A0A077Z5C4_TRITR Loading...

UDP-glucuronosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z5C4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 514 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	48.5	Very low	46.2	Very low	221 Å²	221	122.9 Å²	122.9	100%	1.089	64%	0.642	S	S	*	*				0	-44.1	0	-88	177.9	166.1	0	0	115.1	Y3 A4	M1-Y3 PolarHBondContact O-N 2.76Å; M1-A4 PolarHBondContact O-N 2.79Å; M1-A4 VanDerWaalsContact O-N 3.12Å
2	K	46	Very low	45.7	Very low	188 Å²	188	118.4 Å²	118.4	82%	0.817	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-20	-174.1	-70.2	-171.9	176.7	-177.9	0	117.1	T5	K2-T5 PolarHBondContact O-OG1 2.78Å
3	Y	45.9	Very low	44.8	Very low	204 Å²	204	117 Å²	117	80%	0.8	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-18.3	177.3	-72.3	-79.9	0	0	0	114.7	M1	M1-Y3 PolarHBondContact O-N 2.76Å
4	A	47.8	Very low	44.1	Very low	61 Å²	61	113.2 Å²	113.2	50%	0.504	62%	0.621	S	S	.	*	H	α-helix	trans	-77.2	-33.3	-177.6	0	0	0	0	0	112.5	M1	M1-A4 PolarHBondContact O-N 2.79Å; M1-A4 VanDerWaalsContact O-N 3.12Å
5	T	48.9	Very low	43.8	Very low	101 Å²	101	115.8 Å²	115.8	62%	0.62	63%	0.632	S	S	*	*	H	α-helix	trans	-69.9	-31.1	179.9	40.7	0	0	0	0	113.2	K2 A9	K2-T5 PolarHBondContact O-OG1 2.78Å; T5-A9 PolarHBondContact O-N 3.08Å
6	T	49.1	Very low	43.4	Very low	79 Å²	79	113.4 Å²	113.4	49%	0.485	63%	0.633	S	S	.	*	H	α-helix	trans	-71.5	-35.6	-179.7	-44.3	0	0	0	0	112.5	A9 I10	T6-A9 PolarHBondContact O-N 3.43Å; T6-I10 HydrophobicContact CG2-CD1 4.3Å; T6-I10 WeakPolarHBondContact O-CG1 3.3Å; T6-I10 PolarHBondContact O-N 3.17Å
7	I	49.4	Very low	43	Very low	104 Å²	104	116.4 Å²	116.4	53%	0.533	64%	0.643	S	S	.	*	H	α-helix	trans	-70.7	-36.7	-178.8	-64.4	174.6	0	0	0	111.3	A9 I10 L11	I7-A9 VanDerWaalsContact C-N 3.33Å; I7-A9 PolarHBondContact O-N 2.89Å; I7-I10 PolarHBondContact O-N 3.4Å; I7-L11 HydrophobicContact CG2-CD1 4.01Å; I7-L11 PolarHBondContact O-N 2.92Å
8	I	47.3	Very low	42.8	Very low	119 Å²	119	120.3 Å²	120.3	61%	0.61	65%	0.653	S	S	*	*	H	α-helix	trans	-65.7	-36.7	176.9	-63.1	172.8	0	0	0	111.1	L11 A12	I8-L11 PolarHBondContact O-N 3.2Å; I8-A12 VanDerWaalsContact O-CB 3.28Å; I8-A12 WeakPolarHBondContact O-CB 3.46Å; I8-A12 PolarHBondContact O-N 2.92Å
9	A	42.8	Very low	42.7	Very low	57 Å²	57	117.1 Å²	117.1	47%	0.471	65%	0.65	S	S	.	*	H	α-helix	trans	-67.3	-34.6	175.5	0	0	0	0	0	113.1	T5 T6 I7 T13	T5-A9 PolarHBondContact O-N 3.08Å; T6-A9 PolarHBondContact O-N 3.43Å; I7-A9 VanDerWaalsContact C-N 3.33Å; I7-A9 PolarHBondContact O-N 2.89Å; A9-T13 PolarHBondContact O-N 3.46Å; A9-T13 PolarHBondContact O-OG1 3.46Å
10	I	42.4	Very low	42.7	Very low	110 Å²	110	118.3 Å²	118.3	56%	0.564	66%	0.661	S	S	*	*	H	α-helix	trans	-74.6	-38.7	177.1	-65.4	168.2	0	0	0	110.8	T6 I7 T13 S14	T6-I10 HydrophobicContact CG2-CD1 4.3Å; T6-I10 WeakPolarHBondContact O-CG1 3.3Å; T6-I10 PolarHBondContact O-N 3.17Å; I7-I10 PolarHBondContact O-N 3.4Å; I10-T13 WeakPolarHBondContact CA-OG1 3.44Å; I10-T13 PolarHBondContact O-N 3.43Å; I10-T13 PolarHBondContact O-OG1 3.44Å; I10-S14 PolarHBondContact O-N 2.99Å
11	L	40.5	Very low	43.3	Very low	108 Å²	108	115.3 Å²	115.3	57%	0.565	65%	0.652	S	S	*	*	H	α-helix	trans	-67.2	-40.6	173.7	-76	166.8	0	0	0	112.2	I7 I8 T13 S14 L15	I7-L11 HydrophobicContact CG2-CD1 4.01Å; I7-L11 PolarHBondContact O-N 2.92Å; I8-L11 PolarHBondContact O-N 3.2Å; L11-T13 VanDerWaalsContact C-N 3.29Å; L11-T13 PolarHBondContact O-N 3.32Å; L11-S14 PolarHBondContact O-N 3.43Å; L11-S14 PolarHBondContact O-OG 2.95Å; L11-L15 PolarHBondContact O-N 3.46Å
12	A	39.9	Very low	44.6	Very low	69 Å²	69	113.2 Å²	113.2	57%	0.57	64%	0.636	S	S	*	*	H	α-helix	trans	-63.5	-32.3	176.7	0	0	0	0	0	113.3	I8	I8-A12 VanDerWaalsContact O-CB 3.28Å; I8-A12 WeakPolarHBondContact O-CB 3.46Å; I8-A12 PolarHBondContact O-N 2.92Å
13	T	34.6	Very low	46.6	Very low	100 Å²	100	108.8 Å²	108.8	61%	0.613	63%	0.625	S	S	*	*	H	α-helix	trans	-80	-28.1	174.9	43.9	0	0	0	0	112.9	A9 I10 L11 L15 A16	A9-T13 PolarHBondContact O-N 3.46Å; A9-T13 PolarHBondContact O-OG1 3.46Å; I10-T13 WeakPolarHBondContact CA-OG1 3.44Å; I10-T13 PolarHBondContact O-N 3.43Å; I10-T13 PolarHBondContact O-OG1 3.44Å; L11-T13 VanDerWaalsContact C-N 3.29Å; L11-T13 PolarHBondContact O-N 3.32Å; T13-L15 VanDerWaalsContact C-N 3.35Å; T13-L15 PolarHBondContact O-N 3.49Å; T13-A16 PolarHBondContact O-N 3.3Å
14	S	35	Very low	48.8	Very low	64 Å²	64	101.1 Å²	101.1	45%	0.448	60%	0.596	S	S	.	*	H	α-helix	trans	-68.2	-29	173.8	76.1	0	0	0	0	114.1	I10 L11 A16	I10-S14 PolarHBondContact O-N 2.99Å; L11-S14 PolarHBondContact O-N 3.43Å; L11-S14 PolarHBondContact O-OG 2.95Å; S14-A16 VanDerWaalsContact C-N 3.27Å; S14-A16 PolarHBondContact O-N 2.62Å
15	L	39.1	Very low	51	Low	152 Å²	152	101.2 Å²	101.2	80%	0.796	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-10.9	178.9	-125.5	74.5	0	0	0	113.9	L11 T13 M17	L11-L15 PolarHBondContact O-N 3.46Å; T13-L15 VanDerWaalsContact C-N 3.35Å; T13-L15 PolarHBondContact O-N 3.49Å; L15-M17 VanDerWaalsContact C-N 3.33Å
16	A	37.4	Very low	53.1	Low	77 Å²	77	96.4 Å²	96.4	64%	0.636	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-0.6	177.5	0	0	0	0	0	113.4	T13 S14 K18	T13-A16 PolarHBondContact O-N 3.3Å; S14-A16 VanDerWaalsContact C-N 3.27Å; S14-A16 PolarHBondContact O-N 2.62Å; A16-K18 PolarHBondContact O-N 3.07Å
17	M	35.8	Very low	55.3	Low	165 Å²	165	92.6 Å²	92.6	81%	0.813	54%	0.535	S	S	*	.			trans	-76.2	47.7	168.2	-60.9	-157.6	82.1	0	0	112.5	L15 G19	L15-M17 VanDerWaalsContact C-N 3.33Å; M17-G19 PolarHBondContact O-N 3.09Å
18	K	40.7	Very low	57.5	Low	187 Å²	187	87.7 Å²	87.7	81%	0.813	51%	0.509	S	S	*	.			trans	-61.4	92.3	145.5	-83.2	-171.9	174.7	-174	0	105.3	A16 T20	A16-K18 PolarHBondContact O-N 3.07Å; K18-T20 PolarHBondContact O-N 3.06Å
19	G	39.8	Very low	59.7	Low	58 Å²	58	82 Å²	82	60%	0.598	48%	0.48	S	S	*	.			trans	-47.4	131.1	-171	0	0	0	0	0	110.5	M17 A21	M17-G19 PolarHBondContact O-N 3.09Å; G19-A21 VanDerWaalsContact C-N 3.32Å; G19-A21 PolarHBondContact O-N 3.05Å
20	T	43.4	Very low	62.1	Low	141 Å²	141	79.3 Å²	79.3	87%	0.865	46%	0.458	S	S	*	.			trans	-49.5	91.7	-168.1	51	0	0	0	0	111.3	K18 K22	K18-T20 PolarHBondContact O-N 3.06Å; T20-K22 PolarHBondContact O-N 2.82Å
21	A	55.9	Low	64.3	Low	57 Å²	57	74.1 Å²	74.1	47%	0.471	43%	0.432	S	S	.	.			trans	-71.2	100.8	-177.7	0	0	0	0	0	106.4	G19 V23	G19-A21 VanDerWaalsContact C-N 3.32Å; G19-A21 PolarHBondContact O-N 3.05Å; A21-V23 PolarHBondContact O-N 3.46Å; A21-V23 VanDerWaalsContact O-N 3.07Å
22	K	74.6	Confident	66.5	Low	176 Å²	176	69 Å²	69	77%	0.765	41%	0.405	S	S	*	.			trans	-50.7	120.2	-179.2	-160.9	177.2	-170.1	-179.9	0	107.6	T20 K24	T20-K22 PolarHBondContact O-N 2.82Å; K22-K24 WeakPolarHBondContact O-CD 3.23Å; K22-K24 VanDerWaalsContact O-CG 3.27Å; K22-K24 WeakPolarHBondContact O-CG 3.18Å; K22-K24 PolarHBondContact O-N 3.11Å
23	V	88.5	Confident	68.5	Low	95 Å²	95	66.3 Å²	66.3	58%	0.576	38%	0.384	S	S	*	.			trans	-50.8	129	-175.8	176.9	0	0	0	0	109.3	A21 N54	A21-V23 PolarHBondContact O-N 3.46Å; A21-V23 VanDerWaalsContact O-N 3.07Å; V23-N54 HydrophobicContact CG1-CB 4.33Å
24	K	92.6	Very high	70.7	Confident	44 Å²	44	62.1 Å²	62.1	19%	0.191	36%	0.359	C	S	.	.			trans	-109.9	143.4	-175.6	-61.5	-49.3	-146.8	155.1	0	110.8	K22 I26 N54 D138 L434	K22-K24 WeakPolarHBondContact O-CD 3.23Å; K22-K24 VanDerWaalsContact O-CG 3.27Å; K22-K24 WeakPolarHBondContact O-CG 3.18Å; K22-K24 PolarHBondContact O-N 3.11Å; K24-I26 HydrophobicContact CB-CG1 4.4Å; K24-N54 PolarHBondContact O-N 3.21Å; K24-D138 WeakPolarHBondContact CA-OD2 3.27Å; K24-D138 HydrophobicContact CB-CB 3.98Å; K24-D138 HydrophobicContact CD-CB 4.06Å; K24-D138 WeakPolarHBondContact CD-OD1 3.34Å; K24-D138 HydrophobicContact CG-CB 4.37Å; K24-D138 IonicContact NZ-OD1 2.72Å; K24-D138 PolarHBondContact NZ-OD1 3.48Å; K24-L434 HydrophobicContact CB-CD1 4.25Å; K24-L434 HydrophobicContact CB-CD2 4.47Å; K24-L434 HydrophobicContact CG-CB 4.38Å; K24-L434 HydrophobicContact CG-CD1 4.13Å; K24-L434 HydrophobicContact CG-CD2 4.16Å; K24-L434 HydrophobicContact CG-CG 4.45Å
25	N	92.5	Very high	72.9	Confident	62 Å²	62	60.8 Å²	60.8	33%	0.332	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	114.2	173	-61.2	-64.6	0	0	0	109.1	N54 W137 D138	N25-N54 PolarHBondContact OD1-ND2 2.87Å; N25-W137 HydrophobicContact CB-CE3 4.05Å; N25-W137 HydrophobicContact CB-CZ3 4.31Å; N25-D138 PolarHBondContact N-OD2 2.83Å; N25-D138 PolarHBondContact O-N 3.38Å
26	I	94.4	Very high	74.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.4	-177.2	-51	177.8	0	0	0	109.1	K24 F28 L48 H53 N54 I55 S56 L139 I141 I430 L434	K24-I26 HydrophobicContact CB-CG1 4.4Å; I26-F28 HydrophobicContact CG2-CD2 4.36Å; I26-F28 HydrophobicContact CG2-CE2 4.11Å; I26-L48 HydrophobicContact CD1-CD1 4.2Å; I26-L48 HydrophobicContact CD1-CD2 4.43Å; I26-H53 HydrophobicContact CD1-CB 3.96Å; I26-N54 PolarHBondContact N-O 3.35Å; I26-I55 HydrophobicContact CB-CD1 3.72Å; I26-I55 HydrophobicContact CD1-CD1 3.87Å; I26-I55 HydrophobicContact CG1-CD1 4.08Å; I26-I55 HydrophobicContact CG2-CD1 4.47Å; I26-S56 PolarHBondContact O-N 3.3Å; I26-L139 WeakPolarHBondContact CA-O 3.35Å; I26-L139 HydrophobicContact CG1-CB 4.43Å; I26-L139 HydrophobicContact CG2-CB 4.29Å; I26-I141 HydrophobicContact CG2-CD1 3.83Å; I26-I141 HydrophobicContact CG2-CG1 4.1Å; I26-I430 HydrophobicContact CD1-CG2 4.35Å; I26-L434 HydrophobicContact CD1-CD1 3.75Å
27	L	94.5	Very high	77	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123	177.6	-173.2	68.5	0	0	0	111.6	M29 S56 V58 I76 L132 W137 L139 L140 I141	L27-M29 HydrophobicContact CD2-CG 3.99Å; L27-M29 HydrophobicContact CD2-SD 3.95Å; L27-M29 HydrophobicContact CG-CG 4.1Å; L27-S56 WeakPolarHBondContact CA-O 3.44Å; L27-V58 HydrophobicContact CD1-CG2 3.72Å; L27-V58 HydrophobicContact CD2-CG2 4.23Å; L27-V58 HydrophobicContact CG-CG2 4.18Å; L27-I76 HydrophobicContact CD1-CD1 4.41Å; L27-L132 HydrophobicContact CD2-CD1 3.56Å; L27-L132 HydrophobicContact CD2-CD2 4.48Å; L27-L132 HydrophobicContact CD2-CG 4.25Å; L27-W137 HydrophobicContact CB-CD2 3.82Å; L27-W137 HydrophobicContact CB-CE3 3.65Å; L27-W137 HydrophobicContact CB-CG 4.41Å; L27-W137 HydrophobicContact CB-CH2 4.3Å; L27-W137 HydrophobicContact CB-CZ2 4.46Å; L27-W137 HydrophobicContact CB-CZ3 3.9Å; L27-W137 HydrophobicContact CD1-CH2 3.84Å; L27-W137 HydrophobicContact CD1-CZ2 4.08Å; L27-W137 HydrophobicContact CD1-CZ3 4.16Å; L27-W137 HydrophobicContact CD2-CD2 4.47Å; L27-W137 HydrophobicContact CD2-CZ2 4.28Å; L27-L139 PolarHBondContact N-O 2.72Å; L27-L140 HydrophobicContact CB-CD2 3.78Å; L27-L140 HydrophobicContact CD2-CD2 4.08Å; L27-L140 CarbonylContact O-C 3.58Å; L27-L140 WeakPolarHBondContact O-CA 3.31Å; L27-I141 PolarHBondContact O-N 3.3Å
28	F	95.1	Very high	79.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.2	168.7	-77.9	-106.3	0	0	0	110.9	I26 M41 L44 A45 L48 I55 S56 L57 V58 I141	I26-F28 HydrophobicContact CG2-CD2 4.36Å; I26-F28 HydrophobicContact CG2-CE2 4.11Å; F28-M41 HydrophobicContact CB-SD 4.43Å; F28-M41 HydrophobicContact CD1-CB 3.8Å; F28-M41 HydrophobicContact CD1-CE 3.78Å; F28-M41 HydrophobicContact CD1-CG 4.1Å; F28-M41 HydrophobicContact CD1-SD 3.81Å; F28-M41 HydrophobicContact CE1-CB 4.11Å; F28-M41 HydrophobicContact CE1-CE 4.46Å; F28-L44 HydrophobicContact CE1-CD2 4.21Å; F28-L44 HydrophobicContact CE1-CG 4.49Å; F28-L44 HydrophobicContact CZ-CD2 4.33Å; F28-L44 HydrophobicContact CZ-CG 4.28Å; F28-A45 HydrophobicContact CD2-CB 4.44Å; F28-A45 HydrophobicContact CE1-CB 4.34Å; F28-A45 HydrophobicContact CE2-CB 3.97Å; F28-A45 HydrophobicContact CZ-CB 3.89Å; F28-L48 HydrophobicContact CE2-CD1 3.91Å; F28-L48 HydrophobicContact CZ-CD1 3.74Å; F28-I55 HydrophobicContact CD2-CG2 3.56Å; F28-I55 HydrophobicContact CE2-CG2 3.63Å; F28-S56 PolarHBondContact N-O 2.78Å; F28-L57 HydrophobicContact CB-CB 4.08Å; F28-L57 HydrophobicContact CB-CD1 4.03Å; F28-L57 HydrophobicContact CB-CG 3.79Å; F28-L57 WeakPolarHBondContact O-CA 3.25Å; F28-V58 PolarHBondContact O-N 3.35Å; F28-I141 CarbonylContact C-O 3.5Å; F28-I141 WeakPolarHBondContact CA-O 3.46Å; F28-I141 HydrophobicContact CD1-CB 4.1Å; F28-I141 HydrophobicContact CD1-CG2 4.05Å; F28-I141 HydrophobicContact CD2-CD1 4.49Å; F28-I141 HydrophobicContact CE1-CB 4.21Å; F28-I141 HydrophobicContact CE1-CD1 3.99Å; F28-I141 HydrophobicContact CE1-CG2 3.95Å; F28-I141 HydrophobicContact CE2-CD1 3.83Å; F28-I141 HydrophobicContact CG-CB 4.36Å; F28-I141 HydrophobicContact CZ-CD1 3.56Å
29	M	94.4	Very high	81.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	83.4	173.3	-59.2	-172.3	71.9	0	0	109.8	L27 V58 I141 V142 D143 Q147 C149 G150	L27-M29 HydrophobicContact CD2-CG 3.99Å; L27-M29 HydrophobicContact CD2-SD 3.95Å; L27-M29 HydrophobicContact CG-CG 4.1Å; M29-V58 HydrophobicContact CG-CB 4.43Å; M29-V58 HydrophobicContact CG-CG2 4Å; M29-I141 PolarHBondContact N-O 2.8Å; M29-V142 HydrophobicContact CB-CG1 4.46Å; M29-V142 HydrophobicContact CB-CG2 4.18Å; M29-V142 HydrophobicContact CG-CG2 4.48Å; M29-V142 HydrophobicContact SD-CG2 4.45Å; M29-D143 PolarHBondContact O-N 3.22Å; M29-Q147 HydrophobicContact CB-CG 4.04Å; M29-C149 HydrophobicContact CE-CB 4.41Å; M29-G150 VanDerWaalsContact SD-CA 3.56Å
30	P	92.2	Very high	83.5	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-63.4	165.4	170.9	23.1	-32.5	0	0	0	112.8	H37 V38 M41 L57 V58 Q147	P30-H37 HydrophobicContact CB-CB 4.17Å; P30-V38 HydrophobicContact CB-CG2 4.06Å; P30-V38 HydrophobicContact CG-CB 4.35Å; P30-V38 HydrophobicContact CG-CG2 3.65Å; P30-M41 HydrophobicContact CB-SD 3.59Å; P30-M41 VanDerWaalsContact CB-SD 3.59Å; P30-M41 HydrophobicContact CG-SD 4.13Å; P30-L57 HydrophobicContact CG-CD2 3.92Å; P30-L57 HydrophobicContact CG-CG 4.4Å; P30-V58 WeakPolarHBondContact CD-O 3.34Å; P30-V58 WeakPolarHBondContact CG-O 3.47Å; P30-Q147 PolarHBondContact O-NE2 3Å
31	A	88.9	Confident	85.7	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.008	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-47.7	138.8	172	0	0	0	0	0	113.6	A34 H37 D143 I145 F146	A31-A34 HydrophobicContact CB-CB 4.02Å; A31-H37 HydrophobicContact CB-CB 3.86Å; A31-H37 WeakPolarHBondContact CB-ND1 3.29Å; A31-D143 WeakPolarHBondContact CB-OD2 3.44Å; A31-D143 PolarHBondContact N-OD2 2.64Å; A31-D143 VanDerWaalsContact N-OD2 3.08Å; A31-I145 WeakPolarHBondContact CB-O 3.48Å; A31-F146 HydrophobicContact CB-CB 4.31Å
32	M	87.9	Confident	87.3	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	134.8	-178.9	-62	-176.3	81	0	0	111.2	A34 Y60 I80 L85 A115 C116 F146 P148	M32-A34 PolarHBondContact O-N 3.1Å; M32-Y60 HydrophobicContact CB-CD2 4.41Å; M32-Y60 HydrophobicContact CB-CG 4.19Å; M32-Y60 HydrophobicContact CE-CD1 3.31Å; M32-Y60 HydrophobicContact CE-CD2 4.42Å; M32-Y60 HydrophobicContact CE-CE1 3.5Å; M32-Y60 VanDerWaalsContact CE-CE1 3.5Å; M32-Y60 HydrophobicContact CE-CG 3.81Å; M32-Y60 HydrophobicContact CG-CD1 4.34Å; M32-Y60 HydrophobicContact CG-CD2 3.83Å; M32-Y60 HydrophobicContact CG-CE2 4.24Å; M32-Y60 HydrophobicContact CG-CG 3.89Å; M32-I80 HydrophobicContact CE-CG2 3.95Å; M32-L85 WeakPolarHBondContact O-CD1 3.48Å; M32-A115 HydrophobicContact CE-CB 3.92Å; M32-C116 HydrophobicContact CE-CB 4.02Å; M32-C116 HydrophobicContact SD-CB 3.79Å; M32-F146 WeakPolarHBondContact CB-O 3.37Å; M32-F146 VanDerWaalsContact CG-O 3.3Å; M32-F146 WeakPolarHBondContact CG-O 3.47Å; M32-F146 PolarHBondContact N-O 2.89Å; M32-P148 HydrophobicContact SD-CG 4.23Å
33	G	81.4	Confident	87.9	Confident	12 Å²	12	22.5 Å²	22.5	12%	0.124	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	15.2	174.6	0	0	0	0	0	115.2	P35 Y60	G33-P35 WeakPolarHBondContact O-CD 3.34Å; G33-Y60 PolarHBondContact N-O 3.24Å
34	A	81.3	Confident	88	Confident	11 Å²	11	18 Å²	18	9%	0.091	10%	0.102	C	C	.	.			trans	-122	88.3	-176.3	0	0	0	0	0	112.1	A31 M32 S36 H37 V38 L85	A31-A34 HydrophobicContact CB-CB 4.02Å; M32-A34 PolarHBondContact O-N 3.1Å; A34-S36 PolarHBondContact O-N 2.9Å; A34-H37 HydrophobicContact CB-CB 4.18Å; A34-H37 PolarHBondContact O-N 3.46Å; A34-V38 PolarHBondContact O-N 3.38Å; A34-L85 HydrophobicContact CB-CD1 4.49Å
35	P	80.8	Confident	88	Confident	36 Å²	36	16 Å²	16	23%	0.234	9%	0.093	C	C	.	.	H	α-helix	trans	-58.8	-22.4	178.9	-26.7	36.4	0	0	0	114.3	G33 K39 E66 V68	G33-P35 WeakPolarHBondContact O-CD 3.34Å; P35-K39 WeakPolarHBondContact O-CB 3.33Å; P35-K39 VanDerWaalsContact O-CG 3.31Å; P35-K39 WeakPolarHBondContact O-CG 3.2Å; P35-K39 PolarHBondContact O-N 3.3Å; P35-E66 HydrophobicContact CG-CB 3.78Å; P35-E66 HydrophobicContact CG-CG 4.31Å; P35-E66 WeakPolarHBondContact CG-O 3.48Å; P35-V68 HydrophobicContact CB-CG2 4.19Å
36	S	77.3	Confident	88	Confident	50 Å²	50	16 Å²	16	35%	0.35	9%	0.091	S	C	.	.	H	α-helix	trans	-65.6	-37.2	172.1	46.2	0	0	0	0	113	A34 S40	A34-S36 PolarHBondContact O-N 2.9Å; S36-S40 WeakPolarHBondContact O-CB 3.47Å; S36-S40 PolarHBondContact O-N 3.29Å; S36-S40 VanDerWaalsContact O-N 3.08Å
37	H	85.4	Confident	87.8	Confident	26 Å²	26	17.2 Å²	17.2	12%	0.12	10%	0.098	C	C	.	.	H	α-helix	trans	-74.2	-42.2	177.3	-71.6	-131.1	0	0	0	110.4	P30 A31 A34 K39 S40 M41 D143 T167	P30-H37 HydrophobicContact CB-CB 4.17Å; A31-H37 HydrophobicContact CB-CB 3.86Å; A31-H37 WeakPolarHBondContact CB-ND1 3.29Å; A34-H37 HydrophobicContact CB-CB 4.18Å; A34-H37 PolarHBondContact O-N 3.46Å; H37-K39 PolarHBondContact O-N 3.12Å; H37-S40 WeakPolarHBondContact CA-OG 3.31Å; H37-S40 PolarHBondContact O-N 2.91Å; H37-S40 VanDerWaalsContact O-N 3.1Å; H37-S40 PolarHBondContact O-OG 3.39Å; H37-M41 PolarHBondContact O-N 3.06Å; H37-D143 IonicContact CE1-OD2 2.63Å; H37-D143 IonicContact CG-OD2 2.64Å; H37-D143 IonicContact ND1-OD1 3.5Å; H37-D143 IonicContact ND1-OD2 3.1Å; H37-D143 PolarHBondContact ND1-OD2 3.38Å; H37-T167 HydrophobicContact CB-CG2 4.21Å; H37-T167 PolarHBondContact CE1-OG1 2.89Å; H37-T167 PolarHBondContact ND1-OG1 3.24Å
