A0A077Z358_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z358, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 427 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	28.9	Very low	38.4	Very low	123 Å²	123	78.4 Å²	78.4	61%	0.606	42%	0.419	S	S	*	.				0	-58	0	-103	-82.2	-63.8	0	0	110.1	A3 L4 K5	M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.07Å; M1-L4 PolarHBondContact O-N 3.43Å; M1-K5 PolarHBondContact O-N 3.44Å
2	D	37.7	Very low	39.1	Very low	115 Å²	115	83.5 Å²	83.5	62%	0.615	43%	0.428	S	S	*	.	H	α-helix	trans	-58.7	-44.2	175.9	-61.5	-33.8	0	0	0	111.8	L4 K5 D6	D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 2.94Å; D2-L4 VanDerWaalsContact O-N 3.16Å; D2-K5 PolarHBondContact O-N 3.34Å; D2-K5 VanDerWaalsContact O-N 3.08Å; D2-D6 WeakPolarHBondContact O-CB 3.49Å; D2-D6 PolarHBondContact O-N 2.89Å
3	A	35.7	Very low	39.9	Very low	57 Å²	57	83.4 Å²	83.4	47%	0.471	45%	0.448	S	S	.	.	H	α-helix	trans	-52.5	-40.8	175.3	0	0	0	0	0	114.7	M1 L7	M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.07Å; A3-L7 VanDerWaalsContact O-CB 3.28Å; A3-L7 WeakPolarHBondContact O-CB 3.44Å; A3-L7 PolarHBondContact O-N 3.33Å
4	L	34	Very low	40	Very low	46 Å²	46	81.5 Å²	81.5	24%	0.241	44%	0.437	C	S	.	.	H	α-helix	trans	-73.3	-40.6	-179.9	-155.6	97.1	0	0	0	111.3	M1 D2 D6 L7 I8 E138 I141	M1-L4 PolarHBondContact O-N 3.43Å; D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 2.94Å; D2-L4 VanDerWaalsContact O-N 3.16Å; L4-D6 VanDerWaalsContact C-N 3.33Å; L4-L7 PolarHBondContact O-N 3.4Å; L4-I8 HydrophobicContact CD2-CD1 4.46Å; L4-I8 WeakPolarHBondContact O-CG1 3.29Å; L4-I8 PolarHBondContact O-N 2.91Å; L4-E138 HydrophobicContact CD2-CG 4.31Å; L4-I141 HydrophobicContact CD1-CG2 3.99Å
5	K	38.8	Very low	40.3	Very low	109 Å²	109	80.9 Å²	80.9	47%	0.474	44%	0.439	S	S	.	.	H	α-helix	trans	-65	-39.6	174.9	-74.8	-177.8	177.6	177.8	0	111.4	M1 D2 L7 I8 K9	M1-K5 PolarHBondContact O-N 3.44Å; D2-K5 PolarHBondContact O-N 3.34Å; D2-K5 VanDerWaalsContact O-N 3.08Å; K5-L7 VanDerWaalsContact C-N 3.33Å; K5-I8 PolarHBondContact O-N 2.96Å; K5-K9 WeakPolarHBondContact O-CB 3.41Å; K5-K9 WeakPolarHBondContact O-CG 3.32Å; K5-K9 PolarHBondContact O-N 3.29Å
6	D	41.4	Very low	40.6	Very low	84 Å²	84	79.4 Å²	79.4	45%	0.449	43%	0.433	S	S	.	.	H	α-helix	trans	-69	-34.9	178	-67.3	-25.3	0	0	0	111	D2 L4 K9 A10	D2-D6 WeakPolarHBondContact O-CB 3.49Å; D2-D6 PolarHBondContact O-N 2.89Å; L4-D6 VanDerWaalsContact C-N 3.33Å; D6-K9 PolarHBondContact O-N 3Å; D6-A10 WeakPolarHBondContact O-CB 3.35Å; D6-A10 PolarHBondContact O-N 2.82Å
7	L	37.3	Very low	40.8	Very low	75 Å²	75	83.1 Å²	83.1	39%	0.393	45%	0.447	S	S	.	.	H	α-helix	trans	-69.4	-42.2	173.4	-158.1	145.2	0	0	0	111.8	A3 L4 K5 K9 A10 H11	A3-L7 VanDerWaalsContact O-CB 3.28Å; A3-L7 WeakPolarHBondContact O-CB 3.44Å; A3-L7 PolarHBondContact O-N 3.33Å; L4-L7 PolarHBondContact O-N 3.4Å; K5-L7 VanDerWaalsContact C-N 3.33Å; L7-K9 VanDerWaalsContact C-N 3.31Å; L7-K9 PolarHBondContact O-N 3.25Å; L7-A10 PolarHBondContact O-N 2.95Å; L7-H11 VanDerWaalsContact O-CB 3.32Å; L7-H11 WeakPolarHBondContact O-CB 3.45Å; L7-H11 PolarHBondContact O-N 3.43Å
8	I	40.1	Very low	40.9	Very low	33 Å²	33	80.9 Å²	80.9	17%	0.169	44%	0.439	C	S	.	.	H	α-helix	trans	-60.8	-42.2	172	-69.1	166.8	0	0	0	110.4	L4 K5 R12 F134	L4-I8 HydrophobicContact CD2-CD1 4.46Å; L4-I8 WeakPolarHBondContact O-CG1 3.29Å; L4-I8 PolarHBondContact O-N 2.91Å; K5-I8 PolarHBondContact O-N 2.96Å; I8-R12 HydrophobicContact CG2-CG 4.41Å; I8-R12 VanDerWaalsContact O-CB 3.27Å; I8-R12 WeakPolarHBondContact O-CB 3.5Å; I8-R12 WeakPolarHBondContact O-CG 3.47Å; I8-R12 PolarHBondContact O-N 2.96Å; I8-F134 HydrophobicContact CD1-CD1 4.31Å; I8-F134 HydrophobicContact CG1-CD1 4.05Å; I8-F134 HydrophobicContact CG1-CE1 3.92Å
9	K	44.4	Very low	40.9	Very low	138 Å²	138	80.3 Å²	80.3	60%	0.6	43%	0.43	S	S	*	.	H	α-helix	trans	-64.2	-45.6	174.9	-79.3	176.6	-179.9	174.3	0	111.9	K5 D6 L7 H11 R12 A13	K5-K9 WeakPolarHBondContact O-CB 3.41Å; K5-K9 WeakPolarHBondContact O-CG 3.32Å; K5-K9 PolarHBondContact O-N 3.29Å; D6-K9 PolarHBondContact O-N 3Å; L7-K9 VanDerWaalsContact C-N 3.31Å; L7-K9 PolarHBondContact O-N 3.25Å; K9-H11 VanDerWaalsContact C-N 3.34Å; K9-H11 PolarHBondContact O-N 3.34Å; K9-R12 CarbonylContact O-C 3.52Å; K9-R12 PolarHBondContact O-N 3.24Å; K9-A13 VanDerWaalsContact O-CB 3.24Å; K9-A13 WeakPolarHBondContact O-CB 3.14Å; K9-A13 PolarHBondContact O-N 2.98Å
10	A	43	Very low	41	Very low	59 Å²	59	80 Å²	80	49%	0.488	42%	0.422	S	S	.	.	H	α-helix	trans	-62.2	-43.6	178.9	0	0	0	0	0	110.8	D6 L7 A13 L14	D6-A10 WeakPolarHBondContact O-CB 3.35Å; D6-A10 PolarHBondContact O-N 2.82Å; L7-A10 PolarHBondContact O-N 2.95Å; A10-A13 WeakPolarHBondContact O-CB 3.43Å; A10-A13 PolarHBondContact O-N 3.31Å; A10-L14 PolarHBondContact O-N 3.45Å
11	H	41.2	Very low	41.1	Very low	23 Å²	23	81.1 Å²	81.1	11%	0.106	43%	0.428	C	S	.	.	H	α-helix	trans	-65.1	-44.3	175.6	-166.9	67.6	0	0	0	111.8	L7 K9 A13 L14 R19	L7-H11 VanDerWaalsContact O-CB 3.32Å; L7-H11 WeakPolarHBondContact O-CB 3.45Å; L7-H11 PolarHBondContact O-N 3.43Å; K9-H11 VanDerWaalsContact C-N 3.34Å; K9-H11 PolarHBondContact O-N 3.34Å; H11-A13 PolarHBondContact O-N 3.47Å; H11-L14 VanDerWaalsContact O-CB 3.32Å; H11-L14 WeakPolarHBondContact O-CB 3.48Å; H11-L14 PolarHBondContact O-N 3.33Å; H11-L14 VanDerWaalsContact O-N 3.14Å; H11-R19 WeakPolarHBondContact O-CD 3.27Å
12	R	46.7	Very low	41.7	Very low	140 Å²	140	78.3 Å²	78.3	53%	0.528	41%	0.413	S	S	.	.	H	α-helix	trans	-65.9	-24.1	174.7	-74.3	176.5	177.8	-166.8	-6.4	113.3	I8 K9 L14 E131	I8-R12 HydrophobicContact CG2-CG 4.41Å; I8-R12 VanDerWaalsContact O-CB 3.27Å; I8-R12 WeakPolarHBondContact O-CB 3.5Å; I8-R12 WeakPolarHBondContact O-CG 3.47Å; I8-R12 PolarHBondContact O-N 2.96Å; K9-R12 CarbonylContact O-C 3.52Å; K9-R12 PolarHBondContact O-N 3.24Å; R12-L14 VanDerWaalsContact C-N 3.32Å; R12-E131 IonicContact NH2-OE2 3.59Å; R12-E131 PolarHBondContact NH2-OE2 3.36Å
13	A	49.1	Very low	41.9	Very low	82 Å²	82	73.7 Å²	73.7	68%	0.678	39%	0.391	S	S	*	.	H	α-helix	trans	-79.9	-12.7	175.5	0	0	0	0	0	113.1	K9 A10 H11	K9-A13 VanDerWaalsContact O-CB 3.24Å; K9-A13 WeakPolarHBondContact O-CB 3.14Å; K9-A13 PolarHBondContact O-N 2.98Å; A10-A13 WeakPolarHBondContact O-CB 3.43Å; A10-A13 PolarHBondContact O-N 3.31Å; H11-A13 PolarHBondContact O-N 3.47Å
14	L	42.2	Very low	42	Very low	57 Å²	57	73.9 Å²	73.9	30%	0.298	39%	0.389	S	S	.	.	S	Bend	trans	-65.2	143.4	175	-68.9	171	0	0	0	110.9	A10 H11 R12 R19	A10-L14 PolarHBondContact O-N 3.45Å; H11-L14 VanDerWaalsContact O-CB 3.32Å; H11-L14 WeakPolarHBondContact O-CB 3.48Å; H11-L14 PolarHBondContact O-N 3.33Å; H11-L14 VanDerWaalsContact O-N 3.14Å; R12-L14 VanDerWaalsContact C-N 3.32Å; L14-R19 HydrophobicContact CB-CG 3.82Å; L14-R19 PolarHBondContact O-NE 2.97Å; L14-R19 VanDerWaalsContact O-NE 3.13Å
15	P	44.1	Very low	42.3	Very low	73 Å²	73	79.3 Å²	79.3	47%	0.474	41%	0.406	S	S	.	.			trans	-50.5	148.8	170.3	-24.9	33.1	0	0	0	111.6	E17 S18 R19	P15-E17 VanDerWaalsContact C-N 3.26Å; P15-E17 PolarHBondContact O-N 2.7Å; P15-S18 WeakPolarHBondContact O-CA 3.41Å; P15-S18 WeakPolarHBondContact O-CB 3.47Å; P15-S18 PolarHBondContact O-N 3.1Å; P15-R19 PolarHBondContact O-N 3.41Å
16	V	44.6	Very low	42.4	Very low	56 Å²	56	77.4 Å²	77.4	34%	0.339	40%	0.396	S	S	.	.	H	α-helix	trans	-57.6	-40.1	-178	175.3	0	0	0	0	111	S18 R19 R20	V16-S18 VanDerWaalsContact C-N 3.32Å; V16-S18 PolarHBondContact O-N 2.93Å; V16-R19 PolarHBondContact O-N 2.85Å; V16-R20 WeakPolarHBondContact O-CB 3.28Å; V16-R20 WeakPolarHBondContact O-CG 3.1Å; V16-R20 PolarHBondContact O-N 3.19Å
17	E	43.9	Very low	42.2	Very low	142 Å²	142	76 Å²	76	66%	0.664	40%	0.397	S	S	*	.	H	α-helix	trans	-63	-38	175	-65.9	86.3	179.9	0	0	112.5	P15 R20 L21	P15-E17 VanDerWaalsContact C-N 3.26Å; P15-E17 PolarHBondContact O-N 2.7Å; E17-R20 PolarHBondContact O-N 2.86Å; E17-L21 WeakPolarHBondContact O-CB 3.39Å; E17-L21 PolarHBondContact O-N 3.07Å
18	S	43.4	Very low	42.2	Very low	44 Å²	44	79 Å²	79	31%	0.308	41%	0.407	S	S	.	.	H	α-helix	trans	-69.3	-40.3	176.8	-57.3	0	0	0	0	111.6	P15 V16 L21 H22	P15-S18 WeakPolarHBondContact O-CA 3.41Å; P15-S18 WeakPolarHBondContact O-CB 3.47Å; P15-S18 PolarHBondContact O-N 3.1Å; V16-S18 VanDerWaalsContact C-N 3.32Å; V16-S18 PolarHBondContact O-N 2.93Å; S18-L21 PolarHBondContact O-N 3.37Å; S18-H22 WeakPolarHBondContact O-CB 3.3Å; S18-H22 PolarHBondContact O-CD2 3.13Å; S18-H22 PolarHBondContact O-N 2.92Å
19	R	40.6	Very low	42	Very low	69 Å²	69	78.4 Å²	78.4	26%	0.26	40%	0.404	S	S	.	.	H	α-helix	trans	-63.5	-41.9	172.7	-74.2	-170.7	-81.3	152.8	-1.7	111.4	H11 L14 P15 V16 L21 H22 A23	H11-R19 WeakPolarHBondContact O-CD 3.27Å; L14-R19 HydrophobicContact CB-CG 3.82Å; L14-R19 PolarHBondContact O-NE 2.97Å; L14-R19 VanDerWaalsContact O-NE 3.13Å; P15-R19 PolarHBondContact O-N 3.41Å; V16-R19 PolarHBondContact O-N 2.85Å; R19-L21 PolarHBondContact O-N 3.33Å; R19-H22 CarbonylContact O-C 3.49Å; R19-H22 PolarHBondContact O-N 2.89Å; R19-A23 VanDerWaalsContact O-CB 3.26Å; R19-A23 WeakPolarHBondContact O-CB 3.3Å; R19-A23 PolarHBondContact O-N 2.94Å
20	R	42.1	Very low	41.6	Very low	74 Å²	74	73.9 Å²	73.9	28%	0.279	39%	0.386	S	S	.	.	H	α-helix	trans	-61.5	-42	171.8	-78.4	-175.2	-172.2	171.7	4.2	112.2	V16 E17 H22 A23 S24 H119 E123	V16-R20 WeakPolarHBondContact O-CB 3.28Å; V16-R20 WeakPolarHBondContact O-CG 3.1Å; V16-R20 PolarHBondContact O-N 3.19Å; E17-R20 PolarHBondContact O-N 2.86Å; R20-H22 VanDerWaalsContact C-N 3.32Å; R20-H22 PolarHBondContact O-N 3.25Å; R20-A23 PolarHBondContact O-N 2.74Å; R20-S24 WeakPolarHBondContact O-CA 3.16Å; R20-S24 WeakPolarHBondContact O-CB 3.27Å; R20-S24 PolarHBondContact O-N 3.44Å; R20-S24 PolarHBondContact O-OG 2.97Å; R20-H119 PolarHBondContact NH1-CE1 2.92Å; R20-H119 PolarHBondContact NH1-NE2 2.89Å; R20-H119 PolarHBondContact NH2-CD2 3.15Å; R20-H119 VanDerWaalsContact NH2-CD2 3.34Å; R20-H119 PolarHBondContact NH2-CE1 3.18Å; R20-H119 VanDerWaalsContact NH2-CE1 3.25Å; R20-H119 PolarHBondContact NH2-NE2 3.39Å; R20-E123 IonicContact CZ-OE1 3.82Å; R20-E123 IonicContact NH2-OE1 2.82Å; R20-E123 PolarHBondContact NH2-OE1 2.82Å
21	L	43.6	Very low	41.2	Very low	104 Å²	104	73.8 Å²	73.8	55%	0.545	38%	0.382	S	S	.	.	H	α-helix	trans	-64.5	-39.6	177.4	-168.3	75.8	0	0	0	111.2	E17 S18 R19 S24 R25	E17-L21 WeakPolarHBondContact O-CB 3.39Å; E17-L21 PolarHBondContact O-N 3.07Å; S18-L21 PolarHBondContact O-N 3.37Å; R19-L21 PolarHBondContact O-N 3.33Å; L21-S24 VanDerWaalsContact CA-OG 3.3Å; L21-S24 WeakPolarHBondContact CA-OG 3.34Å; L21-S24 PolarHBondContact O-OG 3.35Å; L21-R25 VanDerWaalsContact O-CB 3.24Å; L21-R25 WeakPolarHBondContact O-CB 3.36Å; L21-R25 WeakPolarHBondContact O-CG 3.33Å; L21-R25 PolarHBondContact O-N 3.03Å
22	H	42.4	Very low	41	Very low	65 Å²	65	73.7 Å²	73.7	30%	0.301	38%	0.383	S	S	.	.	H	α-helix	trans	-66.4	-49	173.5	-86.3	-114.6	0	0	0	111.2	S18 R19 R20 S24 R25 Y26	S18-H22 WeakPolarHBondContact O-CB 3.3Å; S18-H22 PolarHBondContact O-CD2 3.13Å; S18-H22 PolarHBondContact O-N 2.92Å; R19-H22 CarbonylContact O-C 3.49Å; R19-H22 PolarHBondContact O-N 2.89Å; R20-H22 VanDerWaalsContact C-N 3.32Å; R20-H22 PolarHBondContact O-N 3.25Å; H22-S24 VanDerWaalsContact C-N 3.33Å; H22-S24 PolarHBondContact O-N 3.13Å; H22-R25 CarbonylContact O-C 3.56Å; H22-R25 WeakPolarHBondContact O-CB 3.32Å; H22-R25 PolarHBondContact O-N 3.47Å; H22-R25 VanDerWaalsContact O-N 3.15Å; H22-Y26 HydrophobicContact CB-CD2 4.36Å; H22-Y26 HydrophobicContact CB-CE2 3.89Å; H22-Y26 WeakPolarHBondContact O-CB 3.24Å; H22-Y26 WeakPolarHBondContact O-CD2 3.27Å; H22-Y26 PolarHBondContact O-N 3.28Å
23	A	41.2	Very low	40.5	Very low	17 Å²	17	67.9 Å²	67.9	14%	0.14	37%	0.366	C	S	.	.	H	α-helix	trans	-63.1	-37.5	177	0	0	0	0	0	112	R19 R20 Y26 A27 L126	R19-A23 VanDerWaalsContact O-CB 3.26Å; R19-A23 WeakPolarHBondContact O-CB 3.3Å; R19-A23 PolarHBondContact O-N 2.94Å; R20-A23 PolarHBondContact O-N 2.74Å; A23-Y26 PolarHBondContact O-N 3.3Å; A23-A27 WeakPolarHBondContact O-CB 3.19Å; A23-A27 PolarHBondContact O-N 2.87Å; A23-L126 HydrophobicContact CB-CD2 4.41Å
24	S	38.7	Very low	39.8	Very low	61 Å²	61	67.4 Å²	67.4	43%	0.427	35%	0.348	S	S	.	.	H	α-helix	trans	-71.3	-35.6	173.9	65.7	0	0	0	0	111.2	R20 L21 H22 F28	R20-S24 WeakPolarHBondContact O-CA 3.16Å; R20-S24 WeakPolarHBondContact O-CB 3.27Å; R20-S24 PolarHBondContact O-N 3.44Å; R20-S24 PolarHBondContact O-OG 2.97Å; L21-S24 VanDerWaalsContact CA-OG 3.3Å; L21-S24 WeakPolarHBondContact CA-OG 3.34Å; L21-S24 PolarHBondContact O-OG 3.35Å; H22-S24 VanDerWaalsContact C-N 3.33Å; H22-S24 PolarHBondContact O-N 3.13Å; S24-F28 WeakPolarHBondContact O-CA 3.3Å; S24-F28 WeakPolarHBondContact O-CB 3.47Å; S24-F28 PolarHBondContact O-N 3.42Å
25	R	38.9	Very low	39.5	Very low	161 Å²	161	70.6 Å²	70.6	61%	0.608	36%	0.362	S	S	*	.	H	α-helix	trans	-65.7	-43.4	170.2	-92.1	-179.1	155.1	-175.4	-7.3	110.8	L21 H22 F28 L29	L21-R25 VanDerWaalsContact O-CB 3.24Å; L21-R25 WeakPolarHBondContact O-CB 3.36Å; L21-R25 WeakPolarHBondContact O-CG 3.33Å; L21-R25 PolarHBondContact O-N 3.03Å; H22-R25 CarbonylContact O-C 3.56Å; H22-R25 WeakPolarHBondContact O-CB 3.32Å; H22-R25 PolarHBondContact O-N 3.47Å; H22-R25 VanDerWaalsContact O-N 3.15Å; R25-F28 PolarHBondContact O-N 3.25Å; R25-L29 VanDerWaalsContact O-CB 3.24Å; R25-L29 WeakPolarHBondContact O-CB 3.47Å; R25-L29 WeakPolarHBondContact O-CG 3.43Å; R25-L29 PolarHBondContact O-N 3.14Å
26	Y	40.7	Very low	39.2	Very low	68 Å²	68	69.7 Å²	69.7	27%	0.267	36%	0.361	S	S	.	.	H	α-helix	trans	-63.9	-47.6	175.9	-63.4	-39.9	0	0	0	110.5	H22 A23 F28 L29 I30 L56	H22-Y26 HydrophobicContact CB-CD2 4.36Å; H22-Y26 HydrophobicContact CB-CE2 3.89Å; H22-Y26 WeakPolarHBondContact O-CB 3.24Å; H22-Y26 WeakPolarHBondContact O-CD2 3.27Å; H22-Y26 PolarHBondContact O-N 3.28Å; A23-Y26 PolarHBondContact O-N 3.3Å; Y26-F28 VanDerWaalsContact C-N 3.34Å; Y26-F28 PolarHBondContact O-N 2.99Å; Y26-L29 PolarHBondContact O-N 2.87Å; Y26-I30 WeakPolarHBondContact O-CB 3.49Å; Y26-I30 WeakPolarHBondContact O-CD1 3.26Å; Y26-I30 WeakPolarHBondContact O-CG1 3.24Å; Y26-I30 PolarHBondContact O-N 3.39Å; Y26-L56 HydrophobicContact CD1-CD1 3.37Å; Y26-L56 HydrophobicContact CE1-CD1 3.99Å; Y26-L56 HydrophobicContact CG-CD1 4.3Å
27	A	37	Very low	38.6	Very low	56 Å²	56	72.4 Å²	72.4	46%	0.463	37%	0.373	S	S	.	.	H	α-helix	trans	-62.8	-38.5	175.6	0	0	0	0	0	112.1	A23 S31	A23-A27 WeakPolarHBondContact O-CB 3.19Å; A23-A27 PolarHBondContact O-N 2.87Å; A27-S31 WeakPolarHBondContact O-CB 3.49Å; A27-S31 PolarHBondContact O-N 2.73Å
28	F	38.2	Very low	38	Very low	137 Å²	137	69.6 Å²	69.6	60%	0.601	37%	0.369	S	S	*	.	H	α-helix	trans	-69.2	-43.7	174.9	178.2	-96.1	0	0	0	111.6	S24 R25 Y26 I30 S31 S32	S24-F28 WeakPolarHBondContact O-CA 3.3Å; S24-F28 WeakPolarHBondContact O-CB 3.47Å; S24-F28 PolarHBondContact O-N 3.42Å; R25-F28 PolarHBondContact O-N 3.25Å; Y26-F28 VanDerWaalsContact C-N 3.34Å; Y26-F28 PolarHBondContact O-N 2.99Å; F28-I30 VanDerWaalsContact C-N 3.33Å; F28-S31 PolarHBondContact O-N 3.28Å; F28-S32 WeakPolarHBondContact CE1-OG 3.44Å; F28-S32 WeakPolarHBondContact CZ-OG 3.24Å; F28-S32 WeakPolarHBondContact O-CB 3.15Å; F28-S32 PolarHBondContact O-N 2.82Å; F28-S32 PolarHBondContact O-OG 2.85Å
29	L	36.4	Very low	37.5	Very low	21 Å²	21	72.4 Å²	72.4	11%	0.11	38%	0.381	C	S	.	.	H	α-helix	trans	-65	-39.7	176.5	-71.7	169	0	0	0	110.7	R25 Y26 A33 P52 E55 L56	R25-L29 VanDerWaalsContact O-CB 3.24Å; R25-L29 WeakPolarHBondContact O-CB 3.47Å; R25-L29 WeakPolarHBondContact O-CG 3.43Å; R25-L29 PolarHBondContact O-N 3.14Å; Y26-L29 PolarHBondContact O-N 2.87Å; L29-A33 VanDerWaalsContact O-CB 3.31Å; L29-A33 WeakPolarHBondContact O-CB 3.05Å; L29-A33 PolarHBondContact O-N 2.89Å; L29-P52 HydrophobicContact CB-CB 4.48Å; L29-P52 HydrophobicContact CD2-CB 3.9Å; L29-P52 WeakPolarHBondContact O-CB 3.05Å; L29-E55 HydrophobicContact CD2-CB 4.22Å; L29-L56 HydrophobicContact CB-CD1 4.32Å; L29-L56 HydrophobicContact CD1-CD1 4.05Å
30	I	36.6	Very low	37	Very low	42 Å²	42	72.7 Å²	72.7	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-64.7	-50.4	173	-70.7	165.4	0	0	0	110.1	Y26 F28 S32 A33 F34	Y26-I30 WeakPolarHBondContact O-CB 3.49Å; Y26-I30 WeakPolarHBondContact O-CD1 3.26Å; Y26-I30 WeakPolarHBondContact O-CG1 3.24Å; Y26-I30 PolarHBondContact O-N 3.39Å; F28-I30 VanDerWaalsContact C-N 3.33Å; I30-S32 VanDerWaalsContact C-N 3.32Å; I30-S32 PolarHBondContact O-N 3.31Å; I30-A33 WeakPolarHBondContact O-CB 3.46Å; I30-A33 PolarHBondContact O-N 3.5Å; I30-F34 HydrophobicContact CG2-CD2 3.68Å; I30-F34 HydrophobicContact CG2-CE2 3.37Å; I30-F34 WeakPolarHBondContact O-CD2 3.45Å; I30-F34 PolarHBondContact O-N 2.82Å
31	S	34	Very low	36.5	Very low	58 Å²	58	78.4 Å²	78.4	41%	0.406	42%	0.42	S	S	.	.	H	α-helix	trans	-61.8	-38.7	177.6	-174.2	0	0	0	0	112.3	A27 F28 F34 E35	A27-S31 WeakPolarHBondContact O-CB 3.49Å; A27-S31 PolarHBondContact O-N 2.73Å; F28-S31 PolarHBondContact O-N 3.28Å; S31-F34 PolarHBondContact O-N 3.33Å; S31-E35 PolarHBondContact O-N 3.24Å
32	S	36.6	Very low	36	Very low	20 Å²	20	79 Å²	79	14%	0.14	43%	0.428	C	S	.	.	H	α-helix	trans	-71.5	-33.6	177.6	-58.7	0	0	0	0	111.1	F28 I30 A36	F28-S32 WeakPolarHBondContact CE1-OG 3.44Å; F28-S32 WeakPolarHBondContact CZ-OG 3.24Å; F28-S32 WeakPolarHBondContact O-CB 3.15Å; F28-S32 PolarHBondContact O-N 2.82Å; F28-S32 PolarHBondContact O-OG 2.85Å; I30-S32 VanDerWaalsContact C-N 3.32Å; I30-S32 PolarHBondContact O-N 3.31Å; S32-A36 WeakPolarHBondContact O-CB 3.44Å; S32-A36 PolarHBondContact O-N 2.73Å
33	A	35.7	Very low	35.3	Very low	19 Å²	19	80.5 Å²	80.5	16%	0.157	45%	0.446	C	S	.	.	H	α-helix	trans	-64.1	-42.8	169.6	0	0	0	0	0	111.2	L29 I30 A36 D37 L53	L29-A33 VanDerWaalsContact O-CB 3.31Å; L29-A33 WeakPolarHBondContact O-CB 3.05Å; L29-A33 PolarHBondContact O-N 2.89Å; I30-A33 WeakPolarHBondContact O-CB 3.46Å; I30-A33 PolarHBondContact O-N 3.5Å; A33-A36 PolarHBondContact O-N 2.7Å; A33-D37 PolarHBondContact O-N 3.28Å; A33-L53 HydrophobicContact CB-CD1 3.43Å; A33-L53 VanDerWaalsContact CB-CD1 3.43Å
34	F	35.6	Very low	34.8	Very low	72 Å²	72	86.8 Å²	86.8	32%	0.316	48%	0.483	S	S	.	.	H	α-helix	trans	-63.7	-44.4	174.6	-79.1	-66.2	0	0	0	113	I30 S31 A36 D37 S38 D92 F95	I30-F34 HydrophobicContact CG2-CD2 3.68Å; I30-F34 HydrophobicContact CG2-CE2 3.37Å; I30-F34 WeakPolarHBondContact O-CD2 3.45Å; I30-F34 PolarHBondContact O-N 2.82Å; S31-F34 PolarHBondContact O-N 3.33Å; F34-A36 VanDerWaalsContact C-N 3.33Å; F34-A36 PolarHBondContact O-N 2.97Å; F34-D37 PolarHBondContact O-N 3.49Å; F34-S38 WeakPolarHBondContact O-CB 3.38Å; F34-S38 PolarHBondContact O-N 2.84Å; F34-S38 PolarHBondContact O-OG 3.44Å; F34-D92 WeakPolarHBondContact CE1-OD1 3.12Å; F34-D92 WeakPolarHBondContact CZ-OD1 3.49Å; F34-F95 HydrophobicContact CZ-CB 4.21Å
35	E	34.6	Very low	34.3	Very low	123 Å²	123	89.3 Å²	89.3	58%	0.575	50%	0.496	S	S	*	.	H	α-helix	trans	-64.4	-40	175.8	-81	-169.6	170.3	0	0	111.4	S31 D37 S38 N39	S31-E35 PolarHBondContact O-N 3.24Å; E35-D37 VanDerWaalsContact C-N 3.35Å; E35-D37 PolarHBondContact O-N 3.29Å; E35-S38 PolarHBondContact O-N 2.75Å; E35-S38 PolarHBondContact O-OG 2.72Å; E35-N39 WeakPolarHBondContact O-CB 3.24Å; E35-N39 PolarHBondContact O-N 3.4Å; E35-N39 VanDerWaalsContact O-N 3.08Å; E35-N39 PolarHBondContact O-ND2 3.38Å
36	A	37.9	Very low	34	Very low	55 Å²	55	87.6 Å²	87.6	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-63.6	-39.9	176.8	0	0	0	0	0	111.8	S32 A33 F34 N39 S40	S32-A36 WeakPolarHBondContact O-CB 3.44Å; S32-A36 PolarHBondContact O-N 2.73Å; A33-A36 PolarHBondContact O-N 2.7Å; F34-A36 VanDerWaalsContact C-N 3.33Å; F34-A36 PolarHBondContact O-N 2.97Å; A36-N39 PolarHBondContact O-N 2.71Å; A36-S40 WeakPolarHBondContact O-CB 3.4Å; A36-S40 PolarHBondContact O-N 3.5Å
37	D	33.1	Very low	33.4	Very low	113 Å²	113	92.1 Å²	92.1	60%	0.604	53%	0.526	S	S	*	.	H	α-helix	trans	-79.3	-28.6	179.5	-124.9	-6.4	0	0	0	113.4	A33 F34 E35 N39 S40	A33-D37 PolarHBondContact O-N 3.28Å; F34-D37 PolarHBondContact O-N 3.49Å; E35-D37 VanDerWaalsContact C-N 3.35Å; E35-D37 PolarHBondContact O-N 3.29Å; D37-N39 VanDerWaalsContact C-N 3.26Å; D37-N39 PolarHBondContact O-N 3.29Å; D37-S40 PolarHBondContact O-N 3.15Å; D37-S40 PolarHBondContact O-OG 3.19Å; D37-S40 PolarHBondContact OD1-OG 3.38Å; D37-S40 VanDerWaalsContact OD1-OG 3.07Å
38	S	31.7	Very low	33.4	Very low	82 Å²	82	101.8 Å²	101.8	57%	0.573	55%	0.551	S	S	*	*	H	α-helix	trans	-66.6	-30.5	169.6	72	0	0	0	0	112.5	F34 E35	F34-S38 WeakPolarHBondContact O-CB 3.38Å; F34-S38 PolarHBondContact O-N 2.84Å; F34-S38 PolarHBondContact O-OG 3.44Å; E35-S38 PolarHBondContact O-N 2.75Å; E35-S38 PolarHBondContact O-OG 2.72Å
39	N	31.1	Very low	33.2	Very low	104 Å²	104	104 Å²	104	56%	0.556	56%	0.56	S	S	*	*	H	α-helix	trans	-95.1	-8	179.4	-73.9	-35.1	0	0	0	113.9	E35 A36 D37 K41 T42	E35-N39 WeakPolarHBondContact O-CB 3.24Å; E35-N39 PolarHBondContact O-N 3.4Å; E35-N39 VanDerWaalsContact O-N 3.08Å; E35-N39 PolarHBondContact O-ND2 3.38Å; A36-N39 PolarHBondContact O-N 2.71Å; D37-N39 VanDerWaalsContact C-N 3.26Å; D37-N39 PolarHBondContact O-N 3.29Å; N39-K41 PolarHBondContact O-N 2.98Å; N39-T42 PolarHBondContact O-N 3.18Å
40	S	30.2	Very low	33.3	Very low	74 Å²	74	106.2 Å²	106.2	52%	0.517	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66	-7.7	-177.1	71.9	0	0	0	0	113.6	A36 D37 T42	A36-S40 WeakPolarHBondContact O-CB 3.4Å; A36-S40 PolarHBondContact O-N 3.5Å; D37-S40 PolarHBondContact O-N 3.15Å; D37-S40 PolarHBondContact O-OG 3.19Å; D37-S40 PolarHBondContact OD1-OG 3.38Å; D37-S40 VanDerWaalsContact OD1-OG 3.07Å; S40-T42 PolarHBondContact O-N 2.98Å
41	K	31.3	Very low	33.4	Very low	195 Å²	195	106.2 Å²	106.2	85%	0.848	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-9.4	168.2	-80.4	-177.2	178.5	173.2	0	114.7	N39	N39-K41 PolarHBondContact O-N 2.98Å
42	T	33.4	Very low	33.7	Very low	115 Å²	115	105 Å²	105	71%	0.706	57%	0.57	S	S	*	*	S	Bend	trans	-148.6	69.9	-175.6	46.6	0	0	0	0	114.4	N39 S40	N39-T42 PolarHBondContact O-N 3.18Å; S40-T42 PolarHBondContact O-N 2.98Å
43	S	28.9	Very low	33.9	Very low	97 Å²	97	106.4 Å²	106.4	68%	0.678	58%	0.575	S	S	*	*			trans	179.3	117.7	145.8	49.7	0	0	0	0	112.4
44	T	30.1	Very low	34.1	Very low	149 Å²	149	108.6 Å²	108.6	91%	0.914	58%	0.582	S	S	*	*			trans	-93.7	24.3	178.8	30.6	0	0	0	0	114.1
45	T	28.5	Very low	34.5	Very low	115 Å²	115	109.6 Å²	109.6	71%	0.706	59%	0.588	S	S	*	*			trans	-149.6	147	-175.5	12.1	0	0	0	0	111.4
46	V	31.9	Very low	34.8	Very low	124 Å²	124	104.8 Å²	104.8	75%	0.752	57%	0.566	S	S	*	*	S	Bend	trans	102.7	106.1	166.1	-169.4	0	0	0	0	115.1
47	Q	29.2	Very low	35	Very low	163 Å²	163	103 Å²	103	76%	0.762	55%	0.548	S	S	*	.			trans	45.4	115.5	151.4	-64.9	176.8	-19.6	0	0	117	K49	Q47-K49 PolarHBondContact O-N 3.35Å
48	R	35.5	Very low	35.4	Very low	259 Å²	259	100.3 Å²	100.3	98%	0.977	53%	0.533	S	S	*	.			trans	-55.4	76.2	164.7	-77.1	-180	173.9	172.2	-3.4	110.6
49	K	34.9	Very low	36	Very low	183 Å²	183	99.7 Å²	99.7	80%	0.796	53%	0.529	S	S	*	.			trans	-69.7	122.9	149.3	-82.2	-177	173.7	-179.2	0	104.5	Q47 S51	Q47-K49 PolarHBondContact O-N 3.35Å; K49-S51 PolarHBondContact O-N 3.21Å
50	T	37.8	Very low	36.4	Very low	69 Å²	69	98.4 Å²	98.4	42%	0.423	52%	0.522	S	S	.	.			trans	-45.2	127.2	168.9	33	0	0	0	0	107.9	E54	T50-E54 WeakPolarHBondContact CA-OE2 3.31Å
51	S	39.9	Very low	36.8	Very low	42 Å²	42	96.7 Å²	96.7	29%	0.294	51%	0.507	S	S	.	.			trans	-61	149.5	-179.4	79.2	0	0	0	0	108.3	K49 L53 E54 E55	K49-S51 PolarHBondContact O-N 3.21Å; S51-L53 PolarHBondContact O-N 2.86Å; S51-L53 VanDerWaalsContact OG-CB 3.23Å; S51-L53 WeakPolarHBondContact OG-CB 3.21Å; S51-L53 PolarHBondContact OG-N 3.34Å; S51-E54 PolarHBondContact N-OE2 3.1Å; S51-E54 WeakPolarHBondContact O-CA 3.37Å; S51-E54 WeakPolarHBondContact O-CB 3.36Å; S51-E54 PolarHBondContact O-N 3.38Å; S51-E54 PolarHBondContact OG-N 2.88Å; S51-E55 PolarHBondContact O-N 3.24Å
52	P	40.6	Very low	37.2	Very low	33 Å²	33	93.1 Å²	93.1	21%	0.214	49%	0.489	C	S	.	.	H	α-helix	trans	-50.4	-28.4	172	-27.1	34.6	0	0	0	112.5	L29 L56	L29-P52 HydrophobicContact CB-CB 4.48Å; L29-P52 HydrophobicContact CD2-CB 3.9Å; L29-P52 WeakPolarHBondContact O-CB 3.05Å; P52-L56 PolarHBondContact O-N 2.92Å; P52-L56 VanDerWaalsContact O-N 3.14Å
53	L	40.1	Very low	37.4	Very low	48 Å²	48	91.4 Å²	91.4	25%	0.251	48%	0.479	S	S	.	.	H	α-helix	trans	-67.8	-45	173.5	-140.8	82.1	0	0	0	113	A33 S51 E55 L56 L57 L88	A33-L53 HydrophobicContact CB-CD1 3.43Å; A33-L53 VanDerWaalsContact CB-CD1 3.43Å; S51-L53 PolarHBondContact O-N 2.86Å; S51-L53 VanDerWaalsContact OG-CB 3.23Å; S51-L53 WeakPolarHBondContact OG-CB 3.21Å; S51-L53 PolarHBondContact OG-N 3.34Å; L53-E55 VanDerWaalsContact C-N 3.33Å; L53-L56 WeakPolarHBondContact O-CB 3.45Å; L53-L56 PolarHBondContact O-N 3.34Å; L53-L57 WeakPolarHBondContact O-CG 3.35Å; L53-L57 PolarHBondContact O-N 3.02Å; L53-L57 VanDerWaalsContact O-N 3.08Å; L53-L88 HydrophobicContact CD1-CD2 3.86Å; L53-L88 HydrophobicContact CD2-CD1 3.31Å; L53-L88 HydrophobicContact CD2-CD2 4.03Å; L53-L88 HydrophobicContact CD2-CG 4.19Å; L53-L88 HydrophobicContact CG-CD1 3.91Å; L53-L88 HydrophobicContact CG-CD2 3.89Å
54	E	40.3	Very low	37.8	Very low	65 Å²	65	91.8 Å²	91.8	30%	0.304	47%	0.469	S	S	.	.	H	α-helix	trans	-62.8	-40.5	174	-79.8	177.1	147.6	0	0	110.9	T50 S51 L56 L57 I58 W81	T50-E54 WeakPolarHBondContact CA-OE2 3.31Å; S51-E54 PolarHBondContact N-OE2 3.1Å; S51-E54 WeakPolarHBondContact O-CA 3.37Å; S51-E54 WeakPolarHBondContact O-CB 3.36Å; S51-E54 PolarHBondContact O-N 3.38Å; S51-E54 PolarHBondContact OG-N 2.88Å; E54-L56 VanDerWaalsContact C-N 3.32Å; E54-L56 PolarHBondContact O-N 3.24Å; E54-L57 PolarHBondContact O-N 3.13Å; E54-I58 WeakPolarHBondContact O-CB 3.43Å; E54-I58 WeakPolarHBondContact O-CD1 3.48Å; E54-I58 WeakPolarHBondContact O-CG1 3.42Å; E54-I58 PolarHBondContact O-N 3.48Å; E54-W81 HydrophobicContact CG-CH2 4.03Å; E54-W81 HydrophobicContact CG-CZ3 3.96Å
55	E	42.8	Very low	38	Very low	93 Å²	93	85.1 Å²	85.1	44%	0.435	43%	0.429	S	S	.	.	H	α-helix	trans	-62.2	-38.8	175.2	-84.7	-171.2	172.7	0	0	112.6	L29 S51 L53 S59	L29-E55 HydrophobicContact CD2-CB 4.22Å; S51-E55 PolarHBondContact O-N 3.24Å; L53-E55 VanDerWaalsContact C-N 3.33Å; E55-S59 VanDerWaalsContact O-CB 3.28Å; E55-S59 WeakPolarHBondContact O-CB 3.22Å; E55-S59 PolarHBondContact O-N 2.86Å; E55-S59 PolarHBondContact O-OG 2.82Å
56	L	42.1	Very low	38.4	Very low	22 Å²	22	85.9 Å²	85.9	12%	0.115	43%	0.425	C	S	.	.	H	α-helix	trans	-61.3	-47.4	174.6	-168.3	87.6	0	0	0	111.2	Y26 L29 P52 L53 E54 S59 L60	Y26-L56 HydrophobicContact CD1-CD1 3.37Å; Y26-L56 HydrophobicContact CE1-CD1 3.99Å; Y26-L56 HydrophobicContact CG-CD1 4.3Å; L29-L56 HydrophobicContact CB-CD1 4.32Å; L29-L56 HydrophobicContact CD1-CD1 4.05Å; P52-L56 PolarHBondContact O-N 2.92Å; P52-L56 VanDerWaalsContact O-N 3.14Å; L53-L56 WeakPolarHBondContact O-CB 3.45Å; L53-L56 PolarHBondContact O-N 3.34Å; E54-L56 VanDerWaalsContact C-N 3.32Å; E54-L56 PolarHBondContact O-N 3.24Å; L56-S59 PolarHBondContact O-N 3.34Å; L56-L60 HydrophobicContact CG-CD1 4.32Å; L56-L60 WeakPolarHBondContact O-CG 3.28Å; L56-L60 PolarHBondContact O-N 2.93Å
57	L	41.4	Very low	38.4	Very low	17 Å²	17	88.6 Å²	88.6	9%	0.089	43%	0.429	C	S	.	.	H	α-helix	trans	-66.2	-45.7	-179.9	-74.8	169.8	0	0	0	112.1	L53 E54 S59 L60 L61 Q84 L88	L53-L57 WeakPolarHBondContact O-CG 3.35Å; L53-L57 PolarHBondContact O-N 3.02Å; L53-L57 VanDerWaalsContact O-N 3.08Å; E54-L57 PolarHBondContact O-N 3.13Å; L57-S59 VanDerWaalsContact C-N 3.28Å; L57-S59 PolarHBondContact O-N 3.2Å; L57-L60 PolarHBondContact O-N 2.81Å; L57-L61 VanDerWaalsContact O-CB 3.32Å; L57-L61 WeakPolarHBondContact O-CB 3.12Å; L57-L61 WeakPolarHBondContact O-CG 3.34Å; L57-L61 PolarHBondContact O-N 3.37Å; L57-Q84 HydrophobicContact CD1-CB 4.14Å; L57-Q84 HydrophobicContact CD1-CG 4.25Å; L57-Q84 HydrophobicContact CD2-CB 4.04Å; L57-Q84 HydrophobicContact CD2-CG 3.56Å; L57-L88 HydrophobicContact CD1-CD1 4.32Å
58	I	42.8	Very low	38.6	Very low	57 Å²	57	82.5 Å²	82.5	29%	0.292	40%	0.403	S	S	.	.	H	α-helix	trans	-56.2	-48.2	173	-69.7	165.5	0	0	0	108.3	E54 L60 L61 Y62 Y77	E54-I58 WeakPolarHBondContact O-CB 3.43Å; E54-I58 WeakPolarHBondContact O-CD1 3.48Å; E54-I58 WeakPolarHBondContact O-CG1 3.42Å; E54-I58 PolarHBondContact O-N 3.48Å; I58-L60 PolarHBondContact O-N 3.45Å; I58-L61 PolarHBondContact O-N 2.95Å; I58-Y62 HydrophobicContact CG2-CD2 3.83Å; I58-Y62 HydrophobicContact CG2-CE2 4.46Å; I58-Y62 VanDerWaalsContact O-CA 3.31Å; I58-Y62 WeakPolarHBondContact O-CA 3.48Å; I58-Y62 WeakPolarHBondContact O-CB 3.32Å; I58-Y62 PolarHBondContact O-N 2.88Å; I58-Y77 HydrophobicContact CG1-CE1 4.33Å
59	S	42.6	Very low	38.6	Very low	69 Å²	69	74 Å²	74	48%	0.483	38%	0.382	S	S	.	.	H	α-helix	trans	-63	-37.8	-178.9	-59.9	0	0	0	0	113.7	E55 L56 L57	E55-S59 VanDerWaalsContact O-CB 3.28Å; E55-S59 WeakPolarHBondContact O-CB 3.22Å; E55-S59 PolarHBondContact O-N 2.86Å; E55-S59 PolarHBondContact O-OG 2.82Å; L56-S59 PolarHBondContact O-N 3.34Å; L57-S59 VanDerWaalsContact C-N 3.28Å; L57-S59 PolarHBondContact O-N 3.2Å
60	L	40.1	Very low	38.7	Very low	78 Å²	78	70.3 Å²	70.3	41%	0.408	37%	0.367	S	S	.	.	H	α-helix	trans	-73.7	-33.1	178.6	-78.8	166.5	0	0	0	112.7	L56 L57 I58	L56-L60 HydrophobicContact CG-CD1 4.32Å; L56-L60 WeakPolarHBondContact O-CG 3.28Å; L56-L60 PolarHBondContact O-N 2.93Å; L57-L60 PolarHBondContact O-N 2.81Å; I58-L60 PolarHBondContact O-N 3.45Å
61	L	39.3	Very low	38.4	Very low	38 Å²	38	71.2 Å²	71.2	20%	0.199	37%	0.374	C	S	.	.	H	α-helix	trans	-103.4	-10.8	-173.5	-65.7	163.7	0	0	0	113.6	L57 I58 P63 F64 A65 L80	L57-L61 VanDerWaalsContact O-CB 3.32Å; L57-L61 WeakPolarHBondContact O-CB 3.12Å; L57-L61 WeakPolarHBondContact O-CG 3.34Å; L57-L61 PolarHBondContact O-N 3.37Å; I58-L61 PolarHBondContact O-N 2.95Å; L61-P63 VanDerWaalsContact C-N 3.28Å; L61-F64 HydrophobicContact CD2-CD2 4.44Å; L61-F64 WeakPolarHBondContact O-CA 3.06Å; L61-F64 WeakPolarHBondContact O-CB 3.2Å; L61-F64 PolarHBondContact O-N 2.69Å; L61-A65 PolarHBondContact O-N 3.29Å; L61-A65 VanDerWaalsContact O-N 3.16Å; L61-L80 HydrophobicContact CD1-CD1 3.66Å; L61-L80 HydrophobicContact CD2-CD1 4.09Å; L61-L80 HydrophobicContact CG-CD1 4.46Å
62	Y	38.7	Very low	38.2	Very low	120 Å²	120	72.1 Å²	72.1	47%	0.471	37%	0.373	S	S	.	.	H	α-helix	trans	-47.9	-45	180	-154.6	-104.1	0	0	0	112.7	I58 F64 A65 E66	I58-Y62 HydrophobicContact CG2-CD2 3.83Å; I58-Y62 HydrophobicContact CG2-CE2 4.46Å; I58-Y62 VanDerWaalsContact O-CA 3.31Å; I58-Y62 WeakPolarHBondContact O-CA 3.48Å; I58-Y62 WeakPolarHBondContact O-CB 3.32Å; I58-Y62 PolarHBondContact O-N 2.88Å; Y62-F64 PolarHBondContact O-N 2.84Å; Y62-F64 VanDerWaalsContact O-N 3.14Å; Y62-A65 PolarHBondContact O-N 2.74Å; Y62-E66 HydrophobicContact CE1-CG 4.29Å
63	P	37.6	Very low	38.1	Very low	78 Å²	78	73.6 Å²	73.6	51%	0.506	37%	0.374	S	S	.	.	H	α-helix	trans	-62.8	-24.3	179.4	-20.8	33.7	0	0	0	113.5	L61	L61-P63 VanDerWaalsContact C-N 3.28Å
64	F	36.6	Very low	38.2	Very low	106 Å²	106	76.7 Å²	76.7	47%	0.465	39%	0.387	S	S	.	.	H	α-helix	trans	-90.6	-18	177.8	-60.4	-79.4	0	0	0	113	L61 Y62 V68	L61-F64 HydrophobicContact CD2-CD2 4.44Å; L61-F64 WeakPolarHBondContact O-CA 3.06Å; L61-F64 WeakPolarHBondContact O-CB 3.2Å; L61-F64 PolarHBondContact O-N 2.69Å; Y62-F64 PolarHBondContact O-N 2.84Å; Y62-F64 VanDerWaalsContact O-N 3.14Å; F64-V68 WeakPolarHBondContact O-CG2 3.42Å
65	A	36.3	Very low	38	Very low	9 Å²	9	76.6 Å²	76.6	7%	0.074	39%	0.388	C	S	.	.	H	α-helix	trans	-87.8	-23.6	-172.4	0	0	0	0	0	113.6	L61 Y62 R73	L61-A65 PolarHBondContact O-N 3.29Å; L61-A65 VanDerWaalsContact O-N 3.16Å; Y62-A65 PolarHBondContact O-N 2.74Å; A65-R73 HydrophobicContact CB-CG 3.87Å; A65-R73 PolarHBondContact O-NE 3.3Å; A65-R73 PolarHBondContact O-NH2 2.86Å
66	E	35.3	Very low	37.7	Very low	130 Å²	130	75 Å²	75	61%	0.607	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-25	178.8	-74.6	-161.6	152	0	0	113.2	Y62 V68	Y62-E66 HydrophobicContact CE1-CG 4.29Å; E66-V68 VanDerWaalsContact C-N 3.26Å; E66-V68 PolarHBondContact O-N 3.37Å
67	E	33.4	Very low	37.7	Very low	182 Å²	182	76.7 Å²	76.7	85%	0.85	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	0.1	178.6	-66.1	-167.3	171.8	0	0	113.9
68	V	31.9	Very low	37.7	Very low	35 Å²	35	78.6 Å²	78.6	21%	0.212	40%	0.398	C	S	.	.	S	Bend	trans	-122.6	131.6	-172.3	-153.8	0	0	0	0	111.6	F64 E66 F72 I76	F64-V68 WeakPolarHBondContact O-CG2 3.42Å; E66-V68 VanDerWaalsContact C-N 3.26Å; E66-V68 PolarHBondContact O-N 3.37Å; V68-F72 HydrophobicContact CB-CB 4.46Å; V68-F72 HydrophobicContact CG1-CB 3.36Å; V68-F72 HydrophobicContact CG1-CD1 4.14Å; V68-F72 HydrophobicContact CG1-CG 3.99Å; V68-I76 HydrophobicContact CB-CD1 4.24Å; V68-I76 HydrophobicContact CG1-CD1 3.92Å; V68-I76 HydrophobicContact CG2-CD1 3.94Å
69	P	35.8	Very low	37.3	Very low	81 Å²	81	78.6 Å²	78.6	53%	0.526	40%	0.398	S	S	.	.			trans	-53	145.7	178.5	-28.5	34.6	0	0	0	113.7	P71 F72 R73	P69-P71 WeakPolarHBondContact O-CD 3.45Å; P69-P71 VanDerWaalsContact O-N 3.13Å; P69-F72 CarbonylContact O-C 3.59Å; P69-F72 VanDerWaalsContact O-CA 3.3Å; P69-F72 WeakPolarHBondContact O-CA 3.49Å; P69-F72 WeakPolarHBondContact O-CB 3.49Å; P69-F72 PolarHBondContact O-N 2.75Å; P69-R73 PolarHBondContact O-N 3.04Å
70	E	37.6	Very low	37.2	Very low	104 Å²	104	76.1 Å²	76.1	49%	0.486	38%	0.379	S	S	.	.	H	α-helix	trans	-46.3	-44.4	-173.9	-156.3	65.3	-142.3	0	0	116.3	F72 R73 Q74	E70-F72 PolarHBondContact O-N 3.44Å; E70-R73 WeakPolarHBondContact O-CB 3.47Å; E70-R73 PolarHBondContact O-N 3.38Å; E70-R73 VanDerWaalsContact O-N 3.13Å; E70-R73 IonicContact OE1-CZ 3.42Å; E70-R73 IonicContact OE1-NH1 2.95Å; E70-R73 PolarHBondContact OE1-NH1 3.09Å; E70-R73 IonicContact OE2-CZ 2.83Å; E70-R73 VanDerWaalsContact OE2-CZ 3.25Å; E70-R73 IonicContact OE2-NH1 3.53Å; E70-R73 PolarHBondContact OE2-NH1 3.04Å; E70-R73 IonicContact OE2-NH2 2.77Å; E70-Q74 PolarHBondContact O-N 3.48Å
