VanDerWaalsContact CE1-CG1 3.49Å; Y67-V221 HydrophobicContact CE1-CG2 3.6Å; Y67-V221 HydrophobicContact CE2-CG1 3.71Å; Y67-V221 HydrophobicContact CG-CG1 4.41Å; Y67-V221 WeakPolarHBondContact OH-CG2 3.46Å; Y67-M225 HydrophobicContact CD2-CE 4.19Å; Y67-M225 HydrophobicContact CD2-SD 4.35Å; Y67-M225 HydrophobicContact CE2-CE 3.72Å; Y67-M225 HydrophobicContact CE2-SD 4.42Å
68	P	94.4	Very high	94	Very high	99 Å²	99	40.7 Å²	40.7	64%	0.643	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-23.6	-169.2	25.5	-35.1	0	0	0	113.9	I85	P68-I85 WeakPolarHBondContact O-CG1 3.32Å
69	A	94.7	Very high	93.6	Very high	61 Å²	61	41.4 Å²	41.4	50%	0.504	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-4.1	178.4	0	0	0	0	0	114	Y67 I85	Y67-A69 PolarHBondContact O-N 2.88Å; Y67-A69 VanDerWaalsContact O-N 3.09Å; A69-I85 WeakPolarHBondContact O-CB 3.25Å; A69-I85 PolarHBondContact O-N 2.81Å
70	S	94.6	Very high	93.4	Very high	36 Å²	36	41.5 Å²	41.5	25%	0.252	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.1	-172.5	-52.3	0	0	0	0	112.7	Y67 A83	Y67-S70 PolarHBondContact O-N 2.95Å; S70-A83 CarbonylContact C-O 3.56Å; S70-A83 WeakPolarHBondContact CA-O 3.25Å
71	C	96.3	Very high	93.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	156.1	163.7	72	0	0	0	0	110.8	V61 L62 T63 A83 D84 I85	V61-C71 HydrophobicContact CG1-CB 4.01Å; L62-C71 CarbonylContact O-C 3.55Å; L62-C71 WeakPolarHBondContact O-CA 3.46Å; T63-C71 HydrophobicContact CG2-CB 3.85Å; C71-A83 PolarHBondContact N-O 2.87Å; C71-A83 PolarHBondContact O-N 3Å; C71-D84 PolarHBondContact SG-O 2.85Å; C71-D84 VanDerWaalsContact SG-O 3.42Å; C71-I85 HydrophobicContact CB-CD1 4.15Å
72	F	95.7	Very high	93	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.6	-177.8	-57.2	-95.7	0	0	0	108.7	V61 L62 Y67 F74 L81 V82 V221 R222 M225	V61-F72 CarbonylContact C-O 3.54Å; V61-F72 WeakPolarHBondContact CA-O 3.44Å; L62-F72 HydrophobicContact CB-CB 4.27Å; L62-F72 PolarHBondContact N-O 2.8Å; L62-F72 PolarHBondContact O-N 2.94Å; Y67-F72 AromaticContact CD2-CE2 3.98Å; Y67-F72 HydrophobicContact CD2-CE2 3.98Å; Y67-F72 HydrophobicContact CD2-CZ 4.06Å; Y67-F72 HydrophobicContact CG-CE2 4.16Å; Y67-F72 HydrophobicContact CG-CZ 4.09Å; F72-F74 HydrophobicContact CB-CE2 3.63Å; F72-F74 HydrophobicContact CB-CZ 3.87Å; F72-L81 CarbonylContact C-O 3.58Å; F72-L81 WeakPolarHBondContact CA-O 3.29Å; F72-V82 HydrophobicContact CD1-CG2 3.86Å; F72-V82 HydrophobicContact CE1-CG1 4.2Å; F72-V82 HydrophobicContact CE1-CG2 3.81Å; F72-V221 HydrophobicContact CE1-CG1 3.9Å; F72-V221 HydrophobicContact CZ-CG1 3.68Å; F72-R222 HydrophobicContact CE1-CG 4.49Å; F72-M225 HydrophobicContact CB-CB 4.35Å; F72-M225 HydrophobicContact CD1-CB 3.8Å; F72-M225 HydrophobicContact CD1-CG 3.76Å; F72-M225 HydrophobicContact CD2-CB 4.18Å; F72-M225 HydrophobicContact CD2-CG 3.66Å; F72-M225 HydrophobicContact CD2-SD 3.96Å; F72-M225 HydrophobicContact CE1-CB 4.14Å; F72-M225 HydrophobicContact CE1-CG 3.66Å; F72-M225 HydrophobicContact CE2-CG 3.56Å; F72-M225 HydrophobicContact CE2-SD 3.87Å; F72-M225 HydrophobicContact CG-CB 3.84Å; F72-M225 HydrophobicContact CG-CG 3.78Å; F72-M225 HydrophobicContact CZ-CB 4.49Å; F72-M225 HydrophobicContact CZ-CG 3.56Å; F72-M225 HydrophobicContact CZ-SD 4.4Å
73	V	95.5	Very high	92.8	Very high	11 Å²	11	48.6 Å²	48.6	7%	0.067	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.2	-175.5	-171.8	0	0	0	0	109	F59 Q60 V61 A80 L81 F87	F59-V73 HydrophobicContact CB-CG1 4.44Å; F59-V73 HydrophobicContact CD2-CG1 4.06Å; Q60-V73 CarbonylContact O-C 3.57Å; Q60-V73 VanDerWaalsContact O-CA 3.31Å; Q60-V73 WeakPolarHBondContact O-CA 3.44Å; V61-V73 HydrophobicContact CG2-CG2 4.45Å; V73-A80 CarbonylContact O-C 3.59Å; V73-A80 WeakPolarHBondContact O-CA 3.44Å; V73-L81 HydrophobicContact CB-CB 4.28Å; V73-L81 PolarHBondContact N-O 3.14Å; V73-L81 PolarHBondContact O-N 3.34Å; V73-F87 HydrophobicContact CB-CE1 4.46Å; V73-F87 HydrophobicContact CG1-CE1 4.2Å; V73-F87 HydrophobicContact CG2-CD1 3.62Å; V73-F87 HydrophobicContact CG2-CE1 3.43Å; V73-F87 VanDerWaalsContact CG2-CE1 3.43Å; V73-F87 HydrophobicContact CG2-CZ 4.33Å
74	F	94.4	Very high	92.7	Very high	27 Å²	27	52.3 Å²	52.3	12%	0.118	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.5	178.9	-55.8	-81.6	0	0	0	109.4	F59 Q60 L62 F72 T79 A80 M225 T226 A229	F59-F74 CarbonylContact C-O 3.56Å; F59-F74 VanDerWaalsContact CA-O 3.27Å; F59-F74 WeakPolarHBondContact CA-O 3.21Å; Q60-F74 HydrophobicContact CB-CB 4.35Å; Q60-F74 PolarHBondContact N-O 2.8Å; Q60-F74 PolarHBondContact O-N 2.96Å; L62-F74 HydrophobicContact CB-CE2 4.09Å; L62-F74 HydrophobicContact CD2-CE2 4.05Å; F72-F74 HydrophobicContact CB-CE2 3.63Å; F72-F74 HydrophobicContact CB-CZ 3.87Å; F74-T79 WeakPolarHBondContact CA-O 3.45Å; F74-A80 HydrophobicContact CD1-CB 3.78Å; F74-A80 HydrophobicContact CE1-CB 3.73Å; F74-M225 HydrophobicContact CZ-CB 4.12Å; F74-T226 HydrophobicContact CE1-CG2 4.27Å; F74-T226 VanDerWaalsContact CE1-OG1 3.32Å; F74-T226 WeakPolarHBondContact CE1-OG1 3.31Å; F74-A229 HydrophobicContact CD1-CB 4.44Å; F74-A229 HydrophobicContact CD2-CB 3.61Å; F74-A229 HydrophobicContact CE1-CB 4.48Å; F74-A229 HydrophobicContact CE2-CB 3.66Å; F74-A229 HydrophobicContact CG-CB 4.02Å; F74-A229 HydrophobicContact CZ-CB 4.11Å
75	S	92.6	Very high	92.7	Very high	25 Å²	25	53.6 Å²	53.6	18%	0.175	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	161.6	176.7	41.1	0	0	0	0	112.6	N77 Q78 T79	S75-N77 VanDerWaalsContact CB-OD1 3.3Å; S75-N77 WeakPolarHBondContact CB-OD1 2.87Å; S75-N77 PolarHBondContact O-N 2.81Å; S75-N77 PolarHBondContact OG-OD1 2.91Å; S75-Q78 PolarHBondContact O-N 3.16Å; S75-T79 PolarHBondContact N-O 3.33Å; S75-T79 WeakPolarHBondContact OG-CB 3.23Å; S75-T79 PolarHBondContact OG-O 3.32Å
76	D	89.6	Confident	92.6	Very high	68 Å²	68	54.1 Å²	54.1	36%	0.364	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.2	175.6	52	0	0	0	0	115	K57 T58 Q78	K57-D76 VanDerWaalsContact CA-OD2 3.29Å; K57-D76 WeakPolarHBondContact CA-OD2 3.33Å; K57-D76 WeakPolarHBondContact CB-OD2 3.35Å; K57-D76 PolarHBondContact N-OD2 2.98Å; T58-D76 HydrophobicContact CG2-CB 3.66Å; T58-D76 PolarHBondContact N-OD2 2.86Å; T58-D76 PolarHBondContact O-N 2.94Å; D76-Q78 PolarHBondContact O-N 3.02Å
77	N	86.2	Confident	92.7	Very high	89 Å²	89	54.8 Å²	54.8	48%	0.476	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	16.6	171.8	72.5	-5.5	0	0	0	113.7	S75 T79	S75-N77 VanDerWaalsContact CB-OD1 3.3Å; S75-N77 WeakPolarHBondContact CB-OD1 2.87Å; S75-N77 PolarHBondContact O-N 2.81Å; S75-N77 PolarHBondContact OG-OD1 2.91Å; N77-T79 VanDerWaalsContact CG-OG1 3.31Å; N77-T79 PolarHBondContact ND2-OG1 2.64Å; N77-T79 PolarHBondContact O-N 2.81Å; N77-T79 VanDerWaalsContact OD1-CB 3.28Å; N77-T79 WeakPolarHBondContact OD1-CB 3.28Å; N77-T79 PolarHBondContact OD1-N 3.26Å; N77-T79 VanDerWaalsContact OD1-N 3.12Å; N77-T79 PolarHBondContact OD1-OG1 2.84Å
78	Q	83.3	Confident	92.6	Very high	190 Å²	190	56.7 Å²	56.7	89%	0.888	32%	0.321	S	S	*	.	S	Bend	trans	62.4	21.3	179.7	-52.6	175.5	36.7	0	0	114.4	S75 D76	S75-Q78 PolarHBondContact O-N 3.16Å; D76-Q78 PolarHBondContact O-N 3.02Å
79	T	87	Confident	92.5	Very high	52 Å²	52	57.7 Å²	57.7	32%	0.319	32%	0.317	S	S	.	.			trans	-83.6	130	172.5	-53.1	0	0	0	0	109.9	F74 S75 N77 L81	F74-T79 WeakPolarHBondContact CA-O 3.45Å; S75-T79 PolarHBondContact N-O 3.33Å; S75-T79 WeakPolarHBondContact OG-CB 3.23Å; S75-T79 PolarHBondContact OG-O 3.32Å; N77-T79 VanDerWaalsContact CG-OG1 3.31Å; N77-T79 PolarHBondContact ND2-OG1 2.64Å; N77-T79 PolarHBondContact O-N 2.81Å; N77-T79 VanDerWaalsContact OD1-CB 3.28Å; N77-T79 WeakPolarHBondContact OD1-CB 3.28Å; N77-T79 PolarHBondContact OD1-N 3.26Å; N77-T79 VanDerWaalsContact OD1-N 3.12Å; N77-T79 PolarHBondContact OD1-OG1 2.84Å; T79-L81 HydrophobicContact CG2-CD1 4.41Å; T79-L81 HydrophobicContact CG2-CD2 3.72Å; T79-L81 HydrophobicContact CG2-CG 3.84Å
80	A	89.3	Confident	92.4	Very high	19 Å²	19	59.6 Å²	59.6	16%	0.157	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	112.5	172.5	0	0	0	0	0	110.1	V73 F74 R222	V73-A80 CarbonylContact O-C 3.59Å; V73-A80 WeakPolarHBondContact O-CA 3.44Å; F74-A80 HydrophobicContact CD1-CB 3.78Å; F74-A80 HydrophobicContact CE1-CB 3.73Å; A80-R222 PolarHBondContact O-NH2 2.83Å
81	L	91.9	Very high	92.1	Very high	95 Å²	95	58 Å²	58	50%	0.497	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	149.5	179	-55.4	174.7	0	0	0	110.9	F72 V73 T79	F72-L81 CarbonylContact C-O 3.58Å; F72-L81 WeakPolarHBondContact CA-O 3.29Å; V73-L81 HydrophobicContact CB-CB 4.28Å; V73-L81 PolarHBondContact N-O 3.14Å; V73-L81 PolarHBondContact O-N 3.34Å; T79-L81 HydrophobicContact CG2-CD1 4.41Å; T79-L81 HydrophobicContact CG2-CD2 3.72Å; T79-L81 HydrophobicContact CG2-CG 3.84Å
82	V	93	Very high	91.7	Very high	39 Å²	39	59.3 Å²	59.3	24%	0.236	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.8	166	-172.5	0	0	0	0	107	F72 R222	F72-V82 HydrophobicContact CD1-CG2 3.86Å; F72-V82 HydrophobicContact CE1-CG1 4.2Å; F72-V82 HydrophobicContact CE1-CG2 3.81Å; V82-R222 HydrophobicContact CG2-CG 3.76Å
83	A	93.3	Very high	91.5	Very high	27 Å²	27	64.1 Å²	64.1	22%	0.223	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	161.3	179.7	0	0	0	0	0	110.4	S70 C71 F87	S70-A83 CarbonylContact C-O 3.56Å; S70-A83 WeakPolarHBondContact CA-O 3.25Å; C71-A83 PolarHBondContact N-O 2.87Å; C71-A83 PolarHBondContact O-N 3Å; A83-F87 HydrophobicContact CB-CB 3.81Å; A83-F87 HydrophobicContact CB-CD1 4.44Å; A83-F87 HydrophobicContact CB-CD2 4.5Å; A83-F87 HydrophobicContact CB-CG 4Å
84	D	95.9	Very high	91.2	Very high	93 Å²	93	66 Å²	66	50%	0.497	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	149	168.7	-177.5	-88.8	0	0	0	110.6	C71 S86 F87	C71-D84 PolarHBondContact SG-O 2.85Å; C71-D84 VanDerWaalsContact SG-O 3.42Å; D84-S86 PolarHBondContact O-N 2.99Å; D84-S86 VanDerWaalsContact O-N 3.12Å; D84-S86 WeakPolarHBondContact OD1-CB 3.19Å; D84-S86 PolarHBondContact OD1-N 3.38Å; D84-S86 PolarHBondContact OD1-OG 2.97Å; D84-F87 VanDerWaalsContact O-CB 3.26Å; D84-F87 WeakPolarHBondContact O-CB 3.43Å; D84-F87 PolarHBondContact O-N 3.43Å
85	I	95.8	Very high	91	Very high	34 Å²	34	72.3 Å²	72.3	17%	0.174	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-58.4	-26.2	-177.4	-165	57	0	0	0	114.4	T63 P68 A69 C71 F87 R88	T63-I85 HydrophobicContact CG2-CD1 3.71Å; P68-I85 WeakPolarHBondContact O-CG1 3.32Å; A69-I85 WeakPolarHBondContact O-CB 3.25Å; A69-I85 PolarHBondContact O-N 2.81Å; C71-I85 HydrophobicContact CB-CD1 4.15Å; I85-F87 PolarHBondContact O-N 3.44Å; I85-R88 WeakPolarHBondContact O-CB 3.28Å; I85-R88 WeakPolarHBondContact O-CG 3.34Å; I85-R88 PolarHBondContact O-N 3.36Å; I85-R88 PolarHBondContact O-NE 2.84Å
86	S	94.6	Very high	91	Very high	78 Å²	78	74.4 Å²	74.4	55%	0.545	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-60.7	-25.4	173.9	59.7	0	0	0	0	113.1	D84 R88 E89	D84-S86 PolarHBondContact O-N 2.99Å; D84-S86 VanDerWaalsContact O-N 3.12Å; D84-S86 WeakPolarHBondContact OD1-CB 3.19Å; D84-S86 PolarHBondContact OD1-N 3.38Å; D84-S86 PolarHBondContact OD1-OG 2.97Å; S86-R88 PolarHBondContact O-N 2.91Å; S86-R88 VanDerWaalsContact O-N 3.1Å; S86-E89 PolarHBondContact O-N 3.35Å; S86-E89 VanDerWaalsContact O-N 3.14Å
87	F	95	Very high	91.2	Very high	63 Å²	63	76.2 Å²	76.2	28%	0.276	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-60.9	-22.1	176.4	-174.6	-89.8	0	0	0	112.4	V61 V73 A83 D84 I85 E89 F90 P91	V61-F87 HydrophobicContact CG2-CD1 4.49Å; V61-F87 HydrophobicContact CG2-CE1 4.24Å; V73-F87 HydrophobicContact CB-CE1 4.46Å; V73-F87 HydrophobicContact CG1-CE1 4.2Å; V73-F87 HydrophobicContact CG2-CD1 3.62Å; V73-F87 HydrophobicContact CG2-CE1 3.43Å; V73-F87 VanDerWaalsContact CG2-CE1 3.43Å; V73-F87 HydrophobicContact CG2-CZ 4.33Å; A83-F87 HydrophobicContact CB-CB 3.81Å; A83-F87 HydrophobicContact CB-CD1 4.44Å; A83-F87 HydrophobicContact CB-CD2 4.5Å; A83-F87 HydrophobicContact CB-CG 4Å; D84-F87 VanDerWaalsContact O-CB 3.26Å; D84-F87 WeakPolarHBondContact O-CB 3.43Å; D84-F87 PolarHBondContact O-N 3.43Å; I85-F87 PolarHBondContact O-N 3.44Å; F87-E89 PolarHBondContact O-N 3.11Å; F87-E89 VanDerWaalsContact O-N 3.16Å; F87-F90 HydrophobicContact CD2-CB 4.21Å; F87-F90 HydrophobicContact CD2-CD1 4.09Å; F87-F90 HydrophobicContact CD2-CG 4.36Å; F87-F90 AromaticContact CE2-CD1 3.63Å; F87-F90 HydrophobicContact CE2-CD1 3.63Å; F87-F90 HydrophobicContact CE2-CE1 4.2Å; F87-F90 HydrophobicContact CE2-CG 4.35Å; F87-F90 HydrophobicContact CZ-CD1 4.16Å; F87-F90 WeakPolarHBondContact O-CB 3.49Å; F87-F90 PolarHBondContact O-N 3.36Å; F87-F90 VanDerWaalsContact O-N 3.15Å; F87-P91 WeakPolarHBondContact O-CD 3.46Å
88	R	92.4	Very high	91.6	Very high	79 Å²	79	73.8 Å²	73.8	30%	0.298	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-58.8	-30.7	176.9	89.1	173.1	82.2	-173.4	19.7	113.3	E43 Y47 V61 I85 S86	E43-R88 IonicContact OE2-NH1 3.85Å; Y47-R88 PolarHBondContact OH-O 3.4Å; V61-R88 HydrophobicContact CG1-CB 4.35Å; I85-R88 WeakPolarHBondContact O-CB 3.28Å; I85-R88 WeakPolarHBondContact O-CG 3.34Å; I85-R88 PolarHBondContact O-N 3.36Å; I85-R88 PolarHBondContact O-NE 2.84Å; S86-R88 PolarHBondContact O-N 2.91Å; S86-R88 VanDerWaalsContact O-N 3.1Å
89	E	92.2	Very high	92.1	Very high	119 Å²	119	69.4 Å²	69.4	56%	0.556	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-25.5	-178.9	-61.4	-52.2	140.5	0	0	112	S86 F87 G92	S86-E89 PolarHBondContact O-N 3.35Å; S86-E89 VanDerWaalsContact O-N 3.14Å; F87-E89 PolarHBondContact O-N 3.11Å; F87-E89 VanDerWaalsContact O-N 3.16Å; E89-G92 WeakPolarHBondContact O-CA 3.44Å; E89-G92 PolarHBondContact O-N 3.27Å
90	F	91.7	Very high	92.4	Very high	101 Å²	101	71.7 Å²	71.7	44%	0.443	38%	0.377	S	S	.	.	H	α-helix	trans	-54.9	-43.1	-176.2	178	-102.2	0	0	0	114.4	F87 G92 C93 L94	F87-F90 HydrophobicContact CD2-CB 4.21Å; F87-F90 HydrophobicContact CD2-CD1 4.09Å; F87-F90 HydrophobicContact CD2-CG 4.36Å; F87-F90 AromaticContact CE2-CD1 3.63Å; F87-F90 HydrophobicContact CE2-CD1 3.63Å; F87-F90 HydrophobicContact CE2-CE1 4.2Å; F87-F90 HydrophobicContact CE2-CG 4.35Å; F87-F90 HydrophobicContact CZ-CD1 4.16Å; F87-F90 WeakPolarHBondContact O-CB 3.49Å; F87-F90 PolarHBondContact O-N 3.36Å; F87-F90 VanDerWaalsContact O-N 3.15Å; F90-G92 PolarHBondContact O-N 3.45Å; F90-G92 VanDerWaalsContact O-N 3.1Å; F90-C93 VanDerWaalsContact O-CB 3.32Å; F90-C93 WeakPolarHBondContact O-CB 3.24Å; F90-C93 PolarHBondContact O-N 3.31Å; F90-L94 HydrophobicContact CD1-CD1 4.17Å; F90-L94 HydrophobicContact CE1-CD1 3.5Å; F90-L94 VanDerWaalsContact CE1-CD1 3.5Å; F90-L94 HydrophobicContact CE1-CG 4.2Å; F90-L94 HydrophobicContact CZ-CD1 3.91Å; F90-L94 HydrophobicContact CZ-CD2 4.48Å; F90-L94 HydrophobicContact CZ-CG 4.28Å
91	P	88.6	Confident	92.6	Very high	2 Å²	2	74.4 Å²	74.4	1%	0.013	39%	0.385	C	S	.	.	H	α-helix	trans	-56.9	-25.4	172.4	-29.4	36.6	0	0	0	114.5	Y47 F59 F87 C93 L94	Y47-P91 HydrophobicContact CD1-CB 3.6Å; Y47-P91 HydrophobicContact CD2-CB 4.25Å; Y47-P91 HydrophobicContact CD2-CG 4.33Å; Y47-P91 HydrophobicContact CE1-CB 3.23Å; Y47-P91 HydrophobicContact CE1-CG 4.1Å; Y47-P91 HydrophobicContact CE2-CB 3.93Å; Y47-P91 HydrophobicContact CE2-CG 3.88Å; Y47-P91 HydrophobicContact CG-CB 4.08Å; F59-P91 HydrophobicContact CE2-CB 4.34Å; F59-P91 HydrophobicContact CE2-CG 3.71Å; F59-P91 HydrophobicContact CZ-CB 3.96Å; F59-P91 HydrophobicContact CZ-CG 3.73Å; F87-P91 WeakPolarHBondContact O-CD 3.46Å; P91-C93 VanDerWaalsContact C-N 3.27Å; P91-C93 PolarHBondContact O-N 3.11Å; P91-L94 PolarHBondContact O-N 3.15Å; P91-L94 VanDerWaalsContact O-N 3.17Å