38	V	87.9	Confident	87.7	Confident	2 Å²	2	17.2 Å²	17.2	1%	0.012	10%	0.098	C	C	.	.	H	α-helix	trans	-51.4	-55.2	170.5	174.9	0	0	0	0	110.8	P30 A34 S40 M41 L57 Q59 V68 F75	P30-V38 HydrophobicContact CB-CG2 4.06Å; P30-V38 HydrophobicContact CG-CB 4.35Å; P30-V38 HydrophobicContact CG-CG2 3.65Å; A34-V38 PolarHBondContact O-N 3.38Å; V38-S40 VanDerWaalsContact C-N 3.25Å; V38-S40 PolarHBondContact O-N 3.38Å; V38-M41 PolarHBondContact O-N 3.44Å; V38-M41 VanDerWaalsContact O-N 3.1Å; V38-L57 HydrophobicContact CG1-CD2 3.9Å; V38-Q59 HydrophobicContact CG2-CB 4.37Å; V38-Q59 HydrophobicContact CG2-CG 3.91Å; V38-V68 HydrophobicContact CB-CG2 4.37Å; V38-V68 HydrophobicContact CG1-CB 3.8Å; V38-V68 HydrophobicContact CG1-CG1 4.17Å; V38-V68 HydrophobicContact CG1-CG2 3.94Å; V38-F75 HydrophobicContact CG1-CE1 3.86Å; V38-F75 HydrophobicContact CG1-CZ 4.5Å
39	K	83.8	Confident	87.7	Confident	81 Å²	81	19.2 Å²	19.2	35%	0.352	11%	0.11	S	C	.	.	H	α-helix	trans	-62.4	-29.8	179.3	-72	177.1	-178.9	-168.2	0	113.7	P35 H37 M41 I42 V68	P35-K39 WeakPolarHBondContact O-CB 3.33Å; P35-K39 VanDerWaalsContact O-CG 3.31Å; P35-K39 WeakPolarHBondContact O-CG 3.2Å; P35-K39 PolarHBondContact O-N 3.3Å; H37-K39 PolarHBondContact O-N 3.12Å; K39-M41 VanDerWaalsContact C-N 3.28Å; K39-M41 PolarHBondContact O-N 3.48Å; K39-I42 PolarHBondContact O-N 3.3Å; K39-V68 HydrophobicContact CD-CG2 4.47Å; K39-V68 HydrophobicContact CG-CG1 4.02Å; K39-V68 HydrophobicContact CG-CG2 4.06Å
40	S	80.8	Confident	87.5	Confident	4 Å²	4	26.3 Å²	26.3	3%	0.028	14%	0.141	C	C	.	.	H	α-helix	trans	-69.8	-24	176.6	74.4	0	0	0	0	113.7	S36 H37 V38 Y165 T167 Y273	S36-S40 WeakPolarHBondContact O-CB 3.47Å; S36-S40 PolarHBondContact O-N 3.29Å; S36-S40 VanDerWaalsContact O-N 3.08Å; H37-S40 WeakPolarHBondContact CA-OG 3.31Å; H37-S40 PolarHBondContact O-N 2.91Å; H37-S40 VanDerWaalsContact O-N 3.1Å; H37-S40 PolarHBondContact O-OG 3.39Å; V38-S40 VanDerWaalsContact C-N 3.25Å; V38-S40 PolarHBondContact O-N 3.38Å; S40-Y165 PolarHBondContact O-OH 2.86Å; S40-T167 WeakPolarHBondContact OG-CG2 3.46Å; S40-Y273 WeakPolarHBondContact O-CD1 3.43Å
41	M	88.7	Confident	87.4	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-87.4	-15.3	178.4	-69.7	-179.9	126.3	0	0	113.6	F28 P30 H37 V38 K39 L44 A45 L57 I141 Y165	F28-M41 HydrophobicContact CB-SD 4.43Å; F28-M41 HydrophobicContact CD1-CB 3.8Å; F28-M41 HydrophobicContact CD1-CE 3.78Å; F28-M41 HydrophobicContact CD1-CG 4.1Å; F28-M41 HydrophobicContact CD1-SD 3.81Å; F28-M41 HydrophobicContact CE1-CB 4.11Å; F28-M41 HydrophobicContact CE1-CE 4.46Å; P30-M41 HydrophobicContact CB-SD 3.59Å; P30-M41 VanDerWaalsContact CB-SD 3.59Å; P30-M41 HydrophobicContact CG-SD 4.13Å; H37-M41 PolarHBondContact O-N 3.06Å; V38-M41 PolarHBondContact O-N 3.44Å; V38-M41 VanDerWaalsContact O-N 3.1Å; K39-M41 VanDerWaalsContact C-N 3.28Å; K39-M41 PolarHBondContact O-N 3.48Å; M41-L44 PolarHBondContact O-N 2.99Å; M41-A45 WeakPolarHBondContact O-CB 3.37Å; M41-A45 PolarHBondContact O-N 3.48Å; M41-L57 HydrophobicContact CB-CD1 4.47Å; M41-I141 HydrophobicContact CE-CG2 3.87Å; M41-Y165 HydrophobicContact CE-CD1 3.45Å; M41-Y165 VanDerWaalsContact CE-CD1 3.45Å; M41-Y165 HydrophobicContact CE-CD2 4.11Å; M41-Y165 HydrophobicContact CE-CE1 3.9Å; M41-Y165 HydrophobicContact CE-CE2 4.5Å; M41-Y165 HydrophobicContact CE-CG 3.52Å; M41-Y165 HydrophobicContact CG-CD1 4.08Å; M41-Y165 HydrophobicContact CG-CE1 3.51Å; M41-Y165 HydrophobicContact SD-CD1 4.46Å; M41-Y165 HydrophobicContact SD-CE1 4.45Å
42	I	90	Very high	87.6	Confident	18 Å²	18	31.5 Å²	31.5	9%	0.092	18%	0.177	C	C	.	.	H	α-helix	trans	-59	-49.2	-175.3	-68.9	177	0	0	0	112.9	K39 L44 A45 E46 V68 I73	K39-I42 PolarHBondContact O-N 3.3Å; I42-L44 VanDerWaalsContact C-N 3.28Å; I42-L44 PolarHBondContact O-N 3.05Å; I42-A45 CarbonylContact O-C 3.5Å; I42-A45 WeakPolarHBondContact O-CA 3.45Å; I42-A45 WeakPolarHBondContact O-CB 3.38Å; I42-A45 PolarHBondContact O-N 3.09Å; I42-E46 HydrophobicContact CG2-CG 3.93Å; I42-E46 WeakPolarHBondContact O-CG 3.31Å; I42-E46 PolarHBondContact O-N 3.39Å; I42-V68 HydrophobicContact CD1-CG1 3.77Å; I42-I73 HydrophobicContact CG2-CD1 4.27Å
43	P	87.3	Confident	87.9	Confident	28 Å²	28	32.1 Å²	32.1	18%	0.182	18%	0.18	C	C	.	.	H	α-helix	trans	-59.2	-37.5	-176.9	-26.5	36	0	0	0	113.8	N47 T423	P43-N47 PolarHBondContact O-N 3.01Å; P43-N47 VanDerWaalsContact O-N 3.16Å; P43-T423 HydrophobicContact CB-CG2 4.03Å
44	L	90.5	Very high	88.5	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-70.4	-42.9	174.8	-177.7	64.7	0	0	0	111.6	F28 M41 I42 N47 L48 Y165 L251 L271 T423 I430	F28-L44 HydrophobicContact CE1-CD2 4.21Å; F28-L44 HydrophobicContact CE1-CG 4.49Å; F28-L44 HydrophobicContact CZ-CD2 4.33Å; F28-L44 HydrophobicContact CZ-CG 4.28Å; M41-L44 PolarHBondContact O-N 2.99Å; I42-L44 VanDerWaalsContact C-N 3.28Å; I42-L44 PolarHBondContact O-N 3.05Å; L44-N47 PolarHBondContact O-N 3.02Å; L44-L48 HydrophobicContact CG-CD1 4.34Å; L44-L48 WeakPolarHBondContact O-CG 3.43Å; L44-L48 PolarHBondContact O-N 2.85Å; L44-Y165 HydrophobicContact CD2-CD2 4.37Å; L44-Y165 HydrophobicContact CD2-CE2 3.66Å; L44-L251 HydrophobicContact CD2-CD1 3.93Å; L44-L271 HydrophobicContact CD2-CD1 3.93Å; L44-T423 HydrophobicContact CB-CG2 4.45Å; L44-I430 HydrophobicContact CD1-CD1 4.02Å; L44-I430 HydrophobicContact CD2-CD1 3.89Å; L44-I430 HydrophobicContact CG-CD1 4.21Å
45	A	93.2	Very high	89.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.6	-43	175.5	0	0	0	0	0	111.9	F28 M41 I42 N47 L48 V49 I55 I73	F28-A45 HydrophobicContact CD2-CB 4.44Å; F28-A45 HydrophobicContact CE1-CB 4.34Å; F28-A45 HydrophobicContact CE2-CB 3.97Å; F28-A45 HydrophobicContact CZ-CB 3.89Å; M41-A45 WeakPolarHBondContact O-CB 3.37Å; M41-A45 PolarHBondContact O-N 3.48Å; I42-A45 CarbonylContact O-C 3.5Å; I42-A45 WeakPolarHBondContact O-CA 3.45Å; I42-A45 WeakPolarHBondContact O-CB 3.38Å; I42-A45 PolarHBondContact O-N 3.09Å; A45-N47 PolarHBondContact O-N 2.97Å; A45-L48 PolarHBondContact O-N 3.02Å; A45-V49 WeakPolarHBondContact O-CG2 3.44Å; A45-V49 PolarHBondContact O-N 3.25Å; A45-I55 HydrophobicContact CB-CG2 3.98Å; A45-I73 HydrophobicContact CB-CD1 3.66Å; A45-I73 HydrophobicContact CB-CG1 4.4Å
46	E	91.6	Very high	89.8	Confident	63 Å²	63	32.8 Å²	32.8	29%	0.294	18%	0.177	S	C	.	.	H	α-helix	trans	-59.9	-43.1	174.7	-72.1	-178.2	99.4	0	0	112.3	I42 L48 V49 K50 H70 I73	I42-E46 HydrophobicContact CG2-CG 3.93Å; I42-E46 WeakPolarHBondContact O-CG 3.31Å; I42-E46 PolarHBondContact O-N 3.39Å; E46-L48 VanDerWaalsContact C-N 3.33Å; E46-L48 PolarHBondContact O-N 2.98Å; E46-V49 PolarHBondContact O-N 2.93Å; E46-K50 VanDerWaalsContact O-CG 3.29Å; E46-K50 WeakPolarHBondContact O-CG 3.37Å; E46-K50 PolarHBondContact O-N 2.82Å; E46-H70 IonicContact OE1-CE1 3.15Å; E46-H70 PolarHBondContact OE1-CE1 2.94Å; E46-H70 VanDerWaalsContact OE1-CE1 3.26Å; E46-H70 IonicContact OE1-NE2 2.64Å; E46-H70 PolarHBondContact OE1-NE2 3.46Å; E46-I73 HydrophobicContact CG-CD1 4.39Å
47	N	90.4	Very high	90.6	Very high	26 Å²	26	30.4 Å²	30.4	14%	0.139	16%	0.161	C	C	.	.	H	α-helix	trans	-65.1	-37.5	177	-78	1.1	0	0	0	112	P43 L44 A45 K50 D51	P43-N47 PolarHBondContact O-N 3.01Å; P43-N47 VanDerWaalsContact O-N 3.16Å; L44-N47 PolarHBondContact O-N 3.02Å; A45-N47 PolarHBondContact O-N 2.97Å; N47-K50 WeakPolarHBondContact O-CB 3.32Å; N47-K50 PolarHBondContact O-N 3.31Å; N47-K50 PolarHBondContact OD1-NZ 3.34Å; N47-D51 PolarHBondContact O-N 3.18Å
48	L	93.3	Very high	91	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-70.1	-31.7	174.1	-63.4	166.7	0	0	0	113.1	I26 F28 L44 A45 E46 D51 G52 H53 I55 I141 S427 I430	I26-L48 HydrophobicContact CD1-CD1 4.2Å; I26-L48 HydrophobicContact CD1-CD2 4.43Å; F28-L48 HydrophobicContact CE2-CD1 3.91Å; F28-L48 HydrophobicContact CZ-CD1 3.74Å; L44-L48 HydrophobicContact CG-CD1 4.34Å; L44-L48 WeakPolarHBondContact O-CG 3.43Å; L44-L48 PolarHBondContact O-N 2.85Å; A45-L48 PolarHBondContact O-N 3.02Å; E46-L48 VanDerWaalsContact C-N 3.33Å; E46-L48 PolarHBondContact O-N 2.98Å; L48-D51 PolarHBondContact O-N 3.4Å; L48-G52 PolarHBondContact O-N 3.04Å; L48-H53 WeakPolarHBondContact O-CB 3.47Å; L48-H53 PolarHBondContact O-N 3.07Å; L48-I55 HydrophobicContact CB-CD1 3.68Å; L48-I55 HydrophobicContact CB-CG1 4.18Å; L48-I55 HydrophobicContact CD1-CD1 4.41Å; L48-I141 HydrophobicContact CD1-CD1 4.13Å; L48-S427 WeakPolarHBondContact CD2-OG 3.48Å; L48-I430 HydrophobicContact CD1-CD1 3.95Å; L48-I430 HydrophobicContact CD1-CG2 4.27Å; L48-I430 HydrophobicContact CD2-CB 3.97Å; L48-I430 HydrophobicContact CD2-CD1 4.29Å; L48-I430 HydrophobicContact CD2-CG2 3.53Å
49	V	93.9	Very high	91.2	Very high	42 Å²	42	29 Å²	29	26%	0.255	15%	0.154	S	C	.	.	H	α-helix	trans	-63.9	-43.7	169.2	173	0	0	0	0	110.5	A45 E46 D51 G52 I55 I73	A45-V49 WeakPolarHBondContact O-CG2 3.44Å; A45-V49 PolarHBondContact O-N 3.25Å; E46-V49 PolarHBondContact O-N 2.93Å; V49-D51 VanDerWaalsContact C-N 3.29Å; V49-D51 PolarHBondContact O-N 3.14Å; V49-G52 WeakPolarHBondContact O-CA 3.41Å; V49-G52 PolarHBondContact O-N 3.32Å; V49-I55 HydrophobicContact CG2-CB 3.94Å; V49-I55 HydrophobicContact CG2-CG1 3.48Å; V49-I55 VanDerWaalsContact CG2-CG1 3.48Å; V49-I73 HydrophobicContact CG2-CG1 4.35Å
50	K	91.8	Very high	91.6	Very high	149 Å²	149	25.4 Å²	25.4	65%	0.648	14%	0.138	S	C	*	.	H	α-helix	trans	-63.6	-33.4	175.6	-65.3	165.3	-158	160.9	0	112.4	E46 N47 G52	E46-K50 VanDerWaalsContact O-CG 3.29Å; E46-K50 WeakPolarHBondContact O-CG 3.37Å; E46-K50 PolarHBondContact O-N 2.82Å; N47-K50 WeakPolarHBondContact O-CB 3.32Å; N47-K50 PolarHBondContact O-N 3.31Å; N47-K50 PolarHBondContact OD1-NZ 3.34Å; K50-G52 PolarHBondContact O-N 2.88Å
51	D	90.2	Very high	92	Very high	72 Å²	72	26.6 Å²	26.6	39%	0.385	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-1.8	170.6	-77.7	-20	0	0	0	113.2	N47 L48 V49 S427 S431	N47-D51 PolarHBondContact O-N 3.18Å; L48-D51 PolarHBondContact O-N 3.4Å; V49-D51 VanDerWaalsContact C-N 3.29Å; V49-D51 PolarHBondContact O-N 3.14Å; D51-S427 PolarHBondContact OD2-OG 2.93Å; D51-S431 PolarHBondContact OD2-OG 3.43Å
52	G	92.2	Very high	91.8	Very high	39 Å²	39	28 Å²	28	40%	0.402	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	24	174.4	0	0	0	0	0	114.4	L48 V49 K50	L48-G52 PolarHBondContact O-N 3.04Å; V49-G52 WeakPolarHBondContact O-CA 3.41Å; V49-G52 PolarHBondContact O-N 3.32Å; K50-G52 PolarHBondContact O-N 2.88Å
53	H	93.7	Very high	91.5	Very high	13 Å²	13	31.3 Å²	31.3	6%	0.06	17%	0.165	C	C	.	.			trans	-96.3	149.9	176.6	-60.4	-21.3	0	0	0	112.2	I26 L48 I55	I26-H53 HydrophobicContact CD1-CB 3.96Å; L48-H53 WeakPolarHBondContact O-CB 3.47Å; L48-H53 PolarHBondContact O-N 3.07Å; H53-I55 HydrophobicContact CB-CD1 3.85Å
54	N	93.9	Very high	91.3	Very high	66 Å²	66	38.6 Å²	38.6	35%	0.353	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	112.9	175	-178.7	28.3	0	0	0	109.4	V23 K24 N25 I26	V23-N54 HydrophobicContact CG1-CB 4.33Å; K24-N54 PolarHBondContact O-N 3.21Å; N25-N54 PolarHBondContact OD1-ND2 2.87Å; I26-N54 PolarHBondContact N-O 3.35Å
55	I	95.2	Very high	90.9	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.4	-172.8	-49.2	-55.7	0	0	0	111.3	I26 F28 A45 L48 V49 H53 I73 Q74	I26-I55 HydrophobicContact CB-CD1 3.72Å; I26-I55 HydrophobicContact CD1-CD1 3.87Å; I26-I55 HydrophobicContact CG1-CD1 4.08Å; I26-I55 HydrophobicContact CG2-CD1 4.47Å; F28-I55 HydrophobicContact CD2-CG2 3.56Å; F28-I55 HydrophobicContact CE2-CG2 3.63Å; A45-I55 HydrophobicContact CB-CG2 3.98Å; L48-I55 HydrophobicContact CB-CD1 3.68Å; L48-I55 HydrophobicContact CB-CG1 4.18Å; L48-I55 HydrophobicContact CD1-CD1 4.41Å; V49-I55 HydrophobicContact CG2-CB 3.94Å; V49-I55 HydrophobicContact CG2-CG1 3.48Å; V49-I55 VanDerWaalsContact CG2-CG1 3.48Å; H53-I55 HydrophobicContact CB-CD1 3.85Å; I55-I73 HydrophobicContact CG2-CG2 4.24Å; I55-Q74 PolarHBondContact O-N 3Å
56	S	94.3	Very high	90.3	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143.7	167.6	-72.6	0	0	0	0	110.6	I26 L27 F28 Q74	I26-S56 PolarHBondContact O-N 3.3Å; L27-S56 WeakPolarHBondContact CA-O 3.44Å; F28-S56 PolarHBondContact N-O 2.78Å; S56-Q74 CarbonylContact C-O 3.58Å; S56-Q74 VanDerWaalsContact CA-O 3.3Å; S56-Q74 WeakPolarHBondContact CA-O 3.11Å
57	L	94.3	Very high	90.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	121.8	178.4	-170.9	155.3	0	0	0	110.7	F28 P30 V38 M41 Q59 I73 Q74 F75 I76	F28-L57 HydrophobicContact CB-CB 4.08Å; F28-L57 HydrophobicContact CB-CD1 4.03Å; F28-L57 HydrophobicContact CB-CG 3.79Å; F28-L57 WeakPolarHBondContact O-CA 3.25Å; P30-L57 HydrophobicContact CG-CD2 3.92Å; P30-L57 HydrophobicContact CG-CG 4.4Å; V38-L57 HydrophobicContact CG1-CD2 3.9Å; M41-L57 HydrophobicContact CB-CD1 4.47Å; L57-Q59 HydrophobicContact CD2-CB 4.39Å; L57-Q59 PolarHBondContact O-N 2.86Å; L57-I73 HydrophobicContact CB-CG2 3.96Å; L57-Q74 PolarHBondContact N-O 3.45Å; L57-F75 HydrophobicContact CD2-CD1 4.01Å; L57-F75 HydrophobicContact CD2-CE1 3.74Å; L57-F75 HydrophobicContact CD2-CZ 4.48Å; L57-F75 WeakPolarHBondContact O-CA 3.31Å; L57-I76 PolarHBondContact O-N 3.3Å
58	V	93.4	Very high	90	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	113.7	177.5	-168.3	0	0	0	0	109.8	L27 F28 M29 P30 Y60 I76 V78 F128	L27-V58 HydrophobicContact CD1-CG2 3.72Å; L27-V58 HydrophobicContact CD2-CG2 4.23Å; L27-V58 HydrophobicContact CG-CG2 4.18Å; F28-V58 PolarHBondContact O-N 3.35Å; M29-V58 HydrophobicContact CG-CB 4.43Å; M29-V58 HydrophobicContact CG-CG2 4Å; P30-V58 WeakPolarHBondContact CD-O 3.34Å; P30-V58 WeakPolarHBondContact CG-O 3.47Å; V58-Y60 HydrophobicContact CB-CE2 4.19Å; V58-Y60 HydrophobicContact CG1-CD2 4.06Å; V58-Y60 HydrophobicContact CG1-CE2 3.42Å; V58-Y60 VanDerWaalsContact CG1-CE2 3.42Å; V58-I76 CarbonylContact C-O 3.5Å; V58-I76 WeakPolarHBondContact CA-O 3.39Å; V58-V78 HydrophobicContact CG1-CG2 3.92Å; V58-F128 HydrophobicContact CG1-CE1 4.35Å; V58-F128 HydrophobicContact CG1-CZ 3.87Å; V58-F128 HydrophobicContact CG2-CE2 4.45Å; V58-F128 HydrophobicContact CG2-CZ 3.96Å
59	Q	93	Very high	89.8	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	111.9	171.7	-178.3	170.5	14.6	0	0	111.3	V38 L57 E66 V68 F75 I76 Y77 V78	V38-Q59 HydrophobicContact CG2-CB 4.37Å; V38-Q59 HydrophobicContact CG2-CG 3.91Å; L57-Q59 HydrophobicContact CD2-CB 4.39Å; L57-Q59 PolarHBondContact O-N 2.86Å; Q59-E66 PolarHBondContact NE2-O 2.63Å; Q59-V68 PolarHBondContact OE1-O 3.41Å; Q59-F75 HydrophobicContact CB-CD1 4.2Å; Q59-I76 PolarHBondContact N-O 3.05Å; Q59-Y77 HydrophobicContact CB-CD1 4.12Å; Q59-Y77 HydrophobicContact CB-CE1 4.3Å; Q59-Y77 WeakPolarHBondContact O-CA 3.46Å; Q59-V78 PolarHBondContact O-N 3.06Å
60	Y	91.3	Very high	89.6	Confident	4 Å²	4	56 Å²	56	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.7	165.8	-62.6	-87.1	0	0	0	110.2	M32 G33 V58 V78 I80 Y129	M32-Y60 HydrophobicContact CB-CD2 4.41Å; M32-Y60 HydrophobicContact CB-CG 4.19Å; M32-Y60 HydrophobicContact CE-CD1 3.31Å; M32-Y60 HydrophobicContact CE-CD2 4.42Å; M32-Y60 HydrophobicContact CE-CE1 3.5Å; M32-Y60 VanDerWaalsContact CE-CE1 3.5Å; M32-Y60 HydrophobicContact CE-CG 3.81Å; M32-Y60 HydrophobicContact CG-CD1 4.34Å; M32-Y60 HydrophobicContact CG-CD2 3.83Å; M32-Y60 HydrophobicContact CG-CE2 4.24Å; M32-Y60 HydrophobicContact CG-CG 3.89Å; G33-Y60 PolarHBondContact N-O 3.24Å; V58-Y60 HydrophobicContact CB-CE2 4.19Å; V58-Y60 HydrophobicContact CG1-CD2 4.06Å; V58-Y60 HydrophobicContact CG1-CE2 3.42Å; V58-Y60 VanDerWaalsContact CG1-CE2 3.42Å; Y60-V78 WeakPolarHBondContact CA-O 3.49Å; Y60-V78 HydrophobicContact CD1-CB 3.65Å; Y60-V78 HydrophobicContact CD1-CG1 3.76Å; Y60-V78 HydrophobicContact CD1-CG2 4.39Å; Y60-V78 HydrophobicContact CE1-CB 3.74Å; Y60-V78 HydrophobicContact CE1-CG1 3.65Å; Y60-V78 HydrophobicContact CE1-CG2 4.07Å; Y60-V78 HydrophobicContact CG-CB 4.43Å; Y60-I80 HydrophobicContact CD1-CG2 3.78Å; Y60-Y129 VanDerWaalsContact CE1-OH 3.27Å; Y60-Y129 WeakPolarHBondContact CE1-OH 3.22Å; Y60-Y129 PolarHBondContact OH-OH 3.31Å
61	Y	88.9	Confident	89.4	Confident	29 Å²	29	56.9 Å²	56.9	11%	0.114	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	146.1	-177.6	70.3	-75.5	0	0	0	111.8	K67 Y77 V78 L79 I80	Y61-K67 HydrophobicContact CD2-CG 4.21Å; Y61-K67 VanDerWaalsContact CE1-CE 3.5Å; Y61-K67 HydrophobicContact CG-CG 4.22Å; Y61-K67 WeakPolarHBondContact OH-CE 3.17Å; Y61-K67 PolarHBondContact OH-NZ 3.15Å; Y61-Y77 HydrophobicContact CD1-CD1 4.42Å; Y61-V78 WeakPolarHBondContact CD1-O 3.39Å; Y61-V78 WeakPolarHBondContact CE1-O 3.26Å; Y61-V78 PolarHBondContact N-O 2.63Å; Y61-L79 HydrophobicContact CD2-CD1 4.05Å; Y61-L79 HydrophobicContact CE1-CB 4.23Å; Y61-L79 HydrophobicContact CE2-CD1 3.55Å; Y61-L79 WeakPolarHBondContact O-CA 3.31Å; Y61-I80 VanDerWaalsContact O-CG1 3.26Å; Y61-I80 WeakPolarHBondContact O-CG1 3.33Å; Y61-I80 PolarHBondContact O-N 2.69Å
62	N	85.5	Confident	89.4	Confident	29 Å²	29	57.1 Å²	57.1	16%	0.155	29%	0.289	C	S	.	.	S	Bend	trans	-87.8	-44.9	169.3	-81.1	-65.4	0	0	0	110.6	E66 I80 G82 M83	N62-E66 WeakPolarHBondContact CA-OE2 3.3Å; N62-E66 PolarHBondContact N-OE2 2.86Å; N62-I80 PolarHBondContact OD1-O 3.24Å; N62-G82 PolarHBondContact OD1-N 2.86Å; N62-M83 PolarHBondContact ND2-O 3.12Å; N62-M83 VanDerWaalsContact ND2-O 3.08Å; N62-M83 PolarHBondContact OD1-N 3.5Å; N62-M83 PolarHBondContact OD1-O 3.15Å
63	E	83.3	Confident	89.4	Confident	88 Å²	88	55.7 Å²	55.7	41%	0.411	27%	0.272	S	S	.	.	S	Bend	trans	-125.9	149.1	-171.5	-64.5	-177.8	-175.2	0	0	112.8	R65 E66	E63-R65 HydrophobicContact CB-CG 4.23Å; E63-R65 PolarHBondContact O-N 2.92Å; E63-R65 VanDerWaalsContact O-N 3.13Å; E63-R65 IonicContact OE1-NH2 2.63Å; E63-R65 PolarHBondContact OE1-NH2 3.34Å; E63-R65 IonicContact OE2-CZ 2.89Å; E63-R65 IonicContact OE2-NE 2.77Å; E63-R65 PolarHBondContact OE2-NE 3.25Å; E63-R65 IonicContact OE2-NH2 3.06Å; E63-R65 PolarHBondContact OE2-NH2 3.17Å; E63-E66 HydrophobicContact CB-CG 4.22Å; E63-E66 PolarHBondContact N-OE2 3.28Å; E63-E66 WeakPolarHBondContact O-CB 3.44Å; E63-E66 PolarHBondContact O-N 3.3Å
64	K	83.4	Confident	89.4	Confident	182 Å²	182	60.4 Å²	60.4	79%	0.791	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-57.9	-31.6	-178	-70.2	-176	-179.9	178.3	0	113.5	E66 K67	K64-E66 PolarHBondContact O-N 2.83Å; K64-K67 PolarHBondContact O-N 3.35Å