71	P	32.2	Very low	37.2	Very low	88 Å²	88	77 Å²	77	57%	0.571	38%	0.377	S	S	*	.	H	α-helix	trans	-64	-33.9	177.8	-17.1	30.5	0	0	0	111.9	P69 L75	P69-P71 WeakPolarHBondContact O-CD 3.45Å; P69-P71 VanDerWaalsContact O-N 3.13Å; P71-L75 PolarHBondContact O-N 3.31Å
72	F	34.5	Very low	37.4	Very low	62 Å²	62	80.7 Å²	80.7	27%	0.272	39%	0.392	S	S	.	.	H	α-helix	trans	-76.9	-32.1	174.8	-104.4	-89.4	0	0	0	112.3	V68 P69 E70 Q74 L75 I76 A268	V68-F72 HydrophobicContact CB-CB 4.46Å; V68-F72 HydrophobicContact CG1-CB 3.36Å; V68-F72 HydrophobicContact CG1-CD1 4.14Å; V68-F72 HydrophobicContact CG1-CG 3.99Å; P69-F72 CarbonylContact O-C 3.59Å; P69-F72 VanDerWaalsContact O-CA 3.3Å; P69-F72 WeakPolarHBondContact O-CA 3.49Å; P69-F72 WeakPolarHBondContact O-CB 3.49Å; P69-F72 PolarHBondContact O-N 2.75Å; E70-F72 PolarHBondContact O-N 3.44Å; F72-Q74 VanDerWaalsContact C-N 3.25Å; F72-Q74 PolarHBondContact O-N 3.32Å; F72-L75 HydrophobicContact CD1-CD2 4.27Å; F72-L75 HydrophobicContact CE1-CD2 3.95Å; F72-L75 HydrophobicContact CZ-CD2 4.26Å; F72-L75 PolarHBondContact O-N 2.78Å; F72-I76 VanDerWaalsContact O-CB 3.25Å; F72-I76 WeakPolarHBondContact O-CB 3.24Å; F72-I76 VanDerWaalsContact O-CG1 3.25Å; F72-I76 WeakPolarHBondContact O-CG1 3.28Å; F72-I76 PolarHBondContact O-N 2.86Å; F72-A268 HydrophobicContact CE1-CB 4.32Å; F72-A268 HydrophobicContact CE2-CB 3.77Å; F72-A268 HydrophobicContact CZ-CB 3.3Å
73	R	39.4	Very low	37.3	Very low	63 Å²	63	77.8 Å²	77.8	24%	0.238	39%	0.387	C	S	.	.	H	α-helix	trans	-59	-44.4	171.7	-160	-170.6	-70.9	148.8	1.1	109.7	A65 P69 E70 Y77	A65-R73 HydrophobicContact CB-CG 3.87Å; A65-R73 PolarHBondContact O-NE 3.3Å; A65-R73 PolarHBondContact O-NH2 2.86Å; P69-R73 PolarHBondContact O-N 3.04Å; E70-R73 WeakPolarHBondContact O-CB 3.47Å; E70-R73 PolarHBondContact O-N 3.38Å; E70-R73 VanDerWaalsContact O-N 3.13Å; E70-R73 IonicContact OE1-CZ 3.42Å; E70-R73 IonicContact OE1-NH1 2.95Å; E70-R73 PolarHBondContact OE1-NH1 3.09Å; E70-R73 IonicContact OE2-CZ 2.83Å; E70-R73 VanDerWaalsContact OE2-CZ 3.25Å; E70-R73 IonicContact OE2-NH1 3.53Å; E70-R73 PolarHBondContact OE2-NH1 3.04Å; E70-R73 IonicContact OE2-NH2 2.77Å; R73-Y77 HydrophobicContact CG-CD2 3.78Å; R73-Y77 HydrophobicContact CG-CE2 3.44Å; R73-Y77 VanDerWaalsContact CG-CE2 3.44Å; R73-Y77 VanDerWaalsContact O-CB 3.31Å; R73-Y77 WeakPolarHBondContact O-CB 3.28Å; R73-Y77 WeakPolarHBondContact O-CD2 3.34Å; R73-Y77 PolarHBondContact O-N 2.69Å
74	Q	40.7	Very low	37.4	Very low	114 Å²	114	74.8 Å²	74.8	53%	0.533	37%	0.366	S	S	.	.	H	α-helix	trans	-64.7	-43.7	172.6	-71.7	-173.6	-8.3	0	0	112.7	E70 F72 I76 Y77 N78	E70-Q74 PolarHBondContact O-N 3.48Å; F72-Q74 VanDerWaalsContact C-N 3.25Å; F72-Q74 PolarHBondContact O-N 3.32Å; Q74-I76 PolarHBondContact O-N 2.73Å; Q74-Y77 PolarHBondContact O-N 2.76Å; Q74-N78 VanDerWaalsContact O-CB 3.28Å; Q74-N78 WeakPolarHBondContact O-CB 3.16Å; Q74-N78 PolarHBondContact O-N 3.33Å; Q74-N78 PolarHBondContact O-ND2 3.26Å
75	L	36.9	Very low	37.6	Very low	62 Å²	62	73.4 Å²	73.4	33%	0.325	36%	0.362	S	S	.	.	H	α-helix	trans	-61.8	-44.3	177	-167.9	78.9	0	0	0	111.5	P71 F72 N78 I79	P71-L75 PolarHBondContact O-N 3.31Å; F72-L75 HydrophobicContact CD1-CD2 4.27Å; F72-L75 HydrophobicContact CE1-CD2 3.95Å; F72-L75 HydrophobicContact CZ-CD2 4.26Å; F72-L75 PolarHBondContact O-N 2.78Å; L75-N78 PolarHBondContact O-N 2.87Å; L75-I79 HydrophobicContact CD2-CD1 3.99Å; L75-I79 HydrophobicContact CG-CD1 3.73Å; L75-I79 HydrophobicContact CG-CG1 4.31Å; L75-I79 VanDerWaalsContact O-CB 3.26Å; L75-I79 WeakPolarHBondContact O-CB 3.33Å; L75-I79 WeakPolarHBondContact O-CD1 3.12Å; L75-I79 WeakPolarHBondContact O-CG1 3.22Å; L75-I79 PolarHBondContact O-N 2.76Å
76	I	37.4	Very low	37.7	Very low	60 Å²	60	75.6 Å²	75.6	31%	0.308	38%	0.381	S	S	.	.	H	α-helix	trans	-63.4	-49.6	174.8	-71.9	174.6	0	0	0	109.1	V68 F72 Q74 N78 I79 L80	V68-I76 HydrophobicContact CB-CD1 4.24Å; V68-I76 HydrophobicContact CG1-CD1 3.92Å; V68-I76 HydrophobicContact CG2-CD1 3.94Å; F72-I76 VanDerWaalsContact O-CB 3.25Å; F72-I76 WeakPolarHBondContact O-CB 3.24Å; F72-I76 VanDerWaalsContact O-CG1 3.25Å; F72-I76 WeakPolarHBondContact O-CG1 3.28Å; F72-I76 PolarHBondContact O-N 2.86Å; Q74-I76 PolarHBondContact O-N 2.73Å; I76-N78 PolarHBondContact O-N 2.83Å; I76-I79 PolarHBondContact O-N 3.39Å; I76-L80 HydrophobicContact CG2-CD1 3.35Å; I76-L80 HydrophobicContact CG2-CG 4.02Å; I76-L80 WeakPolarHBondContact O-CB 3.22Å; I76-L80 WeakPolarHBondContact O-CD1 3.17Å; I76-L80 WeakPolarHBondContact O-CG 3.3Å; I76-L80 PolarHBondContact O-N 3.38Å
77	Y	41.4	Very low	37.8	Very low	57 Å²	57	70.9 Å²	70.9	22%	0.224	36%	0.358	C	S	.	.	H	α-helix	trans	-54.4	-41	174.5	-82.2	-57	0	0	0	112.1	I58 R73 Q74 L80 W81	I58-Y77 HydrophobicContact CG1-CE1 4.33Å; R73-Y77 HydrophobicContact CG-CD2 3.78Å; R73-Y77 HydrophobicContact CG-CE2 3.44Å; R73-Y77 VanDerWaalsContact CG-CE2 3.44Å; R73-Y77 VanDerWaalsContact O-CB 3.31Å; R73-Y77 WeakPolarHBondContact O-CB 3.28Å; R73-Y77 WeakPolarHBondContact O-CD2 3.34Å; R73-Y77 PolarHBondContact O-N 2.69Å; Q74-Y77 PolarHBondContact O-N 2.76Å; Y77-L80 CarbonylContact O-C 3.53Å; Y77-L80 PolarHBondContact O-N 2.72Å; Y77-W81 WeakPolarHBondContact O-CB 3.49Å; Y77-W81 PolarHBondContact O-N 3.13Å
78	N	41.3	Very low	38.2	Very low	57 Å²	57	63.3 Å²	63.3	31%	0.305	32%	0.323	S	S	.	.	H	α-helix	trans	-76.7	-41.6	-179.1	-68.9	-19.3	0	0	0	113.2	Q74 L75 I76 L80 W81 M191	Q74-N78 VanDerWaalsContact O-CB 3.28Å; Q74-N78 WeakPolarHBondContact O-CB 3.16Å; Q74-N78 PolarHBondContact O-N 3.33Å; Q74-N78 PolarHBondContact O-ND2 3.26Å; L75-N78 PolarHBondContact O-N 2.87Å; I76-N78 PolarHBondContact O-N 2.83Å; N78-L80 PolarHBondContact O-N 2.95Å; N78-W81 WeakPolarHBondContact O-CB 3.37Å; N78-W81 PolarHBondContact O-N 2.95Å; N78-M191 VanDerWaalsContact ND2-CG 3.32Å; N78-M191 WeakPolarHBondContact ND2-CG 3.43Å; N78-M191 PolarHBondContact ND2-SD 3.43Å
79	I	35.1	Very low	38.7	Very low	57 Å²	57	66 Å²	66	29%	0.292	34%	0.337	S	S	.	.	H	α-helix	trans	-59	-38.8	171.1	-72.2	167.3	0	0	0	109.4	L75 I76 P83 W183	L75-I79 HydrophobicContact CD2-CD1 3.99Å; L75-I79 HydrophobicContact CG-CD1 3.73Å; L75-I79 HydrophobicContact CG-CG1 4.31Å; L75-I79 VanDerWaalsContact O-CB 3.26Å; L75-I79 WeakPolarHBondContact O-CB 3.33Å; L75-I79 WeakPolarHBondContact O-CD1 3.12Å; L75-I79 WeakPolarHBondContact O-CG1 3.22Å; L75-I79 PolarHBondContact O-N 2.76Å; I76-I79 PolarHBondContact O-N 3.39Å; I79-P83 WeakPolarHBondContact O-CD 3.05Å; I79-P83 WeakPolarHBondContact O-CG 3.46Å; I79-W183 HydrophobicContact CG1-CH2 4.28Å
80	L	39.1	Very low	38.8	Very low	17 Å²	17	64.3 Å²	64.3	9%	0.089	33%	0.326	C	S	.	.	H	α-helix	trans	-77.3	-27.9	178.5	-66.4	171.4	0	0	0	111.9	L61 I76 Y77 N78 K82 P83 Q84 Y144	L61-L80 HydrophobicContact CD1-CD1 3.66Å; L61-L80 HydrophobicContact CD2-CD1 4.09Å; L61-L80 HydrophobicContact CG-CD1 4.46Å; I76-L80 HydrophobicContact CG2-CD1 3.35Å; I76-L80 HydrophobicContact CG2-CG 4.02Å; I76-L80 WeakPolarHBondContact O-CB 3.22Å; I76-L80 WeakPolarHBondContact O-CD1 3.17Å; I76-L80 WeakPolarHBondContact O-CG 3.3Å; I76-L80 PolarHBondContact O-N 3.38Å; Y77-L80 CarbonylContact O-C 3.53Å; Y77-L80 PolarHBondContact O-N 2.72Å; N78-L80 PolarHBondContact O-N 2.95Å; L80-K82 PolarHBondContact O-N 2.78Å; L80-P83 VanDerWaalsContact O-CD 3.29Å; L80-P83 WeakPolarHBondContact O-CD 3.3Å; L80-Q84 VanDerWaalsContact C-CD 3.5Å; L80-Q84 HydrophobicContact CB-CG 4.07Å; L80-Q84 WeakPolarHBondContact O-CA 3.2Å; L80-Q84 WeakPolarHBondContact O-CB 3.39Å; L80-Q84 VanDerWaalsContact O-CD 3.28Å; L80-Q84 WeakPolarHBondContact O-CG 3.39Å; L80-Q84 PolarHBondContact O-N 3.07Å; L80-Q84 PolarHBondContact O-OE1 3.35Å; L80-Y144 HydrophobicContact CD2-CE1 3.62Å; L80-Y144 HydrophobicContact CD2-CE2 4.19Å; L80-Y144 VanDerWaalsContact CD2-CZ 3.41Å; L80-Y144 WeakPolarHBondContact CD2-OH 3.35Å
81	W	41.2	Very low	38.8	Very low	97 Å²	97	60.4 Å²	60.4	37%	0.367	31%	0.309	S	S	.	.	H	α-helix	trans	-54.4	-49.2	-173.4	-171.1	-100.1	0	0	0	113.2	E54 Y77 N78 Q84 M85	E54-W81 HydrophobicContact CG-CH2 4.03Å; E54-W81 HydrophobicContact CG-CZ3 3.96Å; Y77-W81 WeakPolarHBondContact O-CB 3.49Å; Y77-W81 PolarHBondContact O-N 3.13Å; N78-W81 WeakPolarHBondContact O-CB 3.37Å; N78-W81 PolarHBondContact O-N 2.95Å; W81-Q84 WeakPolarHBondContact O-CB 3.39Å; W81-Q84 PolarHBondContact O-N 3.13Å; W81-M85 HydrophobicContact CZ2-CE 3.69Å; W81-M85 WeakPolarHBondContact O-CB 3.18Å; W81-M85 VanDerWaalsContact O-CG 3.23Å; W81-M85 WeakPolarHBondContact O-CG 3.38Å; W81-M85 PolarHBondContact O-N 3.22Å
82	K	42.3	Very low	39.1	Very low	116 Å²	116	59.2 Å²	59.2	50%	0.504	30%	0.297	S	S	.	.	H	α-helix	trans	-69.2	-48.3	-180	-82.6	-176.4	178.8	176.5	0	113.4	L80 Q84 M85 A86	L80-K82 PolarHBondContact O-N 2.78Å; K82-Q84 VanDerWaalsContact C-N 3.27Å; K82-Q84 PolarHBondContact O-N 3.27Å; K82-M85 PolarHBondContact O-N 3.06Å; K82-A86 WeakPolarHBondContact O-CB 3.33Å; K82-A86 PolarHBondContact O-N 3Å
83	P	37.1	Very low	39.4	Very low	58 Å²	58	62.6 Å²	62.6	38%	0.377	31%	0.312	S	S	.	.	H	α-helix	trans	-59.1	-36.1	171.2	-25.3	33.1	0	0	0	113.5	I79 L80 A86 F87	I79-P83 WeakPolarHBondContact O-CD 3.05Å; I79-P83 WeakPolarHBondContact O-CG 3.46Å; L80-P83 VanDerWaalsContact O-CD 3.29Å; L80-P83 WeakPolarHBondContact O-CD 3.3Å; P83-A86 PolarHBondContact O-N 2.83Å; P83-F87 VanDerWaalsContact O-CB 3.26Å; P83-F87 WeakPolarHBondContact O-CB 3.28Å; P83-F87 PolarHBondContact O-N 3.47Å
84	Q	39.1	Very low	39.3	Very low	15 Å²	15	63 Å²	63	7%	0.07	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-48	173.4	-73.7	164.7	-10.2	0	0	110.2	L57 L80 W81 K82 A86 F87 L88	L57-Q84 HydrophobicContact CD1-CB 4.14Å; L57-Q84 HydrophobicContact CD1-CG 4.25Å; L57-Q84 HydrophobicContact CD2-CB 4.04Å; L57-Q84 HydrophobicContact CD2-CG 3.56Å; L80-Q84 VanDerWaalsContact C-CD 3.5Å; L80-Q84 HydrophobicContact CB-CG 4.07Å; L80-Q84 WeakPolarHBondContact O-CA 3.2Å; L80-Q84 WeakPolarHBondContact O-CB 3.39Å; L80-Q84 VanDerWaalsContact O-CD 3.28Å; L80-Q84 WeakPolarHBondContact O-CG 3.39Å; L80-Q84 PolarHBondContact O-N 3.07Å; L80-Q84 PolarHBondContact O-OE1 3.35Å; W81-Q84 WeakPolarHBondContact O-CB 3.39Å; W81-Q84 PolarHBondContact O-N 3.13Å; K82-Q84 VanDerWaalsContact C-N 3.27Å; K82-Q84 PolarHBondContact O-N 3.27Å; Q84-A86 VanDerWaalsContact C-N 3.31Å; Q84-A86 PolarHBondContact O-N 3.42Å; Q84-F87 CarbonylContact O-C 3.51Å; Q84-F87 WeakPolarHBondContact O-CB 3.35Å; Q84-F87 PolarHBondContact O-N 3.38Å; Q84-L88 VanDerWaalsContact O-CB 3.31Å; Q84-L88 WeakPolarHBondContact O-CB 3.28Å; Q84-L88 WeakPolarHBondContact O-CD1 3.34Å; Q84-L88 WeakPolarHBondContact O-CG 3.31Å; Q84-L88 PolarHBondContact O-N 3.37Å
85	M	41	Very low	39.2	Very low	77 Å²	77	59.6 Å²	59.6	38%	0.379	30%	0.302	S	S	.	.	H	α-helix	trans	-60.9	-39.5	174.6	-71.9	-56.8	-136.3	0	0	111.7	W81 K82 L88 D89	W81-M85 HydrophobicContact CZ2-CE 3.69Å; W81-M85 WeakPolarHBondContact O-CB 3.18Å; W81-M85 VanDerWaalsContact O-CG 3.23Å; W81-M85 WeakPolarHBondContact O-CG 3.38Å; W81-M85 PolarHBondContact O-N 3.22Å; K82-M85 PolarHBondContact O-N 3.06Å; M85-L88 PolarHBondContact O-N 2.87Å; M85-L88 HydrophobicContact SD-CD1 3.99Å; M85-D89 WeakPolarHBondContact O-CB 3.42Å; M85-D89 PolarHBondContact O-N 2.77Å
86	A	38.7	Very low	39.4	Very low	56 Å²	56	61.4 Å²	61.4	46%	0.463	31%	0.312	S	S	.	.	H	α-helix	trans	-67.3	-37.4	175.2	0	0	0	0	0	112.4	K82 P83 Q84 C90	K82-A86 WeakPolarHBondContact O-CB 3.33Å; K82-A86 PolarHBondContact O-N 3Å; P83-A86 PolarHBondContact O-N 2.83Å; Q84-A86 VanDerWaalsContact C-N 3.31Å; Q84-A86 PolarHBondContact O-N 3.42Å; A86-C90 WeakPolarHBondContact O-CB 3.46Å; A86-C90 PolarHBondContact O-N 3.38Å
87	F	38.4	Very low	39.4	Very low	31 Å²	31	63.8 Å²	63.8	14%	0.136	33%	0.326	C	S	.	.	H	α-helix	trans	-65.5	-41.4	172.8	171.1	-103.2	0	0	0	111	P83 Q84 C90 L91 I137	P83-F87 VanDerWaalsContact O-CB 3.26Å; P83-F87 WeakPolarHBondContact O-CB 3.28Å; P83-F87 PolarHBondContact O-N 3.47Å; Q84-F87 CarbonylContact O-C 3.51Å; Q84-F87 WeakPolarHBondContact O-CB 3.35Å; Q84-F87 PolarHBondContact O-N 3.38Å; F87-C90 CarbonylContact O-C 3.4Å; F87-C90 WeakPolarHBondContact O-CA 3.4Å; F87-C90 VanDerWaalsContact O-CB 3.24Å; F87-C90 WeakPolarHBondContact O-CB 3.43Å; F87-C90 PolarHBondContact O-N 2.88Å; F87-L91 HydrophobicContact CD1-CD1 4.08Å; F87-L91 HydrophobicContact CE1-CD1 3.32Å; F87-L91 HydrophobicContact CE1-CG 3.96Å; F87-L91 HydrophobicContact CE2-CD1 4.44Å; F87-L91 HydrophobicContact CE2-CD2 4.47Å; F87-L91 HydrophobicContact CE2-CG 4.24Å; F87-L91 HydrophobicContact CZ-CD1 3.49Å; F87-L91 VanDerWaalsContact CZ-CD1 3.49Å; F87-L91 HydrophobicContact CZ-CD2 4.02Å; F87-L91 HydrophobicContact CZ-CG 3.73Å; F87-L91 PolarHBondContact O-N 2.88Å; F87-I137 HydrophobicContact CE1-CG1 4.25Å; F87-I137 HydrophobicContact CE2-CB 4.27Å; F87-I137 HydrophobicContact CE2-CG1 3.49Å; F87-I137 VanDerWaalsContact CE2-CG1 3.49Å; F87-I137 HydrophobicContact CZ-CB 4.37Å; F87-I137 HydrophobicContact CZ-CD1 3.99Å; F87-I137 HydrophobicContact CZ-CG1 3.21Å
88	L	40.1	Very low	39	Very low	22 Å²	22	64.1 Å²	64.1	12%	0.115	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-48.5	176.1	-71.7	161.9	0	0	0	111.4	L53 L57 Q84 M85 C90 L91 D92	L53-L88 HydrophobicContact CD1-CD2 3.86Å; L53-L88 HydrophobicContact CD2-CD1 3.31Å; L53-L88 HydrophobicContact CD2-CD2 4.03Å; L53-L88 HydrophobicContact CD2-CG 4.19Å; L53-L88 HydrophobicContact CG-CD1 3.91Å; L53-L88 HydrophobicContact CG-CD2 3.89Å; L57-L88 HydrophobicContact CD1-CD1 4.32Å; Q84-L88 VanDerWaalsContact O-CB 3.31Å; Q84-L88 WeakPolarHBondContact O-CB 3.28Å; Q84-L88 WeakPolarHBondContact O-CD1 3.34Å; Q84-L88 WeakPolarHBondContact O-CG 3.31Å; Q84-L88 PolarHBondContact O-N 3.37Å; M85-L88 PolarHBondContact O-N 2.87Å; M85-L88 HydrophobicContact SD-CD1 3.99Å; L88-C90 PolarHBondContact O-N 3.42Å; L88-L91 HydrophobicContact CD2-CD1 4.44Å; L88-L91 CarbonylContact O-C 3.49Å; L88-L91 WeakPolarHBondContact O-CA 3.25Å; L88-L91 WeakPolarHBondContact O-CB 3.26Å; L88-L91 PolarHBondContact O-N 3.48Å; L88-D92 WeakPolarHBondContact O-CB 3.21Å; L88-D92 PolarHBondContact O-N 3.41Å
89	D	43	Very low	38.7	Very low	92 Å²	92	67.9 Å²	67.9	49%	0.492	34%	0.338	S	S	.	.	H	α-helix	trans	-54.1	-35.3	170.5	-96.3	18.5	0	0	0	111.7	M85 K93	M85-D89 WeakPolarHBondContact O-CB 3.42Å; M85-D89 PolarHBondContact O-N 2.77Å; D89-K93 WeakPolarHBondContact O-CB 3.48Å; D89-K93 VanDerWaalsContact O-CG 3.31Å; D89-K93 WeakPolarHBondContact O-CG 3.48Å; D89-K93 PolarHBondContact O-N 2.82Å
90	C	38.2	Very low	38.9	Very low	46 Å²	46	69.2 Å²	69.2	31%	0.311	36%	0.357	S	S	.	.	H	α-helix	trans	-70.5	-44.4	176.7	-136.3	0	0	0	0	111	A86 F87 L88 D92 L94	A86-C90 WeakPolarHBondContact O-CB 3.46Å; A86-C90 PolarHBondContact O-N 3.38Å; F87-C90 CarbonylContact O-C 3.4Å; F87-C90 WeakPolarHBondContact O-CA 3.4Å; F87-C90 VanDerWaalsContact O-CB 3.24Å; F87-C90 WeakPolarHBondContact O-CB 3.43Å; F87-C90 PolarHBondContact O-N 2.88Å; L88-C90 PolarHBondContact O-N 3.42Å; C90-D92 VanDerWaalsContact C-N 3.33Å; C90-L94 VanDerWaalsContact O-CB 3.3Å; C90-L94 WeakPolarHBondContact O-CB 3.07Å; C90-L94 PolarHBondContact O-N 3.22Å
91	L	37.5	Very low	38.8	Very low	21 Å²	21	72.3 Å²	72.3	11%	0.11	39%	0.385	C	S	.	.	H	α-helix	trans	-60.2	-43.8	172.3	-75.1	177.4	0	0	0	111	F87 L88 L94 F95 L133	F87-L91 HydrophobicContact CD1-CD1 4.08Å; F87-L91 HydrophobicContact CE1-CD1 3.32Å; F87-L91 HydrophobicContact CE1-CG 3.96Å; F87-L91 HydrophobicContact CE2-CD1 4.44Å; F87-L91 HydrophobicContact CE2-CD2 4.47Å; F87-L91 HydrophobicContact CE2-CG 4.24Å; F87-L91 HydrophobicContact CZ-CD1 3.49Å; F87-L91 VanDerWaalsContact CZ-CD1 3.49Å; F87-L91 HydrophobicContact CZ-CD2 4.02Å; F87-L91 HydrophobicContact CZ-CG 3.73Å; F87-L91 PolarHBondContact O-N 2.88Å; L88-L91 HydrophobicContact CD2-CD1 4.44Å; L88-L91 CarbonylContact O-C 3.49Å; L88-L91 WeakPolarHBondContact O-CA 3.25Å; L88-L91 WeakPolarHBondContact O-CB 3.26Å; L88-L91 PolarHBondContact O-N 3.48Å; L91-L94 CarbonylContact O-C 3.56Å; L91-L94 PolarHBondContact O-N 3.37Å; L91-L94 VanDerWaalsContact O-N 3.15Å; L91-F95 HydrophobicContact CB-CD2 4.34Å; L91-F95 HydrophobicContact CD2-CE2 4.18Å; L91-F95 WeakPolarHBondContact O-CB 3.09Å; L91-F95 VanDerWaalsContact O-CD2 3.25Å; L91-F95 WeakPolarHBondContact O-CD2 3.5Å; L91-F95 PolarHBondContact O-N 3.01Å; L91-L133 HydrophobicContact CD2-CD2 3.73Å
92	D	38.9	Very low	38.4	Very low	63 Å²	63	71.5 Å²	71.5	34%	0.337	39%	0.385	S	S	.	.	H	α-helix	trans	-58.9	-53.4	179.6	-135.7	31.8	0	0	0	110.4	F34 L88 C90 L94 F95 D96	F34-D92 WeakPolarHBondContact CE1-OD1 3.12Å; F34-D92 WeakPolarHBondContact CZ-OD1 3.49Å; L88-D92 WeakPolarHBondContact O-CB 3.21Å; L88-D92 PolarHBondContact O-N 3.41Å; C90-D92 VanDerWaalsContact C-N 3.33Å; D92-L94 VanDerWaalsContact C-N 3.26Å; D92-L94 PolarHBondContact O-N 2.87Å; D92-F95 PolarHBondContact O-N 3.37Å; D92-D96 WeakPolarHBondContact O-CB 3.4Å; D92-D96 PolarHBondContact O-N 2.78Å
93	K	41	Very low	38.2	Very low	134 Å²	134	71 Å²	71	58%	0.583	39%	0.388	S	S	*	.	H	α-helix	trans	-61.4	-33.2	175.4	-73	172.3	-173.6	166.9	0	112.9	D89 N97	D89-K93 WeakPolarHBondContact O-CB 3.48Å; D89-K93 VanDerWaalsContact O-CG 3.31Å; D89-K93 WeakPolarHBondContact O-CG 3.48Å; D89-K93 PolarHBondContact O-N 2.82Å; K93-N97 VanDerWaalsContact O-CB 3.32Å; K93-N97 WeakPolarHBondContact O-CB 3.1Å; K93-N97 VanDerWaalsContact O-CG 3.23Å; K93-N97 PolarHBondContact O-N 3.08Å; K93-N97 VanDerWaalsContact O-N 3.14Å; K93-N97 PolarHBondContact O-ND2 2.88Å
94	L	37.7	Very low	38.1	Very low	70 Å²	70	71.5 Å²	71.5	37%	0.366	39%	0.385	S	S	.	.	H	α-helix	trans	-74.8	-41.4	178.1	-100.2	148.3	0	0	0	112	C90 L91 D92 N97 Y98 L136	C90-L94 VanDerWaalsContact O-CB 3.3Å; C90-L94 WeakPolarHBondContact O-CB 3.07Å; C90-L94 PolarHBondContact O-N 3.22Å; L91-L94 CarbonylContact O-C 3.56Å; L91-L94 PolarHBondContact O-N 3.37Å; L91-L94 VanDerWaalsContact O-N 3.15Å; D92-L94 VanDerWaalsContact C-N 3.26Å; D92-L94 PolarHBondContact O-N 2.87Å; L94-N97 CarbonylContact O-C 3.57Å; L94-N97 PolarHBondContact O-N 3.16Å; L94-Y98 VanDerWaalsContact O-CB 3.3Å; L94-Y98 WeakPolarHBondContact O-CB 3.4Å; L94-Y98 PolarHBondContact O-N 3.22Å; L94-L136 HydrophobicContact CD1-CD1 3.57Å; L94-L136 HydrophobicContact CD1-CD2 3.32Å; L94-L136 HydrophobicContact CD1-CG 4.05Å; L94-L136 HydrophobicContact CD2-CD1 4.15Å
95	F	38.1	Very low	38	Very low	43 Å²	43	73.4 Å²	73.4	19%	0.189	40%	0.4	C	S	.	.	H	α-helix	trans	-72	-38.6	177.7	-85.4	-68	0	0	0	111.5	F34 L91 D92 N97 Y98 Y99 L133	F34-F95 HydrophobicContact CZ-CB 4.21Å; L91-F95 HydrophobicContact CB-CD2 4.34Å; L91-F95 HydrophobicContact CD2-CE2 4.18Å; L91-F95 WeakPolarHBondContact O-CB 3.09Å; L91-F95 VanDerWaalsContact O-CD2 3.25Å; L91-F95 WeakPolarHBondContact O-CD2 3.5Å; L91-F95 PolarHBondContact O-N 3.01Å; D92-F95 PolarHBondContact O-N 3.37Å; F95-N97 VanDerWaalsContact C-N 3.29Å; F95-N97 PolarHBondContact O-N 2.93Å; F95-Y98 CarbonylContact O-C 3.6Å; F95-Y98 PolarHBondContact O-N 2.77Å; F95-Y98 VanDerWaalsContact O-N 3.09Å; F95-Y99 HydrophobicContact CD1-CD2 4.49Å; F95-Y99 HydrophobicContact CD1-CE2 4.35Å; F95-Y99 WeakPolarHBondContact O-CB 3.4Å; F95-Y99 WeakPolarHBondContact O-CD2 3.31Å; F95-Y99 PolarHBondContact O-N 2.75Å; F95-L133 HydrophobicContact CZ-CD1 4.22Å
96	D	41.1	Very low	37.8	Very low	100 Å²	100	71.7 Å²	71.7	54%	0.535	40%	0.398	S	S	.	.	H	α-helix	trans	-56.6	-47.3	168.6	-85.1	-11.1	0	0	0	110.5	D92 Y98 A100	D92-D96 WeakPolarHBondContact O-CB 3.4Å; D92-D96 PolarHBondContact O-N 2.78Å; D96-Y98 VanDerWaalsContact C-N 3.31Å; D96-Y98 PolarHBondContact O-N 2.84Å; D96-A100 WeakPolarHBondContact O-CB 3.42Å; D96-A100 PolarHBondContact O-N 3.42Å
97	N	36.7	Very low	37.7	Very low	111 Å²	111	71.2 Å²	71.2	59%	0.594	39%	0.394	S	S	*	.	H	α-helix	trans	-65.1	-34.1	175.4	-79.1	-44.2	0	0	0	112.5	K93 L94 F95 A101	K93-N97 VanDerWaalsContact O-CB 3.32Å; K93-N97 WeakPolarHBondContact O-CB 3.1Å; K93-N97 VanDerWaalsContact O-CG 3.23Å; K93-N97 PolarHBondContact O-N 3.08Å; K93-N97 VanDerWaalsContact O-N 3.14Å; K93-N97 PolarHBondContact O-ND2 2.88Å; L94-N97 CarbonylContact O-C 3.57Å; L94-N97 PolarHBondContact O-N 3.16Å; F95-N97 VanDerWaalsContact C-N 3.29Å; F95-N97 PolarHBondContact O-N 2.93Å; N97-A101 WeakPolarHBondContact O-CB 3.4Å; N97-A101 PolarHBondContact O-N 2.77Å
98	Y	33.3	Very low	37.6	Very low	63 Å²	63	74 Å²	74	25%	0.247	41%	0.409	C	S	.	.	H	α-helix	trans	-75.9	-42.7	-178.9	-157.4	-83.7	0	0	0	112.1	L94 F95 D96 A101 Q102 F104	L94-Y98 VanDerWaalsContact O-CB 3.3Å; L94-Y98 WeakPolarHBondContact O-CB 3.4Å; L94-Y98 PolarHBondContact O-N 3.22Å; F95-Y98 CarbonylContact O-C 3.6Å; F95-Y98 PolarHBondContact O-N 2.77Å; F95-Y98 VanDerWaalsContact O-N 3.09Å; D96-Y98 VanDerWaalsContact C-N 3.31Å; D96-Y98 PolarHBondContact O-N 2.84Å; Y98-A101 PolarHBondContact O-N 3.09Å; Y98-Q102 HydrophobicContact CE1-CB 4.42Å; Y98-Q102 HydrophobicContact CE1-CG 4.42Å; Y98-Q102 WeakPolarHBondContact O-CA 3.5Å; Y98-Q102 WeakPolarHBondContact O-CB 3.17Å; Y98-Q102 PolarHBondContact O-N 3.44Å; Y98-F104 HydrophobicContact CE1-CD2 4.48Å; Y98-F104 HydrophobicContact CE1-CE2 4.33Å
99	Y	35.5	Very low	37.5	Very low	137 Å²	137	82.4 Å²	82.4	54%	0.537	44%	0.44	S	S	.	.	H	α-helix	trans	-69	-35.7	172.9	-89	-78	0	0	0	111.7	F95 Q102 F104	F95-Y99 HydrophobicContact CD1-CD2 4.49Å; F95-Y99 HydrophobicContact CD1-CE2 4.35Å; F95-Y99 WeakPolarHBondContact O-CB 3.4Å; F95-Y99 WeakPolarHBondContact O-CD2 3.31Å; F95-Y99 PolarHBondContact O-N 2.75Å; Y99-Q102 CarbonylContact O-C 3.55Å; Y99-Q102 VanDerWaalsContact O-O 3.06Å; Y99-F104 HydrophobicContact CD1-CB 4.36Å; Y99-F104 HydrophobicContact CE1-CB 4.07Å; Y99-F104 HydrophobicContact CE1-CG 4.35Å
100	A	39.9	Very low	37.1	Very low	85 Å²	85	81.2 Å²	81.2	70%	0.702	44%	0.442	S	S	*	.	H	α-helix	trans	-67.6	-39.2	172.1	0	0	0	0	0	111.7	D96	D96-A100 WeakPolarHBondContact O-CB 3.42Å; D96-A100 PolarHBondContact O-N 3.42Å
101	A	35.2	Very low	37.2	Very low	82 Å²	82	80.9 Å²	80.9	68%	0.678	45%	0.447	S	S	*	.	H	α-helix	trans	-80.9	-24.3	-179.7	0	0	0	0	0	113.5	N97 Y98	N97-A101 WeakPolarHBondContact O-CB 3.4Å; N97-A101 PolarHBondContact O-N 2.77Å; Y98-A101 PolarHBondContact O-N 3.09Å
102	Q	34.1	Very low	37.4	Very low	79 Å²	79	89.1 Å²	89.1	37%	0.369	49%	0.485	S	S	.	.			trans	-130.2	107.7	179.1	-63.9	-166.5	18.3	0	0	109.5	Y98 Y99 F104	Y98-Q102 HydrophobicContact CE1-CB 4.42Å; Y98-Q102 HydrophobicContact CE1-CG 4.42Å; Y98-Q102 WeakPolarHBondContact O-CA 3.5Å; Y98-Q102 WeakPolarHBondContact O-CB 3.17Å; Y98-Q102 PolarHBondContact O-N 3.44Å; Y99-Q102 CarbonylContact O-C 3.55Å; Y99-Q102 VanDerWaalsContact O-O 3.06Å; Q102-F104 PolarHBondContact O-N 2.84Å
103	D	37.9	Very low	37.6	Very low	105 Å²	105	93.8 Å²	93.8	56%	0.561	51%	0.51	S	S	*	.			trans	-52.5	83.2	153.7	-157.8	-10.4	0	0	0	107.6	S105 A106 A107	D103-S105 PolarHBondContact O-N 3.13Å; D103-S105 VanDerWaalsContact O-N 3.13Å; D103-S105 PolarHBondContact OD1-OG 3.06Å; D103-A106 HydrophobicContact CB-CB 3.73Å; D103-A106 CarbonylContact O-C 3.57Å; D103-A106 VanDerWaalsContact O-CA 3.3Å; D103-A106 WeakPolarHBondContact O-CA 3.35Å; D103-A106 VanDerWaalsContact O-CB 3.3Å; D103-A106 WeakPolarHBondContact O-CB 3.46Å; D103-A106 PolarHBondContact O-N 3.1Å; D103-A107 PolarHBondContact O-N 3.08Å
104	F	34.6	Very low	37.7	Very low	69 Å²	69	89.1 Å²	89.1	30%	0.303	50%	0.496	S	S	.	.	H	α-helix	trans	-58.7	-30	-172.6	-152.9	-91.4	0	0	0	110.1	Y98 Y99 Q102 L108 I129	Y98-F104 HydrophobicContact CE1-CD2 4.48Å; Y98-F104 HydrophobicContact CE1-CE2 4.33Å; Y99-F104 HydrophobicContact CD1-CB 4.36Å; Y99-F104 HydrophobicContact CE1-CB 4.07Å; Y99-F104 HydrophobicContact CE1-CG 4.35Å; Q102-F104 PolarHBondContact O-N 2.84Å; F104-L108 HydrophobicContact CD1-CD1 4.13Å; F104-L108 HydrophobicContact CE1-CD1 4.27Å; F104-L108 PolarHBondContact O-N 2.86Å; F104-I129 HydrophobicContact CE2-CD1 4.29Å; F104-I129 HydrophobicContact CZ-CD1 4.2Å
105	S	36.4	Very low	38.1	Very low	56 Å²	56	92.3 Å²	92.3	39%	0.392	52%	0.521	S	S	.	.	H	α-helix	trans	-64	-36.9	170.1	84.5	0	0	0	0	112.7	D103 R109	D103-S105 PolarHBondContact O-N 3.13Å; D103-S105 VanDerWaalsContact O-N 3.13Å; D103-S105 PolarHBondContact OD1-OG 3.06Å; S105-R109 WeakPolarHBondContact O-CB 3.15Å; S105-R109 WeakPolarHBondContact O-CD 3.49Å; S105-R109 WeakPolarHBondContact O-CG 3.31Å; S105-R109 PolarHBondContact O-N 2.74Å; S105-R109 VanDerWaalsContact O-N 3.1Å
106	A	38.1	Very low	38.4	Very low	40 Å²	40	93.3 Å²	93.3	33%	0.331	53%	0.531	S	S	.	.	H	α-helix	trans	-77.6	-37	177	0	0	0	0	0	112.3	D103 L108 R109 A110	D103-A106 HydrophobicContact CB-CB 3.73Å; D103-A106 CarbonylContact O-C 3.57Å; D103-A106 VanDerWaalsContact O-CA 3.3Å; D103-A106 WeakPolarHBondContact O-CA 3.35Å; D103-A106 VanDerWaalsContact O-CB 3.3Å; D103-A106 WeakPolarHBondContact O-CB 3.46Å; D103-A106 PolarHBondContact O-N 3.1Å; A106-L108 VanDerWaalsContact C-N 3.28Å; A106-L108 PolarHBondContact O-N 2.83Å; A106-R109 CarbonylContact O-C 3.55Å; A106-R109 PolarHBondContact O-N 3.31Å; A106-R109 VanDerWaalsContact O-N 3.07Å; A106-A110 WeakPolarHBondContact O-CA 3.43Å; A106-A110 WeakPolarHBondContact O-CB 3.2Å; A106-A110 PolarHBondContact O-N 2.98Å
107	A	36.4	Very low	39	Very low	46 Å²	46	91.5 Å²	91.5	38%	0.38	53%	0.526	S	S	.	.	H	α-helix	trans	-62.4	-36.6	175.1	0	0	0	0	0	112	D103	D103-A107 PolarHBondContact O-N 3.08Å
108	L	35	Very low	39.6	Very low	89 Å²	89	91.8 Å²	91.8	47%	0.466	53%	0.527	S	S	.	.	H	α-helix	trans	-74	-27.4	172.1	-78.8	162.6	0	0	0	113.2	F104 A106 E122	F104-L108 HydrophobicContact CD1-CD1 4.13Å; F104-L108 HydrophobicContact CE1-CD1 4.27Å; F104-L108 PolarHBondContact O-N 2.86Å; A106-L108 VanDerWaalsContact C-N 3.28Å; A106-L108 PolarHBondContact O-N 2.83Å; L108-E122 HydrophobicContact CD2-CG 4.27Å
109	R	38	Very low	40.2	Very low	200 Å²	200	93.1 Å²	93.1	76%	0.755	54%	0.535	S	S	*	.	H	α-helix	trans	-90.2	-19	178.3	-72.2	174.8	-169.2	-176.3	5.9	114.1	S105 A106 G111	S105-R109 WeakPolarHBondContact O-CB 3.15Å; S105-R109 WeakPolarHBondContact O-CD 3.49Å; S105-R109 WeakPolarHBondContact O-CG 3.31Å; S105-R109 PolarHBondContact O-N 2.74Å; S105-R109 VanDerWaalsContact O-N 3.1Å; A106-R109 CarbonylContact O-C 3.55Å; A106-R109 PolarHBondContact O-N 3.31Å; A106-R109 VanDerWaalsContact O-N 3.07Å; R109-G111 PolarHBondContact O-N 2.95Å
110	A	35.7	Very low	40.8	Very low	66 Å²	66	92.1 Å²	92.1	55%	0.545	54%	0.535	S	S	.	.	S	Bend	trans	-77.6	92.8	-172.2	0	0	0	0	0	111.3	A106 R121	A106-A110 WeakPolarHBondContact O-CA 3.43Å; A106-A110 WeakPolarHBondContact O-CB 3.2Å; A106-A110 PolarHBondContact O-N 2.98Å; A110-R121 PolarHBondContact O-NH1 2.8Å
111	G	39.4	Very low	41.1	Very low	40 Å²	40	92.7 Å²	92.7	41%	0.412	52%	0.519	S	S	.	.			trans	117.3	71.9	158.9	0	0	0	0	0	112.7	R109 N113 A114 R121	R109-G111 PolarHBondContact O-N 2.95Å; G111-N113 PolarHBondContact O-N 3.29Å; G111-A114 PolarHBondContact O-N 3.37Å; G111-R121 PolarHBondContact O-NH1 3.28Å
112	Q	41.8	Very low	41.6	Very low	194 Å²	194	92.1 Å²	92.1	91%	0.907	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-1.3	159.3	-75.7	-178.1	-25.6	0	0	113.7
113	N	44.6	Very low	42.2	Very low	161 Å²	161	91.9 Å²	91.9	86%	0.861	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	16.1	-175.7	-68.3	-14.9	0	0	0	114.9	G111	G111-N113 PolarHBondContact O-N 3.29Å
114	A	43.3	Very low	42.7	Very low	35 Å²	35	93.9 Å²	93.9	29%	0.289	51%	0.505	S	S	.	.			trans	-102.6	132.1	170.7	0	0	0	0	0	111	G111 V116 R121	G111-A114 PolarHBondContact O-N 3.37Å; A114-V116 PolarHBondContact O-N 2.99Å; A114-R121 VanDerWaalsContact CB-CZ 3.47Å
115	P	44.3	Very low	43.3	Very low	138 Å²	138	93.4 Å²	93.4	90%	0.896	51%	0.505	S	S	*	.			trans	-76.1	6	-173.7	31.4	-35.2	0	0	0	114	S117	P115-S117 PolarHBondContact O-N 3.41Å
116	V	46.1	Very low	43.8	Very low	64 Å²	64	93.8 Å²	93.8	39%	0.388	50%	0.503	S	S	.	.	S	Bend	trans	-80.7	118.6	174.4	-176.8	0	0	0	0	106.6	A114 L118 Q120 R121	A114-V116 PolarHBondContact O-N 2.99Å; V116-L118 PolarHBondContact O-N 2.91Å; V116-Q120 HydrophobicContact CG1-CB 3.52Å; V116-R121 HydrophobicContact CB-CG 4.34Å; V116-R121 HydrophobicContact CG1-CG 4.02Å
117	S	52.3	Low	44.3	Very low	61 Å²	61	94.3 Å²	94.3	43%	0.427	51%	0.507	S	S	.	.			trans	-46.7	137.3	176.8	66.6	0	0	0	0	109.8	P115 H119 Q120 R121	P115-S117 PolarHBondContact O-N 3.41Å; S117-H119 PolarHBondContact O-N 3.39Å; S117-Q120 PolarHBondContact O-N 3.29Å; S117-Q120 PolarHBondContact OG-N 2.99Å; S117-R121 PolarHBondContact O-N 3.45Å
118	L	49.2	Very low	44.8	Very low	117 Å²	117	97.4 Å²	97.4	61%	0.613	51%	0.512	S	S	*	.	H	α-helix	trans	-46.6	-35.6	178.2	-136.4	144	0	0	0	110.8	V116 R121 E122	V116-L118 PolarHBondContact O-N 2.91Å; L118-R121 PolarHBondContact O-N 3.27Å; L118-E122 HydrophobicContact CD2-CG 4.38Å; L118-E122 WeakPolarHBondContact CD2-OE1 3.46Å; L118-E122 WeakPolarHBondContact O-CG 3.4Å; L118-E122 PolarHBondContact O-N 3.43Å
119	H	45.7	Very low	45.3	Very low	92 Å²	92	94.9 Å²	94.9	43%	0.426	50%	0.498	S	S	.	.	H	α-helix	trans	-59.2	-48	174.4	-132.6	46.5	0	0	0	115.6	R20 S117 R121 E122 E123	R20-H119 PolarHBondContact NH1-CE1 2.92Å; R20-H119 PolarHBondContact NH1-NE2 2.89Å; R20-H119 PolarHBondContact NH2-CD2 3.15Å; R20-H119 VanDerWaalsContact NH2-CD2 3.34Å; R20-H119 PolarHBondContact NH2-CE1 3.18Å; R20-H119 VanDerWaalsContact NH2-CE1 3.25Å; R20-H119 PolarHBondContact NH2-NE2 3.39Å; S117-H119 PolarHBondContact O-N 3.39Å; H119-R121 VanDerWaalsContact C-N 3.29Å; H119-R121 PolarHBondContact O-N 3.08Å; H119-E122 IonicContact ND1-OE2 3.53Å; H119-E122 PolarHBondContact O-N 2.7Å; H119-E123 WeakPolarHBondContact O-CG 3.31Å; H119-E123 PolarHBondContact O-N 3.06Å
120	Q	48.5	Very low	45.6	Very low	115 Å²	115	87.4 Å²	87.4	54%	0.537	47%	0.472	S	S	.	.	H	α-helix	trans	-67.8	-32.5	178.5	-82.3	177.3	-19.7	0	0	111.8	V116 S117 F124	V116-Q120 HydrophobicContact CG1-CB 3.52Å; S117-Q120 PolarHBondContact O-N 3.29Å; S117-Q120 PolarHBondContact OG-N 2.99Å; Q120-F124 WeakPolarHBondContact O-CB 3.44Å; Q120-F124 PolarHBondContact O-N 3.14Å
121	R	47	Very low	46.1	Very low	97 Å²	97	87.7 Å²	87.7	37%	0.366	46%	0.462	S	S	.	.	H	α-helix	trans	-68	-45.9	173.6	-84.6	176.4	165.9	-161.8	-10.7	111.6	A110 G111 A114 V116 S117 L118 H119 E123 F124 I125	A110-R121 PolarHBondContact O-NH1 2.8Å; G111-R121 PolarHBondContact O-NH1 3.28Å; A114-R121 VanDerWaalsContact CB-CZ 3.47Å; V116-R121 HydrophobicContact CB-CG 4.34Å; V116-R121 HydrophobicContact CG1-CG 4.02Å; S117-R121 PolarHBondContact O-N 3.45Å; L118-R121 PolarHBondContact O-N 3.27Å; H119-R121 VanDerWaalsContact C-N 3.29Å; H119-R121 PolarHBondContact O-N 3.08Å; R121-E123 VanDerWaalsContact C-N 3.32Å; R121-E123 PolarHBondContact O-N 3.43Å; R121-F124 PolarHBondContact O-N 3.3Å; R121-I125 VanDerWaalsContact O-CG1 3.29Å; R121-I125 WeakPolarHBondContact O-CG1 3.44Å; R121-I125 PolarHBondContact O-N 2.89Å
122	E	45	Very low	46.4	Very low	70 Å²	70	88.9 Å²	88.9	33%	0.327	46%	0.459	S	S	.	.	H	α-helix	trans	-57.1	-45.7	173.5	-75.2	171.4	164.6	0	0	111.2	L108 L118 H119 I125 L126	L108-E122 HydrophobicContact CD2-CG 4.27Å; L118-E122 HydrophobicContact CD2-CG 4.38Å; L118-E122 WeakPolarHBondContact CD2-OE1 3.46Å; L118-E122 WeakPolarHBondContact O-CG 3.4Å; L118-E122 PolarHBondContact O-N 3.43Å; H119-E122 IonicContact ND1-OE2 3.53Å; H119-E122 PolarHBondContact O-N 2.7Å; E122-I125 PolarHBondContact O-N 2.82Å; E122-L126 WeakPolarHBondContact O-CB 3.43Å; E122-L126 WeakPolarHBondContact O-CG 3.46Å; E122-L126 PolarHBondContact O-N 2.89Å
123	E	46.8	Very low	46.5	Very low	74 Å²	74	81.7 Å²	81.7	35%	0.346	43%	0.427	S	S	.	.	H	α-helix	trans	-63.2	-42.4	177.4	-78.5	-176	170.7	0	0	113.1	R20 H119 R121 I125 L126 A127	R20-E123 IonicContact CZ-OE1 3.82Å; R20-E123 IonicContact NH2-OE1 2.82Å; R20-E123 PolarHBondContact NH2-OE1 2.82Å; H119-E123 WeakPolarHBondContact O-CG 3.31Å; H119-E123 PolarHBondContact O-N 3.06Å; R121-E123 VanDerWaalsContact C-N 3.32Å; R121-E123 PolarHBondContact O-N 3.43Å; E123-I125 VanDerWaalsContact C-N 3.34Å; E123-L126 PolarHBondContact O-N 2.94Å; E123-A127 VanDerWaalsContact O-CB 3.24Å; E123-A127 WeakPolarHBondContact O-CB 3.44Å; E123-A127 PolarHBondContact O-N 3.02Å
124	F	48.8	Very low	46.5	Very low	147 Å²	147	77 Å²	77	65%	0.645	40%	0.399	S	S	*	.	H	α-helix	trans	-64.3	-41.5	177.4	-175.6	-94.6	0	0	0	111.7	Q120 R121 K128	Q120-F124 WeakPolarHBondContact O-CB 3.44Å; Q120-F124 PolarHBondContact O-N 3.14Å; R121-F124 PolarHBondContact O-N 3.3Å; F124-K128 WeakPolarHBondContact O-CB 3.19Å; F124-K128 PolarHBondContact O-N 3.14Å
125	I	47.7	Very low	46.6	Very low	59 Å²	59	82.8 Å²	82.8	30%	0.303	41%	0.413	S	S	.	.	H	α-helix	trans	-66.5	-46.9	177.5	-68.5	168.8	0	0	0	110.3	R121 E122 E123 K128 I129	R121-I125 VanDerWaalsContact O-CG1 3.29Å; R121-I125 WeakPolarHBondContact O-CG1 3.44Å; R121-I125 PolarHBondContact O-N 2.89Å; E122-I125 PolarHBondContact O-N 2.82Å; E123-I125 VanDerWaalsContact C-N 3.34Å; I125-K128 PolarHBondContact O-N 3.4Å; I125-I129 HydrophobicContact CG2-CD1 3.75Å; I125-I129 HydrophobicContact CG2-CG1 4.41Å; I125-I129 VanDerWaalsContact O-CG1 3.31Å; I125-I129 WeakPolarHBondContact O-CG1 3.44Å; I125-I129 PolarHBondContact O-N 2.91Å
126	L	45.9	Very low	46.5	Very low	65 Å²	65	78.9 Å²	78.9	34%	0.34	38%	0.384	S	S	.	.	H	α-helix	trans	-59.1	-48.2	176.4	-85.1	161.9	0	0	0	111.9	A23 E122 E123 K128 I129 E130	A23-L126 HydrophobicContact CB-CD2 4.41Å; E122-L126 WeakPolarHBondContact O-CB 3.43Å; E122-L126 WeakPolarHBondContact O-CG 3.46Å; E122-L126 PolarHBondContact O-N 2.89Å; E123-L126 PolarHBondContact O-N 2.94Å; L126-K128 VanDerWaalsContact C-N 3.26Å; L126-K128 PolarHBondContact O-N 3.08Å; L126-I129 PolarHBondContact O-N 3.49Å; L126-E130 WeakPolarHBondContact O-CB 3.3Å; L126-E130 WeakPolarHBondContact O-CG 3.28Å; L126-E130 PolarHBondContact O-N 3.35Å