92	G	88.3	Confident	92.7	Very high	29 Å²	29	76.5 Å²	76.5	30%	0.299	39%	0.39	S	S	.	.	H	α-helix	trans	-68.1	-23.9	174	0	0	0	0	0	113.6	E89 F90 K95	E89-G92 WeakPolarHBondContact O-CA 3.44Å; E89-G92 PolarHBondContact O-N 3.27Å; F90-G92 PolarHBondContact O-N 3.45Å; F90-G92 VanDerWaalsContact O-N 3.1Å; G92-K95 WeakPolarHBondContact O-CD 3.48Å; G92-K95 WeakPolarHBondContact O-CE 3.42Å; G92-K95 VanDerWaalsContact O-CG 3.26Å; G92-K95 WeakPolarHBondContact O-CG 3.36Å
93	C	91.1	Very high	92.6	Very high	106 Å²	106	83.5 Å²	83.5	72%	0.716	42%	0.418	S	S	*	.	H	α-helix	trans	-78.6	-23.1	171.5	-58.6	0	0	0	0	111.9	F90 P91	F90-C93 VanDerWaalsContact O-CB 3.32Å; F90-C93 WeakPolarHBondContact O-CB 3.24Å; F90-C93 PolarHBondContact O-N 3.31Å; P91-C93 VanDerWaalsContact C-N 3.27Å; P91-C93 PolarHBondContact O-N 3.11Å
94	L	90	Very high	92.7	Very high	51 Å²	51	83.1 Å²	83.1	27%	0.267	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	27	-178	-59.6	-178.1	0	0	0	113.5	F90 P91 A96 F97 Y98	F90-L94 HydrophobicContact CD1-CD1 4.17Å; F90-L94 HydrophobicContact CE1-CD1 3.5Å; F90-L94 VanDerWaalsContact CE1-CD1 3.5Å; F90-L94 HydrophobicContact CE1-CG 4.2Å; F90-L94 HydrophobicContact CZ-CD1 3.91Å; F90-L94 HydrophobicContact CZ-CD2 4.48Å; F90-L94 HydrophobicContact CZ-CG 4.28Å; P91-L94 PolarHBondContact O-N 3.15Å; P91-L94 VanDerWaalsContact O-N 3.17Å; L94-A96 PolarHBondContact O-N 2.9Å; L94-F97 HydrophobicContact CD2-CD2 4.41Å; L94-F97 WeakPolarHBondContact O-CA 3.36Å; L94-F97 PolarHBondContact O-N 2.99Å; L94-Y98 HydrophobicContact CB-CD2 4.32Å; L94-Y98 HydrophobicContact CD1-CD2 4.35Å; L94-Y98 PolarHBondContact O-N 3.42Å
95	K	89.7	Confident	92.6	Very high	159 Å²	159	81 Å²	81	69%	0.691	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-30.1	-175.7	-78.7	166.2	-174.1	172.9	0	114.6	N50 G92 F97 Y98	N50-K95 PolarHBondContact ND2-O 2.88Å; G92-K95 WeakPolarHBondContact O-CD 3.48Å; G92-K95 WeakPolarHBondContact O-CE 3.42Å; G92-K95 VanDerWaalsContact O-CG 3.26Å; G92-K95 WeakPolarHBondContact O-CG 3.36Å; K95-F97 VanDerWaalsContact C-N 3.31Å; K95-Y98 WeakPolarHBondContact CA-O 3.36Å
96	A	91.8	Very high	92.6	Very high	70 Å²	70	79.7 Å²	79.7	58%	0.579	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-32	175.1	0	0	0	0	0	112.7	N50 L94	N50-A96 PolarHBondContact ND2-O 3.3Å; L94-A96 PolarHBondContact O-N 2.9Å
97	F	93.3	Very high	92.7	Very high	106 Å²	106	79.3 Å²	79.3	47%	0.465	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-35.3	-177.5	-60	-86.4	0	0	0	113.2	S49 N50 F51 L94 K95	S49-F97 CarbonylContact C-O 3.56Å; S49-F97 WeakPolarHBondContact CA-O 3.29Å; S49-F97 PolarHBondContact OG-O 2.83Å; N50-F97 PolarHBondContact N-O 3.18Å; F51-F97 HydrophobicContact CD2-CD1 4.02Å; F51-F97 HydrophobicContact CE2-CB 4.39Å; F51-F97 AromaticContact CE2-CD1 3.43Å; F51-F97 HydrophobicContact CE2-CD1 3.43Å; F51-F97 VanDerWaalsContact CE2-CD1 3.43Å; F51-F97 AromaticContact CE2-CE1 3.98Å; F51-F97 HydrophobicContact CE2-CE1 3.98Å; F51-F97 HydrophobicContact CE2-CG 4.17Å; F51-F97 HydrophobicContact CZ-CD1 4.33Å; F51-F97 HydrophobicContact CZ-CE1 4.47Å; L94-F97 HydrophobicContact CD2-CD2 4.41Å; L94-F97 WeakPolarHBondContact O-CA 3.36Å; L94-F97 PolarHBondContact O-N 2.99Å; K95-F97 VanDerWaalsContact C-N 3.31Å
98	Y	94.5	Very high	92.8	Very high	37 Å²	37	76.4 Å²	76.4	15%	0.145	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.6	-174.5	-70.4	-80.6	0	0	0	112.1	F48 C56 F59 L94 K95	F48-Y98 CarbonylContact O-C 3.55Å; F48-Y98 VanDerWaalsContact O-CA 3.32Å; F48-Y98 WeakPolarHBondContact O-CA 3.39Å; C56-Y98 PolarHBondContact O-OH 2.94Å; F59-Y98 HydrophobicContact CD1-CD1 4.09Å; F59-Y98 AromaticContact CD1-CE1 3.88Å; F59-Y98 HydrophobicContact CD1-CE1 3.88Å; F59-Y98 AromaticContact CE1-CD1 3.5Å; F59-Y98 HydrophobicContact CE1-CD1 3.5Å; F59-Y98 VanDerWaalsContact CE1-CD1 3.5Å; F59-Y98 HydrophobicContact CE1-CD2 4.17Å; F59-Y98 AromaticContact CE1-CE1 3.62Å; F59-Y98 HydrophobicContact CE1-CE1 3.62Å; F59-Y98 HydrophobicContact CE1-CE2 4.28Å; F59-Y98 AromaticContact CE1-CG 3.79Å; F59-Y98 HydrophobicContact CE1-CG 3.79Å; F59-Y98 HydrophobicContact CZ-CG 4.49Å; L94-Y98 HydrophobicContact CB-CD2 4.32Å; L94-Y98 HydrophobicContact CD1-CD2 4.35Å; L94-Y98 PolarHBondContact O-N 3.42Å; K95-Y98 WeakPolarHBondContact CA-O 3.36Å
99	Q	93.9	Very high	93	Very high	98 Å²	98	77.3 Å²	77.3	46%	0.458	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.7	175.2	-169.6	-174.4	43.6	0	0	110.8	Y47 F48 K101	Y47-Q99 WeakPolarHBondContact CA-O 3.43Å; F48-Q99 PolarHBondContact N-O 2.85Å; F48-Q99 PolarHBondContact O-N 3.37Å; Q99-K101 PolarHBondContact O-N 3.47Å
100	R	94.5	Very high	93.2	Very high	100 Å²	100	72.1 Å²	72.1	38%	0.377	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	123.4	171.1	-169.4	-178.3	-94.5	-169.5	4.4	110	Y47 K102	Y47-R100 HydrophobicContact CD1-CB 3.77Å; Y47-R100 HydrophobicContact CD1-CG 4.19Å; Y47-R100 HydrophobicContact CE1-CB 3.59Å; Y47-R100 HydrophobicContact CE1-CG 3.74Å; Y47-R100 VanDerWaalsContact OH-CZ 3.25Å; Y47-R100 PolarHBondContact OH-NE 3.48Å; Y47-R100 PolarHBondContact OH-NH2 3.46Å; R100-K102 PolarHBondContact O-N 2.92Å
101	K	93.7	Very high	93.5	Very high	76 Å²	76	69.2 Å²	69.2	33%	0.33	34%	0.343	S	S	.	.			trans	-90.5	90.3	177.1	-66.1	-62.1	-173.2	-171.1	0	110.9	V46 F48 Q99 K103 L104 Q105	V46-K101 PolarHBondContact O-N 2.89Å; F48-K101 HydrophobicContact CD2-CB 4.21Å; F48-K101 HydrophobicContact CD2-CD 4.21Å; F48-K101 HydrophobicContact CD2-CG 3.2Å; F48-K101 HydrophobicContact CE2-CB 4.25Å; F48-K101 HydrophobicContact CE2-CG 3.55Å; F48-K101 HydrophobicContact CG-CG 4.04Å; Q99-K101 PolarHBondContact O-N 3.47Å; K101-K103 VanDerWaalsContact C-N 3.3Å; K101-K103 PolarHBondContact O-N 2.88Å; K101-L104 HydrophobicContact CB-CB 4.23Å; K101-L104 HydrophobicContact CB-CD1 3.75Å; K101-L104 HydrophobicContact CB-CG 4.09Å; K101-L104 HydrophobicContact CG-CD1 4.19Å; K101-L104 PolarHBondContact O-N 2.9Å; K101-Q105 PolarHBondContact O-N 3.5Å
102	K	92.6	Very high	93.9	Very high	139 Å²	139	70.5 Å²	70.5	60%	0.604	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-50.6	-42.8	-178	-64.6	-174.7	-179.7	-178.1	0	113.9	R100 L104 Q105 G128	R100-K102 PolarHBondContact O-N 2.92Å; K102-L104 PolarHBondContact O-N 2.8Å; K102-L104 VanDerWaalsContact O-N 3.13Å; K102-Q105 WeakPolarHBondContact O-CB 3.24Å; K102-Q105 PolarHBondContact O-N 3.38Å; K102-Q105 VanDerWaalsContact O-N 3.11Å; K102-G128 WeakPolarHBondContact O-CA 3.25Å
103	K	92.8	Very high	94.4	Very high	187 Å²	187	69.4 Å²	69.4	81%	0.813	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-63.4	-17.5	178.8	-66.4	-172.4	177.8	-175.1	0	114.6	K101	K101-K103 VanDerWaalsContact C-N 3.3Å; K101-K103 PolarHBondContact O-N 2.88Å
104	L	93.7	Very high	94.6	Very high	18 Å²	18	67.5 Å²	67.5	9%	0.094	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-105	0.4	180	-56.5	174.5	0	0	0	112.5	V46 F48 K101 K102 M127 R236	V46-L104 HydrophobicContact CG2-CB 4.46Å; F48-L104 HydrophobicContact CE2-CD1 3.75Å; F48-L104 HydrophobicContact CZ-CD1 4.1Å; K101-L104 HydrophobicContact CB-CB 4.23Å; K101-L104 HydrophobicContact CB-CD1 3.75Å; K101-L104 HydrophobicContact CB-CG 4.09Å; K101-L104 HydrophobicContact CG-CD1 4.19Å; K101-L104 PolarHBondContact O-N 2.9Å; K102-L104 PolarHBondContact O-N 2.8Å; K102-L104 VanDerWaalsContact O-N 3.13Å; L104-M127 HydrophobicContact CD2-CE 4.28Å; L104-R236 PolarHBondContact O-NE 2.81Å; L104-R236 PolarHBondContact O-NH2 2.9Å
105	Q	94.7	Very high	94.9	Very high	50 Å²	50	66.8 Å²	66.8	23%	0.234	31%	0.311	C	S	.	.			trans	-61.8	142.5	171.2	-68.2	-176.5	-63	0	0	108.8	S44 K101 K102 M127 G128	S44-Q105 CarbonylContact O-C 3.57Å; S44-Q105 VanDerWaalsContact O-CA 3.31Å; S44-Q105 WeakPolarHBondContact O-CA 3.4Å; K101-Q105 PolarHBondContact O-N 3.5Å; K102-Q105 WeakPolarHBondContact O-CB 3.24Å; K102-Q105 PolarHBondContact O-N 3.38Å; K102-Q105 VanDerWaalsContact O-N 3.11Å; Q105-M127 CarbonylContact O-C 3.57Å; Q105-M127 WeakPolarHBondContact O-CA 3.25Å; Q105-G128 PolarHBondContact O-N 2.94Å
106	V	96.2	Very high	95.2	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.03	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.6	179.6	162.8	0	0	0	0	107.5	E43 S44 I125 F126 M127 I232 R236	E43-V106 CarbonylContact C-O 3.56Å; E43-V106 WeakPolarHBondContact CA-O 3.32Å; S44-V106 PolarHBondContact N-O 3.5Å; S44-V106 PolarHBondContact O-N 3.15Å; V106-I125 HydrophobicContact CG1-CG2 3.76Å; V106-F126 VanDerWaalsContact CA-O 3.3Å; V106-F126 WeakPolarHBondContact CA-O 3.42Å; V106-M127 HydrophobicContact CG2-CG 3.7Å; V106-M127 HydrophobicContact CG2-SD 4.49Å; V106-I232 HydrophobicContact CB-CG2 3.93Å; V106-I232 HydrophobicContact CG1-CD1 4.22Å; V106-I232 HydrophobicContact CG1-CG1 4.25Å; V106-I232 HydrophobicContact CG1-CG2 3.96Å; V106-I232 HydrophobicContact CG2-CG2 3.69Å; V106-R236 HydrophobicContact CG2-CG 4.35Å
107	E	96.7	Very high	95.4	Very high	71 Å²	71	63.3 Å²	63.3	33%	0.332	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125	169.3	-168.8	-174.4	-169.1	0	0	105.7	H41 K109 F126	H41-E107 IonicContact CE1-OE1 3.87Å; H41-E107 WeakPolarHBondContact NE2-CG 3.5Å; H41-E107 IonicContact NE2-OE1 3.66Å; H41-E107 PolarHBondContact NE2-OE1 2.76Å; E107-K109 VanDerWaalsContact CD-CE 3.49Å; E107-K109 WeakPolarHBondContact OE1-CE 3.41Å; E107-K109 IonicContact OE1-NZ 3.26Å; E107-K109 PolarHBondContact OE1-NZ 2.53Å; E107-K109 IonicContact OE2-NZ 2.63Å; E107-K109 PolarHBondContact OE2-NZ 2.73Å; E107-F126 HydrophobicContact CB-CB 4.46Å; E107-F126 PolarHBondContact N-O 3.1Å; E107-F126 WeakPolarHBondContact O-CA 3.5Å; E107-F126 WeakPolarHBondContact O-CB 3.37Å; E107-F126 WeakPolarHBondContact O-CD2 3.48Å; E107-F126 PolarHBondContact O-N 2.96Å
108	A	96.6	Very high	95.6	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.1	-179.5	0	0	0	0	0	109.7	H41 I42 I123 T124 I125	H41-A108 WeakPolarHBondContact CA-O 3.47Å; H41-A108 PolarHBondContact CD2-O 2.78Å; H41-A108 VanDerWaalsContact CD2-O 3.29Å; I42-A108 HydrophobicContact CB-CB 4.23Å; I42-A108 PolarHBondContact N-O 2.79Å; I42-A108 PolarHBondContact O-N 3.05Å; A108-I123 HydrophobicContact CB-CG2 3.58Å; A108-T124 CarbonylContact C-O 3.53Å; A108-T124 VanDerWaalsContact CA-O 3.23Å; A108-T124 WeakPolarHBondContact CA-O 3.48Å; A108-I125 HydrophobicContact CB-CG1 4.25Å
109	K	97	Very high	95.7	Very high	99 Å²	99	58.2 Å²	58.2	43%	0.43	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.7	-174.2	-71	172.7	174.1	149.6	0	109.5	E107 T124 F126	E107-K109 VanDerWaalsContact CD-CE 3.49Å; E107-K109 WeakPolarHBondContact OE1-CE 3.41Å; E107-K109 IonicContact OE1-NZ 3.26Å; E107-K109 PolarHBondContact OE1-NZ 2.53Å; E107-K109 IonicContact OE2-NZ 2.63Å; E107-K109 PolarHBondContact OE2-NZ 2.73Å; K109-T124 PolarHBondContact N-O 3.34Å; K109-T124 PolarHBondContact O-N 2.93Å; K109-F126 HydrophobicContact CB-CE2 4.43Å; K109-F126 HydrophobicContact CD-CE2 4.47Å
110	G	96.4	Very high	95.8	Very high	10 Å²	10	53.5 Å²	53.5	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	171.2	-177.1	0	0	0	0	0	115.6	R39 I40 F122	R39-G110 WeakPolarHBondContact CA-O 3.38Å; I40-G110 PolarHBondContact N-O 2.88Å; I40-G110 PolarHBondContact O-N 2.85Å; G110-F122 CarbonylContact C-O 3.52Å; G110-F122 WeakPolarHBondContact CA-O 3.5Å
111	I	97.3	Very high	95.9	Very high	40 Å²	40	48.8 Å²	48.8	21%	0.205	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.2	176.3	-59.4	174.8	0	0	0	108.1	M26 K36 Y113 N121 F122	M26-I111 HydrophobicContact CE-CB 4.18Å; M26-I111 HydrophobicContact CE-CD1 4.01Å; M26-I111 HydrophobicContact CE-CG1 4.38Å; M26-I111 HydrophobicContact SD-CD1 4.32Å; K36-I111 HydrophobicContact CD-CG2 3.88Å; K36-I111 HydrophobicContact CG-CG2 3.78Å; I111-Y113 HydrophobicContact CB-CE2 4.19Å; I111-Y113 HydrophobicContact CG2-CD2 4.04Å; I111-Y113 HydrophobicContact CG2-CE2 3.48Å; I111-Y113 VanDerWaalsContact CG2-CE2 3.48Å; I111-N121 WeakPolarHBondContact O-CA 3.4Å; I111-F122 PolarHBondContact N-O 3.3Å; I111-F122 PolarHBondContact O-N 3.22Å
112	K	97.5	Very high	96	Very high	28 Å²	28	45.2 Å²	45.2	12%	0.122	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.7	179.4	-48.5	179.4	65	177	0	110.1	K36 C37 G38 I40 E66 N121	K36-K112 CarbonylContact C-O 3.48Å; K36-K112 WeakPolarHBondContact CA-O 3.28Å; C37-K112 PolarHBondContact N-O 3.29Å; C37-K112 VanDerWaalsContact SG-C 3.53Å; C37-K112 WeakPolarHBondContact SG-CB 3.3Å; G38-K112 PolarHBondContact O-N 2.86Å; I40-K112 HydrophobicContact CB-CD 4.37Å; I40-K112 HydrophobicContact CB-CG 4.18Å; I40-K112 HydrophobicContact CG2-CG 4.33Å; E66-K112 IonicContact OE1-NZ 3.41Å; E66-K112 PolarHBondContact OE1-NZ 3.41Å; E66-K112 IonicContact OE2-NZ 2.64Å; E66-K112 PolarHBondContact OE2-NZ 2.85Å; K112-N121 WeakPolarHBondContact CA-OD1 3.43Å; K112-N121 VanDerWaalsContact CB-OD1 3.28Å; K112-N121 WeakPolarHBondContact CB-OD1 3.33Å; K112-N121 VanDerWaalsContact CG-OD1 3.23Å; K112-N121 WeakPolarHBondContact CG-OD1 3.42Å
113	Y	97.8	Very high	96.2	Very high	6 Å²	6	38.6 Å²	38.6	2%	0.024	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.3	173.8	-74.6	-94.7	0	0	0	110.3	M26 L29 E30 A34 Q35 K36 I111 T119 I120 F122	M26-Y113 HydrophobicContact CB-CE2 4.35Å; M26-Y113 HydrophobicContact CG-CE2 3.93Å; M26-Y113 HydrophobicContact SD-CE2 4.48Å; L29-Y113 VanDerWaalsContact CD2-CB 3.47Å; L29-Y113 HydrophobicContact CD2-CD1 4.25Å; L29-Y113 HydrophobicContact CD2-CD2 4.3Å; L29-Y113 HydrophobicContact CD2-CG 3.77Å; E30-Y113 HydrophobicContact CG-CD1 4.34Å; E30-Y113 HydrophobicContact CG-CE1 3.52Å; E30-Y113 VanDerWaalsContact OE1-CE1 3.28Å; E30-Y113 WeakPolarHBondContact OE1-CE1 3.29Å; E30-Y113 PolarHBondContact OE1-OH 3.29Å; A34-Y113 HydrophobicContact CB-CD1 4.25Å; Q35-Y113 CarbonylContact O-C 3.22Å; Q35-Y113 WeakPolarHBondContact O-CA 3.49Å; K36-Y113 HydrophobicContact CB-CD1 4.3Å; K36-Y113 HydrophobicContact CB-CE1 3.97Å; I111-Y113 HydrophobicContact CB-CE2 4.19Å; I111-Y113 HydrophobicContact CG2-CD2 4.04Å; I111-Y113 HydrophobicContact CG2-CE2 3.48Å; I111-Y113 VanDerWaalsContact CG2-CE2 3.48Å; Y113-T119 CarbonylContact O-C 3.59Å; Y113-T119 VanDerWaalsContact O-CA 3.29Å; Y113-T119 WeakPolarHBondContact O-CA 3.44Å; Y113-I120 PolarHBondContact N-O 3.47Å; Y113-I120 PolarHBondContact O-N 2.99Å; Y113-F122 AromaticContact CD2-CD2 3.72Å; Y113-F122 HydrophobicContact CD2-CD2 3.72Å; Y113-F122 AromaticContact CD2-CE2 3.84Å; Y113-F122 HydrophobicContact CD2-CE2 3.84Å; Y113-F122 AromaticContact CE2-CD2 3.93Å; Y113-F122 HydrophobicContact CE2-CD2 3.93Å; Y113-F122 HydrophobicContact CE2-CE2 4.18Å
114	Q	97	Very high	96.3	Very high	67 Å²	67	31 Å²	31	31%	0.313	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.5	172.5	-172	76.5	39.3	0	0	109.4	A34 Q35 C37 G116 F118 T119	A34-Q114 CarbonylContact C-O 3.6Å; A34-Q114 WeakPolarHBondContact CA-O 3.39Å; Q35-Q114 PolarHBondContact N-O 3.36Å; Q35-Q114 PolarHBondContact O-N 3.3Å; C37-Q114 HydrophobicContact CB-CB 4.4Å; Q114-G116 PolarHBondContact NE2-O 2.75Å; Q114-F118 WeakPolarHBondContact CA-O 3.49Å; Q114-F118 PolarHBondContact NE2-O 2.97Å; Q114-F118 VanDerWaalsContact NE2-O 3.16Å; Q114-T119 PolarHBondContact OE1-OG1 2.99Å