65	R	81.5	Confident	89.4	Confident	206 Å²	206	58.6 Å²	58.6	78%	0.777	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-69.6	-13.4	178.2	66.5	170.9	170.7	176.8	-8.3	114.5	E63	E63-R65 HydrophobicContact CB-CG 4.23Å; E63-R65 PolarHBondContact O-N 2.92Å; E63-R65 VanDerWaalsContact O-N 3.13Å; E63-R65 IonicContact OE1-NH2 2.63Å; E63-R65 PolarHBondContact OE1-NH2 3.34Å; E63-R65 IonicContact OE2-CZ 2.89Å; E63-R65 IonicContact OE2-NE 2.77Å; E63-R65 PolarHBondContact OE2-NE 3.25Å; E63-R65 IonicContact OE2-NH2 3.06Å; E63-R65 PolarHBondContact OE2-NH2 3.17Å
66	E	80.6	Confident	89.2	Confident	47 Å²	47	60.3 Å²	60.3	22%	0.22	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-84.6	-16.3	178.4	-62.9	174.4	163	0	0	112.5	P35 Q59 N62 E63 K64 V68	P35-E66 HydrophobicContact CG-CB 3.78Å; P35-E66 HydrophobicContact CG-CG 4.31Å; P35-E66 WeakPolarHBondContact CG-O 3.48Å; Q59-E66 PolarHBondContact NE2-O 2.63Å; N62-E66 WeakPolarHBondContact CA-OE2 3.3Å; N62-E66 PolarHBondContact N-OE2 2.86Å; E63-E66 HydrophobicContact CB-CG 4.22Å; E63-E66 PolarHBondContact N-OE2 3.28Å; E63-E66 WeakPolarHBondContact O-CB 3.44Å; E63-E66 PolarHBondContact O-N 3.3Å; K64-E66 PolarHBondContact O-N 2.83Å; E66-V68 PolarHBondContact O-N 3.31Å
67	K	88.2	Confident	89	Confident	74 Å²	74	63.3 Å²	63.3	32%	0.322	30%	0.303	S	S	.	.			trans	-59.4	134	-179.3	-69.6	-165.3	173.4	-157.9	0	111	Y61 K64 Y77	Y61-K67 HydrophobicContact CD2-CG 4.21Å; Y61-K67 VanDerWaalsContact CE1-CE 3.5Å; Y61-K67 HydrophobicContact CG-CG 4.22Å; Y61-K67 WeakPolarHBondContact OH-CE 3.17Å; Y61-K67 PolarHBondContact OH-NZ 3.15Å; K64-K67 PolarHBondContact O-N 3.35Å; K67-Y77 HydrophobicContact CB-CE1 4.02Å; K67-Y77 HydrophobicContact CD-CD1 3.75Å; K67-Y77 HydrophobicContact CD-CE1 3.78Å; K67-Y77 HydrophobicContact CD-CG 4.19Å; K67-Y77 HydrophobicContact CG-CD1 3.98Å; K67-Y77 HydrophobicContact CG-CE1 3.9Å
68	V	87.4	Confident	88.9	Confident	12 Å²	12	63.3 Å²	63.3	7%	0.073	30%	0.303	C	S	.	.			trans	-107	142.5	170.3	-173.7	0	0	0	0	106.6	P35 V38 K39 I42 Q59 E66 F75 Y77	P35-V68 HydrophobicContact CB-CG2 4.19Å; V38-V68 HydrophobicContact CB-CG2 4.37Å; V38-V68 HydrophobicContact CG1-CB 3.8Å; V38-V68 HydrophobicContact CG1-CG1 4.17Å; V38-V68 HydrophobicContact CG1-CG2 3.94Å; K39-V68 HydrophobicContact CD-CG2 4.47Å; K39-V68 HydrophobicContact CG-CG1 4.02Å; K39-V68 HydrophobicContact CG-CG2 4.06Å; I42-V68 HydrophobicContact CD1-CG1 3.77Å; Q59-V68 PolarHBondContact OE1-O 3.41Å; E66-V68 PolarHBondContact O-N 3.31Å; V68-F75 HydrophobicContact CB-CE1 4.15Å; V68-F75 HydrophobicContact CB-CZ 4.5Å; V68-F75 HydrophobicContact CG1-CE1 4.45Å; V68-F75 HydrophobicContact CG1-CZ 4.31Å; V68-F75 VanDerWaalsContact O-CD1 3.32Å; V68-F75 WeakPolarHBondContact O-CD1 3.28Å; V68-F75 VanDerWaalsContact O-CE1 3.29Å; V68-F75 WeakPolarHBondContact O-CE1 3.3Å; V68-Y77 PolarHBondContact O-OH 2.83Å
69	T	89.1	Confident	88.6	Confident	105 Å²	105	66 Å²	66	64%	0.644	32%	0.317	S	S	*	.			trans	-127.9	150.9	178.9	48.9	0	0	0	0	108.5	Y77	T69-Y77 WeakPolarHBondContact CG2-OH 3.49Å
70	H	90	Very high	88.3	Confident	54 Å²	54	66.6 Å²	66.6	25%	0.25	32%	0.32	C	S	.	.			trans	-150.3	140	172.1	-154.3	-95.8	0	0	0	108.8	E46 S72 I73 F75	E46-H70 IonicContact OE1-CE1 3.15Å; E46-H70 PolarHBondContact OE1-CE1 2.94Å; E46-H70 VanDerWaalsContact OE1-CE1 3.26Å; E46-H70 IonicContact OE1-NE2 2.64Å; E46-H70 PolarHBondContact OE1-NE2 3.46Å; H70-S72 VanDerWaalsContact C-N 3.32Å; H70-S72 PolarHBondContact O-N 3.46Å; H70-I73 HydrophobicContact CB-CB 4.2Å; H70-I73 HydrophobicContact CB-CD1 4.14Å; H70-I73 HydrophobicContact CB-CG1 4.38Å; H70-F75 HydrophobicContact CB-CE2 3.62Å; H70-F75 HydrophobicContact CB-CZ 4.25Å
71	D	88.6	Confident	87.3	Confident	167 Å²	167	70.4 Å²	70.4	89%	0.893	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-31.3	-168.1	-57.6	-25.6	0	0	0	112.8
72	S	89.1	Confident	86	Confident	78 Å²	78	72.6 Å²	72.6	55%	0.545	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	5.5	-175.2	-38.1	0	0	0	0	115.1	H70	H70-S72 VanDerWaalsContact C-N 3.32Å; H70-S72 PolarHBondContact O-N 3.46Å
73	I	93.1	Very high	85	Confident	9 Å²	9	72.7 Å²	72.7	5%	0.046	38%	0.379	C	S	.	.	S	Bend	trans	-122.8	130.7	-177.1	-59.2	167.5	0	0	0	109.3	I42 A45 E46 V49 I55 L57 H70 F75	I42-I73 HydrophobicContact CG2-CD1 4.27Å; A45-I73 HydrophobicContact CB-CD1 3.66Å; A45-I73 HydrophobicContact CB-CG1 4.4Å; E46-I73 HydrophobicContact CG-CD1 4.39Å; V49-I73 HydrophobicContact CG2-CG1 4.35Å; I55-I73 HydrophobicContact CG2-CG2 4.24Å; L57-I73 HydrophobicContact CB-CG2 3.96Å; H70-I73 HydrophobicContact CB-CB 4.2Å; H70-I73 HydrophobicContact CB-CD1 4.14Å; H70-I73 HydrophobicContact CB-CG1 4.38Å; I73-F75 HydrophobicContact CB-CE2 4.09Å; I73-F75 HydrophobicContact CG2-CD2 4.43Å; I73-F75 HydrophobicContact CG2-CE2 4.12Å; I73-F75 WeakPolarHBondContact O-CD2 3.41Å; I73-F75 PolarHBondContact O-N 2.98Å
74	Q	93.1	Very high	84.3	Confident	112 Å²	112	72 Å²	72	52%	0.523	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	106	179	-175	178	-2	0	0	111	I55 S56 L57	I55-Q74 PolarHBondContact O-N 3Å; S56-Q74 CarbonylContact C-O 3.58Å; S56-Q74 VanDerWaalsContact CA-O 3.3Å; S56-Q74 WeakPolarHBondContact CA-O 3.11Å; L57-Q74 PolarHBondContact N-O 3.45Å
75	F	93.6	Very high	83.6	Confident	28 Å²	28	64.9 Å²	64.9	12%	0.123	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	132.8	175.2	-78.6	-102.5	0	0	0	112.2	V38 L57 Q59 V68 H70 I73 Y77	V38-F75 HydrophobicContact CG1-CE1 3.86Å; V38-F75 HydrophobicContact CG1-CZ 4.5Å; L57-F75 HydrophobicContact CD2-CD1 4.01Å; L57-F75 HydrophobicContact CD2-CE1 3.74Å; L57-F75 HydrophobicContact CD2-CZ 4.48Å; L57-F75 WeakPolarHBondContact O-CA 3.31Å; Q59-F75 HydrophobicContact CB-CD1 4.2Å; V68-F75 HydrophobicContact CB-CE1 4.15Å; V68-F75 HydrophobicContact CB-CZ 4.5Å; V68-F75 HydrophobicContact CG1-CE1 4.45Å; V68-F75 HydrophobicContact CG1-CZ 4.31Å; V68-F75 VanDerWaalsContact O-CD1 3.32Å; V68-F75 WeakPolarHBondContact O-CD1 3.28Å; V68-F75 VanDerWaalsContact O-CE1 3.29Å; V68-F75 WeakPolarHBondContact O-CE1 3.3Å; H70-F75 HydrophobicContact CB-CE2 3.62Å; H70-F75 HydrophobicContact CB-CZ 4.25Å; I73-F75 HydrophobicContact CB-CE2 4.09Å; I73-F75 HydrophobicContact CG2-CD2 4.43Å; I73-F75 HydrophobicContact CG2-CE2 4.12Å; I73-F75 WeakPolarHBondContact O-CD2 3.41Å; I73-F75 PolarHBondContact O-N 2.98Å; F75-Y77 HydrophobicContact CB-CD2 4.35Å; F75-Y77 HydrophobicContact CB-CE1 4.02Å; F75-Y77 HydrophobicContact CB-CE2 3.67Å; F75-Y77 VanDerWaalsContact CB-CZ 3.46Å; F75-Y77 WeakPolarHBondContact CB-OH 3.47Å; F75-Y77 HydrophobicContact CD1-CE1 4.05Å; F75-Y77 HydrophobicContact CG-CE1 4.34Å; F75-Y77 AromaticContact CG-CZ 3.97Å
76	I	91	Very high	83	Confident	39 Å²	39	56.8 Å²	56.8	20%	0.2	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	109.3	170.5	-51.4	174	0	0	0	108.2	L27 L57 V58 Q59 F128	L27-I76 HydrophobicContact CD1-CD1 4.41Å; L57-I76 PolarHBondContact O-N 3.3Å; V58-I76 CarbonylContact C-O 3.5Å; V58-I76 WeakPolarHBondContact CA-O 3.39Å; Q59-I76 PolarHBondContact N-O 3.05Å; I76-F128 HydrophobicContact CB-CE2 4.37Å; I76-F128 HydrophobicContact CD1-CE2 4.06Å; I76-F128 HydrophobicContact CG2-CD2 3.63Å; I76-F128 HydrophobicContact CG2-CE2 3.54Å; I76-F128 HydrophobicContact CG2-CG 4.43Å; I76-F128 HydrophobicContact CG2-CZ 4.28Å
77	Y	91.3	Very high	82.6	Confident	66 Å²	66	56.9 Å²	56.9	26%	0.259	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.7	-173	-65.9	-68.8	0	0	0	111.9	Q59 Y61 K67 V68 T69 F75	Q59-Y77 HydrophobicContact CB-CD1 4.12Å; Q59-Y77 HydrophobicContact CB-CE1 4.3Å; Q59-Y77 WeakPolarHBondContact O-CA 3.46Å; Y61-Y77 HydrophobicContact CD1-CD1 4.42Å; K67-Y77 HydrophobicContact CB-CE1 4.02Å; K67-Y77 HydrophobicContact CD-CD1 3.75Å; K67-Y77 HydrophobicContact CD-CE1 3.78Å; K67-Y77 HydrophobicContact CD-CG 4.19Å; K67-Y77 HydrophobicContact CG-CD1 3.98Å; K67-Y77 HydrophobicContact CG-CE1 3.9Å; V68-Y77 PolarHBondContact O-OH 2.83Å; T69-Y77 WeakPolarHBondContact CG2-OH 3.49Å; F75-Y77 HydrophobicContact CB-CD2 4.35Å; F75-Y77 HydrophobicContact CB-CE1 4.02Å; F75-Y77 HydrophobicContact CB-CE2 3.67Å; F75-Y77 VanDerWaalsContact CB-CZ 3.46Å; F75-Y77 WeakPolarHBondContact CB-OH 3.47Å; F75-Y77 HydrophobicContact CD1-CE1 4.05Å; F75-Y77 HydrophobicContact CG-CE1 4.34Å; F75-Y77 AromaticContact CG-CZ 3.97Å
78	V	90.3	Very high	81.7	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.006	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.9	176.8	-174.4	0	0	0	0	109.7	V58 Q59 Y60 Y61 F128	V58-V78 HydrophobicContact CG1-CG2 3.92Å; Q59-V78 PolarHBondContact O-N 3.06Å; Y60-V78 WeakPolarHBondContact CA-O 3.49Å; Y60-V78 HydrophobicContact CD1-CB 3.65Å; Y60-V78 HydrophobicContact CD1-CG1 3.76Å; Y60-V78 HydrophobicContact CD1-CG2 4.39Å; Y60-V78 HydrophobicContact CE1-CB 3.74Å; Y60-V78 HydrophobicContact CE1-CG1 3.65Å; Y60-V78 HydrophobicContact CE1-CG2 4.07Å; Y60-V78 HydrophobicContact CG-CB 4.43Å; Y61-V78 WeakPolarHBondContact CD1-O 3.39Å; Y61-V78 WeakPolarHBondContact CE1-O 3.26Å; Y61-V78 PolarHBondContact N-O 2.63Å; V78-F128 HydrophobicContact CG2-CD1 3.94Å; V78-F128 HydrophobicContact CG2-CE1 3.74Å; V78-F128 HydrophobicContact CG2-CZ 4.33Å
79	L	88.4	Confident	81	Confident	55 Å²	55	68.4 Å²	68.4	29%	0.288	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	125.8	-179.7	-179	68.7	0	0	0	109.7	Y61 S81 H125	Y61-L79 HydrophobicContact CD2-CD1 4.05Å; Y61-L79 HydrophobicContact CE1-CB 4.23Å; Y61-L79 HydrophobicContact CE2-CD1 3.55Å; Y61-L79 WeakPolarHBondContact O-CA 3.31Å; L79-S81 WeakPolarHBondContact CD2-OG 3.42Å; L79-S81 WeakPolarHBondContact CG-OG 3.3Å; L79-H125 PolarHBondContact N-NE2 2.9Å
80	I	85.9	Confident	80.2	Confident	14 Å²	14	63.8 Å²	63.8	7%	0.072	35%	0.354	C	S	.	.			trans	-111.1	46.9	-179.8	53.1	163.1	0	0	0	112.2	M32 Y60 Y61 N62 G82 M83 A115	M32-I80 HydrophobicContact CE-CG2 3.95Å; Y60-I80 HydrophobicContact CD1-CG2 3.78Å; Y61-I80 VanDerWaalsContact O-CG1 3.26Å; Y61-I80 WeakPolarHBondContact O-CG1 3.33Å; Y61-I80 PolarHBondContact O-N 2.69Å; N62-I80 PolarHBondContact OD1-O 3.24Å; I80-G82 PolarHBondContact O-N 3.34Å; I80-G82 VanDerWaalsContact O-N 3.15Å; I80-M83 PolarHBondContact O-N 3.05Å; I80-A115 HydrophobicContact CB-CB 4.07Å; I80-A115 HydrophobicContact CD1-CB 4.49Å; I80-A115 HydrophobicContact CG2-CB 4.02Å
81	S	71.2	Confident	79.3	Confident	83 Å²	83	63.8 Å²	63.8	58%	0.58	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-28.4	105.5	-171.5	-58.8	0	0	0	0	116.3	L79	L79-S81 WeakPolarHBondContact CD2-OG 3.42Å; L79-S81 WeakPolarHBondContact CG-OG 3.3Å
82	G	61.4	Low	78.4	Confident	75 Å²	75	57.9 Å²	57.9	77%	0.773	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	13.8	161	0	0	0	0	0	116.1	N62 I80	N62-G82 PolarHBondContact OD1-N 2.86Å; I80-G82 PolarHBondContact O-N 3.34Å; I80-G82 VanDerWaalsContact O-N 3.15Å
83	M	64.2	Low	77.7	Confident	32 Å²	32	56.5 Å²	56.5	16%	0.158	32%	0.317	C	S	.	.			trans	-115.1	84.8	174.8	-64.5	-165.6	75.1	0	0	110.5	N62 I80 L85 T114 R118	N62-M83 PolarHBondContact ND2-O 3.12Å; N62-M83 VanDerWaalsContact ND2-O 3.08Å; N62-M83 PolarHBondContact OD1-N 3.5Å; N62-M83 PolarHBondContact OD1-O 3.15Å; I80-M83 PolarHBondContact O-N 3.05Å; M83-L85 PolarHBondContact O-N 2.88Å; M83-T114 HydrophobicContact CE-CG2 3.9Å; M83-T114 HydrophobicContact SD-CG2 3.62Å; M83-R118 PolarHBondContact SD-NH1 3.3Å; M83-R118 VanDerWaalsContact SD-NH1 3.44Å
84	S	68.8	Low	76.8	Confident	73 Å²	73	56.3 Å²	56.3	51%	0.51	32%	0.316	S	S	.	.			trans	-57.7	138.9	161.7	-177.2	0	0	0	0	109.4	M86	S84-M86 WeakPolarHBondContact CB-O 3.31Å; S84-M86 PolarHBondContact O-N 2.87Å; S84-M86 PolarHBondContact OG-N 2.96Å; S84-M86 PolarHBondContact OG-O 3.22Å
85	L	67.9	Low	75.7	Confident	33 Å²	33	53.6 Å²	53.6	17%	0.173	30%	0.301	C	S	.	.	S	Bend	trans	-61.7	-26.3	170.8	-70.4	167	0	0	0	111.9	M32 A34 M83 S108 A112	M32-L85 WeakPolarHBondContact O-CD1 3.48Å; A34-L85 HydrophobicContact CB-CD1 4.49Å; M83-L85 PolarHBondContact O-N 2.88Å; L85-S108 WeakPolarHBondContact O-CA 3.45Å; L85-S108 VanDerWaalsContact O-CB 3.24Å; L85-S108 WeakPolarHBondContact O-CB 3.46Å; L85-S108 PolarHBondContact O-OG 3.44Å; L85-A112 HydrophobicContact CD2-CB 4.16Å
86	M	70.4	Confident	74.8	Confident	36 Å²	36	61.3 Å²	61.3	18%	0.177	33%	0.329	C	S	.	.	S	Bend	trans	-141.8	126.8	-174.2	-152.8	140.1	64	0	0	109.6	S84 D90 E91 I94 F362	S84-M86 WeakPolarHBondContact CB-O 3.31Å; S84-M86 PolarHBondContact O-N 2.87Å; S84-M86 PolarHBondContact OG-N 2.96Å; S84-M86 PolarHBondContact OG-O 3.22Å; M86-D90 HydrophobicContact CG-CB 3.76Å; M86-E91 HydrophobicContact CE-CG 4.35Å; M86-E91 HydrophobicContact CG-CG 4.11Å; M86-I94 HydrophobicContact CE-CD1 3.91Å; M86-I94 HydrophobicContact CG-CD1 4.48Å; M86-I94 HydrophobicContact SD-CD1 3.4Å; M86-I94 WeakPolarHBondContact SD-CD1 3.32Å; M86-F362 HydrophobicContact CE-CE2 4.3Å; M86-F362 HydrophobicContact CE-CZ 4.05Å
87	S	71.3	Confident	73.9	Confident	48 Å²	48	61.5 Å²	61.5	34%	0.336	33%	0.333	S	S	.	.			trans	-82.9	156.8	175.2	72.1	0	0	0	0	110.9	K89 D90 E91	S87-K89 PolarHBondContact O-N 2.68Å; S87-K89 VanDerWaalsContact O-N 3.12Å; S87-D90 WeakPolarHBondContact CB-OD2 3.43Å; S87-D90 PolarHBondContact N-OD2 2.75Å; S87-D90 CarbonylContact O-C 3.6Å; S87-D90 WeakPolarHBondContact O-CA 3.23Å; S87-D90 WeakPolarHBondContact O-CB 3.49Å; S87-D90 PolarHBondContact O-N 3.43Å; S87-D90 VanDerWaalsContact OG-CG 3.22Å; S87-D90 PolarHBondContact OG-N 3.11Å; S87-D90 PolarHBondContact OG-OD2 3.35Å; S87-E91 PolarHBondContact O-N 3.08Å
88	E	69.7	Low	72.9	Confident	168 Å²	168	62.6 Å²	62.6	79%	0.785	34%	0.339	S	S	*	.	H	α-helix	trans	-53.8	-32.7	173.5	-171.7	178.7	-165.2	0	0	112.2	E91 A92	E88-E91 PolarHBondContact O-N 3.13Å; E88-A92 WeakPolarHBondContact O-CB 3.15Å; E88-A92 PolarHBondContact O-N 2.87Å
89	K	73.6	Confident	71.8	Confident	160 Å²	160	63.1 Å²	63.1	70%	0.696	34%	0.344	S	S	*	.	H	α-helix	trans	-67.5	-36.6	172.6	-175.4	175.1	-178.4	174.8	0	112.8	S87 T93	S87-K89 PolarHBondContact O-N 2.68Å; S87-K89 VanDerWaalsContact O-N 3.12Å; K89-T93 WeakPolarHBondContact O-CB 3.2Å; K89-T93 PolarHBondContact O-N 2.96Å; K89-T93 PolarHBondContact O-OG1 3.25Å
90	D	71.1	Confident	70.7	Confident	8 Å²	8	61.4 Å²	61.4	4%	0.043	34%	0.335	C	S	.	.	H	α-helix	trans	-71.1	-39.6	175.3	-63.1	-52.2	0	0	0	111	M86 S87 T93 I94 P104 K107	M86-D90 HydrophobicContact CG-CB 3.76Å; S87-D90 WeakPolarHBondContact CB-OD2 3.43Å; S87-D90 PolarHBondContact N-OD2 2.75Å; S87-D90 CarbonylContact O-C 3.6Å; S87-D90 WeakPolarHBondContact O-CA 3.23Å; S87-D90 WeakPolarHBondContact O-CB 3.49Å; S87-D90 PolarHBondContact O-N 3.43Å; S87-D90 VanDerWaalsContact OG-CG 3.22Å; S87-D90 PolarHBondContact OG-N 3.11Å; S87-D90 PolarHBondContact OG-OD2 3.35Å; D90-T93 WeakPolarHBondContact O-CB 3.1Å; D90-T93 PolarHBondContact O-N 3.25Å; D90-I94 WeakPolarHBondContact O-CG1 3.41Å; D90-I94 PolarHBondContact O-N 3.16Å; D90-P104 HydrophobicContact CB-CB 4.06Å; D90-P104 HydrophobicContact CB-CG 4.1Å; D90-K107 WeakPolarHBondContact OD1-CD 3.49Å; D90-K107 IonicContact OD1-NZ 3.95Å; D90-K107 PolarHBondContact OD1-NZ 2.92Å; D90-K107 WeakPolarHBondContact OD2-CD 3.14Å; D90-K107 IonicContact OD2-NZ 2.76Å; D90-K107 PolarHBondContact OD2-NZ 2.98Å
91	E	70.4	Confident	69.9	Low	55 Å²	55	62.8 Å²	62.8	26%	0.257	34%	0.343	S	S	.	.	H	α-helix	trans	-60.2	-49.3	172.2	-64.7	-174.2	163.1	0	0	111.6	M86 S87 E88 T93 I94 W95	M86-E91 HydrophobicContact CE-CG 4.35Å; M86-E91 HydrophobicContact CG-CG 4.11Å; S87-E91 PolarHBondContact O-N 3.08Å; E88-E91 PolarHBondContact O-N 3.13Å; E91-T93 PolarHBondContact O-N 3.42Å; E91-I94 WeakPolarHBondContact O-CB 3.34Å; E91-I94 PolarHBondContact O-N 3.36Å; E91-I94 VanDerWaalsContact O-N 3.13Å; E91-W95 PolarHBondContact O-N 2.86Å
92	A	70.8	Confident	70	Confident	43 Å²	43	62.4 Å²	62.4	36%	0.355	33%	0.328	S	S	.	.	H	α-helix	trans	-60.3	-31.1	174.6	0	0	0	0	0	113	E88 R96	E88-A92 WeakPolarHBondContact O-CB 3.15Å; E88-A92 PolarHBondContact O-N 2.87Å; A92-R96 WeakPolarHBondContact O-CG 3.32Å; A92-R96 PolarHBondContact O-N 3.41Å
93	T	74.9	Confident	70.8	Confident	48 Å²	48	60.3 Å²	60.3	29%	0.294	31%	0.307	S	S	.	.	H	α-helix	trans	-72.4	-39.2	175.7	-57.3	0	0	0	0	111.5	K89 D90 E91 W95 R96 T97 N101	K89-T93 WeakPolarHBondContact O-CB 3.2Å; K89-T93 PolarHBondContact O-N 2.96Å; K89-T93 PolarHBondContact O-OG1 3.25Å; D90-T93 WeakPolarHBondContact O-CB 3.1Å; D90-T93 PolarHBondContact O-N 3.25Å; E91-T93 PolarHBondContact O-N 3.42Å; T93-W95 VanDerWaalsContact C-N 3.33Å; T93-W95 PolarHBondContact O-N 3.41Å; T93-R96 PolarHBondContact O-N 3.27Å; T93-T97 HydrophobicContact CG2-CG2 4.2Å; T93-T97 WeakPolarHBondContact O-CB 3.46Å; T93-T97 PolarHBondContact O-N 3.29Å; T93-T97 VanDerWaalsContact O-N 3.15Å; T93-T97 PolarHBondContact O-OG1 2.77Å; T93-N101 WeakPolarHBondContact CG2-ND2 3.44Å
94	I	72.8	Confident	71.3	Confident	6 Å²	6	59.1 Å²	59.1	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-56.5	-45.6	174.9	-80.7	164.7	0	0	0	111.1	M86 D90 E91 R96 L361 F362 K383	M86-I94 HydrophobicContact CE-CD1 3.91Å; M86-I94 HydrophobicContact CG-CD1 4.48Å; M86-I94 HydrophobicContact SD-CD1 3.4Å; M86-I94 WeakPolarHBondContact SD-CD1 3.32Å; D90-I94 WeakPolarHBondContact O-CG1 3.41Å; D90-I94 PolarHBondContact O-N 3.16Å; E91-I94 WeakPolarHBondContact O-CB 3.34Å; E91-I94 PolarHBondContact O-N 3.36Å; E91-I94 VanDerWaalsContact O-N 3.13Å; I94-R96 PolarHBondContact O-N 2.96Å; I94-L361 HydrophobicContact CG2-CB 4.1Å; I94-F362 HydrophobicContact CD1-CB 4.3Å; I94-F362 HydrophobicContact CD1-CD1 4.03Å; I94-F362 HydrophobicContact CD1-CD2 4.06Å; I94-F362 HydrophobicContact CD1-CE1 4.41Å; I94-F362 HydrophobicContact CD1-CE2 4.44Å; I94-F362 HydrophobicContact CD1-CG 3.88Å; I94-F362 HydrophobicContact CG1-CB 4.06Å; I94-F362 HydrophobicContact CG1-CD1 4.42Å; I94-F362 HydrophobicContact CG1-CG 4.18Å; I94-F362 HydrophobicContact CG2-CB 3.94Å; I94-F362 HydrophobicContact CG2-CD1 3.52Å; I94-F362 HydrophobicContact CG2-CE1 4.35Å; I94-F362 HydrophobicContact CG2-CG 3.98Å; I94-K383 WeakPolarHBondContact O-CE 3.46Å; I94-K383 PolarHBondContact O-NZ 3.02Å; I94-K383 VanDerWaalsContact O-NZ 3.13Å