127	A	48.4	Very low	46.1	Very low	50 Å²	50	77.5 Å²	77.5	41%	0.413	37%	0.374	S	S	.	.	H	α-helix	trans	-61.8	-36.5	178.6	0	0	0	0	0	112	E123 E131	E123-A127 VanDerWaalsContact O-CB 3.24Å; E123-A127 WeakPolarHBondContact O-CB 3.44Å; E123-A127 PolarHBondContact O-N 3.02Å; A127-E131 WeakPolarHBondContact O-CB 3.11Å; A127-E131 PolarHBondContact O-N 3.36Å
128	K	47.4	Very low	45.6	Very low	111 Å²	111	77.6 Å²	77.6	48%	0.483	37%	0.368	S	S	.	.	H	α-helix	trans	-68.6	-43.6	175.3	-174	174.1	178.1	-177.6	0	111.8	F124 I125 L126 E131 D132	F124-K128 WeakPolarHBondContact O-CB 3.19Å; F124-K128 PolarHBondContact O-N 3.14Å; I125-K128 PolarHBondContact O-N 3.4Å; L126-K128 VanDerWaalsContact C-N 3.26Å; L126-K128 PolarHBondContact O-N 3.08Å; K128-E131 PolarHBondContact O-N 3.42Å; K128-D132 WeakPolarHBondContact O-CB 3.05Å; K128-D132 VanDerWaalsContact O-CG 3.3Å; K128-D132 PolarHBondContact O-N 3.45Å
129	I	45.2	Very low	45.5	Very low	36 Å²	36	80.1 Å²	80.1	19%	0.185	37%	0.374	C	S	.	.	H	α-helix	trans	-60.9	-46	174.8	-70	168.1	0	0	0	110.3	F104 I125 L126 D132 L133	F104-I129 HydrophobicContact CE2-CD1 4.29Å; F104-I129 HydrophobicContact CZ-CD1 4.2Å; I125-I129 HydrophobicContact CG2-CD1 3.75Å; I125-I129 HydrophobicContact CG2-CG1 4.41Å; I125-I129 VanDerWaalsContact O-CG1 3.31Å; I125-I129 WeakPolarHBondContact O-CG1 3.44Å; I125-I129 PolarHBondContact O-N 2.91Å; L126-I129 PolarHBondContact O-N 3.49Å; I129-D132 PolarHBondContact O-N 2.93Å; I129-L133 HydrophobicContact CG2-CD1 3.96Å; I129-L133 WeakPolarHBondContact O-CB 3.2Å; I129-L133 PolarHBondContact O-N 3.02Å
130	E	44.4	Very low	45.2	Very low	43 Å²	43	79.3 Å²	79.3	20%	0.201	37%	0.371	C	S	.	.	H	α-helix	trans	-57.3	-50.7	175	-78	179.6	177.5	0	0	111	L126 D132 L133 F134	L126-E130 WeakPolarHBondContact O-CB 3.3Å; L126-E130 WeakPolarHBondContact O-CG 3.28Å; L126-E130 PolarHBondContact O-N 3.35Å; E130-D132 PolarHBondContact O-N 3.36Å; E130-L133 PolarHBondContact O-N 3.03Å; E130-F134 WeakPolarHBondContact O-CB 3.3Å; E130-F134 WeakPolarHBondContact O-CD2 3.32Å; E130-F134 PolarHBondContact O-N 2.92Å
131	E	46.7	Very low	44.8	Very low	73 Å²	73	76.7 Å²	76.7	34%	0.341	36%	0.36	S	S	.	.	H	α-helix	trans	-61.9	-42.6	179.5	-178.2	117.1	174.5	0	0	111.9	R12 A127 K128 F134 R135	R12-E131 IonicContact NH2-OE2 3.59Å; R12-E131 PolarHBondContact NH2-OE2 3.36Å; A127-E131 WeakPolarHBondContact O-CB 3.11Å; A127-E131 PolarHBondContact O-N 3.36Å; K128-E131 PolarHBondContact O-N 3.42Å; E131-F134 PolarHBondContact O-N 2.94Å; E131-R135 WeakPolarHBondContact O-CB 3.45Å; E131-R135 WeakPolarHBondContact O-CG 3.49Å; E131-R135 PolarHBondContact O-N 2.94Å; E131-R135 IonicContact OE1-CZ 2.74Å; E131-R135 IonicContact OE1-NE 3.86Å; E131-R135 PolarHBondContact OE1-NE 3.5Å; E131-R135 IonicContact OE1-NH2 3.48Å; E131-R135 PolarHBondContact OE1-NH2 2.85Å
132	D	45.5	Very low	44.5	Very low	65 Å²	65	77.3 Å²	77.3	35%	0.348	36%	0.362	S	S	.	.	H	α-helix	trans	-64.8	-45	177.9	-73.6	-21.7	0	0	0	110.9	K128 I129 E130 R135 L136	K128-D132 WeakPolarHBondContact O-CB 3.05Å; K128-D132 VanDerWaalsContact O-CG 3.3Å; K128-D132 PolarHBondContact O-N 3.45Å; I129-D132 PolarHBondContact O-N 2.93Å; E130-D132 PolarHBondContact O-N 3.36Å; D132-R135 PolarHBondContact O-N 3.29Å; D132-L136 WeakPolarHBondContact O-CB 3.32Å; D132-L136 PolarHBondContact O-N 2.88Å
133	L	43.5	Very low	44.4	Very low	43 Å²	43	77 Å²	77	23%	0.225	37%	0.372	C	S	.	.	H	α-helix	trans	-58.1	-48.9	172.4	-105.9	149.6	0	0	0	111.5	L91 F95 I129 E130 R135 L136 I137	L91-L133 HydrophobicContact CD2-CD2 3.73Å; F95-L133 HydrophobicContact CZ-CD1 4.22Å; I129-L133 HydrophobicContact CG2-CD1 3.96Å; I129-L133 WeakPolarHBondContact O-CB 3.2Å; I129-L133 PolarHBondContact O-N 3.02Å; E130-L133 PolarHBondContact O-N 3.03Å; L133-R135 PolarHBondContact O-N 3.44Å; L133-L136 PolarHBondContact O-N 3.2Å; L133-I137 HydrophobicContact CD2-CD1 3.96Å; L133-I137 WeakPolarHBondContact O-CB 3.43Å; L133-I137 WeakPolarHBondContact O-CD1 3.35Å; L133-I137 WeakPolarHBondContact O-CG1 3.43Å; L133-I137 PolarHBondContact O-N 3.01Å
134	F	44.4	Very low	44	Very low	62 Å²	62	76 Å²	76	27%	0.272	37%	0.365	S	S	.	.	H	α-helix	trans	-62	-43.4	179.8	-90.7	-68.2	0	0	0	111.9	I8 E130 E131 L136 I137 E138	I8-F134 HydrophobicContact CD1-CD1 4.31Å; I8-F134 HydrophobicContact CG1-CD1 4.05Å; I8-F134 HydrophobicContact CG1-CE1 3.92Å; E130-F134 WeakPolarHBondContact O-CB 3.3Å; E130-F134 WeakPolarHBondContact O-CD2 3.32Å; E130-F134 PolarHBondContact O-N 2.92Å; E131-F134 PolarHBondContact O-N 2.94Å; F134-L136 VanDerWaalsContact C-N 3.3Å; F134-L136 PolarHBondContact O-N 3.1Å; F134-I137 PolarHBondContact O-N 2.94Å; F134-E138 WeakPolarHBondContact O-CB 3.3Å; F134-E138 PolarHBondContact O-N 2.89Å
135	R	46.3	Very low	43.6	Very low	156 Å²	156	72 Å²	72	59%	0.589	35%	0.349	S	S	*	.	H	α-helix	trans	-63.3	-37.3	176.2	-76.7	-179.2	-173.5	-170.7	5.7	112.1	E131 D132 L133	E131-R135 WeakPolarHBondContact O-CB 3.45Å; E131-R135 WeakPolarHBondContact O-CG 3.49Å; E131-R135 PolarHBondContact O-N 2.94Å; E131-R135 IonicContact OE1-CZ 2.74Å; E131-R135 IonicContact OE1-NE 3.86Å; E131-R135 PolarHBondContact OE1-NE 3.5Å; E131-R135 IonicContact OE1-NH2 3.48Å; E131-R135 PolarHBondContact OE1-NH2 2.85Å; D132-R135 PolarHBondContact O-N 3.29Å; L133-R135 PolarHBondContact O-N 3.44Å
136	L	41	Very low	43.4	Very low	57 Å²	57	73.5 Å²	73.5	30%	0.298	36%	0.358	S	S	.	.	H	α-helix	trans	-68.7	-45.5	178.7	-121.1	134.3	0	0	0	111.9	L94 D132 L133 F134	L94-L136 HydrophobicContact CD1-CD1 3.57Å; L94-L136 HydrophobicContact CD1-CD2 3.32Å; L94-L136 HydrophobicContact CD1-CG 4.05Å; L94-L136 HydrophobicContact CD2-CD1 4.15Å; D132-L136 WeakPolarHBondContact O-CB 3.32Å; D132-L136 PolarHBondContact O-N 2.88Å; L133-L136 PolarHBondContact O-N 3.2Å; F134-L136 VanDerWaalsContact C-N 3.3Å; F134-L136 PolarHBondContact O-N 3.1Å
137	I	39.2	Very low	43.2	Very low	34 Å²	34	75.7 Å²	75.7	17%	0.174	37%	0.37	C	S	.	.	H	α-helix	trans	-62.6	-47.4	175	-70.2	162.3	0	0	0	110.6	F87 L133 F134 K139 Q140 I141	F87-I137 HydrophobicContact CE1-CG1 4.25Å; F87-I137 HydrophobicContact CE2-CB 4.27Å; F87-I137 HydrophobicContact CE2-CG1 3.49Å; F87-I137 VanDerWaalsContact CE2-CG1 3.49Å; F87-I137 HydrophobicContact CZ-CB 4.37Å; F87-I137 HydrophobicContact CZ-CD1 3.99Å; F87-I137 HydrophobicContact CZ-CG1 3.21Å; L133-I137 HydrophobicContact CD2-CD1 3.96Å; L133-I137 WeakPolarHBondContact O-CB 3.43Å; L133-I137 WeakPolarHBondContact O-CD1 3.35Å; L133-I137 WeakPolarHBondContact O-CG1 3.43Å; L133-I137 PolarHBondContact O-N 3.01Å; F134-I137 PolarHBondContact O-N 2.94Å; I137-K139 VanDerWaalsContact C-N 3.26Å; I137-K139 PolarHBondContact O-N 3.47Å; I137-Q140 PolarHBondContact O-N 2.9Å; I137-I141 HydrophobicContact CG2-CD1 3.2Å; I137-I141 HydrophobicContact CG2-CG1 3.7Å; I137-I141 WeakPolarHBondContact O-CB 3.05Å; I137-I141 WeakPolarHBondContact O-CG1 3.37Å; I137-I141 PolarHBondContact O-N 3.36Å
138	E	42	Very low	42.8	Very low	63 Å²	63	76.7 Å²	76.7	29%	0.294	37%	0.368	S	S	.	.	H	α-helix	trans	-55.9	-41.7	-173	-175.7	-176.8	-179.1	0	0	111.4	L4 F134 R142	L4-E138 HydrophobicContact CD2-CG 4.31Å; F134-E138 WeakPolarHBondContact O-CB 3.3Å; F134-E138 PolarHBondContact O-N 2.89Å; E138-R142 WeakPolarHBondContact O-CA 3.37Å; E138-R142 WeakPolarHBondContact O-CB 3.43Å; E138-R142 PolarHBondContact O-N 3.32Å; E138-R142 IonicContact OE1-CZ 3.96Å; E138-R142 IonicContact OE1-NE 3.26Å; E138-R142 IonicContact OE1-NH2 3.02Å; E138-R142 PolarHBondContact OE1-NH2 3.44Å
139	K	45.7	Very low	42.5	Very low	171 Å²	171	75.9 Å²	75.9	74%	0.743	37%	0.369	S	S	*	.	H	α-helix	trans	-64.8	-46.3	-176.9	-169.1	179.1	-179.9	-177.1	0	112.4	I137 A143	I137-K139 VanDerWaalsContact C-N 3.26Å; I137-K139 PolarHBondContact O-N 3.47Å; K139-A143 WeakPolarHBondContact O-CB 3.42Å; K139-A143 PolarHBondContact O-N 2.65Å
140	Q	39.3	Very low	42.3	Very low	75 Å²	75	76.7 Å²	76.7	35%	0.35	38%	0.378	S	S	.	.	H	α-helix	trans	-72.3	-43.3	179.6	-66	-170.3	5.8	0	0	111.3	I137 R142 A143 Y144	I137-Q140 PolarHBondContact O-N 2.9Å; Q140-R142 VanDerWaalsContact C-N 3.29Å; Q140-R142 PolarHBondContact O-N 2.79Å; Q140-A143 PolarHBondContact O-N 2.71Å; Q140-Y144 VanDerWaalsContact O-CB 3.27Å; Q140-Y144 WeakPolarHBondContact O-CB 3.43Å; Q140-Y144 PolarHBondContact O-N 3.28Å
141	I	39.9	Very low	42	Very low	60 Å²	60	76.9 Å²	76.9	31%	0.308	38%	0.382	S	S	.	.	H	α-helix	trans	-60.5	-39.8	174.4	-69.3	-168.8	0	0	0	110.9	L4 I137 Y144 L145	L4-I141 HydrophobicContact CD1-CG2 3.99Å; I137-I141 HydrophobicContact CG2-CD1 3.2Å; I137-I141 HydrophobicContact CG2-CG1 3.7Å; I137-I141 WeakPolarHBondContact O-CB 3.05Å; I137-I141 WeakPolarHBondContact O-CG1 3.37Å; I137-I141 PolarHBondContact O-N 3.36Å; I141-Y144 CarbonylContact O-C 3.48Å; I141-Y144 WeakPolarHBondContact O-CB 3.11Å; I141-Y144 PolarHBondContact O-N 3.23Å; I141-L145 HydrophobicContact CG2-CD1 3.76Å; I141-L145 HydrophobicContact CG2-CG 4.09Å; I141-L145 WeakPolarHBondContact O-CB 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.47Å; I141-L145 PolarHBondContact O-N 3.44Å
142	R	42.4	Very low	41.6	Very low	110 Å²	110	75.5 Å²	75.5	42%	0.415	38%	0.383	S	S	.	.	H	α-helix	trans	-66.8	-47.8	178	-170.1	-177.1	-78.6	-165.4	1.4	111.1	E138 Q140 Y144 L145 D146	E138-R142 WeakPolarHBondContact O-CA 3.37Å; E138-R142 WeakPolarHBondContact O-CB 3.43Å; E138-R142 PolarHBondContact O-N 3.32Å; E138-R142 IonicContact OE1-CZ 3.96Å; E138-R142 IonicContact OE1-NE 3.26Å; E138-R142 IonicContact OE1-NH2 3.02Å; E138-R142 PolarHBondContact OE1-NH2 3.44Å; Q140-R142 VanDerWaalsContact C-N 3.29Å; Q140-R142 PolarHBondContact O-N 2.79Å; R142-Y144 PolarHBondContact O-N 2.81Å; R142-L145 PolarHBondContact O-N 3.44Å; R142-D146 VanDerWaalsContact O-CB 3.3Å; R142-D146 WeakPolarHBondContact O-CB 3.44Å; R142-D146 PolarHBondContact O-N 2.95Å
143	A	41.8	Very low	41.4	Very low	64 Å²	64	76.5 Å²	76.5	53%	0.529	39%	0.388	S	S	.	.	H	α-helix	trans	-56.7	-37.1	173.9	0	0	0	0	0	111.9	K139 Q140 L147	K139-A143 WeakPolarHBondContact O-CB 3.42Å; K139-A143 PolarHBondContact O-N 2.65Å; Q140-A143 PolarHBondContact O-N 2.71Å; A143-L147 PolarHBondContact O-N 2.82Å
144	Y	38.9	Very low	41.1	Very low	53 Å²	53	80.7 Å²	80.7	21%	0.208	40%	0.404	C	S	.	.	H	α-helix	trans	-71.2	-46.5	176.9	-179.7	-101.2	0	0	0	113.3	L80 Q140 I141 R142 D146 L147 L148	L80-Y144 HydrophobicContact CD2-CE1 3.62Å; L80-Y144 HydrophobicContact CD2-CE2 4.19Å; L80-Y144 VanDerWaalsContact CD2-CZ 3.41Å; L80-Y144 WeakPolarHBondContact CD2-OH 3.35Å; Q140-Y144 VanDerWaalsContact O-CB 3.27Å; Q140-Y144 WeakPolarHBondContact O-CB 3.43Å; Q140-Y144 PolarHBondContact O-N 3.28Å; I141-Y144 CarbonylContact O-C 3.48Å; I141-Y144 WeakPolarHBondContact O-CB 3.11Å; I141-Y144 PolarHBondContact O-N 3.23Å; R142-Y144 PolarHBondContact O-N 2.81Å; Y144-D146 VanDerWaalsContact C-N 3.28Å; Y144-D146 PolarHBondContact O-N 3.34Å; Y144-L147 VanDerWaalsContact O-CB 3.31Å; Y144-L147 WeakPolarHBondContact O-CB 3.32Å; Y144-L147 PolarHBondContact O-N 3.26Å; Y144-L147 VanDerWaalsContact O-N 3.15Å; Y144-L148 HydrophobicContact CD1-CD1 3.93Å; Y144-L148 HydrophobicContact CD1-CG 4.45Å; Y144-L148 HydrophobicContact CE1-CD1 3.28Å; Y144-L148 HydrophobicContact CE1-CG 3.98Å; Y144-L148 PolarHBondContact O-N 2.9Å
145	L	39.5	Very low	40.7	Very low	61 Å²	61	79.2 Å²	79.2	32%	0.319	40%	0.399	S	S	.	.	H	α-helix	trans	-64.9	-33.5	175.1	-74.5	174.6	0	0	0	111.6	I141 R142 L148 N149	I141-L145 HydrophobicContact CG2-CD1 3.76Å; I141-L145 HydrophobicContact CG2-CG 4.09Å; I141-L145 WeakPolarHBondContact O-CB 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.47Å; I141-L145 PolarHBondContact O-N 3.44Å; R142-L145 PolarHBondContact O-N 3.44Å; L145-L148 HydrophobicContact CD2-CD1 4.49Å; L145-L148 PolarHBondContact O-N 3.24Å; L145-N149 VanDerWaalsContact O-CB 3.27Å; L145-N149 WeakPolarHBondContact O-CB 3.5Å; L145-N149 PolarHBondContact O-N 3.2Å
146	D	44.6	Very low	40.3	Very low	92 Å²	92	79.2 Å²	79.2	49%	0.492	41%	0.406	S	S	.	.	H	α-helix	trans	-67.8	-38.5	172.9	-70.9	-21.6	0	0	0	110.9	R142 Y144 S150	R142-D146 VanDerWaalsContact O-CB 3.3Å; R142-D146 WeakPolarHBondContact O-CB 3.44Å; R142-D146 PolarHBondContact O-N 2.95Å; Y144-D146 VanDerWaalsContact C-N 3.28Å; Y144-D146 PolarHBondContact O-N 3.34Å; D146-S150 WeakPolarHBondContact O-CB 3.45Å; D146-S150 PolarHBondContact O-N 3.14Å
147	L	40.9	Very low	40.1	Very low	110 Å²	110	85 Å²	85	58%	0.576	43%	0.429	S	S	*	.	H	α-helix	trans	-61.4	-49.5	170.9	-168.5	80.9	0	0	0	110.5	A143 Y144 S150 V151	A143-L147 PolarHBondContact O-N 2.82Å; Y144-L147 VanDerWaalsContact O-CB 3.31Å; Y144-L147 WeakPolarHBondContact O-CB 3.32Å; Y144-L147 PolarHBondContact O-N 3.26Å; Y144-L147 VanDerWaalsContact O-N 3.15Å; L147-S150 WeakPolarHBondContact O-CB 3.42Å; L147-S150 PolarHBondContact O-N 3.15Å; L147-V151 WeakPolarHBondContact O-CB 3.3Å; L147-V151 WeakPolarHBondContact O-CG2 3.32Å; L147-V151 PolarHBondContact O-N 2.79Å
148	L	39.6	Very low	39.9	Very low	72 Å²	72	85.9 Å²	85.9	38%	0.377	43%	0.432	S	S	.	.	H	α-helix	trans	-63.3	-41.2	178.2	-74.9	179.3	0	0	0	112.9	Y144 L145 V151 A152	Y144-L148 HydrophobicContact CD1-CD1 3.93Å; Y144-L148 HydrophobicContact CD1-CG 4.45Å; Y144-L148 HydrophobicContact CE1-CD1 3.28Å; Y144-L148 HydrophobicContact CE1-CG 3.98Å; Y144-L148 PolarHBondContact O-N 2.9Å; L145-L148 HydrophobicContact CD2-CD1 4.49Å; L145-L148 PolarHBondContact O-N 3.24Å; L148-V151 WeakPolarHBondContact O-CB 3.36Å; L148-V151 PolarHBondContact O-N 2.76Å; L148-A152 WeakPolarHBondContact O-CB 3.48Å; L148-A152 PolarHBondContact O-N 3.26Å
149	N	41.5	Very low	39.7	Very low	93 Å²	93	87 Å²	87	50%	0.497	44%	0.441	S	S	.	.	H	α-helix	trans	-68.7	-37.8	175	-89.7	-23	0	0	0	111.5	L145 V151 A152 N153	L145-N149 VanDerWaalsContact O-CB 3.27Å; L145-N149 WeakPolarHBondContact O-CB 3.5Å; L145-N149 PolarHBondContact O-N 3.2Å; N149-V151 VanDerWaalsContact C-N 3.3Å; N149-A152 PolarHBondContact O-N 2.96Å; N149-N153 WeakPolarHBondContact O-CB 3.18Å; N149-N153 PolarHBondContact O-N 3.02Å; N149-N153 PolarHBondContact O-ND2 3.35Å
150	S	40.6	Very low	39.4	Very low	54 Å²	54	80.2 Å²	80.2	38%	0.378	41%	0.414	S	S	.	.	H	α-helix	trans	-61.8	-42.5	172.6	172.5	0	0	0	0	110.6	D146 L147 K154	D146-S150 WeakPolarHBondContact O-CB 3.45Å; D146-S150 PolarHBondContact O-N 3.14Å; L147-S150 WeakPolarHBondContact O-CB 3.42Å; L147-S150 PolarHBondContact O-N 3.15Å; S150-K154 VanDerWaalsContact O-CB 3.29Å; S150-K154 WeakPolarHBondContact O-CB 3.23Å; S150-K154 PolarHBondContact O-N 2.62Å
151	V	39.1	Very low	39.3	Very low	47 Å²	47	80.6 Å²	80.6	29%	0.285	42%	0.415	S	S	.	.	H	α-helix	trans	-57.9	-56.1	172	160.4	0	0	0	0	110.1	L147 L148 N149 N153 K154 L155 Y174	L147-V151 WeakPolarHBondContact O-CB 3.3Å; L147-V151 WeakPolarHBondContact O-CG2 3.32Å; L147-V151 PolarHBondContact O-N 2.79Å; L148-V151 WeakPolarHBondContact O-CB 3.36Å; L148-V151 PolarHBondContact O-N 2.76Å; N149-V151 VanDerWaalsContact C-N 3.3Å; V151-N153 PolarHBondContact O-N 3.01Å; V151-K154 PolarHBondContact O-N 2.75Å; V151-L155 HydrophobicContact CG1-CD1 3.69Å; V151-L155 HydrophobicContact CG1-CG 4.42Å; V151-L155 VanDerWaalsContact O-CB 3.27Å; V151-L155 WeakPolarHBondContact O-CB 3.24Å; V151-L155 WeakPolarHBondContact O-CG 3.41Å; V151-L155 PolarHBondContact O-N 3.18Å; V151-Y174 WeakPolarHBondContact CG1-OH 3.38Å; V151-Y174 WeakPolarHBondContact CG2-OH 3.42Å
152	A	38.7	Very low	39.1	Very low	43 Å²	43	79.6 Å²	79.6	36%	0.355	41%	0.413	S	S	.	.	H	α-helix	trans	-60.2	-43.8	-179.6	0	0	0	0	0	112.8	L148 N149 L155 Q156	L148-A152 WeakPolarHBondContact O-CB 3.48Å; L148-A152 PolarHBondContact O-N 3.26Å; N149-A152 PolarHBondContact O-N 2.96Å; A152-L155 PolarHBondContact O-N 2.85Å; A152-Q156 WeakPolarHBondContact O-CG 3.14Å; A152-Q156 PolarHBondContact O-N 3.14Å
153	N	40.3	Very low	38.9	Very low	86 Å²	86	76.7 Å²	76.7	46%	0.46	40%	0.402	S	S	.	.	H	α-helix	trans	-68.9	-38.5	179.5	-76.1	-30.3	0	0	0	112.4	N149 V151 K157	N149-N153 WeakPolarHBondContact O-CB 3.18Å; N149-N153 PolarHBondContact O-N 3.02Å; N149-N153 PolarHBondContact O-ND2 3.35Å; V151-N153 PolarHBondContact O-N 3.01Å; N153-K157 VanDerWaalsContact O-CG 3.31Å; N153-K157 WeakPolarHBondContact O-CG 3Å; N153-K157 PolarHBondContact O-N 2.87Å
154	K	37.7	Very low	38.6	Very low	131 Å²	131	75.1 Å²	75.1	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-74.2	-35.2	175.3	-80.7	-176.3	175.1	179.5	0	111.6	S150 V151 K157 M158	S150-K154 VanDerWaalsContact O-CB 3.29Å; S150-K154 WeakPolarHBondContact O-CB 3.23Å; S150-K154 PolarHBondContact O-N 2.62Å; V151-K154 PolarHBondContact O-N 2.75Å; K154-K157 CarbonylContact O-C 3.3Å; K154-K157 WeakPolarHBondContact O-CA 3.27Å; K154-K157 WeakPolarHBondContact O-CB 3.47Å; K154-K157 PolarHBondContact O-N 3.16Å; K154-K157 VanDerWaalsContact O-N 3.08Å; K154-M158 PolarHBondContact O-N 3.3Å
155	L	36.8	Very low	38.5	Very low	31 Å²	31	74.6 Å²	74.6	16%	0.162	39%	0.388	C	S	.	.	H	α-helix	trans	-60.6	-46.8	170.9	-74.8	171.3	0	0	0	110.2	V151 A152 K157 M158 R163 L269	V151-L155 HydrophobicContact CG1-CD1 3.69Å; V151-L155 HydrophobicContact CG1-CG 4.42Å; V151-L155 VanDerWaalsContact O-CB 3.27Å; V151-L155 WeakPolarHBondContact O-CB 3.24Å; V151-L155 WeakPolarHBondContact O-CG 3.41Å; V151-L155 PolarHBondContact O-N 3.18Å; A152-L155 PolarHBondContact O-N 2.85Å; L155-K157 PolarHBondContact O-N 3.27Å; L155-M158 HydrophobicContact CD2-SD 4.11Å; L155-M158 PolarHBondContact O-N 3.32Å; L155-R163 VanDerWaalsContact O-CZ 3.28Å; L155-R163 PolarHBondContact O-NH2 3.07Å; L155-L269 HydrophobicContact CD1-CD2 4.43Å; L155-L269 HydrophobicContact CD2-CD2 4.4Å
156	Q	36.5	Very low	38.4	Very low	157 Å²	157	78.5 Å²	78.5	73%	0.734	40%	0.399	S	S	*	.	H	α-helix	trans	-56.2	-32.8	172.7	-81.6	-175.6	-4.5	0	0	113	A152	A152-Q156 WeakPolarHBondContact O-CG 3.14Å; A152-Q156 PolarHBondContact O-N 3.14Å
157	K	36.6	Very low	37.8	Very low	179 Å²	179	76 Å²	76	78%	0.778	39%	0.388	S	S	*	.	H	α-helix	trans	-82.5	-18	177.6	-70.5	175.8	-177.5	-176.1	0	114.7	N153 K154 L155 D159	N153-K157 VanDerWaalsContact O-CG 3.31Å; N153-K157 WeakPolarHBondContact O-CG 3Å; N153-K157 PolarHBondContact O-N 2.87Å; K154-K157 CarbonylContact O-C 3.3Å; K154-K157 WeakPolarHBondContact O-CA 3.27Å; K154-K157 WeakPolarHBondContact O-CB 3.47Å; K154-K157 PolarHBondContact O-N 3.16Å; K154-K157 VanDerWaalsContact O-N 3.08Å; L155-K157 PolarHBondContact O-N 3.27Å; K157-D159 PolarHBondContact O-N 3.36Å
158	M	34.8	Very low	37.5	Very low	51 Å²	51	71.5 Å²	71.5	25%	0.251	37%	0.367	S	S	.	.	S	Bend	trans	-66.6	124.3	175.2	-81.8	-174.8	169.3	0	0	109.1	K154 L155 R163 Y174	K154-M158 PolarHBondContact O-N 3.3Å; L155-M158 HydrophobicContact CD2-SD 4.11Å; L155-M158 PolarHBondContact O-N 3.32Å; M158-R163 HydrophobicContact CB-CG 4.37Å; M158-R163 PolarHBondContact O-NE 3.21Å; M158-R163 VanDerWaalsContact O-NE 3.15Å; M158-R163 PolarHBondContact O-NH2 3.03Å; M158-Y174 HydrophobicContact CE-CD2 3.43Å; M158-Y174 VanDerWaalsContact CE-CD2 3.43Å; M158-Y174 HydrophobicContact CE-CE2 4.13Å; M158-Y174 HydrophobicContact CE-CG 3.92Å
159	D	39.6	Very low	37.5	Very low	87 Å²	87	72.2 Å²	72.2	47%	0.465	37%	0.37	S	S	.	.			trans	-62.1	148.9	168.7	75.8	12.5	0	0	0	109.8	K157 H161 S162	K157-D159 PolarHBondContact O-N 3.36Å; D159-H161 PolarHBondContact O-N 2.76Å; D159-H161 PolarHBondContact OD1-N 3.5Å; D159-S162 PolarHBondContact O-N 2.83Å; D159-S162 VanDerWaalsContact OD1-CB 3.29Å; D159-S162 WeakPolarHBondContact OD1-CB 3.04Å; D159-S162 PolarHBondContact OD1-N 3.03Å; D159-S162 PolarHBondContact OD1-OG 3.28Å
160	V	38.4	Very low	37.3	Very low	29 Å²	29	69.6 Å²	69.6	18%	0.176	36%	0.359	C	S	.	.	H	α-helix	trans	-70.2	-18.5	-175.4	-168.9	0	0	0	0	111.9	R163 L164 F270	V160-R163 HydrophobicContact CG1-CB 4.46Å; V160-R163 WeakPolarHBondContact O-CB 3.47Å; V160-R163 PolarHBondContact O-N 2.82Å; V160-R163 VanDerWaalsContact O-N 3.09Å; V160-L164 HydrophobicContact CG1-CD1 3.98Å; V160-L164 HydrophobicContact CG1-CG 4.12Å; V160-L164 PolarHBondContact O-N 2.63Å; V160-F270 HydrophobicContact CG1-CE2 4.33Å; V160-F270 HydrophobicContact CG1-CZ 4.04Å
161	H	37.2	Very low	37.2	Very low	82 Å²	82	68.4 Å²	68.4	38%	0.38	35%	0.348	S	S	.	.	H	α-helix	trans	-59.1	-48.5	172.6	-173.2	57.6	0	0	0	111	D159 R163 L164 T165	D159-H161 PolarHBondContact O-N 2.76Å; D159-H161 PolarHBondContact OD1-N 3.5Å; H161-R163 PolarHBondContact O-N 2.78Å; H161-R163 VanDerWaalsContact O-N 3.13Å; H161-L164 PolarHBondContact O-N 3.36Å; H161-T165 PolarHBondContact CE1-OG1 2.72Å; H161-T165 VanDerWaalsContact CE1-OG1 3.26Å; H161-T165 PolarHBondContact ND1-OG1 2.92Å; H161-T165 WeakPolarHBondContact O-CB 3.47Å; H161-T165 PolarHBondContact O-N 3.43Å; H161-T165 PolarHBondContact O-OG1 2.95Å
162	S	36.6	Very low	37.3	Very low	39 Å²	39	66.7 Å²	66.7	27%	0.273	34%	0.338	S	S	.	.	H	α-helix	trans	-58.6	-27.7	175.1	-54.5	0	0	0	0	112.7	D159 S170	D159-S162 PolarHBondContact O-N 2.83Å; D159-S162 VanDerWaalsContact OD1-CB 3.29Å; D159-S162 WeakPolarHBondContact OD1-CB 3.04Å; D159-S162 PolarHBondContact OD1-N 3.03Å; D159-S162 PolarHBondContact OD1-OG 3.28Å; S162-S170 VanDerWaalsContact O-CB 3.22Å; S162-S170 WeakPolarHBondContact O-CB 3.43Å; S162-S170 PolarHBondContact O-OG 2.93Å; S162-S170 VanDerWaalsContact O-OG 3.05Å
163	R	36.4	Very low	37.5	Very low	49 Å²	49	72.1 Å²	72.1	19%	0.185	35%	0.353	C	S	.	.	H	α-helix	trans	-86.6	-31.4	-176.1	-53.9	179.2	-161.1	-173.7	11.4	113.9	L155 M158 V160 H161	L155-R163 VanDerWaalsContact O-CZ 3.28Å; L155-R163 PolarHBondContact O-NH2 3.07Å; M158-R163 HydrophobicContact CB-CG 4.37Å; M158-R163 PolarHBondContact O-NE 3.21Å; M158-R163 VanDerWaalsContact O-NE 3.15Å; M158-R163 PolarHBondContact O-NH2 3.03Å; V160-R163 HydrophobicContact CG1-CB 4.46Å; V160-R163 WeakPolarHBondContact O-CB 3.47Å; V160-R163 PolarHBondContact O-N 2.82Å; V160-R163 VanDerWaalsContact O-N 3.09Å; H161-R163 PolarHBondContact O-N 2.78Å; H161-R163 VanDerWaalsContact O-N 3.13Å
164	L	35.5	Very low	37.5	Very low	32 Å²	32	71 Å²	71	17%	0.168	34%	0.343	C	S	.	.	H	α-helix	trans	-104.6	-36	-174.9	-73.9	178.9	0	0	0	114	V160 H161	V160-L164 HydrophobicContact CG1-CD1 3.98Å; V160-L164 HydrophobicContact CG1-CG 4.12Å; V160-L164 PolarHBondContact O-N 2.63Å; H161-L164 PolarHBondContact O-N 3.36Å
165	T	37.9	Very low	37.7	Very low	42 Å²	42	66.8 Å²	66.8	26%	0.258	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-27.1	-168.9	-33.6	0	0	0	0	112.4	H161 N300	H161-T165 PolarHBondContact CE1-OG1 2.72Å; H161-T165 VanDerWaalsContact CE1-OG1 3.26Å; H161-T165 PolarHBondContact ND1-OG1 2.92Å; H161-T165 WeakPolarHBondContact O-CB 3.47Å; H161-T165 PolarHBondContact O-N 3.43Å; H161-T165 PolarHBondContact O-OG1 2.95Å; T165-N300 VanDerWaalsContact CG2-ND2 3.29Å; T165-N300 WeakPolarHBondContact CG2-ND2 3.34Å; T165-N300 PolarHBondContact OG1-OD1 3.16Å
166	Y	36.8	Very low	38	Very low	142 Å²	142	67.2 Å²	67.2	56%	0.557	34%	0.339	S	S	*	.			trans	-144.1	65.1	178.4	-79.6	-81.4	0	0	0	110.1	A168 L169 S170	Y166-A168 PolarHBondContact O-N 3.04Å; Y166-A168 VanDerWaalsContact O-N 3.1Å; Y166-L169 HydrophobicContact CD1-CB 4.32Å; Y166-L169 HydrophobicContact CD1-CD1 3.64Å; Y166-L169 HydrophobicContact CE1-CD1 3.99Å; Y166-L169 PolarHBondContact O-N 3.47Å; Y166-S170 PolarHBondContact O-N 2.67Å
167	P	32.3	Very low	38.5	Very low	41 Å²	41	63.4 Å²	63.4	27%	0.266	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.3	-175.3	28.3	-35.3	0	0	0	111.6	L171 V262	P167-L171 WeakPolarHBondContact O-CB 3.36Å; P167-V262 HydrophobicContact CB-CB 4.22Å; P167-V262 HydrophobicContact CB-CG1 3.33Å; P167-V262 HydrophobicContact CB-CG2 3.86Å; P167-V262 HydrophobicContact CG-CG1 3.62Å; P167-V262 HydrophobicContact CG-CG2 4.36Å
168	A	35.7	Very low	39.2	Very low	15 Å²	15	56.6 Å²	56.6	12%	0.124	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-61.1	170.5	0	0	0	0	0	111.2	Y166 S170 L171 V172 C253 V258	Y166-A168 PolarHBondContact O-N 3.04Å; Y166-A168 VanDerWaalsContact O-N 3.1Å; A168-S170 PolarHBondContact O-N 3.21Å; A168-L171 CarbonylContact O-C 3.54Å; A168-L171 PolarHBondContact O-N 3.47Å; A168-L171 VanDerWaalsContact O-N 3.12Å; A168-V172 WeakPolarHBondContact O-CB 3.39Å; A168-V172 WeakPolarHBondContact O-CG2 3.31Å; A168-V172 PolarHBondContact O-N 2.89Å; A168-C253 HydrophobicContact CB-CB 4.11Å; A168-C253 WeakPolarHBondContact CB-SG 3.15Å; A168-V258 HydrophobicContact CB-CG1 4.45Å
169	L	37.9	Very low	40	Very low	87 Å²	87	60.5 Å²	60.5	46%	0.455	32%	0.316	S	S	.	.	H	α-helix	trans	-62.2	-43.7	-169.7	-96	147.5	0	0	0	115.2	Y166 L171 K173	Y166-L169 HydrophobicContact CD1-CB 4.32Å; Y166-L169 HydrophobicContact CD1-CD1 3.64Å; Y166-L169 HydrophobicContact CE1-CD1 3.99Å; Y166-L169 PolarHBondContact O-N 3.47Å; L169-L171 VanDerWaalsContact C-N 3.31Å; L169-K173 PolarHBondContact O-N 3.2Å; L169-K173 VanDerWaalsContact O-N 3.1Å
170	S	38.6	Very low	40.4	Very low	37 Å²	37	56.6 Å²	56.6	26%	0.259	30%	0.296	S	S	.	.	H	α-helix	trans	-68.5	-34.5	176.4	-63.8	0	0	0	0	111.6	S162 Y166 A168 Y174	S162-S170 VanDerWaalsContact O-CB 3.22Å; S162-S170 WeakPolarHBondContact O-CB 3.43Å; S162-S170 PolarHBondContact O-OG 2.93Å; S162-S170 VanDerWaalsContact O-OG 3.05Å; Y166-S170 PolarHBondContact O-N 2.67Å; A168-S170 PolarHBondContact O-N 3.21Å; S170-Y174 WeakPolarHBondContact O-CB 3.42Å; S170-Y174 PolarHBondContact O-N 3.36Å
171	L	38.5	Very low	41	Very low	29 Å²	29	55.7 Å²	55.7	15%	0.152	29%	0.29	C	S	.	.	H	α-helix	trans	-77.3	-34	-179.8	-155.4	111.2	0	0	0	111.6	P167 A168 L169 Y174 L175 I261 F265	P167-L171 WeakPolarHBondContact O-CB 3.36Å; A168-L171 CarbonylContact O-C 3.54Å; A168-L171 PolarHBondContact O-N 3.47Å; A168-L171 VanDerWaalsContact O-N 3.12Å; L169-L171 VanDerWaalsContact C-N 3.31Å; L171-Y174 PolarHBondContact O-N 2.9Å; L171-L175 HydrophobicContact CD2-CD1 3.81Å; L171-L175 HydrophobicContact CD2-CG 4.44Å; L171-L175 HydrophobicContact CG-CD1 4.38Å; L171-L175 WeakPolarHBondContact O-CB 3.26Å; L171-L175 VanDerWaalsContact O-CG 3.31Å; L171-L175 WeakPolarHBondContact O-CG 3.24Å; L171-L175 PolarHBondContact O-N 3.29Å; L171-I261 HydrophobicContact CD2-CG2 4.27Å; L171-F265 HydrophobicContact CD1-CB 4.19Å; L171-F265 HydrophobicContact CD1-CD1 3.94Å; L171-F265 HydrophobicContact CD1-CD2 4.17Å; L171-F265 HydrophobicContact CD1-CE1 4.35Å; L171-F265 HydrophobicContact CD1-CG 3.84Å; L171-F265 HydrophobicContact CD2-CD2 4.11Å; L171-F265 HydrophobicContact CD2-CE2 4.28Å
172	V	41.4	Very low	41.7	Very low	11 Å²	11	54.4 Å²	54.4	7%	0.067	28%	0.284	C	S	.	.	H	α-helix	trans	-55.8	-60.9	168.1	178.3	0	0	0	0	107.4	A168 Y174 L175 D177 F178 L181	A168-V172 WeakPolarHBondContact O-CB 3.39Å; A168-V172 WeakPolarHBondContact O-CG2 3.31Å; A168-V172 PolarHBondContact O-N 2.89Å; V172-Y174 PolarHBondContact O-N 3.22Å; V172-Y174 VanDerWaalsContact O-N 3.08Å; V172-L175 PolarHBondContact O-N 3.04Å; V172-D177 CarbonylContact O-C 3.36Å; V172-D177 WeakPolarHBondContact O-CA 2.98Å; V172-D177 PolarHBondContact O-N 3Å; V172-D177 VanDerWaalsContact O-O 3.06Å; V172-F178 HydrophobicContact CG1-CD2 3.77Å; V172-F178 HydrophobicContact CG1-CE2 3.76Å; V172-F178 HydrophobicContact CG1-CG 4.29Å; V172-F178 HydrophobicContact CG1-CZ 4.26Å; V172-L181 HydrophobicContact CB-CD1 3.92Å; V172-L181 HydrophobicContact CG1-CD1 4.38Å; V172-L181 HydrophobicContact CG2-CD1 3.33Å
173	K	41.3	Very low	42.3	Very low	157 Å²	157	57.7 Å²	57.7	68%	0.683	29%	0.29	S	S	*	.	H	α-helix	trans	-52.6	-36.6	176.6	-90.4	-178.3	175	179	0	113.1	L169 D177	L169-K173 PolarHBondContact O-N 3.2Å; L169-K173 VanDerWaalsContact O-N 3.1Å; K173-D177 WeakPolarHBondContact CA-OD1 3.49Å; K173-D177 VanDerWaalsContact CG-OD1 3.27Å; K173-D177 WeakPolarHBondContact CG-OD1 3.47Å
174	Y	41.1	Very low	42.8	Very low	63 Å²	63	56 Å²	56	25%	0.247	29%	0.287	C	S	.	.	H	α-helix	trans	-75.9	-40.2	-177.1	177.2	-98.8	0	0	0	114.6	V151 M158 S170 L171 V172 G176	V151-Y174 WeakPolarHBondContact CG1-OH 3.38Å; V151-Y174 WeakPolarHBondContact CG2-OH 3.42Å; M158-Y174 HydrophobicContact CE-CD2 3.43Å; M158-Y174 VanDerWaalsContact CE-CD2 3.43Å; M158-Y174 HydrophobicContact CE-CE2 4.13Å; M158-Y174 HydrophobicContact CE-CG 3.92Å; S170-Y174 WeakPolarHBondContact O-CB 3.42Å; S170-Y174 PolarHBondContact O-N 3.36Å; L171-Y174 PolarHBondContact O-N 2.9Å; V172-Y174 PolarHBondContact O-N 3.22Å; V172-Y174 VanDerWaalsContact O-N 3.08Å; Y174-G176 PolarHBondContact O-N 3.45Å; Y174-G176 VanDerWaalsContact O-N 3.1Å
175	L	41.6	Very low	43.6	Very low	42 Å²	42	54.5 Å²	54.5	22%	0.22	28%	0.279	C	S	.	.	H	α-helix	trans	-68.2	-5.9	177.9	-70.5	171.1	0	0	0	111.8	L171 V172 G180 L181 A184	L171-L175 HydrophobicContact CD2-CD1 3.81Å; L171-L175 HydrophobicContact CD2-CG 4.44Å; L171-L175 HydrophobicContact CG-CD1 4.38Å; L171-L175 WeakPolarHBondContact O-CB 3.26Å; L171-L175 VanDerWaalsContact O-CG 3.31Å; L171-L175 WeakPolarHBondContact O-CG 3.24Å; L171-L175 PolarHBondContact O-N 3.29Å; V172-L175 PolarHBondContact O-N 3.04Å; L175-G180 WeakPolarHBondContact O-CA 3.36Å; L175-L181 HydrophobicContact CD1-CD1 4.15Å; L175-A184 HydrophobicContact CD1-CB 4.14Å
176	G	43.4	Very low	44.2	Very low	41 Å²	41	54.5 Å²	54.5	42%	0.423	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.5	42	-172.9	0	0	0	0	0	111.1	Y174	Y174-G176 PolarHBondContact O-N 3.45Å; Y174-G176 VanDerWaalsContact O-N 3.1Å
177	D	47.8	Very low	44.6	Very low	77 Å²	77	49.4 Å²	49.4	41%	0.412	26%	0.258	S	S	.	.	H	α-helix	trans	54.8	-141	-167.9	-68.1	-53.5	0	0	0	111.7	V172 K173 D179 G180 L181	V172-D177 CarbonylContact O-C 3.36Å; V172-D177 WeakPolarHBondContact O-CA 2.98Å; V172-D177 PolarHBondContact O-N 3Å; V172-D177 VanDerWaalsContact O-O 3.06Å; K173-D177 WeakPolarHBondContact CA-OD1 3.49Å; K173-D177 VanDerWaalsContact CG-OD1 3.27Å; K173-D177 WeakPolarHBondContact CG-OD1 3.47Å; D177-D179 VanDerWaalsContact C-N 3.33Å; D177-D179 PolarHBondContact O-N 2.93Å; D177-G180 PolarHBondContact O-N 2.66Å; D177-L181 PolarHBondContact O-N 2.9Å
178	F	51	Low	45.2	Very low	35 Å²	35	48.9 Å²	48.9	15%	0.154	25%	0.251	C	S	.	.	H	α-helix	trans	-69.2	-28.7	-173.7	-80.5	-96.8	0	0	0	113.3	V172 G180 L181 K182 L205 Y208 E249	V172-F178 HydrophobicContact CG1-CD2 3.77Å; V172-F178 HydrophobicContact CG1-CE2 3.76Å; V172-F178 HydrophobicContact CG1-CG 4.29Å; V172-F178 HydrophobicContact CG1-CZ 4.26Å; F178-G180 PolarHBondContact O-N 2.88Å; F178-L181 PolarHBondContact O-N 3.34Å; F178-K182 WeakPolarHBondContact O-CB 3.2Å; F178-K182 PolarHBondContact O-N 3.39Å; F178-L205 HydrophobicContact CD1-CD2 3.61Å; F178-L205 HydrophobicContact CE1-CD2 4.06Å; F178-Y208 AromaticContact CD1-CD1 3.34Å; F178-Y208 HydrophobicContact CD1-CD1 3.34Å; F178-Y208 AromaticContact CD1-CE1 3.49Å; F178-Y208 HydrophobicContact CD1-CE1 3.49Å; F178-Y208 VanDerWaalsContact CD1-CE1 3.49Å; F178-Y208 HydrophobicContact CD1-CG 4.1Å; F178-Y208 HydrophobicContact CD2-CD1 4.11Å; F178-Y208 AromaticContact CD2-CE1 3.38Å; F178-Y208 HydrophobicContact CD2-CE1 3.38Å; F178-Y208 AromaticContact CE1-CD1 3.35Å; F178-Y208 HydrophobicContact CE1-CD1 3.35Å; F178-Y208 HydrophobicContact CE1-CD2 4.11Å; F178-Y208 AromaticContact CE1-CE1 3.33Å; F178-Y208 HydrophobicContact CE1-CE1 3.33Å; F178-Y208 HydrophobicContact CE1-CE2 4.06Å; F178-Y208 AromaticContact CE1-CG 3.76Å; F178-Y208 HydrophobicContact CE1-CG 3.76Å; F178-Y208 AromaticContact CE1-CZ 3.69Å; F178-Y208 HydrophobicContact CE2-CD1 4.1Å; F178-Y208 AromaticContact CE2-CE1 3.2Å; F178-Y208 HydrophobicContact CE2-CE1 3.2Å; F178-Y208 HydrophobicContact CE2-CE2 4.33Å; F178-Y208 AromaticContact CE2-CZ 3.33Å; F178-Y208 WeakPolarHBondContact CE2-OH 3.12Å; F178-Y208 AromaticContact CG-CD1 3.75Å; F178-Y208 HydrophobicContact CG-CD1 3.75Å; F178-Y208 AromaticContact CG-CE1 3.53Å; F178-Y208 HydrophobicContact CG-CE1 3.53Å; F178-Y208 AromaticContact CZ-CD1 3.74Å; F178-Y208 HydrophobicContact CZ-CD1 3.74Å; F178-Y208 HydrophobicContact CZ-CD2 4.25Å; F178-Y208 AromaticContact CZ-CE1 3.18Å; F178-Y208 HydrophobicContact CZ-CE1 3.18Å; F178-Y208 AromaticContact CZ-CE2 3.72Å; F178-Y208 HydrophobicContact CZ-CE2 3.72Å; F178-Y208 HydrophobicContact CZ-CG 4.25Å; F178-Y208 AromaticContact CZ-CZ 3.14Å; F178-Y208 WeakPolarHBondContact CZ-OH 3.49Å; F178-E249 HydrophobicContact CZ-CG 4.28Å
179	D	51.4	Low	45.9	Very low	134 Å²	134	48.6 Å²	48.6	72%	0.717	25%	0.247	S	C	*	.	H	α-helix	trans	-62.8	-37.1	175.3	-66.5	-32.8	0	0	0	110.9	D177 W183	D177-D179 VanDerWaalsContact C-N 3.33Å; D177-D179 PolarHBondContact O-N 2.93Å; D179-W183 WeakPolarHBondContact O-CB 3.4Å; D179-W183 PolarHBondContact O-N 2.76Å
180	G	48.3	Very low	46.2	Very low	5 Å²	5	48.2 Å²	48.2	5%	0.052	25%	0.252	C	S	.	.	H	α-helix	trans	-64.8	-44.5	173.7	0	0	0	0	0	114.6	L175 D177 F178 K182 W183 A184	L175-G180 WeakPolarHBondContact O-CA 3.36Å; D177-G180 PolarHBondContact O-N 2.66Å; F178-G180 PolarHBondContact O-N 2.88Å; G180-K182 VanDerWaalsContact C-N 3.35Å; G180-W183 PolarHBondContact O-N 3.3Å; G180-A184 PolarHBondContact O-N 2.76Å
181	L	50	Low	46.2	Very low	9 Å²	9	50.2 Å²	50.2	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-68.3	-38.4	177.4	-134.3	107.1	0	0	0	111.6	V172 L175 D177 F178 A184 A185 L205 V258	V172-L181 HydrophobicContact CB-CD1 3.92Å; V172-L181 HydrophobicContact CG1-CD1 4.38Å; V172-L181 HydrophobicContact CG2-CD1 3.33Å; L175-L181 HydrophobicContact CD1-CD1 4.15Å; D177-L181 PolarHBondContact O-N 2.9Å; F178-L181 PolarHBondContact O-N 3.34Å; L181-A184 PolarHBondContact O-N 3.21Å; L181-A185 WeakPolarHBondContact O-CB 2.99Å; L181-A185 PolarHBondContact O-N 3.05Å; L181-L205 HydrophobicContact CB-CD1 4.49Å; L181-L205 HydrophobicContact CD2-CD2 4.2Å; L181-V258 HydrophobicContact CD2-CG2 3.83Å