115	L	96.5	Very high	96.3	Very high	35 Å²	35	30.1 Å²	30.1	18%	0.183	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	101.7	172.6	-178.6	61.3	0	0	0	109.3	L29 L32 A34 D117 F118 I120 F158 V162	L29-L115 HydrophobicContact CD1-CD2 4.02Å; L32-L115 HydrophobicContact CB-CD2 4.33Å; L32-L115 WeakPolarHBondContact O-CD1 3.43Å; A34-L115 HydrophobicContact CB-CB 3.89Å; A34-L115 HydrophobicContact CB-CD1 4.2Å; A34-L115 HydrophobicContact CB-CG 4.48Å; L115-D117 PolarHBondContact O-N 2.76Å; L115-F118 PolarHBondContact N-O 3.11Å; L115-F118 WeakPolarHBondContact O-CB 2.93Å; L115-F118 PolarHBondContact O-N 2.78Å; L115-I120 HydrophobicContact CB-CD1 4.15Å; L115-F158 HydrophobicContact CD2-CE2 4.2Å; L115-F158 HydrophobicContact CD2-CZ 4.14Å; L115-V162 HydrophobicContact CD2-CG1 4.44Å
116	G	95.3	Very high	96.3	Very high	62 Å²	62	29.7 Å²	29.7	64%	0.639	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	-128.5	-173.6	0	0	0	0	0	111.4	Q114 F118	Q114-G116 PolarHBondContact NE2-O 2.75Å; G116-F118 PolarHBondContact O-N 2.75Å
117	D	95.5	Very high	96.1	Very high	95 Å²	95	30.1 Å²	30.1	51%	0.508	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	9.5	177.7	-60.7	-37.7	0	0	0	114.1	L115 F142 H143 A144	L115-D117 PolarHBondContact O-N 2.76Å; D117-F142 HydrophobicContact CB-CD2 4.23Å; D117-F142 HydrophobicContact CB-CE2 3.97Å; D117-H143 WeakPolarHBondContact O-CB 3.02Å; D117-H143 PolarHBondContact O-CD2 3.3Å; D117-H143 VanDerWaalsContact O-CD2 3.29Å; D117-H143 PolarHBondContact O-N 3.5Å; D117-A144 HydrophobicContact CB-CB 4.45Å
118	F	97	Very high	95.8	Very high	30 Å²	30	28 Å²	28	13%	0.132	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.5	-177.6	-61.8	-94.8	0	0	0	112.5	Q114 L115 G116 I120 V140 C141 F142 V154 F158	Q114-F118 WeakPolarHBondContact CA-O 3.49Å; Q114-F118 PolarHBondContact NE2-O 2.97Å; Q114-F118 VanDerWaalsContact NE2-O 3.16Å; L115-F118 PolarHBondContact N-O 3.11Å; L115-F118 WeakPolarHBondContact O-CB 2.93Å; L115-F118 PolarHBondContact O-N 2.78Å; G116-F118 PolarHBondContact O-N 2.75Å; F118-I120 HydrophobicContact CB-CD1 4.14Å; F118-V140 HydrophobicContact CD1-CG1 4.19Å; F118-C141 CarbonylContact C-O 3.57Å; F118-C141 WeakPolarHBondContact CA-O 3.43Å; F118-F142 HydrophobicContact CD1-CB 4.09Å; F118-F142 HydrophobicContact CD1-CD2 4.02Å; F118-F142 HydrophobicContact CD2-CD2 4.42Å; F118-F142 HydrophobicContact CE1-CB 3.83Å; F118-F142 AromaticContact CE1-CD2 3.49Å; F118-F142 HydrophobicContact CE1-CD2 3.49Å; F118-F142 VanDerWaalsContact CE1-CD2 3.49Å; F118-F142 HydrophobicContact CE1-CE2 4.34Å; F118-F142 AromaticContact CE1-CG 3.96Å; F118-F142 HydrophobicContact CE1-CG 3.96Å; F118-F142 AromaticContact CE2-CD2 3.93Å; F118-F142 HydrophobicContact CE2-CD2 3.93Å; F118-F142 HydrophobicContact CE2-CE2 4.14Å; F118-F142 HydrophobicContact CG-CD2 4.46Å; F118-F142 AromaticContact CZ-CD2 3.44Å; F118-F142 HydrophobicContact CZ-CD2 3.44Å; F118-F142 VanDerWaalsContact CZ-CD2 3.44Å; F118-F142 AromaticContact CZ-CE2 3.84Å; F118-F142 HydrophobicContact CZ-CE2 3.84Å; F118-F142 HydrophobicContact CZ-CG 4.27Å; F118-V154 HydrophobicContact CE1-CG1 4.21Å; F118-V154 HydrophobicContact CZ-CG1 3.86Å; F118-F158 HydrophobicContact CB-CD2 4.48Å; F118-F158 HydrophobicContact CB-CE1 4.5Å; F118-F158 HydrophobicContact CB-CE2 3.89Å; F118-F158 HydrophobicContact CB-CZ 3.91Å; F118-F158 HydrophobicContact CD1-CB 4.42Å; F118-F158 HydrophobicContact CD1-CD1 4.23Å; F118-F158 AromaticContact CD1-CD2 3.76Å; F118-F158 HydrophobicContact CD1-CD2 3.76Å; F118-F158 HydrophobicContact CD1-CE1 4.48Å; F118-F158 HydrophobicContact CD1-CE2 4.04Å; F118-F158 AromaticContact CD1-CG 3.87Å; F118-F158 HydrophobicContact CD1-CG 3.87Å; F118-F158 HydrophobicContact CD1-CZ 4.4Å; F118-F158 AromaticContact CD2-CD2 3.66Å; F118-F158 HydrophobicContact CD2-CD2 3.66Å; F118-F158 AromaticContact CD2-CE2 3.59Å; F118-F158 HydrophobicContact CD2-CE2 3.59Å; F118-F158 HydrophobicContact CD2-CZ 4.45Å; F118-F158 HydrophobicContact CE1-CB 3.89Å; F118-F158 AromaticContact CE1-CD2 3.78Å; F118-F158 HydrophobicContact CE1-CD2 3.78Å; F118-F158 HydrophobicContact CE1-CE2 4.47Å; F118-F158 AromaticContact CE1-CG 3.8Å; F118-F158 HydrophobicContact CE1-CG 3.8Å; F118-F158 AromaticContact CE2-CD2 3.69Å; F118-F158 HydrophobicContact CE2-CD2 3.69Å; F118-F158 HydrophobicContact CE2-CE2 4.09Å; F118-F158 AromaticContact CG-CD2 3.7Å; F118-F158 HydrophobicContact CG-CD2 3.7Å; F118-F158 AromaticContact CG-CE2 3.56Å; F118-F158 HydrophobicContact CG-CE2 3.56Å; F118-F158 HydrophobicContact CG-CG 4.25Å; F118-F158 HydrophobicContact CG-CZ 4.01Å; F118-F158 HydrophobicContact CZ-CB 4.16Å; F118-F158 AromaticContact CZ-CD2 3.74Å; F118-F158 HydrophobicContact CZ-CD2 3.74Å; F118-F158 HydrophobicContact CZ-CE2 4.5Å; F118-F158 HydrophobicContact CZ-CG 4.15Å
119	T	96.6	Very high	95.3	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.3	161.3	-67.5	0	0	0	0	109.6	M1 Y113 Q114 N121 V140 C141 H143	M1-T119 HydrophobicContact CE-CG2 3.81Å; Y113-T119 CarbonylContact O-C 3.59Å; Y113-T119 VanDerWaalsContact O-CA 3.29Å; Y113-T119 WeakPolarHBondContact O-CA 3.44Å; Q114-T119 PolarHBondContact OE1-OG1 2.99Å; T119-N121 VanDerWaalsContact CG2-OD1 3.25Å; T119-N121 WeakPolarHBondContact CG2-OD1 3.49Å; T119-V140 WeakPolarHBondContact O-CA 3.42Å; T119-C141 PolarHBondContact N-O 3.38Å; T119-C141 PolarHBondContact O-N 3.45Å; T119-H143 WeakPolarHBondContact CB-NE2 3.12Å; T119-H143 PolarHBondContact OG1-NE2 2.79Å
120	I	96.9	Very high	94.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120	174.1	-52.6	74.6	0	0	0	108.4	L29 Y113 L115 F118 F122 I138 E139 F158	L29-I120 HydrophobicContact CD1-CD1 4.25Å; L29-I120 HydrophobicContact CD1-CG1 4.3Å; L29-I120 HydrophobicContact CD2-CB 3.8Å; L29-I120 HydrophobicContact CD2-CD1 4.05Å; L29-I120 HydrophobicContact CD2-CG1 3.96Å; L29-I120 HydrophobicContact CD2-CG2 4.16Å; Y113-I120 PolarHBondContact N-O 3.47Å; Y113-I120 PolarHBondContact O-N 2.99Å; L115-I120 HydrophobicContact CB-CD1 4.15Å; F118-I120 HydrophobicContact CB-CD1 4.14Å; I120-F122 HydrophobicContact CG2-CD2 4.3Å; I120-F122 HydrophobicContact CG2-CE1 4.19Å; I120-F122 HydrophobicContact CG2-CE2 3.81Å; I120-F122 HydrophobicContact CG2-CZ 3.75Å; I120-I138 HydrophobicContact CG2-CG2 4.14Å; I120-E139 CarbonylContact C-O 3.53Å; I120-E139 VanDerWaalsContact CA-O 3.25Å; I120-E139 WeakPolarHBondContact CA-O 3.15Å; I120-F158 HydrophobicContact CD1-CE1 4.15Å; I120-F158 HydrophobicContact CD1-CZ 3.84Å; I120-F158 HydrophobicContact CG1-CE1 3.93Å; I120-F158 HydrophobicContact CG1-CZ 4.14Å
121	N	96.7	Very high	94.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.6	174.5	-51.9	-37.8	0	0	0	110	I40 I111 K112 T119 I123 I138 E139	I40-N121 HydrophobicContact CG2-CB 4.25Å; I111-N121 WeakPolarHBondContact O-CA 3.4Å; K112-N121 WeakPolarHBondContact CA-OD1 3.43Å; K112-N121 VanDerWaalsContact CB-OD1 3.28Å; K112-N121 WeakPolarHBondContact CB-OD1 3.33Å; K112-N121 VanDerWaalsContact CG-OD1 3.23Å; K112-N121 WeakPolarHBondContact CG-OD1 3.42Å; T119-N121 VanDerWaalsContact CG2-OD1 3.25Å; T119-N121 WeakPolarHBondContact CG2-OD1 3.49Å; N121-I123 HydrophobicContact CB-CD1 4.1Å; N121-I123 HydrophobicContact CB-CG1 4.29Å; N121-I138 WeakPolarHBondContact O-CA 3.46Å; N121-E139 HydrophobicContact CB-CB 3.92Å; N121-E139 PolarHBondContact N-O 2.97Å; N121-E139 PolarHBondContact ND2-OE2 3.13Å; N121-E139 PolarHBondContact O-N 3.43Å
122	F	95.8	Very high	93.8	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118	174.5	-66.7	-74.5	0	0	0	109.3	L22 L25 M26 L29 G110 I111 Y113 I120 I138 L163	L22-F122 HydrophobicContact CD1-CB 3.79Å; L22-F122 HydrophobicContact CD1-CD1 3.48Å; L22-F122 VanDerWaalsContact CD1-CD1 3.48Å; L22-F122 HydrophobicContact CD1-CE1 4.42Å; L22-F122 HydrophobicContact CD1-CG 4Å; L22-F122 HydrophobicContact CD2-CB 4.19Å; L22-F122 HydrophobicContact CG-CB 4.11Å; L22-F122 HydrophobicContact CG-CD1 4.31Å; L22-F122 HydrophobicContact CG-CG 4.47Å; L25-F122 HydrophobicContact CB-CE1 3.75Å; L25-F122 HydrophobicContact CB-CZ 4.08Å; L25-F122 HydrophobicContact CD1-CE1 4.34Å; M26-F122 HydrophobicContact CE-CB 3.31Å; M26-F122 HydrophobicContact CE-CD2 4.03Å; M26-F122 HydrophobicContact CE-CG 3.86Å; M26-F122 HydrophobicContact CG-CB 4.49Å; M26-F122 HydrophobicContact CG-CD2 3.58Å; M26-F122 HydrophobicContact CG-CE2 3.81Å; M26-F122 HydrophobicContact CG-CG 4Å; M26-F122 HydrophobicContact CG-CZ 4.42Å; L29-F122 HydrophobicContact CD2-CE2 3.62Å; L29-F122 HydrophobicContact CD2-CZ 4.02Å; G110-F122 CarbonylContact C-O 3.52Å; G110-F122 WeakPolarHBondContact CA-O 3.5Å; I111-F122 PolarHBondContact N-O 3.3Å; I111-F122 PolarHBondContact O-N 3.22Å; Y113-F122 AromaticContact CD2-CD2 3.72Å; Y113-F122 HydrophobicContact CD2-CD2 3.72Å; Y113-F122 AromaticContact CD2-CE2 3.84Å; Y113-F122 HydrophobicContact CD2-CE2 3.84Å; Y113-F122 AromaticContact CE2-CD2 3.93Å; Y113-F122 HydrophobicContact CE2-CD2 3.93Å; Y113-F122 HydrophobicContact CE2-CE2 4.18Å; I120-F122 HydrophobicContact CG2-CD2 4.3Å; I120-F122 HydrophobicContact CG2-CE1 4.19Å; I120-F122 HydrophobicContact CG2-CE2 3.81Å; I120-F122 HydrophobicContact CG2-CZ 3.75Å; F122-I138 HydrophobicContact CD1-CD1 4.01Å; F122-I138 HydrophobicContact CD1-CG1 3.94Å; F122-I138 HydrophobicContact CD1-CG2 4.34Å; F122-I138 HydrophobicContact CE1-CD1 4.08Å; F122-I138 HydrophobicContact CE1-CG1 4.38Å; F122-I138 HydrophobicContact CE1-CG2 4.27Å; F122-L163 HydrophobicContact CE1-CD2 4.47Å; F122-L163 HydrophobicContact CZ-CD2 4.3Å
123	I	95.9	Very high	93.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.3	-166.6	-61.2	161.2	0	0	0	110.2	I40 I42 A108 N121 Y136 L137 Y228	I40-I123 HydrophobicContact CD1-CD1 4.46Å; I40-I123 HydrophobicContact CG2-CD1 4.08Å; I40-I123 HydrophobicContact CG2-CG1 3.76Å; I42-I123 HydrophobicContact CD1-CD1 4.23Å; A108-I123 HydrophobicContact CB-CG2 3.58Å; N121-I123 HydrophobicContact CB-CD1 4.1Å; N121-I123 HydrophobicContact CB-CG1 4.29Å; I123-Y136 CarbonylContact O-C 3.31Å; I123-Y136 WeakPolarHBondContact O-CA 3.38Å; I123-L137 HydrophobicContact CB-CB 4.14Å; I123-L137 PolarHBondContact N-O 3.3Å; I123-L137 PolarHBondContact O-N 3.49Å; I123-Y228 HydrophobicContact CD1-CE1 3.58Å; I123-Y228 WeakPolarHBondContact CD1-OH 3.2Å
124	T	94.7	Very high	93	Very high	26 Å²	26	43.2 Å²	43.2	16%	0.16	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129	175.4	-56	0	0	0	0	110	A108 K109 F126 V133 Y136	A108-T124 CarbonylContact C-O 3.53Å; A108-T124 VanDerWaalsContact CA-O 3.23Å; A108-T124 WeakPolarHBondContact CA-O 3.48Å; K109-T124 PolarHBondContact N-O 3.34Å; K109-T124 PolarHBondContact O-N 2.93Å; T124-F126 HydrophobicContact CG2-CE1 4.16Å; T124-F126 HydrophobicContact CG2-CE2 3.76Å; T124-F126 HydrophobicContact CG2-CZ 3.52Å; T124-V133 HydrophobicContact CG2-CB 4.2Å; T124-V133 HydrophobicContact CG2-CG1 3.6Å; T124-V133 HydrophobicContact CG2-CG2 3.61Å; T124-Y136 HydrophobicContact CG2-CD1 4.16Å; T124-Y136 HydrophobicContact CG2-CE1 3.87Å
125	I	94.7	Very high	92.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.6	-179.9	-61.9	173.3	0	0	0	110.7	V106 A108 K134 G135 L137 V235	V106-I125 HydrophobicContact CG1-CG2 3.76Å; A108-I125 HydrophobicContact CB-CG1 4.25Å; I125-K134 HydrophobicContact CG2-CB 4.32Å; I125-K134 PolarHBondContact O-N 3.4Å; I125-G135 WeakPolarHBondContact CB-O 3.45Å; I125-G135 PolarHBondContact N-O 2.97Å; I125-L137 HydrophobicContact CD1-CD1 3.89Å; I125-L137 HydrophobicContact CD1-CD2 3.83Å; I125-L137 HydrophobicContact CD1-CG 3.58Å; I125-L137 HydrophobicContact CG1-CD1 4.31Å; I125-L137 HydrophobicContact CG1-CG 4.1Å; I125-V235 HydrophobicContact CD1-CG2 3.83Å; I125-V235 HydrophobicContact CG2-CG1 4.1Å
126	F	93.8	Very high	92.5	Very high	42 Å²	42	38.8 Å²	38.8	18%	0.184	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	150	170.1	-53.8	-85.8	0	0	0	110.1	V106 E107 K109 T124 V133	V106-F126 VanDerWaalsContact CA-O 3.3Å; V106-F126 WeakPolarHBondContact CA-O 3.42Å; E107-F126 HydrophobicContact CB-CB 4.46Å; E107-F126 PolarHBondContact N-O 3.1Å; E107-F126 WeakPolarHBondContact O-CA 3.5Å; E107-F126 WeakPolarHBondContact O-CB 3.37Å; E107-F126 WeakPolarHBondContact O-CD2 3.48Å; E107-F126 PolarHBondContact O-N 2.96Å; K109-F126 HydrophobicContact CB-CE2 4.43Å; K109-F126 HydrophobicContact CD-CE2 4.47Å; T124-F126 HydrophobicContact CG2-CE1 4.16Å; T124-F126 HydrophobicContact CG2-CE2 3.76Å; T124-F126 HydrophobicContact CG2-CZ 3.52Å; F126-V133 HydrophobicContact CD1-CG2 4.44Å; F126-V133 HydrophobicContact CE1-CG2 3.74Å; F126-V133 HydrophobicContact CZ-CG2 4.28Å
127	M	92.7	Very high	92.4	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.069	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.9	179.4	-77.6	-170.5	66.3	0	0	113.7	L104 Q105 V106 Q129 S130 K134 V235 R236 S239	L104-M127 HydrophobicContact CD2-CE 4.28Å; Q105-M127 CarbonylContact O-C 3.57Å; Q105-M127 WeakPolarHBondContact O-CA 3.25Å; V106-M127 HydrophobicContact CG2-CG 3.7Å; V106-M127 HydrophobicContact CG2-SD 4.49Å; M127-Q129 PolarHBondContact O-N 3.34Å; M127-S130 WeakPolarHBondContact O-CB 3.31Å; M127-S130 PolarHBondContact O-N 3.47Å; M127-S130 VanDerWaalsContact O-N 3.15Å; M127-K134 HydrophobicContact CB-CG 3.81Å; M127-K134 HydrophobicContact CG-CB 4.29Å; M127-K134 HydrophobicContact CG-CG 3.74Å; M127-K134 HydrophobicContact SD-CB 4.49Å; M127-K134 HydrophobicContact SD-CG 4.12Å; M127-V235 HydrophobicContact SD-CG1 4.07Å; M127-R236 HydrophobicContact CE-CB 4.27Å; M127-R236 HydrophobicContact CE-CG 3.75Å; M127-R236 HydrophobicContact SD-CG 4.32Å; M127-S239 PolarHBondContact SD-OG 3.4Å
128	G	90.2	Very high	92.4	Very high	27 Å²	27	31.4 Å²	31.4	28%	0.278	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	-130.5	179.5	0	0	0	0	0	111.3	K102 Q105	K102-G128 WeakPolarHBondContact O-CA 3.25Å; Q105-G128 PolarHBondContact O-N 2.94Å
129	Q	86.8	Confident	92.4	Very high	184 Å²	184	30.2 Å²	30.2	86%	0.86	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	11.6	174.1	-64.1	177.4	-39.5	0	0	111.6	M127	M127-Q129 PolarHBondContact O-N 3.34Å
130	S	85.5	Confident	92.4	Very high	57 Å²	57	30 Å²	30	40%	0.399	18%	0.178	S	C	.	.			trans	-86.6	134.1	-178	-174	0	0	0	0	110.4	M127 S132	M127-S130 WeakPolarHBondContact O-CB 3.31Å; M127-S130 PolarHBondContact O-N 3.47Å; M127-S130 VanDerWaalsContact O-N 3.15Å; S130-S132 PolarHBondContact O-N 3.1Å; S130-S132 WeakPolarHBondContact OG-CB 3.34Å; S130-S132 PolarHBondContact OG-N 3.1Å; S130-S132 VanDerWaalsContact OG-N 3.14Å; S130-S132 PolarHBondContact OG-OG 2.75Å
131	A	85	Confident	92.3	Very high	92 Å²	92	30.1 Å²	30.1	76%	0.76	18%	0.179	S	C	*	.			trans	-76	0.6	168.2	0	0	0	0	0	113.1	V133	A131-V133 PolarHBondContact O-N 3.25Å
132	S	87.4	Confident	92.3	Very high	44 Å²	44	31.5 Å²	31.5	31%	0.308	19%	0.185	S	C	.	.			trans	-70.8	128.8	177	62.3	0	0	0	0	111.1	S130 K134	S130-S132 PolarHBondContact O-N 3.1Å; S130-S132 WeakPolarHBondContact OG-CB 3.34Å; S130-S132 PolarHBondContact OG-N 3.1Å; S130-S132 VanDerWaalsContact OG-N 3.14Å; S130-S132 PolarHBondContact OG-OG 2.75Å; S132-K134 VanDerWaalsContact OG-CE 3.29Å; S132-K134 WeakPolarHBondContact OG-CE 3.31Å; S132-K134 PolarHBondContact OG-NZ 3.19Å; S132-K134 VanDerWaalsContact OG-NZ 3.08Å