95	W	71.3	Confident	71.6	Confident	54 Å²	54	56.1 Å²	56.1	21%	0.205	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-39.7	178.4	-76.6	104.9	0	0	0	113.6	E91 T93 L281 E284 L361 K383	E91-W95 PolarHBondContact O-N 2.86Å; T93-W95 VanDerWaalsContact C-N 3.33Å; T93-W95 PolarHBondContact O-N 3.41Å; W95-L281 HydrophobicContact CH2-CD2 3.57Å; W95-L281 HydrophobicContact CZ2-CD2 3.62Å; W95-E284 WeakPolarHBondContact CB-OE2 3.4Å; W95-L361 HydrophobicContact CE3-CD2 3.93Å; W95-L361 HydrophobicContact CH2-CD1 3.69Å; W95-L361 HydrophobicContact CH2-CD2 3.46Å; W95-L361 VanDerWaalsContact CH2-CD2 3.46Å; W95-L361 HydrophobicContact CH2-CG 4.23Å; W95-L361 HydrophobicContact CZ2-CD1 3.66Å; W95-L361 HydrophobicContact CZ2-CD2 4.11Å; W95-L361 HydrophobicContact CZ3-CD1 4.43Å; W95-L361 HydrophobicContact CZ3-CD2 3.36Å; W95-K383 HydrophobicContact CE3-CD 4.37Å; W95-K383 WeakPolarHBondContact O-CE 3.4Å
96	R	74.7	Confident	72.1	Confident	190 Å²	190	56.9 Å²	56.9	72%	0.717	28%	0.282	S	S	*	.	H	α-helix	trans	-86.1	-9.1	-174.9	-65	177.3	-176.2	177.4	2.7	115.1	A92 T93 I94	A92-R96 WeakPolarHBondContact O-CG 3.32Å; A92-R96 PolarHBondContact O-N 3.41Å; T93-R96 PolarHBondContact O-N 3.27Å; I94-R96 PolarHBondContact O-N 2.96Å
97	T	72.2	Confident	72.6	Confident	44 Å²	44	60 Å²	60	27%	0.27	29%	0.294	S	S	.	.			trans	-120.6	143.3	-174.1	57.2	0	0	0	0	112.3	T93 N101 K383	T93-T97 HydrophobicContact CG2-CG2 4.2Å; T93-T97 WeakPolarHBondContact O-CB 3.46Å; T93-T97 PolarHBondContact O-N 3.29Å; T93-T97 VanDerWaalsContact O-N 3.15Å; T93-T97 PolarHBondContact O-OG1 2.77Å; T97-N101 PolarHBondContact OG1-ND2 3.37Å; T97-K383 PolarHBondContact O-NZ 3.37Å
98	K	70.2	Confident	73	Confident	89 Å²	89	58 Å²	58	39%	0.387	28%	0.28	S	S	.	.			trans	-91.2	150.4	173.3	-169.9	180	-169.5	168.5	0	110.5	D193 D382 T384	K98-D193 VanDerWaalsContact CE-OD1 3.32Å; K98-D193 WeakPolarHBondContact CE-OD1 3.42Å; K98-D193 WeakPolarHBondContact CE-OD2 3.12Å; K98-D193 IonicContact NZ-OD1 3.9Å; K98-D193 IonicContact NZ-OD2 3.95Å; K98-D193 PolarHBondContact NZ-OD2 3.01Å; K98-D382 WeakPolarHBondContact CD-OD1 3.43Å; K98-D382 WeakPolarHBondContact CD-OD2 3.35Å; K98-D382 VanDerWaalsContact CE-OD2 3.32Å; K98-D382 WeakPolarHBondContact CE-OD2 3.49Å; K98-D382 VanDerWaalsContact NZ-CG 3.27Å; K98-D382 IonicContact NZ-OD1 3.51Å; K98-D382 IonicContact NZ-OD2 3.56Å; K98-D382 PolarHBondContact NZ-OD2 2.72Å; K98-T384 HydrophobicContact CB-CG2 4.22Å
99	G	66	Low	73.5	Confident	12 Å²	12	50.3 Å²	50.3	12%	0.124	25%	0.245	C	C	.	.	S	Bend	trans	93.3	-179	173.1	0	0	0	0	0	114	N101 I366	G99-N101 PolarHBondContact O-N 3.12Å; G99-I366 VanDerWaalsContact C-CD1 3.41Å
100	L	65.3	Low	74	Confident	19 Å²	19	47.7 Å²	47.7	10%	0.099	23%	0.231	C	C	.	.			trans	-71.5	91.4	170	-175	75.2	0	0	0	109.4	R102 F105 M190 F216 G363	L100-R102 HydrophobicContact CD2-CG 4.36Å; L100-R102 PolarHBondContact O-N 3.36Å; L100-F105 HydrophobicContact CD1-CD2 4.06Å; L100-F105 HydrophobicContact CD1-CE2 3.48Å; L100-F105 VanDerWaalsContact CD1-CE2 3.48Å; L100-F105 HydrophobicContact CD1-CZ 3.91Å; L100-F105 HydrophobicContact CG-CE2 4.34Å; L100-M190 HydrophobicContact CD1-CE 4.15Å; L100-M190 HydrophobicContact CD2-SD 4.37Å; L100-F216 HydrophobicContact CD2-CE1 4.35Å; L100-G363 VanDerWaalsContact CD1-CA 3.48Å
101	N	69	Low	74.7	Confident	42 Å²	42	48.2 Å²	48.2	23%	0.225	24%	0.235	C	C	.	.			trans	-72.6	92.4	178.2	-162.7	-27.3	0	0	0	110.5	T93 T97 G99 G103 P104 F105	T93-N101 WeakPolarHBondContact CG2-ND2 3.44Å; T97-N101 PolarHBondContact OG1-ND2 3.37Å; G99-N101 PolarHBondContact O-N 3.12Å; N101-G103 PolarHBondContact O-N 3.3Å; N101-G103 VanDerWaalsContact O-N 3.16Å; N101-P104 WeakPolarHBondContact O-CD 3.41Å; N101-P104 WeakPolarHBondContact OD1-CD 3.37Å; N101-F105 WeakPolarHBondContact O-CD2 3.48Å
102	R	74.1	Confident	75.5	Confident	75 Å²	75	45.7 Å²	45.7	28%	0.283	22%	0.223	S	C	.	.	H	α-helix	trans	-59.6	-25.3	-172.7	-67.8	-178.7	176.7	117.1	4.8	114.1	L100 F105 F106 A212 F216	L100-R102 HydrophobicContact CD2-CG 4.36Å; L100-R102 PolarHBondContact O-N 3.36Å; R102-F105 PolarHBondContact O-N 3.02Å; R102-F106 HydrophobicContact CB-CD2 4.43Å; R102-F106 HydrophobicContact CB-CE2 4.17Å; R102-F106 VanDerWaalsContact O-CD2 3.28Å; R102-F106 WeakPolarHBondContact O-CD2 3.4Å; R102-F106 WeakPolarHBondContact O-CG 3.36Å; R102-F106 PolarHBondContact O-N 2.74Å; R102-A212 VanDerWaalsContact NH2-CB 3.28Å; R102-F216 HydrophobicContact CB-CD2 3.78Å; R102-F216 HydrophobicContact CB-CE2 3.67Å; R102-F216 HydrophobicContact CG-CD2 3.63Å; R102-F216 HydrophobicContact CG-CE2 3.77Å; R102-F216 HydrophobicContact CG-CG 4.19Å; R102-F216 HydrophobicContact CG-CZ 4.36Å
103	G	77.6	Confident	76.2	Confident	32 Å²	32	43.7 Å²	43.7	33%	0.33	21%	0.207	S	C	.	.	H	α-helix	trans	-59.2	-61.1	-178.3	0	0	0	0	0	113.6	N101 F105 F106 K107	N101-G103 PolarHBondContact O-N 3.3Å; N101-G103 VanDerWaalsContact O-N 3.16Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 3.04Å; G103-F106 PolarHBondContact O-N 3.21Å; G103-K107 PolarHBondContact O-N 2.73Å
104	P	75.2	Confident	76.7	Confident	6 Å²	6	42 Å²	42	4%	0.039	20%	0.197	C	C	.	.	H	α-helix	trans	-45.7	-49.4	169.2	-34.9	37.5	0	0	0	114.1	D90 N101 F106 K107 S108	D90-P104 HydrophobicContact CB-CB 4.06Å; D90-P104 HydrophobicContact CB-CG 4.1Å; N101-P104 WeakPolarHBondContact O-CD 3.41Å; N101-P104 WeakPolarHBondContact OD1-CD 3.37Å; P104-F106 PolarHBondContact O-N 2.74Å; P104-K107 WeakPolarHBondContact O-CB 3.35Å; P104-K107 PolarHBondContact O-N 2.89Å; P104-K107 VanDerWaalsContact O-N 3.11Å; P104-S108 PolarHBondContact O-N 3.39Å; P104-S108 PolarHBondContact O-OG 2.91Å; P104-S108 VanDerWaalsContact O-OG 3.11Å
105	F	74.7	Confident	77.4	Confident	11 Å²	11	42 Å²	42	5%	0.048	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-38.3	-179.7	-76	-82.6	0	0	0	113.8	L100 N101 R102 G103 K107 S108 S109 F146 M170 F216 F362	L100-F105 HydrophobicContact CD1-CD2 4.06Å; L100-F105 HydrophobicContact CD1-CE2 3.48Å; L100-F105 VanDerWaalsContact CD1-CE2 3.48Å; L100-F105 HydrophobicContact CD1-CZ 3.91Å; L100-F105 HydrophobicContact CG-CE2 4.34Å; N101-F105 WeakPolarHBondContact O-CD2 3.48Å; R102-F105 PolarHBondContact O-N 3.02Å; G103-F105 VanDerWaalsContact C-N 3.32Å; G103-F105 PolarHBondContact O-N 3.04Å; F105-K107 VanDerWaalsContact C-N 3.28Å; F105-K107 PolarHBondContact O-N 2.82Å; F105-S108 PolarHBondContact O-N 2.94Å; F105-S109 WeakPolarHBondContact O-CB 3.5Å; F105-S109 PolarHBondContact O-N 3.41Å; F105-F146 HydrophobicContact CD1-CZ 4.13Å; F105-M170 HydrophobicContact CD1-SD 3.85Å; F105-M170 HydrophobicContact CE1-CE 3.91Å; F105-M170 HydrophobicContact CE1-CG 4.45Å; F105-M170 HydrophobicContact CE1-SD 3.44Å; F105-M170 WeakPolarHBondContact CE1-SD 3.44Å; F105-M170 HydrophobicContact CZ-SD 4.42Å; F105-F216 HydrophobicContact CB-CE2 3.98Å; F105-F216 HydrophobicContact CB-CZ 3.53Å; F105-F216 HydrophobicContact CG-CZ 4.12Å; F105-F362 HydrophobicContact CE1-CD2 4.46Å; F105-F362 HydrophobicContact CE2-CD2 4.03Å; F105-F362 AromaticContact CZ-CD2 3.59Å; F105-F362 HydrophobicContact CZ-CD2 3.59Å; F105-F362 HydrophobicContact CZ-CE2 4.2Å
106	F	79.2	Confident	78.2	Confident	49 Å²	49	39.4 Å²	39.4	22%	0.215	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-40.2	173.8	-75.8	-44.5	0	0	0	111.6	R102 G103 P104 S109 W110 F216 I219 I220	R102-F106 HydrophobicContact CB-CD2 4.43Å; R102-F106 HydrophobicContact CB-CE2 4.17Å; R102-F106 VanDerWaalsContact O-CD2 3.28Å; R102-F106 WeakPolarHBondContact O-CD2 3.4Å; R102-F106 WeakPolarHBondContact O-CG 3.36Å; R102-F106 PolarHBondContact O-N 2.74Å; G103-F106 PolarHBondContact O-N 3.21Å; P104-F106 PolarHBondContact O-N 2.74Å; F106-S109 PolarHBondContact O-N 3.45Å; F106-W110 WeakPolarHBondContact O-CB 3.32Å; F106-W110 PolarHBondContact O-N 3.13Å; F106-F216 AromaticContact CD1-CD2 3.93Å; F106-F216 HydrophobicContact CD1-CD2 3.93Å; F106-F216 AromaticContact CD1-CE2 3.79Å; F106-F216 HydrophobicContact CD1-CE2 3.79Å; F106-F216 HydrophobicContact CD2-CE2 4.47Å; F106-F216 AromaticContact CE1-CD2 3.26Å; F106-F216 HydrophobicContact CE1-CD2 3.26Å; F106-F216 AromaticContact CE1-CE2 3.63Å; F106-F216 HydrophobicContact CE1-CE2 3.63Å; F106-F216 HydrophobicContact CE1-CG 4.23Å; F106-F216 HydrophobicContact CE2-CD2 4.03Å; F106-F216 HydrophobicContact CE2-CE2 4.37Å; F106-F216 HydrophobicContact CG-CE2 4.22Å; F106-F216 AromaticContact CZ-CD2 3.36Å; F106-F216 HydrophobicContact CZ-CD2 3.36Å; F106-F216 AromaticContact CZ-CE2 3.98Å; F106-F216 HydrophobicContact CZ-CE2 3.98Å; F106-F216 HydrophobicContact CZ-CG 4.38Å; F106-I219 HydrophobicContact CD1-CB 4.35Å; F106-I219 HydrophobicContact CD1-CG2 3.73Å; F106-I219 HydrophobicContact CE1-CB 3.52Å; F106-I219 HydrophobicContact CE1-CD1 4.19Å; F106-I219 HydrophobicContact CE1-CG1 4.47Å; F106-I219 HydrophobicContact CE1-CG2 3.34Å; F106-I219 HydrophobicContact CE2-CD1 4.45Å; F106-I219 HydrophobicContact CG-CG2 4.49Å; F106-I219 HydrophobicContact CZ-CB 3.91Å; F106-I219 HydrophobicContact CZ-CD1 3.63Å; F106-I219 HydrophobicContact CZ-CG1 4.38Å; F106-I219 HydrophobicContact CZ-CG2 3.79Å; F106-I220 HydrophobicContact CD1-CG1 4.09Å; F106-I220 HydrophobicContact CE1-CG1 4.28Å
107	K	81	Confident	78.8	Confident	101 Å²	101	33.2 Å²	33.2	44%	0.439	17%	0.167	S	C	.	.	H	α-helix	trans	-64.1	-45.6	173.4	-62.1	176	-177.3	175.6	0	111.3	D90 G103 P104 F105 S109 W110 S111	D90-K107 WeakPolarHBondContact OD1-CD 3.49Å; D90-K107 IonicContact OD1-NZ 3.95Å; D90-K107 PolarHBondContact OD1-NZ 2.92Å; D90-K107 WeakPolarHBondContact OD2-CD 3.14Å; D90-K107 IonicContact OD2-NZ 2.76Å; D90-K107 PolarHBondContact OD2-NZ 2.98Å; G103-K107 PolarHBondContact O-N 2.73Å; P104-K107 WeakPolarHBondContact O-CB 3.35Å; P104-K107 PolarHBondContact O-N 2.89Å; P104-K107 VanDerWaalsContact O-N 3.11Å; F105-K107 VanDerWaalsContact C-N 3.28Å; F105-K107 PolarHBondContact O-N 2.82Å; K107-S109 VanDerWaalsContact C-N 3.31Å; K107-S109 PolarHBondContact O-N 2.69Å; K107-W110 PolarHBondContact O-N 2.8Å; K107-S111 WeakPolarHBondContact O-CB 3.29Å; K107-S111 PolarHBondContact O-N 2.88Å; K107-S111 PolarHBondContact O-OG 2.93Å
108	S	79.9	Confident	79.4	Confident	6 Å²	6	38 Å²	38	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-57.6	-43.4	176	-49.8	0	0	0	0	112.2	L85 P104 F105 S111 A112	L85-S108 WeakPolarHBondContact O-CA 3.45Å; L85-S108 VanDerWaalsContact O-CB 3.24Å; L85-S108 WeakPolarHBondContact O-CB 3.46Å; L85-S108 PolarHBondContact O-OG 3.44Å; P104-S108 PolarHBondContact O-N 3.39Å; P104-S108 PolarHBondContact O-OG 2.91Å; P104-S108 VanDerWaalsContact O-OG 3.11Å; F105-S108 PolarHBondContact O-N 2.94Å; S108-S111 PolarHBondContact O-N 3.13Å; S108-A112 WeakPolarHBondContact O-CB 3.2Å; S108-A112 PolarHBondContact O-N 3.26Å
109	S	80	Confident	80.2	Confident	7 Å²	7	34 Å²	34	5%	0.049	16%	0.163	C	C	.	.	H	α-helix	trans	-66.9	-41.5	177.1	-169.9	0	0	0	0	112.9	F105 F106 K107 S113 I220	F105-S109 WeakPolarHBondContact O-CB 3.5Å; F105-S109 PolarHBondContact O-N 3.41Å; F106-S109 PolarHBondContact O-N 3.45Å; K107-S109 VanDerWaalsContact C-N 3.31Å; K107-S109 PolarHBondContact O-N 2.69Å; S109-S113 WeakPolarHBondContact O-CB 3.26Å; S109-S113 PolarHBondContact O-N 2.92Å; S109-S113 PolarHBondContact O-OG 2.91Å; S109-I220 WeakPolarHBondContact OG-CG2 3.32Å
110	W	84.1	Confident	81.1	Confident	105 Å²	105	35.1 Å²	35.1	40%	0.398	16%	0.164	S	C	.	.	H	α-helix	trans	-63.9	-42.7	173.9	179.7	-93.9	0	0	0	111.2	F106 K107 S113 T114 H223 L227	F106-W110 WeakPolarHBondContact O-CB 3.32Å; F106-W110 PolarHBondContact O-N 3.13Å; K107-W110 PolarHBondContact O-N 2.8Å; W110-S113 PolarHBondContact O-N 3.35Å; W110-T114 PolarHBondContact NE1-OG1 3.25Å; W110-T114 WeakPolarHBondContact O-CB 3.42Å; W110-T114 PolarHBondContact O-N 3.33Å; W110-T114 PolarHBondContact O-OG1 2.86Å; W110-H223 HydrophobicContact CE3-CB 3.73Å; W110-H223 AromaticContact CE3-CD2 3.57Å; W110-H223 AromaticContact CE3-CG 3.55Å; W110-H223 HydrophobicContact CZ3-CB 4.2Å; W110-H223 AromaticContact CZ3-CD2 3.88Å; W110-L227 HydrophobicContact CE3-CD1 4.44Å; W110-L227 HydrophobicContact CH2-CD1 4.1Å; W110-L227 HydrophobicContact CH2-CD2 3.93Å; W110-L227 HydrophobicContact CH2-CG 4.09Å; W110-L227 HydrophobicContact CZ2-CD1 4.3Å; W110-L227 HydrophobicContact CZ2-CD2 4.2Å; W110-L227 HydrophobicContact CZ3-CD1 4.17Å; W110-L227 HydrophobicContact CZ3-CG 4.34Å
111	S	85.4	Confident	81.9	Confident	18 Å²	18	39.9 Å²	39.9	13%	0.126	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-46	176.7	-72.6	0	0	0	0	111.9	K107 S108 S113 T114 A115	K107-S111 WeakPolarHBondContact O-CB 3.29Å; K107-S111 PolarHBondContact O-N 2.88Å; K107-S111 PolarHBondContact O-OG 2.93Å; S108-S111 PolarHBondContact O-N 3.13Å; S111-S113 PolarHBondContact O-N 3.18Å; S111-T114 PolarHBondContact O-N 3.28Å; S111-A115 WeakPolarHBondContact O-CB 3.14Å; S111-A115 PolarHBondContact O-N 2.85Å
112	A	86.3	Confident	82.7	Confident	2 Å²	2	39.5 Å²	39.5	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-42.9	175.2	0	0	0	0	0	112	L85 S108 A115 C116 F146 P148	L85-A112 HydrophobicContact CD2-CB 4.16Å; S108-A112 WeakPolarHBondContact O-CB 3.2Å; S108-A112 PolarHBondContact O-N 3.26Å; A112-A115 PolarHBondContact O-N 3.49Å; A112-C116 WeakPolarHBondContact O-CB 3.28Å; A112-C116 PolarHBondContact O-N 2.92Å; A112-F146 HydrophobicContact CB-CB 4Å; A112-F146 HydrophobicContact CB-CD1 4.36Å; A112-P148 HydrophobicContact CB-CG 4.42Å
113	S	86	Confident	82.9	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-65.3	-44	177.9	-52.5	0	0	0	0	111.9	S109 W110 S111 C116 H117 T224	S109-S113 WeakPolarHBondContact O-CB 3.26Å; S109-S113 PolarHBondContact O-N 2.92Å; S109-S113 PolarHBondContact O-OG 2.91Å; W110-S113 PolarHBondContact O-N 3.35Å; S111-S113 PolarHBondContact O-N 3.18Å; S113-C116 PolarHBondContact O-N 3.48Å; S113-H117 WeakPolarHBondContact O-CB 3.26Å; S113-H117 PolarHBondContact O-N 3.12Å; S113-T224 PolarHBondContact OG-OG1 2.94Å
114	T	86.5	Confident	83.2	Confident	13 Å²	13	48 Å²	48	8%	0.08	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-40.9	176.4	-54.5	0	0	0	0	111.7	M83 W110 S111 R118	M83-T114 HydrophobicContact CE-CG2 3.9Å; M83-T114 HydrophobicContact SD-CG2 3.62Å; W110-T114 PolarHBondContact NE1-OG1 3.25Å; W110-T114 WeakPolarHBondContact O-CB 3.42Å; W110-T114 PolarHBondContact O-N 3.33Å; W110-T114 PolarHBondContact O-OG1 2.86Å; S111-T114 PolarHBondContact O-N 3.28Å; T114-R118 HydrophobicContact CG2-CG 4.37Å; T114-R118 WeakPolarHBondContact O-CB 3.43Å; T114-R118 VanDerWaalsContact O-CG 3.3Å; T114-R118 WeakPolarHBondContact O-CG 3.32Å; T114-R118 PolarHBondContact O-N 3.39Å
115	A	87.6	Confident	83.5	Confident	5 Å²	5	48.8 Å²	48.8	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-42.7	176.1	0	0	0	0	0	111.3	M32 I80 S111 A112 S119	M32-A115 HydrophobicContact CE-CB 3.92Å; I80-A115 HydrophobicContact CB-CB 4.07Å; I80-A115 HydrophobicContact CD1-CB 4.49Å; I80-A115 HydrophobicContact CG2-CB 4.02Å; S111-A115 WeakPolarHBondContact O-CB 3.14Å; S111-A115 PolarHBondContact O-N 2.85Å; A112-A115 PolarHBondContact O-N 3.49Å; A115-S119 VanDerWaalsContact O-CB 3.23Å; A115-S119 WeakPolarHBondContact O-CB 3.21Å; A115-S119 PolarHBondContact O-N 2.82Å; A115-S119 PolarHBondContact O-OG 2.68Å
116	C	87.6	Confident	83.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-56.4	175.2	168.2	0	0	0	0	110.8	M32 A112 S113 R118 S119 R120 P148 C149	M32-C116 HydrophobicContact CE-CB 4.02Å; M32-C116 HydrophobicContact SD-CB 3.79Å; A112-C116 WeakPolarHBondContact O-CB 3.28Å; A112-C116 PolarHBondContact O-N 2.92Å; S113-C116 PolarHBondContact O-N 3.48Å; C116-R118 PolarHBondContact O-N 3.22Å; C116-S119 PolarHBondContact O-N 2.87Å; C116-S119 PolarHBondContact O-OG 2.66Å; C116-R120 PolarHBondContact O-N 2.89Å; C116-P148 HydrophobicContact CB-CG 3.85Å; C116-C149 WeakPolarHBondContact CA-SG 3.27Å; C116-C149 HydrophobicContact CB-CB 3.92Å; C116-C149 WeakPolarHBondContact CB-SG 3.49Å; C116-C149 WeakPolarHBondContact SG-CA 3.25Å; C116-C149 WeakPolarHBondContact SG-CB 3.43Å; C116-C149 PolarHBondContact SG-N 3.3Å; C116-C149 CovalentContact SG-SG 2.04Å; C116-C149 PolarHBondContact SG-SG 3.02Å
117	H	86	Confident	83.6	Confident	59 Å²	59	51.4 Å²	51.4	27%	0.273	25%	0.248	S	C	.	.	H	α-helix	trans	-52.3	-54.3	178	177.2	82.5	0	0	0	111.5	S113 S119 R120 H121 L227	S113-H117 WeakPolarHBondContact O-CB 3.26Å; S113-H117 PolarHBondContact O-N 3.12Å; H117-S119 PolarHBondContact O-N 3.43Å; H117-R120 PolarHBondContact O-N 2.69Å; H117-H121 AromaticContact CE1-CD2 3.49Å; H117-H121 PolarHBondContact CE1-CD2 3.45Å; H117-H121 VanDerWaalsContact CE1-CD2 3.49Å; H117-H121 AromaticContact CE1-NE2 3.6Å; H117-H121 AromaticContact ND1-CD2 3.77Å; H117-H121 AromaticContact ND1-NE2 3.88Å; H117-H121 AromaticContact NE2-CD2 3.78Å; H117-H121 PolarHBondContact O-CD2 3.36Å; H117-H121 VanDerWaalsContact O-CD2 3.23Å; H117-H121 PolarHBondContact O-N 3.27Å; H117-L227 HydrophobicContact CB-CB 4.42Å; H117-L227 PolarHBondContact CE1-O 2.9Å; H117-L227 PolarHBondContact ND1-O 3.46Å
118	R	86.6	Confident	83.8	Confident	144 Å²	144	48.2 Å²	48.2	54%	0.543	23%	0.234	S	C	.	.	H	α-helix	trans	-58.2	-46.4	178.6	-74.4	177.8	177.6	179.6	-0.9	112.7	M83 T114 C116 R120 H121 A122	M83-R118 PolarHBondContact SD-NH1 3.3Å; M83-R118 VanDerWaalsContact SD-NH1 3.44Å; T114-R118 HydrophobicContact CG2-CG 4.37Å; T114-R118 WeakPolarHBondContact O-CB 3.43Å; T114-R118 VanDerWaalsContact O-CG 3.3Å; T114-R118 WeakPolarHBondContact O-CG 3.32Å; T114-R118 PolarHBondContact O-N 3.39Å; C116-R118 PolarHBondContact O-N 3.22Å; R118-R120 PolarHBondContact O-N 3.02Å; R118-H121 PolarHBondContact O-N 3Å; R118-A122 WeakPolarHBondContact O-CB 3.45Å; R118-A122 PolarHBondContact O-N 3.29Å
119	S	86.7	Confident	84	Confident	5 Å²	5	49.3 Å²	49.3	4%	0.035	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-26.9	-179.2	67.3	0	0	0	0	113.2	A115 C116 H117 H125 Y129	A115-S119 VanDerWaalsContact O-CB 3.23Å; A115-S119 WeakPolarHBondContact O-CB 3.21Å; A115-S119 PolarHBondContact O-N 2.82Å; A115-S119 PolarHBondContact O-OG 2.68Å; C116-S119 PolarHBondContact O-N 2.87Å; C116-S119 PolarHBondContact O-OG 2.66Å; H117-S119 PolarHBondContact O-N 3.43Å; S119-H125 WeakPolarHBondContact O-CB 3.35Å; S119-Y129 WeakPolarHBondContact O-CE2 3.24Å; S119-Y129 PolarHBondContact OG-OH 2.94Å