182	K	52.4	Low	46.6	Very low	55 Å²	55	54.8 Å²	54.8	24%	0.239	28%	0.279	C	S	.	.	H	α-helix	trans	-57	-55.7	172.5	-176.1	178.8	-178.8	166.8	0	108.9	F178 G180 A184 A185 E186 L205 E206	F178-K182 WeakPolarHBondContact O-CB 3.2Å; F178-K182 PolarHBondContact O-N 3.39Å; G180-K182 VanDerWaalsContact C-N 3.35Å; K182-A184 VanDerWaalsContact C-N 3.29Å; K182-A184 PolarHBondContact O-N 2.95Å; K182-A185 PolarHBondContact O-N 3.02Å; K182-A185 VanDerWaalsContact O-N 3.14Å; K182-E186 WeakPolarHBondContact CE-OE1 3.22Å; K182-E186 HydrophobicContact CG-CG 4.23Å; K182-E186 WeakPolarHBondContact O-CB 3.42Å; K182-E186 WeakPolarHBondContact O-CG 3.44Å; K182-E186 PolarHBondContact O-N 2.77Å; K182-L205 VanDerWaalsContact CA-CD1 3.49Å; K182-L205 HydrophobicContact CB-CD1 3.99Å; K182-E206 IonicContact NZ-OE1 3.78Å; K182-E206 PolarHBondContact NZ-OE1 3.33Å
183	W	50	Low	46.8	Very low	108 Å²	108	57.5 Å²	57.5	41%	0.409	31%	0.309	S	S	.	.	H	α-helix	trans	-53.3	-44.8	177.2	178.5	85.2	0	0	0	113	I79 D179 G180 E186 Q187	I79-W183 HydrophobicContact CG1-CH2 4.28Å; D179-W183 WeakPolarHBondContact O-CB 3.4Å; D179-W183 PolarHBondContact O-N 2.76Å; G180-W183 PolarHBondContact O-N 3.3Å; W183-E186 PolarHBondContact O-N 3.32Å; W183-Q187 HydrophobicContact CD2-CG 4.16Å; W183-Q187 HydrophobicContact CE3-CG 4.43Å; W183-Q187 HydrophobicContact CH2-CG 4.18Å; W183-Q187 HydrophobicContact CZ2-CG 3.89Å; W183-Q187 HydrophobicContact CZ3-CG 4.44Å; W183-Q187 VanDerWaalsContact O-CG 3.27Å; W183-Q187 WeakPolarHBondContact O-CG 3.06Å; W183-Q187 PolarHBondContact O-N 3.18Å; W183-Q187 PolarHBondContact O-NE2 3.43Å
184	A	46.9	Very low	47.1	Very low	14 Å²	14	52.7 Å²	52.7	12%	0.116	29%	0.293	C	S	.	.	H	α-helix	trans	-66.4	-41.4	179.2	0	0	0	0	0	113	L175 G180 L181 K182 Q187 F188 I261	L175-A184 HydrophobicContact CD1-CB 4.14Å; G180-A184 PolarHBondContact O-N 2.76Å; L181-A184 PolarHBondContact O-N 3.21Å; K182-A184 VanDerWaalsContact C-N 3.29Å; K182-A184 PolarHBondContact O-N 2.95Å; A184-Q187 PolarHBondContact O-N 2.8Å; A184-F188 PolarHBondContact O-N 2.74Å; A184-I261 HydrophobicContact CB-CD1 4.18Å
185	A	51.1	Low	47.6	Very low	1 Å²	1	52.3 Å²	52.3	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-65.5	-43.3	174.9	0	0	0	0	0	111.5	L181 K182 Q187 F188 D189 V201 L205	L181-A185 WeakPolarHBondContact O-CB 2.99Å; L181-A185 PolarHBondContact O-N 3.05Å; K182-A185 PolarHBondContact O-N 3.02Å; K182-A185 VanDerWaalsContact O-N 3.14Å; A185-Q187 VanDerWaalsContact C-N 3.26Å; A185-Q187 PolarHBondContact O-N 3.42Å; A185-F188 PolarHBondContact O-N 3.42Å; A185-F188 VanDerWaalsContact O-N 3.1Å; A185-D189 WeakPolarHBondContact O-CB 3.26Å; A185-D189 PolarHBondContact O-N 3.48Å; A185-V201 HydrophobicContact CB-CB 4.14Å; A185-V201 HydrophobicContact CB-CG1 3.52Å; A185-L205 HydrophobicContact CB-CD1 4.4Å
186	E	50.8	Low	48	Very low	41 Å²	41	54.4 Å²	54.4	19%	0.192	31%	0.31	C	S	.	.	H	α-helix	trans	-57.7	-39.7	173.8	-68.8	-177.3	170.5	0	0	111.7	K182 W183 S190 L196 V202	K182-E186 WeakPolarHBondContact CE-OE1 3.22Å; K182-E186 HydrophobicContact CG-CG 4.23Å; K182-E186 WeakPolarHBondContact O-CB 3.42Å; K182-E186 WeakPolarHBondContact O-CG 3.44Å; K182-E186 PolarHBondContact O-N 2.77Å; W183-E186 PolarHBondContact O-N 3.32Å; E186-S190 VanDerWaalsContact O-CB 3.23Å; E186-S190 WeakPolarHBondContact O-CB 3.32Å; E186-S190 PolarHBondContact O-N 2.75Å; E186-L196 HydrophobicContact CB-CD2 3.49Å; E186-L196 VanDerWaalsContact CB-CD2 3.49Å; E186-L196 HydrophobicContact CG-CD2 3.45Å; E186-L196 VanDerWaalsContact CG-CD2 3.45Å; E186-V202 HydrophobicContact CG-CG2 3.62Å
187	Q	45.5	Very low	48.8	Very low	36 Å²	36	57 Å²	57	17%	0.168	32%	0.322	C	S	.	.	H	α-helix	trans	-67.4	-44	174.6	-64.6	-30.3	-79.1	0	0	111.1	W183 A184 A185 S190 M191	W183-Q187 HydrophobicContact CD2-CG 4.16Å; W183-Q187 HydrophobicContact CE3-CG 4.43Å; W183-Q187 HydrophobicContact CH2-CG 4.18Å; W183-Q187 HydrophobicContact CZ2-CG 3.89Å; W183-Q187 HydrophobicContact CZ3-CG 4.44Å; W183-Q187 VanDerWaalsContact O-CG 3.27Å; W183-Q187 WeakPolarHBondContact O-CG 3.06Å; W183-Q187 PolarHBondContact O-N 3.18Å; W183-Q187 PolarHBondContact O-NE2 3.43Å; A184-Q187 PolarHBondContact O-N 2.8Å; A185-Q187 VanDerWaalsContact C-N 3.26Å; A185-Q187 PolarHBondContact O-N 3.42Å; Q187-S190 PolarHBondContact O-N 3.37Å; Q187-M191 VanDerWaalsContact O-CG 3.32Å; Q187-M191 WeakPolarHBondContact O-CG 3.47Å; Q187-M191 PolarHBondContact O-N 2.84Å
188	F	43.9	Very low	49.4	Very low	30 Å²	30	59 Å²	59	13%	0.132	33%	0.333	C	S	.	.	H	α-helix	trans	-61.9	-46.9	178.4	-173	-88.1	0	0	0	112.8	A184 A185 S190 M191 Q192 I257 D260	A184-F188 PolarHBondContact O-N 2.74Å; A185-F188 PolarHBondContact O-N 3.42Å; A185-F188 VanDerWaalsContact O-N 3.1Å; F188-S190 VanDerWaalsContact C-N 3.34Å; F188-S190 PolarHBondContact O-N 3.26Å; F188-M191 HydrophobicContact CB-CE 4.24Å; F188-M191 HydrophobicContact CD2-CE 3.91Å; F188-M191 HydrophobicContact CG-CE 4.39Å; F188-M191 WeakPolarHBondContact O-CB 3.23Å; F188-M191 PolarHBondContact O-N 2.82Å; F188-M191 VanDerWaalsContact O-N 3.09Å; F188-Q192 HydrophobicContact CD1-CG 4.08Å; F188-Q192 HydrophobicContact CE1-CG 3.69Å; F188-Q192 HydrophobicContact CZ-CG 4.23Å; F188-Q192 PolarHBondContact O-N 3.11Å; F188-I257 HydrophobicContact CB-CG2 4.05Å; F188-I257 HydrophobicContact CD1-CB 4.24Å; F188-I257 HydrophobicContact CD1-CD1 4.1Å; F188-I257 HydrophobicContact CD1-CG1 3.75Å; F188-I257 HydrophobicContact CD1-CG2 3.64Å; F188-I257 HydrophobicContact CE1-CB 4.4Å; F188-I257 HydrophobicContact CE1-CD1 4.35Å; F188-I257 HydrophobicContact CE1-CG1 3.7Å; F188-I257 HydrophobicContact CE1-CG2 4.25Å; F188-I257 HydrophobicContact CG-CG2 3.86Å; F188-D260 HydrophobicContact CE2-CB 4.39Å; F188-D260 HydrophobicContact CZ-CB 4.49Å
189	D	50.2	Low	49.4	Very low	9 Å²	9	57.3 Å²	57.3	5%	0.048	33%	0.326	C	S	.	.	H	α-helix	trans	-65.3	-39.2	178.1	-74.1	-35.4	0	0	0	111.5	A185 M191 Q192 G193 V194 S199 I257	A185-D189 WeakPolarHBondContact O-CB 3.26Å; A185-D189 PolarHBondContact O-N 3.48Å; D189-M191 VanDerWaalsContact C-N 3.26Å; D189-M191 PolarHBondContact O-N 3.48Å; D189-Q192 CarbonylContact O-C 3.57Å; D189-Q192 PolarHBondContact O-N 2.91Å; D189-Q192 VanDerWaalsContact O-N 3.11Å; D189-G193 PolarHBondContact O-N 3.37Å; D189-G193 VanDerWaalsContact O-N 3.1Å; D189-V194 CarbonylContact C-O 3.5Å; D189-V194 HydrophobicContact CB-CB 3.99Å; D189-V194 HydrophobicContact CB-CG1 4.34Å; D189-V194 PolarHBondContact O-N 3.34Å; D189-S199 WeakPolarHBondContact OD2-CB 3.46Å; D189-S199 PolarHBondContact OD2-OG 3.09Å; D189-I257 VanDerWaalsContact OD1-CD1 3.23Å; D189-I257 WeakPolarHBondContact OD1-CD1 3.21Å
190	S	45.4	Very low	49.8	Very low	78 Å²	78	55.6 Å²	55.6	55%	0.545	32%	0.319	S	S	.	.	H	α-helix	trans	-59.6	-36.3	171.4	-173.6	0	0	0	0	112.3	E186 Q187 F188 G193	E186-S190 VanDerWaalsContact O-CB 3.23Å; E186-S190 WeakPolarHBondContact O-CB 3.32Å; E186-S190 PolarHBondContact O-N 2.75Å; Q187-S190 PolarHBondContact O-N 3.37Å; F188-S190 VanDerWaalsContact C-N 3.34Å; F188-S190 PolarHBondContact O-N 3.26Å; S190-G193 PolarHBondContact O-N 3.48Å
191	M	38.4	Very low	50	Low	79 Å²	79	55.5 Å²	55.5	39%	0.389	32%	0.318	S	S	.	.	H	α-helix	trans	-68.2	-35.9	174.8	-70.1	-172.4	-66.6	0	0	112.4	N78 Q187 F188 D189 G193	N78-M191 VanDerWaalsContact ND2-CG 3.32Å; N78-M191 WeakPolarHBondContact ND2-CG 3.43Å; N78-M191 PolarHBondContact ND2-SD 3.43Å; Q187-M191 VanDerWaalsContact O-CG 3.32Å; Q187-M191 WeakPolarHBondContact O-CG 3.47Å; Q187-M191 PolarHBondContact O-N 2.84Å; F188-M191 HydrophobicContact CB-CE 4.24Å; F188-M191 HydrophobicContact CD2-CE 3.91Å; F188-M191 HydrophobicContact CG-CE 4.39Å; F188-M191 WeakPolarHBondContact O-CB 3.23Å; F188-M191 PolarHBondContact O-N 2.82Å; F188-M191 VanDerWaalsContact O-N 3.09Å; D189-M191 VanDerWaalsContact C-N 3.26Å; D189-M191 PolarHBondContact O-N 3.48Å; M191-G193 PolarHBondContact O-N 2.94Å
192	Q	47.7	Very low	50.4	Low	125 Å²	125	55.4 Å²	55.4	58%	0.584	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-0.8	177	-63.5	-65.3	-15.5	0	0	113	F188 D189 V194	F188-Q192 HydrophobicContact CD1-CG 4.08Å; F188-Q192 HydrophobicContact CE1-CG 3.69Å; F188-Q192 HydrophobicContact CZ-CG 4.23Å; F188-Q192 PolarHBondContact O-N 3.11Å; D189-Q192 CarbonylContact O-C 3.57Å; D189-Q192 PolarHBondContact O-N 2.91Å; D189-Q192 VanDerWaalsContact O-N 3.11Å; Q192-V194 HydrophobicContact CB-CG2 3.99Å; Q192-V194 PolarHBondContact O-N 3.24Å
193	G	43.7	Very low	50.9	Low	69 Å²	69	56.2 Å²	56.2	71%	0.711	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	18.3	-175.9	0	0	0	0	0	113.7	D189 S190 M191	D189-G193 PolarHBondContact O-N 3.37Å; D189-G193 VanDerWaalsContact O-N 3.1Å; S190-G193 PolarHBondContact O-N 3.48Å; M191-G193 PolarHBondContact O-N 2.94Å
194	V	47.5	Very low	51.3	Low	55 Å²	55	53.5 Å²	53.5	33%	0.333	32%	0.318	S	S	.	.			trans	-84.5	126.2	176.5	179.3	0	0	0	0	108.3	D189 Q192 N198	D189-V194 CarbonylContact C-O 3.5Å; D189-V194 HydrophobicContact CB-CB 3.99Å; D189-V194 HydrophobicContact CB-CG1 4.34Å; D189-V194 PolarHBondContact O-N 3.34Å; Q192-V194 HydrophobicContact CB-CG2 3.99Å; Q192-V194 PolarHBondContact O-N 3.24Å; V194-N198 HydrophobicContact CG1-CB 4.31Å
195	S	52	Low	51.7	Low	55 Å²	55	53 Å²	53	39%	0.385	31%	0.314	S	S	.	.			trans	-65.5	143.6	173.9	77.5	0	0	0	0	110.2	S197 N198 S199	S195-S197 PolarHBondContact O-N 3.46Å; S195-S197 VanDerWaalsContact O-N 3.16Å; S195-S197 PolarHBondContact OG-OG 3.18Å; S195-N198 WeakPolarHBondContact O-CA 3.43Å; S195-N198 PolarHBondContact O-N 2.81Å; S195-N198 PolarHBondContact OG-ND2 3.35Å; S195-S199 PolarHBondContact O-N 3.17Å
196	L	51.4	Low	52.2	Low	86 Å²	86	57.2 Å²	57.2	45%	0.45	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-54.4	-36.7	178.7	-66.7	165.2	0	0	0	112.4	E186 N198 S199	E186-L196 HydrophobicContact CB-CD2 3.49Å; E186-L196 VanDerWaalsContact CB-CD2 3.49Å; E186-L196 HydrophobicContact CG-CD2 3.45Å; E186-L196 VanDerWaalsContact CG-CD2 3.45Å; L196-N198 PolarHBondContact O-N 2.7Å; L196-S199 WeakPolarHBondContact O-CB 3.45Å; L196-S199 PolarHBondContact O-N 2.81Å; L196-S199 VanDerWaalsContact O-N 3.17Å
197	S	59.9	Low	52.8	Low	97 Å²	97	59.7 Å²	59.7	68%	0.678	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-62.4	-21.3	176.1	63.3	0	0	0	0	114.2	S195	S195-S197 PolarHBondContact O-N 3.46Å; S195-S197 VanDerWaalsContact O-N 3.16Å; S195-S197 PolarHBondContact OG-OG 3.18Å
198	N	59.8	Low	53.3	Low	117 Å²	117	58.2 Å²	58.2	63%	0.626	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-106.5	1	-178.8	-64.5	-10.5	0	0	0	112.1	V194 S195 L196 V200	V194-N198 HydrophobicContact CG1-CB 4.31Å; S195-N198 WeakPolarHBondContact O-CA 3.43Å; S195-N198 PolarHBondContact O-N 2.81Å; S195-N198 PolarHBondContact OG-ND2 3.35Å; L196-N198 PolarHBondContact O-N 2.7Å; N198-V200 PolarHBondContact O-N 3.31Å
199	S	51.8	Low	54	Low	1 Å²	1	58.9 Å²	58.9	1%	0.007	35%	0.349	C	S	.	.			trans	-71	111.9	179	170.2	0	0	0	0	110.3	D189 S195 L196 V201 V202 T203	D189-S199 WeakPolarHBondContact OD2-CB 3.46Å; D189-S199 PolarHBondContact OD2-OG 3.09Å; S195-S199 PolarHBondContact O-N 3.17Å; L196-S199 WeakPolarHBondContact O-CB 3.45Å; L196-S199 PolarHBondContact O-N 2.81Å; L196-S199 VanDerWaalsContact O-N 3.17Å; S199-V201 PolarHBondContact O-N 3.3Å; S199-V201 PolarHBondContact OG-N 3.24Å; S199-V202 PolarHBondContact O-N 3.47Å; S199-V202 WeakPolarHBondContact OG-CB 3.12Å; S199-V202 VanDerWaalsContact OG-CG2 3.28Å; S199-V202 WeakPolarHBondContact OG-CG2 3.25Å; S199-V202 PolarHBondContact OG-N 3.32Å; S199-T203 PolarHBondContact O-N 2.72Å; S199-T203 PolarHBondContact O-OG1 3.23Å
200	V	58	Low	54.7	Low	97 Å²	97	65.2 Å²	65.2	59%	0.588	38%	0.378	S	S	*	.	H	α-helix	trans	-59.4	-33.4	174.4	178	0	0	0	0	111	N198 K204	N198-V200 PolarHBondContact O-N 3.31Å; V200-K204 HydrophobicContact CG1-CD 4.46Å; V200-K204 WeakPolarHBondContact O-CB 3.21Å; V200-K204 VanDerWaalsContact O-CG 3.3Å; V200-K204 WeakPolarHBondContact O-CG 3.28Å; V200-K204 PolarHBondContact O-N 3.45Å; V200-K204 VanDerWaalsContact O-N 3.1Å
201	V	54.3	Low	55.4	Low	3 Å²	3	62.7 Å²	62.7	2%	0.018	36%	0.359	C	S	.	.	H	α-helix	trans	-76	-46.6	-178.1	178.3	0	0	0	0	110.8	A185 S199 T203 K204 L205 T255 I257	A185-V201 HydrophobicContact CB-CB 4.14Å; A185-V201 HydrophobicContact CB-CG1 3.52Å; S199-V201 PolarHBondContact O-N 3.3Å; S199-V201 PolarHBondContact OG-N 3.24Å; V201-T203 VanDerWaalsContact C-N 3.31Å; V201-T203 PolarHBondContact O-N 3.49Å; V201-K204 PolarHBondContact O-N 2.8Å; V201-L205 HydrophobicContact CG1-CD1 3.77Å; V201-L205 HydrophobicContact CG1-CG 4.22Å; V201-L205 WeakPolarHBondContact O-CB 3.39Å; V201-L205 WeakPolarHBondContact O-CG 3.3Å; V201-L205 PolarHBondContact O-N 3.25Å; V201-T255 HydrophobicContact CG2-CG2 4.26Å; V201-I257 HydrophobicContact CB-CD1 4.46Å; V201-I257 HydrophobicContact CG2-CB 4.04Å; V201-I257 HydrophobicContact CG2-CD1 3.62Å; V201-I257 HydrophobicContact CG2-CG1 4.28Å
202	V	57.7	Low	56.5	Low	7 Å²	7	63.7 Å²	63.7	4%	0.042	36%	0.361	C	S	.	.	H	α-helix	trans	-57.9	-46.7	175.7	172.3	0	0	0	0	110.3	E186 S199 K204 L205 E206	E186-V202 HydrophobicContact CG-CG2 3.62Å; S199-V202 PolarHBondContact O-N 3.47Å; S199-V202 WeakPolarHBondContact OG-CB 3.12Å; S199-V202 VanDerWaalsContact OG-CG2 3.28Å; S199-V202 WeakPolarHBondContact OG-CG2 3.25Å; S199-V202 PolarHBondContact OG-N 3.32Å; V202-K204 PolarHBondContact O-N 2.8Å; V202-L205 PolarHBondContact O-N 2.79Å; V202-L205 VanDerWaalsContact O-N 3.12Å; V202-E206 HydrophobicContact CG1-CG 4.39Å; V202-E206 WeakPolarHBondContact O-CG 3.25Å; V202-E206 PolarHBondContact O-N 3.35Å
203	T	62.2	Low	57.4	Low	72 Å²	72	62.8 Å²	62.8	44%	0.442	36%	0.36	S	S	.	.	H	α-helix	trans	-59.1	-44.5	177.3	-57	0	0	0	0	112.1	S199 V201 L205 E206 E207	S199-T203 PolarHBondContact O-N 2.72Å; S199-T203 PolarHBondContact O-OG1 3.23Å; V201-T203 VanDerWaalsContact C-N 3.31Å; V201-T203 PolarHBondContact O-N 3.49Å; T203-L205 VanDerWaalsContact C-N 3.34Å; T203-L205 PolarHBondContact O-N 3.05Å; T203-E206 PolarHBondContact O-N 2.88Å; T203-E207 PolarHBondContact O-N 2.81Å
204	K	58.3	Low	58.5	Low	51 Å²	51	64.7 Å²	64.7	22%	0.222	35%	0.348	C	S	.	.	H	α-helix	trans	-64.5	-37	175.7	-79	-176.3	174.8	-160.1	0	112.8	V200 V201 V202 Y208 L248 S251 T255	V200-K204 HydrophobicContact CG1-CD 4.46Å; V200-K204 WeakPolarHBondContact O-CB 3.21Å; V200-K204 VanDerWaalsContact O-CG 3.3Å; V200-K204 WeakPolarHBondContact O-CG 3.28Å; V200-K204 PolarHBondContact O-N 3.45Å; V200-K204 VanDerWaalsContact O-N 3.1Å; V201-K204 PolarHBondContact O-N 2.8Å; V202-K204 PolarHBondContact O-N 2.8Å; K204-Y208 WeakPolarHBondContact O-CB 3.31Å; K204-Y208 PolarHBondContact O-N 2.91Å; K204-L248 HydrophobicContact CB-CD2 4.21Å; K204-L248 HydrophobicContact CG-CD2 4.38Å; K204-S251 PolarHBondContact NZ-OG 3.39Å; K204-T255 HydrophobicContact CD-CG2 4.32Å
205	L	55.1	Low	59.2	Low	5 Å²	5	63.2 Å²	63.2	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-69.9	-35.5	177.7	-69.6	170.6	0	0	0	111.5	F178 L181 K182 A185 V201 V202 T203 A209 T252	F178-L205 HydrophobicContact CD1-CD2 3.61Å; F178-L205 HydrophobicContact CE1-CD2 4.06Å; L181-L205 HydrophobicContact CB-CD1 4.49Å; L181-L205 HydrophobicContact CD2-CD2 4.2Å; K182-L205 VanDerWaalsContact CA-CD1 3.49Å; K182-L205 HydrophobicContact CB-CD1 3.99Å; A185-L205 HydrophobicContact CB-CD1 4.4Å; V201-L205 HydrophobicContact CG1-CD1 3.77Å; V201-L205 HydrophobicContact CG1-CG 4.22Å; V201-L205 WeakPolarHBondContact O-CB 3.39Å; V201-L205 WeakPolarHBondContact O-CG 3.3Å; V201-L205 PolarHBondContact O-N 3.25Å; V202-L205 PolarHBondContact O-N 2.79Å; V202-L205 VanDerWaalsContact O-N 3.12Å; T203-L205 VanDerWaalsContact C-N 3.34Å; T203-L205 PolarHBondContact O-N 3.05Å; L205-A209 WeakPolarHBondContact O-CB 3.33Å; L205-A209 PolarHBondContact O-N 3.13Å; L205-T252 HydrophobicContact CD2-CG2 3.81Å; L205-T252 HydrophobicContact CG-CG2 4.34Å
206	E	62.7	Low	59.9	Low	89 Å²	89	62.6 Å²	62.6	42%	0.416	34%	0.338	S	S	.	.	H	α-helix	trans	-66.3	-46.8	172.5	-72.1	179.6	165.1	0	0	111.5	K182 V202 T203 Y208 A209 E210	K182-E206 IonicContact NZ-OE1 3.78Å; K182-E206 PolarHBondContact NZ-OE1 3.33Å; V202-E206 HydrophobicContact CG1-CG 4.39Å; V202-E206 WeakPolarHBondContact O-CG 3.25Å; V202-E206 PolarHBondContact O-N 3.35Å; T203-E206 PolarHBondContact O-N 2.88Å; E206-Y208 VanDerWaalsContact C-N 3.29Å; E206-Y208 PolarHBondContact O-N 3.21Å; E206-A209 PolarHBondContact O-N 3.3Å; E206-A209 VanDerWaalsContact O-N 3.12Å; E206-E210 PolarHBondContact O-N 3.19Å
207	E	62.6	Low	60.9	Low	92 Å²	92	64.7 Å²	64.7	43%	0.43	35%	0.345	S	S	.	.	H	α-helix	trans	-58.5	-41.6	174.7	-171.1	-178.1	-179.2	0	0	111.6	T203 E210 L211 L248	T203-E207 PolarHBondContact O-N 2.81Å; E207-E210 PolarHBondContact O-N 3.24Å; E207-L211 HydrophobicContact CG-CD1 4.32Å; E207-L211 WeakPolarHBondContact O-CG 3.47Å; E207-L211 PolarHBondContact O-N 3.01Å; E207-L248 HydrophobicContact CB-CD2 4.49Å; E207-L248 HydrophobicContact CG-CD1 4.05Å
208	Y	56	Low	61	Low	6 Å²	6	60.6 Å²	60.6	2%	0.024	32%	0.316	C	S	.	.	H	α-helix	trans	-61.9	-45.7	174	175.3	-87.9	0	0	0	112.4	F178 K204 E206 E210 L211 K212 V245 L248 E249	F178-Y208 AromaticContact CD1-CD1 3.34Å; F178-Y208 HydrophobicContact CD1-CD1 3.34Å; F178-Y208 AromaticContact CD1-CE1 3.49Å; F178-Y208 HydrophobicContact CD1-CE1 3.49Å; F178-Y208 VanDerWaalsContact CD1-CE1 3.49Å; F178-Y208 HydrophobicContact CD1-CG 4.1Å; F178-Y208 HydrophobicContact CD2-CD1 4.11Å; F178-Y208 AromaticContact CD2-CE1 3.38Å; F178-Y208 HydrophobicContact CD2-CE1 3.38Å; F178-Y208 AromaticContact CE1-CD1 3.35Å; F178-Y208 HydrophobicContact CE1-CD1 3.35Å; F178-Y208 HydrophobicContact CE1-CD2 4.11Å; F178-Y208 AromaticContact CE1-CE1 3.33Å; F178-Y208 HydrophobicContact CE1-CE1 3.33Å; F178-Y208 HydrophobicContact CE1-CE2 4.06Å; F178-Y208 AromaticContact CE1-CG 3.76Å; F178-Y208 HydrophobicContact CE1-CG 3.76Å; F178-Y208 AromaticContact CE1-CZ 3.69Å; F178-Y208 HydrophobicContact CE2-CD1 4.1Å; F178-Y208 AromaticContact CE2-CE1 3.2Å; F178-Y208 HydrophobicContact CE2-CE1 3.2Å; F178-Y208 HydrophobicContact CE2-CE2 4.33Å; F178-Y208 AromaticContact CE2-CZ 3.33Å; F178-Y208 WeakPolarHBondContact CE2-OH 3.12Å; F178-Y208 AromaticContact CG-CD1 3.75Å; F178-Y208 HydrophobicContact CG-CD1 3.75Å; F178-Y208 AromaticContact CG-CE1 3.53Å; F178-Y208 HydrophobicContact CG-CE1 3.53Å; F178-Y208 AromaticContact CZ-CD1 3.74Å; F178-Y208 HydrophobicContact CZ-CD1 3.74Å; F178-Y208 HydrophobicContact CZ-CD2 4.25Å; F178-Y208 AromaticContact CZ-CE1 3.18Å; F178-Y208 HydrophobicContact CZ-CE1 3.18Å; F178-Y208 AromaticContact CZ-CE2 3.72Å; F178-Y208 HydrophobicContact CZ-CE2 3.72Å; F178-Y208 HydrophobicContact CZ-CG 4.25Å; F178-Y208 AromaticContact CZ-CZ 3.14Å; F178-Y208 WeakPolarHBondContact CZ-OH 3.49Å; K204-Y208 WeakPolarHBondContact O-CB 3.31Å; K204-Y208 PolarHBondContact O-N 2.91Å; E206-Y208 VanDerWaalsContact C-N 3.29Å; E206-Y208 PolarHBondContact O-N 3.21Å; Y208-E210 VanDerWaalsContact C-N 3.32Å; Y208-E210 PolarHBondContact O-N 2.96Å; Y208-L211 PolarHBondContact O-N 3.2Å; Y208-K212 HydrophobicContact CE1-CB 4.37Å; Y208-K212 HydrophobicContact CE1-CD 3.83Å; Y208-K212 WeakPolarHBondContact O-CB 3.3Å; Y208-K212 PolarHBondContact O-N 2.86Å; Y208-V245 HydrophobicContact CD2-CG1 4.33Å; Y208-V245 HydrophobicContact CE2-CG1 3.58Å; Y208-L248 HydrophobicContact CD2-CB 4.34Å; Y208-E249 HydrophobicContact CD2-CG 4Å; Y208-E249 HydrophobicContact CE2-CG 3.32Å; Y208-E249 VanDerWaalsContact CE2-OE1 3.27Å; Y208-E249 WeakPolarHBondContact CE2-OE1 3.39Å; Y208-E249 VanDerWaalsContact CZ-OE1 3.3Å; Y208-E249 PolarHBondContact OH-OE1 3.49Å
209	A	58.8	Low	61.1	Low	44 Å²	44	60.9 Å²	60.9	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-39.5	179.6	0	0	0	0	0	111.8	L205 E206 N213	L205-A209 WeakPolarHBondContact O-CB 3.33Å; L205-A209 PolarHBondContact O-N 3.13Å; E206-A209 PolarHBondContact O-N 3.3Å; E206-A209 VanDerWaalsContact O-N 3.12Å; A209-N213 WeakPolarHBondContact O-CB 3.3Å; A209-N213 PolarHBondContact O-N 3.45Å; A209-N213 PolarHBondContact O-ND2 3.43Å
210	E	65.4	Low	61.7	Low	141 Å²	141	69 Å²	69	66%	0.659	35%	0.349	S	S	*	.	H	α-helix	trans	-62.4	-46.8	173.5	-72.6	-172.8	171.1	0	0	112.2	E206 E207 Y208 K212 N213 K214	E206-E210 PolarHBondContact O-N 3.19Å; E207-E210 PolarHBondContact O-N 3.24Å; Y208-E210 VanDerWaalsContact C-N 3.32Å; Y208-E210 PolarHBondContact O-N 2.96Å; E210-K212 PolarHBondContact O-N 2.78Å; E210-N213 PolarHBondContact O-N 2.72Å; E210-K214 PolarHBondContact O-N 3.24Å
211	L	60.7	Low	61.8	Low	26 Å²	26	71.8 Å²	71.8	14%	0.136	35%	0.348	C	S	.	.	H	α-helix	trans	-64	-41.4	178.5	-74.8	165.2	0	0	0	112	E207 Y208 N213 K214 V215 V241 D244 V245 L248	E207-L211 HydrophobicContact CG-CD1 4.32Å; E207-L211 WeakPolarHBondContact O-CG 3.47Å; E207-L211 PolarHBondContact O-N 3.01Å; Y208-L211 PolarHBondContact O-N 3.2Å; L211-N213 PolarHBondContact O-N 3.15Å; L211-K214 CarbonylContact O-C 3.59Å; L211-K214 WeakPolarHBondContact O-CA 3.27Å; L211-K214 WeakPolarHBondContact O-CB 3.1Å; L211-K214 PolarHBondContact O-N 3.26Å; L211-K214 VanDerWaalsContact O-N 3.11Å; L211-V215 WeakPolarHBondContact O-CG2 3.43Å; L211-V215 PolarHBondContact O-N 2.77Å; L211-V241 HydrophobicContact CB-CG1 4.29Å; L211-V241 HydrophobicContact CD2-CG1 3.95Å; L211-V241 WeakPolarHBondContact O-CG1 3.44Å; L211-D244 HydrophobicContact CD1-CB 4.23Å; L211-V245 HydrophobicContact CB-CG2 3.81Å; L211-L248 HydrophobicContact CD1-CD1 3.24Å
212	K	60.6	Low	61.9	Low	100 Å²	100	74.1 Å²	74.1	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-64.5	-40.3	177.1	-163.1	178.8	-172.9	172.2	0	112	Y208 E210 K214 V215 A216	Y208-K212 HydrophobicContact CE1-CB 4.37Å; Y208-K212 HydrophobicContact CE1-CD 3.83Å; Y208-K212 WeakPolarHBondContact O-CB 3.3Å; Y208-K212 PolarHBondContact O-N 2.86Å; E210-K212 PolarHBondContact O-N 2.78Å; K212-K214 VanDerWaalsContact C-N 3.29Å; K212-K214 PolarHBondContact O-N 2.8Å; K212-V215 PolarHBondContact O-N 3.41Å; K212-A216 PolarHBondContact O-N 3.18Å
213	N	66.9	Low	61.8	Low	105 Å²	105	78.2 Å²	78.2	56%	0.561	40%	0.397	S	S	*	.	H	α-helix	trans	-61.1	-39.2	171.4	-84.9	-28.8	0	0	0	111.8	A209 E210 L211 A216 Q217	A209-N213 WeakPolarHBondContact O-CB 3.3Å; A209-N213 PolarHBondContact O-N 3.45Å; A209-N213 PolarHBondContact O-ND2 3.43Å; E210-N213 PolarHBondContact O-N 2.72Å; L211-N213 PolarHBondContact O-N 3.15Å; N213-A216 PolarHBondContact O-N 2.81Å; N213-Q217 WeakPolarHBondContact O-CG 3.31Å; N213-Q217 PolarHBondContact O-N 2.87Å
214	K	67.1	Low	61.5	Low	109 Å²	109	77.8 Å²	77.8	47%	0.474	41%	0.407	S	S	.	.	H	α-helix	trans	-65	-41.1	175.6	-166.5	177.3	-178.7	180	0	112.2	E210 L211 K212 Q217 L218 V241	E210-K214 PolarHBondContact O-N 3.24Å; L211-K214 CarbonylContact O-C 3.59Å; L211-K214 WeakPolarHBondContact O-CA 3.27Å; L211-K214 WeakPolarHBondContact O-CB 3.1Å; L211-K214 PolarHBondContact O-N 3.26Å; L211-K214 VanDerWaalsContact O-N 3.11Å; K212-K214 VanDerWaalsContact C-N 3.29Å; K212-K214 PolarHBondContact O-N 2.8Å; K214-Q217 PolarHBondContact O-N 3.32Å; K214-L218 HydrophobicContact CG-CD1 4.33Å; K214-L218 VanDerWaalsContact O-CG 3.28Å; K214-L218 WeakPolarHBondContact O-CG 3.33Å; K214-L218 PolarHBondContact O-N 3.25Å; K214-V241 HydrophobicContact CB-CG1 4.42Å; K214-V241 HydrophobicContact CD-CG2 4.09Å; K214-V241 HydrophobicContact CG-CG2 4.4Å
215	V	62.2	Low	61.6	Low	24 Å²	24	77.2 Å²	77.2	15%	0.145	41%	0.406	C	S	.	.	H	α-helix	trans	-57.3	-52.1	172	177.4	0	0	0	0	110.2	L211 K212 Q217 L218 E219 V241 V245	L211-V215 WeakPolarHBondContact O-CG2 3.43Å; L211-V215 PolarHBondContact O-N 2.77Å; K212-V215 PolarHBondContact O-N 3.41Å; V215-Q217 VanDerWaalsContact C-N 3.28Å; V215-Q217 PolarHBondContact O-N 2.8Å; V215-L218 PolarHBondContact O-N 3.32Å; V215-L218 VanDerWaalsContact O-N 3.08Å; V215-E219 HydrophobicContact CG1-CG 4.2Å; V215-E219 WeakPolarHBondContact O-CG 3.43Å; V215-E219 PolarHBondContact O-N 3.05Å; V215-V241 HydrophobicContact CB-CG1 4.49Å; V215-V241 HydrophobicContact CG2-CB 3.95Å; V215-V241 HydrophobicContact CG2-CG1 3.28Å; V215-V245 HydrophobicContact CG2-CG2 4.16Å
216	A	66.5	Low	61.7	Low	42 Å²	42	85.8 Å²	85.8	35%	0.347	45%	0.451	S	S	.	.	H	α-helix	trans	-61.4	-35.5	-178.3	0	0	0	0	0	112.8	K212 N213 K220	K212-A216 PolarHBondContact O-N 3.18Å; N213-A216 PolarHBondContact O-N 2.81Å; A216-K220 WeakPolarHBondContact O-CB 3.46Å; A216-K220 WeakPolarHBondContact O-CG 3.29Å; A216-K220 PolarHBondContact O-N 3.45Å
217	Q	72	Confident	61.8	Low	131 Å²	131	83.8 Å²	83.8	61%	0.612	45%	0.447	S	S	*	.	H	α-helix	trans	-68.3	-41.2	174	-74.4	179.5	8.8	0	0	112.5	N213 K214 V215 K220 R221	N213-Q217 WeakPolarHBondContact O-CG 3.31Å; N213-Q217 PolarHBondContact O-N 2.87Å; K214-Q217 PolarHBondContact O-N 3.32Å; V215-Q217 VanDerWaalsContact C-N 3.28Å; V215-Q217 PolarHBondContact O-N 2.8Å; Q217-K220 PolarHBondContact O-N 3.08Å; Q217-R221 PolarHBondContact O-N 2.69Å
218	L	62.3	Low	62	Low	11 Å²	11	88.6 Å²	88.6	6%	0.058	47%	0.466	C	S	.	.	H	α-helix	trans	-64.5	-45.3	176.2	-71.5	168.2	0	0	0	110.8	K214 V215 K220 R221 V222 Y234 Q237 V241	K214-L218 HydrophobicContact CG-CD1 4.33Å; K214-L218 VanDerWaalsContact O-CG 3.28Å; K214-L218 WeakPolarHBondContact O-CG 3.33Å; K214-L218 PolarHBondContact O-N 3.25Å; V215-L218 PolarHBondContact O-N 3.32Å; V215-L218 VanDerWaalsContact O-N 3.08Å; L218-K220 PolarHBondContact O-N 3.12Å; L218-R221 PolarHBondContact O-N 3.39Å; L218-V222 WeakPolarHBondContact O-CG2 3.37Å; L218-V222 PolarHBondContact O-N 3.43Å; L218-Y234 HydrophobicContact CD2-CD1 3.74Å; L218-Y234 HydrophobicContact CD2-CE1 4.03Å; L218-Q237 HydrophobicContact CD1-CB 4.22Å; L218-Q237 HydrophobicContact CD2-CB 4.25Å; L218-V241 HydrophobicContact CD1-CG2 3.92Å
219	E	62.6	Low	62.6	Low	123 Å²	123	96.3 Å²	96.3	58%	0.575	50%	0.503	S	S	*	.	H	α-helix	trans	-60.2	-44.2	176	-71.7	177.4	163.3	0	0	112.2	V215 R221 V222 A223	V215-E219 HydrophobicContact CG1-CG 4.2Å; V215-E219 WeakPolarHBondContact O-CG 3.43Å; V215-E219 PolarHBondContact O-N 3.05Å; E219-R221 VanDerWaalsContact C-N 3.32Å; E219-R221 PolarHBondContact O-N 3.13Å; E219-V222 PolarHBondContact O-N 3.35Å; E219-A223 PolarHBondContact O-N 2.83Å
220	K	63.2	Low	62.9	Low	172 Å²	172	99.3 Å²	99.3	75%	0.748	51%	0.509	S	S	*	.	H	α-helix	trans	-61.1	-38.7	174.4	-82.4	-176.9	179.7	179.4	0	112.7	A216 Q217 L218 A223	A216-K220 WeakPolarHBondContact O-CB 3.46Å; A216-K220 WeakPolarHBondContact O-CG 3.29Å; A216-K220 PolarHBondContact O-N 3.45Å; Q217-K220 PolarHBondContact O-N 3.08Å; L218-K220 PolarHBondContact O-N 3.12Å; K220-A223 PolarHBondContact O-N 3.24Å
221	R	60.1	Low	62.7	Low	155 Å²	155	95.1 Å²	95.1	59%	0.585	49%	0.493	S	S	*	.	H	α-helix	trans	-68	-41.8	176.9	-81.7	-176.1	167.3	-170.6	0.8	111.6	Q217 L218 E219 A223 G224 I225 Y234	Q217-R221 PolarHBondContact O-N 2.69Å; L218-R221 PolarHBondContact O-N 3.39Å; E219-R221 VanDerWaalsContact C-N 3.32Å; E219-R221 PolarHBondContact O-N 3.13Å; R221-A223 PolarHBondContact O-N 2.75Å; R221-G224 PolarHBondContact O-N 3.46Å; R221-I225 HydrophobicContact CB-CD1 4.32Å; R221-I225 WeakPolarHBondContact O-CD1 3.43Å; R221-I225 WeakPolarHBondContact O-CG1 3.09Å; R221-Y234 HydrophobicContact CB-CE1 4.13Å; R221-Y234 PolarHBondContact NH1-OH 2.84Å
222	V	56.1	Low	63.1	Low	52 Å²	52	96.1 Å²	96.1	32%	0.315	51%	0.505	S	S	.	.	H	α-helix	trans	-56.9	-39.9	176.4	172.1	0	0	0	0	111.3	L218 E219 G224 I225 T231 Y234	L218-V222 WeakPolarHBondContact O-CG2 3.37Å; L218-V222 PolarHBondContact O-N 3.43Å; E219-V222 PolarHBondContact O-N 3.35Å; V222-G224 PolarHBondContact O-N 2.7Å; V222-I225 PolarHBondContact O-N 2.99Å; V222-T231 HydrophobicContact CG1-CG2 4.46Å; V222-Y234 HydrophobicContact CG2-CG 4.25Å
223	A	56.7	Low	63.5	Low	92 Å²	92	94.8 Å²	94.8	76%	0.76	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.8	177.8	0	0	0	0	0	114.3	E219 K220 R221	E219-A223 PolarHBondContact O-N 2.83Å; K220-A223 PolarHBondContact O-N 3.24Å; R221-A223 PolarHBondContact O-N 2.75Å
224	G	56.7	Low	63.1	Low	64 Å²	64	91.8 Å²	91.8	66%	0.66	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-2.3	-178.5	0	0	0	0	0	115.6	R221 V222	R221-G224 PolarHBondContact O-N 3.46Å; V222-G224 PolarHBondContact O-N 2.7Å
225	I	59.9	Low	63	Low	39 Å²	39	88.7 Å²	88.7	20%	0.2	48%	0.479	C	S	.	.			trans	-107.9	132.8	-166	-67.8	165.9	0	0	0	112.3	R221 V222 Q230 Y234	R221-I225 HydrophobicContact CB-CD1 4.32Å; R221-I225 WeakPolarHBondContact O-CD1 3.43Å; R221-I225 WeakPolarHBondContact O-CG1 3.09Å; V222-I225 PolarHBondContact O-N 2.99Å; I225-Q230 HydrophobicContact CG2-CB 3.68Å; I225-Y234 HydrophobicContact CD1-CD2 3.46Å; I225-Y234 VanDerWaalsContact CD1-CD2 3.46Å; I225-Y234 HydrophobicContact CD1-CE2 3.17Å; I225-Y234 HydrophobicContact CD1-CG 4.39Å
226	L	56.5	Low	63.3	Low	184 Å²	184	95 Å²	95	96%	0.963	50%	0.5	S	S	*	.			trans	-103.4	-2.2	-174	-75.1	163.6	0	0	0	115.1
227	S	65.2	Low	63.3	Low	48 Å²	48	96.8 Å²	96.8	34%	0.336	50%	0.501	S	S	.	.			trans	-109.2	134.1	179.5	98.5	0	0	0	0	113	E229 Q230 T231	S227-E229 VanDerWaalsContact C-N 3.33Å; S227-E229 PolarHBondContact O-N 2.96Å; S227-Q230 PolarHBondContact O-N 2.77Å; S227-Q230 WeakPolarHBondContact OG-CG 3.44Å; S227-T231 PolarHBondContact O-N 2.86Å; S227-T231 VanDerWaalsContact O-N 3.09Å; S227-T231 PolarHBondContact O-OG1 3.08Å
228	K	67.2	Low	62.6	Low	193 Å²	193	91.5 Å²	91.5	84%	0.839	48%	0.48	S	S	*	.	H	α-helix	trans	-58.8	-38.5	-176.4	-79.2	-175.2	176	179.9	0	113.7	T231 A232	K228-T231 PolarHBondContact O-N 2.74Å; K228-A232 PolarHBondContact O-N 3.18Å
229	E	68.6	Low	62.8	Low	168 Å²	168	96.4 Å²	96.4	79%	0.785	51%	0.506	S	S	*	.	H	α-helix	trans	-69.3	-42.1	-177.5	-73.1	175	170	0	0	111.8	S227 A232 D233	S227-E229 VanDerWaalsContact C-N 3.33Å; S227-E229 PolarHBondContact O-N 2.96Å; E229-A232 PolarHBondContact O-N 3.27Å; E229-D233 PolarHBondContact O-N 2.86Å; E229-D233 VanDerWaalsContact O-N 3.09Å
230	Q	63.9	Low	62.9	Low	107 Å²	107	95.6 Å²	95.6	50%	0.5	50%	0.504	S	S	.	.	H	α-helix	trans	-65	-45.2	174.4	-71.7	179.5	-20.2	0	0	110.4	I225 S227 A232 D233 Y234	I225-Q230 HydrophobicContact CG2-CB 3.68Å; S227-Q230 PolarHBondContact O-N 2.77Å; S227-Q230 WeakPolarHBondContact OG-CG 3.44Å; Q230-A232 VanDerWaalsContact C-N 3.26Å; Q230-A232 PolarHBondContact O-N 3.11Å; Q230-D233 PolarHBondContact O-N 2.82Å; Q230-D233 VanDerWaalsContact O-N 3.16Å; Q230-Y234 HydrophobicContact CB-CD2 4.33Å; Q230-Y234 HydrophobicContact CB-CE2 4.39Å; Q230-Y234 WeakPolarHBondContact O-CD2 3.3Å; Q230-Y234 PolarHBondContact O-N 3.4Å
231	T	61	Low	62.5	Low	52 Å²	52	87.7 Å²	87.7	32%	0.319	47%	0.471	S	S	.	.	H	α-helix	trans	-55.2	-41.6	175.9	-50.2	0	0	0	0	112.1	V222 S227 K228 A235	V222-T231 HydrophobicContact CG1-CG2 4.46Å; S227-T231 PolarHBondContact O-N 2.86Å; S227-T231 VanDerWaalsContact O-N 3.09Å; S227-T231 PolarHBondContact O-OG1 3.08Å; K228-T231 PolarHBondContact O-N 2.74Å; T231-A235 VanDerWaalsContact O-CB 3.29Å; T231-A235 WeakPolarHBondContact O-CB 3.39Å; T231-A235 PolarHBondContact O-N 2.83Å
232	A	69.2	Low	62.1	Low	47 Å²	47	82.2 Å²	82.2	39%	0.388	46%	0.458	S	S	.	.	H	α-helix	trans	-69.5	-35.7	179.2	0	0	0	0	0	113.4	K228 E229 Q230 R236	K228-A232 PolarHBondContact O-N 3.18Å; E229-A232 PolarHBondContact O-N 3.27Å; Q230-A232 VanDerWaalsContact C-N 3.26Å; Q230-A232 PolarHBondContact O-N 3.11Å; A232-R236 PolarHBondContact O-N 3.34Å; A232-R236 PolarHBondContact O-NE 2.77Å
233	D	69	Low	62.4	Low	72 Å²	72	86.2 Å²	86.2	39%	0.385	47%	0.472	S	S	.	.	H	α-helix	trans	-70.9	-42.6	175.1	-160.5	47.7	0	0	0	111.4	E229 Q230 A235 R236 Q237	E229-D233 PolarHBondContact O-N 2.86Å; E229-D233 VanDerWaalsContact O-N 3.09Å; Q230-D233 PolarHBondContact O-N 2.82Å; Q230-D233 VanDerWaalsContact O-N 3.16Å; D233-A235 PolarHBondContact O-N 3.27Å; D233-R236 WeakPolarHBondContact O-CB 3.11Å; D233-R236 PolarHBondContact O-N 3.45Å; D233-Q237 WeakPolarHBondContact O-CG 3.26Å; D233-Q237 PolarHBondContact O-N 2.87Å; D233-Q237 PolarHBondContact OD2-NE2 2.8Å
234	Y	59.4	Low	62.4	Low	43 Å²	43	83.7 Å²	83.7	17%	0.169	45%	0.446	C	S	.	.	H	α-helix	trans	-62.9	-40.8	173.7	-81.5	-70.2	0	0	0	112.7	L218 R221 V222 I225 Q230 R236 Q237 A238	L218-Y234 HydrophobicContact CD2-CD1 3.74Å; L218-Y234 HydrophobicContact CD2-CE1 4.03Å; R221-Y234 HydrophobicContact CB-CE1 4.13Å; R221-Y234 PolarHBondContact NH1-OH 2.84Å; V222-Y234 HydrophobicContact CG2-CG 4.25Å; I225-Y234 HydrophobicContact CD1-CD2 3.46Å; I225-Y234 VanDerWaalsContact CD1-CD2 3.46Å; I225-Y234 HydrophobicContact CD1-CE2 3.17Å; I225-Y234 HydrophobicContact CD1-CG 4.39Å; Q230-Y234 HydrophobicContact CB-CD2 4.33Å; Q230-Y234 HydrophobicContact CB-CE2 4.39Å; Q230-Y234 WeakPolarHBondContact O-CD2 3.3Å; Q230-Y234 PolarHBondContact O-N 3.4Å; Y234-R236 VanDerWaalsContact C-N 3.31Å; Y234-R236 PolarHBondContact O-N 3.09Å; Y234-Q237 PolarHBondContact O-N 3.26Å; Y234-A238 WeakPolarHBondContact O-CB 3.49Å; Y234-A238 PolarHBondContact O-N 3.41Å
235	A	63.6	Low	62.1	Low	44 Å²	44	81.4 Å²	81.4	36%	0.364	42%	0.419	S	S	.	.	H	α-helix	trans	-61.9	-39.1	175.2	0	0	0	0	0	111.8	T231 D233 A238 N239	T231-A235 VanDerWaalsContact O-CB 3.29Å; T231-A235 WeakPolarHBondContact O-CB 3.39Å; T231-A235 PolarHBondContact O-N 2.83Å; D233-A235 PolarHBondContact O-N 3.27Å; A235-A238 PolarHBondContact O-N 3.4Å; A235-N239 WeakPolarHBondContact O-CB 3.27Å; A235-N239 VanDerWaalsContact O-CG 3.23Å; A235-N239 PolarHBondContact O-N 2.81Å; A235-N239 PolarHBondContact O-ND2 2.88Å
236	R	69.3	Low	61.9	Low	157 Å²	157	84.2 Å²	84.2	59%	0.592	43%	0.434	S	S	*	.	H	α-helix	trans	-63.5	-46.2	173.3	-83.9	-176.4	-81.8	171.4	-4.5	111.8	A232 D233 Y234 N239 I240	A232-R236 PolarHBondContact O-N 3.34Å; A232-R236 PolarHBondContact O-NE 2.77Å; D233-R236 WeakPolarHBondContact O-CB 3.11Å; D233-R236 PolarHBondContact O-N 3.45Å; Y234-R236 VanDerWaalsContact C-N 3.31Å; Y234-R236 PolarHBondContact O-N 3.09Å; R236-N239 PolarHBondContact O-N 3.43Å; R236-I240 WeakPolarHBondContact O-CG1 3.35Å; R236-I240 PolarHBondContact O-N 3.3Å
237	Q	66.6	Low	62	Low	78 Å²	78	82.3 Å²	82.3	36%	0.364	41%	0.414	S	S	.	.	H	α-helix	trans	-61.8	-43.8	176.6	-68.4	179.3	22.6	0	0	111.8	L218 D233 Y234 N239 I240 V241	L218-Q237 HydrophobicContact CD1-CB 4.22Å; L218-Q237 HydrophobicContact CD2-CB 4.25Å; D233-Q237 WeakPolarHBondContact O-CG 3.26Å; D233-Q237 PolarHBondContact O-N 2.87Å; D233-Q237 PolarHBondContact OD2-NE2 2.8Å; Y234-Q237 PolarHBondContact O-N 3.26Å; Q237-N239 VanDerWaalsContact C-N 3.34Å; Q237-N239 PolarHBondContact O-N 2.86Å; Q237-I240 PolarHBondContact O-N 3.33Å; Q237-V241 WeakPolarHBondContact O-CG2 3.33Å; Q237-V241 PolarHBondContact O-N 2.93Å