133	V	89.9	Confident	92.2	Very high	44 Å²	44	33.7 Å²	33.7	27%	0.267	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.1	171.7	178.8	0	0	0	0	108.9	S17 T124 F126 A131 Y136	S17-V133 WeakPolarHBondContact OG-CB 3.15Å; S17-V133 VanDerWaalsContact OG-CG1 3.28Å; S17-V133 WeakPolarHBondContact OG-CG1 3.29Å; T124-V133 HydrophobicContact CG2-CB 4.2Å; T124-V133 HydrophobicContact CG2-CG1 3.6Å; T124-V133 HydrophobicContact CG2-CG2 3.61Å; F126-V133 HydrophobicContact CD1-CG2 4.44Å; F126-V133 HydrophobicContact CE1-CG2 3.74Å; F126-V133 HydrophobicContact CZ-CG2 4.28Å; A131-V133 PolarHBondContact O-N 3.25Å; V133-Y136 HydrophobicContact CG1-CE1 3.89Å
134	K	90.3	Very high	92	Very high	82 Å²	82	36.9 Å²	36.9	36%	0.357	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-10.3	179.4	-63.1	-54.6	-174.2	-166.3	0	114	I125 M127 S132 V235	I125-K134 HydrophobicContact CG2-CB 4.32Å; I125-K134 PolarHBondContact O-N 3.4Å; M127-K134 HydrophobicContact CB-CG 3.81Å; M127-K134 HydrophobicContact CG-CB 4.29Å; M127-K134 HydrophobicContact CG-CG 3.74Å; M127-K134 HydrophobicContact SD-CB 4.49Å; M127-K134 HydrophobicContact SD-CG 4.12Å; S132-K134 VanDerWaalsContact OG-CE 3.29Å; S132-K134 WeakPolarHBondContact OG-CE 3.31Å; S132-K134 PolarHBondContact OG-NZ 3.19Å; S132-K134 VanDerWaalsContact OG-NZ 3.08Å; K134-V235 HydrophobicContact CB-CG1 3.59Å
135	G	90	Very high	91.8	Very high	3 Å²	3	37 Å²	37	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160	178.3	178	0	0	0	0	0	111.6	I125	I125-G135 WeakPolarHBondContact CB-O 3.45Å; I125-G135 PolarHBondContact N-O 2.97Å
136	Y	92	Very high	91.3	Very high	6 Å²	6	38.2 Å²	38.2	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.9	177.3	-50.3	-80.4	0	0	0	110.7	L10 S17 P19 L22 I123 T124 V133	L10-Y136 HydrophobicContact CD2-CD2 4.07Å; L10-Y136 PolarHBondContact N-O 3.14Å; S17-Y136 PolarHBondContact O-OH 3.22Å; P19-Y136 VanDerWaalsContact CA-OH 3.29Å; P19-Y136 WeakPolarHBondContact CA-OH 3.35Å; L22-Y136 HydrophobicContact CB-CD1 4.48Å; L22-Y136 HydrophobicContact CB-CE1 4.47Å; L22-Y136 HydrophobicContact CD1-CD1 4.42Å; L22-Y136 HydrophobicContact CD2-CD1 3.87Å; L22-Y136 HydrophobicContact CD2-CE1 4.16Å; L22-Y136 HydrophobicContact CG-CD1 4.5Å; I123-Y136 CarbonylContact O-C 3.31Å; I123-Y136 WeakPolarHBondContact O-CA 3.38Å; T124-Y136 HydrophobicContact CG2-CD1 4.16Å; T124-Y136 HydrophobicContact CG2-CE1 3.87Å; V133-Y136 HydrophobicContact CG1-CE1 3.89Å
137	L	93.9	Very high	91	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	145	167.1	-53.1	176.3	0	0	0	109.6	V7 L8 L9 I123 I125 Y228 H231	V7-L137 HydrophobicContact CG1-CB 4.12Å; V7-L137 HydrophobicContact CG1-CD1 4.35Å; V7-L137 HydrophobicContact CG1-CD2 4.46Å; L8-L137 CarbonylContact O-C 3.58Å; L8-L137 VanDerWaalsContact O-CA 3.24Å; L8-L137 WeakPolarHBondContact O-CA 3.31Å; L9-L137 HydrophobicContact CB-CD2 4.16Å; L9-L137 HydrophobicContact CD1-CD2 3.63Å; I123-L137 HydrophobicContact CB-CB 4.14Å; I123-L137 PolarHBondContact N-O 3.3Å; I123-L137 PolarHBondContact O-N 3.49Å; I125-L137 HydrophobicContact CD1-CD1 3.89Å; I125-L137 HydrophobicContact CD1-CD2 3.83Å; I125-L137 HydrophobicContact CD1-CG 3.58Å; I125-L137 HydrophobicContact CG1-CD1 4.31Å; I125-L137 HydrophobicContact CG1-CG 4.1Å; L137-Y228 HydrophobicContact CD1-CD1 3.54Å; L137-Y228 HydrophobicContact CD1-CE1 3.81Å; L137-H231 HydrophobicContact CD2-CB 3.61Å
138	I	95.3	Very high	90.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	111.9	174.2	-59.8	178.2	0	0	0	107	L8 L22 L25 I120 N121 F122 V140 L163 I166	L8-I138 HydrophobicContact CB-CB 4.4Å; L8-I138 PolarHBondContact N-O 3.1Å; L8-I138 PolarHBondContact O-N 3.42Å; L22-I138 HydrophobicContact CD1-CD1 4.46Å; L25-I138 HydrophobicContact CD1-CD1 3.79Å; I120-I138 HydrophobicContact CG2-CG2 4.14Å; N121-I138 WeakPolarHBondContact O-CA 3.46Å; F122-I138 HydrophobicContact CD1-CD1 4.01Å; F122-I138 HydrophobicContact CD1-CG1 3.94Å; F122-I138 HydrophobicContact CD1-CG2 4.34Å; F122-I138 HydrophobicContact CE1-CD1 4.08Å; F122-I138 HydrophobicContact CE1-CG1 4.38Å; F122-I138 HydrophobicContact CE1-CG2 4.27Å; I138-V140 HydrophobicContact CG2-CG2 4.37Å; I138-L163 HydrophobicContact CG2-CD1 4.12Å; I138-I166 HydrophobicContact CB-CD1 4.44Å; I138-I166 HydrophobicContact CD1-CD1 3.3Å; I138-I166 HydrophobicContact CD1-CG1 4.06Å; I138-I166 HydrophobicContact CG1-CD1 4.4Å; I138-I166 HydrophobicContact CG2-CD1 4.21Å
139	E	95.9	Very high	90.6	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.028	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.4	173.1	-173.1	-176.2	177.2	0	0	109.2	S5 C6 V7 I120 N121 T224 Y228	S5-E139 WeakPolarHBondContact CB-OE1 3.27Å; S5-E139 VanDerWaalsContact OG-CD 3.24Å; S5-E139 WeakPolarHBondContact OG-CG 3.44Å; S5-E139 PolarHBondContact OG-OE1 2.94Å; C6-E139 WeakPolarHBondContact O-CA 3.32Å; V7-E139 HydrophobicContact CG2-CB 4.47Å; V7-E139 HydrophobicContact CG2-CG 4.18Å; I120-E139 CarbonylContact C-O 3.53Å; I120-E139 VanDerWaalsContact CA-O 3.25Å; I120-E139 WeakPolarHBondContact CA-O 3.15Å; N121-E139 HydrophobicContact CB-CB 3.92Å; N121-E139 PolarHBondContact N-O 2.97Å; N121-E139 PolarHBondContact ND2-OE2 3.13Å; N121-E139 PolarHBondContact O-N 3.43Å; E139-T224 VanDerWaalsContact OE1-CG2 3.28Å; E139-T224 WeakPolarHBondContact OE1-CG2 3.06Å; E139-Y228 WeakPolarHBondContact CB-OH 3.34Å; E139-Y228 PolarHBondContact OE2-OH 2.83Å
140	V	96.6	Very high	90.7	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	115.9	169.3	-177.5	0	0	0	0	108.3	S5 C6 F118 T119 I138 L155 F158 I159 L163	S5-V140 CarbonylContact C-O 3.59Å; S5-V140 WeakPolarHBondContact CA-O 3.28Å; S5-V140 PolarHBondContact OG-O 2.95Å; C6-V140 PolarHBondContact N-O 2.96Å; C6-V140 PolarHBondContact O-N 2.85Å; F118-V140 HydrophobicContact CD1-CG1 4.19Å; T119-V140 WeakPolarHBondContact O-CA 3.42Å; I138-V140 HydrophobicContact CG2-CG2 4.37Å; V140-L155 HydrophobicContact CB-CD2 4.44Å; V140-L155 HydrophobicContact CG1-CD2 3.9Å; V140-L155 WeakPolarHBondContact O-CD2 3.43Å; V140-F158 HydrophobicContact CG1-CD1 3.58Å; V140-F158 HydrophobicContact CG1-CE1 3.83Å; V140-F158 HydrophobicContact CG1-CG 4.47Å; V140-I159 HydrophobicContact CB-CG1 4.47Å; V140-I159 HydrophobicContact CG2-CG1 4.01Å; V140-L163 HydrophobicContact CG2-CD1 4.12Å
141	C	95.9	Very high	91.1	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.02	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129	179.8	-176.3	0	0	0	0	110.5	M1 V4 F118 T119	M1-C141 HydrophobicContact CE-CB 4.14Å; V4-C141 WeakPolarHBondContact O-CA 3.21Å; F118-C141 CarbonylContact C-O 3.57Å; F118-C141 WeakPolarHBondContact CA-O 3.43Å; T119-C141 PolarHBondContact N-O 3.38Å; T119-C141 PolarHBondContact O-N 3.45Å
142	F	96.4	Very high	91.4	Very high	29 Å²	29	35.7 Å²	35.7	13%	0.127	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.9	173.4	178.1	-124.5	0	0	0	110.1	G3 V4 D117 F118 A144 V154 L155	G3-F142 CarbonylContact C-O 3.44Å; G3-F142 WeakPolarHBondContact CA-O 3.35Å; V4-F142 PolarHBondContact N-O 3.03Å; V4-F142 PolarHBondContact O-N 3.36Å; D117-F142 HydrophobicContact CB-CD2 4.23Å; D117-F142 HydrophobicContact CB-CE2 3.97Å; F118-F142 HydrophobicContact CD1-CB 4.09Å; F118-F142 HydrophobicContact CD1-CD2 4.02Å; F118-F142 HydrophobicContact CD2-CD2 4.42Å; F118-F142 HydrophobicContact CE1-CB 3.83Å; F118-F142 AromaticContact CE1-CD2 3.49Å; F118-F142 HydrophobicContact CE1-CD2 3.49Å; F118-F142 VanDerWaalsContact CE1-CD2 3.49Å; F118-F142 HydrophobicContact CE1-CE2 4.34Å; F118-F142 AromaticContact CE1-CG 3.96Å; F118-F142 HydrophobicContact CE1-CG 3.96Å; F118-F142 AromaticContact CE2-CD2 3.93Å; F118-F142 HydrophobicContact CE2-CD2 3.93Å; F118-F142 HydrophobicContact CE2-CE2 4.14Å; F118-F142 HydrophobicContact CG-CD2 4.46Å; F118-F142 AromaticContact CZ-CD2 3.44Å; F118-F142 HydrophobicContact CZ-CD2 3.44Å; F118-F142 VanDerWaalsContact CZ-CD2 3.44Å; F118-F142 AromaticContact CZ-CE2 3.84Å; F118-F142 HydrophobicContact CZ-CE2 3.84Å; F118-F142 HydrophobicContact CZ-CG 4.27Å; F142-A144 HydrophobicContact CE1-CB 4Å; F142-A144 HydrophobicContact CE2-CB 3.76Å; F142-A144 HydrophobicContact CZ-CB 3.47Å; F142-A144 VanDerWaalsContact CZ-CB 3.47Å; F142-V154 HydrophobicContact CD1-CG1 4.26Å; F142-V154 HydrophobicContact CD2-CG1 4.34Å; F142-V154 HydrophobicContact CE1-CG1 4.19Å; F142-V154 HydrophobicContact CE2-CG1 4.27Å; F142-V154 HydrophobicContact CG-CG1 4.31Å; F142-V154 HydrophobicContact CZ-CG1 4.17Å; F142-L155 HydrophobicContact CB-CD2 3.93Å; F142-L155 HydrophobicContact CB-CG 4.49Å
143	H	93.8	Very high	91.6	Very high	46 Å²	46	39.1 Å²	39.1	21%	0.213	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-22.6	-170.4	-70.3	-71	0	0	0	114.5	T2 D117 T119 S145	T2-H143 PolarHBondContact O-ND1 3.41Å; D117-H143 WeakPolarHBondContact O-CB 3.02Å; D117-H143 PolarHBondContact O-CD2 3.3Å; D117-H143 VanDerWaalsContact O-CD2 3.29Å; D117-H143 PolarHBondContact O-N 3.5Å; T119-H143 WeakPolarHBondContact CB-NE2 3.12Å; T119-H143 PolarHBondContact OG1-NE2 2.79Å; H143-S145 PolarHBondContact O-N 3.19Å
144	A	91.9	Very high	91.8	Very high	68 Å²	68	39.7 Å²	39.7	56%	0.562	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-6.2	-171.9	0	0	0	0	0	114.3	D117 F142	D117-A144 HydrophobicContact CB-CB 4.45Å; F142-A144 HydrophobicContact CE1-CB 4Å; F142-A144 HydrophobicContact CE2-CB 3.76Å; F142-A144 HydrophobicContact CZ-CB 3.47Å; F142-A144 VanDerWaalsContact CZ-CB 3.47Å
145	S	89.5	Confident	92	Very high	28 Å²	28	35.8 Å²	35.8	20%	0.196	19%	0.194	C	C	.	.			trans	-149.1	144.1	176.9	-179.2	0	0	0	0	111.9	G3 V4 H143 M147	G3-S145 WeakPolarHBondContact CA-O 3.38Å; V4-S145 PolarHBondContact N-O 3.2Å; H143-S145 PolarHBondContact O-N 3.19Å; S145-M147 WeakPolarHBondContact OG-CB 3.4Å; S145-M147 PolarHBondContact OG-N 3.11Å
146	S	85.8	Confident	92.1	Very high	26 Å²	26	38.5 Å²	38.5	18%	0.182	21%	0.205	C	C	.	.			trans	-105.7	10	168.1	-59.2	0	0	0	0	112.2	I148	S146-I148 PolarHBondContact O-N 3.43Å
147	M	86.9	Confident	92.1	Very high	99 Å²	99	40.3 Å²	40.3	49%	0.488	22%	0.221	S	C	.	.			trans	-87.5	92.5	178.3	-62.2	-175.1	-177.1	0	0	110	S145 H149 L150 C151	S145-M147 WeakPolarHBondContact OG-CB 3.4Å; S145-M147 PolarHBondContact OG-N 3.11Å; M147-H149 VanDerWaalsContact C-N 3.3Å; M147-H149 PolarHBondContact O-N 3.29Å; M147-L150 HydrophobicContact CB-CB 4.37Å; M147-L150 HydrophobicContact CB-CD1 4.07Å; M147-L150 HydrophobicContact CB-CG 4.24Å; M147-L150 PolarHBondContact O-N 2.85Å; M147-L150 HydrophobicContact SD-CD1 3.7Å; M147-C151 PolarHBondContact O-N 2.81Å; M147-C151 PolarHBondContact O-SG 2.96Å
148	I	88	Confident	92.1	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.036	23%	0.225	C	C	.	.	H	α-helix	trans	-51.9	-46.5	-173.2	-62	161.1	0	0	0	112.3	V4 S146 L150 C151 A185 V186 V219 L223	V4-I148 HydrophobicContact CG1-CB 4.45Å; V4-I148 HydrophobicContact CG1-CG1 4.19Å; V4-I148 HydrophobicContact CG1-CG2 4.35Å; V4-I148 HydrophobicContact CG2-CB 4.41Å; V4-I148 HydrophobicContact CG2-CG1 3.89Å; S146-I148 PolarHBondContact O-N 3.43Å; I148-L150 PolarHBondContact O-N 3.32Å; I148-L150 VanDerWaalsContact O-N 3.15Å; I148-C151 PolarHBondContact O-N 2.87Å; I148-C151 VanDerWaalsContact O-N 3.1Å; I148-A185 HydrophobicContact CG2-CB 3.86Å; I148-V186 HydrophobicContact CG2-CG2 3.98Å; I148-V219 HydrophobicContact CD1-CG1 3.91Å; I148-L223 HydrophobicContact CD1-CD2 3.84Å; I148-L223 HydrophobicContact CG1-CD2 4.17Å; I148-L223 HydrophobicContact CG2-CD2 4Å
149	H	86.2	Confident	91.9	Very high	95 Å²	95	41.2 Å²	41.2	44%	0.44	23%	0.225	S	C	.	.	H	α-helix	trans	-64	-19.1	-177.2	61.8	-86.2	0	0	0	114.5	M147 V186	M147-H149 VanDerWaalsContact C-N 3.3Å; M147-H149 PolarHBondContact O-N 3.29Å; H149-V186 WeakPolarHBondContact CB-O 3.25Å
150	L	89.4	Confident	91.6	Very high	104 Å²	104	43.6 Å²	43.6	55%	0.545	24%	0.241	S	C	.	.	H	α-helix	trans	-96.2	-14.5	177.4	-59.4	-179.1	0	0	0	113.2	M147 I148	M147-L150 HydrophobicContact CB-CB 4.37Å; M147-L150 HydrophobicContact CB-CD1 4.07Å; M147-L150 HydrophobicContact CB-CG 4.24Å; M147-L150 PolarHBondContact O-N 2.85Å; M147-L150 HydrophobicContact SD-CD1 3.7Å; I148-L150 PolarHBondContact O-N 3.32Å; I148-L150 VanDerWaalsContact O-N 3.15Å
151	C	92.6	Very high	91.2	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.014	28%	0.276	C	S	.	.	H	α-helix	trans	-91.6	-11.7	-170.2	-64.8	0	0	0	0	113.7	V4 M147 I148 D153 V154 L155	V4-C151 HydrophobicContact CB-CB 3.8Å; V4-C151 HydrophobicContact CG1-CB 3.87Å; V4-C151 HydrophobicContact CG2-CB 4.05Å; M147-C151 PolarHBondContact O-N 2.81Å; M147-C151 PolarHBondContact O-SG 2.96Å; I148-C151 PolarHBondContact O-N 2.87Å; I148-C151 VanDerWaalsContact O-N 3.1Å; C151-D153 PolarHBondContact O-N 2.66Å; C151-V154 PolarHBondContact O-N 3.26Å; C151-L155 HydrophobicContact CB-CD1 4.18Å; C151-L155 WeakPolarHBondContact O-CB 3.4Å; C151-L155 VanDerWaalsContact O-CG 3.31Å; C151-L155 WeakPolarHBondContact O-CG 3.35Å; C151-L155 PolarHBondContact O-N 3.05Å
152	R	92	Very high	90.9	Very high	56 Å²	56	52 Å²	52	21%	0.211	28%	0.281	C	S	.	.	H	α-helix	trans	-54.7	-52.3	-177.9	178.1	178.2	177	-163.9	2.9	111.9	L155 K156 E175 F178 F182 V186	R152-L155 PolarHBondContact O-N 3.21Å; R152-K156 VanDerWaalsContact O-CB 3.24Å; R152-K156 WeakPolarHBondContact O-CB 3.37Å; R152-K156 PolarHBondContact O-N 3.5Å; R152-E175 IonicContact NH2-OE1 3.66Å; R152-E175 PolarHBondContact NH2-OE1 2.78Å; R152-F178 HydrophobicContact CG-CE2 4.27Å; R152-F182 HydrophobicContact CB-CE1 4.41Å; R152-F182 HydrophobicContact CG-CE1 4.36Å; R152-V186 HydrophobicContact CB-CG1 3.95Å; R152-V186 HydrophobicContact CB-CG2 3.99Å; R152-V186 HydrophobicContact CG-CG1 4.47Å
153	D	91.6	Very high	90.5	Very high	116 Å²	116	50.8 Å²	50.8	62%	0.62	28%	0.276	S	S	*	.	H	α-helix	trans	-71.2	-35.7	-174.4	-65.4	-33	0	0	0	112	C151 K156 A157	C151-D153 PolarHBondContact O-N 2.66Å; D153-K156 PolarHBondContact O-N 3.5Å; D153-A157 VanDerWaalsContact O-CB 3.23Å; D153-A157 WeakPolarHBondContact O-CB 3.41Å; D153-A157 PolarHBondContact O-N 2.9Å
154	V	93.9	Very high	89.7	Confident	56 Å²	56	51.7 Å²	51.7	34%	0.339	29%	0.286	S	S	.	.	H	α-helix	trans	-63.4	-49.8	174.8	178	0	0	0	0	110.7	F118 F142 C151 K156 A157 F158	F118-V154 HydrophobicContact CE1-CG1 4.21Å; F118-V154 HydrophobicContact CZ-CG1 3.86Å; F142-V154 HydrophobicContact CD1-CG1 4.26Å; F142-V154 HydrophobicContact CD2-CG1 4.34Å; F142-V154 HydrophobicContact CE1-CG1 4.19Å; F142-V154 HydrophobicContact CE2-CG1 4.27Å; F142-V154 HydrophobicContact CG-CG1 4.31Å; F142-V154 HydrophobicContact CZ-CG1 4.17Å; C151-V154 PolarHBondContact O-N 3.26Å; V154-K156 PolarHBondContact O-N 3.04Å; V154-A157 PolarHBondContact O-N 2.95Å; V154-F158 WeakPolarHBondContact O-CB 3.38Å; V154-F158 PolarHBondContact O-N 3.2Å