120	R	84.3	Confident	83.9	Confident	37 Å²	37	55.1 Å²	55.1	14%	0.14	26%	0.262	C	S	.	.	H	α-helix	trans	-75.6	-32.6	175	-78.6	173.5	45.3	-153.4	-24.2	114	C116 H117 R118 Y129 E228	C116-R120 PolarHBondContact O-N 2.89Å; H117-R120 PolarHBondContact O-N 2.69Å; R118-R120 PolarHBondContact O-N 3.02Å; R120-Y129 HydrophobicContact CB-CD2 4.21Å; R120-Y129 HydrophobicContact CB-CE2 4.34Å; R120-Y129 HydrophobicContact CB-CG 4.44Å; R120-Y129 HydrophobicContact CG-CD1 3.61Å; R120-Y129 HydrophobicContact CG-CD2 3.67Å; R120-Y129 HydrophobicContact CG-CE1 3.53Å; R120-Y129 HydrophobicContact CG-CE2 3.63Å; R120-Y129 HydrophobicContact CG-CG 3.64Å; R120-E228 IonicContact CZ-OE1 2.72Å; R120-E228 IonicContact CZ-OE2 3.08Å; R120-E228 IonicContact NH1-OE1 3.11Å; R120-E228 PolarHBondContact NH1-OE1 2.93Å; R120-E228 VanDerWaalsContact NH1-OE1 3.15Å; R120-E228 IonicContact NH1-OE2 3.82Å; R120-E228 PolarHBondContact NH1-OE2 2.55Å; R120-E228 IonicContact NH2-OE2 3.43Å; R120-E228 PolarHBondContact NH2-OE2 3.13Å
121	H	82.4	Confident	83.6	Confident	118 Å²	118	56.1 Å²	56.1	55%	0.546	27%	0.269	S	S	.	.	H	α-helix	trans	-95.1	-10.4	-179.4	-68	-73	0	0	0	113.7	H117 R118	H117-H121 AromaticContact CE1-CD2 3.49Å; H117-H121 PolarHBondContact CE1-CD2 3.45Å; H117-H121 VanDerWaalsContact CE1-CD2 3.49Å; H117-H121 AromaticContact CE1-NE2 3.6Å; H117-H121 AromaticContact ND1-CD2 3.77Å; H117-H121 AromaticContact ND1-NE2 3.88Å; H117-H121 AromaticContact NE2-CD2 3.78Å; H117-H121 PolarHBondContact O-CD2 3.36Å; H117-H121 VanDerWaalsContact O-CD2 3.23Å; H117-H121 PolarHBondContact O-N 3.27Å; R118-H121 PolarHBondContact O-N 3Å
122	A	84.7	Confident	83.4	Confident	35 Å²	35	55.4 Å²	55.4	29%	0.289	26%	0.264	S	S	.	.	S	Bend	trans	-71.2	129.3	174.5	0	0	0	0	0	111.2	R118 N124 H125 S126	R118-A122 WeakPolarHBondContact O-CB 3.45Å; R118-A122 PolarHBondContact O-N 3.29Å; A122-N124 VanDerWaalsContact C-N 3.29Å; A122-N124 VanDerWaalsContact CB-OD1 3.25Å; A122-N124 WeakPolarHBondContact CB-OD1 3.32Å; A122-N124 PolarHBondContact O-N 3.42Å; A122-H125 CarbonylContact O-C 3.56Å; A122-H125 PolarHBondContact O-N 3.21Å; A122-S126 PolarHBondContact O-N 2.79Å
123	E	79.5	Confident	82.9	Confident	177 Å²	177	58.6 Å²	58.6	83%	0.827	29%	0.286	S	S	*	.	H	α-helix	trans	-52.4	-46.3	-175	-64.9	-177.1	156.1	0	0	112.6	H125 S126	E123-H125 PolarHBondContact O-N 3.44Å; E123-S126 PolarHBondContact O-N 3.06Å; E123-S126 PolarHBondContact O-OG 2.76Å
124	N	82.6	Confident	82.4	Confident	107 Å²	107	63.5 Å²	63.5	57%	0.572	32%	0.316	S	S	*	.	H	α-helix	trans	-60.5	-14.4	179.7	70.6	-21.2	0	0	0	115.3	A122	A122-N124 VanDerWaalsContact C-N 3.29Å; A122-N124 VanDerWaalsContact CB-OD1 3.25Å; A122-N124 WeakPolarHBondContact CB-OD1 3.32Å; A122-N124 PolarHBondContact O-N 3.42Å
125	H	83.4	Confident	81.7	Confident	23 Å²	23	67.2 Å²	67.2	11%	0.106	34%	0.335	C	S	.	.	H	α-helix	trans	-127.9	-13.2	-176.5	-67.2	-25.3	0	0	0	112.8	L79 S119 A122 E123 D127 F128 Y129	L79-H125 PolarHBondContact N-NE2 2.9Å; S119-H125 WeakPolarHBondContact O-CB 3.35Å; A122-H125 CarbonylContact O-C 3.56Å; A122-H125 PolarHBondContact O-N 3.21Å; E123-H125 PolarHBondContact O-N 3.44Å; H125-D127 VanDerWaalsContact C-N 3.27Å; H125-D127 PolarHBondContact O-N 3.26Å; H125-F128 WeakPolarHBondContact O-CA 3.45Å; H125-F128 WeakPolarHBondContact O-CB 3.43Å; H125-F128 PolarHBondContact O-N 3Å; H125-Y129 WeakPolarHBondContact O-CD2 3.48Å; H125-Y129 PolarHBondContact O-N 3.39Å; H125-Y129 VanDerWaalsContact O-N 3.17Å
126	S	76	Confident	81.2	Confident	29 Å²	29	74.3 Å²	74.3	20%	0.203	37%	0.372	C	S	.	.	H	α-helix	trans	-53.9	-42	176.7	68.9	0	0	0	0	112.6	A122 E123 F128 Y129 K130	A122-S126 PolarHBondContact O-N 2.79Å; E123-S126 PolarHBondContact O-N 3.06Å; E123-S126 PolarHBondContact O-OG 2.76Å; S126-F128 PolarHBondContact O-N 3.38Å; S126-Y129 PolarHBondContact O-N 2.72Å; S126-K130 WeakPolarHBondContact O-CG 3.37Å; S126-K130 PolarHBondContact O-N 3.37Å
127	D	78.2	Confident	81.2	Confident	87 Å²	87	75.4 Å²	75.4	47%	0.465	38%	0.376	S	S	.	.	H	α-helix	trans	-68.2	-30.3	175.8	-88.4	6.7	0	0	0	113.7	H125 K130 K131	H125-D127 VanDerWaalsContact C-N 3.27Å; H125-D127 PolarHBondContact O-N 3.26Å; D127-K130 IonicContact OD1-NZ 3.79Å; D127-K131 VanDerWaalsContact O-CB 3.28Å; D127-K131 WeakPolarHBondContact O-CB 3.21Å; D127-K131 VanDerWaalsContact O-CG 3.24Å; D127-K131 WeakPolarHBondContact O-CG 3.27Å; D127-K131 PolarHBondContact O-N 3.38Å
128	F	85.1	Confident	81.4	Confident	33 Å²	33	75 Å²	75	15%	0.145	38%	0.376	C	S	.	.	H	α-helix	trans	-64	-47.4	171.6	156.4	-108.3	0	0	0	109.9	V58 I76 V78 H125 S126 K131 L132	V58-F128 HydrophobicContact CG1-CE1 4.35Å; V58-F128 HydrophobicContact CG1-CZ 3.87Å; V58-F128 HydrophobicContact CG2-CE2 4.45Å; V58-F128 HydrophobicContact CG2-CZ 3.96Å; I76-F128 HydrophobicContact CB-CE2 4.37Å; I76-F128 HydrophobicContact CD1-CE2 4.06Å; I76-F128 HydrophobicContact CG2-CD2 3.63Å; I76-F128 HydrophobicContact CG2-CE2 3.54Å; I76-F128 HydrophobicContact CG2-CG 4.43Å; I76-F128 HydrophobicContact CG2-CZ 4.28Å; V78-F128 HydrophobicContact CG2-CD1 3.94Å; V78-F128 HydrophobicContact CG2-CE1 3.74Å; V78-F128 HydrophobicContact CG2-CZ 4.33Å; H125-F128 WeakPolarHBondContact O-CA 3.45Å; H125-F128 WeakPolarHBondContact O-CB 3.43Å; H125-F128 PolarHBondContact O-N 3Å; S126-F128 PolarHBondContact O-N 3.38Å; F128-K131 PolarHBondContact O-N 2.77Å; F128-L132 HydrophobicContact CD2-CD1 4.49Å; F128-L132 HydrophobicContact CE2-CD1 3.6Å; F128-L132 HydrophobicContact CZ-CD1 3.83Å; F128-L132 HydrophobicContact CZ-CD2 4.1Å; F128-L132 HydrophobicContact CZ-CG 4.49Å; F128-L132 WeakPolarHBondContact O-CB 3.35Å; F128-L132 PolarHBondContact O-N 3.11Å
129	Y	84.2	Confident	81.7	Confident	29 Å²	29	68.1 Å²	68.1	11%	0.114	35%	0.35	C	S	.	.	H	α-helix	trans	-69.1	-35.6	179.9	-74.6	-77	0	0	0	113.7	Y60 S119 R120 H125 S126 L132 S133 C149	Y60-Y129 VanDerWaalsContact CE1-OH 3.27Å; Y60-Y129 WeakPolarHBondContact CE1-OH 3.22Å; Y60-Y129 PolarHBondContact OH-OH 3.31Å; S119-Y129 WeakPolarHBondContact O-CE2 3.24Å; S119-Y129 PolarHBondContact OG-OH 2.94Å; R120-Y129 HydrophobicContact CB-CD2 4.21Å; R120-Y129 HydrophobicContact CB-CE2 4.34Å; R120-Y129 HydrophobicContact CB-CG 4.44Å; R120-Y129 HydrophobicContact CG-CD1 3.61Å; R120-Y129 HydrophobicContact CG-CD2 3.67Å; R120-Y129 HydrophobicContact CG-CE1 3.53Å; R120-Y129 HydrophobicContact CG-CE2 3.63Å; R120-Y129 HydrophobicContact CG-CG 3.64Å; H125-Y129 WeakPolarHBondContact O-CD2 3.48Å; H125-Y129 PolarHBondContact O-N 3.39Å; H125-Y129 VanDerWaalsContact O-N 3.17Å; S126-Y129 PolarHBondContact O-N 2.72Å; Y129-L132 HydrophobicContact CD1-CD2 4.29Å; Y129-L132 WeakPolarHBondContact O-CB 3.41Å; Y129-L132 PolarHBondContact O-N 3.29Å; Y129-S133 PolarHBondContact O-N 2.74Å; Y129-S133 PolarHBondContact O-OG 3.34Å; Y129-C149 HydrophobicContact CE1-CB 4.42Å; Y129-C149 PolarHBondContact OH-SG 2.67Å; Y129-C149 VanDerWaalsContact OH-SG 3.32Å
130	K	78.9	Confident	82	Confident	129 Å²	129	67.9 Å²	67.9	56%	0.561	35%	0.348	S	S	*	.	H	α-helix	trans	-62.1	-46.4	169.3	-71.6	171.9	-171.9	166.9	0	111.4	S126 D127 L132 S133 T134	S126-K130 WeakPolarHBondContact O-CG 3.37Å; S126-K130 PolarHBondContact O-N 3.37Å; D127-K130 IonicContact OD1-NZ 3.79Å; K130-L132 VanDerWaalsContact C-N 3.31Å; K130-L132 PolarHBondContact O-N 3.35Å; K130-S133 PolarHBondContact O-N 2.63Å; K130-S133 PolarHBondContact O-OG 3.35Å; K130-S133 VanDerWaalsContact O-OG 3.05Å; K130-T134 WeakPolarHBondContact O-CG2 3.06Å; K130-T134 PolarHBondContact O-N 3.3Å; K130-T134 VanDerWaalsContact O-N 3.08Å; K130-T134 PolarHBondContact O-OG1 2.99Å
131	K	77	Confident	82.5	Confident	127 Å²	127	66.1 Å²	66.1	55%	0.552	34%	0.342	S	S	*	.	H	α-helix	trans	-62.8	-39.8	176	-76.5	170.1	-178.3	169.4	0	111.5	D127 F128 S133 T134 L135	D127-K131 VanDerWaalsContact O-CB 3.28Å; D127-K131 WeakPolarHBondContact O-CB 3.21Å; D127-K131 VanDerWaalsContact O-CG 3.24Å; D127-K131 WeakPolarHBondContact O-CG 3.27Å; D127-K131 PolarHBondContact O-N 3.38Å; F128-K131 PolarHBondContact O-N 2.77Å; K131-S133 VanDerWaalsContact C-N 3.29Å; K131-S133 PolarHBondContact O-N 3.38Å; K131-T134 WeakPolarHBondContact CA-OG1 3.47Å; K131-T134 PolarHBondContact O-N 3.35Å; K131-T134 PolarHBondContact O-OG1 3.18Å; K131-T134 VanDerWaalsContact O-OG1 3.06Å; K131-L135 WeakPolarHBondContact O-CB 3.36Å; K131-L135 VanDerWaalsContact O-CG 3.24Å; K131-L135 WeakPolarHBondContact O-CG 3.5Å; K131-L135 PolarHBondContact O-N 2.96Å
132	L	81.9	Confident	83	Confident	3 Å²	3	60.5 Å²	60.5	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-54.2	-46.9	177.4	-151.6	70	0	0	0	111.1	L27 F128 Y129 K130 W137 F153	L27-L132 HydrophobicContact CD2-CD1 3.56Å; L27-L132 HydrophobicContact CD2-CD2 4.48Å; L27-L132 HydrophobicContact CD2-CG 4.25Å; F128-L132 HydrophobicContact CD2-CD1 4.49Å; F128-L132 HydrophobicContact CE2-CD1 3.6Å; F128-L132 HydrophobicContact CZ-CD1 3.83Å; F128-L132 HydrophobicContact CZ-CD2 4.1Å; F128-L132 HydrophobicContact CZ-CG 4.49Å; F128-L132 WeakPolarHBondContact O-CB 3.35Å; F128-L132 PolarHBondContact O-N 3.11Å; Y129-L132 HydrophobicContact CD1-CD2 4.29Å; Y129-L132 WeakPolarHBondContact O-CB 3.41Å; Y129-L132 PolarHBondContact O-N 3.29Å; K130-L132 VanDerWaalsContact C-N 3.31Å; K130-L132 PolarHBondContact O-N 3.35Å; L132-W137 HydrophobicContact CD1-CZ2 4.12Å; L132-W137 PolarHBondContact O-NE1 2.78Å; L132-F153 HydrophobicContact CB-CE2 4.36Å; L132-F153 HydrophobicContact CB-CZ 4.42Å; L132-F153 HydrophobicContact CD2-CD1 4.05Å; L132-F153 HydrophobicContact CD2-CD2 4.15Å; L132-F153 HydrophobicContact CD2-CE1 4.24Å; L132-F153 HydrophobicContact CD2-CE2 4.33Å; L132-F153 HydrophobicContact CD2-CG 4.05Å; L132-F153 HydrophobicContact CD2-CZ 4.41Å; L132-F153 HydrophobicContact CG-CD1 4.31Å; L132-F153 HydrophobicContact CG-CD2 4.49Å; L132-F153 HydrophobicContact CG-CE1 3.99Å; L132-F153 HydrophobicContact CG-CE2 4.17Å; L132-F153 HydrophobicContact CG-CZ 3.95Å; L132-F153 WeakPolarHBondContact O-CZ 3.34Å
133	S	76.2	Confident	83.3	Confident	69 Å²	69	58.8 Å²	58.8	48%	0.483	30%	0.302	S	S	.	.	H	α-helix	trans	-81.1	-18.9	-178.7	61.4	0	0	0	0	115.5	Y129 K130 K131	Y129-S133 PolarHBondContact O-N 2.74Å; Y129-S133 PolarHBondContact O-OG 3.34Å; K130-S133 PolarHBondContact O-N 2.63Å; K130-S133 PolarHBondContact O-OG 3.35Å; K130-S133 VanDerWaalsContact O-OG 3.05Å; K131-S133 VanDerWaalsContact C-N 3.29Å; K131-S133 PolarHBondContact O-N 3.38Å
134	T	74.6	Confident	83.6	Confident	105 Å²	105	50.8 Å²	50.8	64%	0.644	27%	0.265	S	S	*	.	H	α-helix	trans	-86.5	-20.2	170.9	56.9	0	0	0	0	113.9	K130 K131	K130-T134 WeakPolarHBondContact O-CG2 3.06Å; K130-T134 PolarHBondContact O-N 3.3Å; K130-T134 VanDerWaalsContact O-N 3.08Å; K130-T134 PolarHBondContact O-OG1 2.99Å; K131-T134 WeakPolarHBondContact CA-OG1 3.47Å; K131-T134 PolarHBondContact O-N 3.35Å; K131-T134 PolarHBondContact O-OG1 3.18Å; K131-T134 VanDerWaalsContact O-OG1 3.06Å
135	L	73.1	Confident	83.5	Confident	91 Å²	91	45.8 Å²	45.8	48%	0.476	24%	0.238	S	C	.	.	S	Bend	trans	-81.8	124	177.8	-74.7	167.9	0	0	0	110.5	K131 W137	K131-L135 WeakPolarHBondContact O-CB 3.36Å; K131-L135 VanDerWaalsContact O-CG 3.24Å; K131-L135 WeakPolarHBondContact O-CG 3.5Å; K131-L135 PolarHBondContact O-N 2.96Å; L135-W137 HydrophobicContact CB-CZ2 4.38Å; L135-W137 HydrophobicContact CD1-CZ2 3.91Å; L135-W137 PolarHBondContact O-N 3Å; L135-W137 VanDerWaalsContact O-N 3.1Å
136	N	75.4	Confident	83.5	Confident	153 Å²	153	46.2 Å²	46.2	82%	0.818	24%	0.24	S	C	*	.			trans	-75	96.6	170.5	-74.7	-33.8	0	0	0	109.6
137	W	88.8	Confident	84.2	Confident	23 Å²	23	44.9 Å²	44.9	9%	0.087	23%	0.231	C	C	.	.			trans	-79.3	129.3	170.6	-59.5	94.2	0	0	0	109.9	N25 L27 L132 L135 L139 L140 F153 Q160	N25-W137 HydrophobicContact CB-CE3 4.05Å; N25-W137 HydrophobicContact CB-CZ3 4.31Å; L27-W137 HydrophobicContact CB-CD2 3.82Å; L27-W137 HydrophobicContact CB-CE3 3.65Å; L27-W137 HydrophobicContact CB-CG 4.41Å; L27-W137 HydrophobicContact CB-CH2 4.3Å; L27-W137 HydrophobicContact CB-CZ2 4.46Å; L27-W137 HydrophobicContact CB-CZ3 3.9Å; L27-W137 HydrophobicContact CD1-CH2 3.84Å; L27-W137 HydrophobicContact CD1-CZ2 4.08Å; L27-W137 HydrophobicContact CD1-CZ3 4.16Å; L27-W137 HydrophobicContact CD2-CD2 4.47Å; L27-W137 HydrophobicContact CD2-CZ2 4.28Å; L132-W137 HydrophobicContact CD1-CZ2 4.12Å; L132-W137 PolarHBondContact O-NE1 2.78Å; L135-W137 HydrophobicContact CB-CZ2 4.38Å; L135-W137 HydrophobicContact CD1-CZ2 3.91Å; L135-W137 PolarHBondContact O-N 3Å; L135-W137 VanDerWaalsContact O-N 3.1Å; W137-L139 PolarHBondContact O-N 2.97Å; W137-L140 HydrophobicContact CB-CD2 3.74Å; W137-L140 HydrophobicContact CG-CD2 3.85Å; W137-F153 AromaticContact CD1-CE1 3.97Å; W137-Q160 PolarHBondContact O-NE2 3.47Å; W137-Q160 PolarHBondContact O-OE1 3.17Å
138	D	90.2	Very high	84.7	Confident	50 Å²	50	41 Å²	41	27%	0.267	21%	0.21	S	C	.	.	S	Bend	trans	-66.7	-29.9	175.6	-67.5	-84.6	0	0	0	111.6	K24 N25 L434	K24-D138 WeakPolarHBondContact CA-OD2 3.27Å; K24-D138 HydrophobicContact CB-CB 3.98Å; K24-D138 HydrophobicContact CD-CB 4.06Å; K24-D138 WeakPolarHBondContact CD-OD1 3.34Å; K24-D138 HydrophobicContact CG-CB 4.37Å; K24-D138 IonicContact NZ-OD1 2.72Å; K24-D138 PolarHBondContact NZ-OD1 3.48Å; N25-D138 PolarHBondContact N-OD2 2.83Å; N25-D138 PolarHBondContact O-N 3.38Å; D138-L434 HydrophobicContact CB-CD2 4.19Å
139	L	92.3	Very high	84.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	142.2	177.8	-173.1	63.6	0	0	0	111.9	I26 L27 W137 I141 A161 I163 I430 Y433 L434	I26-L139 WeakPolarHBondContact CA-O 3.35Å; I26-L139 HydrophobicContact CG1-CB 4.43Å; I26-L139 HydrophobicContact CG2-CB 4.29Å; L27-L139 PolarHBondContact N-O 2.72Å; W137-L139 PolarHBondContact O-N 2.97Å; L139-I141 HydrophobicContact CD2-CD1 4.41Å; L139-I141 HydrophobicContact CD2-CG1 4.31Å; L139-I141 HydrophobicContact CG-CG1 4.37Å; L139-A161 HydrophobicContact CD1-CB 3.98Å; L139-I163 HydrophobicContact CD1-CD1 4.49Å; L139-I163 HydrophobicContact CD1-CG1 4.26Å; L139-I163 HydrophobicContact CD2-CD1 3.92Å; L139-I430 HydrophobicContact CD2-CG2 3.67Å; L139-Y433 HydrophobicContact CD1-CD1 4.2Å; L139-Y433 HydrophobicContact CD1-CE1 4.08Å; L139-L434 HydrophobicContact CB-CD2 4.11Å; L139-L434 HydrophobicContact CD2-CD2 4.46Å
140	L	93.7	Very high	85.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	144.1	165.2	-49.5	179.2	0	0	0	110.6	L27 W137 V142 F153 C154 Q160 A161 W162 I163	L27-L140 HydrophobicContact CB-CD2 3.78Å; L27-L140 HydrophobicContact CD2-CD2 4.08Å; L27-L140 CarbonylContact O-C 3.58Å; L27-L140 WeakPolarHBondContact O-CA 3.31Å; W137-L140 HydrophobicContact CB-CD2 3.74Å; W137-L140 HydrophobicContact CG-CD2 3.85Å; L140-V142 HydrophobicContact CB-CG2 3.99Å; L140-F153 HydrophobicContact CD1-CD1 3.46Å; L140-F153 VanDerWaalsContact CD1-CD1 3.46Å; L140-F153 HydrophobicContact CD1-CE1 3.75Å; L140-F153 HydrophobicContact CD2-CD1 4.19Å; L140-F153 HydrophobicContact CD2-CE1 3.89Å; L140-F153 HydrophobicContact CG-CD1 4.49Å; L140-F153 HydrophobicContact CG-CE1 4.46Å; L140-C154 VanDerWaalsContact CD1-SG 3.57Å; L140-Q160 HydrophobicContact CD1-CG 3.39Å; L140-Q160 HydrophobicContact CG-CG 3.71Å; L140-A161 PolarHBondContact N-O 3.26Å; L140-W162 HydrophobicContact CB-CB 3.9Å; L140-W162 CarbonylContact O-C 3.43Å; L140-W162 WeakPolarHBondContact O-CA 3.39Å; L140-I163 PolarHBondContact O-N 3.08Å
141	I	94.2	Very high	85.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	105.5	172.2	-57.3	178.6	0	0	0	106.7	I26 L27 F28 M29 M41 L48 L139 I163 Y165 I430	I26-I141 HydrophobicContact CG2-CD1 3.83Å; I26-I141 HydrophobicContact CG2-CG1 4.1Å; L27-I141 PolarHBondContact O-N 3.3Å; F28-I141 CarbonylContact C-O 3.5Å; F28-I141 WeakPolarHBondContact CA-O 3.46Å; F28-I141 HydrophobicContact CD1-CB 4.1Å; F28-I141 HydrophobicContact CD1-CG2 4.05Å; F28-I141 HydrophobicContact CD2-CD1 4.49Å; F28-I141 HydrophobicContact CE1-CB 4.21Å; F28-I141 HydrophobicContact CE1-CD1 3.99Å; F28-I141 HydrophobicContact CE1-CG2 3.95Å; F28-I141 HydrophobicContact CE2-CD1 3.83Å; F28-I141 HydrophobicContact CG-CB 4.36Å; F28-I141 HydrophobicContact CZ-CD1 3.56Å; M29-I141 PolarHBondContact N-O 2.8Å; M41-I141 HydrophobicContact CE-CG2 3.87Å; L48-I141 HydrophobicContact CD1-CD1 4.13Å; L139-I141 HydrophobicContact CD2-CD1 4.41Å; L139-I141 HydrophobicContact CD2-CG1 4.31Å; L139-I141 HydrophobicContact CG-CG1 4.37Å; I141-I163 HydrophobicContact CG1-CB 4.36Å; I141-I163 HydrophobicContact CG2-CG2 4.47Å; I141-Y165 HydrophobicContact CG2-CD2 3.76Å; I141-Y165 HydrophobicContact CG2-CG 4.13Å; I141-I430 HydrophobicContact CD1-CD1 3.77Å
142	V	93.5	Very high	86	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.2	-165.2	178.7	0	0	0	0	110.6	M29 L140 S144 Q147 C154 I163 Y165 F243	M29-V142 HydrophobicContact CB-CG1 4.46Å; M29-V142 HydrophobicContact CB-CG2 4.18Å; M29-V142 HydrophobicContact CG-CG2 4.48Å; M29-V142 HydrophobicContact SD-CG2 4.45Å; L140-V142 HydrophobicContact CB-CG2 3.99Å; V142-S144 PolarHBondContact O-N 3.44Å; V142-Q147 HydrophobicContact CG1-CG 4.06Å; V142-C154 VanDerWaalsContact CG2-SG 3.54Å; V142-I163 PolarHBondContact N-O 2.89Å; V142-Y165 WeakPolarHBondContact O-CB 3.43Å; V142-Y165 PolarHBondContact O-N 3.4Å; V142-F243 HydrophobicContact CB-CE2 3.97Å; V142-F243 HydrophobicContact CB-CZ 4.04Å; V142-F243 HydrophobicContact CG1-CE2 3.89Å; V142-F243 HydrophobicContact CG1-CZ 3.92Å
143	D	90.8	Very high	86.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	126.7	173.4	-157.7	-34.5	0	0	0	110.9	M29 A31 H37 I145 Q147 Y165	M29-D143 PolarHBondContact O-N 3.22Å; A31-D143 WeakPolarHBondContact CB-OD2 3.44Å; A31-D143 PolarHBondContact N-OD2 2.64Å; A31-D143 VanDerWaalsContact N-OD2 3.08Å; H37-D143 IonicContact CE1-OD2 2.63Å; H37-D143 IonicContact CG-OD2 2.64Å; H37-D143 IonicContact ND1-OD1 3.5Å; H37-D143 IonicContact ND1-OD2 3.1Å; H37-D143 PolarHBondContact ND1-OD2 3.38Å; D143-I145 PolarHBondContact O-N 2.99Å; D143-I145 PolarHBondContact OD1-N 2.9Å; D143-Q147 HydrophobicContact CB-CB 4.16Å; D143-Q147 WeakPolarHBondContact O-CB 3.46Å; D143-Y165 CarbonylContact C-O 3.53Å; D143-Y165 VanDerWaalsContact CA-O 3.28Å; D143-Y165 WeakPolarHBondContact CA-O 3.43Å