238	A	57.2	Low	61.4	Low	20 Å²	20	80.3 Å²	80.3	17%	0.165	40%	0.4	C	S	.	.	H	α-helix	trans	-60.9	-42.2	176.9	0	0	0	0	0	111.9	Y234 A235 V241 A242	Y234-A238 WeakPolarHBondContact O-CB 3.49Å; Y234-A238 PolarHBondContact O-N 3.41Å; A235-A238 PolarHBondContact O-N 3.4Å; A238-V241 PolarHBondContact O-N 3.2Å; A238-A242 VanDerWaalsContact O-CB 3.3Å; A238-A242 WeakPolarHBondContact O-CB 3.32Å; A238-A242 PolarHBondContact O-N 2.82Å
239	N	66.6	Low	60.7	Low	114 Å²	114	73.5 Å²	73.5	61%	0.61	37%	0.371	S	S	*	.	H	α-helix	trans	-64.4	-39.5	176.8	-74.2	-20.3	0	0	0	112.9	A235 R236 Q237 A242 F243	A235-N239 WeakPolarHBondContact O-CB 3.27Å; A235-N239 VanDerWaalsContact O-CG 3.23Å; A235-N239 PolarHBondContact O-N 2.81Å; A235-N239 PolarHBondContact O-ND2 2.88Å; R236-N239 PolarHBondContact O-N 3.43Å; Q237-N239 VanDerWaalsContact C-N 3.34Å; Q237-N239 PolarHBondContact O-N 2.86Å; N239-A242 PolarHBondContact O-N 2.82Å; N239-F243 WeakPolarHBondContact O-CB 3.04Å; N239-F243 PolarHBondContact O-N 2.74Å
240	I	65.1	Low	59.9	Low	106 Å²	106	68.9 Å²	68.9	54%	0.544	36%	0.357	S	S	.	.	H	α-helix	trans	-62.8	-47.8	175.9	-67.4	164.9	0	0	0	109.9	R236 Q237 A242 F243 D244	R236-I240 WeakPolarHBondContact O-CG1 3.35Å; R236-I240 PolarHBondContact O-N 3.3Å; Q237-I240 PolarHBondContact O-N 3.33Å; I240-A242 PolarHBondContact O-N 3.45Å; I240-F243 WeakPolarHBondContact O-CB 3Å; I240-F243 PolarHBondContact O-N 2.99Å; I240-D244 PolarHBondContact O-N 3.11Å
241	V	53.6	Low	59.6	Low	7 Å²	7	65.5 Å²	65.5	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-65.7	-41.2	179.5	-175.5	0	0	0	0	110.9	L211 K214 V215 L218 Q237 A238 F243 D244 V245	L211-V241 HydrophobicContact CB-CG1 4.29Å; L211-V241 HydrophobicContact CD2-CG1 3.95Å; L211-V241 WeakPolarHBondContact O-CG1 3.44Å; K214-V241 HydrophobicContact CB-CG1 4.42Å; K214-V241 HydrophobicContact CD-CG2 4.09Å; K214-V241 HydrophobicContact CG-CG2 4.4Å; V215-V241 HydrophobicContact CB-CG1 4.49Å; V215-V241 HydrophobicContact CG2-CB 3.95Å; V215-V241 HydrophobicContact CG2-CG1 3.28Å; L218-V241 HydrophobicContact CD1-CG2 3.92Å; Q237-V241 WeakPolarHBondContact O-CG2 3.33Å; Q237-V241 PolarHBondContact O-N 2.93Å; A238-V241 PolarHBondContact O-N 3.2Å; V241-F243 VanDerWaalsContact C-N 3.3Å; V241-F243 PolarHBondContact O-N 3.39Å; V241-D244 PolarHBondContact O-N 3.4Å; V241-V245 HydrophobicContact CG1-CG2 4.34Å; V241-V245 WeakPolarHBondContact O-CB 3.23Å; V241-V245 VanDerWaalsContact O-CG2 3.24Å; V241-V245 WeakPolarHBondContact O-CG2 3.49Å; V241-V245 PolarHBondContact O-N 3.45Å
242	A	53.2	Low	59	Low	39 Å²	39	63.2 Å²	63.2	32%	0.322	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-37.1	176.2	0	0	0	0	0	112.6	A238 N239 I240 N246	A238-A242 VanDerWaalsContact O-CB 3.3Å; A238-A242 WeakPolarHBondContact O-CB 3.32Å; A238-A242 PolarHBondContact O-N 2.82Å; N239-A242 PolarHBondContact O-N 2.82Å; I240-A242 PolarHBondContact O-N 3.45Å; A242-N246 PolarHBondContact O-N 3.16Å
243	F	62.8	Low	58.1	Low	136 Å²	136	63.2 Å²	63.2	60%	0.596	33%	0.328	S	S	*	.	H	α-helix	trans	-64.3	-45.5	173.3	-179.8	-94.8	0	0	0	111.9	N239 I240 V241 V245 N246 R247	N239-F243 WeakPolarHBondContact O-CB 3.04Å; N239-F243 PolarHBondContact O-N 2.74Å; I240-F243 WeakPolarHBondContact O-CB 3Å; I240-F243 PolarHBondContact O-N 2.99Å; V241-F243 VanDerWaalsContact C-N 3.3Å; V241-F243 PolarHBondContact O-N 3.39Å; F243-V245 PolarHBondContact O-N 3.24Å; F243-N246 PolarHBondContact O-N 2.93Å; F243-R247 WeakPolarHBondContact O-CB 3.32Å; F243-R247 PolarHBondContact O-N 2.8Å
244	D	55.9	Low	57	Low	40 Å²	40	64.5 Å²	64.5	21%	0.214	34%	0.335	C	S	.	.	H	α-helix	trans	-63.9	-39.8	177.3	-74.4	-31.5	0	0	0	112.2	L211 I240 V241 R247 L248	L211-D244 HydrophobicContact CD1-CB 4.23Å; I240-D244 PolarHBondContact O-N 3.11Å; V241-D244 PolarHBondContact O-N 3.4Å; D244-R247 PolarHBondContact O-N 3.06Å; D244-R247 IonicContact OD1-CZ 3.04Å; D244-R247 IonicContact OD1-NH1 3.64Å; D244-R247 IonicContact OD1-NH2 2.67Å; D244-L248 WeakPolarHBondContact O-CB 3.35Å; D244-L248 PolarHBondContact O-N 3.35Å
245	V	50.8	Low	56.5	Low	15 Å²	15	63.4 Å²	63.4	9%	0.091	33%	0.333	C	S	.	.	H	α-helix	trans	-57.1	-53	172.8	168.6	0	0	0	0	110.4	Y208 L211 V215 V241 F243 R247 L248 E249	Y208-V245 HydrophobicContact CD2-CG1 4.33Å; Y208-V245 HydrophobicContact CE2-CG1 3.58Å; L211-V245 HydrophobicContact CB-CG2 3.81Å; V215-V245 HydrophobicContact CG2-CG2 4.16Å; V241-V245 HydrophobicContact CG1-CG2 4.34Å; V241-V245 WeakPolarHBondContact O-CB 3.23Å; V241-V245 VanDerWaalsContact O-CG2 3.24Å; V241-V245 WeakPolarHBondContact O-CG2 3.49Å; V241-V245 PolarHBondContact O-N 3.45Å; F243-V245 PolarHBondContact O-N 3.24Å; V245-R247 VanDerWaalsContact C-N 3.3Å; V245-R247 PolarHBondContact O-N 3.08Å; V245-L248 PolarHBondContact O-N 3.39Å; V245-L248 VanDerWaalsContact O-N 3.15Å; V245-E249 WeakPolarHBondContact O-CG 3.28Å; V245-E249 PolarHBondContact O-N 3.35Å
246	N	54.8	Low	55.4	Low	98 Å²	98	68.4 Å²	68.4	52%	0.524	35%	0.346	S	S	.	.	H	α-helix	trans	-60.8	-38.6	178.9	-76.3	-18.2	0	0	0	112.5	A242 F243 S250	A242-N246 PolarHBondContact O-N 3.16Å; F243-N246 PolarHBondContact O-N 2.93Å; N246-S250 WeakPolarHBondContact O-CB 3.36Å; N246-S250 PolarHBondContact O-N 3.27Å; N246-S250 VanDerWaalsContact O-N 3.08Å; N246-S250 PolarHBondContact O-OG 2.8Å
247	R	58.3	Low	54.2	Low	144 Å²	144	62 Å²	62	54%	0.543	32%	0.324	S	S	.	.	H	α-helix	trans	-64.2	-42.7	176.2	-168.3	-175.8	74.7	-164.4	-1.3	111.1	F243 D244 V245 S251	F243-R247 WeakPolarHBondContact O-CB 3.32Å; F243-R247 PolarHBondContact O-N 2.8Å; D244-R247 PolarHBondContact O-N 3.06Å; D244-R247 IonicContact OD1-CZ 3.04Å; D244-R247 IonicContact OD1-NH1 3.64Å; D244-R247 IonicContact OD1-NH2 2.67Å; V245-R247 VanDerWaalsContact C-N 3.3Å; V245-R247 PolarHBondContact O-N 3.08Å; R247-S251 WeakPolarHBondContact O-CB 3.36Å; R247-S251 PolarHBondContact O-N 3.28Å
248	L	52.5	Low	53.1	Low	7 Å²	7	58.7 Å²	58.7	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-67.5	-43.1	177	-100.4	144.1	0	0	0	112.5	K204 E207 Y208 L211 D244 V245 S250 S251 T252	K204-L248 HydrophobicContact CB-CD2 4.21Å; K204-L248 HydrophobicContact CG-CD2 4.38Å; E207-L248 HydrophobicContact CB-CD2 4.49Å; E207-L248 HydrophobicContact CG-CD1 4.05Å; Y208-L248 HydrophobicContact CD2-CB 4.34Å; L211-L248 HydrophobicContact CD1-CD1 3.24Å; D244-L248 WeakPolarHBondContact O-CB 3.35Å; D244-L248 PolarHBondContact O-N 3.35Å; V245-L248 PolarHBondContact O-N 3.39Å; V245-L248 VanDerWaalsContact O-N 3.15Å; L248-S250 VanDerWaalsContact C-N 3.33Å; L248-S250 PolarHBondContact O-N 3.26Å; L248-S251 PolarHBondContact O-N 3.13Å; L248-S251 PolarHBondContact O-OG 3.34Å; L248-T252 VanDerWaalsContact O-CB 3.32Å; L248-T252 WeakPolarHBondContact O-CB 3.44Å; L248-T252 PolarHBondContact O-N 2.98Å; L248-T252 PolarHBondContact O-OG1 2.96Å
249	E	52.9	Low	52.5	Low	49 Å²	49	62.6 Å²	62.6	23%	0.229	32%	0.322	C	S	.	.	H	α-helix	trans	-57.3	-48.8	175.1	-71.4	-174.8	168.2	0	0	110.8	F178 Y208 V245 S251 T252 C253	F178-E249 HydrophobicContact CZ-CG 4.28Å; Y208-E249 HydrophobicContact CD2-CG 4Å; Y208-E249 HydrophobicContact CE2-CG 3.32Å; Y208-E249 VanDerWaalsContact CE2-OE1 3.27Å; Y208-E249 WeakPolarHBondContact CE2-OE1 3.39Å; Y208-E249 VanDerWaalsContact CZ-OE1 3.3Å; Y208-E249 PolarHBondContact OH-OE1 3.49Å; V245-E249 WeakPolarHBondContact O-CG 3.28Å; V245-E249 PolarHBondContact O-N 3.35Å; E249-S251 PolarHBondContact O-N 2.75Å; E249-T252 PolarHBondContact O-N 2.97Å; E249-C253 WeakPolarHBondContact O-CB 3.4Å; E249-C253 PolarHBondContact O-N 3.1Å; E249-C253 PolarHBondContact O-SG 2.94Å
250	S	53	Low	51.4	Low	71 Å²	71	59.3 Å²	59.3	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-58.2	-49.3	176.7	-56.1	0	0	0	0	110.7	N246 L248 T252 C253 D254	N246-S250 WeakPolarHBondContact O-CB 3.36Å; N246-S250 PolarHBondContact O-N 3.27Å; N246-S250 VanDerWaalsContact O-N 3.08Å; N246-S250 PolarHBondContact O-OG 2.8Å; L248-S250 VanDerWaalsContact C-N 3.33Å; L248-S250 PolarHBondContact O-N 3.26Å; S250-T252 VanDerWaalsContact C-N 3.32Å; S250-T252 PolarHBondContact O-N 3.34Å; S250-C253 PolarHBondContact O-N 2.98Å; S250-D254 WeakPolarHBondContact O-CB 3.29Å; S250-D254 PolarHBondContact O-N 3.39Å
251	S	56.2	Low	50.3	Low	37 Å²	37	55.2 Å²	55.2	26%	0.259	28%	0.284	S	S	.	.	H	α-helix	trans	-66.9	-31.1	-178.9	98.1	0	0	0	0	113.8	K204 R247 L248 E249 T255	K204-S251 PolarHBondContact NZ-OG 3.39Å; R247-S251 WeakPolarHBondContact O-CB 3.36Å; R247-S251 PolarHBondContact O-N 3.28Å; L248-S251 PolarHBondContact O-N 3.13Å; L248-S251 PolarHBondContact O-OG 3.34Å; E249-S251 PolarHBondContact O-N 2.75Å; S251-T255 WeakPolarHBondContact O-CG2 3.31Å; S251-T255 PolarHBondContact O-N 2.86Å
252	T	49.6	Very low	49.8	Very low	4 Å²	4	56 Å²	56	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-76.7	-44.2	-179.8	-53	0	0	0	0	109.2	L205 L248 E249 S250 D254 T255 V258	L205-T252 HydrophobicContact CD2-CG2 3.81Å; L205-T252 HydrophobicContact CG-CG2 4.34Å; L248-T252 VanDerWaalsContact O-CB 3.32Å; L248-T252 WeakPolarHBondContact O-CB 3.44Å; L248-T252 PolarHBondContact O-N 2.98Å; L248-T252 PolarHBondContact O-OG1 2.96Å; E249-T252 PolarHBondContact O-N 2.97Å; S250-T252 VanDerWaalsContact C-N 3.32Å; S250-T252 PolarHBondContact O-N 3.34Å; T252-D254 PolarHBondContact O-N 3.02Å; T252-T255 PolarHBondContact O-N 3.17Å; T252-T255 PolarHBondContact O-OG1 3.43Å; T252-V258 HydrophobicContact CG2-CG2 4.46Å; T252-V258 WeakPolarHBondContact O-CG2 3.39Å
253	C	48.9	Very low	49.3	Very low	46 Å²	46	56 Å²	56	31%	0.311	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-30.2	172.3	-64.9	0	0	0	0	112.2	A168 E249 S250	A168-C253 HydrophobicContact CB-CB 4.11Å; A168-C253 WeakPolarHBondContact CB-SG 3.15Å; E249-C253 WeakPolarHBondContact O-CB 3.4Å; E249-C253 PolarHBondContact O-N 3.1Å; E249-C253 PolarHBondContact O-SG 2.94Å; S250-C253 PolarHBondContact O-N 2.98Å
254	D	47.2	Very low	48.2	Very low	100 Å²	100	52.2 Å²	52.2	54%	0.535	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-9.7	176.8	-86.4	-39.4	0	0	0	115.4	S250 T252 K259	S250-D254 WeakPolarHBondContact O-CB 3.29Å; S250-D254 PolarHBondContact O-N 3.39Å; T252-D254 PolarHBondContact O-N 3.02Å; D254-K259 PolarHBondContact O-NZ 2.86Å; D254-K259 WeakPolarHBondContact OD1-CE 3.49Å; D254-K259 IonicContact OD1-NZ 3.77Å; D254-K259 PolarHBondContact OD1-NZ 3.1Å
255	T	48.5	Very low	47.3	Very low	20 Å²	20	53.2 Å²	53.2	12%	0.123	28%	0.281	C	S	.	.	S	Bend	trans	-65	140.6	176.6	54	0	0	0	0	111.5	V201 K204 S251 T252 I257 V258 K259	V201-T255 HydrophobicContact CG2-CG2 4.26Å; K204-T255 HydrophobicContact CD-CG2 4.32Å; S251-T255 WeakPolarHBondContact O-CG2 3.31Å; S251-T255 PolarHBondContact O-N 2.86Å; T252-T255 PolarHBondContact O-N 3.17Å; T252-T255 PolarHBondContact O-OG1 3.43Å; T255-I257 PolarHBondContact O-N 3.43Å; T255-V258 PolarHBondContact O-N 2.73Å; T255-V258 VanDerWaalsContact O-N 3.1Å; T255-V258 WeakPolarHBondContact OG1-CG2 3.17Å; T255-K259 PolarHBondContact O-N 2.74Å; T255-K259 VanDerWaalsContact O-N 3.11Å
256	F	40.3	Very low	46.7	Very low	148 Å²	148	54.7 Å²	54.7	65%	0.649	29%	0.29	S	S	*	.	H	α-helix	trans	-50.8	-42.4	-178.7	-176.8	-102.1	0	0	0	112.3	V258 K259 D260	F256-V258 PolarHBondContact O-N 3.31Å; F256-K259 WeakPolarHBondContact O-CB 3.37Å; F256-K259 PolarHBondContact O-N 2.8Å; F256-D260 WeakPolarHBondContact CD1-OD2 3.42Å; F256-D260 WeakPolarHBondContact CE1-OD2 3.23Å; F256-D260 VanDerWaalsContact CZ-OD2 3.28Å; F256-D260 WeakPolarHBondContact CZ-OD2 3.26Å; F256-D260 WeakPolarHBondContact O-CB 3.36Å; F256-D260 PolarHBondContact O-N 3.11Å
257	I	43.4	Very low	45.9	Very low	24 Å²	24	53.9 Å²	53.9	12%	0.123	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-44.3	-180	-63	169.9	0	0	0	112.1	F188 D189 V201 T255 K259 D260 I261	F188-I257 HydrophobicContact CB-CG2 4.05Å; F188-I257 HydrophobicContact CD1-CB 4.24Å; F188-I257 HydrophobicContact CD1-CD1 4.1Å; F188-I257 HydrophobicContact CD1-CG1 3.75Å; F188-I257 HydrophobicContact CD1-CG2 3.64Å; F188-I257 HydrophobicContact CE1-CB 4.4Å; F188-I257 HydrophobicContact CE1-CD1 4.35Å; F188-I257 HydrophobicContact CE1-CG1 3.7Å; F188-I257 HydrophobicContact CE1-CG2 4.25Å; F188-I257 HydrophobicContact CG-CG2 3.86Å; D189-I257 VanDerWaalsContact OD1-CD1 3.23Å; D189-I257 WeakPolarHBondContact OD1-CD1 3.21Å; V201-I257 HydrophobicContact CB-CD1 4.46Å; V201-I257 HydrophobicContact CG2-CB 4.04Å; V201-I257 HydrophobicContact CG2-CD1 3.62Å; V201-I257 HydrophobicContact CG2-CG1 4.28Å; T255-I257 PolarHBondContact O-N 3.43Å; I257-K259 VanDerWaalsContact C-N 3.34Å; I257-D260 PolarHBondContact O-N 2.86Å; I257-I261 HydrophobicContact CG2-CD1 3.77Å; I257-I261 HydrophobicContact CG2-CG1 4.37Å; I257-I261 WeakPolarHBondContact O-CB 3.5Å; I257-I261 VanDerWaalsContact O-CG1 3.25Å; I257-I261 WeakPolarHBondContact O-CG1 3.43Å; I257-I261 PolarHBondContact O-N 3.34Å
258	V	44.4	Very low	44.8	Very low	7 Å²	7	49.3 Å²	49.3	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-67	-39.7	177.9	177.4	0	0	0	0	110.4	A168 L181 T252 T255 F256 D260 I261 V262	A168-V258 HydrophobicContact CB-CG1 4.45Å; L181-V258 HydrophobicContact CD2-CG2 3.83Å; T252-V258 HydrophobicContact CG2-CG2 4.46Å; T252-V258 WeakPolarHBondContact O-CG2 3.39Å; T255-V258 PolarHBondContact O-N 2.73Å; T255-V258 VanDerWaalsContact O-N 3.1Å; T255-V258 WeakPolarHBondContact OG1-CG2 3.17Å; F256-V258 PolarHBondContact O-N 3.31Å; V258-D260 VanDerWaalsContact C-N 3.31Å; V258-D260 PolarHBondContact O-N 3.48Å; V258-I261 PolarHBondContact O-N 3.04Å; V258-V262 HydrophobicContact CG1-CG2 4.39Å; V258-V262 VanDerWaalsContact O-CB 3.27Å; V258-V262 WeakPolarHBondContact O-CB 3.34Å; V258-V262 VanDerWaalsContact O-CG2 3.24Å; V258-V262 WeakPolarHBondContact O-CG2 3.18Å; V258-V262 PolarHBondContact O-N 3.09Å
259	K	45.5	Very low	44	Very low	102 Å²	102	51.6 Å²	51.6	44%	0.443	29%	0.288	S	S	.	.	H	α-helix	trans	-60.8	-40	173.6	-72.9	179.3	175.7	156.4	0	111.9	D254 T255 F256 I257 A263	D254-K259 PolarHBondContact O-NZ 2.86Å; D254-K259 WeakPolarHBondContact OD1-CE 3.49Å; D254-K259 IonicContact OD1-NZ 3.77Å; D254-K259 PolarHBondContact OD1-NZ 3.1Å; T255-K259 PolarHBondContact O-N 2.74Å; T255-K259 VanDerWaalsContact O-N 3.11Å; F256-K259 WeakPolarHBondContact O-CB 3.37Å; F256-K259 PolarHBondContact O-N 2.8Å; I257-K259 VanDerWaalsContact C-N 3.34Å; K259-A263 WeakPolarHBondContact O-CB 3.27Å; K259-A263 PolarHBondContact O-N 2.84Å
260	D	43.4	Very low	43.7	Very low	45 Å²	45	49.8 Å²	49.8	24%	0.241	28%	0.28	C	S	.	.	H	α-helix	trans	-72.1	-40.7	178.3	-76.2	-5.1	0	0	0	113	F188 F256 I257 V258 V262 A263 S264	F188-D260 HydrophobicContact CE2-CB 4.39Å; F188-D260 HydrophobicContact CZ-CB 4.49Å; F256-D260 WeakPolarHBondContact CD1-OD2 3.42Å; F256-D260 WeakPolarHBondContact CE1-OD2 3.23Å; F256-D260 VanDerWaalsContact CZ-OD2 3.28Å; F256-D260 WeakPolarHBondContact CZ-OD2 3.26Å; F256-D260 WeakPolarHBondContact O-CB 3.36Å; F256-D260 PolarHBondContact O-N 3.11Å; I257-D260 PolarHBondContact O-N 2.86Å; V258-D260 VanDerWaalsContact C-N 3.31Å; V258-D260 PolarHBondContact O-N 3.48Å; D260-V262 VanDerWaalsContact C-N 3.34Å; D260-A263 PolarHBondContact O-N 3.22Å; D260-S264 VanDerWaalsContact O-CB 3.24Å; D260-S264 WeakPolarHBondContact O-CB 3.47Å; D260-S264 PolarHBondContact O-N 2.82Å; D260-S264 PolarHBondContact O-OG 2.89Å
261	I	41.9	Very low	43.8	Very low	21 Å²	21	49.2 Å²	49.2	11%	0.108	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-47.6	173.6	-70.1	167.4	0	0	0	109.1	L171 A184 I257 V258 S264 F265	L171-I261 HydrophobicContact CD2-CG2 4.27Å; A184-I261 HydrophobicContact CB-CD1 4.18Å; I257-I261 HydrophobicContact CG2-CD1 3.77Å; I257-I261 HydrophobicContact CG2-CG1 4.37Å; I257-I261 WeakPolarHBondContact O-CB 3.5Å; I257-I261 VanDerWaalsContact O-CG1 3.25Å; I257-I261 WeakPolarHBondContact O-CG1 3.43Å; I257-I261 PolarHBondContact O-N 3.34Å; V258-I261 PolarHBondContact O-N 3.04Å; I261-S264 PolarHBondContact O-N 2.82Å; I261-F265 HydrophobicContact CG2-CD2 3.92Å; I261-F265 HydrophobicContact CG2-CE2 4.18Å; I261-F265 WeakPolarHBondContact O-CB 3.49Å; I261-F265 WeakPolarHBondContact O-CD2 3.34Å; I261-F265 PolarHBondContact O-N 3.42Å
262	V	42.4	Very low	44.2	Very low	22 Å²	22	47.8 Å²	47.8	13%	0.133	26%	0.263	C	S	.	.	H	α-helix	trans	-59.4	-47.5	175.1	159.6	0	0	0	0	111.2	P167 V258 D260 S264 F265 V266	P167-V262 HydrophobicContact CB-CB 4.22Å; P167-V262 HydrophobicContact CB-CG1 3.33Å; P167-V262 HydrophobicContact CB-CG2 3.86Å; P167-V262 HydrophobicContact CG-CG1 3.62Å; P167-V262 HydrophobicContact CG-CG2 4.36Å; V258-V262 HydrophobicContact CG1-CG2 4.39Å; V258-V262 VanDerWaalsContact O-CB 3.27Å; V258-V262 WeakPolarHBondContact O-CB 3.34Å; V258-V262 VanDerWaalsContact O-CG2 3.24Å; V258-V262 WeakPolarHBondContact O-CG2 3.18Å; V258-V262 PolarHBondContact O-N 3.09Å; D260-V262 VanDerWaalsContact C-N 3.34Å; V262-S264 VanDerWaalsContact C-N 3.3Å; V262-S264 PolarHBondContact O-N 3.43Å; V262-F265 CarbonylContact O-C 3.53Å; V262-F265 WeakPolarHBondContact O-CB 3.27Å; V262-F265 PolarHBondContact O-N 3.16Å; V262-V266 HydrophobicContact CG1-CG2 4.35Å; V262-V266 WeakPolarHBondContact O-CG2 3.39Å; V262-V266 PolarHBondContact O-N 3.32Å
263	A	42.2	Very low	45	Very low	39 Å²	39	52.4 Å²	52.4	32%	0.322	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-40.3	179.4	0	0	0	0	0	111.3	K259 D260 F265 V266 Q267	K259-A263 WeakPolarHBondContact O-CB 3.27Å; K259-A263 PolarHBondContact O-N 2.84Å; D260-A263 PolarHBondContact O-N 3.22Å; A263-F265 VanDerWaalsContact C-N 3.34Å; A263-V266 PolarHBondContact O-N 3.17Å; A263-Q267 WeakPolarHBondContact O-CB 3.43Å; A263-Q267 WeakPolarHBondContact O-CG 3.23Å; A263-Q267 PolarHBondContact O-N 2.74Å
264	S	39.5	Very low	45.8	Very low	58 Å²	58	53.5 Å²	53.5	41%	0.406	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-40.1	174.8	-60.3	0	0	0	0	111.4	D260 I261 V262 Q267 A268	D260-S264 VanDerWaalsContact O-CB 3.24Å; D260-S264 WeakPolarHBondContact O-CB 3.47Å; D260-S264 PolarHBondContact O-N 2.82Å; D260-S264 PolarHBondContact O-OG 2.89Å; I261-S264 PolarHBondContact O-N 2.82Å; V262-S264 VanDerWaalsContact C-N 3.3Å; V262-S264 PolarHBondContact O-N 3.43Å; S264-Q267 PolarHBondContact O-N 2.81Å; S264-A268 WeakPolarHBondContact O-CB 3.27Å; S264-A268 PolarHBondContact O-N 2.65Å
265	F	38.3	Very low	46.9	Very low	60 Å²	60	52 Å²	52	26%	0.263	28%	0.282	S	S	.	.	H	α-helix	trans	-67.9	-40.8	174.3	-100.1	-82	0	0	0	112.9	L171 I261 V262 A263 Q267 A268 L269	L171-F265 HydrophobicContact CD1-CB 4.19Å; L171-F265 HydrophobicContact CD1-CD1 3.94Å; L171-F265 HydrophobicContact CD1-CD2 4.17Å; L171-F265 HydrophobicContact CD1-CE1 4.35Å; L171-F265 HydrophobicContact CD1-CG 3.84Å; L171-F265 HydrophobicContact CD2-CD2 4.11Å; L171-F265 HydrophobicContact CD2-CE2 4.28Å; I261-F265 HydrophobicContact CG2-CD2 3.92Å; I261-F265 HydrophobicContact CG2-CE2 4.18Å; I261-F265 WeakPolarHBondContact O-CB 3.49Å; I261-F265 WeakPolarHBondContact O-CD2 3.34Å; I261-F265 PolarHBondContact O-N 3.42Å; V262-F265 CarbonylContact O-C 3.53Å; V262-F265 WeakPolarHBondContact O-CB 3.27Å; V262-F265 PolarHBondContact O-N 3.16Å; A263-F265 VanDerWaalsContact C-N 3.34Å; F265-Q267 VanDerWaalsContact C-N 3.33Å; F265-A268 VanDerWaalsContact O-CB 3.26Å; F265-A268 WeakPolarHBondContact O-CB 3.32Å; F265-A268 PolarHBondContact O-N 3.15Å; F265-A268 VanDerWaalsContact O-N 3.16Å; F265-L269 WeakPolarHBondContact O-CG 3.24Å; F265-L269 PolarHBondContact O-N 2.91Å; F265-L269 VanDerWaalsContact O-N 3.08Å
266	V	38.5	Very low	47.9	Very low	46 Å²	46	56 Å²	56	28%	0.279	30%	0.3	S	S	.	.	H	α-helix	trans	-64	-41.5	174.3	173.2	0	0	0	0	109.9	V262 A263 A268 L269 F270	V262-V266 HydrophobicContact CG1-CG2 4.35Å; V262-V266 WeakPolarHBondContact O-CG2 3.39Å; V262-V266 PolarHBondContact O-N 3.32Å; A263-V266 PolarHBondContact O-N 3.17Å; V266-A268 VanDerWaalsContact C-N 3.27Å; V266-A268 PolarHBondContact O-N 3.06Å; V266-L269 PolarHBondContact O-N 3.05Å; V266-F270 HydrophobicContact CG1-CD2 4.33Å; V266-F270 WeakPolarHBondContact O-CB 3.25Å; V266-F270 PolarHBondContact O-N 3.08Å
267	Q	37.2	Very low	49.1	Very low	81 Å²	81	52.4 Å²	52.4	38%	0.379	29%	0.293	S	S	.	.	H	α-helix	trans	-63.9	-28.8	172.4	-76.3	-178.4	12.7	0	0	113.3	A263 S264 F265 F270	A263-Q267 WeakPolarHBondContact O-CB 3.43Å; A263-Q267 WeakPolarHBondContact O-CG 3.23Å; A263-Q267 PolarHBondContact O-N 2.74Å; S264-Q267 PolarHBondContact O-N 2.81Å; F265-Q267 VanDerWaalsContact C-N 3.33Å; Q267-F270 CarbonylContact C-O 3.59Å; Q267-F270 VanDerWaalsContact C-O 3.31Å; Q267-F270 WeakPolarHBondContact CA-O 3.34Å; Q267-F270 CarbonylContact O-C 3.57Å
268	A	34.7	Very low	50.2	Low	48 Å²	48	53.4 Å²	53.4	40%	0.397	30%	0.302	S	S	.	.	H	α-helix	trans	-70.8	-36.9	174.9	0	0	0	0	0	112.5	F72 S264 F265 V266	F72-A268 HydrophobicContact CE1-CB 4.32Å; F72-A268 HydrophobicContact CE2-CB 3.77Å; F72-A268 HydrophobicContact CZ-CB 3.3Å; S264-A268 WeakPolarHBondContact O-CB 3.27Å; S264-A268 PolarHBondContact O-N 2.65Å; F265-A268 VanDerWaalsContact O-CB 3.26Å; F265-A268 WeakPolarHBondContact O-CB 3.32Å; F265-A268 PolarHBondContact O-N 3.15Å; F265-A268 VanDerWaalsContact O-N 3.16Å; V266-A268 VanDerWaalsContact C-N 3.27Å; V266-A268 PolarHBondContact O-N 3.06Å
269	L	37.1	Very low	51	Low	56 Å²	56	59 Å²	59	29%	0.293	34%	0.336	S	S	.	.	H	α-helix	trans	-92.2	-24.2	-174.7	-67.8	166.2	0	0	0	112.6	L155 F265 V266	L155-L269 HydrophobicContact CD1-CD2 4.43Å; L155-L269 HydrophobicContact CD2-CD2 4.4Å; F265-L269 WeakPolarHBondContact O-CG 3.24Å; F265-L269 PolarHBondContact O-N 2.91Å; F265-L269 VanDerWaalsContact O-N 3.08Å; V266-L269 PolarHBondContact O-N 3.05Å
270	F	44.9	Very low	52.2	Low	10 Å²	10	60.5 Å²	60.5	4%	0.044	35%	0.349	C	S	.	.	S	Bend	trans	-123.7	111.8	170.7	-70.4	-86	0	0	0	106.8	V160 V266 Q267 W272 L358	V160-F270 HydrophobicContact CG1-CE2 4.33Å; V160-F270 HydrophobicContact CG1-CZ 4.04Å; V266-F270 HydrophobicContact CG1-CD2 4.33Å; V266-F270 WeakPolarHBondContact O-CB 3.25Å; V266-F270 PolarHBondContact O-N 3.08Å; Q267-F270 CarbonylContact C-O 3.59Å; Q267-F270 VanDerWaalsContact C-O 3.31Å; Q267-F270 WeakPolarHBondContact CA-O 3.34Å; Q267-F270 CarbonylContact O-C 3.57Å; F270-W272 HydrophobicContact CB-CB 4.23Å; F270-W272 HydrophobicContact CB-CG 4.4Å; F270-W272 PolarHBondContact O-N 3.1Å; F270-L358 HydrophobicContact CD1-CB 4.06Å; F270-L358 HydrophobicContact CD1-CD1 4Å; F270-L358 HydrophobicContact CE1-CB 3.9Å; F270-L358 HydrophobicContact CE1-CD1 4.16Å
271	P	56.1	Low	53.7	Low	60 Å²	60	59.6 Å²	59.6	39%	0.39	35%	0.346	S	S	.	.			trans	-62.8	4.6	177.4	28.4	-37.5	0	0	0	114	F286	P271-F286 HydrophobicContact CB-CD2 3.9Å; P271-F286 HydrophobicContact CB-CE2 3.56Å; P271-F286 HydrophobicContact CG-CD2 3.71Å; P271-F286 HydrophobicContact CG-CE2 3.24Å; P271-F286 HydrophobicContact CG-CZ 4.19Å
272	W	63.8	Low	55	Low	6 Å²	6	58.7 Å²	58.7	2%	0.023	34%	0.341	C	S	.	.			trans	-71	121.7	171.5	-61.8	78.4	0	0	0	110.7	F270 L284 R285 F286 F291 L358 L361 Q362 I365	F270-W272 HydrophobicContact CB-CB 4.23Å; F270-W272 HydrophobicContact CB-CG 4.4Å; F270-W272 PolarHBondContact O-N 3.1Å; W272-L284 HydrophobicContact CB-CB 4.44Å; W272-L284 HydrophobicContact CE3-CB 3.74Å; W272-L284 HydrophobicContact CZ3-CB 4.44Å; W272-R285 CarbonylContact C-O 3.6Å; W272-R285 WeakPolarHBondContact CA-O 3.42Å; W272-F286 HydrophobicContact CD2-CB 3.66Å; W272-F286 HydrophobicContact CD2-CG 4.33Å; W272-F286 HydrophobicContact CE3-CB 3.61Å; W272-F286 HydrophobicContact CG-CB 4.26Å; W272-F286 HydrophobicContact CH2-CB 4.07Å; W272-F286 HydrophobicContact CZ2-CB 4.09Å; W272-F286 HydrophobicContact CZ2-CG 4.4Å; W272-F286 HydrophobicContact CZ3-CB 3.84Å; W272-F291 AromaticContact CH2-CD2 3.63Å; W272-F291 HydrophobicContact CH2-CD2 3.63Å; W272-F291 AromaticContact CH2-CE2 3.63Å; W272-F291 HydrophobicContact CH2-CE2 3.63Å; W272-F291 HydrophobicContact CH2-CG 4.29Å; W272-F291 HydrophobicContact CH2-CZ 4.34Å; W272-F291 HydrophobicContact CZ3-CB 4.25Å; W272-F291 AromaticContact CZ3-CD2 3.36Å; W272-F291 HydrophobicContact CZ3-CD2 3.36Å; W272-F291 AromaticContact CZ3-CE2 3.86Å; W272-F291 HydrophobicContact CZ3-CE2 3.86Å; W272-F291 AromaticContact CZ3-CG 3.98Å; W272-F291 HydrophobicContact CZ3-CG 3.98Å; W272-L358 HydrophobicContact CD2-CD2 4.29Å; W272-L358 HydrophobicContact CE3-CD2 4.39Å; W272-L358 HydrophobicContact CZ2-CD2 4.44Å; W272-L358 HydrophobicContact CZ3-CD2 4.48Å; W272-L361 HydrophobicContact CH2-CB 4.1Å; W272-L361 HydrophobicContact CH2-CD1 4.47Å; W272-L361 HydrophobicContact CZ2-CB 4.01Å; W272-Q362 HydrophobicContact CZ2-CB 4.26Å; W272-I365 HydrophobicContact CH2-CD1 3.83Å; W272-I365 HydrophobicContact CZ2-CD1 4.05Å
273	K	67.6	Low	56.8	Low	101 Å²	101	60.8 Å²	60.8	44%	0.439	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.2	174	-63.6	-168.1	177.4	-164.8	0	110.2	V275 L284 R285	K273-V275 PolarHBondContact O-N 2.92Å; K273-L284 CarbonylContact O-C 3.59Å; K273-L284 WeakPolarHBondContact O-CA 3.36Å; K273-R285 PolarHBondContact N-O 3.46Å; K273-R285 PolarHBondContact O-N 2.99Å
274	V	64.6	Low	58.6	Low	70 Å²	70	59.3 Å²	59.3	42%	0.424	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	113.8	169.8	-175.1	0	0	0	0	108.2	V282 L284	V274-V282 HydrophobicContact CG1-CG2 4.1Å; V274-L284 HydrophobicContact CB-CD2 4.26Å; V274-L284 HydrophobicContact CG2-CD2 3.69Å
275	V	71.7	Confident	60.6	Low	67 Å²	67	59.2 Å²	59.2	41%	0.406	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-42.7	173.6	-179.2	0	0	0	0	109.8	K273 R283 R285	K273-V275 PolarHBondContact O-N 2.92Å; V275-R283 HydrophobicContact CB-CB 4.06Å; V275-R283 PolarHBondContact N-O 3.31Å; V275-R285 HydrophobicContact CG2-CB 3.49Å; V275-R285 VanDerWaalsContact CG2-CB 3.49Å
276	E	68.8	Low	62.5	Low	105 Å²	105	57 Å²	57	49%	0.491	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	145.1	-176.3	-166.8	179.9	168.7	0	0	109.2	V282 R283	E276-V282 WeakPolarHBondContact O-CG2 3.25Å; E276-R283 HydrophobicContact CB-CB 4Å; E276-R283 HydrophobicContact CB-CG 4.25Å; E276-R283 PolarHBondContact N-O 2.97Å; E276-R283 PolarHBondContact O-N 3.15Å; E276-R283 VanDerWaalsContact OE2-CD 3.29Å; E276-R283 WeakPolarHBondContact OE2-CD 3.29Å; E276-R283 IonicContact OE2-NH1 3.52Å; E276-R283 PolarHBondContact OE2-NH1 2.94Å; E276-R283 VanDerWaalsContact OE2-NH1 3.16Å
277	S	65.3	Low	64.3	Low	72 Å²	72	58.6 Å²	58.6	50%	0.503	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	122.2	179	159.4	0	0	0	0	109.7	R295	S277-R295 PolarHBondContact OG-NH2 3.49Å
278	S	65.4	Low	66.5	Low	45 Å²	45	56.4 Å²	56.4	32%	0.315	31%	0.308	S	S	.	.			trans	-121	174.6	173.6	71.1	0	0	0	0	110.5	L280 S281 R295	S278-L280 PolarHBondContact O-N 3.05Å; S278-L280 PolarHBondContact OG-N 3.24Å; S278-S281 PolarHBondContact N-O 2.9Å; S278-S281 VanDerWaalsContact O-O 3.1Å; S278-S281 PolarHBondContact OG-N 3.12Å; S278-S281 PolarHBondContact OG-O 2.81Å; S278-S281 PolarHBondContact OG-OG 3.49Å; S278-R295 PolarHBondContact O-NE 2.9Å; S278-R295 PolarHBondContact O-NH1 3.44Å; S278-R295 PolarHBondContact O-NH2 2.85Å
279	T	62.8	Low	69	Low	125 Å²	125	54.1 Å²	54.1	77%	0.767	29%	0.29	S	S	*	.	S	Bend	trans	-59.9	-30.8	175.5	45.1	0	0	0	0	113.1	R295	T279-R295 WeakPolarHBondContact O-CD 3.43Å
280	L	70.1	Confident	71.4	Confident	134 Å²	134	51.5 Å²	51.5	70%	0.702	28%	0.276	S	S	*	.	S	Bend	trans	-106.4	-14	-173	-63.2	175.7	0	0	0	114.1	S278 R295	S278-L280 PolarHBondContact O-N 3.05Å; S278-L280 PolarHBondContact OG-N 3.24Å; L280-R295 WeakPolarHBondContact O-CB 3.44Å; L280-R295 PolarHBondContact O-N 2.8Å
281	S	75.2	Confident	73.5	Confident	26 Å²	26	51 Å²	51	18%	0.182	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	161.2	-176	63.9	0	0	0	0	113.2	S278 H292 F293	S278-S281 PolarHBondContact N-O 2.9Å; S278-S281 VanDerWaalsContact O-O 3.1Å; S278-S281 PolarHBondContact OG-N 3.12Å; S278-S281 PolarHBondContact OG-O 2.81Å; S278-S281 PolarHBondContact OG-OG 3.49Å; S281-H292 WeakPolarHBondContact CB-NE2 3.15Å; S281-H292 PolarHBondContact OG-NE2 3.34Å; S281-H292 VanDerWaalsContact OG-NE2 3.08Å; S281-F293 CarbonylContact C-O 3.48Å; S281-F293 WeakPolarHBondContact CA-O 3.43Å; S281-F293 VanDerWaalsContact CB-O 3.24Å; S281-F293 WeakPolarHBondContact CB-O 3.37Å
282	V	69.1	Low	75	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	139.8	171.2	64.9	0	0	0	0	110.2	V274 E276 L284 H292 F293 W299 F354	V274-V282 HydrophobicContact CG1-CG2 4.1Å; E276-V282 WeakPolarHBondContact O-CG2 3.25Å; V282-L284 HydrophobicContact CG1-CD1 4.35Å; V282-L284 HydrophobicContact CG1-CG 4.16Å; V282-L284 HydrophobicContact CG2-CD2 3.6Å; V282-L284 HydrophobicContact CG2-CG 3.92Å; V282-H292 WeakPolarHBondContact O-CA 3.42Å; V282-F293 HydrophobicContact CG1-CB 4Å; V282-F293 HydrophobicContact CG1-CD2 4.19Å; V282-F293 PolarHBondContact N-O 3.22Å; V282-F293 PolarHBondContact O-N 2.93Å; V282-W299 HydrophobicContact CB-CH2 3.81Å; V282-W299 HydrophobicContact CB-CZ2 4.45Å; V282-W299 HydrophobicContact CG1-CH2 3.59Å; V282-W299 HydrophobicContact CG1-CZ3 3.84Å; V282-W299 HydrophobicContact CG2-CH2 3.88Å; V282-F354 HydrophobicContact CG1-CZ 4.2Å
283	R	80.5	Confident	75.9	Confident	65 Å²	65	51.4 Å²	51.4	25%	0.245	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117.4	168	-66.5	176.8	65	-162.3	2	109.2	V275 E276 V290 F291 H292 E311	V275-R283 HydrophobicContact CB-CB 4.06Å; V275-R283 PolarHBondContact N-O 3.31Å; E276-R283 HydrophobicContact CB-CB 4Å; E276-R283 HydrophobicContact CB-CG 4.25Å; E276-R283 PolarHBondContact N-O 2.97Å; E276-R283 PolarHBondContact O-N 3.15Å; E276-R283 VanDerWaalsContact OE2-CD 3.29Å; E276-R283 WeakPolarHBondContact OE2-CD 3.29Å; E276-R283 IonicContact OE2-NH1 3.52Å; E276-R283 PolarHBondContact OE2-NH1 2.94Å; E276-R283 VanDerWaalsContact OE2-NH1 3.16Å; R283-V290 HydrophobicContact CB-CG1 4.36Å; R283-F291 CarbonylContact C-O 3.53Å; R283-F291 VanDerWaalsContact CA-O 3.25Å; R283-F291 WeakPolarHBondContact CA-O 3.48Å; R283-H292 HydrophobicContact CG-CB 3.94Å; R283-H292 VanDerWaalsContact CG-CD2 3.43Å; R283-H292 WeakPolarHBondContact CG-CD2 3.32Å; R283-E311 IonicContact NH2-OE1 3.71Å; R283-E311 PolarHBondContact NH2-OE1 2.81Å; R283-E311 IonicContact NH2-OE2 2.81Å
284	L	79.6	Confident	76.5	Confident	9 Å²	9	47.5 Å²	47.5	5%	0.047	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.5	178.9	-59.2	178.5	0	0	0	109	W272 K273 V274 V282 F291 F293 F354 L358	W272-L284 HydrophobicContact CB-CB 4.44Å; W272-L284 HydrophobicContact CE3-CB 3.74Å; W272-L284 HydrophobicContact CZ3-CB 4.44Å; K273-L284 CarbonylContact O-C 3.59Å; K273-L284 WeakPolarHBondContact O-CA 3.36Å; V274-L284 HydrophobicContact CB-CD2 4.26Å; V274-L284 HydrophobicContact CG2-CD2 3.69Å; V282-L284 HydrophobicContact CG1-CD1 4.35Å; V282-L284 HydrophobicContact CG1-CG 4.16Å; V282-L284 HydrophobicContact CG2-CD2 3.6Å; V282-L284 HydrophobicContact CG2-CG 3.92Å; L284-F291 PolarHBondContact N-O 3.44Å; L284-F291 PolarHBondContact O-N 3.14Å; L284-F293 HydrophobicContact CB-CE2 4.17Å; L284-F293 HydrophobicContact CD1-CD2 4.06Å; L284-F293 HydrophobicContact CD1-CE2 3.89Å; L284-F293 HydrophobicContact CG-CD2 4.29Å; L284-F293 HydrophobicContact CG-CE2 4.27Å; L284-F354 HydrophobicContact CD1-CE1 4.05Å; L284-F354 HydrophobicContact CD1-CZ 4.07Å; L284-L358 HydrophobicContact CD1-CD1 3.92Å; L284-L358 HydrophobicContact CD1-CD2 3.86Å
285	R	81.6	Confident	76.6	Confident	56 Å²	56	47.2 Å²	47.2	21%	0.211	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129	176.2	178.7	174.9	-76.2	178.8	-6.9	110.4	W272 K273 V275 K287 I289 V290 E311	W272-R285 CarbonylContact C-O 3.6Å; W272-R285 WeakPolarHBondContact CA-O 3.42Å; K273-R285 PolarHBondContact N-O 3.46Å; K273-R285 PolarHBondContact O-N 2.99Å; V275-R285 HydrophobicContact CG2-CB 3.49Å; V275-R285 VanDerWaalsContact CG2-CB 3.49Å; R285-K287 WeakPolarHBondContact CG-O 3.43Å; R285-I289 CarbonylContact C-O 3.53Å; R285-I289 VanDerWaalsContact CA-O 3.28Å; R285-I289 WeakPolarHBondContact CA-O 3.21Å; R285-V290 HydrophobicContact CB-CG2 3.93Å; R285-V290 HydrophobicContact CG-CG2 3.89Å; R285-E311 IonicContact CZ-OE2 3.83Å; R285-E311 IonicContact NH2-OE2 2.71Å; R285-E311 PolarHBondContact NH2-OE2 3.32Å
286	F	77.3	Confident	76.1	Confident	12 Å²	12	45.6 Å²	45.6	5%	0.053	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.7	166.9	-178.8	-111.3	0	0	0	108.9	P271 W272 D288 I289 Q362 I365 D366	P271-F286 HydrophobicContact CB-CD2 3.9Å; P271-F286 HydrophobicContact CB-CE2 3.56Å; P271-F286 HydrophobicContact CG-CD2 3.71Å; P271-F286 HydrophobicContact CG-CE2 3.24Å; P271-F286 HydrophobicContact CG-CZ 4.19Å; W272-F286 HydrophobicContact CD2-CB 3.66Å; W272-F286 HydrophobicContact CD2-CG 4.33Å; W272-F286 HydrophobicContact CE3-CB 3.61Å; W272-F286 HydrophobicContact CG-CB 4.26Å; W272-F286 HydrophobicContact CH2-CB 4.07Å; W272-F286 HydrophobicContact CZ2-CB 4.09Å; W272-F286 HydrophobicContact CZ2-CG 4.4Å; W272-F286 HydrophobicContact CZ3-CB 3.84Å; F286-D288 PolarHBondContact O-N 2.89Å; F286-I289 PolarHBondContact N-O 3.23Å; F286-I289 PolarHBondContact O-N 3.47Å; F286-Q362 HydrophobicContact CE1-CG 4.08Å; F286-Q362 HydrophobicContact CE2-CG 4.39Å; F286-Q362 HydrophobicContact CZ-CG 3.89Å; F286-I365 HydrophobicContact CD1-CB 3.99Å; F286-I365 HydrophobicContact CD1-CD1 3.68Å; F286-I365 HydrophobicContact CD1-CG1 4.44Å; F286-I365 HydrophobicContact CD1-CG2 3.64Å; F286-I365 HydrophobicContact CE1-CB 3.9Å; F286-I365 HydrophobicContact CE1-CD1 4.4Å; F286-I365 HydrophobicContact CE1-CG2 3.59Å; F286-D366 VanDerWaalsContact CZ-OD1 3.32Å; F286-D366 WeakPolarHBondContact CZ-OD1 3.46Å