155	L	94.2	Very high	89.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.1	-43.6	177.4	-72.8	167.6	0	0	0	111.2	V4 C6 V140 F142 C151 R152 F158 I159 F182	V4-L155 HydrophobicContact CG1-CD1 4.04Å; C6-L155 HydrophobicContact CB-CD1 4.29Å; V140-L155 HydrophobicContact CB-CD2 4.44Å; V140-L155 HydrophobicContact CG1-CD2 3.9Å; V140-L155 WeakPolarHBondContact O-CD2 3.43Å; F142-L155 HydrophobicContact CB-CD2 3.93Å; F142-L155 HydrophobicContact CB-CG 4.49Å; C151-L155 HydrophobicContact CB-CD1 4.18Å; C151-L155 WeakPolarHBondContact O-CB 3.4Å; C151-L155 VanDerWaalsContact O-CG 3.31Å; C151-L155 WeakPolarHBondContact O-CG 3.35Å; C151-L155 PolarHBondContact O-N 3.05Å; R152-L155 PolarHBondContact O-N 3.21Å; L155-F158 PolarHBondContact O-N 3.47Å; L155-I159 WeakPolarHBondContact O-CD1 3.47Å; L155-I159 VanDerWaalsContact O-CG1 3.25Å; L155-I159 WeakPolarHBondContact O-CG1 3.39Å; L155-I159 PolarHBondContact O-N 3.02Å; L155-F182 HydrophobicContact CD1-CE2 3.87Å; L155-F182 HydrophobicContact CD1-CZ 3.71Å
156	K	91.7	Very high	88.4	Confident	61 Å²	61	52.6 Å²	52.6	27%	0.265	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-46.4	177.1	-172.7	-178	-178.1	-179.5	0	112	R152 D153 V154 I159 T160 T174 F178	R152-K156 VanDerWaalsContact O-CB 3.24Å; R152-K156 WeakPolarHBondContact O-CB 3.37Å; R152-K156 PolarHBondContact O-N 3.5Å; D153-K156 PolarHBondContact O-N 3.5Å; V154-K156 PolarHBondContact O-N 3.04Å; K156-I159 PolarHBondContact O-N 3.21Å; K156-T160 WeakPolarHBondContact O-CB 3.3Å; K156-T160 PolarHBondContact O-N 3.16Å; K156-T160 PolarHBondContact O-OG1 3.02Å; K156-T174 WeakPolarHBondContact CE-OG1 3.35Å; K156-T174 PolarHBondContact NZ-OG1 3.05Å; K156-F178 HydrophobicContact CB-CE2 4.27Å; K156-F178 HydrophobicContact CB-CZ 3.94Å; K156-F178 HydrophobicContact CG-CE2 4.48Å; K156-F178 HydrophobicContact CG-CZ 4.46Å
157	A	91.9	Very high	87.2	Confident	43 Å²	43	51.8 Å²	51.8	36%	0.355	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-46.1	178.4	0	0	0	0	0	110.8	D153 V154 T160 Q161	D153-A157 VanDerWaalsContact O-CB 3.23Å; D153-A157 WeakPolarHBondContact O-CB 3.41Å; D153-A157 PolarHBondContact O-N 2.9Å; V154-A157 PolarHBondContact O-N 2.95Å; A157-T160 PolarHBondContact O-N 3.45Å; A157-Q161 WeakPolarHBondContact O-CB 3.39Å; A157-Q161 VanDerWaalsContact O-CG 3.3Å; A157-Q161 WeakPolarHBondContact O-CG 3.34Å; A157-Q161 PolarHBondContact O-N 3.42Å
158	F	93.8	Very high	85.5	Confident	18 Å²	18	50.5 Å²	50.5	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-58.1	-51.1	176.3	-177.3	-87.6	0	0	0	111.8	L115 F118 I120 V140 V154 L155 T160 Q161 V162	L115-F158 HydrophobicContact CD2-CE2 4.2Å; L115-F158 HydrophobicContact CD2-CZ 4.14Å; F118-F158 HydrophobicContact CB-CD2 4.48Å; F118-F158 HydrophobicContact CB-CE1 4.5Å; F118-F158 HydrophobicContact CB-CE2 3.89Å; F118-F158 HydrophobicContact CB-CZ 3.91Å; F118-F158 HydrophobicContact CD1-CB 4.42Å; F118-F158 HydrophobicContact CD1-CD1 4.23Å; F118-F158 AromaticContact CD1-CD2 3.76Å; F118-F158 HydrophobicContact CD1-CD2 3.76Å; F118-F158 HydrophobicContact CD1-CE1 4.48Å; F118-F158 HydrophobicContact CD1-CE2 4.04Å; F118-F158 AromaticContact CD1-CG 3.87Å; F118-F158 HydrophobicContact CD1-CG 3.87Å; F118-F158 HydrophobicContact CD1-CZ 4.4Å; F118-F158 AromaticContact CD2-CD2 3.66Å; F118-F158 HydrophobicContact CD2-CD2 3.66Å; F118-F158 AromaticContact CD2-CE2 3.59Å; F118-F158 HydrophobicContact CD2-CE2 3.59Å; F118-F158 HydrophobicContact CD2-CZ 4.45Å; F118-F158 HydrophobicContact CE1-CB 3.89Å; F118-F158 AromaticContact CE1-CD2 3.78Å; F118-F158 HydrophobicContact CE1-CD2 3.78Å; F118-F158 HydrophobicContact CE1-CE2 4.47Å; F118-F158 AromaticContact CE1-CG 3.8Å; F118-F158 HydrophobicContact CE1-CG 3.8Å; F118-F158 AromaticContact CE2-CD2 3.69Å; F118-F158 HydrophobicContact CE2-CD2 3.69Å; F118-F158 HydrophobicContact CE2-CE2 4.09Å; F118-F158 AromaticContact CG-CD2 3.7Å; F118-F158 HydrophobicContact CG-CD2 3.7Å; F118-F158 AromaticContact CG-CE2 3.56Å; F118-F158 HydrophobicContact CG-CE2 3.56Å; F118-F158 HydrophobicContact CG-CG 4.25Å; F118-F158 HydrophobicContact CG-CZ 4.01Å; F118-F158 HydrophobicContact CZ-CB 4.16Å; F118-F158 AromaticContact CZ-CD2 3.74Å; F118-F158 HydrophobicContact CZ-CD2 3.74Å; F118-F158 HydrophobicContact CZ-CE2 4.5Å; F118-F158 HydrophobicContact CZ-CG 4.15Å; I120-F158 HydrophobicContact CD1-CE1 4.15Å; I120-F158 HydrophobicContact CD1-CZ 3.84Å; I120-F158 HydrophobicContact CG1-CE1 3.93Å; I120-F158 HydrophobicContact CG1-CZ 4.14Å; V140-F158 HydrophobicContact CG1-CD1 3.58Å; V140-F158 HydrophobicContact CG1-CE1 3.83Å; V140-F158 HydrophobicContact CG1-CG 4.47Å; V154-F158 WeakPolarHBondContact O-CB 3.38Å; V154-F158 PolarHBondContact O-N 3.2Å; L155-F158 PolarHBondContact O-N 3.47Å; F158-T160 VanDerWaalsContact C-N 3.33Å; F158-T160 PolarHBondContact O-N 2.94Å; F158-Q161 PolarHBondContact O-N 3.23Å; F158-V162 HydrophobicContact CD1-CB 4.38Å; F158-V162 HydrophobicContact CD1-CG2 4.42Å; F158-V162 HydrophobicContact CD2-CG2 3.95Å; F158-V162 HydrophobicContact CE1-CB 4.06Å; F158-V162 HydrophobicContact CE1-CG1 4.1Å; F158-V162 HydrophobicContact CE1-CG2 4.22Å; F158-V162 HydrophobicContact CE2-CB 4.44Å; F158-V162 HydrophobicContact CE2-CG2 3.73Å; F158-V162 HydrophobicContact CG-CG2 4.29Å; F158-V162 HydrophobicContact CZ-CB 4.08Å; F158-V162 HydrophobicContact CZ-CG1 3.93Å; F158-V162 HydrophobicContact CZ-CG2 3.86Å; F158-V162 VanDerWaalsContact O-CB 3.28Å; F158-V162 WeakPolarHBondContact O-CB 3.26Å; F158-V162 WeakPolarHBondContact O-CG2 3.39Å; F158-V162 PolarHBondContact O-N 3.33Å
159	I	92.2	Very high	83.4	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-58.9	-46.2	179.7	-68.9	159.6	0	0	0	110.9	L8 V140 L155 K156 Q161 L163 F178	L8-I159 HydrophobicContact CD1-CD1 3.9Å; L8-I159 HydrophobicContact CD1-CG1 4.23Å; L8-I159 HydrophobicContact CD1-CG2 4.04Å; L8-I159 HydrophobicContact CD2-CD1 4.25Å; V140-I159 HydrophobicContact CB-CG1 4.47Å; V140-I159 HydrophobicContact CG2-CG1 4.01Å; L155-I159 WeakPolarHBondContact O-CD1 3.47Å; L155-I159 VanDerWaalsContact O-CG1 3.25Å; L155-I159 WeakPolarHBondContact O-CG1 3.39Å; L155-I159 PolarHBondContact O-N 3.02Å; K156-I159 PolarHBondContact O-N 3.21Å; I159-Q161 VanDerWaalsContact C-N 3.31Å; I159-Q161 PolarHBondContact O-N 2.58Å; I159-L163 CarbonylContact O-C 3.58Å; I159-L163 VanDerWaalsContact O-C 3.22Å; I159-L163 VanDerWaalsContact O-CA 3.29Å; I159-L163 WeakPolarHBondContact O-CA 3.45Å; I159-L163 WeakPolarHBondContact O-CB 3.46Å; I159-L163 PolarHBondContact O-N 3.33Å; I159-F178 HydrophobicContact CD1-CE1 4.02Å; I159-F178 HydrophobicContact CD1-CZ 4.49Å
160	T	88.5	Confident	81.6	Confident	57 Å²	57	54.6 Å²	54.6	35%	0.35	31%	0.314	S	S	.	.	H	α-helix	trans	-65.5	-35.7	-176.8	-52	0	0	0	0	111.8	K156 A157 F158	K156-T160 WeakPolarHBondContact O-CB 3.3Å; K156-T160 PolarHBondContact O-N 3.16Å; K156-T160 PolarHBondContact O-OG1 3.02Å; A157-T160 PolarHBondContact O-N 3.45Å; F158-T160 VanDerWaalsContact C-N 3.33Å; F158-T160 PolarHBondContact O-N 2.94Å
161	Q	88.7	Confident	79.5	Confident	158 Å²	158	57 Å²	57	74%	0.738	33%	0.328	S	S	*	.	H	α-helix	trans	-84.1	-42.5	-178.1	-69.1	176.6	7	0	0	113	A157 F158 I159	A157-Q161 WeakPolarHBondContact O-CB 3.39Å; A157-Q161 VanDerWaalsContact O-CG 3.3Å; A157-Q161 WeakPolarHBondContact O-CG 3.34Å; A157-Q161 PolarHBondContact O-N 3.42Å; F158-Q161 PolarHBondContact O-N 3.23Å; I159-Q161 VanDerWaalsContact C-N 3.31Å; I159-Q161 PolarHBondContact O-N 2.58Å
162	V	90.3	Very high	77.4	Confident	22 Å²	22	59.2 Å²	59.2	13%	0.133	34%	0.343	C	S	.	.	H	α-helix	trans	-91.3	-30.7	-171.9	178.2	0	0	0	0	112	L29 L32 L115 F158 P164	L29-V162 HydrophobicContact CD1-CG1 3.45Å; L29-V162 VanDerWaalsContact CD1-CG1 3.45Å; L32-V162 HydrophobicContact CD1-CB 4.49Å; L32-V162 HydrophobicContact CD1-CG1 3.78Å; L115-V162 HydrophobicContact CD2-CG1 4.44Å; F158-V162 HydrophobicContact CD1-CB 4.38Å; F158-V162 HydrophobicContact CD1-CG2 4.42Å; F158-V162 HydrophobicContact CD2-CG2 3.95Å; F158-V162 HydrophobicContact CE1-CB 4.06Å; F158-V162 HydrophobicContact CE1-CG1 4.1Å; F158-V162 HydrophobicContact CE1-CG2 4.22Å; F158-V162 HydrophobicContact CE2-CB 4.44Å; F158-V162 HydrophobicContact CE2-CG2 3.73Å; F158-V162 HydrophobicContact CG-CG2 4.29Å; F158-V162 HydrophobicContact CZ-CB 4.08Å; F158-V162 HydrophobicContact CZ-CG1 3.93Å; F158-V162 HydrophobicContact CZ-CG2 3.86Å; F158-V162 VanDerWaalsContact O-CB 3.28Å; F158-V162 WeakPolarHBondContact O-CB 3.26Å; F158-V162 WeakPolarHBondContact O-CG2 3.39Å; F158-V162 PolarHBondContact O-N 3.33Å; V162-P164 WeakPolarHBondContact O-CD 3.47Å
163	L	86.9	Confident	75.4	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.01	36%	0.36	C	S	.	.			trans	-126.8	55.5	-174.5	-55.6	169.7	0	0	0	111.7	L25 F122 I138 V140 I159 D165 I166	L25-L163 HydrophobicContact CD2-CD2 4.05Å; F122-L163 HydrophobicContact CE1-CD2 4.47Å; F122-L163 HydrophobicContact CZ-CD2 4.3Å; I138-L163 HydrophobicContact CG2-CD1 4.12Å; V140-L163 HydrophobicContact CG2-CD1 4.12Å; I159-L163 CarbonylContact O-C 3.58Å; I159-L163 VanDerWaalsContact O-C 3.22Å; I159-L163 VanDerWaalsContact O-CA 3.29Å; I159-L163 WeakPolarHBondContact O-CA 3.45Å; I159-L163 WeakPolarHBondContact O-CB 3.46Å; I159-L163 PolarHBondContact O-N 3.33Å; L163-D165 PolarHBondContact O-N 3.16Å; L163-D165 VanDerWaalsContact O-N 3.14Å; L163-I166 HydrophobicContact CB-CD1 3.51Å; L163-I166 HydrophobicContact CB-CG1 4.07Å; L163-I166 HydrophobicContact CD1-CD1 3.71Å; L163-I166 HydrophobicContact CD2-CD1 4.34Å; L163-I166 HydrophobicContact CG-CD1 4.05Å; L163-I166 PolarHBondContact O-N 3.34Å; L163-I166 VanDerWaalsContact O-N 3.09Å
164	P	78.7	Confident	73.6	Confident	65 Å²	65	56 Å²	56	42%	0.422	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.1	-173.1	27.5	-36.5	0	0	0	113	V162 I166 C167	V162-P164 WeakPolarHBondContact O-CD 3.47Å; P164-I166 PolarHBondContact O-N 3.33Å; P164-C167 PolarHBondContact O-N 3.39Å
165	D	78	Confident	71.7	Confident	91 Å²	91	58.7 Å²	58.7	49%	0.487	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.6	-179.7	-48.9	-39.1	0	0	0	113	L25 K28 L163	L25-D165 HydrophobicContact CD2-CB 4.24Å; K28-D165 VanDerWaalsContact NZ-CG 3.35Å; K28-D165 IonicContact NZ-OD1 2.97Å; K28-D165 PolarHBondContact NZ-OD1 2.99Å; K28-D165 IonicContact NZ-OD2 2.75Å; K28-D165 PolarHBondContact NZ-OD2 3.37Å; L163-D165 PolarHBondContact O-N 3.16Å; L163-D165 VanDerWaalsContact O-N 3.14Å
166	I	75	Confident	70.4	Confident	24 Å²	24	66.3 Å²	66.3	12%	0.123	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-30.5	178.1	-53	173.4	0	0	0	110.7	L8 L25 I138 L163 P164	L8-I166 HydrophobicContact CD1-CG2 4.03Å; L25-I166 HydrophobicContact CD1-CD1 4.13Å; L25-I166 HydrophobicContact CD1-CG1 3.97Å; L25-I166 HydrophobicContact CD2-CG1 4.44Å; I138-I166 HydrophobicContact CB-CD1 4.44Å; I138-I166 HydrophobicContact CD1-CD1 3.3Å; I138-I166 HydrophobicContact CD1-CG1 4.06Å; I138-I166 HydrophobicContact CG1-CD1 4.4Å; I138-I166 HydrophobicContact CG2-CD1 4.21Å; L163-I166 HydrophobicContact CB-CD1 3.51Å; L163-I166 HydrophobicContact CB-CG1 4.07Å; L163-I166 HydrophobicContact CD1-CD1 3.71Å; L163-I166 HydrophobicContact CD2-CD1 4.34Å; L163-I166 HydrophobicContact CG-CD1 4.05Å; L163-I166 PolarHBondContact O-N 3.34Å; L163-I166 VanDerWaalsContact O-N 3.09Å; P164-I166 PolarHBondContact O-N 3.33Å
167	C	60.4	Low	69.9	Low	10 Å²	10	65 Å²	65	7%	0.068	38%	0.377	C	S	.	.	S	Bend	trans	-103.6	118.4	-178.3	-173.9	0	0	0	0	109.4	P164 I177	P164-C167 PolarHBondContact O-N 3.39Å; C167-I177 HydrophobicContact CB-CD1 3.97Å; C167-I177 WeakPolarHBondContact SG-CD1 3.49Å
168	P	50.6	Low	69.8	Low	72 Å²	72	63.5 Å²	63.5	47%	0.468	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-54.7	147.9	167.5	22.2	-30.8	0	0	0	110	S172	P168-S172 VanDerWaalsContact CB-OG 3.29Å; P168-S172 WeakPolarHBondContact CB-OG 3.38Å; P168-S172 WeakPolarHBondContact CG-OG 3.46Å
169	P	45.6	Very low	69.7	Low	103 Å²	103	62.7 Å²	62.7	67%	0.669	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-50.8	145.3	-174.6	19	-31	0	0	0	110.8	N171 S172	P169-N171 PolarHBondContact O-N 2.98Å; P169-S172 PolarHBondContact O-N 3.39Å; P169-S172 PolarHBondContact O-OG 3.1Å
170	A	47.4	Very low	69.6	Low	84 Å²	84	66.8 Å²	66.8	69%	0.694	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.7	0.4	-163	0	0	0	0	0	119.5
171	N	45.3	Very low	69.7	Low	154 Å²	154	64.2 Å²	64.2	82%	0.824	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-15.2	-170.1	-33.7	9.7	0	0	0	112	P169	P169-N171 PolarHBondContact O-N 2.98Å
172	S	48.9	Very low	70	Confident	49 Å²	49	56.7 Å²	56.7	34%	0.343	34%	0.335	S	S	.	.	S	Bend	trans	-96.2	141	171.3	52	0	0	0	0	110.1	P168 P169 T174	P168-S172 VanDerWaalsContact CB-OG 3.29Å; P168-S172 WeakPolarHBondContact CB-OG 3.38Å; P168-S172 WeakPolarHBondContact CG-OG 3.46Å; P169-S172 PolarHBondContact O-N 3.39Å; P169-S172 PolarHBondContact O-OG 3.1Å; S172-T174 PolarHBondContact O-N 3.23Å
173	S	50.8	Low	70	Confident	81 Å²	81	57.6 Å²	57.6	57%	0.566	34%	0.339	S	S	*	.			trans	-50.5	91.9	-176.6	46.6	0	0	0	0	112.9	E175 H176	S173-E175 PolarHBondContact O-N 3.23Å; S173-H176 PolarHBondContact O-CD2 2.94Å; S173-H176 PolarHBondContact O-N 3.39Å; S173-H176 PolarHBondContact OG-CD2 3.15Å
174	T	52.3	Low	70.2	Confident	25 Å²	25	63.1 Å²	63.1	15%	0.153	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-58.6	-6.6	179.9	51.5	0	0	0	0	114.6	K156 S172 H176 I177	K156-T174 WeakPolarHBondContact CE-OG1 3.35Å; K156-T174 PolarHBondContact NZ-OG1 3.05Å; S172-T174 PolarHBondContact O-N 3.23Å; T174-H176 PolarHBondContact O-N 3.02Å; T174-I177 HydrophobicContact CG2-CD1 4.48Å; T174-I177 WeakPolarHBondContact O-CD1 3.49Å; T174-I177 WeakPolarHBondContact O-CG1 3.47Å; T174-I177 PolarHBondContact O-N 2.87Å
175	E	54.5	Low	70.8	Confident	111 Å²	111	60 Å²	60	52%	0.519	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-69.2	-22.1	-179.1	-58.9	-158.4	128.9	0	0	113.2	R152 S173 I177	R152-E175 IonicContact NH2-OE1 3.66Å; R152-E175 PolarHBondContact NH2-OE1 2.78Å; S173-E175 PolarHBondContact O-N 3.23Å; E175-I177 PolarHBondContact O-N 2.78Å
176	H	66.4	Low	71.4	Confident	161 Å²	161	56.6 Å²	56.6	75%	0.745	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-77.8	-1.6	-179.8	-63.6	-66	0	0	0	114.7	S173 T174	S173-H176 PolarHBondContact O-CD2 2.94Å; S173-H176 PolarHBondContact O-N 3.39Å; S173-H176 PolarHBondContact OG-CD2 3.15Å; T174-H176 PolarHBondContact O-N 3.02Å
177	I	81.6	Confident	72	Confident	32 Å²	32	62.9 Å²	62.9	16%	0.164	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-76.6	-37.5	-178.6	-62.5	168.4	0	0	0	110.6	L8 C167 T174 E175	L8-I177 HydrophobicContact CD1-CG2 4.06Å; L8-I177 HydrophobicContact CD2-CG2 3.47Å; L8-I177 VanDerWaalsContact CD2-CG2 3.47Å; L8-I177 WeakPolarHBondContact CD2-O 3.43Å; L8-I177 HydrophobicContact CG-CG2 4.32Å; C167-I177 HydrophobicContact CB-CD1 3.97Å; C167-I177 WeakPolarHBondContact SG-CD1 3.49Å; T174-I177 HydrophobicContact CG2-CD1 4.48Å; T174-I177 WeakPolarHBondContact O-CD1 3.49Å; T174-I177 WeakPolarHBondContact O-CG1 3.47Å; T174-I177 PolarHBondContact O-N 2.87Å; E175-I177 PolarHBondContact O-N 2.78Å