144	S	86	Confident	86.8	Confident	8 Å²	8	24.2 Å²	24.2	6%	0.056	13%	0.13	C	C	.	.	S	Bend	trans	-71.3	-8.6	173.8	26	0	0	0	0	113.4	V142 D164 Y165 S166 R178	V142-S144 PolarHBondContact O-N 3.44Å; S144-D164 WeakPolarHBondContact CB-OD1 3.4Å; S144-D164 PolarHBondContact OG-OD1 2.83Å; S144-Y165 PolarHBondContact N-O 3.26Å; S144-Y165 PolarHBondContact OG-O 3.31Å; S144-S166 WeakPolarHBondContact OG-CB 3.46Å; S144-S166 PolarHBondContact OG-OG 3.41Å; S144-R178 PolarHBondContact OG-NH2 2.97Å; S144-R178 VanDerWaalsContact OG-NH2 3.08Å
145	I	80.5	Confident	87.2	Confident	2 Å²	2	20.1 Å²	20.1	1%	0.01	10%	0.104	C	C	.	.	S	Bend	trans	-114.1	125.7	-175.5	-64.2	177	0	0	0	110.2	A31 D143 Q147 T168 M170 F171	A31-I145 WeakPolarHBondContact CB-O 3.48Å; D143-I145 PolarHBondContact O-N 2.99Å; D143-I145 PolarHBondContact OD1-N 2.9Å; I145-Q147 PolarHBondContact O-N 2.96Å; I145-T168 HydrophobicContact CD1-CG2 3.61Å; I145-T168 WeakPolarHBondContact CD1-O 3.35Å; I145-M170 HydrophobicContact CD1-CB 3.65Å; I145-M170 HydrophobicContact CD1-CE 4.47Å; I145-M170 HydrophobicContact CG2-CE 4.34Å; I145-M170 HydrophobicContact CG2-SD 4.42Å; I145-F171 HydrophobicContact CG1-CD2 4.31Å; I145-F171 HydrophobicContact CG1-CE2 4.26Å
146	F	83.9	Confident	87.5	Confident	33 Å²	33	18.7 Å²	18.7	15%	0.145	10%	0.097	C	C	.	.	S	Bend	trans	50	31.5	177.3	-53.9	-50.8	0	0	0	115.2	A31 M32 F105 A112	A31-F146 HydrophobicContact CB-CB 4.31Å; M32-F146 WeakPolarHBondContact CB-O 3.37Å; M32-F146 VanDerWaalsContact CG-O 3.3Å; M32-F146 WeakPolarHBondContact CG-O 3.47Å; M32-F146 PolarHBondContact N-O 2.89Å; F105-F146 HydrophobicContact CD1-CZ 4.13Å; A112-F146 HydrophobicContact CB-CB 4Å; A112-F146 HydrophobicContact CB-CD1 4.36Å
147	Q	89.1	Confident	87.7	Confident	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.067	C	C	.	.			trans	-125.2	62.8	173.3	-173.6	43.8	-88.3	0	0	112.9	M29 P30 V142 D143 I145 C149 G150 M151	M29-Q147 HydrophobicContact CB-CG 4.04Å; P30-Q147 PolarHBondContact O-NE2 3Å; V142-Q147 HydrophobicContact CG1-CG 4.06Å; D143-Q147 HydrophobicContact CB-CB 4.16Å; D143-Q147 WeakPolarHBondContact O-CB 3.46Å; I145-Q147 PolarHBondContact O-N 2.96Å; Q147-C149 VanDerWaalsContact C-N 3.26Å; Q147-C149 PolarHBondContact O-N 2.77Å; Q147-C149 VanDerWaalsContact OE1-CB 3.25Å; Q147-G150 PolarHBondContact O-N 2.81Å; Q147-M151 PolarHBondContact O-N 3.32Å
148	P	88.6	Confident	86.9	Confident	5 Å²	5	18.6 Å²	18.6	3%	0.032	9%	0.093	C	C	.	.	H	α-helix	trans	-60.3	-34.4	179.7	21.4	-29.3	0	0	0	112.7	M32 A112 C116 G150 M151 I152 T224	M32-P148 HydrophobicContact SD-CG 4.23Å; A112-P148 HydrophobicContact CB-CG 4.42Å; C116-P148 HydrophobicContact CB-CG 3.85Å; P148-G150 PolarHBondContact O-N 3.1Å; P148-M151 PolarHBondContact O-N 3.05Å; P148-I152 WeakPolarHBondContact O-CB 3.21Å; P148-I152 VanDerWaalsContact O-CD1 3.29Å; P148-I152 WeakPolarHBondContact O-CD1 3.38Å; P148-I152 WeakPolarHBondContact O-CG1 3.5Å; P148-I152 PolarHBondContact O-N 2.88Å; P148-T224 HydrophobicContact CB-CG2 3.66Å
149	C	89.1	Confident	86.2	Confident	3 Å²	3	22.2 Å²	22.2	2%	0.02	11%	0.112	C	C	.	.	H	α-helix	trans	-62.8	-40.3	178.5	-97.9	0	0	0	0	112.5	M29 C116 Y129 Q147 F153	M29-C149 HydrophobicContact CE-CB 4.41Å; C116-C149 WeakPolarHBondContact CA-SG 3.27Å; C116-C149 HydrophobicContact CB-CB 3.92Å; C116-C149 WeakPolarHBondContact CB-SG 3.49Å; C116-C149 WeakPolarHBondContact SG-CA 3.25Å; C116-C149 WeakPolarHBondContact SG-CB 3.43Å; C116-C149 PolarHBondContact SG-N 3.3Å; C116-C149 CovalentContact SG-SG 2.04Å; C116-C149 PolarHBondContact SG-SG 3.02Å; Y129-C149 HydrophobicContact CE1-CB 4.42Å; Y129-C149 PolarHBondContact OH-SG 2.67Å; Y129-C149 VanDerWaalsContact OH-SG 3.32Å; Q147-C149 VanDerWaalsContact C-N 3.26Å; Q147-C149 PolarHBondContact O-N 2.77Å; Q147-C149 VanDerWaalsContact OE1-CB 3.25Å; C149-F153 VanDerWaalsContact O-CB 3.31Å; C149-F153 WeakPolarHBondContact O-CB 3.43Å; C149-F153 PolarHBondContact O-N 3.38Å
150	G	90.6	Very high	85.8	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-68.3	-44.1	174.3	0	0	0	0	0	112.6	M29 Q147 P148 I152 F153 C154	M29-G150 VanDerWaalsContact SD-CA 3.56Å; Q147-G150 PolarHBondContact O-N 2.81Å; P148-G150 PolarHBondContact O-N 3.1Å; G150-I152 VanDerWaalsContact C-N 3.32Å; G150-I152 PolarHBondContact O-N 3.04Å; G150-F153 PolarHBondContact O-N 3.3Å; G150-F153 VanDerWaalsContact O-N 3.15Å; G150-C154 PolarHBondContact O-N 3.04Å; G150-C154 PolarHBondContact O-SG 3.23Å
151	M	88.9	Confident	85.6	Confident	10 Å²	10	23.5 Å²	23.5	5%	0.049	12%	0.12	C	C	.	.	H	α-helix	trans	-58.2	-44.9	177	-66.2	177.7	70.4	0	0	112	Q147 P148 V155 T240 F243 Y244	Q147-M151 PolarHBondContact O-N 3.32Å; P148-M151 PolarHBondContact O-N 3.05Å; M151-V155 WeakPolarHBondContact O-CG2 3.38Å; M151-V155 PolarHBondContact O-N 3.19Å; M151-T240 HydrophobicContact CE-CG2 3.88Å; M151-F243 HydrophobicContact CB-CD2 4.05Å; M151-F243 HydrophobicContact CB-CE2 4.35Å; M151-F243 HydrophobicContact CB-CG 4.26Å; M151-F243 HydrophobicContact CE-CB 4.23Å; M151-F243 HydrophobicContact CE-CD1 3.83Å; M151-F243 HydrophobicContact CE-CE1 4.46Å; M151-F243 HydrophobicContact CE-CG 4.08Å; M151-F243 HydrophobicContact CG-CD1 4.07Å; M151-F243 HydrophobicContact CG-CD2 3.97Å; M151-F243 HydrophobicContact CG-CE1 4.06Å; M151-F243 HydrophobicContact CG-CE2 3.95Å; M151-F243 HydrophobicContact CG-CG 4.03Å; M151-F243 HydrophobicContact CG-CZ 3.99Å; M151-Y244 HydrophobicContact CE-CE2 3.79Å
152	I	85.7	Confident	85.5	Confident	6 Å²	6	23.9 Å²	23.9	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-57.7	-49.2	173.8	-75.2	163.3	0	0	0	111.3	P148 G150 C154 V155 N156 E228 F230 F235	P148-I152 WeakPolarHBondContact O-CB 3.21Å; P148-I152 VanDerWaalsContact O-CD1 3.29Å; P148-I152 WeakPolarHBondContact O-CD1 3.38Å; P148-I152 WeakPolarHBondContact O-CG1 3.5Å; P148-I152 PolarHBondContact O-N 2.88Å; G150-I152 VanDerWaalsContact C-N 3.32Å; G150-I152 PolarHBondContact O-N 3.04Å; I152-C154 PolarHBondContact O-N 3.37Å; I152-V155 PolarHBondContact O-N 3.27Å; I152-N156 WeakPolarHBondContact O-CB 3.13Å; I152-N156 PolarHBondContact O-N 3.17Å; I152-E228 HydrophobicContact CD1-CB 4.32Å; I152-E228 HydrophobicContact CD1-CG 3.62Å; I152-F230 HydrophobicContact CG2-CE1 4.22Å; I152-F230 HydrophobicContact CG2-CE2 4.49Å; I152-F230 HydrophobicContact CG2-CZ 3.53Å; I152-F235 HydrophobicContact CB-CE2 4.3Å; I152-F235 HydrophobicContact CG1-CD2 3.95Å; I152-F235 HydrophobicContact CG1-CE2 3.64Å; I152-F235 HydrophobicContact CG1-CZ 4.03Å
153	F	86.2	Confident	85.4	Confident	18 Å²	18	23.9 Å²	23.9	8%	0.079	12%	0.122	C	C	.	.	H	α-helix	trans	-63.6	-42.3	-175.4	-171.9	-117.3	0	0	0	111.8	L132 W137 L140 C149 G150 V155 T157	L132-F153 HydrophobicContact CB-CE2 4.36Å; L132-F153 HydrophobicContact CB-CZ 4.42Å; L132-F153 HydrophobicContact CD2-CD1 4.05Å; L132-F153 HydrophobicContact CD2-CD2 4.15Å; L132-F153 HydrophobicContact CD2-CE1 4.24Å; L132-F153 HydrophobicContact CD2-CE2 4.33Å; L132-F153 HydrophobicContact CD2-CG 4.05Å; L132-F153 HydrophobicContact CD2-CZ 4.41Å; L132-F153 HydrophobicContact CG-CD1 4.31Å; L132-F153 HydrophobicContact CG-CD2 4.49Å; L132-F153 HydrophobicContact CG-CE1 3.99Å; L132-F153 HydrophobicContact CG-CE2 4.17Å; L132-F153 HydrophobicContact CG-CZ 3.95Å; L132-F153 WeakPolarHBondContact O-CZ 3.34Å; W137-F153 AromaticContact CD1-CE1 3.97Å; L140-F153 HydrophobicContact CD1-CD1 3.46Å; L140-F153 VanDerWaalsContact CD1-CD1 3.46Å; L140-F153 HydrophobicContact CD1-CE1 3.75Å; L140-F153 HydrophobicContact CD2-CD1 4.19Å; L140-F153 HydrophobicContact CD2-CE1 3.89Å; L140-F153 HydrophobicContact CG-CD1 4.49Å; L140-F153 HydrophobicContact CG-CE1 4.46Å; C149-F153 VanDerWaalsContact O-CB 3.31Å; C149-F153 WeakPolarHBondContact O-CB 3.43Å; C149-F153 PolarHBondContact O-N 3.38Å; G150-F153 PolarHBondContact O-N 3.3Å; G150-F153 VanDerWaalsContact O-N 3.15Å; F153-V155 PolarHBondContact O-N 3.09Å; F153-T157 WeakPolarHBondContact CD2-OG1 3.18Å; F153-T157 WeakPolarHBondContact CE2-OG1 3.45Å; F153-T157 HydrophobicContact CZ-CG2 4.4Å; F153-T157 WeakPolarHBondContact O-CB 3.33Å; F153-T157 PolarHBondContact O-N 3.16Å; F153-T157 VanDerWaalsContact O-N 3.13Å; F153-T157 PolarHBondContact O-OG1 3.39Å; F153-T157 VanDerWaalsContact O-OG1 3.05Å
154	C	87.5	Confident	85.3	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.007	12%	0.122	C	C	.	.	H	α-helix	trans	-55.6	-46.2	174.5	-70.3	0	0	0	0	113.7	L140 V142 G150 I152 W162 F243	L140-C154 VanDerWaalsContact CD1-SG 3.57Å; V142-C154 VanDerWaalsContact CG2-SG 3.54Å; G150-C154 PolarHBondContact O-N 3.04Å; G150-C154 PolarHBondContact O-SG 3.23Å; I152-C154 PolarHBondContact O-N 3.37Å; C154-W162 HydrophobicContact CB-CB 4.23Å; C154-W162 HydrophobicContact CB-CD2 3.57Å; C154-W162 HydrophobicContact CB-CE3 3.75Å; C154-W162 HydrophobicContact CB-CG 3.79Å; C154-W162 HydrophobicContact CB-CZ2 4.5Å; C154-W162 HydrophobicContact CB-CZ3 4.3Å; C154-W162 WeakPolarHBondContact O-CZ3 3.38Å; C154-W162 WeakPolarHBondContact SG-CB 3.48Å; C154-F243 HydrophobicContact CB-CD2 3.95Å; C154-F243 HydrophobicContact CB-CE2 4.27Å
155	V	83.2	Confident	85.4	Confident	18 Å²	18	23.5 Å²	23.5	11%	0.109	12%	0.119	C	C	.	.	H	α-helix	trans	-91.8	-16.1	-169.8	-56	0	0	0	0	114.1	M151 I152 F153 W162 F235 H239 F243	M151-V155 WeakPolarHBondContact O-CG2 3.38Å; M151-V155 PolarHBondContact O-N 3.19Å; I152-V155 PolarHBondContact O-N 3.27Å; F153-V155 PolarHBondContact O-N 3.09Å; V155-W162 HydrophobicContact CG1-CH2 4.22Å; V155-W162 HydrophobicContact CG1-CZ2 4.17Å; V155-F235 HydrophobicContact CG2-CD2 4.47Å; V155-F235 HydrophobicContact CG2-CE2 3.55Å; V155-F235 HydrophobicContact CG2-CZ 4.26Å; V155-H239 HydrophobicContact CG2-CB 3.92Å; V155-F243 HydrophobicContact CG1-CB 3.96Å
156	N	80.3	Confident	85.5	Confident	61 Å²	61	23.6 Å²	23.6	33%	0.326	12%	0.12	S	C	.	.	H	α-helix	trans	-92.5	-33.4	175.4	-163.7	35.8	0	0	0	112.8	I152 K158 F233	I152-N156 WeakPolarHBondContact O-CB 3.13Å; I152-N156 PolarHBondContact O-N 3.17Å; N156-K158 PolarHBondContact O-N 3.42Å; N156-F233 HydrophobicContact CB-CE1 4.31Å
157	T	78.3	Confident	84.8	Confident	29 Å²	29	22.7 Å²	22.7	18%	0.178	12%	0.117	C	C	.	.	S	Bend	trans	-74.6	120	179.8	-58.2	0	0	0	0	111.4	F153 N159 Q160	F153-T157 WeakPolarHBondContact CD2-OG1 3.18Å; F153-T157 WeakPolarHBondContact CE2-OG1 3.45Å; F153-T157 HydrophobicContact CZ-CG2 4.4Å; F153-T157 WeakPolarHBondContact O-CB 3.33Å; F153-T157 PolarHBondContact O-N 3.16Å; F153-T157 VanDerWaalsContact O-N 3.13Å; F153-T157 PolarHBondContact O-OG1 3.39Å; F153-T157 VanDerWaalsContact O-OG1 3.05Å; T157-N159 PolarHBondContact O-N 2.79Å; T157-Q160 HydrophobicContact CG2-CB 3.88Å; T157-Q160 HydrophobicContact CG2-CG 4.41Å; T157-Q160 WeakPolarHBondContact O-CB 3.27Å; T157-Q160 PolarHBondContact O-N 3.21Å
158	K	72	Confident	83.9	Confident	146 Å²	146	23.2 Å²	23.2	64%	0.635	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	135.9	-178.8	-71	177.7	-178.1	169.9	0	111.1	N156 Q160 F450	N156-K158 PolarHBondContact O-N 3.42Å; K158-Q160 PolarHBondContact O-N 2.87Å; K158-Q160 VanDerWaalsContact O-N 3.08Å; K158-F450 HydrophobicContact CG-CD2 4.25Å; K158-F450 HydrophobicContact CG-CG 4.34Å
159	N	74.9	Confident	82.8	Confident	126 Å²	126	23.6 Å²	23.6	67%	0.674	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	14.1	178.3	-55.6	-17.6	0	0	0	115.2	T157 A161	T157-N159 PolarHBondContact O-N 2.79Å; N159-A161 PolarHBondContact O-N 3.24Å
160	Q	85.5	Confident	81.6	Confident	14 Å²	14	24.2 Å²	24.2	7%	0.065	13%	0.125	C	C	.	.			trans	-69.8	131.6	174.9	-170.7	56.1	70.6	0	0	110.5	W137 L140 T157 K158 W162	W137-Q160 PolarHBondContact O-NE2 3.47Å; W137-Q160 PolarHBondContact O-OE1 3.17Å; L140-Q160 HydrophobicContact CD1-CG 3.39Å; L140-Q160 HydrophobicContact CG-CG 3.71Å; T157-Q160 HydrophobicContact CG2-CB 3.88Å; T157-Q160 HydrophobicContact CG2-CG 4.41Å; T157-Q160 WeakPolarHBondContact O-CB 3.27Å; T157-Q160 PolarHBondContact O-N 3.21Å; K158-Q160 PolarHBondContact O-N 2.87Å; K158-Q160 VanDerWaalsContact O-N 3.08Å; Q160-W162 VanDerWaalsContact O-CE3 3.26Å; Q160-W162 WeakPolarHBondContact O-CZ3 3.4Å
161	A	89.1	Confident	80.5	Confident	13 Å²	13	25 Å²	25	11%	0.107	13%	0.128	C	C	.	.			trans	-91.2	142.6	168.3	0	0	0	0	0	110.3	L139 L140 N159 V248 Y433	L139-A161 HydrophobicContact CD1-CB 3.98Å; L140-A161 PolarHBondContact N-O 3.26Å; N159-A161 PolarHBondContact O-N 3.24Å; A161-V248 HydrophobicContact CB-CG2 4.28Å; A161-Y433 HydrophobicContact CB-CE1 3.72Å; A161-Y433 WeakPolarHBondContact CB-OH 3.36Å
162	W	91.7	Very high	79.6	Confident	7 Å²	7	24.8 Å²	24.8	3%	0.027	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	159.1	174.6	69.4	93	0	0	0	113.7	L140 C154 V155 Q160 A242 F243 N246 V248	L140-W162 HydrophobicContact CB-CB 3.9Å; L140-W162 CarbonylContact O-C 3.43Å; L140-W162 WeakPolarHBondContact O-CA 3.39Å; C154-W162 HydrophobicContact CB-CB 4.23Å; C154-W162 HydrophobicContact CB-CD2 3.57Å; C154-W162 HydrophobicContact CB-CE3 3.75Å; C154-W162 HydrophobicContact CB-CG 3.79Å; C154-W162 HydrophobicContact CB-CZ2 4.5Å; C154-W162 HydrophobicContact CB-CZ3 4.3Å; C154-W162 WeakPolarHBondContact O-CZ3 3.38Å; C154-W162 WeakPolarHBondContact SG-CB 3.48Å; V155-W162 HydrophobicContact CG1-CH2 4.22Å; V155-W162 HydrophobicContact CG1-CZ2 4.17Å; Q160-W162 VanDerWaalsContact O-CE3 3.26Å; Q160-W162 WeakPolarHBondContact O-CZ3 3.4Å; W162-A242 WeakPolarHBondContact CZ2-O 3.46Å; W162-F243 AromaticContact CD1-CD2 3.98Å; W162-F243 AromaticContact CD1-CE2 3.82Å; W162-F243 AromaticContact NE1-CD2 3.69Å; W162-F243 AromaticContact NE1-CE2 4Å; W162-F243 PolarHBondContact NE1-O 3.1Å; W162-N246 HydrophobicContact CH2-CB 3.92Å; W162-N246 HydrophobicContact CZ2-CB 3.74Å; W162-V248 PolarHBondContact O-N 3.41Å
163	I	90.9	Very high	78.7	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.5	170	-71.5	175.4	0	0	0	108.8	L139 L140 I141 V142 Y165 V248 Y249 L251 I430	L139-I163 HydrophobicContact CD1-CD1 4.49Å; L139-I163 HydrophobicContact CD1-CG1 4.26Å; L139-I163 HydrophobicContact CD2-CD1 3.92Å; L140-I163 PolarHBondContact O-N 3.08Å; I141-I163 HydrophobicContact CG1-CB 4.36Å; I141-I163 HydrophobicContact CG2-CG2 4.47Å; V142-I163 PolarHBondContact N-O 2.89Å; I163-Y165 PolarHBondContact O-N 3.15Å; I163-V248 HydrophobicContact CG1-CB 4.5Å; I163-Y249 WeakPolarHBondContact CA-O 3.29Å; I163-Y249 HydrophobicContact CD1-CD2 3.99Å; I163-Y249 HydrophobicContact CG1-CD2 4.39Å; I163-L251 HydrophobicContact CD1-CD1 4.44Å; I163-L251 HydrophobicContact CG2-CB 4.12Å; I163-L251 HydrophobicContact CG2-CD1 3.68Å; I163-L251 HydrophobicContact CG2-CG 3.62Å; I163-I430 HydrophobicContact CD1-CD1 4.3Å; I163-I430 HydrophobicContact CD1-CG1 3.6Å
164	D	88.8	Confident	78	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	102.5	169.7	168.7	7	0	0	0	108.9	S144 R178 F243 Y244 A247 Y249 S250 L251	S144-D164 WeakPolarHBondContact CB-OD1 3.4Å; S144-D164 PolarHBondContact OG-OD1 2.83Å; D164-R178 IonicContact OD1-CZ 3.76Å; D164-R178 IonicContact OD1-NH2 3.82Å; D164-R178 PolarHBondContact OD1-NH2 3.24Å; D164-R178 IonicContact OD2-CZ 2.72Å; D164-R178 IonicContact OD2-NE 2.69Å; D164-R178 PolarHBondContact OD2-NE 3.17Å; D164-R178 IonicContact OD2-NH2 2.74Å; D164-R178 PolarHBondContact OD2-NH2 2.91Å; D164-F243 HydrophobicContact CB-CE1 4.17Å; D164-F243 HydrophobicContact CB-CZ 4.38Å; D164-Y244 WeakPolarHBondContact OD2-CD1 3.43Å; D164-A247 HydrophobicContact CB-CB 3.82Å; D164-Y249 PolarHBondContact N-O 3.41Å; D164-S250 CarbonylContact O-C 3.57Å; D164-S250 VanDerWaalsContact O-CA 3.24Å; D164-S250 WeakPolarHBondContact O-CA 3.28Å; D164-S250 PolarHBondContact O-OG 2.98Å; D164-L251 PolarHBondContact O-N 3.49Å
165	Y	88.4	Confident	77.1	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	140.7	177	-163.6	-90.5	0	0	0	110.4	S40 M41 L44 I141 V142 D143 S144 I163 T167 L251 L271 Y273	S40-Y165 PolarHBondContact O-OH 2.86Å; M41-Y165 HydrophobicContact CE-CD1 3.45Å; M41-Y165 VanDerWaalsContact CE-CD1 3.45Å; M41-Y165 HydrophobicContact CE-CD2 4.11Å; M41-Y165 HydrophobicContact CE-CE1 3.9Å; M41-Y165 HydrophobicContact CE-CE2 4.5Å; M41-Y165 HydrophobicContact CE-CG 3.52Å; M41-Y165 HydrophobicContact CG-CD1 4.08Å; M41-Y165 HydrophobicContact CG-CE1 3.51Å; M41-Y165 HydrophobicContact SD-CD1 4.46Å; M41-Y165 HydrophobicContact SD-CE1 4.45Å; L44-Y165 HydrophobicContact CD2-CD2 4.37Å; L44-Y165 HydrophobicContact CD2-CE2 3.66Å; I141-Y165 HydrophobicContact CG2-CD2 3.76Å; I141-Y165 HydrophobicContact CG2-CG 4.13Å; V142-Y165 WeakPolarHBondContact O-CB 3.43Å; V142-Y165 PolarHBondContact O-N 3.4Å; D143-Y165 CarbonylContact C-O 3.53Å; D143-Y165 VanDerWaalsContact CA-O 3.28Å; D143-Y165 WeakPolarHBondContact CA-O 3.43Å; S144-Y165 PolarHBondContact N-O 3.26Å; S144-Y165 PolarHBondContact OG-O 3.31Å; I163-Y165 PolarHBondContact O-N 3.15Å; Y165-T167 HydrophobicContact CD1-CG2 4.13Å; Y165-T167 HydrophobicContact CE1-CG2 3.9Å; Y165-L251 CarbonylContact C-O 3.53Å; Y165-L251 WeakPolarHBondContact CA-O 3.29Å; Y165-L251 HydrophobicContact CD2-CB 3.69Å; Y165-L251 HydrophobicContact CD2-CD1 3.98Å; Y165-L251 HydrophobicContact CD2-CG 4.47Å; Y165-L251 HydrophobicContact CE2-CB 4.27Å; Y165-L251 HydrophobicContact CE2-CD1 4.31Å; Y165-L251 HydrophobicContact CG-CB 4.44Å; Y165-L271 HydrophobicContact CE2-CD1 3.9Å; Y165-Y273 HydrophobicContact CE1-CE1 4.32Å; Y165-Y273 AromaticContact CE1-CZ 3.94Å; Y165-Y273 HydrophobicContact CE2-CE1 4.46Å; Y165-Y273 AromaticContact CZ-CE1 3.66Å; Y165-Y273 AromaticContact CZ-CZ 3.61Å; Y165-Y273 VanDerWaalsContact CZ-OH 3.24Å; Y165-Y273 WeakPolarHBondContact OH-CE1 3.01Å; Y165-Y273 VanDerWaalsContact OH-CZ 3.31Å; Y165-Y273 PolarHBondContact OH-OH 3.01Å