287	K	78	Confident	75.7	Confident	80 Å²	80	50.1 Å²	50.1	35%	0.348	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	-119.2	-166.6	-58.8	-175	-177	179.4	0	111.1	R285 D366 T369	R285-K287 WeakPolarHBondContact CG-O 3.43Å; K287-D366 IonicContact NZ-OD1 2.73Å; K287-T369 VanDerWaalsContact NZ-CG2 3.29Å; K287-T369 PolarHBondContact NZ-OG1 3.48Å
288	D	82.5	Confident	75.2	Confident	35 Å²	35	49.9 Å²	49.9	19%	0.187	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	10.1	179.6	-63.1	-52.2	0	0	0	113	F286 F310 E311 P312 K313	F286-D288 PolarHBondContact O-N 2.89Å; D288-F310 HydrophobicContact CB-CD2 3.99Å; D288-F310 HydrophobicContact CB-CE2 3.54Å; D288-F310 HydrophobicContact CB-CZ 4.49Å; D288-F310 WeakPolarHBondContact O-CD2 3.36Å; D288-E311 CarbonylContact O-C 3.31Å; D288-E311 PolarHBondContact O-N 2.77Å; D288-P312 WeakPolarHBondContact OD1-CA 3.48Å; D288-K313 PolarHBondContact OD1-N 2.98Å
289	I	86.8	Confident	74.7	Confident	1 Å²	1	52 Å²	52	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.5	178.5	-48.2	177.3	0	0	0	109.3	R285 F286 F291 V308 S309 W329 F332 I365	R285-I289 CarbonylContact C-O 3.53Å; R285-I289 VanDerWaalsContact CA-O 3.28Å; R285-I289 WeakPolarHBondContact CA-O 3.21Å; F286-I289 PolarHBondContact N-O 3.23Å; F286-I289 PolarHBondContact O-N 3.47Å; I289-F291 HydrophobicContact CB-CE2 4.21Å; I289-F291 HydrophobicContact CG2-CD2 3.8Å; I289-F291 HydrophobicContact CG2-CE2 3.37Å; I289-F291 HydrophobicContact CG2-CZ 4.15Å; I289-V308 HydrophobicContact CG2-CG2 3.32Å; I289-S309 WeakPolarHBondContact CA-O 3.46Å; I289-W329 HydrophobicContact CD1-CD2 4.4Å; I289-W329 HydrophobicContact CD1-CE3 3.49Å; I289-W329 VanDerWaalsContact CD1-CE3 3.49Å; I289-W329 HydrophobicContact CD1-CH2 4.18Å; I289-W329 HydrophobicContact CD1-CZ3 3.37Å; I289-W329 HydrophobicContact CG1-CE3 4.09Å; I289-W329 HydrophobicContact CG1-CZ3 4.3Å; I289-F332 HydrophobicContact CD1-CD1 3.97Å; I289-F332 HydrophobicContact CD1-CE1 3.77Å; I289-I365 HydrophobicContact CD1-CD1 4.06Å; I289-I365 HydrophobicContact CD1-CG1 3.87Å; I289-I365 HydrophobicContact CD1-CG2 3.84Å
290	V	88.4	Confident	74.4	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.3	175.5	-176.6	0	0	0	0	109.2	R283 R285 V308 S309 E311	R283-V290 HydrophobicContact CB-CG1 4.36Å; R285-V290 HydrophobicContact CB-CG2 3.93Å; R285-V290 HydrophobicContact CG-CG2 3.89Å; V290-V308 CarbonylContact O-C 3.5Å; V290-V308 WeakPolarHBondContact O-CA 2.94Å; V290-S309 PolarHBondContact N-O 3.49Å; V290-S309 PolarHBondContact O-N 2.83Å; V290-S309 PolarHBondContact O-OG 3.44Å; V290-E311 HydrophobicContact CG2-CB 4.08Å; V290-E311 HydrophobicContact CG2-CG 4.14Å; V290-E311 WeakPolarHBondContact CG2-OE2 3.42Å
291	F	88	Confident	74.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.4	173	-72.9	-104.7	0	0	0	109.4	W272 R283 L284 I289 F293 T307 V308 V338 L361 I365	W272-F291 AromaticContact CH2-CD2 3.63Å; W272-F291 HydrophobicContact CH2-CD2 3.63Å; W272-F291 AromaticContact CH2-CE2 3.63Å; W272-F291 HydrophobicContact CH2-CE2 3.63Å; W272-F291 HydrophobicContact CH2-CG 4.29Å; W272-F291 HydrophobicContact CH2-CZ 4.34Å; W272-F291 HydrophobicContact CZ3-CB 4.25Å; W272-F291 AromaticContact CZ3-CD2 3.36Å; W272-F291 HydrophobicContact CZ3-CD2 3.36Å; W272-F291 AromaticContact CZ3-CE2 3.86Å; W272-F291 HydrophobicContact CZ3-CE2 3.86Å; W272-F291 AromaticContact CZ3-CG 3.98Å; W272-F291 HydrophobicContact CZ3-CG 3.98Å; R283-F291 CarbonylContact C-O 3.53Å; R283-F291 VanDerWaalsContact CA-O 3.25Å; R283-F291 WeakPolarHBondContact CA-O 3.48Å; L284-F291 PolarHBondContact N-O 3.44Å; L284-F291 PolarHBondContact O-N 3.14Å; I289-F291 HydrophobicContact CB-CE2 4.21Å; I289-F291 HydrophobicContact CG2-CD2 3.8Å; I289-F291 HydrophobicContact CG2-CE2 3.37Å; I289-F291 HydrophobicContact CG2-CZ 4.15Å; F291-F293 HydrophobicContact CB-CD2 3.97Å; F291-F293 HydrophobicContact CB-CE1 4.32Å; F291-F293 HydrophobicContact CB-CE2 3.24Å; F291-F293 HydrophobicContact CB-CZ 3.44Å; F291-F293 VanDerWaalsContact CB-CZ 3.44Å; F291-F293 HydrophobicContact CD1-CE1 4.31Å; F291-F293 AromaticContact CD1-CZ 3.86Å; F291-F293 HydrophobicContact CD1-CZ 3.86Å; F291-F293 HydrophobicContact CG-CE2 4.11Å; F291-F293 AromaticContact CG-CZ 3.84Å; F291-F293 HydrophobicContact CG-CZ 3.84Å; F291-T307 CarbonylContact C-O 3.48Å; F291-T307 WeakPolarHBondContact CA-O 3.47Å; F291-V308 HydrophobicContact CD1-CB 3.84Å; F291-V308 HydrophobicContact CD1-CG2 3.83Å; F291-V308 HydrophobicContact CD2-CG2 3.89Å; F291-V308 HydrophobicContact CE1-CB 3.78Å; F291-V308 HydrophobicContact CE1-CG2 3.54Å; F291-V308 HydrophobicContact CE2-CG2 3.65Å; F291-V308 HydrophobicContact CG-CB 4.31Å; F291-V308 HydrophobicContact CG-CG2 4.01Å; F291-V308 HydrophobicContact CZ-CB 4.23Å; F291-V308 HydrophobicContact CZ-CG2 3.46Å; F291-V308 VanDerWaalsContact CZ-CG2 3.46Å; F291-V338 HydrophobicContact CE1-CG1 4.05Å; F291-V338 HydrophobicContact CZ-CG1 3.96Å; F291-L361 HydrophobicContact CD1-CD1 4.06Å; F291-L361 HydrophobicContact CE1-CD1 3.79Å; F291-L361 HydrophobicContact CE1-CD2 3.84Å; F291-L361 HydrophobicContact CE1-CG 4.41Å; F291-L361 HydrophobicContact CZ-CD1 4.26Å; F291-L361 HydrophobicContact CZ-CD2 4.02Å; F291-I365 HydrophobicContact CE2-CD1 3.8Å; F291-I365 HydrophobicContact CZ-CD1 4.21Å
292	H	88.3	Confident	74.2	Confident	74 Å²	74	44.7 Å²	44.7	34%	0.343	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	106.1	171.2	-178.8	-147.7	0	0	0	108.7	S281 V282 R283 W306 T307	S281-H292 WeakPolarHBondContact CB-NE2 3.15Å; S281-H292 PolarHBondContact OG-NE2 3.34Å; S281-H292 VanDerWaalsContact OG-NE2 3.08Å; V282-H292 WeakPolarHBondContact O-CA 3.42Å; R283-H292 HydrophobicContact CG-CB 3.94Å; R283-H292 VanDerWaalsContact CG-CD2 3.43Å; R283-H292 WeakPolarHBondContact CG-CD2 3.32Å; H292-W306 CarbonylContact O-C 3.46Å; H292-W306 WeakPolarHBondContact O-CA 2.97Å; H292-W306 WeakPolarHBondContact O-CB 3.33Å; H292-T307 PolarHBondContact N-O 2.87Å; H292-T307 PolarHBondContact O-N 3.25Å
293	F	83	Confident	74.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	134.5	-179.6	-59.9	-85.3	0	0	0	110.3	S281 V282 L284 F291 P303 W306 F354 L358 L361	S281-F293 CarbonylContact C-O 3.48Å; S281-F293 WeakPolarHBondContact CA-O 3.43Å; S281-F293 VanDerWaalsContact CB-O 3.24Å; S281-F293 WeakPolarHBondContact CB-O 3.37Å; V282-F293 HydrophobicContact CG1-CB 4Å; V282-F293 HydrophobicContact CG1-CD2 4.19Å; V282-F293 PolarHBondContact N-O 3.22Å; V282-F293 PolarHBondContact O-N 2.93Å; L284-F293 HydrophobicContact CB-CE2 4.17Å; L284-F293 HydrophobicContact CD1-CD2 4.06Å; L284-F293 HydrophobicContact CD1-CE2 3.89Å; L284-F293 HydrophobicContact CG-CD2 4.29Å; L284-F293 HydrophobicContact CG-CE2 4.27Å; F291-F293 HydrophobicContact CB-CD2 3.97Å; F291-F293 HydrophobicContact CB-CE1 4.32Å; F291-F293 HydrophobicContact CB-CE2 3.24Å; F291-F293 HydrophobicContact CB-CZ 3.44Å; F291-F293 VanDerWaalsContact CB-CZ 3.44Å; F291-F293 HydrophobicContact CD1-CE1 4.31Å; F291-F293 AromaticContact CD1-CZ 3.86Å; F291-F293 HydrophobicContact CD1-CZ 3.86Å; F291-F293 HydrophobicContact CG-CE2 4.11Å; F291-F293 AromaticContact CG-CZ 3.84Å; F291-F293 HydrophobicContact CG-CZ 3.84Å; F293-P303 HydrophobicContact CD1-CB 4.23Å; F293-P303 HydrophobicContact CD1-CG 3.99Å; F293-W306 HydrophobicContact CD1-CB 3.52Å; F293-W306 HydrophobicContact CD1-CD2 4.01Å; F293-W306 AromaticContact CD1-CE3 3.7Å; F293-W306 HydrophobicContact CD1-CE3 3.7Å; F293-W306 AromaticContact CD1-CG 4Å; F293-W306 HydrophobicContact CD1-CG 4Å; F293-W306 HydrophobicContact CE1-CB 3.95Å; F293-W306 AromaticContact CE1-CD2 3.78Å; F293-W306 HydrophobicContact CE1-CD2 3.78Å; F293-W306 AromaticContact CE1-CE3 3.62Å; F293-W306 HydrophobicContact CE1-CE3 3.62Å; F293-W306 AromaticContact CE1-CG 3.96Å; F293-W306 HydrophobicContact CE1-CG 3.96Å; F293-W306 HydrophobicContact CE1-CZ3 4.45Å; F293-W306 HydrophobicContact CG-CB 4.19Å; F293-F354 HydrophobicContact CB-CE2 3.81Å; F293-F354 HydrophobicContact CB-CZ 4.1Å; F293-F354 AromaticContact CD1-CE2 3.84Å; F293-F354 HydrophobicContact CD1-CE2 3.84Å; F293-F354 HydrophobicContact CD1-CZ 4.17Å; F293-F354 HydrophobicContact CD2-CE2 4.25Å; F293-F354 AromaticContact CD2-CZ 3.81Å; F293-F354 HydrophobicContact CD2-CZ 3.81Å; F293-F354 HydrophobicContact CE2-CZ 4.25Å; F293-F354 AromaticContact CG-CE2 3.71Å; F293-F354 HydrophobicContact CG-CE2 3.71Å; F293-F354 AromaticContact CG-CZ 3.76Å; F293-F354 HydrophobicContact CG-CZ 3.76Å; F293-L358 HydrophobicContact CE1-CD2 4.49Å; F293-L358 HydrophobicContact CE2-CD2 3.81Å; F293-L358 HydrophobicContact CZ-CD2 3.65Å; F293-L361 HydrophobicContact CE1-CD1 4.02Å; F293-L361 HydrophobicContact CZ-CD1 3.85Å
294	S	80.7	Confident	74.8	Confident	18 Å²	18	45.7 Å²	45.7	13%	0.126	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	137.7	159.4	67.1	0	0	0	0	109	S304 E305	S294-S304 PolarHBondContact OG-OG 2.48Å; S294-E305 PolarHBondContact N-O 3.19Å; S294-E305 VanDerWaalsContact OG-CG 3.22Å; S294-E305 WeakPolarHBondContact OG-CG 3.49Å; S294-E305 PolarHBondContact OG-N 3.27Å; S294-E305 VanDerWaalsContact OG-N 3.11Å; S294-E305 PolarHBondContact OG-O 2.86Å
295	R	65	Low	75.1	Confident	64 Å²	64	51.5 Å²	51.5	24%	0.242	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-77.8	130.1	171.1	-72.2	-178.9	174.5	179	10.1	108.2	S277 S278 T279 L280 W299	S277-R295 PolarHBondContact OG-NH2 3.49Å; S278-R295 PolarHBondContact O-NE 2.9Å; S278-R295 PolarHBondContact O-NH1 3.44Å; S278-R295 PolarHBondContact O-NH2 2.85Å; T279-R295 WeakPolarHBondContact O-CD 3.43Å; L280-R295 WeakPolarHBondContact O-CB 3.44Å; L280-R295 PolarHBondContact O-N 2.8Å; R295-W299 VanDerWaalsContact NH2-CZ2 3.26Å
296	G	61.5	Low	75.6	Confident	34 Å²	34	49.3 Å²	49.3	35%	0.351	25%	0.246	S	C	.	.			trans	-69.9	-152.8	167.4	0	0	0	0	0	111.5	D298	G296-D298 PolarHBondContact O-N 3.45Å
297	K	60.4	Low	76.2	Confident	199 Å²	199	53 Å²	53	87%	0.865	27%	0.269	S	S	*	.	S	Bend	trans	-63	-33.4	172	-70.6	-179	178.3	178.2	0	111.6
298	D	54.7	Low	76.8	Confident	68 Å²	68	50.3 Å²	50.3	36%	0.364	26%	0.26	S	S	.	.	S	Bend	trans	-152.8	-174.6	175.2	67.4	13.1	0	0	0	111.6	G296 N300 D301	G296-D298 PolarHBondContact O-N 3.45Å; D298-N300 PolarHBondContact O-N 3.23Å; D298-N300 WeakPolarHBondContact OD1-CA 3.41Å; D298-N300 VanDerWaalsContact OD1-CB 3.29Å; D298-N300 WeakPolarHBondContact OD1-CB 3.46Å; D298-N300 PolarHBondContact OD1-N 2.97Å; D298-N300 PolarHBondContact OD2-ND2 3.03Å; D298-D301 PolarHBondContact OD1-N 3.2Å; D298-D301 VanDerWaalsContact OD1-N 3.07Å
299	W	55.5	Low	77.2	Confident	88 Å²	88	50.9 Å²	50.9	33%	0.333	27%	0.266	S	S	.	.	S	Bend	trans	-79	0.4	174.8	-73	99	0	0	0	114.2	V282 R295 F354	V282-W299 HydrophobicContact CB-CH2 3.81Å; V282-W299 HydrophobicContact CB-CZ2 4.45Å; V282-W299 HydrophobicContact CG1-CH2 3.59Å; V282-W299 HydrophobicContact CG1-CZ3 3.84Å; V282-W299 HydrophobicContact CG2-CH2 3.88Å; R295-W299 VanDerWaalsContact NH2-CZ2 3.26Å; W299-F354 AromaticContact CE3-CD1 3.64Å; W299-F354 HydrophobicContact CE3-CD1 3.64Å; W299-F354 AromaticContact CE3-CE1 3.62Å; W299-F354 HydrophobicContact CE3-CE1 3.62Å; W299-F354 HydrophobicContact CE3-CG 4.19Å; W299-F354 HydrophobicContact CE3-CZ 4.16Å; W299-F354 AromaticContact CZ3-CD1 3.9Å; W299-F354 HydrophobicContact CZ3-CD1 3.9Å; W299-F354 AromaticContact CZ3-CE1 3.35Å; W299-F354 HydrophobicContact CZ3-CE1 3.35Å; W299-F354 AromaticContact CZ3-CZ 3.75Å; W299-F354 HydrophobicContact CZ3-CZ 3.75Å; W299-F354 WeakPolarHBondContact O-CB 3.47Å
300	N	56.6	Low	77.2	Confident	26 Å²	26	52.6 Å²	52.6	14%	0.139	27%	0.274	C	S	.	.	S	Bend	trans	-91.7	-28.5	179.3	-58.4	-53.3	0	0	0	111.4	T165 D298 R353	T165-N300 VanDerWaalsContact CG2-ND2 3.29Å; T165-N300 WeakPolarHBondContact CG2-ND2 3.34Å; T165-N300 PolarHBondContact OG1-OD1 3.16Å; D298-N300 PolarHBondContact O-N 3.23Å; D298-N300 WeakPolarHBondContact OD1-CA 3.41Å; D298-N300 VanDerWaalsContact OD1-CB 3.29Å; D298-N300 WeakPolarHBondContact OD1-CB 3.46Å; D298-N300 PolarHBondContact OD1-N 2.97Å; D298-N300 PolarHBondContact OD2-ND2 3.03Å; N300-R353 WeakPolarHBondContact O-CA 3.29Å; N300-R353 WeakPolarHBondContact O-CB 3.2Å; N300-R353 VanDerWaalsContact O-CG 3.29Å; N300-R353 WeakPolarHBondContact O-CG 3.17Å
301	D	68.3	Low	77	Confident	74 Å²	74	55.3 Å²	55.3	40%	0.396	29%	0.286	S	S	.	.	S	Bend	trans	-78.1	156.9	-176.7	-71.8	-24.2	0	0	0	113.2	D298 F354	D298-D301 PolarHBondContact OD1-N 3.2Å; D298-D301 VanDerWaalsContact OD1-N 3.07Å; D301-F354 WeakPolarHBondContact O-CB 3.34Å; D301-F354 PolarHBondContact O-N 3.39Å
302	F	73.3	Confident	76.4	Confident	33 Å²	33	58.5 Å²	58.5	15%	0.145	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-59.1	134.5	167.9	-169.2	-98.2	0	0	0	109.8	S304 W306 C341 F344 K345 A351 N352 V357	F302-S304 PolarHBondContact O-N 3.17Å; F302-W306 HydrophobicContact CE1-CZ3 4.41Å; F302-W306 HydrophobicContact CZ-CH2 4.04Å; F302-W306 HydrophobicContact CZ-CZ3 4.03Å; F302-C341 HydrophobicContact CE1-CB 4.09Å; F302-F344 HydrophobicContact CE2-CD1 4.18Å; F302-F344 HydrophobicContact CZ-CD1 4.21Å; F302-K345 HydrophobicContact CD1-CD 4.29Å; F302-K345 HydrophobicContact CE1-CB 4.16Å; F302-K345 HydrophobicContact CE1-CD 4.12Å; F302-K345 HydrophobicContact CE1-CG 4.5Å; F302-K345 HydrophobicContact CE2-CB 4.25Å; F302-K345 HydrophobicContact CE2-CG 4.35Å; F302-K345 HydrophobicContact CZ-CB 3.71Å; F302-K345 HydrophobicContact CZ-CD 4.3Å; F302-K345 HydrophobicContact CZ-CG 4.18Å; F302-A351 WeakPolarHBondContact CD2-O 3.31Å; F302-A351 WeakPolarHBondContact CE2-O 3.22Å; F302-N352 WeakPolarHBondContact CB-O 3.45Å; F302-N352 PolarHBondContact N-O 3.43Å; F302-N352 VanDerWaalsContact N-O 3.15Å; F302-V357 HydrophobicContact CD2-CG2 3.42Å; F302-V357 VanDerWaalsContact CD2-CG2 3.42Å; F302-V357 HydrophobicContact CE2-CG2 3.37Å; F302-V357 HydrophobicContact CZ-CG2 4.4Å
303	P	78.3	Confident	75.3	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.006	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-58.2	137.3	175.3	-11.5	20.4	0	0	0	110.9	F293 E305 W306 F354 V357	F293-P303 HydrophobicContact CD1-CB 4.23Å; F293-P303 HydrophobicContact CD1-CG 3.99Å; P303-E305 VanDerWaalsContact C-N 3.34Å; P303-W306 HydrophobicContact CB-CE3 3.76Å; P303-W306 HydrophobicContact CB-CZ3 4.13Å; P303-W306 HydrophobicContact CG-CE3 3.64Å; P303-W306 HydrophobicContact CG-CZ3 3.69Å; P303-F354 HydrophobicContact CB-CD2 4.44Å; P303-F354 HydrophobicContact CB-CE2 4.45Å; P303-F354 HydrophobicContact CG-CD2 3.57Å; P303-F354 HydrophobicContact CG-CE2 3.76Å; P303-V357 HydrophobicContact CG-CG1 4.4Å
304	S	82.9	Confident	74.1	Confident	86 Å²	86	65.7 Å²	65.7	60%	0.601	35%	0.346	S	S	*	.	S	Bend	trans	-69.7	-36.7	176	56.3	0	0	0	0	111.8	S294 F302	S294-S304 PolarHBondContact OG-OG 2.48Å; F302-S304 PolarHBondContact O-N 3.17Å
305	E	87.1	Confident	72.8	Confident	132 Å²	132	70.2 Å²	70.2	62%	0.617	38%	0.376	S	S	*	.			trans	-153.3	155.9	-179.6	58.1	-176.1	-177.2	0	0	110	S294 P303 C341	S294-E305 PolarHBondContact N-O 3.19Å; S294-E305 VanDerWaalsContact OG-CG 3.22Å; S294-E305 WeakPolarHBondContact OG-CG 3.49Å; S294-E305 PolarHBondContact OG-N 3.27Å; S294-E305 VanDerWaalsContact OG-N 3.11Å; S294-E305 PolarHBondContact OG-O 2.86Å; P303-E305 VanDerWaalsContact C-N 3.34Å; E305-C341 WeakPolarHBondContact CA-SG 3.49Å
306	W	90.3	Very high	72.3	Confident	10 Å²	10	69.8 Å²	69.8	4%	0.038	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	160.4	166.2	62.7	63	0	0	0	110.1	H292 F293 F302 P303 V338 C341 F344 V357	H292-W306 CarbonylContact O-C 3.46Å; H292-W306 WeakPolarHBondContact O-CA 2.97Å; H292-W306 WeakPolarHBondContact O-CB 3.33Å; F293-W306 HydrophobicContact CD1-CB 3.52Å; F293-W306 HydrophobicContact CD1-CD2 4.01Å; F293-W306 AromaticContact CD1-CE3 3.7Å; F293-W306 HydrophobicContact CD1-CE3 3.7Å; F293-W306 AromaticContact CD1-CG 4Å; F293-W306 HydrophobicContact CD1-CG 4Å; F293-W306 HydrophobicContact CE1-CB 3.95Å; F293-W306 AromaticContact CE1-CD2 3.78Å; F293-W306 HydrophobicContact CE1-CD2 3.78Å; F293-W306 AromaticContact CE1-CE3 3.62Å; F293-W306 HydrophobicContact CE1-CE3 3.62Å; F293-W306 AromaticContact CE1-CG 3.96Å; F293-W306 HydrophobicContact CE1-CG 3.96Å; F293-W306 HydrophobicContact CE1-CZ3 4.45Å; F293-W306 HydrophobicContact CG-CB 4.19Å; F302-W306 HydrophobicContact CE1-CZ3 4.41Å; F302-W306 HydrophobicContact CZ-CH2 4.04Å; F302-W306 HydrophobicContact CZ-CZ3 4.03Å; P303-W306 HydrophobicContact CB-CE3 3.76Å; P303-W306 HydrophobicContact CB-CZ3 4.13Å; P303-W306 HydrophobicContact CG-CE3 3.64Å; P303-W306 HydrophobicContact CG-CZ3 3.69Å; W306-V338 PolarHBondContact NE1-O 2.86Å; W306-C341 VanDerWaalsContact CE2-SG 3.58Å; W306-C341 HydrophobicContact CE3-CB 4.43Å; W306-C341 HydrophobicContact CH2-CB 4.34Å; W306-C341 HydrophobicContact CZ3-CB 4.26Å; W306-C341 VanDerWaalsContact CZ3-SG 3.56Å; W306-C341 PolarHBondContact N-SG 2.97Å; W306-F344 HydrophobicContact CH2-CB 3.74Å; W306-F344 AromaticContact CH2-CD1 3.63Å; W306-F344 HydrophobicContact CH2-CD1 3.63Å; W306-F344 HydrophobicContact CH2-CD2 4.27Å; W306-F344 HydrophobicContact CH2-CE1 4.24Å; W306-F344 AromaticContact CH2-CG 3.61Å; W306-F344 HydrophobicContact CH2-CG 3.61Å; W306-F344 HydrophobicContact CZ2-CB 3.67Å; W306-F344 HydrophobicContact CZ2-CD1 4.22Å; W306-F344 HydrophobicContact CZ2-CD2 4.06Å; W306-F344 AromaticContact CZ2-CG 3.72Å; W306-F344 HydrophobicContact CZ2-CG 3.72Å; W306-V357 HydrophobicContact CE3-CG1 4.27Å; W306-V357 HydrophobicContact CH2-CG1 3.66Å; W306-V357 HydrophobicContact CZ3-CG1 3.46Å; W306-V357 VanDerWaalsContact CZ3-CG1 3.46Å
307	T	90.6	Very high	72	Confident	89 Å²	89	75.4 Å²	75.4	55%	0.546	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	158.2	166.3	61	0	0	0	0	109.4	F291 H292	F291-T307 CarbonylContact C-O 3.48Å; F291-T307 WeakPolarHBondContact CA-O 3.47Å; H292-T307 PolarHBondContact N-O 2.87Å; H292-T307 PolarHBondContact O-N 3.25Å
308	V	91.3	Very high	71.9	Confident	24 Å²	24	72.6 Å²	72.6	15%	0.145	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132.2	-175.2	61.9	0	0	0	0	109.8	I289 V290 F291 C333 V338	I289-V308 HydrophobicContact CG2-CG2 3.32Å; V290-V308 CarbonylContact O-C 3.5Å; V290-V308 WeakPolarHBondContact O-CA 2.94Å; F291-V308 HydrophobicContact CD1-CB 3.84Å; F291-V308 HydrophobicContact CD1-CG2 3.83Å; F291-V308 HydrophobicContact CD2-CG2 3.89Å; F291-V308 HydrophobicContact CE1-CB 3.78Å; F291-V308 HydrophobicContact CE1-CG2 3.54Å; F291-V308 HydrophobicContact CE2-CG2 3.65Å; F291-V308 HydrophobicContact CG-CB 4.31Å; F291-V308 HydrophobicContact CG-CG2 4.01Å; F291-V308 HydrophobicContact CZ-CB 4.23Å; F291-V308 HydrophobicContact CZ-CG2 3.46Å; F291-V308 VanDerWaalsContact CZ-CG2 3.46Å; V308-C333 HydrophobicContact CG1-CB 4.02Å; V308-C333 VanDerWaalsContact CG1-O 3.23Å; V308-C333 WeakPolarHBondContact CG1-O 3.34Å; V308-C333 HydrophobicContact CG2-CB 4.42Å; V308-V338 HydrophobicContact CG1-CG1 4.12Å; V308-V338 HydrophobicContact CG2-CG1 4.37Å
309	S	89.5	Confident	72.2	Confident	46 Å²	46	76.9 Å²	76.9	32%	0.322	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.9	179.6	55.5	0	0	0	0	111	I289 V290 E311	I289-S309 WeakPolarHBondContact CA-O 3.46Å; V290-S309 PolarHBondContact N-O 3.49Å; V290-S309 PolarHBondContact O-N 2.83Å; V290-S309 PolarHBondContact O-OG 3.44Å; S309-E311 PolarHBondContact OG-OE1 2.84Å; S309-E311 VanDerWaalsContact OG-OE1 3.09Å
310	F	86.6	Confident	72.5	Confident	38 Å²	38	76.1 Å²	76.1	17%	0.167	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.9	168.2	176.8	-116.7	0	0	0	109.1	D288 P312 E325 R326 W329	D288-F310 HydrophobicContact CB-CD2 3.99Å; D288-F310 HydrophobicContact CB-CE2 3.54Å; D288-F310 HydrophobicContact CB-CZ 4.49Å; D288-F310 WeakPolarHBondContact O-CD2 3.36Å; F310-P312 HydrophobicContact CD1-CG 4.41Å; F310-P312 HydrophobicContact CE1-CB 4.17Å; F310-P312 HydrophobicContact CE1-CG 3.77Å; F310-P312 HydrophobicContact CE2-CB 4.31Å; F310-P312 HydrophobicContact CZ-CB 3.78Å; F310-P312 HydrophobicContact CZ-CG 3.92Å; F310-E325 HydrophobicContact CZ-CG 4.36Å; F310-R326 HydrophobicContact CD1-CG 4.46Å; F310-R326 HydrophobicContact CE1-CB 4.24Å; F310-R326 HydrophobicContact CE1-CG 4.27Å; F310-W329 HydrophobicContact CB-CB 4.2Å; F310-W329 HydrophobicContact CD1-CB 4.2Å; F310-W329 HydrophobicContact CD2-CB 3.37Å; F310-W329 AromaticContact CD2-CD1 3.91Å; F310-W329 AromaticContact CD2-CG 3.69Å; F310-W329 HydrophobicContact CD2-CG 3.69Å; F310-W329 HydrophobicContact CE1-CB 4.44Å; F310-W329 HydrophobicContact CE2-CB 3.65Å; F310-W329 AromaticContact CE2-CD1 3.28Å; F310-W329 AromaticContact CE2-CG 3.57Å; F310-W329 HydrophobicContact CE2-CG 3.57Å; F310-W329 HydrophobicContact CG-CB 3.66Å; F310-W329 HydrophobicContact CG-CG 4.45Å; F310-W329 HydrophobicContact CZ-CB 4.19Å; F310-W329 AromaticContact CZ-CD1 3.72Å; F310-W329 HydrophobicContact CZ-CG 4.25Å
311	E	84.8	Confident	73	Confident	57 Å²	57	76.3 Å²	76.3	27%	0.266	42%	0.417	S	S	.	.			trans	-133.5	80.6	-177.6	-64.9	179.3	-159.5	0	0	109.5	R283 R285 D288 V290 S309	R283-E311 IonicContact NH2-OE1 3.71Å; R283-E311 PolarHBondContact NH2-OE1 2.81Å; R283-E311 IonicContact NH2-OE2 2.81Å; R285-E311 IonicContact CZ-OE2 3.83Å; R285-E311 IonicContact NH2-OE2 2.71Å; R285-E311 PolarHBondContact NH2-OE2 3.32Å; D288-E311 CarbonylContact O-C 3.31Å; D288-E311 PolarHBondContact O-N 2.77Å; V290-E311 HydrophobicContact CG2-CB 4.08Å; V290-E311 HydrophobicContact CG2-CG 4.14Å; V290-E311 WeakPolarHBondContact CG2-OE2 3.42Å; S309-E311 PolarHBondContact OG-OE1 2.84Å; S309-E311 VanDerWaalsContact OG-OE1 3.09Å
312	P	75.3	Confident	73	Confident	68 Å²	68	74.8 Å²	74.8	44%	0.442	41%	0.407	S	S	.	.			trans	-63.6	138.5	-175.6	24.9	-32.8	0	0	0	112.5	D288 F310	D288-P312 WeakPolarHBondContact OD1-CA 3.48Å; F310-P312 HydrophobicContact CD1-CG 4.41Å; F310-P312 HydrophobicContact CE1-CB 4.17Å; F310-P312 HydrophobicContact CE1-CG 3.77Å; F310-P312 HydrophobicContact CE2-CB 4.31Å; F310-P312 HydrophobicContact CZ-CB 3.78Å; F310-P312 HydrophobicContact CZ-CG 3.92Å
313	K	65.5	Low	72.9	Confident	117 Å²	117	79.1 Å²	79.1	51%	0.509	43%	0.428	S	S	.	.	S	Bend	trans	-78.9	-27.5	177.7	-71.4	-177.6	-173	164.9	0	114.3	D288	D288-K313 PolarHBondContact OD1-N 2.98Å
314	V	59	Low	72.6	Confident	108 Å²	108	79.2 Å²	79.2	66%	0.655	43%	0.428	S	S	*	.	S	Bend	trans	-128.5	129.5	-174.8	-177.3	0	0	0	0	107.7	L316	V314-L316 PolarHBondContact O-N 3.21Å
315	C	52.7	Low	72.3	Confident	112 Å²	112	77.1 Å²	77.1	76%	0.757	41%	0.409	S	S	*	.			trans	-72.6	121.4	164.3	-62	0	0	0	0	107.3	E322	C315-E322 WeakPolarHBondContact CA-OE1 3.11Å
316	L	54.2	Low	71.8	Confident	55 Å²	55	77.3 Å²	77.3	29%	0.288	40%	0.404	S	S	.	.			trans	-70.6	145.2	176.7	-44.2	157.8	0	0	0	107.9	V314 Y318 L321 E322 E325	V314-L316 PolarHBondContact O-N 3.21Å; L316-Y318 PolarHBondContact O-N 2.87Å; L316-Y318 VanDerWaalsContact O-N 3.13Å; L316-L321 HydrophobicContact CD1-CD2 4.35Å; L316-L321 HydrophobicContact CD1-CG 4.13Å; L316-E322 HydrophobicContact CB-CG 3.48Å; L316-E322 VanDerWaalsContact CB-CG 3.48Å; L316-E322 HydrophobicContact CD1-CB 4.46Å; L316-E322 HydrophobicContact CD1-CG 3.95Å; L316-E322 HydrophobicContact CG-CG 4.02Å; L316-E322 PolarHBondContact N-OE1 2.87Å; L316-E322 WeakPolarHBondContact O-CG 3.37Å; L316-E325 HydrophobicContact CD1-CB 4.36Å; L316-E325 WeakPolarHBondContact CD1-OE2 3.24Å
317	T	54.9	Low	71.2	Confident	153 Å²	153	78.7 Å²	78.7	94%	0.939	41%	0.412	S	S	*	.	S	Bend	trans	-77.5	2.7	-176.2	45.8	0	0	0	0	114.2
318	Y	58.7	Low	70.6	Confident	139 Å²	139	74.5 Å²	74.5	55%	0.545	39%	0.386	S	S	.	.			trans	-128.4	103.7	-172.5	-171.1	-108.3	0	0	0	111.7	L316 P320 L321 E322	L316-Y318 PolarHBondContact O-N 2.87Å; L316-Y318 VanDerWaalsContact O-N 3.13Å; Y318-P320 HydrophobicContact CD1-CB 4.34Å; Y318-P320 HydrophobicContact CD1-CG 4.25Å; Y318-P320 HydrophobicContact CE1-CB 3.81Å; Y318-P320 HydrophobicContact CE1-CG 3.67Å; Y318-P320 HydrophobicContact CE2-CG 4.46Å; Y318-L321 HydrophobicContact CD1-CB 3.73Å; Y318-L321 PolarHBondContact O-N 2.81Å; Y318-E322 PolarHBondContact O-N 3.29Å
319	E	60.5	Low	70.3	Confident	159 Å²	159	73.6 Å²	73.6	74%	0.743	38%	0.38	S	S	*	.	H	α-helix	trans	-50.8	-45.3	-171	-70.8	179.6	162.7	0	0	114.8	L321 E322 E323	E319-L321 VanDerWaalsContact C-N 3.31Å; E319-L321 PolarHBondContact O-N 2.98Å; E319-E322 WeakPolarHBondContact O-CB 3.19Å; E319-E322 PolarHBondContact O-N 2.6Å; E319-E323 PolarHBondContact O-N 3.28Å
320	P	62.1	Low	69.9	Low	72 Å²	72	73.3 Å²	73.3	47%	0.468	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-33.8	-179.5	-22.6	33.6	0	0	0	113.7	Y318 L324	Y318-P320 HydrophobicContact CD1-CB 4.34Å; Y318-P320 HydrophobicContact CD1-CG 4.25Å; Y318-P320 HydrophobicContact CE1-CB 3.81Å; Y318-P320 HydrophobicContact CE1-CG 3.67Å; Y318-P320 HydrophobicContact CE2-CG 4.46Å; P320-L324 PolarHBondContact O-N 3.08Å
321	L	66.3	Low	69.5	Low	30 Å²	30	72.3 Å²	72.3	16%	0.157	37%	0.374	C	S	.	.	H	α-helix	trans	-75.6	-37.6	177.7	-176.7	69.5	0	0	0	110.7	L316 Y318 E319 L324 E325 V376 L379	L316-L321 HydrophobicContact CD1-CD2 4.35Å; L316-L321 HydrophobicContact CD1-CG 4.13Å; Y318-L321 HydrophobicContact CD1-CB 3.73Å; Y318-L321 PolarHBondContact O-N 2.81Å; E319-L321 VanDerWaalsContact C-N 3.31Å; E319-L321 PolarHBondContact O-N 2.98Å; L321-L324 PolarHBondContact O-N 3.5Å; L321-E325 WeakPolarHBondContact O-CB 3.27Å; L321-E325 PolarHBondContact O-N 2.8Å; L321-V376 HydrophobicContact CD1-CB 4.24Å; L321-V376 HydrophobicContact CD1-CG1 3.76Å; L321-V376 HydrophobicContact CD1-CG2 3.5Å; L321-V376 VanDerWaalsContact CD1-CG2 3.5Å; L321-L379 HydrophobicContact CD1-CD1 4.46Å
322	E	70	Confident	69.5	Low	42 Å²	42	69.7 Å²	69.7	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-59.1	-46.2	173.4	-72.7	-163.7	128.5	0	0	112.1	C315 L316 Y318 E319 L324 R326	C315-E322 WeakPolarHBondContact CA-OE1 3.11Å; L316-E322 HydrophobicContact CB-CG 3.48Å; L316-E322 VanDerWaalsContact CB-CG 3.48Å; L316-E322 HydrophobicContact CD1-CB 4.46Å; L316-E322 HydrophobicContact CD1-CG 3.95Å; L316-E322 HydrophobicContact CG-CG 4.02Å; L316-E322 PolarHBondContact N-OE1 2.87Å; L316-E322 WeakPolarHBondContact O-CG 3.37Å; Y318-E322 PolarHBondContact O-N 3.29Å; E319-E322 WeakPolarHBondContact O-CB 3.19Å; E319-E322 PolarHBondContact O-N 2.6Å; E322-L324 VanDerWaalsContact C-N 3.33Å; E322-R326 WeakPolarHBondContact O-CB 3.45Å; E322-R326 PolarHBondContact O-N 3.22Å
323	E	69.9	Low	70	Confident	123 Å²	123	67 Å²	67	58%	0.575	34%	0.344	S	S	*	.	H	α-helix	trans	-63.4	-42.9	179.9	-171.6	179.4	178.1	0	0	110.8	E319 N327	E319-E323 PolarHBondContact O-N 3.28Å; E323-N327 VanDerWaalsContact O-CB 3.28Å; E323-N327 WeakPolarHBondContact O-CB 3.25Å; E323-N327 PolarHBondContact O-N 3.46Å; E323-N327 PolarHBondContact O-ND2 2.81Å
324	L	72.1	Confident	70.8	Confident	4 Å²	4	69.6 Å²	69.6	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-60.7	-54.1	176.7	-172.3	105.2	0	0	0	112.1	P320 L321 E322 R326 N327 F328 L372 V376 L379 L387	P320-L324 PolarHBondContact O-N 3.08Å; L321-L324 PolarHBondContact O-N 3.5Å; E322-L324 VanDerWaalsContact C-N 3.33Å; L324-R326 VanDerWaalsContact C-N 3.32Å; L324-R326 PolarHBondContact O-N 2.95Å; L324-N327 PolarHBondContact O-N 2.83Å; L324-F328 VanDerWaalsContact O-CB 3.3Å; L324-F328 WeakPolarHBondContact O-CB 3.48Å; L324-F328 PolarHBondContact O-N 3.25Å; L324-L372 HydrophobicContact CD2-CD1 3.99Å; L324-V376 HydrophobicContact CD2-CG2 4.05Å; L324-L379 HydrophobicContact CB-CD1 4.4Å; L324-L379 HydrophobicContact CD1-CD1 3.68Å; L324-L379 HydrophobicContact CD1-CD2 4.04Å; L324-L379 HydrophobicContact CD1-CG 4.43Å; L324-L379 HydrophobicContact CD2-CD1 3.46Å; L324-L379 VanDerWaalsContact CD2-CD1 3.46Å; L324-L379 HydrophobicContact CD2-CG 4.48Å; L324-L379 HydrophobicContact CG-CD1 4Å; L324-L387 HydrophobicContact CD1-CB 3.3Å; L324-L387 HydrophobicContact CG-CB 3.92Å; L324-L387 HydrophobicContact CG-CD2 4.46Å
325	E	76.4	Confident	72	Confident	41 Å²	41	67 Å²	67	19%	0.192	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-42.8	-178.6	176.8	164.1	-160.4	0	0	110.9	F310 L316 L321 F328 W329 L372	F310-E325 HydrophobicContact CZ-CG 4.36Å; L316-E325 HydrophobicContact CD1-CB 4.36Å; L316-E325 WeakPolarHBondContact CD1-OE2 3.24Å; L321-E325 WeakPolarHBondContact O-CB 3.27Å; L321-E325 PolarHBondContact O-N 2.8Å; E325-F328 PolarHBondContact O-N 3.08Å; E325-W329 VanDerWaalsContact CG-CD1 3.42Å; E325-W329 VanDerWaalsContact O-CD1 3.27Å; E325-W329 PolarHBondContact O-N 3.09Å; E325-W329 PolarHBondContact OE1-NE1 3.01Å; E325-L372 HydrophobicContact CG-CD2 3.98Å
326	R	78.1	Confident	73.5	Confident	136 Å²	136	62.5 Å²	62.5	51%	0.513	31%	0.307	S	S	.	.	H	α-helix	trans	-60.5	-48	175.8	-175.8	-176.7	-59.8	-171.9	3.6	111.6	F310 E322 L324 F328 T330	F310-R326 HydrophobicContact CD1-CG 4.46Å; F310-R326 HydrophobicContact CE1-CB 4.24Å; F310-R326 HydrophobicContact CE1-CG 4.27Å; E322-R326 WeakPolarHBondContact O-CB 3.45Å; E322-R326 PolarHBondContact O-N 3.22Å; L324-R326 VanDerWaalsContact C-N 3.32Å; L324-R326 PolarHBondContact O-N 2.95Å; R326-F328 VanDerWaalsContact C-N 3.34Å; R326-T330 WeakPolarHBondContact O-CB 3.37Å; R326-T330 PolarHBondContact O-N 2.97Å; R326-T330 PolarHBondContact O-OG1 3.33Å
327	N	76.1	Confident	74.9	Confident	40 Å²	40	60.8 Å²	60.8	21%	0.214	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-40.3	179.6	-72.9	-16.8	0	0	0	111.3	E323 L324 S331 L387	E323-N327 VanDerWaalsContact O-CB 3.28Å; E323-N327 WeakPolarHBondContact O-CB 3.25Å; E323-N327 PolarHBondContact O-N 3.46Å; E323-N327 PolarHBondContact O-ND2 2.81Å; L324-N327 PolarHBondContact O-N 2.83Å; N327-S331 VanDerWaalsContact O-CB 3.24Å; N327-S331 WeakPolarHBondContact O-CB 3.43Å; N327-S331 PolarHBondContact O-N 3.1Å; N327-L387 VanDerWaalsContact CB-O 3.3Å; N327-L387 WeakPolarHBondContact CB-O 3.46Å; N327-L387 PolarHBondContact ND2-O 3.48Å; N327-L387 VanDerWaalsContact ND2-O 3.1Å
328	F	79.4	Confident	76.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.5	-56.9	176.6	-175.1	-96.8	0	0	0	111.4	L324 E325 R326 T330 S331 F332 V368 L372 F375 L387 I408	L324-F328 VanDerWaalsContact O-CB 3.3Å; L324-F328 WeakPolarHBondContact O-CB 3.48Å; L324-F328 PolarHBondContact O-N 3.25Å; E325-F328 PolarHBondContact O-N 3.08Å; R326-F328 VanDerWaalsContact C-N 3.34Å; F328-T330 PolarHBondContact O-N 3.12Å; F328-S331 PolarHBondContact O-N 3.05Å; F328-F332 PolarHBondContact O-N 3.13Å; F328-V368 HydrophobicContact CD1-CG1 4.34Å; F328-V368 HydrophobicContact CE1-CG1 3.26Å; F328-V368 HydrophobicContact CZ-CG1 3.6Å; F328-V368 VanDerWaalsContact CZ-O 3.3Å; F328-V368 WeakPolarHBondContact CZ-O 3.47Å; F328-L372 HydrophobicContact CB-CD1 4.07Å; F328-L372 HydrophobicContact CD1-CB 4.08Å; F328-L372 HydrophobicContact CD1-CD1 3.92Å; F328-L372 HydrophobicContact CD1-CD2 4.05Å; F328-L372 HydrophobicContact CD1-CG 4.23Å; F328-L372 HydrophobicContact CD2-CD1 4.24Å; F328-L372 HydrophobicContact CE1-CB 3.64Å; F328-L372 HydrophobicContact CE1-CD1 4.32Å; F328-L372 HydrophobicContact CE1-CD2 4.3Å; F328-L372 HydrophobicContact CE1-CG 4.3Å; F328-L372 HydrophobicContact CG-CD1 3.84Å; F328-L372 HydrophobicContact CZ-CB 3.87Å; F328-F375 HydrophobicContact CD2-CD2 4.45Å; F328-F375 AromaticContact CE2-CD2 3.99Å; F328-F375 HydrophobicContact CE2-CD2 3.99Å; F328-F375 AromaticContact CE2-CE2 3.95Å; F328-F375 HydrophobicContact CE2-CE2 3.95Å; F328-L387 HydrophobicContact CB-CD2 3.42Å; F328-L387 VanDerWaalsContact CB-CD2 3.42Å; F328-L387 HydrophobicContact CD2-CD2 3.42Å; F328-L387 VanDerWaalsContact CD2-CD2 3.42Å; F328-L387 HydrophobicContact CG-CD2 3.88Å; F328-I408 HydrophobicContact CD2-CD1 3.78Å; F328-I408 HydrophobicContact CE1-CG2 4.27Å; F328-I408 HydrophobicContact CE2-CB 4.48Å; F328-I408 HydrophobicContact CE2-CD1 3.54Å; F328-I408 HydrophobicContact CE2-CG1 3.9Å; F328-I408 HydrophobicContact CE2-CG2 3.66Å; F328-I408 HydrophobicContact CG-CD1 4.46Å; F328-I408 HydrophobicContact CZ-CD1 4.07Å; F328-I408 HydrophobicContact CZ-CG1 4.39Å; F328-I408 HydrophobicContact CZ-CG2 3.34Å
329	W	83.5	Confident	77.8	Confident	6 Å²	6	49.1 Å²	49.1	2%	0.023	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-36.2	-178.8	-73.3	120.8	0	0	0	112.7	I289 F310 E325 S331 F332 C333 I365 V368 L372	I289-W329 HydrophobicContact CD1-CD2 4.4Å; I289-W329 HydrophobicContact CD1-CE3 3.49Å; I289-W329 VanDerWaalsContact CD1-CE3 3.49Å; I289-W329 HydrophobicContact CD1-CH2 4.18Å; I289-W329 HydrophobicContact CD1-CZ3 3.37Å; I289-W329 HydrophobicContact CG1-CE3 4.09Å; I289-W329 HydrophobicContact CG1-CZ3 4.3Å; F310-W329 HydrophobicContact CB-CB 4.2Å; F310-W329 HydrophobicContact CD1-CB 4.2Å; F310-W329 HydrophobicContact CD2-CB 3.37Å; F310-W329 AromaticContact CD2-CD1 3.91Å; F310-W329 AromaticContact CD2-CG 3.69Å; F310-W329 HydrophobicContact CD2-CG 3.69Å; F310-W329 HydrophobicContact CE1-CB 4.44Å; F310-W329 HydrophobicContact CE2-CB 3.65Å; F310-W329 AromaticContact CE2-CD1 3.28Å; F310-W329 AromaticContact CE2-CG 3.57Å; F310-W329 HydrophobicContact CE2-CG 3.57Å; F310-W329 HydrophobicContact CG-CB 3.66Å; F310-W329 HydrophobicContact CG-CG 4.45Å; F310-W329 HydrophobicContact CZ-CB 4.19Å; F310-W329 AromaticContact CZ-CD1 3.72Å; F310-W329 HydrophobicContact CZ-CG 4.25Å; E325-W329 VanDerWaalsContact CG-CD1 3.42Å; E325-W329 VanDerWaalsContact O-CD1 3.27Å; E325-W329 PolarHBondContact O-N 3.09Å; E325-W329 PolarHBondContact OE1-NE1 3.01Å; W329-S331 VanDerWaalsContact C-N 3.3Å; W329-S331 PolarHBondContact O-N 3.27Å; W329-F332 HydrophobicContact CE3-CB 4.27Å; W329-F332 AromaticContact CE3-CD1 3.87Å; W329-F332 HydrophobicContact CE3-CD1 3.87Å; W329-F332 HydrophobicContact CE3-CG 4.22Å; W329-F332 AromaticContact CZ3-CD1 3.97Å; W329-F332 HydrophobicContact CZ3-CD1 3.97Å; W329-F332 HydrophobicContact CZ3-CE1 4.28Å; W329-F332 HydrophobicContact CZ3-CG 4.33Å; W329-F332 PolarHBondContact O-N 2.92Å; W329-C333 WeakPolarHBondContact O-CB 3.33Å; W329-C333 PolarHBondContact O-N 3.15Å; W329-C333 PolarHBondContact O-SG 3.24Å; W329-I365 HydrophobicContact CH2-CG2 3.89Å; W329-I365 HydrophobicContact CZ3-CG2 4.09Å; W329-V368 HydrophobicContact CE3-CG1 4.21Å; W329-V368 HydrophobicContact CH2-CG1 3.77Å; W329-V368 HydrophobicContact CZ3-CB 4.4Å; W329-V368 HydrophobicContact CZ3-CG1 3.45Å; W329-V368 VanDerWaalsContact CZ3-CG1 3.45Å; W329-L372 HydrophobicContact CZ2-CD2 4.25Å