178	F	89.7	Confident	73.1	Confident	12 Å²	12	66 Å²	66	5%	0.053	38%	0.375	C	S	.	.	S	Bend	trans	-83.7	151.7	-177.7	-61.9	-59.1	0	0	0	112	C6 L8 R152 K156 I159 F182 L183	C6-F178 HydrophobicContact CB-CD1 3.86Å; C6-F178 HydrophobicContact CB-CE1 3.93Å; L8-F178 HydrophobicContact CD2-CD1 4.39Å; R152-F178 HydrophobicContact CG-CE2 4.27Å; K156-F178 HydrophobicContact CB-CE2 4.27Å; K156-F178 HydrophobicContact CB-CZ 3.94Å; K156-F178 HydrophobicContact CG-CE2 4.48Å; K156-F178 HydrophobicContact CG-CZ 4.46Å; I159-F178 HydrophobicContact CD1-CE1 4.02Å; I159-F178 HydrophobicContact CD1-CZ 4.49Å; F178-F182 HydrophobicContact CB-CB 4.48Å; F178-F182 HydrophobicContact CB-CD1 3.72Å; F178-F182 HydrophobicContact CB-CE1 4.45Å; F178-F182 HydrophobicContact CB-CG 4.44Å; F178-F182 AromaticContact CD1-CD1 3.71Å; F178-F182 HydrophobicContact CD1-CD1 3.71Å; F178-F182 AromaticContact CD1-CE1 3.73Å; F178-F182 HydrophobicContact CD1-CE1 3.73Å; F178-F182 HydrophobicContact CD1-CG 4.46Å; F178-F182 HydrophobicContact CD2-CD1 4.31Å; F178-F182 HydrophobicContact CD2-CE1 4.25Å; F178-F182 HydrophobicContact CE1-CD1 4.41Å; F178-F182 AromaticContact CE1-CE1 3.97Å; F178-F182 HydrophobicContact CE1-CE1 3.97Å; F178-F182 HydrophobicContact CE2-CE1 4.45Å; F178-F182 AromaticContact CG-CD1 3.65Å; F178-F182 HydrophobicContact CG-CD1 3.65Å; F178-F182 AromaticContact CG-CE1 3.88Å; F178-F182 HydrophobicContact CG-CE1 3.88Å; F178-F182 HydrophobicContact CZ-CE1 4.32Å; F178-L183 HydrophobicContact CB-CD2 3.96Å; F178-L183 HydrophobicContact CB-CG 4Å; F178-L183 HydrophobicContact CD2-CD2 4.14Å; F178-L183 HydrophobicContact CG-CD2 4.47Å
179	S	90.9	Very high	74.4	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.007	37%	0.37	C	S	.	.			trans	-70.4	156.1	174	78.2	0	0	0	0	111.4	S181 F182 L183 Q227 E230	S179-S181 VanDerWaalsContact C-N 3.31Å; S179-S181 PolarHBondContact O-N 2.96Å; S179-S181 PolarHBondContact OG-OG 3.01Å; S179-F182 PolarHBondContact O-N 3.31Å; S179-F182 VanDerWaalsContact O-N 3.16Å; S179-F182 WeakPolarHBondContact OG-CB 3.39Å; S179-F182 PolarHBondContact OG-N 3.23Å; S179-L183 PolarHBondContact O-N 3.05Å; S179-L183 VanDerWaalsContact O-N 3.1Å; S179-Q227 VanDerWaalsContact OG-CG 3.25Å; S179-Q227 WeakPolarHBondContact OG-CG 3.18Å; S179-Q227 PolarHBondContact OG-OE1 2.98Å; S179-E230 VanDerWaalsContact CB-OE2 3.25Å; S179-E230 WeakPolarHBondContact CB-OE2 3.48Å; S179-E230 PolarHBondContact OG-OE2 3.39Å
180	P	91	Very high	75.6	Confident	89 Å²	89	62.8 Å²	62.8	58%	0.578	36%	0.359	S	S	*	.	H	α-helix	trans	-55.6	-43.5	174.8	-26.4	35.5	0	0	0	113.2	F182 L183 Q184	P180-F182 VanDerWaalsContact C-N 3.31Å; P180-F182 PolarHBondContact O-N 3.32Å; P180-L183 PolarHBondContact O-N 2.98Å; P180-Q184 WeakPolarHBondContact O-CB 3.29Å; P180-Q184 PolarHBondContact O-N 2.96Å
181	S	91.7	Very high	76.5	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.014	33%	0.332	C	S	.	.	H	α-helix	trans	-60.4	-37.9	176.9	49.1	0	0	0	0	113.4	S179 A185 L223 Q227 E230	S179-S181 VanDerWaalsContact C-N 3.31Å; S179-S181 PolarHBondContact O-N 2.96Å; S179-S181 PolarHBondContact OG-OG 3.01Å; S181-A185 VanDerWaalsContact O-CB 3.3Å; S181-A185 WeakPolarHBondContact O-CB 3.44Å; S181-A185 PolarHBondContact O-N 3.24Å; S181-L223 WeakPolarHBondContact O-CD1 3.35Å; S181-Q227 WeakPolarHBondContact OG-CG 3.48Å; S181-E230 VanDerWaalsContact CB-OE1 3.26Å; S181-E230 WeakPolarHBondContact CB-OE1 3.35Å; S181-E230 WeakPolarHBondContact CB-OE2 3.46Å; S181-E230 PolarHBondContact N-OE1 2.83Å; S181-E230 PolarHBondContact N-OE2 3.03Å; S181-E230 PolarHBondContact OG-OE1 3.29Å; S181-E230 PolarHBondContact OG-OE2 3.22Å
182	F	93.3	Very high	77.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67.4	-47.7	176.7	-177.8	-93	0	0	0	111.7	V4 C6 R152 L155 F178 S179 P180 Q184 A185 V186 L223 Q227	V4-F182 HydrophobicContact CG1-CE2 3.97Å; C6-F182 HydrophobicContact CB-CD2 3.98Å; C6-F182 HydrophobicContact CB-CE2 3.88Å; C6-F182 HydrophobicContact CB-CG 4.38Å; C6-F182 HydrophobicContact CB-CZ 4.2Å; R152-F182 HydrophobicContact CB-CE1 4.41Å; R152-F182 HydrophobicContact CG-CE1 4.36Å; L155-F182 HydrophobicContact CD1-CE2 3.87Å; L155-F182 HydrophobicContact CD1-CZ 3.71Å; F178-F182 HydrophobicContact CB-CB 4.48Å; F178-F182 HydrophobicContact CB-CD1 3.72Å; F178-F182 HydrophobicContact CB-CE1 4.45Å; F178-F182 HydrophobicContact CB-CG 4.44Å; F178-F182 AromaticContact CD1-CD1 3.71Å; F178-F182 HydrophobicContact CD1-CD1 3.71Å; F178-F182 AromaticContact CD1-CE1 3.73Å; F178-F182 HydrophobicContact CD1-CE1 3.73Å; F178-F182 HydrophobicContact CD1-CG 4.46Å; F178-F182 HydrophobicContact CD2-CD1 4.31Å; F178-F182 HydrophobicContact CD2-CE1 4.25Å; F178-F182 HydrophobicContact CE1-CD1 4.41Å; F178-F182 AromaticContact CE1-CE1 3.97Å; F178-F182 HydrophobicContact CE1-CE1 3.97Å; F178-F182 HydrophobicContact CE2-CE1 4.45Å; F178-F182 AromaticContact CG-CD1 3.65Å; F178-F182 HydrophobicContact CG-CD1 3.65Å; F178-F182 AromaticContact CG-CE1 3.88Å; F178-F182 HydrophobicContact CG-CE1 3.88Å; F178-F182 HydrophobicContact CZ-CE1 4.32Å; S179-F182 PolarHBondContact O-N 3.31Å; S179-F182 VanDerWaalsContact O-N 3.16Å; S179-F182 WeakPolarHBondContact OG-CB 3.39Å; S179-F182 PolarHBondContact OG-N 3.23Å; P180-F182 VanDerWaalsContact C-N 3.31Å; P180-F182 PolarHBondContact O-N 3.32Å; F182-Q184 VanDerWaalsContact C-N 3.33Å; F182-Q184 PolarHBondContact O-N 3.28Å; F182-A185 PolarHBondContact O-N 3.43Å; F182-V186 HydrophobicContact CD1-CG2 4.11Å; F182-V186 HydrophobicContact CE1-CG2 3.72Å; F182-V186 HydrophobicContact CE2-CG2 4.47Å; F182-V186 HydrophobicContact CZ-CG2 3.91Å; F182-V186 WeakPolarHBondContact O-CG2 3.43Å; F182-V186 PolarHBondContact O-N 2.93Å; F182-L223 HydrophobicContact CD2-CD2 4.29Å; F182-Q227 HydrophobicContact CB-CG 4.49Å
183	L	92	Very high	77.2	Confident	42 Å²	42	56.4 Å²	56.4	22%	0.22	32%	0.318	C	S	.	.	H	α-helix	trans	-58.9	-47	177.6	-68	174.2	0	0	0	111.1	F178 S179 P180 A185 V186 E187	F178-L183 HydrophobicContact CB-CD2 3.96Å; F178-L183 HydrophobicContact CB-CG 4Å; F178-L183 HydrophobicContact CD2-CD2 4.14Å; F178-L183 HydrophobicContact CG-CD2 4.47Å; S179-L183 PolarHBondContact O-N 3.05Å; S179-L183 VanDerWaalsContact O-N 3.1Å; P180-L183 PolarHBondContact O-N 2.98Å; L183-A185 PolarHBondContact O-N 2.93Å; L183-V186 PolarHBondContact O-N 2.89Å; L183-E187 WeakPolarHBondContact O-CG 3.07Å; L183-E187 PolarHBondContact O-N 2.84Å
184	Q	90.6	Very high	77	Confident	117 Å²	117	57.9 Å²	57.9	55%	0.547	33%	0.326	S	S	.	.	H	α-helix	trans	-58.2	-46.6	176.3	-174.9	178.8	7.9	0	0	111.5	P180 F182 V186 E187 T188	P180-Q184 WeakPolarHBondContact O-CB 3.29Å; P180-Q184 PolarHBondContact O-N 2.96Å; F182-Q184 VanDerWaalsContact C-N 3.33Å; F182-Q184 PolarHBondContact O-N 3.28Å; Q184-V186 VanDerWaalsContact C-N 3.3Å; Q184-V186 PolarHBondContact O-N 3.32Å; Q184-E187 PolarHBondContact O-N 3.33Å; Q184-T188 HydrophobicContact CG-CG2 4.34Å; Q184-T188 WeakPolarHBondContact O-CG2 3.27Å; Q184-T188 PolarHBondContact O-N 2.94Å; Q184-T188 PolarHBondContact O-OG1 2.98Å
185	A	90.5	Very high	76.9	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-65.5	-31.8	-179.6	0	0	0	0	0	113.4	I148 S181 F182 L183 G189 F191 L223	I148-A185 HydrophobicContact CG2-CB 3.86Å; S181-A185 VanDerWaalsContact O-CB 3.3Å; S181-A185 WeakPolarHBondContact O-CB 3.44Å; S181-A185 PolarHBondContact O-N 3.24Å; F182-A185 PolarHBondContact O-N 3.43Å; L183-A185 PolarHBondContact O-N 2.93Å; A185-G189 CarbonylContact O-C 3.57Å; A185-G189 VanDerWaalsContact O-CA 3.29Å; A185-G189 WeakPolarHBondContact O-CA 3.49Å; A185-G189 PolarHBondContact O-N 3.44Å; A185-F191 HydrophobicContact CB-CB 3.94Å; A185-F191 HydrophobicContact CB-CD2 4.03Å; A185-F191 HydrophobicContact CB-CG 4.41Å; A185-L223 HydrophobicContact CB-CD1 3.96Å; A185-L223 HydrophobicContact CB-CD2 3.79Å; A185-L223 HydrophobicContact CB-CG 4.49Å
186	V	90	Very high	76.4	Confident	19 Å²	19	70.8 Å²	70.8	12%	0.115	37%	0.367	C	S	.	.	H	α-helix	trans	-68.4	-44.4	173.3	170.6	0	0	0	0	110.6	I148 H149 R152 F182 L183 Q184	I148-V186 HydrophobicContact CG2-CG2 3.98Å; H149-V186 WeakPolarHBondContact CB-O 3.25Å; R152-V186 HydrophobicContact CB-CG1 3.95Å; R152-V186 HydrophobicContact CB-CG2 3.99Å; R152-V186 HydrophobicContact CG-CG1 4.47Å; F182-V186 HydrophobicContact CD1-CG2 4.11Å; F182-V186 HydrophobicContact CE1-CG2 3.72Å; F182-V186 HydrophobicContact CE2-CG2 4.47Å; F182-V186 HydrophobicContact CZ-CG2 3.91Å; F182-V186 WeakPolarHBondContact O-CG2 3.43Å; F182-V186 PolarHBondContact O-N 2.93Å; L183-V186 PolarHBondContact O-N 2.89Å; Q184-V186 VanDerWaalsContact C-N 3.3Å; Q184-V186 PolarHBondContact O-N 3.32Å
187	E	87.8	Confident	75.1	Confident	157 Å²	157	67.6 Å²	67.6	73%	0.734	36%	0.361	S	S	*	.	H	α-helix	trans	-67	-42.3	-179	-72.7	173.2	-176.7	0	0	112.8	L183 Q184	L183-E187 WeakPolarHBondContact O-CG 3.07Å; L183-E187 PolarHBondContact O-N 2.84Å; Q184-E187 PolarHBondContact O-N 3.33Å
188	T	84.7	Confident	72.9	Confident	76 Å²	76	71 Å²	71	47%	0.466	39%	0.385	S	S	.	.	H	α-helix	trans	-86.5	-16.1	-178.1	58.6	0	0	0	0	113	Q184 T190	Q184-T188 HydrophobicContact CG-CG2 4.34Å; Q184-T188 WeakPolarHBondContact O-CG2 3.27Å; Q184-T188 PolarHBondContact O-N 2.94Å; Q184-T188 PolarHBondContact O-OG1 2.98Å; T188-T190 PolarHBondContact O-N 3.48Å; T188-T190 VanDerWaalsContact O-N 3.15Å; T188-T190 PolarHBondContact OG1-N 3.48Å; T188-T190 PolarHBondContact OG1-O 3.39Å
189	G	77.7	Confident	70.5	Confident	35 Å²	35	75.6 Å²	75.6	36%	0.361	42%	0.419	S	S	.	.	S	Bend	trans	66.4	3.9	-169.6	0	0	0	0	0	114.4	A185	A185-G189 CarbonylContact O-C 3.57Å; A185-G189 VanDerWaalsContact O-CA 3.29Å; A185-G189 WeakPolarHBondContact O-CA 3.49Å; A185-G189 PolarHBondContact O-N 3.44Å
190	T	70.2	Confident	68.1	Low	71 Å²	71	83.9 Å²	83.9	44%	0.436	46%	0.457	S	S	.	.			trans	-146.1	136.1	-179.2	179.9	0	0	0	0	110.9	T188 D192	T188-T190 PolarHBondContact O-N 3.48Å; T188-T190 VanDerWaalsContact O-N 3.15Å; T188-T190 PolarHBondContact OG1-N 3.48Å; T188-T190 PolarHBondContact OG1-O 3.39Å; T190-D192 PolarHBondContact OG1-N 2.89Å; T190-D192 PolarHBondContact OG1-O 3.19Å
191	F	67.3	Low	65.8	Low	30 Å²	30	85.9 Å²	85.9	13%	0.132	46%	0.462	C	S	.	.	S	Bend	trans	-95.1	-11.4	177	-177.6	-108.1	0	0	0	112.8	A185 V219 R222 L223 T226	A185-F191 HydrophobicContact CB-CB 3.94Å; A185-F191 HydrophobicContact CB-CD2 4.03Å; A185-F191 HydrophobicContact CB-CG 4.41Å; F191-V219 HydrophobicContact CB-CG1 3.92Å; F191-R222 HydrophobicContact CD1-CB 4.21Å; F191-R222 HydrophobicContact CE1-CB 4.23Å; F191-R222 WeakPolarHBondContact CE1-O 3.48Å; F191-L223 HydrophobicContact CB-CB 4.1Å; F191-L223 HydrophobicContact CB-CD1 4.48Å; F191-L223 VanDerWaalsContact CD1-CA 3.4Å; F191-L223 HydrophobicContact CD1-CB 3.7Å; F191-L223 HydrophobicContact CD1-CD1 4.37Å; F191-L223 HydrophobicContact CD2-CB 4.3Å; F191-L223 HydrophobicContact CD2-CD1 3.48Å; F191-L223 VanDerWaalsContact CD2-CD1 3.48Å; F191-L223 HydrophobicContact CD2-CG 4.42Å; F191-L223 HydrophobicContact CE1-CB 4.3Å; F191-L223 HydrophobicContact CE2-CD1 3.8Å; F191-L223 HydrophobicContact CG-CB 3.73Å; F191-L223 HydrophobicContact CG-CD1 3.82Å; F191-L223 HydrophobicContact CG-CG 4.28Å; F191-L223 HydrophobicContact CZ-CD1 4.39Å; F191-T226 WeakPolarHBondContact CE1-OG1 3.32Å; F191-T226 HydrophobicContact CE2-CG2 4.29Å; F191-T226 HydrophobicContact CZ-CG2 3.63Å; F191-T226 WeakPolarHBondContact CZ-OG1 3.32Å
192	D	61.4	Low	63	Low	50 Å²	50	90.4 Å²	90.4	27%	0.267	50%	0.5	S	S	.	.			trans	-167.9	132.7	178.2	-120.1	-56.6	0	0	0	112.6	T190 R222	T190-D192 PolarHBondContact OG1-N 2.89Å; T190-D192 PolarHBondContact OG1-O 3.19Å; D192-R222 VanDerWaalsContact CG-NH2 3.29Å; D192-R222 IonicContact OD1-NH1 3.93Å; D192-R222 IonicContact OD1-NH2 3.75Å; D192-R222 IonicContact OD2-CZ 2.95Å; D192-R222 IonicContact OD2-NE 3.92Å; D192-R222 IonicContact OD2-NH1 3.02Å; D192-R222 PolarHBondContact OD2-NH1 3.14Å; D192-R222 IonicContact OD2-NH2 2.58Å; D192-R222 PolarHBondContact OD2-NH2 2.96Å
193	A	46.8	Very low	60.7	Low	74 Å²	74	97.5 Å²	97.5	61%	0.612	53%	0.531	S	S	*	.			trans	-67.4	135.3	161.8	0	0	0	0	0	108	R195	A193-R195 PolarHBondContact O-N 3.04Å
194	P	45.7	Very low	58.1	Low	112 Å²	112	101.7 Å²	101.7	73%	0.727	56%	0.561	S	S	*	*			trans	-65.1	99.2	177.7	26	-30.7	0	0	0	108.5	W196	P194-W196 PolarHBondContact O-N 2.75Å
195	R	50.9	Low	55.9	Low	246 Å²	246	101.5 Å²	101.5	93%	0.928	57%	0.567	S	S	*	*			trans	-84.9	17.6	165.2	-142.5	-171.2	-82.9	-139.4	1.7	111.3	A193	A193-R195 PolarHBondContact O-N 3.04Å
196	W	44.6	Very low	53.4	Low	161 Å²	161	110.1 Å²	110.1	61%	0.61	61%	0.608	S	S	*	*	S	Bend	trans	-69.1	142.1	164.8	-138.8	-108.9	0	0	0	107.8	P194	P194-W196 PolarHBondContact O-N 2.75Å
197	P	38.6	Very low	50.9	Low	94 Å²	94	115.8 Å²	115.8	61%	0.61	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-54.3	134	163	26.1	-32.4	0	0	0	106.9	S199	P197-S199 PolarHBondContact O-N 2.99Å; P197-S199 VanDerWaalsContact O-N 3.11Å
198	P	35.8	Very low	48.5	Very low	102 Å²	102	116 Å²	116	66%	0.662	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-52.6	128.7	170	14	-18.1	0	0	0	106.2	Q200	P198-Q200 HydrophobicContact CB-CG 4.47Å; P198-Q200 PolarHBondContact O-N 2.83Å
199	S	40	Very low	46.2	Very low	110 Å²	110	121.3 Å²	121.3	77%	0.769	66%	0.66	S	S	*	*			trans	-59.8	81.2	173.5	-53.8	0	0	0	0	108.4	P197	P197-S199 PolarHBondContact O-N 2.99Å; P197-S199 VanDerWaalsContact O-N 3.11Å
200	Q	40.1	Very low	44.2	Very low	175 Å²	175	128.1 Å²	128.1	82%	0.818	69%	0.688	S	S	*	*			trans	-86.5	0.5	168.9	-71.5	-162.6	-20	0	0	111.1	P198 A202	P198-Q200 HydrophobicContact CB-CG 4.47Å; P198-Q200 PolarHBondContact O-N 2.83Å; Q200-A202 PolarHBondContact O-N 3.43Å
201	L	42.2	Very low	43.1	Very low	130 Å²	130	131.3 Å²	131.3	68%	0.681	70%	0.698	S	S	*	*			trans	-85.1	85.9	164.6	-77.1	163.2	0	0	0	108.7	F203	L201-F203 VanDerWaalsContact C-N 3.33Å; L201-F203 HydrophobicContact CB-CD2 4.2Å; L201-F203 HydrophobicContact CB-CE2 3.71Å; L201-F203 HydrophobicContact CB-CZ 4.17Å; L201-F203 HydrophobicContact CD1-CE2 4.36Å; L201-F203 HydrophobicContact CD1-CZ 4.31Å; L201-F203 HydrophobicContact CD2-CZ 4.39Å; L201-F203 HydrophobicContact CG-CE2 4.49Å; L201-F203 PolarHBondContact O-N 3Å
202	A	32.9	Very low	42.2	Very low	98 Å²	98	136 Å²	136	81%	0.81	72%	0.724	S	S	*	*			trans	-66.1	95.1	161.8	0	0	0	0	0	108.1	Q200	Q200-A202 PolarHBondContact O-N 3.43Å
203	F	45.7	Very low	41.9	Very low	149 Å²	149	138 Å²	138	65%	0.654	74%	0.735	S	S	*	*			trans	-80.3	129.4	162	-66.3	-75.6	0	0	0	107.6	L201 V205	L201-F203 VanDerWaalsContact C-N 3.33Å; L201-F203 HydrophobicContact CB-CD2 4.2Å; L201-F203 HydrophobicContact CB-CE2 3.71Å; L201-F203 HydrophobicContact CB-CZ 4.17Å; L201-F203 HydrophobicContact CD1-CE2 4.36Å; L201-F203 HydrophobicContact CD1-CZ 4.31Å; L201-F203 HydrophobicContact CD2-CZ 4.39Å; L201-F203 HydrophobicContact CG-CE2 4.49Å; L201-F203 PolarHBondContact O-N 3Å; F203-V205 VanDerWaalsContact C-N 3.32Å; F203-V205 HydrophobicContact CB-CG2 4.11Å; F203-V205 PolarHBondContact O-N 3.09Å
204	P	37.1	Very low	42.7	Very low	129 Å²	129	136.3 Å²	136.3	84%	0.838	72%	0.718	S	S	*	*			trans	-71.6	95.1	170	29.3	-28.5	0	0	0	106.9	E206	P204-E206 PolarHBondContact O-N 3.22Å
205	V	43.7	Very low	44.1	Very low	113 Å²	113	135.8 Å²	135.8	69%	0.685	72%	0.715	S	S	*	*			trans	-94.3	81.3	171.8	-174.7	0	0	0	0	107.7	F203 N207	F203-V205 VanDerWaalsContact C-N 3.32Å; F203-V205 HydrophobicContact CB-CG2 4.11Å; F203-V205 PolarHBondContact O-N 3.09Å; V205-N207 VanDerWaalsContact C-N 3.27Å; V205-N207 HydrophobicContact CG1-CB 4.48Å; V205-N207 PolarHBondContact O-N 2.99Å
206	E	37.9	Very low	45.3	Very low	182 Å²	182	128.3 Å²	128.3	85%	0.85	69%	0.693	S	S	*	*			trans	-67	96.2	142.5	-76.7	-173.8	155.5	0	0	106	P204	P204-E206 PolarHBondContact O-N 3.22Å