166	S	82.3	Confident	76.4	Confident	4 Å²	4	27.6 Å²	27.6	3%	0.028	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	99.2	-171.8	-141.1	0	0	0	0	110	S144 T168 R178 L251 G252 S253	S144-S166 WeakPolarHBondContact OG-CB 3.46Å; S144-S166 PolarHBondContact OG-OG 3.41Å; S166-T168 VanDerWaalsContact C-N 3.27Å; S166-T168 PolarHBondContact O-N 2.9Å; S166-T168 PolarHBondContact OG-O 3.23Å; S166-R178 PolarHBondContact OG-NH2 3.42Å; S166-L251 PolarHBondContact N-O 3.32Å; S166-G252 CarbonylContact O-C 3.47Å; S166-S253 PolarHBondContact O-N 3.12Å
167	T	69.5	Low	75.8	Confident	15 Å²	15	28.3 Å²	28.3	9%	0.092	14%	0.135	C	C	.	.	S	Bend	trans	-65.4	-32.6	-179	60.3	0	0	0	0	112	H37 S40 Y165 S253	H37-T167 HydrophobicContact CB-CG2 4.21Å; H37-T167 PolarHBondContact CE1-OG1 2.89Å; H37-T167 PolarHBondContact ND1-OG1 3.24Å; S40-T167 WeakPolarHBondContact OG-CG2 3.46Å; Y165-T167 HydrophobicContact CD1-CG2 4.13Å; Y165-T167 HydrophobicContact CE1-CG2 3.9Å; T167-S253 VanDerWaalsContact O-CB 3.27Å; T167-S253 WeakPolarHBondContact O-CB 3.47Å; T167-S253 PolarHBondContact O-OG 2.84Å
168	T	70	Confident	75.2	Confident	12 Å²	12	27.9 Å²	27.9	7%	0.074	13%	0.13	C	C	.	.	S	Bend	trans	-141.8	152.3	175.3	179.9	0	0	0	0	111	I145 S166 M170 D364	I145-T168 HydrophobicContact CD1-CG2 3.61Å; I145-T168 WeakPolarHBondContact CD1-O 3.35Å; S166-T168 VanDerWaalsContact C-N 3.27Å; S166-T168 PolarHBondContact O-N 2.9Å; S166-T168 PolarHBondContact OG-O 3.23Å; T168-M170 HydrophobicContact CG2-CB 4.17Å; T168-M170 HydrophobicContact CG2-CE 3.9Å; T168-M170 PolarHBondContact O-N 3.01Å; T168-M170 VanDerWaalsContact O-N 3.13Å; T168-D364 PolarHBondContact OG1-OD1 3.04Å; T168-D364 PolarHBondContact OG1-OD2 3.26Å
169	L	66.1	Low	74.5	Confident	13 Å²	13	24.6 Å²	24.6	7%	0.068	13%	0.13	C	C	.	.			trans	-90.8	56.3	-179.5	-69.1	153.6	0	0	0	110.2	F171 L254 M343	L169-F171 VanDerWaalsContact C-N 3.26Å; L169-F171 PolarHBondContact O-N 3.45Å; L169-L254 HydrophobicContact CD1-CB 3.35Å; L169-L254 HydrophobicContact CD1-CD2 4.2Å; L169-L254 HydrophobicContact CD1-CG 4.43Å; L169-M343 HydrophobicContact CB-CE 4.49Å; L169-M343 HydrophobicContact CD1-CE 4.49Å
170	M	63.7	Low	73.9	Confident	16 Å²	16	19.2 Å²	19.2	8%	0.079	10%	0.102	C	C	.	.			trans	-69.4	-23	-176.4	-170.1	177.9	-61.3	0	0	113.5	F105 I145 T168 M190	F105-M170 HydrophobicContact CD1-SD 3.85Å; F105-M170 HydrophobicContact CE1-CE 3.91Å; F105-M170 HydrophobicContact CE1-CG 4.45Å; F105-M170 HydrophobicContact CE1-SD 3.44Å; F105-M170 WeakPolarHBondContact CE1-SD 3.44Å; F105-M170 HydrophobicContact CZ-SD 4.42Å; I145-M170 HydrophobicContact CD1-CB 3.65Å; I145-M170 HydrophobicContact CD1-CE 4.47Å; I145-M170 HydrophobicContact CG2-CE 4.34Å; I145-M170 HydrophobicContact CG2-SD 4.42Å; T168-M170 HydrophobicContact CG2-CB 4.17Å; T168-M170 HydrophobicContact CG2-CE 3.9Å; T168-M170 PolarHBondContact O-N 3.01Å; T168-M170 VanDerWaalsContact O-N 3.13Å; M170-M190 WeakPolarHBondContact O-CE 3.15Å; M170-M190 VanDerWaalsContact O-SD 3.35Å
171	F	68.3	Low	72.9	Confident	15 Å²	15	22.1 Å²	22.1	7%	0.066	12%	0.124	C	C	.	.			trans	-122.8	111.5	177.3	-58.6	-80.7	0	0	0	108.2	I145 L169 S173 V174 E213 F216 I220	I145-F171 HydrophobicContact CG1-CD2 4.31Å; I145-F171 HydrophobicContact CG1-CE2 4.26Å; L169-F171 VanDerWaalsContact C-N 3.26Å; L169-F171 PolarHBondContact O-N 3.45Å; F171-S173 VanDerWaalsContact C-N 3.33Å; F171-V174 HydrophobicContact CB-CG1 4.1Å; F171-V174 HydrophobicContact CB-CG2 4.2Å; F171-V174 WeakPolarHBondContact O-CG2 3.29Å; F171-E213 WeakPolarHBondContact CA-OE1 3.37Å; F171-F216 HydrophobicContact CD1-CD1 4.33Å; F171-F216 HydrophobicContact CD1-CE1 4.28Å; F171-F216 AromaticContact CE1-CD1 3.77Å; F171-F216 HydrophobicContact CE1-CD1 3.77Å; F171-F216 AromaticContact CE1-CE1 3.42Å; F171-F216 HydrophobicContact CE1-CE1 3.42Å; F171-F216 VanDerWaalsContact CE1-CE1 3.42Å; F171-F216 HydrophobicContact CE1-CZ 4.37Å; F171-F216 HydrophobicContact CZ-CE1 4.13Å; F171-I220 HydrophobicContact CE1-CD1 3.47Å; F171-I220 VanDerWaalsContact CE1-CD1 3.47Å; F171-I220 HydrophobicContact CZ-CD1 3.52Å
172	Q	68.1	Low	71.9	Confident	6 Å²	6	22.4 Å²	22.4	3%	0.028	13%	0.125	C	C	.	.	S	Bend	trans	-79.1	-27	175.4	-57.5	173.7	-52.6	0	0	110.1	V174 R175 I187 L188 E213	Q172-V174 VanDerWaalsContact C-N 3.31Å; Q172-V174 PolarHBondContact O-N 3.35Å; Q172-R175 VanDerWaalsContact O-CB 3.25Å; Q172-R175 WeakPolarHBondContact O-CB 3.1Å; Q172-R175 WeakPolarHBondContact O-CD 3.48Å; Q172-R175 VanDerWaalsContact O-CG 3.27Å; Q172-R175 WeakPolarHBondContact O-CG 2.89Å; Q172-R175 PolarHBondContact O-N 3.3Å; Q172-R175 VanDerWaalsContact O-N 3.16Å; Q172-I187 HydrophobicContact CB-CG2 3.96Å; Q172-I187 HydrophobicContact CG-CG2 4.17Å; Q172-L188 PolarHBondContact NE2-O 3.27Å; Q172-L188 PolarHBondContact OE1-O 2.98Å; Q172-E213 WeakPolarHBondContact CB-OE2 3.44Å; Q172-E213 VanDerWaalsContact N-CD 3.32Å; Q172-E213 PolarHBondContact N-OE1 3.28Å; Q172-E213 PolarHBondContact N-OE2 3.43Å
173	S	68.3	Low	71.3	Confident	5 Å²	5	26.3 Å²	26.3	4%	0.035	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-54	-38.5	174.2	55.2	0	0	0	0	113.9	F171 R175 R176 E213	F171-S173 VanDerWaalsContact C-N 3.33Å; S173-R175 PolarHBondContact O-N 3.21Å; S173-R176 PolarHBondContact O-N 2.56Å; S173-E213 WeakPolarHBondContact CB-OE1 3.15Å; S173-E213 PolarHBondContact N-OE1 3.39Å; S173-E213 PolarHBondContact OG-OE1 2.78Å
174	V	71.2	Confident	70.7	Confident	4 Å²	4	27.5 Å²	27.5	2%	0.024	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-65.9	-20.1	-179.1	-61.1	0	0	0	0	113.7	F171 Q172 R176 Y177 R178 Y244	F171-V174 HydrophobicContact CB-CG1 4.1Å; F171-V174 HydrophobicContact CB-CG2 4.2Å; F171-V174 WeakPolarHBondContact O-CG2 3.29Å; Q172-V174 VanDerWaalsContact C-N 3.31Å; Q172-V174 PolarHBondContact O-N 3.35Å; V174-R176 PolarHBondContact O-N 3.1Å; V174-Y177 PolarHBondContact O-N 3.44Å; V174-R178 PolarHBondContact O-N 3.22Å; V174-Y244 HydrophobicContact CB-CD1 3.98Å; V174-Y244 HydrophobicContact CB-CE1 3.8Å; V174-Y244 HydrophobicContact CG1-CD1 4.19Å; V174-Y244 HydrophobicContact CG1-CE1 3.62Å; V174-Y244 HydrophobicContact CG1-CE2 4.17Å; V174-Y244 HydrophobicContact CG2-CE1 4.3Å
175	R	68.9	Low	70.3	Confident	16 Å²	16	29.8 Å²	29.8	6%	0.06	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-60.1	-31.4	178	-62.1	171.1	173.3	-169.1	-13.9	112.6	Q172 S173 Y177 R178 S180 E259	Q172-R175 VanDerWaalsContact O-CB 3.25Å; Q172-R175 WeakPolarHBondContact O-CB 3.1Å; Q172-R175 WeakPolarHBondContact O-CD 3.48Å; Q172-R175 VanDerWaalsContact O-CG 3.27Å; Q172-R175 WeakPolarHBondContact O-CG 2.89Å; Q172-R175 PolarHBondContact O-N 3.3Å; Q172-R175 VanDerWaalsContact O-N 3.16Å; S173-R175 PolarHBondContact O-N 3.21Å; R175-Y177 VanDerWaalsContact C-N 3.26Å; R175-Y177 PolarHBondContact O-N 3.17Å; R175-R178 PolarHBondContact O-N 2.98Å; R175-R178 VanDerWaalsContact O-N 3.09Å; R175-S180 PolarHBondContact O-N 3.42Å; R175-E259 IonicContact CZ-OE1 2.77Å; R175-E259 VanDerWaalsContact CZ-OE1 3.26Å; R175-E259 IonicContact CZ-OE2 3.77Å; R175-E259 IonicContact NH1-OE1 3.57Å; R175-E259 PolarHBondContact NH1-OE1 3.41Å; R175-E259 IonicContact NH1-OE2 2.63Å; R175-E259 IonicContact NH2-OE1 2.66Å; R175-E259 PolarHBondContact NH2-OE1 3.42Å; R175-E259 IonicContact NH2-OE2 2.76Å; R175-E259 PolarHBondContact NH2-OE2 3Å
176	R	67.9	Low	69.7	Low	77 Å²	77	31.4 Å²	31.4	29%	0.291	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-62.1	-34.6	176.3	-61.9	-177.8	-177.1	175.2	5	112.4	S173 V174 R178 S184 D210	S173-R176 PolarHBondContact O-N 2.56Å; V174-R176 PolarHBondContact O-N 3.1Å; R176-R178 VanDerWaalsContact C-N 3.35Å; R176-S184 PolarHBondContact NH2-OG 3.02Å; R176-D210 IonicContact CZ-OD1 2.71Å; R176-D210 IonicContact CZ-OD2 3.46Å; R176-D210 IonicContact NH2-OD1 3.55Å; R176-D210 PolarHBondContact NH2-OD1 3.08Å; R176-D210 IonicContact NH2-OD2 3.26Å; R176-D210 PolarHBondContact NH2-OD2 2.77Å
177	Y	67.5	Low	69.3	Low	76 Å²	76	31.7 Å²	31.7	30%	0.298	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-20.3	176.9	-54.3	-55.3	0	0	0	112.7	V174 R175 A179 W217 Y244 T245	V174-Y177 PolarHBondContact O-N 3.44Å; R175-Y177 VanDerWaalsContact C-N 3.26Å; R175-Y177 PolarHBondContact O-N 3.17Å; Y177-A179 PolarHBondContact O-N 3.12Å; Y177-W217 HydrophobicContact CD2-CZ2 4.47Å; Y177-W217 HydrophobicContact CE2-CH2 4.09Å; Y177-W217 AromaticContact CE2-CZ2 3.79Å; Y177-W217 HydrophobicContact CE2-CZ2 3.79Å; Y177-Y244 VanDerWaalsContact CB-CB 3.46Å; Y177-Y244 HydrophobicContact CD2-CD2 4.33Å; Y177-Y244 HydrophobicContact CD2-CG 4.41Å; Y177-T245 HydrophobicContact CD1-CG2 4.37Å
178	R	66.3	Low	69.6	Low	20 Å²	20	31 Å²	31	8%	0.075	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	15	175.1	-60.3	173.1	178.9	171.1	1	113.4	S144 D164 S166 V174 R175 R176 S180 S250	S144-R178 PolarHBondContact OG-NH2 2.97Å; S144-R178 VanDerWaalsContact OG-NH2 3.08Å; D164-R178 IonicContact OD1-CZ 3.76Å; D164-R178 IonicContact OD1-NH2 3.82Å; D164-R178 PolarHBondContact OD1-NH2 3.24Å; D164-R178 IonicContact OD2-CZ 2.72Å; D164-R178 IonicContact OD2-NE 2.69Å; D164-R178 PolarHBondContact OD2-NE 3.17Å; D164-R178 IonicContact OD2-NH2 2.74Å; D164-R178 PolarHBondContact OD2-NH2 2.91Å; S166-R178 PolarHBondContact OG-NH2 3.42Å; V174-R178 PolarHBondContact O-N 3.22Å; R175-R178 PolarHBondContact O-N 2.98Å; R175-R178 VanDerWaalsContact O-N 3.09Å; R176-R178 VanDerWaalsContact C-N 3.35Å; R178-S180 PolarHBondContact O-N 3.21Å; R178-S250 VanDerWaalsContact CD-OG 3.28Å; R178-S250 WeakPolarHBondContact CD-OG 3.29Å; R178-S250 VanDerWaalsContact CZ-OG 3.24Å; R178-S250 PolarHBondContact NE-OG 2.76Å
179	A	57.6	Low	69.8	Low	77 Å²	77	30.5 Å²	30.5	64%	0.636	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	4.1	-174	0	0	0	0	0	116.6	Y177 S181 T265	Y177-A179 PolarHBondContact O-N 3.12Å; A179-S181 PolarHBondContact O-N 3.21Å; A179-T265 HydrophobicContact CB-CG2 3.99Å
180	S	62.4	Low	69.9	Low	13 Å²	13	30.2 Å²	30.2	9%	0.091	18%	0.18	C	C	.	.			trans	-95.8	65.8	176.6	-57.8	0	0	0	0	110.4	R175 R178	R175-S180 PolarHBondContact O-N 3.42Å; R178-S180 PolarHBondContact O-N 3.21Å
181	S	63.6	Low	70.2	Confident	75 Å²	75	31.1 Å²	31.1	52%	0.524	19%	0.188	S	C	.	.			trans	-88.3	120.7	-176	-178.2	0	0	0	0	112.1	A179	A179-S181 PolarHBondContact O-N 3.21Å
182	V	69.3	Low	70.3	Confident	20 Å²	20	31.1 Å²	31.1	12%	0.121	19%	0.191	C	C	.	.			trans	-113.6	151.3	164.6	-69.7	0	0	0	0	110.5	I187 L262 P263	V182-I187 HydrophobicContact CG2-CD1 4.26Å; V182-I187 HydrophobicContact CG2-CG1 3.67Å; V182-L262 HydrophobicContact CB-CD2 4.37Å; V182-L262 HydrophobicContact CG1-CD2 3.69Å; V182-L262 HydrophobicContact CG2-CD2 3.81Å; V182-P263 HydrophobicContact CG1-CG 4.08Å
183	P	78	Confident	70.2	Confident	89 Å²	89	32.7 Å²	32.7	58%	0.578	20%	0.199	S	C	*	.			trans	-56.8	138.8	173.7	-24.1	34.6	0	0	0	111.6	C185 A186	P183-C185 PolarHBondContact O-N 3.08Å; P183-A186 WeakPolarHBondContact O-CB 3.31Å; P183-A186 PolarHBondContact O-N 2.9Å
184	S	79.6	Confident	70.3	Confident	24 Å²	24	35.9 Å²	35.9	17%	0.168	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-53	-30.5	-178.3	-50.3	0	0	0	0	113.8	R176 A186 I187 S206 D210	R176-S184 PolarHBondContact NH2-OG 3.02Å; S184-A186 PolarHBondContact O-N 2.72Å; S184-I187 WeakPolarHBondContact O-CB 3.22Å; S184-I187 PolarHBondContact O-N 3.13Å; S184-S206 VanDerWaalsContact O-CB 3.32Å; S184-S206 WeakPolarHBondContact O-CB 3.43Å; S184-D210 WeakPolarHBondContact CB-OD2 3.28Å; S184-D210 PolarHBondContact OG-OD2 2.96Å
185	C	80.1	Confident	70.3	Confident	49 Å²	49	36 Å²	36	33%	0.331	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-69.7	-15	177.8	64.1	0	0	0	0	114.7	P183 Y195 R203 V207	P183-C185 PolarHBondContact O-N 3.08Å; C185-Y195 PolarHBondContact O-OH 2.94Å; C185-Y195 VanDerWaalsContact O-OH 3.06Å; C185-R203 HydrophobicContact CB-CB 4.12Å; C185-R203 VanDerWaalsContact O-CG 3.31Å; C185-R203 WeakPolarHBondContact O-CG 2.99Å; C185-V207 HydrophobicContact CB-CG2 3.75Å
186	A	75.5	Confident	70.8	Confident	33 Å²	33	40.8 Å²	40.8	27%	0.273	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-98.2	-12.9	174.6	0	0	0	0	0	112.7	P183 S184	P183-A186 WeakPolarHBondContact O-CB 3.31Å; P183-A186 PolarHBondContact O-N 2.9Å; S184-A186 PolarHBondContact O-N 2.72Å
187	I	73.9	Confident	71.1	Confident	10 Å²	10	40 Å²	40	5%	0.051	25%	0.249	C	C	.	.	S	Bend	trans	-70.2	138.4	177.7	-60.8	-177.7	0	0	0	109.2	Q172 V182 S184 S189 S206	Q172-I187 HydrophobicContact CB-CG2 3.96Å; Q172-I187 HydrophobicContact CG-CG2 4.17Å; V182-I187 HydrophobicContact CG2-CD1 4.26Å; V182-I187 HydrophobicContact CG2-CG1 3.67Å; S184-I187 WeakPolarHBondContact O-CB 3.22Å; S184-I187 PolarHBondContact O-N 3.13Å; I187-S189 PolarHBondContact O-N 3.15Å; I187-S206 WeakPolarHBondContact O-CB 3.37Å; I187-S206 PolarHBondContact O-OG 2.82Å
188	L	74.4	Confident	71.7	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	27%	0.268	C	S	.	.			trans	-84.8	110.1	-179.8	-156.2	138.9	0	0	0	109.6	Q172 Y195 V260 R367 A370 L371 M374	Q172-L188 PolarHBondContact NE2-O 3.27Å; Q172-L188 PolarHBondContact OE1-O 2.98Å; L188-Y195 HydrophobicContact CB-CD1 4.38Å; L188-Y195 HydrophobicContact CD1-CD1 3.44Å; L188-Y195 VanDerWaalsContact CD1-CD1 3.44Å; L188-Y195 HydrophobicContact CD1-CE1 4.15Å; L188-Y195 HydrophobicContact CD1-CG 3.96Å; L188-Y195 HydrophobicContact CG-CD1 3.62Å; L188-Y195 HydrophobicContact CG-CD2 4.47Å; L188-Y195 HydrophobicContact CG-CE1 4.25Å; L188-Y195 HydrophobicContact CG-CG 3.73Å; L188-V260 HydrophobicContact CB-CG2 4.4Å; L188-V260 HydrophobicContact CD1-CG2 4.02Å; L188-R367 HydrophobicContact CD2-CG 3.81Å; L188-A370 HydrophobicContact CD2-CB 3.91Å; L188-L371 HydrophobicContact CD1-CD2 3.79Å; L188-M374 HydrophobicContact CD1-CE 3.67Å; L188-M374 HydrophobicContact CD1-SD 3.91Å
189	S	74.2	Confident	72.6	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.014	28%	0.281	C	S	.	.			trans	-49.8	136.3	-178.3	153.8	0	0	0	0	112.6	I187 S191 A192 F205 D209	I187-S189 PolarHBondContact O-N 3.15Å; S189-S191 PolarHBondContact O-N 3.35Å; S189-S191 PolarHBondContact OG-N 3Å; S189-A192 PolarHBondContact OG-N 3.13Å; S189-F205 VanDerWaalsContact OG-CE1 3.26Å; S189-F205 WeakPolarHBondContact OG-CE1 3.19Å; S189-D209 WeakPolarHBondContact CB-OD2 3.47Å; S189-D209 PolarHBondContact OG-OD2 2.78Å
190	M	68.3	Low	74.1	Confident	6 Å²	6	45.9 Å²	45.9	3%	0.03	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-5.7	173.8	-63	-175.2	76.1	0	0	113.8	L100 M170 D364 I366	L100-M190 HydrophobicContact CD1-CE 4.15Å; L100-M190 HydrophobicContact CD2-SD 4.37Å; M170-M190 WeakPolarHBondContact O-CE 3.15Å; M170-M190 VanDerWaalsContact O-SD 3.35Å; M190-D364 HydrophobicContact CE-CB 4.22Å; M190-I366 WeakPolarHBondContact O-CB 3.2Å; M190-I366 WeakPolarHBondContact O-CG2 3.47Å
191	S	70.2	Confident	75.2	Confident	35 Å²	35	55.1 Å²	55.1	25%	0.245	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-4.7	-175.7	-43	0	0	0	0	113.6	S189 D209	S189-S191 PolarHBondContact O-N 3.35Å; S189-S191 PolarHBondContact OG-N 3Å; S191-D209 WeakPolarHBondContact CB-OD2 3.22Å; S191-D209 PolarHBondContact N-OD2 3.11Å; S191-D209 PolarHBondContact OG-OD1 3.16Å; S191-D209 PolarHBondContact OG-OD2 3.38Å
192	A	71.3	Confident	76.2	Confident	15 Å²	15	53.4 Å²	53.4	12%	0.124	30%	0.296	C	S	.	.			trans	-104.8	113.1	-172.4	0	0	0	0	0	113.2	S189 S194 F205 A370	S189-A192 PolarHBondContact OG-N 3.13Å; A192-S194 PolarHBondContact O-N 3.36Å; A192-F205 HydrophobicContact CB-CD1 4.26Å; A192-F205 HydrophobicContact CB-CE1 4.15Å; A192-A370 VanDerWaalsContact O-CB 3.3Å; A192-A370 WeakPolarHBondContact O-CB 3.45Å
193	D	65.5	Low	77	Confident	40 Å²	40	56.2 Å²	56.2	21%	0.214	31%	0.305	C	S	.	.	S	Bend	trans	-65.5	-8	177.9	-50.6	-23.6	0	0	0	114.9	K98 K373	K98-D193 VanDerWaalsContact CE-OD1 3.32Å; K98-D193 WeakPolarHBondContact CE-OD1 3.42Å; K98-D193 WeakPolarHBondContact CE-OD2 3.12Å; K98-D193 IonicContact NZ-OD1 3.9Å; K98-D193 IonicContact NZ-OD2 3.95Å; K98-D193 PolarHBondContact NZ-OD2 3.01Å; D193-K373 WeakPolarHBondContact O-CD 3.49Å; D193-K373 WeakPolarHBondContact O-CE 3.42Å; D193-K373 PolarHBondContact O-NZ 2.85Å
194	S	70.1	Confident	77.4	Confident	71 Å²	71	56.4 Å²	56.4	50%	0.497	30%	0.301	S	S	.	.	S	Bend	trans	-154.7	124.9	176	56.6	0	0	0	0	109.3	A192	A192-S194 PolarHBondContact O-N 3.36Å
195	Y	72.7	Confident	77.7	Confident	7 Å²	7	59.6 Å²	59.6	3%	0.027	31%	0.312	C	S	.	.			trans	-124.4	139.7	177.4	-176.3	-100.5	0	0	0	110.2	C185 L188 P197 N202 S206 M374	C185-Y195 PolarHBondContact O-OH 2.94Å; C185-Y195 VanDerWaalsContact O-OH 3.06Å; L188-Y195 HydrophobicContact CB-CD1 4.38Å; L188-Y195 HydrophobicContact CD1-CD1 3.44Å; L188-Y195 VanDerWaalsContact CD1-CD1 3.44Å; L188-Y195 HydrophobicContact CD1-CE1 4.15Å; L188-Y195 HydrophobicContact CD1-CG 3.96Å; L188-Y195 HydrophobicContact CG-CD1 3.62Å; L188-Y195 HydrophobicContact CG-CD2 4.47Å; L188-Y195 HydrophobicContact CG-CE1 4.25Å; L188-Y195 HydrophobicContact CG-CG 3.73Å; Y195-P197 HydrophobicContact CD1-CG 4.26Å; Y195-P197 HydrophobicContact CE1-CB 4.17Å; Y195-P197 HydrophobicContact CE1-CG 3.76Å; Y195-N202 HydrophobicContact CD2-CB 3.83Å; Y195-N202 HydrophobicContact CE2-CB 3.85Å; Y195-S206 VanDerWaalsContact CE2-OG 3.28Å; Y195-S206 WeakPolarHBondContact CE2-OG 3.32Å; Y195-M374 HydrophobicContact CD1-SD 4.44Å
196	Q	78.2	Confident	77.9	Confident	117 Å²	117	57.4 Å²	57.4	55%	0.547	30%	0.296	S	S	.	.			trans	-136.9	115.1	171.7	-75.6	-173.4	-20	0	0	107.3	S198 N199 N202	Q196-S198 PolarHBondContact O-N 2.97Å; Q196-N199 HydrophobicContact CB-CB 4.37Å; Q196-N199 PolarHBondContact O-N 3.34Å; Q196-N199 VanDerWaalsContact O-N 3.08Å; Q196-N202 PolarHBondContact N-ND2 2.8Å; Q196-N202 PolarHBondContact O-ND2 2.89Å
197	P	74	Confident	78.4	Confident	60 Å²	60	58.7 Å²	58.7	39%	0.39	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.6	-177.6	-20.3	26.5	0	0	0	113.7	Y195 N199 R203	Y195-P197 HydrophobicContact CD1-CG 4.26Å; Y195-P197 HydrophobicContact CE1-CB 4.17Å; Y195-P197 HydrophobicContact CE1-CG 3.76Å; P197-N199 VanDerWaalsContact C-N 3.3Å; P197-N199 PolarHBondContact O-N 2.96Å; P197-R203 VanDerWaalsContact O-CD 3.29Å; P197-R203 WeakPolarHBondContact O-CD 3.27Å; P197-R203 WeakPolarHBondContact O-CG 3.47Å; P197-R203 PolarHBondContact O-NH1 3.31Å