330	T	82.4	Confident	79.1	Confident	40 Å²	40	44.3 Å²	44.3	25%	0.245	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-41.4	173.6	-59.6	0	0	0	0	110.9	R326 F328 C333 R334	R326-T330 WeakPolarHBondContact O-CB 3.37Å; R326-T330 PolarHBondContact O-N 2.97Å; R326-T330 PolarHBondContact O-OG1 3.33Å; F328-T330 PolarHBondContact O-N 3.12Å; T330-C333 PolarHBondContact O-N 2.84Å; T330-R334 VanDerWaalsContact O-CG 3.3Å; T330-R334 WeakPolarHBondContact O-CG 3.49Å; T330-R334 PolarHBondContact O-N 3.31Å; T330-R334 VanDerWaalsContact O-N 3.11Å
331	S	77.6	Confident	80.3	Confident	16 Å²	16	41.5 Å²	41.5	11%	0.112	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-41	176.4	-168.6	0	0	0	0	111.7	N327 F328 W329 R334 D335 S390	N327-S331 VanDerWaalsContact O-CB 3.24Å; N327-S331 WeakPolarHBondContact O-CB 3.43Å; N327-S331 PolarHBondContact O-N 3.1Å; F328-S331 PolarHBondContact O-N 3.05Å; W329-S331 VanDerWaalsContact C-N 3.3Å; W329-S331 PolarHBondContact O-N 3.27Å; S331-R334 PolarHBondContact O-N 3.24Å; S331-D335 PolarHBondContact O-N 3.03Å; S331-S390 PolarHBondContact OG-N 2.97Å; S331-S390 PolarHBondContact OG-OG 3.03Å
332	F	84.4	Confident	81.3	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-47.6	174.6	174.6	-100	0	0	0	111.7	I289 F328 W329 R334 D335 V338 L364 I365 V368 I409	I289-F332 HydrophobicContact CD1-CD1 3.97Å; I289-F332 HydrophobicContact CD1-CE1 3.77Å; F328-F332 PolarHBondContact O-N 3.13Å; W329-F332 HydrophobicContact CE3-CB 4.27Å; W329-F332 AromaticContact CE3-CD1 3.87Å; W329-F332 HydrophobicContact CE3-CD1 3.87Å; W329-F332 HydrophobicContact CE3-CG 4.22Å; W329-F332 AromaticContact CZ3-CD1 3.97Å; W329-F332 HydrophobicContact CZ3-CD1 3.97Å; W329-F332 HydrophobicContact CZ3-CE1 4.28Å; W329-F332 HydrophobicContact CZ3-CG 4.33Å; W329-F332 PolarHBondContact O-N 2.92Å; F332-R334 PolarHBondContact O-N 3.38Å; F332-D335 WeakPolarHBondContact O-CB 3.23Å; F332-D335 PolarHBondContact O-N 3.25Å; F332-D335 VanDerWaalsContact O-N 3.08Å; F332-V338 HydrophobicContact CD1-CG1 4.34Å; F332-V338 HydrophobicContact CD2-CG2 4.2Å; F332-V338 HydrophobicContact CE1-CG1 3.83Å; F332-V338 HydrophobicContact CE1-CG2 4.13Å; F332-V338 HydrophobicContact CE2-CG2 3.67Å; F332-V338 HydrophobicContact CZ-CG1 4.1Å; F332-V338 HydrophobicContact CZ-CG2 3.65Å; F332-L364 HydrophobicContact CE2-CB 4.5Å; F332-L364 HydrophobicContact CZ-CB 4.32Å; F332-I365 HydrophobicContact CE1-CG1 3.87Å; F332-I365 HydrophobicContact CZ-CG1 3.86Å; F332-V368 HydrophobicContact CD2-CB 4.26Å; F332-V368 HydrophobicContact CD2-CG1 3.83Å; F332-V368 HydrophobicContact CD2-CG2 3.6Å; F332-V368 HydrophobicContact CE2-CB 4.17Å; F332-V368 HydrophobicContact CE2-CG1 4.18Å; F332-V368 HydrophobicContact CE2-CG2 3.38Å; F332-V368 HydrophobicContact CG-CG1 4.14Å; F332-V368 HydrophobicContact CZ-CG2 4.29Å; F332-I409 HydrophobicContact CD2-CD1 4.42Å; F332-I409 HydrophobicContact CD2-CG1 4.35Å; F332-I409 HydrophobicContact CE2-CD1 4.23Å; F332-I409 HydrophobicContact CE2-CG1 4.27Å
333	C	85.9	Confident	82.2	Confident	11 Å²	11	45.7 Å²	45.7	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-29.8	177.2	-70.6	0	0	0	0	112.5	V308 W329 T330 S339	V308-C333 HydrophobicContact CG1-CB 4.02Å; V308-C333 VanDerWaalsContact CG1-O 3.23Å; V308-C333 WeakPolarHBondContact CG1-O 3.34Å; V308-C333 HydrophobicContact CG2-CB 4.42Å; W329-C333 WeakPolarHBondContact O-CB 3.33Å; W329-C333 PolarHBondContact O-N 3.15Å; W329-C333 PolarHBondContact O-SG 3.24Å; T330-C333 PolarHBondContact O-N 2.84Å; C333-S339 WeakPolarHBondContact O-CB 3.07Å
334	R	83.6	Confident	83.1	Confident	172 Å²	172	39.8 Å²	39.8	65%	0.649	20%	0.204	S	C	*	.	H	α-helix	trans	-83.1	-10	177	-73.1	174.2	-179.1	172.7	1.7	114	T330 S331 F332 G336 D389	T330-R334 VanDerWaalsContact O-CG 3.3Å; T330-R334 WeakPolarHBondContact O-CG 3.49Å; T330-R334 PolarHBondContact O-N 3.31Å; T330-R334 VanDerWaalsContact O-N 3.11Å; S331-R334 PolarHBondContact O-N 3.24Å; F332-R334 PolarHBondContact O-N 3.38Å; R334-G336 PolarHBondContact O-N 3.27Å; R334-D389 IonicContact NH1-OD1 3.16Å
335	D	84.1	Confident	83.8	Confident	53 Å²	53	44.5 Å²	44.5	28%	0.283	22%	0.224	S	C	.	.	S	Bend	trans	-60.3	139.1	179.4	-173.9	-92.2	0	0	0	110.5	S331 F332 T337 V338 S339 I409	S331-D335 PolarHBondContact O-N 3.03Å; F332-D335 WeakPolarHBondContact O-CB 3.23Å; F332-D335 PolarHBondContact O-N 3.25Å; F332-D335 VanDerWaalsContact O-N 3.08Å; D335-T337 PolarHBondContact O-N 3.46Å; D335-T337 WeakPolarHBondContact OD1-CA 2.87Å; D335-T337 WeakPolarHBondContact OD1-CB 3.21Å; D335-T337 PolarHBondContact OD1-N 3.1Å; D335-T337 PolarHBondContact OD1-OG1 3.2Å; D335-V338 HydrophobicContact CB-CB 4.43Å; D335-V338 HydrophobicContact CB-CG2 4.21Å; D335-V338 PolarHBondContact O-N 3.45Å; D335-S339 WeakPolarHBondContact O-CB 3.28Å; D335-S339 PolarHBondContact O-N 3.43Å; D335-S339 PolarHBondContact O-OG 2.71Å; D335-I409 HydrophobicContact CB-CD1 3.61Å; D335-I409 WeakPolarHBondContact OD1-CD1 3.43Å
336	G	82.8	Confident	84.4	Confident	19 Å²	19	50 Å²	50	20%	0.196	25%	0.25	C	S	.	.	H	α-helix	trans	-61.3	-32.8	-178.7	0	0	0	0	0	112.9	R334 V338 D340 K343	R334-G336 PolarHBondContact O-N 3.27Å; G336-V338 VanDerWaalsContact C-N 3.28Å; G336-V338 PolarHBondContact O-N 2.73Å; G336-D340 VanDerWaalsContact O-CB 3.25Å; G336-D340 WeakPolarHBondContact O-CB 3.37Å; G336-D340 PolarHBondContact O-N 2.82Å; G336-D340 VanDerWaalsContact O-N 3.13Å; G336-K343 WeakPolarHBondContact O-CB 3.47Å
337	T	84.7	Confident	84.6	Confident	18 Å²	18	47.2 Å²	47.2	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-63.5	-36.4	173.8	-45.4	0	0	0	0	111.4	D335 F344 R347 F348 L364	D335-T337 PolarHBondContact O-N 3.46Å; D335-T337 WeakPolarHBondContact OD1-CA 2.87Å; D335-T337 WeakPolarHBondContact OD1-CB 3.21Å; D335-T337 PolarHBondContact OD1-N 3.1Å; D335-T337 PolarHBondContact OD1-OG1 3.2Å; T337-F344 HydrophobicContact CG2-CD2 4.16Å; T337-F344 WeakPolarHBondContact O-CB 3.2Å; T337-F344 VanDerWaalsContact O-CD2 3.27Å; T337-F344 WeakPolarHBondContact O-CD2 3.11Å; T337-R347 HydrophobicContact CG2-CB 4.41Å; T337-R347 HydrophobicContact CG2-CG 4.48Å; T337-R347 PolarHBondContact OG1-NH1 2.8Å; T337-F348 HydrophobicContact CG2-CE2 4.12Å; T337-L364 HydrophobicContact CG2-CD1 4.28Å
338	V	87.6	Confident	84.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-92.4	-37	-171.8	-175.9	0	0	0	0	111.6	F291 W306 V308 F332 D335 G336 I409	F291-V338 HydrophobicContact CE1-CG1 4.05Å; F291-V338 HydrophobicContact CZ-CG1 3.96Å; W306-V338 PolarHBondContact NE1-O 2.86Å; V308-V338 HydrophobicContact CG1-CG1 4.12Å; V308-V338 HydrophobicContact CG2-CG1 4.37Å; F332-V338 HydrophobicContact CD1-CG1 4.34Å; F332-V338 HydrophobicContact CD2-CG2 4.2Å; F332-V338 HydrophobicContact CE1-CG1 3.83Å; F332-V338 HydrophobicContact CE1-CG2 4.13Å; F332-V338 HydrophobicContact CE2-CG2 3.67Å; F332-V338 HydrophobicContact CZ-CG1 4.1Å; F332-V338 HydrophobicContact CZ-CG2 3.65Å; D335-V338 HydrophobicContact CB-CB 4.43Å; D335-V338 HydrophobicContact CB-CG2 4.21Å; D335-V338 PolarHBondContact O-N 3.45Å; G336-V338 VanDerWaalsContact C-N 3.28Å; G336-V338 PolarHBondContact O-N 2.73Å; V338-I409 HydrophobicContact CG2-CD1 3.55Å
339	S	87.5	Confident	84.8	Confident	48 Å²	48	52 Å²	52	34%	0.336	27%	0.268	S	S	.	.	H	α-helix	trans	-90.6	-19.3	-177.3	56.1	0	0	0	0	114.7	C333 D335	C333-S339 WeakPolarHBondContact O-CB 3.07Å; D335-S339 WeakPolarHBondContact O-CB 3.28Å; D335-S339 PolarHBondContact O-N 3.43Å; D335-S339 PolarHBondContact O-OG 2.71Å
340	D	87.2	Confident	84.5	Confident	58 Å²	58	59.3 Å²	59.3	31%	0.31	30%	0.302	S	S	.	.			trans	-120.8	113	-175.3	178	-13	0	0	0	110.9	G336 A342 K343 F344	G336-D340 VanDerWaalsContact O-CB 3.25Å; G336-D340 WeakPolarHBondContact O-CB 3.37Å; G336-D340 PolarHBondContact O-N 2.82Å; G336-D340 VanDerWaalsContact O-N 3.13Å; D340-A342 VanDerWaalsContact C-N 3.25Å; D340-A342 PolarHBondContact O-N 3.12Å; D340-A342 WeakPolarHBondContact OD1-CB 3.4Å; D340-A342 PolarHBondContact OD1-N 3.05Å; D340-K343 HydrophobicContact CB-CB 4.3Å; D340-K343 HydrophobicContact CB-CD 4.14Å; D340-K343 HydrophobicContact CB-CG 4.28Å; D340-K343 PolarHBondContact O-N 3.4Å; D340-K343 WeakPolarHBondContact OD2-CE 3.24Å; D340-F344 PolarHBondContact O-N 3.11Å
341	C	87.1	Confident	84.1	Confident	12 Å²	12	57.6 Å²	57.6	8%	0.081	29%	0.292	C	S	.	.	H	α-helix	trans	-55.7	-37.1	179.8	-66.8	0	0	0	0	113.6	F302 E305 W306 F344 K345	F302-C341 HydrophobicContact CE1-CB 4.09Å; E305-C341 WeakPolarHBondContact CA-SG 3.49Å; W306-C341 VanDerWaalsContact CE2-SG 3.58Å; W306-C341 HydrophobicContact CE3-CB 4.43Å; W306-C341 HydrophobicContact CH2-CB 4.34Å; W306-C341 HydrophobicContact CZ3-CB 4.26Å; W306-C341 VanDerWaalsContact CZ3-SG 3.56Å; W306-C341 PolarHBondContact N-SG 2.97Å; C341-F344 PolarHBondContact O-N 3.37Å; C341-K345 WeakPolarHBondContact O-CB 3.49Å; C341-K345 PolarHBondContact O-N 3.21Å
342	A	88.1	Confident	83.9	Confident	58 Å²	58	61 Å²	61	48%	0.479	31%	0.309	S	S	.	.	H	α-helix	trans	-67.7	-47	-177.9	0	0	0	0	0	110.1	D340 F344 K345 E346	D340-A342 VanDerWaalsContact C-N 3.25Å; D340-A342 PolarHBondContact O-N 3.12Å; D340-A342 WeakPolarHBondContact OD1-CB 3.4Å; D340-A342 PolarHBondContact OD1-N 3.05Å; A342-F344 VanDerWaalsContact C-N 3.35Å; A342-F344 PolarHBondContact O-N 3.27Å; A342-K345 WeakPolarHBondContact O-CB 3.21Å; A342-K345 PolarHBondContact O-N 3.1Å; A342-K345 VanDerWaalsContact O-N 3.15Å; A342-E346 WeakPolarHBondContact O-CG 3.29Å; A342-E346 PolarHBondContact O-N 2.62Å
343	K	88.9	Confident	83.2	Confident	102 Å²	102	66 Å²	66	44%	0.443	33%	0.328	S	S	.	.	H	α-helix	trans	-64.4	-38.5	175.9	-67.9	-179.5	-174	172	0	112.3	G336 D340 K345 E346 R347	G336-K343 WeakPolarHBondContact O-CB 3.47Å; D340-K343 HydrophobicContact CB-CB 4.3Å; D340-K343 HydrophobicContact CB-CD 4.14Å; D340-K343 HydrophobicContact CB-CG 4.28Å; D340-K343 PolarHBondContact O-N 3.4Å; D340-K343 WeakPolarHBondContact OD2-CE 3.24Å; K343-K345 VanDerWaalsContact C-N 3.3Å; K343-K345 PolarHBondContact O-N 3.42Å; K343-E346 PolarHBondContact O-N 2.97Å; K343-R347 PolarHBondContact O-N 3.42Å
344	F	88.6	Confident	82.3	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-58.6	-45.2	172.5	-172.3	-90.3	0	0	0	111.4	F302 W306 T337 D340 C341 A342 R347 F348 A351 V357 L361 L364	F302-F344 HydrophobicContact CE2-CD1 4.18Å; F302-F344 HydrophobicContact CZ-CD1 4.21Å; W306-F344 HydrophobicContact CH2-CB 3.74Å; W306-F344 AromaticContact CH2-CD1 3.63Å; W306-F344 HydrophobicContact CH2-CD1 3.63Å; W306-F344 HydrophobicContact CH2-CD2 4.27Å; W306-F344 HydrophobicContact CH2-CE1 4.24Å; W306-F344 AromaticContact CH2-CG 3.61Å; W306-F344 HydrophobicContact CH2-CG 3.61Å; W306-F344 HydrophobicContact CZ2-CB 3.67Å; W306-F344 HydrophobicContact CZ2-CD1 4.22Å; W306-F344 HydrophobicContact CZ2-CD2 4.06Å; W306-F344 AromaticContact CZ2-CG 3.72Å; W306-F344 HydrophobicContact CZ2-CG 3.72Å; T337-F344 HydrophobicContact CG2-CD2 4.16Å; T337-F344 WeakPolarHBondContact O-CB 3.2Å; T337-F344 VanDerWaalsContact O-CD2 3.27Å; T337-F344 WeakPolarHBondContact O-CD2 3.11Å; D340-F344 PolarHBondContact O-N 3.11Å; C341-F344 PolarHBondContact O-N 3.37Å; A342-F344 VanDerWaalsContact C-N 3.35Å; A342-F344 PolarHBondContact O-N 3.27Å; F344-R347 PolarHBondContact O-N 3.11Å; F344-F348 HydrophobicContact CD1-CB 4.49Å; F344-F348 HydrophobicContact CD1-CD2 4.21Å; F344-F348 AromaticContact CD2-CD2 3.89Å; F344-F348 HydrophobicContact CD2-CD2 3.89Å; F344-F348 HydrophobicContact CD2-CE2 4.16Å; F344-F348 HydrophobicContact CE1-CB 4.17Å; F344-F348 HydrophobicContact CE1-CD2 4Å; F344-F348 HydrophobicContact CE1-CG 4.42Å; F344-F348 AromaticContact CE2-CD2 3.66Å; F344-F348 HydrophobicContact CE2-CD2 3.66Å; F344-F348 AromaticContact CE2-CE2 3.84Å; F344-F348 HydrophobicContact CE2-CE2 3.84Å; F344-F348 HydrophobicContact CG-CD2 4.19Å; F344-F348 AromaticContact CZ-CD2 3.76Å; F344-F348 HydrophobicContact CZ-CD2 3.76Å; F344-F348 HydrophobicContact CZ-CE2 4.29Å; F344-F348 HydrophobicContact CZ-CG 4.37Å; F344-F348 PolarHBondContact O-N 3.34Å; F344-A351 HydrophobicContact CE1-CB 4.14Å; F344-V357 HydrophobicContact CE1-CB 4.32Å; F344-V357 HydrophobicContact CE1-CG1 3.95Å; F344-V357 HydrophobicContact CE1-CG2 4.2Å; F344-V357 HydrophobicContact CZ-CG1 4.27Å; F344-L361 HydrophobicContact CD2-CD2 4.08Å; F344-L361 HydrophobicContact CE2-CD2 3.55Å; F344-L361 HydrophobicContact CE2-CG 3.83Å; F344-L361 HydrophobicContact CZ-CD2 4.23Å; F344-L361 HydrophobicContact CZ-CG 3.99Å; F344-L364 HydrophobicContact CE2-CD1 4.1Å
345	K	86.4	Confident	81.4	Confident	102 Å²	102	58.1 Å²	58.1	44%	0.443	30%	0.297	S	S	.	.	H	α-helix	trans	-66	-37.6	179.5	-167.8	175.5	-178.4	177.5	0	112.5	F302 C341 A342 K343 R347 F348 P349	F302-K345 HydrophobicContact CD1-CD 4.29Å; F302-K345 HydrophobicContact CE1-CB 4.16Å; F302-K345 HydrophobicContact CE1-CD 4.12Å; F302-K345 HydrophobicContact CE1-CG 4.5Å; F302-K345 HydrophobicContact CE2-CB 4.25Å; F302-K345 HydrophobicContact CE2-CG 4.35Å; F302-K345 HydrophobicContact CZ-CB 3.71Å; F302-K345 HydrophobicContact CZ-CD 4.3Å; F302-K345 HydrophobicContact CZ-CG 4.18Å; C341-K345 WeakPolarHBondContact O-CB 3.49Å; C341-K345 PolarHBondContact O-N 3.21Å; A342-K345 WeakPolarHBondContact O-CB 3.21Å; A342-K345 PolarHBondContact O-N 3.1Å; A342-K345 VanDerWaalsContact O-N 3.15Å; K343-K345 VanDerWaalsContact C-N 3.3Å; K343-K345 PolarHBondContact O-N 3.42Å; K345-R347 VanDerWaalsContact C-N 3.3Å; K345-R347 PolarHBondContact O-N 3.37Å; K345-F348 CarbonylContact O-C 3.58Å; K345-F348 VanDerWaalsContact O-C 3.3Å; K345-P349 WeakPolarHBondContact O-CA 3.18Å; K345-P349 VanDerWaalsContact O-N 3.13Å
346	E	88.1	Confident	80.5	Confident	157 Å²	157	58.8 Å²	58.8	73%	0.734	30%	0.301	S	S	*	.	H	α-helix	trans	-60.7	-41.2	173	-73	174.1	-178.7	0	0	111.5	A342 K343	A342-E346 WeakPolarHBondContact O-CG 3.29Å; A342-E346 PolarHBondContact O-N 2.62Å; K343-E346 PolarHBondContact O-N 2.97Å
347	R	82.7	Confident	80.1	Confident	78 Å²	78	57.9 Å²	57.9	29%	0.294	29%	0.291	S	S	.	.	H	α-helix	trans	-75.9	-36.7	179.5	-170.1	179.3	177.3	146.8	0.2	113.5	T337 K343 F344 K345 P349 I409 N410	T337-R347 HydrophobicContact CG2-CB 4.41Å; T337-R347 HydrophobicContact CG2-CG 4.48Å; T337-R347 PolarHBondContact OG1-NH1 2.8Å; K343-R347 PolarHBondContact O-N 3.42Å; F344-R347 PolarHBondContact O-N 3.11Å; K345-R347 VanDerWaalsContact C-N 3.3Å; K345-R347 PolarHBondContact O-N 3.37Å; R347-P349 VanDerWaalsContact C-CD 3.41Å; R347-P349 WeakPolarHBondContact O-CD 2.97Å; R347-I409 VanDerWaalsContact NH2-CG2 3.29Å; R347-I409 PolarHBondContact NH2-O 2.98Å; R347-I409 VanDerWaalsContact NH2-O 3.11Å; R347-N410 VanDerWaalsContact CZ-OD1 3.26Å; R347-N410 PolarHBondContact NH2-OD1 3.34Å
348	F	81.8	Confident	79.7	Confident	54 Å²	54	57.4 Å²	57.4	24%	0.237	29%	0.288	C	S	.	.			trans	-122.4	67.8	-179.1	-57.8	-77.6	0	0	0	110.8	T337 F344 K345 Q350 A351 L364	T337-F348 HydrophobicContact CG2-CE2 4.12Å; F344-F348 HydrophobicContact CD1-CB 4.49Å; F344-F348 HydrophobicContact CD1-CD2 4.21Å; F344-F348 AromaticContact CD2-CD2 3.89Å; F344-F348 HydrophobicContact CD2-CD2 3.89Å; F344-F348 HydrophobicContact CD2-CE2 4.16Å; F344-F348 HydrophobicContact CE1-CB 4.17Å; F344-F348 HydrophobicContact CE1-CD2 4Å; F344-F348 HydrophobicContact CE1-CG 4.42Å; F344-F348 AromaticContact CE2-CD2 3.66Å; F344-F348 HydrophobicContact CE2-CD2 3.66Å; F344-F348 AromaticContact CE2-CE2 3.84Å; F344-F348 HydrophobicContact CE2-CE2 3.84Å; F344-F348 HydrophobicContact CG-CD2 4.19Å; F344-F348 AromaticContact CZ-CD2 3.76Å; F344-F348 HydrophobicContact CZ-CD2 3.76Å; F344-F348 HydrophobicContact CZ-CE2 4.29Å; F344-F348 HydrophobicContact CZ-CG 4.37Å; F344-F348 PolarHBondContact O-N 3.34Å; K345-F348 CarbonylContact O-C 3.58Å; K345-F348 VanDerWaalsContact O-C 3.3Å; F348-Q350 PolarHBondContact O-N 2.8Å; F348-A351 HydrophobicContact CB-CB 3.92Å; F348-A351 WeakPolarHBondContact O-CB 3.36Å; F348-A351 PolarHBondContact O-N 3.03Å; F348-L364 HydrophobicContact CE2-CD1 3.99Å; F348-L364 HydrophobicContact CZ-CD1 4.27Å; F348-L364 HydrophobicContact CZ-CD2 4.01Å; F348-L364 HydrophobicContact CZ-CG 4.31Å
349	P	78.6	Confident	78.8	Confident	87 Å²	87	59.5 Å²	59.5	57%	0.565	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.7	-173.7	24	-34.2	0	0	0	113.5	K345 R347	K345-P349 WeakPolarHBondContact O-CA 3.18Å; K345-P349 VanDerWaalsContact O-N 3.13Å; R347-P349 VanDerWaalsContact C-CD 3.41Å; R347-P349 WeakPolarHBondContact O-CD 2.97Å
350	Q	76.2	Confident	78.4	Confident	158 Å²	158	58.4 Å²	58.4	74%	0.738	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.8	176.1	-59	-59.8	-22.3	0	0	113.2	F348 N352	F348-Q350 PolarHBondContact O-N 2.8Å; Q350-N352 PolarHBondContact O-N 2.79Å; Q350-N352 PolarHBondContact O-OD1 3.17Å
351	A	74.3	Confident	78.2	Confident	4 Å²	4	55.7 Å²	55.7	3%	0.033	28%	0.28	C	S	.	.			trans	-81.6	65.2	177	0	0	0	0	0	109.8	F302 F344 F348 L356 V357	F302-A351 WeakPolarHBondContact CD2-O 3.31Å; F302-A351 WeakPolarHBondContact CE2-O 3.22Å; F344-A351 HydrophobicContact CE1-CB 4.14Å; F348-A351 HydrophobicContact CB-CB 3.92Å; F348-A351 WeakPolarHBondContact O-CB 3.36Å; F348-A351 PolarHBondContact O-N 3.03Å; A351-L356 HydrophobicContact CB-CB 4.09Å; A351-V357 HydrophobicContact CB-CG2 4.33Å
352	N	74.5	Confident	77.9	Confident	87 Å²	87	57.2 Å²	57.2	47%	0.465	29%	0.286	S	S	.	.			trans	-93.3	-1.3	-177.8	65.4	-7.4	0	0	0	114.1	F302 Q350	F302-N352 WeakPolarHBondContact CB-O 3.45Å; F302-N352 PolarHBondContact N-O 3.43Å; F302-N352 VanDerWaalsContact N-O 3.15Å; Q350-N352 PolarHBondContact O-N 2.79Å; Q350-N352 PolarHBondContact O-OD1 3.17Å
353	R	68.6	Low	77.3	Confident	109 Å²	109	61.9 Å²	61.9	41%	0.411	30%	0.295	S	S	.	.	S	Bend	trans	-118.5	145.2	176.5	-63.1	-173.7	178.9	-177.9	-2.1	110.2	N300 S355 L356 V357	N300-R353 WeakPolarHBondContact O-CA 3.29Å; N300-R353 WeakPolarHBondContact O-CB 3.2Å; N300-R353 VanDerWaalsContact O-CG 3.29Å; N300-R353 WeakPolarHBondContact O-CG 3.17Å; R353-S355 PolarHBondContact O-N 3.27Å; R353-S355 VanDerWaalsContact O-N 3.12Å; R353-L356 HydrophobicContact CB-CD1 4.47Å; R353-L356 HydrophobicContact CB-CG 4.49Å; R353-L356 PolarHBondContact O-N 2.91Å; R353-V357 PolarHBondContact O-N 3.07Å
354	F	68	Low	76.9	Confident	10 Å²	10	57.8 Å²	57.8	4%	0.044	28%	0.278	C	S	.	.	H	α-helix	trans	-47.5	-44.3	-179.6	-166.8	-95.8	0	0	0	113.5	V282 L284 F293 W299 D301 P303 L356 V357 L358	V282-F354 HydrophobicContact CG1-CZ 4.2Å; L284-F354 HydrophobicContact CD1-CE1 4.05Å; L284-F354 HydrophobicContact CD1-CZ 4.07Å; F293-F354 HydrophobicContact CB-CE2 3.81Å; F293-F354 HydrophobicContact CB-CZ 4.1Å; F293-F354 AromaticContact CD1-CE2 3.84Å; F293-F354 HydrophobicContact CD1-CE2 3.84Å; F293-F354 HydrophobicContact CD1-CZ 4.17Å; F293-F354 HydrophobicContact CD2-CE2 4.25Å; F293-F354 AromaticContact CD2-CZ 3.81Å; F293-F354 HydrophobicContact CD2-CZ 3.81Å; F293-F354 HydrophobicContact CE2-CZ 4.25Å; F293-F354 AromaticContact CG-CE2 3.71Å; F293-F354 HydrophobicContact CG-CE2 3.71Å; F293-F354 AromaticContact CG-CZ 3.76Å; F293-F354 HydrophobicContact CG-CZ 3.76Å; W299-F354 AromaticContact CE3-CD1 3.64Å; W299-F354 HydrophobicContact CE3-CD1 3.64Å; W299-F354 AromaticContact CE3-CE1 3.62Å; W299-F354 HydrophobicContact CE3-CE1 3.62Å; W299-F354 HydrophobicContact CE3-CG 4.19Å; W299-F354 HydrophobicContact CE3-CZ 4.16Å; W299-F354 AromaticContact CZ3-CD1 3.9Å; W299-F354 HydrophobicContact CZ3-CD1 3.9Å; W299-F354 AromaticContact CZ3-CE1 3.35Å; W299-F354 HydrophobicContact CZ3-CE1 3.35Å; W299-F354 AromaticContact CZ3-CZ 3.75Å; W299-F354 HydrophobicContact CZ3-CZ 3.75Å; W299-F354 WeakPolarHBondContact O-CB 3.47Å; D301-F354 WeakPolarHBondContact O-CB 3.34Å; D301-F354 PolarHBondContact O-N 3.39Å; P303-F354 HydrophobicContact CB-CD2 4.44Å; P303-F354 HydrophobicContact CB-CE2 4.45Å; P303-F354 HydrophobicContact CG-CD2 3.57Å; P303-F354 HydrophobicContact CG-CE2 3.76Å; F354-L356 PolarHBondContact O-N 2.73Å; F354-V357 WeakPolarHBondContact O-CB 2.88Å; F354-V357 PolarHBondContact O-N 2.82Å; F354-L358 HydrophobicContact CD1-CD1 3.98Å; F354-L358 HydrophobicContact CD1-CG 4.09Å; F354-L358 HydrophobicContact CE1-CD1 3.56Å; F354-L358 HydrophobicContact CE1-CD2 4.08Å; F354-L358 HydrophobicContact CE1-CG 3.76Å; F354-L358 HydrophobicContact CZ-CD1 4.49Å; F354-L358 HydrophobicContact CZ-CD2 4.25Å; F354-L358 HydrophobicContact CZ-CG 4.38Å; F354-L358 PolarHBondContact O-N 2.95Å
355	S	62.8	Low	76.6	Confident	6 Å²	6	57.8 Å²	57.8	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-43.9	176.7	38.9	0	0	0	0	114.2	R353 V357 L358 C359	R353-S355 PolarHBondContact O-N 3.27Å; R353-S355 VanDerWaalsContact O-N 3.12Å; S355-V357 VanDerWaalsContact C-N 3.26Å; S355-V357 PolarHBondContact O-N 3.2Å; S355-L358 PolarHBondContact O-N 3.26Å; S355-C359 PolarHBondContact O-N 3.34Å; S355-C359 PolarHBondContact O-SG 3.47Å
356	L	65.3	Low	76.3	Confident	67 Å²	67	55.7 Å²	55.7	35%	0.351	27%	0.272	S	S	.	.	H	α-helix	trans	-70	-30.2	179.6	-64.8	177.3	0	0	0	111.1	A351 R353 F354 S360	A351-L356 HydrophobicContact CB-CB 4.09Å; R353-L356 HydrophobicContact CB-CD1 4.47Å; R353-L356 HydrophobicContact CB-CG 4.49Å; R353-L356 PolarHBondContact O-N 2.91Å; F354-L356 PolarHBondContact O-N 2.73Å; L356-S360 VanDerWaalsContact O-CB 3.23Å; L356-S360 WeakPolarHBondContact O-CB 2.93Å; L356-S360 PolarHBondContact O-N 2.87Å; L356-S360 PolarHBondContact O-OG 2.91Å
357	V	76.1	Confident	75.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.1	-52.8	169.5	175.9	0	0	0	0	110.2	F302 P303 W306 F344 A351 R353 F354 S355 C359 S360 L361	F302-V357 HydrophobicContact CD2-CG2 3.42Å; F302-V357 VanDerWaalsContact CD2-CG2 3.42Å; F302-V357 HydrophobicContact CE2-CG2 3.37Å; F302-V357 HydrophobicContact CZ-CG2 4.4Å; P303-V357 HydrophobicContact CG-CG1 4.4Å; W306-V357 HydrophobicContact CE3-CG1 4.27Å; W306-V357 HydrophobicContact CH2-CG1 3.66Å; W306-V357 HydrophobicContact CZ3-CG1 3.46Å; W306-V357 VanDerWaalsContact CZ3-CG1 3.46Å; F344-V357 HydrophobicContact CE1-CB 4.32Å; F344-V357 HydrophobicContact CE1-CG1 3.95Å; F344-V357 HydrophobicContact CE1-CG2 4.2Å; F344-V357 HydrophobicContact CZ-CG1 4.27Å; A351-V357 HydrophobicContact CB-CG2 4.33Å; R353-V357 PolarHBondContact O-N 3.07Å; F354-V357 WeakPolarHBondContact O-CB 2.88Å; F354-V357 PolarHBondContact O-N 2.82Å; S355-V357 VanDerWaalsContact C-N 3.26Å; S355-V357 PolarHBondContact O-N 3.2Å; V357-C359 PolarHBondContact O-N 2.98Å; V357-S360 PolarHBondContact O-N 2.94Å; V357-S360 VanDerWaalsContact O-N 3.11Å; V357-L361 HydrophobicContact CG1-CD1 3.87Å; V357-L361 HydrophobicContact CG1-CG 4.33Å; V357-L361 WeakPolarHBondContact O-CB 3.19Å; V357-L361 WeakPolarHBondContact O-CG 3.46Å; V357-L361 PolarHBondContact O-N 3.43Å
358	L	76	Confident	75.3	Confident	9 Å²	9	46.1 Å²	46.1	5%	0.047	24%	0.237	C	C	.	.	H	α-helix	trans	-58.4	-45	178	-69.1	-173.5	0	0	0	112.6	F270 W272 L284 F293 F354 S355 S360 L361 Q362	F270-L358 HydrophobicContact CD1-CB 4.06Å; F270-L358 HydrophobicContact CD1-CD1 4Å; F270-L358 HydrophobicContact CE1-CB 3.9Å; F270-L358 HydrophobicContact CE1-CD1 4.16Å; W272-L358 HydrophobicContact CD2-CD2 4.29Å; W272-L358 HydrophobicContact CE3-CD2 4.39Å; W272-L358 HydrophobicContact CZ2-CD2 4.44Å; W272-L358 HydrophobicContact CZ3-CD2 4.48Å; L284-L358 HydrophobicContact CD1-CD1 3.92Å; L284-L358 HydrophobicContact CD1-CD2 3.86Å; F293-L358 HydrophobicContact CE1-CD2 4.49Å; F293-L358 HydrophobicContact CE2-CD2 3.81Å; F293-L358 HydrophobicContact CZ-CD2 3.65Å; F354-L358 HydrophobicContact CD1-CD1 3.98Å; F354-L358 HydrophobicContact CD1-CG 4.09Å; F354-L358 HydrophobicContact CE1-CD1 3.56Å; F354-L358 HydrophobicContact CE1-CD2 4.08Å; F354-L358 HydrophobicContact CE1-CG 3.76Å; F354-L358 HydrophobicContact CZ-CD1 4.49Å; F354-L358 HydrophobicContact CZ-CD2 4.25Å; F354-L358 HydrophobicContact CZ-CG 4.38Å; F354-L358 PolarHBondContact O-N 2.95Å; S355-L358 PolarHBondContact O-N 3.26Å; L358-S360 VanDerWaalsContact C-N 3.29Å; L358-S360 PolarHBondContact O-N 2.7Å; L358-L361 PolarHBondContact O-N 3.46Å; L358-Q362 VanDerWaalsContact O-CB 3.3Å; L358-Q362 WeakPolarHBondContact O-CB 3.38Å; L358-Q362 PolarHBondContact O-N 3.29Å
359	C	68.6	Low	75.1	Confident	44 Å²	44	44.3 Å²	44.3	30%	0.297	23%	0.23	S	C	.	.	H	α-helix	trans	-60.8	-39.7	176.6	-72	0	0	0	0	112	S355 V357 K363	S355-C359 PolarHBondContact O-N 3.34Å; S355-C359 PolarHBondContact O-SG 3.47Å; V357-C359 PolarHBondContact O-N 2.98Å; C359-K363 WeakPolarHBondContact O-CG 3.22Å; C359-K363 PolarHBondContact O-N 3.39Å; C359-K363 VanDerWaalsContact O-N 3.08Å
360	S	77.8	Confident	74.7	Confident	25 Å²	25	43 Å²	43	18%	0.175	22%	0.22	C	C	.	.	H	α-helix	trans	-74.1	-41	-178.7	-60.7	0	0	0	0	111.2	L356 V357 L358 K363 L364	L356-S360 VanDerWaalsContact O-CB 3.23Å; L356-S360 WeakPolarHBondContact O-CB 2.93Å; L356-S360 PolarHBondContact O-N 2.87Å; L356-S360 PolarHBondContact O-OG 2.91Å; V357-S360 PolarHBondContact O-N 2.94Å; V357-S360 VanDerWaalsContact O-N 3.11Å; L358-S360 VanDerWaalsContact C-N 3.29Å; L358-S360 PolarHBondContact O-N 2.7Å; S360-K363 PolarHBondContact O-N 3.1Å; S360-L364 WeakPolarHBondContact O-CG 3.43Å; S360-L364 PolarHBondContact O-N 3.31Å
361	L	84	Confident	74.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-44.1	170.9	-75.2	172	0	0	0	111.6	W272 F291 F293 F344 V357 L358 K363 L364 I365	W272-L361 HydrophobicContact CH2-CB 4.1Å; W272-L361 HydrophobicContact CH2-CD1 4.47Å; W272-L361 HydrophobicContact CZ2-CB 4.01Å; F291-L361 HydrophobicContact CD1-CD1 4.06Å; F291-L361 HydrophobicContact CE1-CD1 3.79Å; F291-L361 HydrophobicContact CE1-CD2 3.84Å; F291-L361 HydrophobicContact CE1-CG 4.41Å; F291-L361 HydrophobicContact CZ-CD1 4.26Å; F291-L361 HydrophobicContact CZ-CD2 4.02Å; F293-L361 HydrophobicContact CE1-CD1 4.02Å; F293-L361 HydrophobicContact CZ-CD1 3.85Å; F344-L361 HydrophobicContact CD2-CD2 4.08Å; F344-L361 HydrophobicContact CE2-CD2 3.55Å; F344-L361 HydrophobicContact CE2-CG 3.83Å; F344-L361 HydrophobicContact CZ-CD2 4.23Å; F344-L361 HydrophobicContact CZ-CG 3.99Å; V357-L361 HydrophobicContact CG1-CD1 3.87Å; V357-L361 HydrophobicContact CG1-CG 4.33Å; V357-L361 WeakPolarHBondContact O-CB 3.19Å; V357-L361 WeakPolarHBondContact O-CG 3.46Å; V357-L361 PolarHBondContact O-N 3.43Å; L358-L361 PolarHBondContact O-N 3.46Å; L361-K363 PolarHBondContact O-N 3.04Å; L361-L364 WeakPolarHBondContact O-CB 3.39Å; L361-L364 PolarHBondContact O-N 3.23Å; L361-L364 VanDerWaalsContact O-N 3.13Å; L361-I365 VanDerWaalsContact O-CG1 3.27Å; L361-I365 WeakPolarHBondContact O-CG1 3.46Å; L361-I365 PolarHBondContact O-N 3.36Å
362	Q	80.1	Confident	74.3	Confident	45 Å²	45	35.9 Å²	35.9	21%	0.21	19%	0.187	C	C	.	.	H	α-helix	trans	-59.4	-47	177	-178.1	-179.5	-24.6	0	0	111.2	W272 F286 L358 L364 I365 D366	W272-Q362 HydrophobicContact CZ2-CB 4.26Å; F286-Q362 HydrophobicContact CE1-CG 4.08Å; F286-Q362 HydrophobicContact CE2-CG 4.39Å; F286-Q362 HydrophobicContact CZ-CG 3.89Å; L358-Q362 VanDerWaalsContact O-CB 3.3Å; L358-Q362 WeakPolarHBondContact O-CB 3.38Å; L358-Q362 PolarHBondContact O-N 3.29Å; Q362-L364 VanDerWaalsContact C-N 3.25Å; Q362-L364 PolarHBondContact O-N 2.8Å; Q362-I365 PolarHBondContact O-N 3.13Å; Q362-I365 VanDerWaalsContact O-N 3.12Å; Q362-D366 WeakPolarHBondContact CG-OD2 3.22Å; Q362-D366 PolarHBondContact NE2-OD2 3.46Å; Q362-D366 WeakPolarHBondContact O-CB 3.45Å; Q362-D366 PolarHBondContact O-N 2.81Å
363	K	75.5	Confident	74.3	Confident	155 Å²	155	37.2 Å²	37.2	67%	0.674	19%	0.19	S	C	*	.	H	α-helix	trans	-58.3	-38.7	175.7	-74.8	-179.9	-175.5	-174.4	0	112.3	C359 S360 L361 A367	C359-K363 WeakPolarHBondContact O-CG 3.22Å; C359-K363 PolarHBondContact O-N 3.39Å; C359-K363 VanDerWaalsContact O-N 3.08Å; S360-K363 PolarHBondContact O-N 3.1Å; L361-K363 PolarHBondContact O-N 3.04Å; K363-A367 VanDerWaalsContact O-CB 3.22Å; K363-A367 WeakPolarHBondContact O-CB 3.27Å; K363-A367 PolarHBondContact O-N 3.02Å; K363-A367 VanDerWaalsContact O-N 3.09Å
364	L	81	Confident	74.3	Confident	16 Å²	16	34.2 Å²	34.2	8%	0.084	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-50.4	173.9	-69.3	-177.4	0	0	0	110.9	F332 T337 F344 F348 S360 L361 Q362 D366 A367 V368 I409	F332-L364 HydrophobicContact CE2-CB 4.5Å; F332-L364 HydrophobicContact CZ-CB 4.32Å; T337-L364 HydrophobicContact CG2-CD1 4.28Å; F344-L364 HydrophobicContact CE2-CD1 4.1Å; F348-L364 HydrophobicContact CE2-CD1 3.99Å; F348-L364 HydrophobicContact CZ-CD1 4.27Å; F348-L364 HydrophobicContact CZ-CD2 4.01Å; F348-L364 HydrophobicContact CZ-CG 4.31Å; S360-L364 WeakPolarHBondContact O-CG 3.43Å; S360-L364 PolarHBondContact O-N 3.31Å; L361-L364 WeakPolarHBondContact O-CB 3.39Å; L361-L364 PolarHBondContact O-N 3.23Å; L361-L364 VanDerWaalsContact O-N 3.13Å; Q362-L364 VanDerWaalsContact C-N 3.25Å; Q362-L364 PolarHBondContact O-N 2.8Å; L364-D366 PolarHBondContact O-N 3.31Å; L364-A367 PolarHBondContact O-N 2.9Å; L364-V368 VanDerWaalsContact O-CB 3.26Å; L364-V368 WeakPolarHBondContact O-CB 3.45Å; L364-V368 WeakPolarHBondContact O-CG2 3.28Å; L364-V368 PolarHBondContact O-N 2.61Å; L364-I409 HydrophobicContact CD1-CG2 4.05Å; L364-I409 HydrophobicContact CD2-CG2 3.38Å; L364-I409 HydrophobicContact CG-CG2 4.26Å
365	I	83.3	Confident	74.3	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-43.1	-177.7	-61.5	161.7	0	0	0	111.6	W272 F286 I289 F291 W329 F332 L361 Q362 V368 T369	W272-I365 HydrophobicContact CH2-CD1 3.83Å; W272-I365 HydrophobicContact CZ2-CD1 4.05Å; F286-I365 HydrophobicContact CD1-CB 3.99Å; F286-I365 HydrophobicContact CD1-CD1 3.68Å; F286-I365 HydrophobicContact CD1-CG1 4.44Å; F286-I365 HydrophobicContact CD1-CG2 3.64Å; F286-I365 HydrophobicContact CE1-CB 3.9Å; F286-I365 HydrophobicContact CE1-CD1 4.4Å; F286-I365 HydrophobicContact CE1-CG2 3.59Å; I289-I365 HydrophobicContact CD1-CD1 4.06Å; I289-I365 HydrophobicContact CD1-CG1 3.87Å; I289-I365 HydrophobicContact CD1-CG2 3.84Å; F291-I365 HydrophobicContact CE2-CD1 3.8Å; F291-I365 HydrophobicContact CZ-CD1 4.21Å; W329-I365 HydrophobicContact CH2-CG2 3.89Å; W329-I365 HydrophobicContact CZ3-CG2 4.09Å; F332-I365 HydrophobicContact CE1-CG1 3.87Å; F332-I365 HydrophobicContact CZ-CG1 3.86Å; L361-I365 VanDerWaalsContact O-CG1 3.27Å; L361-I365 WeakPolarHBondContact O-CG1 3.46Å; L361-I365 PolarHBondContact O-N 3.36Å; Q362-I365 PolarHBondContact O-N 3.13Å; Q362-I365 VanDerWaalsContact O-N 3.12Å; I365-V368 PolarHBondContact O-N 3.03Å; I365-T369 PolarHBondContact O-N 2.98Å; I365-T369 PolarHBondContact O-OG1 3.12Å
366	D	78.2	Confident	74.7	Confident	59 Å²	59	35 Å²	35	32%	0.316	19%	0.185	S	C	.	.	H	α-helix	trans	-62.9	-44.9	178.4	-73.1	-24.4	0	0	0	110.7	F286 K287 Q362 L364 V368 T369 V370	F286-D366 VanDerWaalsContact CZ-OD1 3.32Å; F286-D366 WeakPolarHBondContact CZ-OD1 3.46Å; K287-D366 IonicContact NZ-OD1 2.73Å; Q362-D366 WeakPolarHBondContact CG-OD2 3.22Å; Q362-D366 PolarHBondContact NE2-OD2 3.46Å; Q362-D366 WeakPolarHBondContact O-CB 3.45Å; Q362-D366 PolarHBondContact O-N 2.81Å; L364-D366 PolarHBondContact O-N 3.31Å; D366-V368 PolarHBondContact O-N 3.45Å; D366-T369 WeakPolarHBondContact O-CB 3.36Å; D366-T369 PolarHBondContact O-N 3.02Å; D366-V370 PolarHBondContact O-N 3.36Å
367	A	73.4	Confident	74.8	Confident	33 Å²	33	38 Å²	38	27%	0.273	20%	0.198	S	C	.	.	H	α-helix	trans	-63	-42.6	177	0	0	0	0	0	112.1	K363 L364 T369 V370 T371 P412	K363-A367 VanDerWaalsContact O-CB 3.22Å; K363-A367 WeakPolarHBondContact O-CB 3.27Å; K363-A367 PolarHBondContact O-N 3.02Å; K363-A367 VanDerWaalsContact O-N 3.09Å; L364-A367 PolarHBondContact O-N 2.9Å; A367-T369 VanDerWaalsContact C-N 3.34Å; A367-T369 PolarHBondContact O-N 3.26Å; A367-V370 PolarHBondContact O-N 3.08Å; A367-T371 PolarHBondContact O-N 2.84Å; A367-T371 PolarHBondContact O-OG1 3.44Å; A367-P412 HydrophobicContact CB-CB 3.6Å; A367-P412 HydrophobicContact CB-CG 4.28Å
368	V	76.7	Confident	74.2	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-36.4	175.9	162.8	0	0	0	0	112	F328 W329 F332 L364 I365 D366 T371 L372 I408	F328-V368 HydrophobicContact CD1-CG1 4.34Å; F328-V368 HydrophobicContact CE1-CG1 3.26Å; F328-V368 HydrophobicContact CZ-CG1 3.6Å; F328-V368 VanDerWaalsContact CZ-O 3.3Å; F328-V368 WeakPolarHBondContact CZ-O 3.47Å; W329-V368 HydrophobicContact CE3-CG1 4.21Å; W329-V368 HydrophobicContact CH2-CG1 3.77Å; W329-V368 HydrophobicContact CZ3-CB 4.4Å; W329-V368 HydrophobicContact CZ3-CG1 3.45Å; W329-V368 VanDerWaalsContact CZ3-CG1 3.45Å; F332-V368 HydrophobicContact CD2-CB 4.26Å; F332-V368 HydrophobicContact CD2-CG1 3.83Å; F332-V368 HydrophobicContact CD2-CG2 3.6Å; F332-V368 HydrophobicContact CE2-CB 4.17Å; F332-V368 HydrophobicContact CE2-CG1 4.18Å; F332-V368 HydrophobicContact CE2-CG2 3.38Å; F332-V368 HydrophobicContact CG-CG1 4.14Å; F332-V368 HydrophobicContact CZ-CG2 4.29Å; L364-V368 VanDerWaalsContact O-CB 3.26Å; L364-V368 WeakPolarHBondContact O-CB 3.45Å; L364-V368 WeakPolarHBondContact O-CG2 3.28Å; L364-V368 PolarHBondContact O-N 2.61Å; I365-V368 PolarHBondContact O-N 3.03Å; D366-V368 PolarHBondContact O-N 3.45Å; V368-T371 WeakPolarHBondContact O-CB 3.36Å; V368-T371 PolarHBondContact O-N 3.34Å; V368-L372 PolarHBondContact O-N 3.27Å; V368-I408 HydrophobicContact CB-CG2 3.96Å; V368-I408 HydrophobicContact CG1-CG2 3.74Å; V368-I408 HydrophobicContact CG2-CB 4.41Å; V368-I408 HydrophobicContact CG2-CG2 3.54Å