207	N	38.7	Very low	47	Very low	137 Å²	137	121.1 Å²	121.1	73%	0.733	67%	0.667	S	S	*	*	S	Bend	trans	-179.3	125.7	149.2	-91	-30.7	0	0	0	110.5	V205 F209	V205-N207 VanDerWaalsContact C-N 3.27Å; V205-N207 HydrophobicContact CG1-CB 4.48Å; V205-N207 PolarHBondContact O-N 2.99Å; N207-F209 VanDerWaalsContact C-N 3.27Å; N207-F209 PolarHBondContact O-N 2.61Å
208	N	35.8	Very low	49	Very low	163 Å²	163	120.9 Å²	120.9	87%	0.872	66%	0.658	S	S	*	*			trans	-60.5	70.8	177.1	-76.5	-31.8	0	0	0	113.7
209	F	36.3	Very low	51.5	Low	186 Å²	186	117.4 Å²	117.4	82%	0.816	64%	0.635	S	S	*	*			trans	-99.2	90.6	157.2	-98.2	-91	0	0	0	108.6	N207 Q211	N207-F209 VanDerWaalsContact C-N 3.27Å; N207-F209 PolarHBondContact O-N 2.61Å; F209-Q211 PolarHBondContact O-N 2.89Å
210	L	35.8	Very low	53.9	Low	179 Å²	179	112.3 Å²	112.3	94%	0.937	60%	0.599	S	S	*	*			trans	-64.3	84.7	165.3	-71.7	168.8	0	0	0	108.4
211	Q	47.8	Very low	56.3	Low	138 Å²	138	104.9 Å²	104.9	65%	0.645	57%	0.566	S	S	*	*			trans	-111.9	116	161.9	-163.9	160.6	-11.6	0	0	106.3	F209 D213	F209-Q211 PolarHBondContact O-N 2.89Å; Q211-D213 PolarHBondContact O-N 3.01Å
212	D	48	Very low	58.6	Low	127 Å²	127	101 Å²	101	68%	0.679	54%	0.542	S	S	*	.			trans	-69.3	56.2	-175.2	-163.7	21.4	0	0	0	111.4	S214	D212-S214 PolarHBondContact O-N 3.25Å
213	D	55.1	Low	61.5	Low	93 Å²	93	96.4 Å²	96.4	50%	0.497	50%	0.504	S	S	.	.			trans	-81.8	64.9	-179.9	-86.3	-7.8	0	0	0	109.4	Q211 H218	Q211-D213 PolarHBondContact O-N 3.01Å; D213-H218 IonicContact OD1-CE1 2.78Å; D213-H218 IonicContact OD1-NE2 3.3Å; D213-H218 IonicContact OD2-NE2 3.99Å
214	S	64.8	Low	63.9	Low	38 Å²	38	89.7 Å²	89.7	27%	0.266	48%	0.475	S	S	.	.			trans	-66.4	140	167.4	69.3	0	0	0	0	109.6	D212 L216 S217 H218	D212-S214 PolarHBondContact O-N 3.25Å; S214-L216 PolarHBondContact O-N 2.95Å; S214-S217 WeakPolarHBondContact O-CB 3.47Å; S214-S217 PolarHBondContact O-N 3.15Å; S214-S217 PolarHBondContact O-OG 3.07Å; S214-S217 PolarHBondContact OG-N 3.23Å; S214-H218 PolarHBondContact O-CD2 2.96Å; S214-H218 PolarHBondContact O-N 2.76Å
215	P	74.5	Confident	66.6	Low	101 Å²	101	83.7 Å²	83.7	66%	0.656	44%	0.435	S	S	*	.	H	α-helix	trans	-55.8	-29.1	177.4	21.8	-33.3	0	0	0	112.2	H218 V219	P215-H218 PolarHBondContact O-N 2.77Å; P215-V219 VanDerWaalsContact O-CG2 3.32Å; P215-V219 WeakPolarHBondContact O-CG2 3.29Å; P215-V219 PolarHBondContact O-N 2.81Å; P215-V219 VanDerWaalsContact O-N 3.14Å
216	L	76.4	Confident	69	Low	90 Å²	90	79 Å²	79	47%	0.471	41%	0.408	S	S	.	.	H	α-helix	trans	-67.8	-35.6	175.9	-63.2	178.9	0	0	0	112.9	S214 V219 C220	S214-L216 PolarHBondContact O-N 2.95Å; L216-V219 PolarHBondContact O-N 2.89Å; L216-C220 PolarHBondContact O-N 2.84Å; L216-C220 PolarHBondContact O-SG 2.79Å
217	S	79	Confident	71.8	Confident	9 Å²	9	70.4 Å²	70.4	6%	0.063	37%	0.367	C	S	.	.	H	α-helix	trans	-62.6	-46.8	176.2	77.5	0	0	0	0	109.8	S214 V219 C220 V221	S214-S217 WeakPolarHBondContact O-CB 3.47Å; S214-S217 PolarHBondContact O-N 3.15Å; S214-S217 PolarHBondContact O-OG 3.07Å; S214-S217 PolarHBondContact OG-N 3.23Å; S217-V219 VanDerWaalsContact C-N 3.33Å; S217-V219 PolarHBondContact O-N 2.86Å; S217-C220 WeakPolarHBondContact O-CB 3.43Å; S217-C220 PolarHBondContact O-N 2.84Å; S217-C220 VanDerWaalsContact O-N 3.14Å; S217-V221 VanDerWaalsContact O-CG2 3.27Å; S217-V221 WeakPolarHBondContact O-CG2 3.41Å; S217-V221 PolarHBondContact O-N 3.14Å
218	H	82.5	Confident	74.5	Confident	90 Å²	90	63.9 Å²	63.9	42%	0.417	33%	0.332	S	S	.	.	H	α-helix	trans	-59.7	-40.7	176.1	-67.3	-78.2	0	0	0	112.9	D213 S214 P215 V221 R222	D213-H218 IonicContact OD1-CE1 2.78Å; D213-H218 IonicContact OD1-NE2 3.3Å; D213-H218 IonicContact OD2-NE2 3.99Å; S214-H218 PolarHBondContact O-CD2 2.96Å; S214-H218 PolarHBondContact O-N 2.76Å; P215-H218 PolarHBondContact O-N 2.77Å; H218-V221 PolarHBondContact O-N 3.36Å; H218-R222 WeakPolarHBondContact O-CG 3.21Å; H218-R222 PolarHBondContact O-N 3.38Å
219	V	86.9	Confident	77.4	Confident	29 Å²	29	56.2 Å²	56.2	18%	0.176	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-45.8	175.4	173.8	0	0	0	0	110.5	I148 F191 P215 L216 S217 V221 R222 L223	I148-V219 HydrophobicContact CD1-CG1 3.91Å; F191-V219 HydrophobicContact CB-CG1 3.92Å; P215-V219 VanDerWaalsContact O-CG2 3.32Å; P215-V219 WeakPolarHBondContact O-CG2 3.29Å; P215-V219 PolarHBondContact O-N 2.81Å; P215-V219 VanDerWaalsContact O-N 3.14Å; L216-V219 PolarHBondContact O-N 2.89Å; S217-V219 VanDerWaalsContact C-N 3.33Å; S217-V219 PolarHBondContact O-N 2.86Å; V219-V221 PolarHBondContact O-N 3.33Å; V219-R222 PolarHBondContact O-N 3.42Å; V219-L223 WeakPolarHBondContact O-CB 3.27Å; V219-L223 PolarHBondContact O-N 3.43Å
220	C	90.7	Very high	80.1	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.02	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-43.1	177.3	-65.7	0	0	0	0	111.8	G3 L216 S217 R222 L223 T224	G3-C220 WeakPolarHBondContact O-CB 3.28Å; L216-C220 PolarHBondContact O-N 2.84Å; L216-C220 PolarHBondContact O-SG 2.79Å; S217-C220 WeakPolarHBondContact O-CB 3.43Å; S217-C220 PolarHBondContact O-N 2.84Å; S217-C220 VanDerWaalsContact O-N 3.14Å; C220-R222 PolarHBondContact O-N 2.91Å; C220-L223 WeakPolarHBondContact O-CB 3.32Å; C220-L223 PolarHBondContact O-N 3.48Å; C220-T224 PolarHBondContact O-N 3.27Å; C220-T224 PolarHBondContact O-OG1 3.03Å
221	V	90.9	Very high	82.9	Confident	19 Å²	19	42.2 Å²	42.2	12%	0.115	22%	0.224	C	C	.	.	H	α-helix	trans	-58.4	-49.3	175.5	172.4	0	0	0	0	111.4	Y67 F72 S217 H218 V219 L223 T224 M225	Y67-V221 HydrophobicContact CD1-CG1 4.07Å; Y67-V221 HydrophobicContact CD2-CG1 4.23Å; Y67-V221 HydrophobicContact CE1-CB 4.2Å; Y67-V221 HydrophobicContact CE1-CG1 3.49Å; Y67-V221 VanDerWaalsContact CE1-CG1 3.49Å; Y67-V221 HydrophobicContact CE1-CG2 3.6Å; Y67-V221 HydrophobicContact CE2-CG1 3.71Å; Y67-V221 HydrophobicContact CG-CG1 4.41Å; Y67-V221 WeakPolarHBondContact OH-CG2 3.46Å; F72-V221 HydrophobicContact CE1-CG1 3.9Å; F72-V221 HydrophobicContact CZ-CG1 3.68Å; S217-V221 VanDerWaalsContact O-CG2 3.27Å; S217-V221 WeakPolarHBondContact O-CG2 3.41Å; S217-V221 PolarHBondContact O-N 3.14Å; H218-V221 PolarHBondContact O-N 3.36Å; V219-V221 PolarHBondContact O-N 3.33Å; V221-L223 VanDerWaalsContact C-N 3.3Å; V221-L223 PolarHBondContact O-N 3.47Å; V221-T224 PolarHBondContact O-N 2.91Å; V221-M225 HydrophobicContact CG1-CG 4.41Å; V221-M225 WeakPolarHBondContact O-CG 3.44Å; V221-M225 PolarHBondContact O-N 2.84Å
222	R	91	Very high	85.1	Confident	49 Å²	49	35.6 Å²	35.6	19%	0.185	19%	0.193	C	C	.	.	H	α-helix	trans	-63.9	-38.3	-179.4	-71.8	178	72.3	-145.3	1.5	111.7	F72 A80 V82 F191 D192 H218 V219 C220 T226	F72-R222 HydrophobicContact CE1-CG 4.49Å; A80-R222 PolarHBondContact O-NH2 2.83Å; V82-R222 HydrophobicContact CG2-CG 3.76Å; F191-R222 HydrophobicContact CD1-CB 4.21Å; F191-R222 HydrophobicContact CE1-CB 4.23Å; F191-R222 WeakPolarHBondContact CE1-O 3.48Å; D192-R222 VanDerWaalsContact CG-NH2 3.29Å; D192-R222 IonicContact OD1-NH1 3.93Å; D192-R222 IonicContact OD1-NH2 3.75Å; D192-R222 IonicContact OD2-CZ 2.95Å; D192-R222 IonicContact OD2-NE 3.92Å; D192-R222 IonicContact OD2-NH1 3.02Å; D192-R222 PolarHBondContact OD2-NH1 3.14Å; D192-R222 IonicContact OD2-NH2 2.58Å; D192-R222 PolarHBondContact OD2-NH2 2.96Å; H218-R222 WeakPolarHBondContact O-CG 3.21Å; H218-R222 PolarHBondContact O-N 3.38Å; V219-R222 PolarHBondContact O-N 3.42Å; C220-R222 PolarHBondContact O-N 2.91Å; R222-T226 WeakPolarHBondContact O-CB 3.44Å; R222-T226 PolarHBondContact O-N 3.1Å; R222-T226 PolarHBondContact O-OG1 3.14Å
223	L	93.3	Very high	87.3	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-58	-58	172.3	173.2	57.7	0	0	0	109.8	I148 S181 F182 A185 F191 V219 C220 V221 M225 T226 Q227	I148-L223 HydrophobicContact CD1-CD2 3.84Å; I148-L223 HydrophobicContact CG1-CD2 4.17Å; I148-L223 HydrophobicContact CG2-CD2 4Å; S181-L223 WeakPolarHBondContact O-CD1 3.35Å; F182-L223 HydrophobicContact CD2-CD2 4.29Å; A185-L223 HydrophobicContact CB-CD1 3.96Å; A185-L223 HydrophobicContact CB-CD2 3.79Å; A185-L223 HydrophobicContact CB-CG 4.49Å; F191-L223 HydrophobicContact CB-CB 4.1Å; F191-L223 HydrophobicContact CB-CD1 4.48Å; F191-L223 VanDerWaalsContact CD1-CA 3.4Å; F191-L223 HydrophobicContact CD1-CB 3.7Å; F191-L223 HydrophobicContact CD1-CD1 4.37Å; F191-L223 HydrophobicContact CD2-CB 4.3Å; F191-L223 HydrophobicContact CD2-CD1 3.48Å; F191-L223 VanDerWaalsContact CD2-CD1 3.48Å; F191-L223 HydrophobicContact CD2-CG 4.42Å; F191-L223 HydrophobicContact CE1-CB 4.3Å; F191-L223 HydrophobicContact CE2-CD1 3.8Å; F191-L223 HydrophobicContact CG-CB 3.73Å; F191-L223 HydrophobicContact CG-CD1 3.82Å; F191-L223 HydrophobicContact CG-CG 4.28Å; F191-L223 HydrophobicContact CZ-CD1 4.39Å; V219-L223 WeakPolarHBondContact O-CB 3.27Å; V219-L223 PolarHBondContact O-N 3.43Å; C220-L223 WeakPolarHBondContact O-CB 3.32Å; C220-L223 PolarHBondContact O-N 3.48Å; V221-L223 VanDerWaalsContact C-N 3.3Å; V221-L223 PolarHBondContact O-N 3.47Å; L223-M225 VanDerWaalsContact C-N 3.31Å; L223-M225 PolarHBondContact O-N 2.84Å; L223-T226 WeakPolarHBondContact O-CA 3.43Å; L223-T226 WeakPolarHBondContact O-CB 3.37Å; L223-T226 PolarHBondContact O-N 3.15Å; L223-Q227 HydrophobicContact CD1-CG 4.15Å; L223-Q227 WeakPolarHBondContact O-CG 3.26Å; L223-Q227 PolarHBondContact O-N 3.1Å
224	T	94.8	Very high	89.1	Confident	7 Å²	7	29.6 Å²	29.6	4%	0.043	16%	0.162	C	C	.	.	H	α-helix	trans	-52.3	-46.5	179.6	-52.5	0	0	0	0	112.6	S5 V7 E139 C220 V221 T226 Q227 Y228	S5-T224 WeakPolarHBondContact CB-OG1 3.22Å; V7-T224 HydrophobicContact CG2-CG2 4.2Å; E139-T224 VanDerWaalsContact OE1-CG2 3.28Å; E139-T224 WeakPolarHBondContact OE1-CG2 3.06Å; C220-T224 PolarHBondContact O-N 3.27Å; C220-T224 PolarHBondContact O-OG1 3.03Å; V221-T224 PolarHBondContact O-N 2.91Å; T224-T226 VanDerWaalsContact C-N 3.29Å; T224-T226 PolarHBondContact O-N 3.16Å; T224-Q227 PolarHBondContact O-N 3.18Å; T224-Y228 HydrophobicContact CG2-CD2 4.02Å; T224-Y228 HydrophobicContact CG2-CE2 3.69Å; T224-Y228 VanDerWaalsContact O-CD2 3.27Å; T224-Y228 WeakPolarHBondContact O-CD2 3.38Å; T224-Y228 PolarHBondContact O-N 3.12Å
225	M	95.2	Very high	90.3	Very high	3 Å²	3	28 Å²	28	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-65.7	-31.8	178.7	-66.1	-61.3	113.4	0	0	113	L62 Y67 F72 F74 V221 L223 Y228 A229	L62-M225 HydrophobicContact CD2-CB 4.22Å; L62-M225 WeakPolarHBondContact CD2-O 3.23Å; L62-M225 HydrophobicContact CD2-SD 4.06Å; Y67-M225 HydrophobicContact CD2-CE 4.19Å; Y67-M225 HydrophobicContact CD2-SD 4.35Å; Y67-M225 HydrophobicContact CE2-CE 3.72Å; Y67-M225 HydrophobicContact CE2-SD 4.42Å; F72-M225 HydrophobicContact CB-CB 4.35Å; F72-M225 HydrophobicContact CD1-CB 3.8Å; F72-M225 HydrophobicContact CD1-CG 3.76Å; F72-M225 HydrophobicContact CD2-CB 4.18Å; F72-M225 HydrophobicContact CD2-CG 3.66Å; F72-M225 HydrophobicContact CD2-SD 3.96Å; F72-M225 HydrophobicContact CE1-CB 4.14Å; F72-M225 HydrophobicContact CE1-CG 3.66Å; F72-M225 HydrophobicContact CE2-CG 3.56Å; F72-M225 HydrophobicContact CE2-SD 3.87Å; F72-M225 HydrophobicContact CG-CB 3.84Å; F72-M225 HydrophobicContact CG-CG 3.78Å; F72-M225 HydrophobicContact CZ-CB 4.49Å; F72-M225 HydrophobicContact CZ-CG 3.56Å; F72-M225 HydrophobicContact CZ-SD 4.4Å; F74-M225 HydrophobicContact CZ-CB 4.12Å; V221-M225 HydrophobicContact CG1-CG 4.41Å; V221-M225 WeakPolarHBondContact O-CG 3.44Å; V221-M225 PolarHBondContact O-N 2.84Å; L223-M225 VanDerWaalsContact C-N 3.31Å; L223-M225 PolarHBondContact O-N 2.84Å; M225-Y228 HydrophobicContact CE-CD2 3.65Å; M225-Y228 HydrophobicContact CE-CE2 3.8Å; M225-Y228 HydrophobicContact SD-CD2 4.27Å; M225-A229 PolarHBondContact O-N 2.58Å
226	T	94.6	Very high	91.1	Very high	16 Å²	16	23.6 Å²	23.6	10%	0.098	12%	0.121	C	C	.	.	H	α-helix	trans	-68.3	-43.8	173.4	-54.3	0	0	0	0	111.1	F74 F191 R222 L223 T224 Y228 A229 E230	F74-T226 HydrophobicContact CE1-CG2 4.27Å; F74-T226 VanDerWaalsContact CE1-OG1 3.32Å; F74-T226 WeakPolarHBondContact CE1-OG1 3.31Å; F191-T226 WeakPolarHBondContact CE1-OG1 3.32Å; F191-T226 HydrophobicContact CE2-CG2 4.29Å; F191-T226 HydrophobicContact CZ-CG2 3.63Å; F191-T226 WeakPolarHBondContact CZ-OG1 3.32Å; R222-T226 WeakPolarHBondContact O-CB 3.44Å; R222-T226 PolarHBondContact O-N 3.1Å; R222-T226 PolarHBondContact O-OG1 3.14Å; L223-T226 WeakPolarHBondContact O-CA 3.43Å; L223-T226 WeakPolarHBondContact O-CB 3.37Å; L223-T226 PolarHBondContact O-N 3.15Å; T224-T226 VanDerWaalsContact C-N 3.29Å; T224-T226 PolarHBondContact O-N 3.16Å; T226-Y228 VanDerWaalsContact C-N 3.29Å; T226-Y228 PolarHBondContact O-N 2.83Å; T226-A229 WeakPolarHBondContact O-CB 3.34Å; T226-A229 PolarHBondContact O-N 2.87Å; T226-E230 HydrophobicContact CG2-CG 4.34Å; T226-E230 WeakPolarHBondContact O-CG 3.26Å; T226-E230 PolarHBondContact O-N 2.8Å
227	Q	95.3	Very high	91.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.7	-42.7	176	-53.6	-177.6	61.2	0	0	111.1	S5 C6 V7 S179 S181 F182 L223 T224 A229 E230 H231	S5-Q227 PolarHBondContact O-NE2 2.96Å; C6-Q227 VanDerWaalsContact CA-OE1 3.29Å; V7-Q227 HydrophobicContact CB-CB 3.8Å; V7-Q227 HydrophobicContact CG2-CB 3.77Å; S179-Q227 VanDerWaalsContact OG-CG 3.25Å; S179-Q227 WeakPolarHBondContact OG-CG 3.18Å; S179-Q227 PolarHBondContact OG-OE1 2.98Å; S181-Q227 WeakPolarHBondContact OG-CG 3.48Å; F182-Q227 HydrophobicContact CB-CG 4.49Å; L223-Q227 HydrophobicContact CD1-CG 4.15Å; L223-Q227 WeakPolarHBondContact O-CG 3.26Å; L223-Q227 PolarHBondContact O-N 3.1Å; T224-Q227 PolarHBondContact O-N 3.18Å; Q227-A229 PolarHBondContact O-N 3.28Å; Q227-E230 PolarHBondContact O-N 2.96Å; Q227-H231 PolarHBondContact O-CD2 3.21Å; Q227-H231 VanDerWaalsContact O-CD2 3.25Å; Q227-H231 PolarHBondContact O-N 3.22Å; Q227-H231 VanDerWaalsContact O-N 3.1Å
228	Y	96.8	Very high	92.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.2	-49.1	171.5	-81.7	-58.6	0	0	0	112.2	V7 I42 I123 L137 E139 T224 M225 T226 E230 H231 I232	V7-Y228 HydrophobicContact CG1-CD1 3.92Å; V7-Y228 HydrophobicContact CG1-CE1 3.8Å; V7-Y228 HydrophobicContact CG2-CD1 4.35Å; V7-Y228 HydrophobicContact CG2-CD2 4.26Å; V7-Y228 HydrophobicContact CG2-CE1 4.17Å; V7-Y228 HydrophobicContact CG2-CE2 4.1Å; V7-Y228 HydrophobicContact CG2-CG 4.37Å; I42-Y228 HydrophobicContact CD1-CD1 3.65Å; I42-Y228 HydrophobicContact CD1-CD2 3.99Å; I42-Y228 HydrophobicContact CD1-CE1 3.43Å; I42-Y228 VanDerWaalsContact CD1-CE1 3.43Å; I42-Y228 HydrophobicContact CD1-CE2 3.77Å; I42-Y228 HydrophobicContact CD1-CG 3.94Å; I42-Y228 VanDerWaalsContact CD1-CZ 3.49Å; I123-Y228 HydrophobicContact CD1-CE1 3.58Å; I123-Y228 WeakPolarHBondContact CD1-OH 3.2Å; L137-Y228 HydrophobicContact CD1-CD1 3.54Å; L137-Y228 HydrophobicContact CD1-CE1 3.81Å; E139-Y228 WeakPolarHBondContact CB-OH 3.34Å; E139-Y228 PolarHBondContact OE2-OH 2.83Å; T224-Y228 HydrophobicContact CG2-CD2 4.02Å; T224-Y228 HydrophobicContact CG2-CE2 3.69Å; T224-Y228 VanDerWaalsContact O-CD2 3.27Å; T224-Y228 WeakPolarHBondContact O-CD2 3.38Å; T224-Y228 PolarHBondContact O-N 3.12Å; M225-Y228 HydrophobicContact CE-CD2 3.65Å; M225-Y228 HydrophobicContact CE-CE2 3.8Å; M225-Y228 HydrophobicContact SD-CD2 4.27Å; T226-Y228 VanDerWaalsContact C-N 3.29Å; T226-Y228 PolarHBondContact O-N 2.83Å; Y228-E230 VanDerWaalsContact C-N 3.35Å; Y228-E230 PolarHBondContact O-N 2.75Å; Y228-H231 PolarHBondContact O-N 2.85Å; Y228-I232 VanDerWaalsContact O-CB 3.31Å; Y228-I232 WeakPolarHBondContact O-CB 3.16Å; Y228-I232 WeakPolarHBondContact O-CD1 3.01Å; Y228-I232 WeakPolarHBondContact O-CG1 3.16Å; Y228-I232 PolarHBondContact O-N 3.44Å