369	T	77.8	Confident	73.7	Confident	16 Å²	16	41.2 Å²	41.2	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-44.3	175.7	-50.2	0	0	0	0	110.6	K287 I365 D366 A367 T371 L372 E373	K287-T369 VanDerWaalsContact NZ-CG2 3.29Å; K287-T369 PolarHBondContact NZ-OG1 3.48Å; I365-T369 PolarHBondContact O-N 2.98Å; I365-T369 PolarHBondContact O-OG1 3.12Å; D366-T369 WeakPolarHBondContact O-CB 3.36Å; D366-T369 PolarHBondContact O-N 3.02Å; A367-T369 VanDerWaalsContact C-N 3.34Å; A367-T369 PolarHBondContact O-N 3.26Å; T369-T371 VanDerWaalsContact C-N 3.27Å; T369-T371 PolarHBondContact O-N 3.15Å; T369-L372 WeakPolarHBondContact O-CB 3.29Å; T369-L372 PolarHBondContact O-N 3.05Å; T369-L372 VanDerWaalsContact O-N 3.14Å; T369-E373 WeakPolarHBondContact O-CG 3.38Å; T369-E373 PolarHBondContact O-N 3.23Å
370	V	71.5	Confident	73.5	Confident	60 Å²	60	47.3 Å²	47.3	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-59.2	-42.5	177.9	174.3	0	0	0	0	110.5	D366 A367 L372 E373 E374	D366-V370 PolarHBondContact O-N 3.36Å; A367-V370 PolarHBondContact O-N 3.08Å; V370-L372 VanDerWaalsContact C-N 3.34Å; V370-L372 PolarHBondContact O-N 3.45Å; V370-E373 PolarHBondContact O-N 2.88Å; V370-E374 WeakPolarHBondContact O-CG 3.44Å; V370-E374 PolarHBondContact O-N 3.28Å
371	T	68.5	Low	72.9	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-41.8	177	-33.1	0	0	0	0	111.9	A367 V368 T369 E374 F375 P412 V414	A367-T371 PolarHBondContact O-N 2.84Å; A367-T371 PolarHBondContact O-OG1 3.44Å; V368-T371 WeakPolarHBondContact O-CB 3.36Å; V368-T371 PolarHBondContact O-N 3.34Å; T369-T371 VanDerWaalsContact C-N 3.27Å; T369-T371 PolarHBondContact O-N 3.15Å; T371-E374 PolarHBondContact O-N 3.37Å; T371-F375 HydrophobicContact CG2-CD2 4.04Å; T371-F375 HydrophobicContact CG2-CE2 3.33Å; T371-F375 HydrophobicContact CG2-CZ 3.71Å; T371-F375 WeakPolarHBondContact O-CD2 3.29Å; T371-F375 WeakPolarHBondContact O-CG 3.17Å; T371-F375 PolarHBondContact O-N 3.45Å; T371-P412 WeakPolarHBondContact CB-O 3.36Å; T371-P412 WeakPolarHBondContact OG1-CA 3.19Å; T371-P412 PolarHBondContact OG1-O 3.29Å; T371-V414 HydrophobicContact CG2-CG2 3.92Å
372	L	73.3	Confident	72	Confident	11 Å²	11	56.8 Å²	56.8	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-47.1	175.7	-179.1	60.5	0	0	0	111.2	L324 E325 F328 W329 V368 T369 V370 E374 F375 V376	L324-L372 HydrophobicContact CD2-CD1 3.99Å; E325-L372 HydrophobicContact CG-CD2 3.98Å; F328-L372 HydrophobicContact CB-CD1 4.07Å; F328-L372 HydrophobicContact CD1-CB 4.08Å; F328-L372 HydrophobicContact CD1-CD1 3.92Å; F328-L372 HydrophobicContact CD1-CD2 4.05Å; F328-L372 HydrophobicContact CD1-CG 4.23Å; F328-L372 HydrophobicContact CD2-CD1 4.24Å; F328-L372 HydrophobicContact CE1-CB 3.64Å; F328-L372 HydrophobicContact CE1-CD1 4.32Å; F328-L372 HydrophobicContact CE1-CD2 4.3Å; F328-L372 HydrophobicContact CE1-CG 4.3Å; F328-L372 HydrophobicContact CG-CD1 3.84Å; F328-L372 HydrophobicContact CZ-CB 3.87Å; W329-L372 HydrophobicContact CZ2-CD2 4.25Å; V368-L372 PolarHBondContact O-N 3.27Å; T369-L372 WeakPolarHBondContact O-CB 3.29Å; T369-L372 PolarHBondContact O-N 3.05Å; T369-L372 VanDerWaalsContact O-N 3.14Å; V370-L372 VanDerWaalsContact C-N 3.34Å; V370-L372 PolarHBondContact O-N 3.45Å; L372-E374 VanDerWaalsContact C-N 3.31Å; L372-E374 PolarHBondContact O-N 3.38Å; L372-F375 PolarHBondContact O-N 3.11Å; L372-F375 VanDerWaalsContact O-N 3.15Å; L372-V376 HydrophobicContact CD1-CG2 4.27Å; L372-V376 HydrophobicContact CG-CG2 4.43Å; L372-V376 VanDerWaalsContact O-CG2 3.28Å; L372-V376 WeakPolarHBondContact O-CG2 3.32Å; L372-V376 PolarHBondContact O-N 3.34Å
373	E	73.1	Confident	71.4	Confident	115 Å²	115	66 Å²	66	54%	0.537	31%	0.312	S	S	.	.	H	α-helix	trans	-58.1	-43.5	177.4	-72.4	172.7	-168.7	0	0	111.6	T369 V370 V376 Q377	T369-E373 WeakPolarHBondContact O-CG 3.38Å; T369-E373 PolarHBondContact O-N 3.23Å; V370-E373 PolarHBondContact O-N 2.88Å; E373-V376 PolarHBondContact O-N 2.96Å; E373-Q377 WeakPolarHBondContact O-CG 3.3Å; E373-Q377 PolarHBondContact O-N 2.98Å
374	E	68.5	Low	71	Confident	45 Å²	45	61.7 Å²	61.7	21%	0.21	31%	0.312	C	S	.	.	H	α-helix	trans	-62.8	-43.2	174.2	-70.6	-179.4	159.4	0	0	111.9	V370 T371 L372 V376 Q377 V378 V414	V370-E374 WeakPolarHBondContact O-CG 3.44Å; V370-E374 PolarHBondContact O-N 3.28Å; T371-E374 PolarHBondContact O-N 3.37Å; L372-E374 VanDerWaalsContact C-N 3.31Å; L372-E374 PolarHBondContact O-N 3.38Å; E374-V376 PolarHBondContact O-N 3.04Å; E374-Q377 WeakPolarHBondContact O-CB 3.4Å; E374-Q377 PolarHBondContact O-N 2.94Å; E374-V378 WeakPolarHBondContact O-CG2 3.47Å; E374-V378 PolarHBondContact O-N 2.88Å; E374-V378 VanDerWaalsContact O-N 3.09Å; E374-V414 HydrophobicContact CB-CB 4.38Å; E374-V414 HydrophobicContact CB-CG2 3.73Å; E374-V414 VanDerWaalsContact OE2-CB 3.26Å; E374-V414 WeakPolarHBondContact OE2-CB 3.37Å; E374-V414 WeakPolarHBondContact OE2-CG2 3.36Å; E374-V414 PolarHBondContact OE2-N 2.97Å
375	F	69.2	Low	70.3	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-45.7	175.6	-72.7	-46	0	0	0	111.7	F328 T371 L372 Q377 V378 L379 L392 I406 V414	F328-F375 HydrophobicContact CD2-CD2 4.45Å; F328-F375 AromaticContact CE2-CD2 3.99Å; F328-F375 HydrophobicContact CE2-CD2 3.99Å; F328-F375 AromaticContact CE2-CE2 3.95Å; F328-F375 HydrophobicContact CE2-CE2 3.95Å; T371-F375 HydrophobicContact CG2-CD2 4.04Å; T371-F375 HydrophobicContact CG2-CE2 3.33Å; T371-F375 HydrophobicContact CG2-CZ 3.71Å; T371-F375 WeakPolarHBondContact O-CD2 3.29Å; T371-F375 WeakPolarHBondContact O-CG 3.17Å; T371-F375 PolarHBondContact O-N 3.45Å; L372-F375 PolarHBondContact O-N 3.11Å; L372-F375 VanDerWaalsContact O-N 3.15Å; F375-Q377 PolarHBondContact O-N 3.49Å; F375-V378 WeakPolarHBondContact O-CB 3.45Å; F375-V378 PolarHBondContact O-N 3.5Å; F375-L379 WeakPolarHBondContact O-CG 3.45Å; F375-L379 PolarHBondContact O-N 2.9Å; F375-L392 HydrophobicContact CD1-CD1 4.41Å; F375-L392 HydrophobicContact CD1-CD2 3.68Å; F375-L392 HydrophobicContact CE1-CD2 3.75Å; F375-I406 HydrophobicContact CD1-CD1 4.49Å; F375-I406 HydrophobicContact CE1-CD1 3.61Å; F375-I406 HydrophobicContact CE1-CG1 4.31Å; F375-I406 HydrophobicContact CE2-CD1 3.69Å; F375-I406 HydrophobicContact CE2-CG1 4.45Å; F375-I406 HydrophobicContact CE2-CG2 3.97Å; F375-I406 HydrophobicContact CZ-CB 4.31Å; F375-I406 HydrophobicContact CZ-CD1 3.16Å; F375-I406 HydrophobicContact CZ-CG1 3.7Å; F375-I406 HydrophobicContact CZ-CG2 3.71Å; F375-V414 HydrophobicContact CD1-CG2 3.97Å; F375-V414 HydrophobicContact CE1-CG1 4.45Å; F375-V414 HydrophobicContact CE1-CG2 3.55Å; F375-V414 HydrophobicContact CE2-CG2 4.47Å; F375-V414 HydrophobicContact CZ-CG2 3.81Å
376	V	70.6	Confident	69.6	Low	27 Å²	27	68 Å²	68	16%	0.164	34%	0.337	C	S	.	.	H	α-helix	trans	-57.4	-41	177.7	170.1	0	0	0	0	110.7	L321 L324 L372 E373 E374 L379 Y380	L321-V376 HydrophobicContact CD1-CB 4.24Å; L321-V376 HydrophobicContact CD1-CG1 3.76Å; L321-V376 HydrophobicContact CD1-CG2 3.5Å; L321-V376 VanDerWaalsContact CD1-CG2 3.5Å; L324-V376 HydrophobicContact CD2-CG2 4.05Å; L372-V376 HydrophobicContact CD1-CG2 4.27Å; L372-V376 HydrophobicContact CG-CG2 4.43Å; L372-V376 VanDerWaalsContact O-CG2 3.28Å; L372-V376 WeakPolarHBondContact O-CG2 3.32Å; L372-V376 PolarHBondContact O-N 3.34Å; E373-V376 PolarHBondContact O-N 2.96Å; E374-V376 PolarHBondContact O-N 3.04Å; V376-L379 WeakPolarHBondContact O-CB 3.43Å; V376-L379 PolarHBondContact O-N 3.31Å; V376-Y380 HydrophobicContact CG1-CD2 3.87Å; V376-Y380 HydrophobicContact CG1-CE2 3.51Å; V376-Y380 WeakPolarHBondContact O-CD2 3.46Å; V376-Y380 PolarHBondContact O-N 3.2Å; V376-Y380 VanDerWaalsContact O-N 3.1Å
377	Q	67.8	Low	68.9	Low	130 Å²	130	65.3 Å²	65.3	61%	0.607	32%	0.323	S	S	*	.	H	α-helix	trans	-59.7	-45.7	173.1	-71.5	176.1	2.3	0	0	112.3	E373 E374 F375 L379 Y380 D381	E373-Q377 WeakPolarHBondContact O-CG 3.3Å; E373-Q377 PolarHBondContact O-N 2.98Å; E374-Q377 WeakPolarHBondContact O-CB 3.4Å; E374-Q377 PolarHBondContact O-N 2.94Å; F375-Q377 PolarHBondContact O-N 3.49Å; Q377-L379 VanDerWaalsContact C-N 3.31Å; Q377-L379 PolarHBondContact O-N 3.3Å; Q377-Y380 WeakPolarHBondContact O-CB 3.4Å; Q377-Y380 PolarHBondContact O-N 2.89Å; Q377-D381 PolarHBondContact O-N 3.49Å
378	V	63.6	Low	68.6	Low	47 Å²	47	66.8 Å²	66.8	29%	0.285	33%	0.328	S	S	.	.	H	α-helix	trans	-62.8	-35.7	176.2	177.1	0	0	0	0	112.2	E374 F375 Y380 D381 H382	E374-V378 WeakPolarHBondContact O-CG2 3.47Å; E374-V378 PolarHBondContact O-N 2.88Å; E374-V378 VanDerWaalsContact O-N 3.09Å; F375-V378 WeakPolarHBondContact O-CB 3.45Å; F375-V378 PolarHBondContact O-N 3.5Å; V378-Y380 VanDerWaalsContact C-N 3.34Å; V378-D381 PolarHBondContact O-N 3.05Å; V378-H382 PolarHBondContact O-N 2.97Å
379	L	64.9	Low	68	Low	29 Å²	29	71.6 Å²	71.6	15%	0.152	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-40.2	175.1	-57.7	-177.2	0	0	0	112.2	L321 L324 F375 V376 Q377 D381 H382 T385	L321-L379 HydrophobicContact CD1-CD1 4.46Å; L324-L379 HydrophobicContact CB-CD1 4.4Å; L324-L379 HydrophobicContact CD1-CD1 3.68Å; L324-L379 HydrophobicContact CD1-CD2 4.04Å; L324-L379 HydrophobicContact CD1-CG 4.43Å; L324-L379 HydrophobicContact CD2-CD1 3.46Å; L324-L379 VanDerWaalsContact CD2-CD1 3.46Å; L324-L379 HydrophobicContact CD2-CG 4.48Å; L324-L379 HydrophobicContact CG-CD1 4Å; F375-L379 WeakPolarHBondContact O-CG 3.45Å; F375-L379 PolarHBondContact O-N 2.9Å; V376-L379 WeakPolarHBondContact O-CB 3.43Å; V376-L379 PolarHBondContact O-N 3.31Å; Q377-L379 VanDerWaalsContact C-N 3.31Å; Q377-L379 PolarHBondContact O-N 3.3Å; L379-D381 PolarHBondContact O-N 3.39Å; L379-H382 CarbonylContact O-C 3.58Å; L379-H382 VanDerWaalsContact O-C 3.26Å; L379-H382 PolarHBondContact O-N 3.34Å; L379-T385 HydrophobicContact CD2-CG2 3.14Å
380	Y	64.3	Low	67.4	Low	173 Å²	173	71.9 Å²	71.9	68%	0.678	36%	0.357	S	S	*	.	H	α-helix	trans	-60.2	-34.3	176.9	-83.8	-69.4	0	0	0	110.9	V376 Q377 V378	V376-Y380 HydrophobicContact CG1-CD2 3.87Å; V376-Y380 HydrophobicContact CG1-CE2 3.51Å; V376-Y380 WeakPolarHBondContact O-CD2 3.46Å; V376-Y380 PolarHBondContact O-N 3.2Å; V376-Y380 VanDerWaalsContact O-N 3.1Å; Q377-Y380 WeakPolarHBondContact O-CB 3.4Å; Q377-Y380 PolarHBondContact O-N 2.89Å; V378-Y380 VanDerWaalsContact C-N 3.34Å
381	D	66.2	Low	67.3	Low	129 Å²	129	70.4 Å²	70.4	69%	0.69	35%	0.35	S	S	*	.	H	α-helix	trans	-77.2	-31	176.1	-65.6	-21.9	0	0	0	113	Q377 V378 L379	Q377-D381 PolarHBondContact O-N 3.49Å; V378-D381 PolarHBondContact O-N 3.05Å; L379-D381 PolarHBondContact O-N 3.39Å
382	H	65.3	Low	67.4	Low	94 Å²	94	70.9 Å²	70.9	44%	0.435	35%	0.353	S	S	.	.	S	Bend	trans	-127.5	93.6	-175.7	-65.9	-70.5	0	0	0	113.4	V378 L379 G384 T385 V394	V378-H382 PolarHBondContact O-N 2.97Å; L379-H382 CarbonylContact O-C 3.58Å; L379-H382 VanDerWaalsContact O-C 3.26Å; L379-H382 PolarHBondContact O-N 3.34Å; H382-G384 PolarHBondContact O-N 3.04Å; H382-T385 PolarHBondContact O-N 3.47Å; H382-T385 PolarHBondContact O-OG1 3.03Å; H382-V394 HydrophobicContact CB-CG1 4.09Å
383	R	66.4	Low	67.4	Low	238 Å²	238	71 Å²	71	90%	0.898	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	131.6	174.7	-78.5	-167	177.9	-153.7	-0.2	112.1	P395	R383-P395 VanDerWaalsContact O-CG 3.24Å; R383-P395 WeakPolarHBondContact O-CG 3.24Å
384	G	67.2	Low	67.3	Low	65 Å²	65	66.1 Å²	66.1	67%	0.67	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.7	1.2	176	0	0	0	0	0	114.7	H382	H382-G384 PolarHBondContact O-N 3.04Å
385	T	67.2	Low	67.4	Low	17 Å²	17	65.7 Å²	65.7	10%	0.104	33%	0.333	C	S	.	.			trans	-65.4	136.6	172.6	-56.5	0	0	0	0	110.5	L379 H382 L392 T393 V394 P395	L379-T385 HydrophobicContact CD2-CG2 3.14Å; H382-T385 PolarHBondContact O-N 3.47Å; H382-T385 PolarHBondContact O-OG1 3.03Å; T385-L392 HydrophobicContact CG2-CD1 3.6Å; T385-L392 HydrophobicContact CG2-CG 4.07Å; T385-T393 CarbonylContact C-O 3.51Å; T385-T393 VanDerWaalsContact CA-O 3.22Å; T385-T393 WeakPolarHBondContact CA-O 3.47Å; T385-T393 WeakPolarHBondContact CG2-O 3.27Å; T385-V394 HydrophobicContact CG2-CB 4.35Å; T385-V394 HydrophobicContact CG2-CG2 3.7Å; T385-P395 WeakPolarHBondContact OG1-CD 3.41Å
386	R	68.3	Low	67.5	Low	131 Å²	131	69.9 Å²	69.9	49%	0.494	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.6	-178.8	61	-179.6	171.8	-171.3	-8.6	111.1	L392 T393 E401	R386-L392 CarbonylContact O-C 3.6Å; R386-L392 WeakPolarHBondContact O-CA 3.34Å; R386-T393 PolarHBondContact N-O 3.49Å; R386-T393 PolarHBondContact O-N 2.98Å; R386-E401 IonicContact NH2-OE1 3.89Å; R386-E401 PolarHBondContact NH2-OE1 3.37Å; R386-E401 IonicContact NH2-OE2 3.94Å; R386-E401 PolarHBondContact NH2-OE2 3.3Å
387	L	63.4	Low	66.9	Low	4 Å²	4	72.3 Å²	72.3	2%	0.021	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.7	174.1	178.3	88	0	0	0	109	L324 N327 F328 A391 L392 I406	L324-L387 HydrophobicContact CD1-CB 3.3Å; L324-L387 HydrophobicContact CG-CB 3.92Å; L324-L387 HydrophobicContact CG-CD2 4.46Å; N327-L387 VanDerWaalsContact CB-O 3.3Å; N327-L387 WeakPolarHBondContact CB-O 3.46Å; N327-L387 PolarHBondContact ND2-O 3.48Å; N327-L387 VanDerWaalsContact ND2-O 3.1Å; F328-L387 HydrophobicContact CB-CD2 3.42Å; F328-L387 VanDerWaalsContact CB-CD2 3.42Å; F328-L387 HydrophobicContact CD2-CD2 3.42Å; F328-L387 VanDerWaalsContact CD2-CD2 3.42Å; F328-L387 HydrophobicContact CG-CD2 3.88Å; L387-A391 WeakPolarHBondContact CA-O 3.45Å; L387-L392 HydrophobicContact CB-CD1 4.2Å; L387-L392 HydrophobicContact CD1-CB 3.91Å; L387-L392 HydrophobicContact CD1-CD1 4.33Å; L387-I406 HydrophobicContact CD1-CD1 3.67Å
388	V	66.4	Low	67.2	Low	64 Å²	64	70.6 Å²	70.6	39%	0.388	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	126.2	178.8	-175.6	0	0	0	0	108.7	S390 A391	V388-S390 VanDerWaalsContact C-N 3.33Å; V388-S390 PolarHBondContact O-N 3.08Å; V388-A391 PolarHBondContact N-O 3.36Å; V388-A391 WeakPolarHBondContact O-CA 3.46Å; V388-A391 VanDerWaalsContact O-CB 3.31Å; V388-A391 WeakPolarHBondContact O-CB 3.42Å; V388-A391 PolarHBondContact O-N 2.87Å
389	D	65.9	Low	67.3	Low	102 Å²	102	72 Å²	72	55%	0.545	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	50.2	175.2	-65.4	-36.3	0	0	0	114.1	R334 A391	R334-D389 IonicContact NH1-OD1 3.16Å; D389-A391 PolarHBondContact O-N 2.84Å
390	S	64.7	Low	67.4	Low	22 Å²	22	76 Å²	76	15%	0.154	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	19	-176.7	-61.6	0	0	0	0	114.9	S331 V388 K405 I406	S331-S390 PolarHBondContact OG-N 2.97Å; S331-S390 PolarHBondContact OG-OG 3.03Å; V388-S390 VanDerWaalsContact C-N 3.33Å; V388-S390 PolarHBondContact O-N 3.08Å; S390-K405 CarbonylContact O-C 3.5Å; S390-K405 WeakPolarHBondContact O-CA 3.35Å; S390-I406 WeakPolarHBondContact CB-O 3.48Å; S390-I406 PolarHBondContact O-N 3.46Å
391	A	69	Low	68	Low	28 Å²	28	72.3 Å²	72.3	23%	0.231	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.1	171.6	0	0	0	0	0	110.7	L387 V388 D389 T403 F404	L387-A391 WeakPolarHBondContact CA-O 3.45Å; V388-A391 PolarHBondContact N-O 3.36Å; V388-A391 WeakPolarHBondContact O-CA 3.46Å; V388-A391 VanDerWaalsContact O-CB 3.31Å; V388-A391 WeakPolarHBondContact O-CB 3.42Å; V388-A391 PolarHBondContact O-N 2.87Å; D389-A391 PolarHBondContact O-N 2.84Å; A391-T403 HydrophobicContact CB-CG2 3.96Å; A391-F404 CarbonylContact C-O 3.46Å; A391-F404 WeakPolarHBondContact CA-O 3.28Å
392	L	70.7	Confident	67.9	Low	11 Å²	11	69.3 Å²	69.3	6%	0.058	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.2	175.4	-180	78.9	0	0	0	109.5	F375 T385 R386 L387 V394 T403 F404 I406	F375-L392 HydrophobicContact CD1-CD1 4.41Å; F375-L392 HydrophobicContact CD1-CD2 3.68Å; F375-L392 HydrophobicContact CE1-CD2 3.75Å; T385-L392 HydrophobicContact CG2-CD1 3.6Å; T385-L392 HydrophobicContact CG2-CG 4.07Å; R386-L392 CarbonylContact O-C 3.6Å; R386-L392 WeakPolarHBondContact O-CA 3.34Å; L387-L392 HydrophobicContact CB-CD1 4.2Å; L387-L392 HydrophobicContact CD1-CB 3.91Å; L387-L392 HydrophobicContact CD1-CD1 4.33Å; L392-V394 HydrophobicContact CD2-CG2 4.17Å; L392-V394 HydrophobicContact CG-CG2 4.25Å; L392-T403 CarbonylContact O-C 3.26Å; L392-T403 VanDerWaalsContact O-CA 3.3Å; L392-T403 WeakPolarHBondContact O-CA 3.33Å; L392-F404 PolarHBondContact N-O 2.95Å; L392-F404 WeakPolarHBondContact O-CD2 3.3Å; L392-F404 PolarHBondContact O-N 3.27Å; L392-I406 HydrophobicContact CB-CD1 3.37Å; L392-I406 HydrophobicContact CB-CG1 4.43Å; L392-I406 HydrophobicContact CD2-CD1 4.36Å; L392-I406 HydrophobicContact CG-CD1 4.4Å
393	T	72.9	Confident	68.2	Low	14 Å²	14	68.7 Å²	68.7	9%	0.086	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	114.2	-179.2	-58.6	0	0	0	0	110	T385 R386 E401 L402 T403	T385-T393 CarbonylContact C-O 3.51Å; T385-T393 VanDerWaalsContact CA-O 3.22Å; T385-T393 WeakPolarHBondContact CA-O 3.47Å; T385-T393 WeakPolarHBondContact CG2-O 3.27Å; R386-T393 PolarHBondContact N-O 3.49Å; R386-T393 PolarHBondContact O-N 2.98Å; T393-E401 HydrophobicContact CG2-CB 3.67Å; T393-E401 HydrophobicContact CG2-CG 4.04Å; T393-E401 WeakPolarHBondContact CG2-OE2 3.43Å; T393-L402 CarbonylContact C-O 3.6Å; T393-L402 WeakPolarHBondContact CA-O 3.41Å; T393-T403 PolarHBondContact OG1-OG1 3.17Å; T393-T403 VanDerWaalsContact OG1-OG1 3.13Å
394	V	71.4	Confident	68	Low	13 Å²	13	59.7 Å²	59.7	8%	0.079	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121	-179	-176.6	0	0	0	0	109.6	H382 T385 L392 E401 L402 F404	H382-V394 HydrophobicContact CB-CG1 4.09Å; T385-V394 HydrophobicContact CG2-CB 4.35Å; T385-V394 HydrophobicContact CG2-CG2 3.7Å; L392-V394 HydrophobicContact CD2-CG2 4.17Å; L392-V394 HydrophobicContact CG-CG2 4.25Å; V394-E401 WeakPolarHBondContact O-CA 3.46Å; V394-L402 PolarHBondContact N-O 3.42Å; V394-L402 PolarHBondContact O-N 3.48Å; V394-F404 HydrophobicContact CG2-CE2 4.12Å
395	P	71.3	Confident	68	Low	36 Å²	36	65.6 Å²	65.6	23%	0.234	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	133.3	174.1	30.5	-32.9	0	0	0	111	R383 T385	R383-P395 VanDerWaalsContact O-CG 3.24Å; R383-P395 WeakPolarHBondContact O-CG 3.24Å; T385-P395 WeakPolarHBondContact OG1-CD 3.41Å
396	L	69.5	Low	67.8	Low	94 Å²	94	65 Å²	65	49%	0.492	37%	0.368	S	S	.	.			trans	-91.1	1.6	179.1	-65.2	-178.7	0	0	0	113.7	D398 K400 L402	L396-D398 VanDerWaalsContact C-N 3.28Å; L396-D398 PolarHBondContact O-N 3.02Å; L396-K400 HydrophobicContact CB-CB 4.43Å; L396-K400 HydrophobicContact CD1-CB 4.31Å; L396-K400 PolarHBondContact N-O 3.06Å; L396-L402 HydrophobicContact CD1-CD1 3.97Å; L396-L402 HydrophobicContact CD1-CD2 4.36Å; L396-L402 HydrophobicContact CD1-CG 3.81Å; L396-L402 HydrophobicContact CD2-CD1 3.8Å; L396-L402 HydrophobicContact CD2-CG 4.25Å; L396-L402 HydrophobicContact CG-CD1 4.18Å; L396-L402 HydrophobicContact CG-CG 4.09Å
397	G	59.8	Low	67.6	Low	78 Å²	78	61.7 Å²	61.7	80%	0.804	36%	0.36	S	S	*	.	S	Bend	trans	84.5	-21	177.3	0	0	0	0	0	115.5	G399	G397-G399 VanDerWaalsContact C-N 3.27Å; G397-G399 PolarHBondContact O-N 3.2Å
398	D	73.5	Confident	67.7	Low	93 Å²	93	61.8 Å²	61.8	50%	0.497	36%	0.36	S	S	.	.	S	Bend	trans	-91.2	19.7	175.9	69.1	-18.4	0	0	0	113.3	L396 K400	L396-D398 VanDerWaalsContact C-N 3.28Å; L396-D398 PolarHBondContact O-N 3.02Å; D398-K400 PolarHBondContact O-N 3.48Å; D398-K400 WeakPolarHBondContact OD1-CB 3.44Å; D398-K400 VanDerWaalsContact OD1-CG 3.27Å; D398-K400 WeakPolarHBondContact OD1-CG 3.5Å; D398-K400 PolarHBondContact OD1-N 3.19Å; D398-K400 VanDerWaalsContact OD1-N 3.13Å; D398-K400 VanDerWaalsContact OD2-CD 3.28Å; D398-K400 WeakPolarHBondContact OD2-CD 3.47Å; D398-K400 VanDerWaalsContact OD2-CE 3.27Å; D398-K400 WeakPolarHBondContact OD2-CE 3.41Å; D398-K400 IonicContact OD2-NZ 3.25Å; D398-K400 PolarHBondContact OD2-NZ 3.3Å
399	G	65.3	Low	67.6	Low	78 Å²	78	59.4 Å²	59.4	80%	0.804	35%	0.345	S	S	*	.	S	Bend	trans	78.1	-0.6	-172.1	0	0	0	0	0	114	G397	G397-G399 VanDerWaalsContact C-N 3.27Å; G397-G399 PolarHBondContact O-N 3.2Å
400	K	67.9	Low	67.5	Low	112 Å²	112	58.6 Å²	58.6	49%	0.487	34%	0.341	S	S	.	.			trans	-86	148.7	171.1	-58.7	179	-172.5	132.5	0	111.1	L396 D398	L396-K400 HydrophobicContact CB-CB 4.43Å; L396-K400 HydrophobicContact CD1-CB 4.31Å; L396-K400 PolarHBondContact N-O 3.06Å; D398-K400 PolarHBondContact O-N 3.48Å; D398-K400 WeakPolarHBondContact OD1-CB 3.44Å; D398-K400 VanDerWaalsContact OD1-CG 3.27Å; D398-K400 WeakPolarHBondContact OD1-CG 3.5Å; D398-K400 PolarHBondContact OD1-N 3.19Å; D398-K400 VanDerWaalsContact OD1-N 3.13Å; D398-K400 VanDerWaalsContact OD2-CD 3.28Å; D398-K400 WeakPolarHBondContact OD2-CD 3.47Å; D398-K400 VanDerWaalsContact OD2-CE 3.27Å; D398-K400 WeakPolarHBondContact OD2-CE 3.41Å; D398-K400 IonicContact OD2-NZ 3.25Å; D398-K400 PolarHBondContact OD2-NZ 3.3Å
401	E	76.1	Confident	67.2	Low	96 Å²	96	63.3 Å²	63.3	45%	0.449	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.9	173.6	-65.1	-175.6	173	0	0	109.1	R386 T393 V394	R386-E401 IonicContact NH2-OE1 3.89Å; R386-E401 PolarHBondContact NH2-OE1 3.37Å; R386-E401 IonicContact NH2-OE2 3.94Å; R386-E401 PolarHBondContact NH2-OE2 3.3Å; T393-E401 HydrophobicContact CG2-CB 3.67Å; T393-E401 HydrophobicContact CG2-CG 4.04Å; T393-E401 WeakPolarHBondContact CG2-OE2 3.43Å; V394-E401 WeakPolarHBondContact O-CA 3.46Å
402	L	64.6	Low	66.4	Low	65 Å²	65	63.9 Å²	63.9	34%	0.34	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.6	166.7	-70.2	175.4	0	0	0	108.8	T393 V394 L396 F404	T393-L402 CarbonylContact C-O 3.6Å; T393-L402 WeakPolarHBondContact CA-O 3.41Å; V394-L402 PolarHBondContact N-O 3.42Å; V394-L402 PolarHBondContact O-N 3.48Å; L396-L402 HydrophobicContact CD1-CD1 3.97Å; L396-L402 HydrophobicContact CD1-CD2 4.36Å; L396-L402 HydrophobicContact CD1-CG 3.81Å; L396-L402 HydrophobicContact CD2-CD1 3.8Å; L396-L402 HydrophobicContact CD2-CG 4.25Å; L396-L402 HydrophobicContact CG-CD1 4.18Å; L396-L402 HydrophobicContact CG-CG 4.09Å; L402-F404 HydrophobicContact CB-CE2 3.6Å; L402-F404 HydrophobicContact CB-CZ 3.64Å; L402-F404 HydrophobicContact CD1-CE2 4.45Å; L402-F404 HydrophobicContact CD1-CZ 3.9Å; L402-F404 HydrophobicContact CG-CZ 4.32Å
403	T	70.1	Confident	65.3	Low	82 Å²	82	67.5 Å²	67.5	50%	0.503	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.4	176.3	-58.9	0	0	0	0	110.5	A391 L392 T393	A391-T403 HydrophobicContact CB-CG2 3.96Å; L392-T403 CarbonylContact O-C 3.26Å; L392-T403 VanDerWaalsContact O-CA 3.3Å; L392-T403 WeakPolarHBondContact O-CA 3.33Å; T393-T403 PolarHBondContact OG1-OG1 3.17Å; T393-T403 VanDerWaalsContact OG1-OG1 3.13Å
404	F	63.8	Low	64	Low	49 Å²	49	68 Å²	68	22%	0.215	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.6	-179.1	-54.7	-80	0	0	0	110.1	A391 L392 V394 L402 F419	A391-F404 CarbonylContact C-O 3.46Å; A391-F404 WeakPolarHBondContact CA-O 3.28Å; L392-F404 PolarHBondContact N-O 2.95Å; L392-F404 WeakPolarHBondContact O-CD2 3.3Å; L392-F404 PolarHBondContact O-N 3.27Å; V394-F404 HydrophobicContact CG2-CE2 4.12Å; L402-F404 HydrophobicContact CB-CE2 3.6Å; L402-F404 HydrophobicContact CB-CZ 3.64Å; L402-F404 HydrophobicContact CD1-CE2 4.45Å; L402-F404 HydrophobicContact CD1-CZ 3.9Å; L402-F404 HydrophobicContact CG-CZ 4.32Å; F404-F419 HydrophobicContact CD1-CD1 4.46Å; F404-F419 AromaticContact CE1-CD1 3.75Å; F404-F419 HydrophobicContact CE1-CD1 3.75Å; F404-F419 HydrophobicContact CE1-CE1 4.15Å; F404-F419 HydrophobicContact CZ-CD1 4.2Å; F404-F419 HydrophobicContact CZ-CE1 4.27Å
405	K	65.7	Low	62.7	Low	189 Å²	189	74.4 Å²	74.4	82%	0.822	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.8	169.2	-165.1	179.5	-176.5	-178.8	0	109	S390	S390-K405 CarbonylContact O-C 3.5Å; S390-K405 WeakPolarHBondContact O-CA 3.35Å
406	I	63.3	Low	61.2	Low	5 Å²	5	75 Å²	75	3%	0.026	42%	0.419	C	S	.	.			trans	-106.6	117.3	-176.3	-61.4	153.6	0	0	0	108.1	F375 L387 S390 L392 I408	F375-I406 HydrophobicContact CD1-CD1 4.49Å; F375-I406 HydrophobicContact CE1-CD1 3.61Å; F375-I406 HydrophobicContact CE1-CG1 4.31Å; F375-I406 HydrophobicContact CE2-CD1 3.69Å; F375-I406 HydrophobicContact CE2-CG1 4.45Å; F375-I406 HydrophobicContact CE2-CG2 3.97Å; F375-I406 HydrophobicContact CZ-CB 4.31Å; F375-I406 HydrophobicContact CZ-CD1 3.16Å; F375-I406 HydrophobicContact CZ-CG1 3.7Å; F375-I406 HydrophobicContact CZ-CG2 3.71Å; L387-I406 HydrophobicContact CD1-CD1 3.67Å; S390-I406 WeakPolarHBondContact CB-O 3.48Å; S390-I406 PolarHBondContact O-N 3.46Å; L392-I406 HydrophobicContact CB-CD1 3.37Å; L392-I406 HydrophobicContact CB-CG1 4.43Å; L392-I406 HydrophobicContact CD2-CD1 4.36Å; L392-I406 HydrophobicContact CG-CD1 4.4Å; I406-I408 HydrophobicContact CB-CG1 4.47Å; I406-I408 HydrophobicContact CG2-CB 4.49Å; I406-I408 HydrophobicContact CG2-CG1 3.76Å; I406-I408 PolarHBondContact O-N 3.47Å
407	D	65.4	Low	59.7	Low	60 Å²	60	72.1 Å²	72.1	32%	0.321	41%	0.405	S	S	.	.			trans	-90.9	92	166.2	178.3	-15.3	0	0	0	108.2	I409 N410 Y411	D407-I409 PolarHBondContact O-N 3.26Å; D407-I409 PolarHBondContact OD1-N 3.44Å; D407-N410 PolarHBondContact O-N 3.33Å; D407-N410 PolarHBondContact OD1-N 3.45Å; D407-N410 WeakPolarHBondContact OD2-CB 3.21Å; D407-N410 PolarHBondContact OD2-ND2 2.83Å; D407-Y411 HydrophobicContact CB-CD2 4.01Å; D407-Y411 PolarHBondContact O-N 3.3Å
408	I	65.3	Low	58.4	Low	7 Å²	7	77.7 Å²	77.7	4%	0.036	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.3	-171.2	-45.1	166.6	0	0	0	111.1	F328 V368 I406	F328-I408 HydrophobicContact CD2-CD1 3.78Å; F328-I408 HydrophobicContact CE1-CG2 4.27Å; F328-I408 HydrophobicContact CE2-CB 4.48Å; F328-I408 HydrophobicContact CE2-CD1 3.54Å; F328-I408 HydrophobicContact CE2-CG1 3.9Å; F328-I408 HydrophobicContact CE2-CG2 3.66Å; F328-I408 HydrophobicContact CG-CD1 4.46Å; F328-I408 HydrophobicContact CZ-CD1 4.07Å; F328-I408 HydrophobicContact CZ-CG1 4.39Å; F328-I408 HydrophobicContact CZ-CG2 3.34Å; V368-I408 HydrophobicContact CB-CG2 3.96Å; V368-I408 HydrophobicContact CG1-CG2 3.74Å; V368-I408 HydrophobicContact CG2-CB 4.41Å; V368-I408 HydrophobicContact CG2-CG2 3.54Å; I406-I408 HydrophobicContact CB-CG1 4.47Å; I406-I408 HydrophobicContact CG2-CB 4.49Å; I406-I408 HydrophobicContact CG2-CG1 3.76Å; I406-I408 PolarHBondContact O-N 3.47Å
409	I	64.1	Low	56.7	Low	14 Å²	14	80.3 Å²	80.3	7%	0.072	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-37.4	-175.1	-45.1	-166	0	0	0	111.5	F332 D335 V338 R347 L364 D407	F332-I409 HydrophobicContact CD2-CD1 4.42Å; F332-I409 HydrophobicContact CD2-CG1 4.35Å; F332-I409 HydrophobicContact CE2-CD1 4.23Å; F332-I409 HydrophobicContact CE2-CG1 4.27Å; D335-I409 HydrophobicContact CB-CD1 3.61Å; D335-I409 WeakPolarHBondContact OD1-CD1 3.43Å; V338-I409 HydrophobicContact CG2-CD1 3.55Å; R347-I409 VanDerWaalsContact NH2-CG2 3.29Å; R347-I409 PolarHBondContact NH2-O 2.98Å; R347-I409 VanDerWaalsContact NH2-O 3.11Å; L364-I409 HydrophobicContact CD1-CG2 4.05Å; L364-I409 HydrophobicContact CD2-CG2 3.38Å; L364-I409 HydrophobicContact CG-CG2 4.26Å; D407-I409 PolarHBondContact O-N 3.26Å; D407-I409 PolarHBondContact OD1-N 3.44Å
410	N	63.8	Low	55.2	Low	85 Å²	85	81.6 Å²	81.6	46%	0.455	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-25.4	177.7	-71.4	-46.3	0	0	0	113.6	R347 D407	R347-N410 VanDerWaalsContact CZ-OD1 3.26Å; R347-N410 PolarHBondContact NH2-OD1 3.34Å; D407-N410 PolarHBondContact O-N 3.33Å; D407-N410 PolarHBondContact OD1-N 3.45Å; D407-N410 WeakPolarHBondContact OD2-CB 3.21Å; D407-N410 PolarHBondContact OD2-ND2 2.83Å
411	Y	57.6	Low	53.6	Low	120 Å²	120	80.7 Å²	80.7	47%	0.471	42%	0.416	S	S	.	.			trans	-130.5	75.2	-173.9	-60.1	-83.1	0	0	0	111.3	D407 N413	D407-Y411 HydrophobicContact CB-CD2 4.01Å; D407-Y411 PolarHBondContact O-N 3.3Å; Y411-N413 VanDerWaalsContact C-N 3.29Å; Y411-N413 PolarHBondContact O-N 3.07Å
412	P	51.6	Low	51.3	Low	41 Å²	41	83.4 Å²	83.4	27%	0.266	43%	0.427	S	S	.	.			trans	-74.8	-13.3	-173.3	29.8	-37.1	0	0	0	114.9	A367 T371	A367-P412 HydrophobicContact CB-CB 3.6Å; A367-P412 HydrophobicContact CB-CG 4.28Å; T371-P412 WeakPolarHBondContact CB-O 3.36Å; T371-P412 WeakPolarHBondContact OG1-CA 3.19Å; T371-P412 PolarHBondContact OG1-O 3.29Å
413	N	49.3	Very low	49.7	Very low	86 Å²	86	86.5 Å²	86.5	46%	0.46	44%	0.443	S	S	.	.	S	Bend	trans	-103.7	125.7	173.5	-71	-16.1	0	0	0	108.6	Y411 N415 S416	Y411-N413 VanDerWaalsContact C-N 3.29Å; Y411-N413 PolarHBondContact O-N 3.07Å; N413-N415 PolarHBondContact O-N 2.88Å; N413-N415 VanDerWaalsContact O-N 3.13Å; N413-S416 WeakPolarHBondContact O-CA 3.44Å; N413-S416 WeakPolarHBondContact O-CB 3.36Å; N413-S416 PolarHBondContact O-N 3.48Å; N413-S416 PolarHBondContact O-OG 2.89Å
414	V	45.4	Very low	47.6	Very low	25 Å²	25	91.6 Å²	91.6	15%	0.152	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-55	-34.9	176.2	171.9	0	0	0	0	110.7	T371 E374 F375 S416 V417	T371-V414 HydrophobicContact CG2-CG2 3.92Å; E374-V414 HydrophobicContact CB-CB 4.38Å; E374-V414 HydrophobicContact CB-CG2 3.73Å; E374-V414 VanDerWaalsContact OE2-CB 3.26Å; E374-V414 WeakPolarHBondContact OE2-CB 3.37Å; E374-V414 WeakPolarHBondContact OE2-CG2 3.36Å; E374-V414 PolarHBondContact OE2-N 2.97Å; F375-V414 HydrophobicContact CD1-CG2 3.97Å; F375-V414 HydrophobicContact CE1-CG1 4.45Å; F375-V414 HydrophobicContact CE1-CG2 3.55Å; F375-V414 HydrophobicContact CE2-CG2 4.47Å; F375-V414 HydrophobicContact CZ-CG2 3.81Å; V414-S416 PolarHBondContact O-N 3.09Å; V414-S416 VanDerWaalsContact O-N 3.1Å; V414-V417 WeakPolarHBondContact O-CB 3.12Å; V414-V417 PolarHBondContact O-N 2.97Å
415	N	42.6	Very low	45.8	Very low	148 Å²	148	96 Å²	96	79%	0.791	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-63.6	-15.6	176	-68.4	-34.9	0	0	0	114.4	N413	N413-N415 PolarHBondContact O-N 2.88Å; N413-N415 VanDerWaalsContact O-N 3.13Å
416	S	41.4	Very low	43.8	Very low	48 Å²	48	93.6 Å²	93.6	34%	0.336	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-89.3	-14.7	176.7	72.1	0	0	0	0	113.4	N413 V414 K418	N413-S416 WeakPolarHBondContact O-CA 3.44Å; N413-S416 WeakPolarHBondContact O-CB 3.36Å; N413-S416 PolarHBondContact O-N 3.48Å; N413-S416 PolarHBondContact O-OG 2.89Å; V414-S416 PolarHBondContact O-N 3.09Å; V414-S416 VanDerWaalsContact O-N 3.1Å; S416-K418 PolarHBondContact O-N 3.47Å
417	V	36.8	Very low	42	Very low	33 Å²	33	104 Å²	104	20%	0.2	53%	0.532	C	S	.	.	S	Bend	trans	-72.9	93.4	171.8	-174.1	0	0	0	0	107.6	V414 F419	V414-V417 WeakPolarHBondContact O-CB 3.12Å; V414-V417 PolarHBondContact O-N 2.97Å; V417-F419 PolarHBondContact O-N 3.16Å; V417-F419 VanDerWaalsContact O-N 3.08Å
418	K	33.3	Very low	40.9	Very low	195 Å²	195	106.2 Å²	106.2	85%	0.848	54%	0.543	S	S	*	.			trans	-61.2	115	172	-80.4	-176.2	176	178.8	0	108.8	S416 D420	S416-K418 PolarHBondContact O-N 3.47Å; K418-D420 VanDerWaalsContact C-N 3.32Å; K418-D420 PolarHBondContact O-N 3.22Å
419	F	36.8	Very low	39.6	Very low	148 Å²	148	111.4 Å²	111.4	65%	0.649	57%	0.569	S	S	*	*			trans	-61.7	88.4	172	-58.5	-85.7	0	0	0	109.9	F404 V417 A421	F404-F419 HydrophobicContact CD1-CD1 4.46Å; F404-F419 AromaticContact CE1-CD1 3.75Å; F404-F419 HydrophobicContact CE1-CD1 3.75Å; F404-F419 HydrophobicContact CE1-CE1 4.15Å; F404-F419 HydrophobicContact CZ-CD1 4.2Å; F404-F419 HydrophobicContact CZ-CE1 4.27Å; V417-F419 PolarHBondContact O-N 3.16Å; V417-F419 VanDerWaalsContact O-N 3.08Å; F419-A421 PolarHBondContact O-N 3.09Å
420	D	35.1	Very low	38.2	Very low	106 Å²	106	116.8 Å²	116.8	57%	0.567	60%	0.597	S	S	*	*			trans	-81.5	97.8	168.9	-150	-5.2	0	0	0	106.5	K418 K422	K418-D420 VanDerWaalsContact C-N 3.32Å; K418-D420 PolarHBondContact O-N 3.22Å; D420-K422 PolarHBondContact O-N 3.46Å; D420-K422 WeakPolarHBondContact OD1-CG 3.29Å; D420-K422 IonicContact OD1-NZ 2.72Å; D420-K422 VanDerWaalsContact OD2-CD 3.31Å; D420-K422 WeakPolarHBondContact OD2-CD 3.44Å; D420-K422 VanDerWaalsContact OD2-CE 3.28Å; D420-K422 WeakPolarHBondContact OD2-CE 3.48Å; D420-K422 IonicContact OD2-NZ 3.85Å; D420-K422 PolarHBondContact OD2-NZ 3.17Å
421	A	33.2	Very low	36.7	Very low	93 Å²	93	118.7 Å²	118.7	77%	0.769	61%	0.605	S	S	*	*			trans	-68.8	40.5	175.2	0	0	0	0	0	111.9	F419 N423	F419-A421 PolarHBondContact O-N 3.09Å; A421-N423 PolarHBondContact O-N 3.27Å
422	K	28.9	Very low	35.4	Very low	153 Å²	153	118.6 Å²	118.6	67%	0.665	61%	0.614	S	S	*	*			trans	-77.6	-2.9	-173.7	-99.3	-177.2	-165.7	145.5	0	114.7	D420 K424	D420-K422 PolarHBondContact O-N 3.46Å; D420-K422 WeakPolarHBondContact OD1-CG 3.29Å; D420-K422 IonicContact OD1-NZ 2.72Å; D420-K422 VanDerWaalsContact OD2-CD 3.31Å; D420-K422 WeakPolarHBondContact OD2-CD 3.44Å; D420-K422 VanDerWaalsContact OD2-CE 3.28Å; D420-K422 WeakPolarHBondContact OD2-CE 3.48Å; D420-K422 IonicContact OD2-NZ 3.85Å; D420-K422 PolarHBondContact OD2-NZ 3.17Å; K422-K424 PolarHBondContact O-N 3.37Å
423	N	30.1	Very low	34.3	Very low	129 Å²	129	123.8 Å²	123.8	69%	0.69	64%	0.637	S	S	*	*			trans	-76.3	79.1	158.5	-70.6	-13.1	0	0	0	107.9	A421 F425	A421-N423 PolarHBondContact O-N 3.27Å; N423-F425 HydrophobicContact CB-CE2 4.37Å; N423-F425 VanDerWaalsContact O-CD2 3.28Å; N423-F425 WeakPolarHBondContact O-CD2 3.45Å; N423-F425 PolarHBondContact O-N 3.35Å
424	K	25.3	Very low	33.3	Very low	190 Å²	190	126.5 Å²	126.5	83%	0.826	65%	0.65	S	S	*	*			trans	-52.7	95.2	152.9	-74.8	-178.4	176	-178.8	0	106.2	K422 V426	K422-K424 PolarHBondContact O-N 3.37Å; K424-V426 VanDerWaalsContact C-N 3.34Å; K424-V426 PolarHBondContact O-N 3.04Å
425	F	26.4	Very low	32.3	Very low	141 Å²	141	134.3 Å²	134.3	62%	0.618	69%	0.688	S	S	*	*			trans	-61.1	105.2	161.4	-71.8	-86.4	0	0	0	106	N423 I427	N423-F425 HydrophobicContact CB-CE2 4.37Å; N423-F425 VanDerWaalsContact O-CD2 3.28Å; N423-F425 WeakPolarHBondContact O-CD2 3.45Å; N423-F425 PolarHBondContact O-N 3.35Å; F425-I427 PolarHBondContact O-N 3.33Å
426	V	23.5	Very low	31.5	Very low	138 Å²	138	133.2 Å²	133.2	84%	0.836	68%	0.679	S	S	*	*			trans	-66.5	112	155.9	-179.2	0	0	0	0	104.2	K424	K424-V426 VanDerWaalsContact C-N 3.34Å; K424-V426 PolarHBondContact O-N 3.04Å
427	I	26.7	Very low	30.6	Very low	224 Å²	224	140.9 Å²	140.9	100%	1.149	71%	0.711	S	S	*	*			trans	-65.2	0	168.2	-62.5	174.8	0	0	0	108.3	F425	F425-I427 PolarHBondContact O-N 3.33Å

Retrieved 427 of 427 residues in 454.7 ms (Link to these results)

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