229	A	95.7	Very high	92.2	Very high	3 Å²	3	27 Å²	27	3%	0.025	13%	0.132	C	C	.	.	H	α-helix	trans	-61.2	-42.5	-179.7	0	0	0	0	0	112.3	F74 M225 T226 Q227 N233	F74-A229 HydrophobicContact CD1-CB 4.44Å; F74-A229 HydrophobicContact CD2-CB 3.61Å; F74-A229 HydrophobicContact CE1-CB 4.48Å; F74-A229 HydrophobicContact CE2-CB 3.66Å; F74-A229 HydrophobicContact CG-CB 4.02Å; F74-A229 HydrophobicContact CZ-CB 4.11Å; M225-A229 PolarHBondContact O-N 2.58Å; T226-A229 WeakPolarHBondContact O-CB 3.34Å; T226-A229 PolarHBondContact O-N 2.87Å; Q227-A229 PolarHBondContact O-N 3.28Å; A229-N233 WeakPolarHBondContact O-CB 3.32Å; A229-N233 PolarHBondContact O-N 3.06Å; A229-N233 PolarHBondContact O-ND2 2.53Å
230	E	94	Very high	91.8	Very high	53 Å²	53	32.5 Å²	32.5	25%	0.248	15%	0.15	C	C	.	.	H	α-helix	trans	-58.6	-53.5	177.1	-73.9	176.3	160.7	0	0	111.8	S179 S181 T226 Q227 Y228 N233 V234	S179-E230 VanDerWaalsContact CB-OE2 3.25Å; S179-E230 WeakPolarHBondContact CB-OE2 3.48Å; S179-E230 PolarHBondContact OG-OE2 3.39Å; S181-E230 VanDerWaalsContact CB-OE1 3.26Å; S181-E230 WeakPolarHBondContact CB-OE1 3.35Å; S181-E230 WeakPolarHBondContact CB-OE2 3.46Å; S181-E230 PolarHBondContact N-OE1 2.83Å; S181-E230 PolarHBondContact N-OE2 3.03Å; S181-E230 PolarHBondContact OG-OE1 3.29Å; S181-E230 PolarHBondContact OG-OE2 3.22Å; T226-E230 HydrophobicContact CG2-CG 4.34Å; T226-E230 WeakPolarHBondContact O-CG 3.26Å; T226-E230 PolarHBondContact O-N 2.8Å; Q227-E230 PolarHBondContact O-N 2.96Å; Y228-E230 VanDerWaalsContact C-N 3.35Å; Y228-E230 PolarHBondContact O-N 2.75Å; E230-N233 CarbonylContact O-C 3.5Å; E230-N233 WeakPolarHBondContact O-CA 3.29Å; E230-N233 WeakPolarHBondContact O-CB 3.4Å; E230-N233 PolarHBondContact O-N 2.99Å; E230-N233 VanDerWaalsContact O-N 3.1Å; E230-V234 WeakPolarHBondContact O-CG2 3.3Å; E230-V234 PolarHBondContact O-N 2.58Å
231	H	94	Very high	90.6	Very high	17 Å²	17	38.8 Å²	38.8	8%	0.079	18%	0.179	C	C	.	.	H	α-helix	trans	-66.9	-39	-178.8	-70.3	-48.4	0	0	0	112.5	V7 L9 L137 Q227 Y228 N233 V234 V235	V7-H231 PolarHBondContact O-CD2 2.67Å; V7-H231 PolarHBondContact O-NE2 2.99Å; L9-H231 HydrophobicContact CB-CB 4.21Å; L9-H231 WeakPolarHBondContact CB-ND1 3.49Å; L137-H231 HydrophobicContact CD2-CB 3.61Å; Q227-H231 PolarHBondContact O-CD2 3.21Å; Q227-H231 VanDerWaalsContact O-CD2 3.25Å; Q227-H231 PolarHBondContact O-N 3.22Å; Q227-H231 VanDerWaalsContact O-N 3.1Å; Y228-H231 PolarHBondContact O-N 2.85Å; H231-N233 PolarHBondContact O-N 2.79Å; H231-V234 WeakPolarHBondContact O-CB 3.38Å; H231-V234 PolarHBondContact O-N 3.02Å; H231-V234 VanDerWaalsContact O-N 3.1Å; H231-V235 WeakPolarHBondContact O-CG2 3.4Å; H231-V235 PolarHBondContact O-N 3.46Å
232	I	94.6	Very high	88.9	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.8	-38.8	172.3	-70.4	170.4	0	0	0	110.5	I42 L62 V106 Y228 V235 R236	I42-I232 HydrophobicContact CG2-CD1 4.4Å; L62-I232 HydrophobicContact CD1-CD1 3.86Å; V106-I232 HydrophobicContact CB-CG2 3.93Å; V106-I232 HydrophobicContact CG1-CD1 4.22Å; V106-I232 HydrophobicContact CG1-CG1 4.25Å; V106-I232 HydrophobicContact CG1-CG2 3.96Å; V106-I232 HydrophobicContact CG2-CG2 3.69Å; Y228-I232 VanDerWaalsContact O-CB 3.31Å; Y228-I232 WeakPolarHBondContact O-CB 3.16Å; Y228-I232 WeakPolarHBondContact O-CD1 3.01Å; Y228-I232 WeakPolarHBondContact O-CG1 3.16Å; Y228-I232 PolarHBondContact O-N 3.44Å; I232-V235 PolarHBondContact O-N 3.39Å; I232-R236 VanDerWaalsContact CG2-CZ 3.42Å; I232-R236 WeakPolarHBondContact O-CG 3.28Å; I232-R236 PolarHBondContact O-N 3.23Å
233	N	93.2	Very high	87.1	Confident	58 Å²	58	46.2 Å²	46.2	31%	0.31	23%	0.23	S	C	.	.	H	α-helix	trans	-70.3	-29.3	175.8	-73.1	-32.7	0	0	0	113.1	Q60 A229 E230 H231 R236 R237	Q60-N233 PolarHBondContact OE1-ND2 3.12Å; Q60-N233 PolarHBondContact OE1-OD1 2.87Å; A229-N233 WeakPolarHBondContact O-CB 3.32Å; A229-N233 PolarHBondContact O-N 3.06Å; A229-N233 PolarHBondContact O-ND2 2.53Å; E230-N233 CarbonylContact O-C 3.5Å; E230-N233 WeakPolarHBondContact O-CA 3.29Å; E230-N233 WeakPolarHBondContact O-CB 3.4Å; E230-N233 PolarHBondContact O-N 2.99Å; E230-N233 VanDerWaalsContact O-N 3.1Å; H231-N233 PolarHBondContact O-N 2.79Å; N233-R236 PolarHBondContact OD1-NH1 2.8Å; N233-R237 WeakPolarHBondContact O-CG 3.43Å; N233-R237 PolarHBondContact O-N 3.17Å; N233-R237 PolarHBondContact O-NE 3.17Å; N233-R237 VanDerWaalsContact O-NE 3.16Å
234	V	92.1	Very high	84.5	Confident	36 Å²	36	52.6 Å²	52.6	22%	0.218	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-52.1	167.4	176.8	0	0	0	0	110	L9 E230 H231 R236 R237 L238	L9-V234 HydrophobicContact CD2-CB 3.85Å; L9-V234 HydrophobicContact CD2-CG1 3.56Å; E230-V234 WeakPolarHBondContact O-CG2 3.3Å; E230-V234 PolarHBondContact O-N 2.58Å; H231-V234 WeakPolarHBondContact O-CB 3.38Å; H231-V234 PolarHBondContact O-N 3.02Å; H231-V234 VanDerWaalsContact O-N 3.1Å; V234-R236 VanDerWaalsContact C-N 3.3Å; V234-R236 PolarHBondContact O-N 2.84Å; V234-R237 VanDerWaalsContact CG2-NH2 3.28Å; V234-R237 WeakPolarHBondContact O-CA 3.4Å; V234-R237 WeakPolarHBondContact O-CB 3.32Å; V234-R237 PolarHBondContact O-N 2.91Å; V234-L238 HydrophobicContact CG1-CD1 3.92Å; V234-L238 HydrophobicContact CG1-CG 4.28Å; V234-L238 WeakPolarHBondContact O-CG 3.32Å; V234-L238 PolarHBondContact O-N 3.14Å
235	V	91.2	Very high	81.5	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-59.3	-39.9	-179.6	174.7	0	0	0	0	112.2	L9 I125 M127 K134 H231 I232 R237 L238 S239	L9-V235 HydrophobicContact CD1-CG2 3.66Å; L9-V235 HydrophobicContact CD2-CG2 4.36Å; I125-V235 HydrophobicContact CD1-CG2 3.83Å; I125-V235 HydrophobicContact CG2-CG1 4.1Å; M127-V235 HydrophobicContact SD-CG1 4.07Å; K134-V235 HydrophobicContact CB-CG1 3.59Å; H231-V235 WeakPolarHBondContact O-CG2 3.4Å; H231-V235 PolarHBondContact O-N 3.46Å; I232-V235 PolarHBondContact O-N 3.39Å; V235-R237 VanDerWaalsContact C-N 3.32Å; V235-R237 PolarHBondContact O-N 2.89Å; V235-L238 PolarHBondContact O-N 3.49Å; V235-S239 WeakPolarHBondContact O-CB 3.44Å; V235-S239 PolarHBondContact O-N 3.3Å; V235-S239 PolarHBondContact O-OG 2.78Å
236	R	91.5	Very high	78.5	Confident	10 Å²	10	62.7 Å²	62.7	4%	0.038	33%	0.328	C	S	.	.	H	α-helix	trans	-60.8	-38	173.5	-75.9	176.1	-179.5	130.8	5.8	113	S44 L104 V106 M127 I232 N233 V234 R240	S44-R236 PolarHBondContact O-NH2 3.01Å; S44-R236 PolarHBondContact OG-NH2 3.47Å; L104-R236 PolarHBondContact O-NE 2.81Å; L104-R236 PolarHBondContact O-NH2 2.9Å; V106-R236 HydrophobicContact CG2-CG 4.35Å; M127-R236 HydrophobicContact CE-CB 4.27Å; M127-R236 HydrophobicContact CE-CG 3.75Å; M127-R236 HydrophobicContact SD-CG 4.32Å; I232-R236 VanDerWaalsContact CG2-CZ 3.42Å; I232-R236 WeakPolarHBondContact O-CG 3.28Å; I232-R236 PolarHBondContact O-N 3.23Å; N233-R236 PolarHBondContact OD1-NH1 2.8Å; V234-R236 VanDerWaalsContact C-N 3.3Å; V234-R236 PolarHBondContact O-N 2.84Å; R236-R240 WeakPolarHBondContact O-CG 3.21Å
237	R	90.3	Very high	75.7	Confident	156 Å²	156	67.3 Å²	67.3	59%	0.589	36%	0.36	S	S	*	.	H	α-helix	trans	-70.9	-47.5	178.8	-76.4	179.7	-74.6	160.6	-7.7	111.1	N233 V234 V235 S239 R240	N233-R237 WeakPolarHBondContact O-CG 3.43Å; N233-R237 PolarHBondContact O-N 3.17Å; N233-R237 PolarHBondContact O-NE 3.17Å; N233-R237 VanDerWaalsContact O-NE 3.16Å; V234-R237 VanDerWaalsContact CG2-NH2 3.28Å; V234-R237 WeakPolarHBondContact O-CA 3.4Å; V234-R237 WeakPolarHBondContact O-CB 3.32Å; V234-R237 PolarHBondContact O-N 2.91Å; V235-R237 VanDerWaalsContact C-N 3.32Å; V235-R237 PolarHBondContact O-N 2.89Å; R237-S239 VanDerWaalsContact C-N 3.3Å; R237-S239 PolarHBondContact O-N 3.23Å; R237-R240 PolarHBondContact O-N 3.41Å; R237-R240 VanDerWaalsContact O-N 3.11Å
238	L	87	Confident	72.8	Confident	78 Å²	78	73.8 Å²	73.8	41%	0.408	40%	0.4	S	S	.	.	H	α-helix	trans	-60	-40.5	178.1	-65.2	176.3	0	0	0	111.7	V234 V235 R240 Q241	V234-L238 HydrophobicContact CG1-CD1 3.92Å; V234-L238 HydrophobicContact CG1-CG 4.28Å; V234-L238 WeakPolarHBondContact O-CG 3.32Å; V234-L238 PolarHBondContact O-N 3.14Å; V235-L238 PolarHBondContact O-N 3.49Å; L238-R240 PolarHBondContact O-N 3.36Å; L238-R240 VanDerWaalsContact O-N 3.15Å; L238-Q241 PolarHBondContact O-N 3.22Å; L238-Q241 VanDerWaalsContact O-N 3.11Å
239	S	83.5	Confident	70	Confident	27 Å²	27	81.5 Å²	81.5	19%	0.189	44%	0.441	C	S	.	.	H	α-helix	trans	-65.9	-15.4	178.2	-62.8	0	0	0	0	114.6	M127 V235 R237 T242	M127-S239 PolarHBondContact SD-OG 3.4Å; V235-S239 WeakPolarHBondContact O-CB 3.44Å; V235-S239 PolarHBondContact O-N 3.3Å; V235-S239 PolarHBondContact O-OG 2.78Å; R237-S239 VanDerWaalsContact C-N 3.3Å; R237-S239 PolarHBondContact O-N 3.23Å; S239-T242 PolarHBondContact O-OG1 2.93Å
240	R	79	Confident	67.2	Low	143 Å²	143	86.1 Å²	86.1	54%	0.54	48%	0.479	S	S	.	.	H	α-helix	trans	-87.4	-26.7	174.2	-68.7	178.5	-176	-159.8	5.5	112.6	R236 R237 L238	R236-R240 WeakPolarHBondContact O-CG 3.21Å; R237-R240 PolarHBondContact O-N 3.41Å; R237-R240 VanDerWaalsContact O-N 3.11Å; L238-R240 PolarHBondContact O-N 3.36Å; L238-R240 VanDerWaalsContact O-N 3.15Å
241	Q	64.3	Low	64.5	Low	136 Å²	136	89.7 Å²	89.7	64%	0.636	51%	0.505	S	S	*	.	H	α-helix	trans	-74.7	-31.5	-176.5	-70.2	177.3	-19.2	0	0	112	L238 V243 N244	L238-Q241 PolarHBondContact O-N 3.22Å; L238-Q241 VanDerWaalsContact O-N 3.11Å; Q241-V243 PolarHBondContact O-N 3.38Å; Q241-V243 VanDerWaalsContact O-N 3.11Å; Q241-N244 PolarHBondContact O-N 3.11Å
242	T	56.8	Low	61.7	Low	108 Å²	108	96.8 Å²	96.8	66%	0.663	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-8.5	179.3	37.7	0	0	0	0	114.9	S239	S239-T242 PolarHBondContact O-OG1 2.93Å
243	V	52.5	Low	58.9	Low	116 Å²	116	100.7 Å²	100.7	70%	0.703	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-10	-179.5	-175.7	0	0	0	0	112.8	Q241	Q241-V243 PolarHBondContact O-N 3.38Å; Q241-V243 VanDerWaalsContact O-N 3.11Å
244	N	38.4	Very low	56.2	Low	134 Å²	134	104 Å²	104	72%	0.717	61%	0.611	S	S	*	*			trans	-111.9	17.5	-169.4	-73	-1.8	0	0	0	115.7	Q241 P246	Q241-N244 PolarHBondContact O-N 3.11Å; N244-P246 WeakPolarHBondContact O-CD 3.46Å
245	T	32.3	Very low	53.7	Low	119 Å²	119	108 Å²	108	73%	0.73	64%	0.641	S	S	*	*			trans	-97.3	109	173.9	-33.3	0	0	0	0	110.2	S247	T245-S247 PolarHBondContact O-N 2.65Å
246	P	32	Very low	51.3	Low	104 Å²	104	112 Å²	112	68%	0.675	67%	0.669	S	S	*	*			trans	-72.4	115.3	171.4	28.5	-29.2	0	0	0	108.7	N244 T248	N244-P246 WeakPolarHBondContact O-CD 3.46Å; P246-T248 PolarHBondContact O-N 3.03Å
247	S	34.7	Very low	48.8	Very low	112 Å²	112	122.2 Å²	122.2	78%	0.783	71%	0.709	S	S	*	*			trans	-63.7	101.7	169	42	0	0	0	0	109.7	T245	T245-S247 PolarHBondContact O-N 2.65Å
248	T	34.2	Very low	46.4	Very low	137 Å²	137	119.5 Å²	119.5	84%	0.84	72%	0.72	S	S	*	*			trans	-102	86.6	160.5	37.2	0	0	0	0	107.4	P246	P246-T248 PolarHBondContact O-N 3.03Å
249	L	37.9	Very low	44.4	Very low	161 Å²	161	122.2 Å²	122.2	84%	0.843	74%	0.74	S	S	*	*			trans	-99.6	111.6	165.4	-99	152	0	0	0	107.5	T251	L249-T251 PolarHBondContact O-N 3.22Å
250	A	37	Very low	42.6	Very low	100 Å²	100	126.1 Å²	126.1	83%	0.826	77%	0.765	S	S	*	*			trans	-62.4	122.3	173.3	0	0	0	0	0	110.2
251	T	38.1	Very low	40.8	Very low	129 Å²	129	124.3 Å²	124.3	79%	0.791	77%	0.774	S	S	*	*			trans	-82.9	120	160.8	34.7	0	0	0	0	108.7	L249	L249-T251 PolarHBondContact O-N 3.22Å
252	N	35	Very low	39.6	Very low	166 Å²	166	124.6 Å²	124.6	89%	0.888	78%	0.78	S	S	*	*			trans	-157.6	94.4	148.1	-96.8	-17.8	0	0	0	108.3
253	G	36.6	Very low	39	Very low	81 Å²	81	126.2 Å²	126.2	84%	0.835	78%	0.783	S	S	*	*			trans	-84.9	126.7	169.2	0	0	0	0	0	110
254	S	35.9	Very low	38.4	Very low	128 Å²	128	126.3 Å²	126.3	90%	0.895	79%	0.786	S	S	*	*			trans	-65	132.6	173.1	-36.1	0	0	0	0	111
255	S	40.7	Very low	38.9	Very low	121 Å²	121	125 Å²	125	85%	0.846	79%	0.787	S	S	*	*			trans	-140.6	124	157.6	-177.7	0	0	0	0	109.4
256	S	39	Very low	39.4	Very low	87 Å²	87	126.2 Å²	126.2	61%	0.608	79%	0.789	S	S	*	*			trans	-81.3	149.9	-177.1	35.4	0	0	0	0	113.1
257	Y	39.8	Very low	40.2	Very low	223 Å²	223	129.1 Å²	129.1	88%	0.875	79%	0.794	S	S	*	*			trans	141.2	135.3	131.9	-79.6	-74.7	0	0	0	114.9
258	A	40.6	Very low	40.6	Very low	100 Å²	100	128.2 Å²	128.2	83%	0.826	79%	0.793	S	S	*	*			trans	88.6	104.8	156.5	0	0	0	0	0	120.4
259	T	45	Very low	41.2	Very low	135 Å²	135	129.8 Å²	129.8	83%	0.828	80%	0.796	S	S	*	*			trans	-77	-175.9	162.3	20.7	0	0	0	0	112.4
260	P	44.7	Very low	41.6	Very low	109 Å²	109	130.6 Å²	130.6	71%	0.708	79%	0.793	S	S	*	*			cis	-137.8	177	-49	38	-20.9	0	0	0	112.6
261	S	41.4	Very low	42	Very low	104 Å²	104	132.4 Å²	132.4	73%	0.727	79%	0.789	S	S	*	*				152.4	140.6	124.8	57	0	0	0	0	115.9
262	N	40.1	Very low	42.6	Very low	143 Å²	143	133.1 Å²	133.1	77%	0.765	79%	0.786	S	S	*	*			trans	72.2	139.8	157.4	-67.9	-13.9	0	0	0	120.4
263	I	42.5	Very low	43.2	Very low	141 Å²	141	130.7 Å²	130.7	72%	0.723	78%	0.78	S	S	*	*			cis	-167.8	149.8	-5.7	-95.4	156.8	0	0	0	104.8
264	P	41.6	Very low	43.9	Very low	119 Å²	119	131.7 Å²	131.7	77%	0.773	77%	0.774	S	S	*	*			trans	-109.8	164.1	-177.4	38.9	-29.7	0	0	0	115
265	S	48.3	Very low	44.2	Very low	106 Å²	106	131.8 Å²	131.8	74%	0.741	76%	0.764	S	S	*	*			trans	-161.5	125.6	160.6	59.1	0	0	0	0	114.4
266	N	43.5	Very low	44.6	Very low	144 Å²	144	136.5 Å²	136.5	77%	0.77	77%	0.765	S	S	*	*			trans	53.2	148.2	136.7	-70.5	-12.7	0	0	0	120.8
267	Q	46.8	Very low	45	Very low	166 Å²	166	137.6 Å²	137.6	78%	0.776	77%	0.772	S	S	*	*			cis	-168.8	129.4	9.1	-113	166.2	5.3	0	0	106.4
268	A	44.2	Very low	46.1	Very low	93 Å²	93	137.3 Å²	137.3	77%	0.769	79%	0.794	S	S	*	*				47	116.2	111.6	0	0	0	0	0	119
269	N	45.9	Very low	46.4	Very low	170 Å²	170	139.2 Å²	139.2	91%	0.909	79%	0.793	S	S	*	*				-160.8	150.9	127	-126.3	-16.3	0	0	0	114.3
270	K	46.8	Very low	46.4	Very low	178 Å²	178	139.4 Å²	139.4	77%	0.774	79%	0.791	S	S	*	*			trans	-98.7	174.6	-161.8	-68.1	169.7	160.7	171	0	114.6
271	N	45.4	Very low	46.5	Very low	138 Å²	138	141.1 Å²	141.1	74%	0.738	80%	0.796	S	S	*	*			trans	100.6	142.1	148.2	-62.4	-20.6	0	0	0	116.5
272	I	50.4	Low	46.8	Very low	143 Å²	143	143.3 Å²	143.3	73%	0.733	80%	0.8	S	S	*	*			cis	-169.1	150.6	-7.5	-97.1	159.3	0	0	0	104
273	P	48.6	Very low	47.3	Very low	116 Å²	116	143.3 Å²	143.3	75%	0.753	80%	0.802	S	S	*	*			trans	-104.7	161.7	179.6	38.6	-31	0	0	0	114.1
274	S	50.1	Low	47.6	Very low	102 Å²	102	143.5 Å²	143.5	71%	0.713	81%	0.807	S	S	*	*			trans	174.4	132.3	139.1	57.7	0	0	0	0	114.1
275	N	43.6	Very low	48	Very low	130 Å²	130	145.2 Å²	145.2	70%	0.695	81%	0.81	S	S	*	*			trans	53.1	126.5	139.3	-54.3	-12.8	0	0	0	121.5
276	Y	47.4	Very low	48	Very low	220 Å²	220	148.2 Å²	148.2	86%	0.863	82%	0.815	S	S	*	*				175.4	149.7	91.4	-103.5	-81.9	0	0	0	111.2
277	S	48.2	Very low	48.4	Very low	109 Å²	109	148.6 Å²	148.6	76%	0.762	82%	0.819	S	S	*	*			trans	-68.6	156.4	-174.6	-45.5	0	0	0	0	116.1
278	T	62.8	Low	48.5	Very low	218 Å²	218	147 Å²	147	100%	1.337	82%	0.822	S	S	*	*			trans	-141.3	0	132.3	37.4	0	0	0	0	108.2

Retrieved 278 of 278 residues in 51.3 ms (Link to these results)

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