198	S	81.1	Confident	79	Confident	99 Å²	99	62.1 Å²	62.1	69%	0.692	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.2	178.3	52.4	0	0	0	0	113.7	Q196 R203	Q196-S198 PolarHBondContact O-N 2.97Å; S198-R203 PolarHBondContact O-NH1 3.15Å
199	N	85.4	Confident	79.4	Confident	64 Å²	64	63.1 Å²	63.1	34%	0.342	33%	0.327	S	S	.	.			trans	-84.6	122.6	-177.4	-173.7	-46.9	0	0	0	111.9	Q196 P197 R201 N202 R203	Q196-N199 HydrophobicContact CB-CB 4.37Å; Q196-N199 PolarHBondContact O-N 3.34Å; Q196-N199 VanDerWaalsContact O-N 3.08Å; P197-N199 VanDerWaalsContact C-N 3.3Å; P197-N199 PolarHBondContact O-N 2.96Å; N199-R201 PolarHBondContact O-N 3.4Å; N199-R201 WeakPolarHBondContact OD1-CB 3.24Å; N199-R201 PolarHBondContact OD1-N 3.24Å; N199-N202 HydrophobicContact CB-CB 4.18Å; N199-N202 PolarHBondContact O-N 3.45Å; N199-N202 PolarHBondContact OD1-N 3.32Å; N199-R203 PolarHBondContact O-N 3.09Å; N199-R203 VanDerWaalsContact O-N 3.12Å
200	F	88.1	Confident	79.8	Confident	133 Å²	133	63.2 Å²	63.2	58%	0.583	33%	0.328	S	S	*	.	H	α-helix	trans	-61.6	-37.7	-179	178.7	-97.6	0	0	0	113.9	N202 R203 L204	F200-N202 VanDerWaalsContact C-N 3.34Å; F200-N202 PolarHBondContact O-N 2.89Å; F200-R203 PolarHBondContact O-N 3.4Å; F200-L204 HydrophobicContact CE1-CD2 4.26Å; F200-L204 WeakPolarHBondContact O-CB 3.43Å; F200-L204 PolarHBondContact O-N 3.28Å
201	R	86.4	Confident	80.6	Confident	208 Å²	208	69.5 Å²	69.5	79%	0.785	36%	0.355	S	S	*	.	H	α-helix	trans	-65.1	-39.8	178.7	-69.9	-176	174.7	175.5	-1.5	111.4	N199 L204 F205	N199-R201 PolarHBondContact O-N 3.4Å; N199-R201 WeakPolarHBondContact OD1-CB 3.24Å; N199-R201 PolarHBondContact OD1-N 3.24Å; R201-L204 PolarHBondContact O-N 2.81Å; R201-F205 WeakPolarHBondContact O-CB 3.18Å; R201-F205 PolarHBondContact O-N 3.06Å
202	N	84.3	Confident	81.2	Confident	38 Å²	38	69 Å²	69	20%	0.203	35%	0.353	C	S	.	.	H	α-helix	trans	-62.8	-45.9	174.9	-67.3	-12	0	0	0	111	Y195 Q196 N199 F200 L204 F205 S206	Y195-N202 HydrophobicContact CD2-CB 3.83Å; Y195-N202 HydrophobicContact CE2-CB 3.85Å; Q196-N202 PolarHBondContact N-ND2 2.8Å; Q196-N202 PolarHBondContact O-ND2 2.89Å; N199-N202 HydrophobicContact CB-CB 4.18Å; N199-N202 PolarHBondContact O-N 3.45Å; N199-N202 PolarHBondContact OD1-N 3.32Å; F200-N202 VanDerWaalsContact C-N 3.34Å; F200-N202 PolarHBondContact O-N 2.89Å; N202-L204 PolarHBondContact O-N 3.05Å; N202-F205 PolarHBondContact O-N 3.09Å; N202-S206 PolarHBondContact O-N 2.82Å; N202-S206 PolarHBondContact O-OG 3.41Å
203	R	85.9	Confident	81.6	Confident	79 Å²	79	68.5 Å²	68.5	30%	0.298	35%	0.348	S	S	.	.	H	α-helix	trans	-59.8	-42.8	175.7	-69.4	-159.4	-61	-80.2	3.6	112.8	C185 P197 S198 N199 F200 S206 V207	C185-R203 HydrophobicContact CB-CB 4.12Å; C185-R203 VanDerWaalsContact O-CG 3.31Å; C185-R203 WeakPolarHBondContact O-CG 2.99Å; P197-R203 VanDerWaalsContact O-CD 3.29Å; P197-R203 WeakPolarHBondContact O-CD 3.27Å; P197-R203 WeakPolarHBondContact O-CG 3.47Å; P197-R203 PolarHBondContact O-NH1 3.31Å; S198-R203 PolarHBondContact O-NH1 3.15Å; N199-R203 PolarHBondContact O-N 3.09Å; N199-R203 VanDerWaalsContact O-N 3.12Å; F200-R203 PolarHBondContact O-N 3.4Å; R203-S206 PolarHBondContact O-N 2.82Å; R203-V207 WeakPolarHBondContact O-CG2 3.48Å; R203-V207 PolarHBondContact O-N 2.94Å
204	L	87.2	Confident	82.3	Confident	94 Å²	94	70 Å²	70	49%	0.492	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-42.4	177.2	-179.9	61.4	0	0	0	111.6	F200 R201 N202 S206 V207 V208	F200-L204 HydrophobicContact CE1-CD2 4.26Å; F200-L204 WeakPolarHBondContact O-CB 3.43Å; F200-L204 PolarHBondContact O-N 3.28Å; R201-L204 PolarHBondContact O-N 2.81Å; N202-L204 PolarHBondContact O-N 3.05Å; L204-S206 VanDerWaalsContact C-N 3.33Å; L204-S206 PolarHBondContact O-N 3.05Å; L204-V207 WeakPolarHBondContact O-CB 3.41Å; L204-V207 PolarHBondContact O-N 3.17Å; L204-V207 VanDerWaalsContact O-N 3.15Å; L204-V208 PolarHBondContact O-N 3.12Å
205	F	85.5	Confident	82.9	Confident	91 Å²	91	69.8 Å²	69.8	40%	0.399	35%	0.35	S	S	.	.	H	α-helix	trans	-60.8	-41.9	176.2	-171	-110.1	0	0	0	111.7	S189 A192 R201 N202 V207 V208 D209	S189-F205 VanDerWaalsContact OG-CE1 3.26Å; S189-F205 WeakPolarHBondContact OG-CE1 3.19Å; A192-F205 HydrophobicContact CB-CD1 4.26Å; A192-F205 HydrophobicContact CB-CE1 4.15Å; R201-F205 WeakPolarHBondContact O-CB 3.18Å; R201-F205 PolarHBondContact O-N 3.06Å; N202-F205 PolarHBondContact O-N 3.09Å; F205-V207 VanDerWaalsContact C-N 3.31Å; F205-V207 PolarHBondContact O-N 3.05Å; F205-V208 PolarHBondContact O-N 3.02Å; F205-V208 VanDerWaalsContact O-N 3.15Å; F205-D209 PolarHBondContact O-N 3.37Å
206	S	84.2	Confident	83.2	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.014	35%	0.349	C	S	.	.	H	α-helix	trans	-59.3	-35.8	173.3	-67.9	0	0	0	0	114	S184 I187 Y195 N202 R203 L204 D210	S184-S206 VanDerWaalsContact O-CB 3.32Å; S184-S206 WeakPolarHBondContact O-CB 3.43Å; I187-S206 WeakPolarHBondContact O-CB 3.37Å; I187-S206 PolarHBondContact O-OG 2.82Å; Y195-S206 VanDerWaalsContact CE2-OG 3.28Å; Y195-S206 WeakPolarHBondContact CE2-OG 3.32Å; N202-S206 PolarHBondContact O-N 2.82Å; N202-S206 PolarHBondContact O-OG 3.41Å; R203-S206 PolarHBondContact O-N 2.82Å; L204-S206 VanDerWaalsContact C-N 3.33Å; L204-S206 PolarHBondContact O-N 3.05Å; S206-D210 WeakPolarHBondContact O-CB 3.36Å; S206-D210 PolarHBondContact O-N 2.72Å
207	V	86.3	Confident	83.3	Confident	60 Å²	60	64.5 Å²	64.5	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-65.5	-41.3	174.8	177.5	0	0	0	0	111.3	C185 R203 L204 F205 F211	C185-V207 HydrophobicContact CB-CG2 3.75Å; R203-V207 WeakPolarHBondContact O-CG2 3.48Å; R203-V207 PolarHBondContact O-N 2.94Å; L204-V207 WeakPolarHBondContact O-CB 3.41Å; L204-V207 PolarHBondContact O-N 3.17Å; L204-V207 VanDerWaalsContact O-N 3.15Å; F205-V207 VanDerWaalsContact C-N 3.31Å; F205-V207 PolarHBondContact O-N 3.05Å; V207-F211 PolarHBondContact O-N 3.13Å
208	V	86.8	Confident	83.6	Confident	83 Å²	83	67.3 Å²	67.3	50%	0.503	33%	0.331	S	S	.	.	H	α-helix	trans	-67.9	-43.9	177.8	176.8	0	0	0	0	111	L204 F205 F211 A212	L204-V208 PolarHBondContact O-N 3.12Å; F205-V208 PolarHBondContact O-N 3.02Å; F205-V208 VanDerWaalsContact O-N 3.15Å; V208-F211 PolarHBondContact O-N 2.98Å; V208-A212 WeakPolarHBondContact O-CB 3.42Å; V208-A212 PolarHBondContact O-N 2.9Å
209	D	82.2	Confident	83.5	Confident	21 Å²	21	65.2 Å²	65.2	11%	0.112	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-41.5	178.2	-108.1	10.8	0	0	0	112	S189 S191 F205 A212 E213	S189-D209 WeakPolarHBondContact CB-OD2 3.47Å; S189-D209 PolarHBondContact OG-OD2 2.78Å; S191-D209 WeakPolarHBondContact CB-OD2 3.22Å; S191-D209 PolarHBondContact N-OD2 3.11Å; S191-D209 PolarHBondContact OG-OD1 3.16Å; S191-D209 PolarHBondContact OG-OD2 3.38Å; F205-D209 PolarHBondContact O-N 3.37Å; D209-A212 CarbonylContact O-C 3.52Å; D209-A212 PolarHBondContact O-N 3.26Å; D209-E213 WeakPolarHBondContact O-CB 3.46Å; D209-E213 PolarHBondContact O-N 3.49Å
210	D	82.4	Confident	83.1	Confident	5 Å²	5	63 Å²	63	3%	0.027	30%	0.299	C	S	.	.	H	α-helix	trans	-65.1	-37.9	175.4	166.3	92.6	0	0	0	112.8	R176 S184 S206 E213 Q214	R176-D210 IonicContact CZ-OD1 2.71Å; R176-D210 IonicContact CZ-OD2 3.46Å; R176-D210 IonicContact NH2-OD1 3.55Å; R176-D210 PolarHBondContact NH2-OD1 3.08Å; R176-D210 IonicContact NH2-OD2 3.26Å; R176-D210 PolarHBondContact NH2-OD2 2.77Å; S184-D210 WeakPolarHBondContact CB-OD2 3.28Å; S184-D210 PolarHBondContact OG-OD2 2.96Å; S206-D210 WeakPolarHBondContact O-CB 3.36Å; S206-D210 PolarHBondContact O-N 2.72Å; D210-E213 PolarHBondContact O-N 3.34Å; D210-Q214 WeakPolarHBondContact O-CG 3.32Å; D210-Q214 PolarHBondContact O-N 2.89Å; D210-Q214 PolarHBondContact O-NE2 2.99Å; D210-Q214 PolarHBondContact OD2-NE2 3.43Å
211	F	84.4	Confident	82.6	Confident	137 Å²	137	56.8 Å²	56.8	60%	0.601	27%	0.272	S	S	*	.	H	α-helix	trans	-63.2	-45.7	171.1	176.9	-99.2	0	0	0	111.1	V207 V208 E213 Q214 V215	V207-F211 PolarHBondContact O-N 3.13Å; V208-F211 PolarHBondContact O-N 2.98Å; F211-E213 VanDerWaalsContact C-N 3.3Å; F211-E213 PolarHBondContact O-N 3.4Å; F211-Q214 PolarHBondContact O-N 2.99Å; F211-V215 HydrophobicContact CE1-CG2 4.15Å; F211-V215 HydrophobicContact CZ-CG2 4.22Å; F211-V215 PolarHBondContact O-N 2.65Å; F211-V215 VanDerWaalsContact O-N 3.12Å
212	A	82.8	Confident	82.3	Confident	24 Å²	24	48.4 Å²	48.4	20%	0.198	25%	0.248	C	C	.	.	H	α-helix	trans	-68.9	-27.3	178.3	0	0	0	0	0	112.8	R102 V208 D209 F216	R102-A212 VanDerWaalsContact NH2-CB 3.28Å; V208-A212 WeakPolarHBondContact O-CB 3.42Å; V208-A212 PolarHBondContact O-N 2.9Å; D209-A212 CarbonylContact O-C 3.52Å; D209-A212 PolarHBondContact O-N 3.26Å; A212-F216 VanDerWaalsContact O-CB 3.29Å; A212-F216 WeakPolarHBondContact O-CB 3.24Å; A212-F216 PolarHBondContact O-N 2.82Å; A212-F216 VanDerWaalsContact O-N 3.08Å
213	E	80.1	Confident	82	Confident	5 Å²	5	48.6 Å²	48.6	2%	0.023	25%	0.247	C	C	.	.	H	α-helix	trans	-70.5	-38.9	170.1	-156.6	-149	117	0	0	111.7	F171 Q172 S173 D209 D210 F211 V215 F216 W217	F171-E213 WeakPolarHBondContact CA-OE1 3.37Å; Q172-E213 WeakPolarHBondContact CB-OE2 3.44Å; Q172-E213 VanDerWaalsContact N-CD 3.32Å; Q172-E213 PolarHBondContact N-OE1 3.28Å; Q172-E213 PolarHBondContact N-OE2 3.43Å; S173-E213 WeakPolarHBondContact CB-OE1 3.15Å; S173-E213 PolarHBondContact N-OE1 3.39Å; S173-E213 PolarHBondContact OG-OE1 2.78Å; D209-E213 WeakPolarHBondContact O-CB 3.46Å; D209-E213 PolarHBondContact O-N 3.49Å; D210-E213 PolarHBondContact O-N 3.34Å; F211-E213 VanDerWaalsContact C-N 3.3Å; F211-E213 PolarHBondContact O-N 3.4Å; E213-V215 PolarHBondContact O-N 3.45Å; E213-F216 WeakPolarHBondContact O-CB 3.27Å; E213-F216 PolarHBondContact O-N 3.33Å; E213-W217 WeakPolarHBondContact O-CB 3.19Å; E213-W217 PolarHBondContact O-N 2.89Å
214	Q	80.5	Confident	81.6	Confident	71 Å²	71	45.1 Å²	45.1	33%	0.332	24%	0.235	S	C	.	.	H	α-helix	trans	-63.3	-40.6	174.6	-73.8	169.8	82.5	0	0	112.3	D210 F211 W217 F218	D210-Q214 WeakPolarHBondContact O-CG 3.32Å; D210-Q214 PolarHBondContact O-N 2.89Å; D210-Q214 PolarHBondContact O-NE2 2.99Å; D210-Q214 PolarHBondContact OD2-NE2 3.43Å; F211-Q214 PolarHBondContact O-N 2.99Å; Q214-W217 PolarHBondContact O-N 3.19Å; Q214-F218 WeakPolarHBondContact O-CB 3.09Å; Q214-F218 PolarHBondContact O-N 2.86Å
215	V	82.6	Confident	81.2	Confident	68 Å²	68	42.6 Å²	42.6	41%	0.412	22%	0.221	S	C	.	.	H	α-helix	trans	-63.8	-42.4	173.2	175.3	0	0	0	0	111.1	F211 E213 F218 I219	F211-V215 HydrophobicContact CE1-CG2 4.15Å; F211-V215 HydrophobicContact CZ-CG2 4.22Å; F211-V215 PolarHBondContact O-N 2.65Å; F211-V215 VanDerWaalsContact O-N 3.12Å; E213-V215 PolarHBondContact O-N 3.45Å; V215-F218 PolarHBondContact O-N 3.15Å; V215-I219 HydrophobicContact CG1-CD1 4.15Å; V215-I219 WeakPolarHBondContact O-CG1 3.39Å; V215-I219 PolarHBondContact O-N 3.15Å; V215-I219 VanDerWaalsContact O-N 3.17Å
216	F	79.7	Confident	80.7	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.009	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-45.4	175.6	176.6	-116.9	0	0	0	112.1	L100 R102 F105 F106 F171 A212 E213 F218 I219 I220	L100-F216 HydrophobicContact CD2-CE1 4.35Å; R102-F216 HydrophobicContact CB-CD2 3.78Å; R102-F216 HydrophobicContact CB-CE2 3.67Å; R102-F216 HydrophobicContact CG-CD2 3.63Å; R102-F216 HydrophobicContact CG-CE2 3.77Å; R102-F216 HydrophobicContact CG-CG 4.19Å; R102-F216 HydrophobicContact CG-CZ 4.36Å; F105-F216 HydrophobicContact CB-CE2 3.98Å; F105-F216 HydrophobicContact CB-CZ 3.53Å; F105-F216 HydrophobicContact CG-CZ 4.12Å; F106-F216 AromaticContact CD1-CD2 3.93Å; F106-F216 HydrophobicContact CD1-CD2 3.93Å; F106-F216 AromaticContact CD1-CE2 3.79Å; F106-F216 HydrophobicContact CD1-CE2 3.79Å; F106-F216 HydrophobicContact CD2-CE2 4.47Å; F106-F216 AromaticContact CE1-CD2 3.26Å; F106-F216 HydrophobicContact CE1-CD2 3.26Å; F106-F216 AromaticContact CE1-CE2 3.63Å; F106-F216 HydrophobicContact CE1-CE2 3.63Å; F106-F216 HydrophobicContact CE1-CG 4.23Å; F106-F216 HydrophobicContact CE2-CD2 4.03Å; F106-F216 HydrophobicContact CE2-CE2 4.37Å; F106-F216 HydrophobicContact CG-CE2 4.22Å; F106-F216 AromaticContact CZ-CD2 3.36Å; F106-F216 HydrophobicContact CZ-CD2 3.36Å; F106-F216 AromaticContact CZ-CE2 3.98Å; F106-F216 HydrophobicContact CZ-CE2 3.98Å; F106-F216 HydrophobicContact CZ-CG 4.38Å; F171-F216 HydrophobicContact CD1-CD1 4.33Å; F171-F216 HydrophobicContact CD1-CE1 4.28Å; F171-F216 AromaticContact CE1-CD1 3.77Å; F171-F216 HydrophobicContact CE1-CD1 3.77Å; F171-F216 AromaticContact CE1-CE1 3.42Å; F171-F216 HydrophobicContact CE1-CE1 3.42Å; F171-F216 VanDerWaalsContact CE1-CE1 3.42Å; F171-F216 HydrophobicContact CE1-CZ 4.37Å; F171-F216 HydrophobicContact CZ-CE1 4.13Å; A212-F216 VanDerWaalsContact O-CB 3.29Å; A212-F216 WeakPolarHBondContact O-CB 3.24Å; A212-F216 PolarHBondContact O-N 2.82Å; A212-F216 VanDerWaalsContact O-N 3.08Å; E213-F216 WeakPolarHBondContact O-CB 3.27Å; E213-F216 PolarHBondContact O-N 3.33Å; F216-F218 PolarHBondContact O-N 3.02Å; F216-I219 PolarHBondContact O-N 3.31Å; F216-I220 HydrophobicContact CD1-CD1 4.19Å; F216-I220 HydrophobicContact CD2-CD1 4.47Å; F216-I220 HydrophobicContact CE1-CD1 3.84Å; F216-I220 HydrophobicContact CE2-CD1 4.09Å; F216-I220 HydrophobicContact CG-CD1 4.49Å; F216-I220 HydrophobicContact CZ-CD1 3.76Å; F216-I220 PolarHBondContact O-N 3.22Å; F216-I220 VanDerWaalsContact O-N 3.12Å
217	W	78.5	Confident	80.2	Confident	11 Å²	11	47 Å²	47	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-62.5	-40	174.9	-173.1	98.2	0	0	0	112.2	Y177 E213 Q214 I220 N221 I237 T240 N241 Y244	Y177-W217 HydrophobicContact CD2-CZ2 4.47Å; Y177-W217 HydrophobicContact CE2-CH2 4.09Å; Y177-W217 AromaticContact CE2-CZ2 3.79Å; Y177-W217 HydrophobicContact CE2-CZ2 3.79Å; E213-W217 WeakPolarHBondContact O-CB 3.19Å; E213-W217 PolarHBondContact O-N 2.89Å; Q214-W217 PolarHBondContact O-N 3.19Å; W217-I220 PolarHBondContact O-N 2.88Å; W217-N221 HydrophobicContact CH2-CB 4.49Å; W217-N221 WeakPolarHBondContact CH2-ND2 3.38Å; W217-N221 VanDerWaalsContact CZ2-ND2 3.31Å; W217-N221 WeakPolarHBondContact CZ2-ND2 3.18Å; W217-N221 HydrophobicContact CZ3-CB 4.31Å; W217-N221 PolarHBondContact O-N 2.5Å; W217-N221 VanDerWaalsContact O-N 3.12Å; W217-N221 PolarHBondContact O-ND2 3.38Å; W217-I237 HydrophobicContact CZ3-CD1 4.24Å; W217-I237 HydrophobicContact CZ3-CG1 4.25Å; W217-T240 HydrophobicContact CH2-CG2 3.49Å; W217-T240 VanDerWaalsContact CH2-CG2 3.49Å; W217-T240 HydrophobicContact CZ2-CG2 3.54Å; W217-N241 WeakPolarHBondContact CH2-OD1 3.41Å; W217-Y244 HydrophobicContact CZ2-CD2 4.35Å; W217-Y244 AromaticContact CZ2-CE2 3.92Å; W217-Y244 HydrophobicContact CZ2-CE2 3.92Å
218	F	80.9	Confident	79.3	Confident	118 Å²	118	44.2 Å²	44.2	52%	0.518	23%	0.229	S	C	.	.	H	α-helix	trans	-60.5	-46.4	176.8	176.6	-94.2	0	0	0	112	Q214 V215 F216 N221 A222 I237	Q214-F218 WeakPolarHBondContact O-CB 3.09Å; Q214-F218 PolarHBondContact O-N 2.86Å; V215-F218 PolarHBondContact O-N 3.15Å; F216-F218 PolarHBondContact O-N 3.02Å; F218-N221 PolarHBondContact O-N 3.49Å; F218-A222 PolarHBondContact O-N 3.38Å; F218-I237 HydrophobicContact CD2-CD1 3.64Å; F218-I237 HydrophobicContact CE2-CD1 3.78Å
219	I	78.8	Confident	78	Confident	56 Å²	56	50 Å²	50	29%	0.287	24%	0.242	S	C	.	.	H	α-helix	trans	-65.4	-42	179.7	-67.4	161.6	0	0	0	111.3	F106 V215 F216 N221 A222 H223	F106-I219 HydrophobicContact CD1-CB 4.35Å; F106-I219 HydrophobicContact CD1-CG2 3.73Å; F106-I219 HydrophobicContact CE1-CB 3.52Å; F106-I219 HydrophobicContact CE1-CD1 4.19Å; F106-I219 HydrophobicContact CE1-CG1 4.47Å; F106-I219 HydrophobicContact CE1-CG2 3.34Å; F106-I219 HydrophobicContact CE2-CD1 4.45Å; F106-I219 HydrophobicContact CG-CG2 4.49Å; F106-I219 HydrophobicContact CZ-CB 3.91Å; F106-I219 HydrophobicContact CZ-CD1 3.63Å; F106-I219 HydrophobicContact CZ-CG1 4.38Å; F106-I219 HydrophobicContact CZ-CG2 3.79Å; V215-I219 HydrophobicContact CG1-CD1 4.15Å; V215-I219 WeakPolarHBondContact O-CG1 3.39Å; V215-I219 PolarHBondContact O-N 3.15Å; V215-I219 VanDerWaalsContact O-N 3.17Å; F216-I219 PolarHBondContact O-N 3.31Å; I219-N221 VanDerWaalsContact C-N 3.25Å; I219-N221 PolarHBondContact O-N 2.75Å; I219-A222 WeakPolarHBondContact O-CB 3.47Å; I219-A222 PolarHBondContact O-N 2.79Å; I219-H223 PolarHBondContact O-N 3.24Å
220	I	76.6	Confident	76.9	Confident	16 Å²	16	51.3 Å²	51.3	8%	0.082	25%	0.246	C	C	.	.	H	α-helix	trans	-53.9	-44.3	173.6	-81.5	173.2	0	0	0	111.3	F106 S109 F171 F216 W217 H223 T224	F106-I220 HydrophobicContact CD1-CG1 4.09Å; F106-I220 HydrophobicContact CE1-CG1 4.28Å; S109-I220 WeakPolarHBondContact OG-CG2 3.32Å; F171-I220 HydrophobicContact CE1-CD1 3.47Å; F171-I220 VanDerWaalsContact CE1-CD1 3.47Å; F171-I220 HydrophobicContact CZ-CD1 3.52Å; F216-I220 HydrophobicContact CD1-CD1 4.19Å; F216-I220 HydrophobicContact CD2-CD1 4.47Å; F216-I220 HydrophobicContact CE1-CD1 3.84Å; F216-I220 HydrophobicContact CE2-CD1 4.09Å; F216-I220 HydrophobicContact CG-CD1 4.49Å; F216-I220 HydrophobicContact CZ-CD1 3.76Å; F216-I220 PolarHBondContact O-N 3.22Å; F216-I220 VanDerWaalsContact O-N 3.12Å; W217-I220 PolarHBondContact O-N 2.88Å; I220-H223 WeakPolarHBondContact O-CB 3.15Å; I220-H223 PolarHBondContact O-N 3.34Å; I220-T224 PolarHBondContact O-N 3.11Å
221	N	79.3	Confident	75.5	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-78.3	-30.9	-179.5	-72.3	-69.8	0	0	0	113.2	W217 F218 I219 H223 T224 I225 T240	W217-N221 HydrophobicContact CH2-CB 4.49Å; W217-N221 WeakPolarHBondContact CH2-ND2 3.38Å; W217-N221 VanDerWaalsContact CZ2-ND2 3.31Å; W217-N221 WeakPolarHBondContact CZ2-ND2 3.18Å; W217-N221 HydrophobicContact CZ3-CB 4.31Å; W217-N221 PolarHBondContact O-N 2.5Å; W217-N221 VanDerWaalsContact O-N 3.12Å; W217-N221 PolarHBondContact O-ND2 3.38Å; F218-N221 PolarHBondContact O-N 3.49Å; I219-N221 VanDerWaalsContact C-N 3.25Å; I219-N221 PolarHBondContact O-N 2.75Å; N221-H223 PolarHBondContact O-N 3.24Å; N221-T224 PolarHBondContact O-N 3.31Å; N221-I225 WeakPolarHBondContact O-CB 3.33Å; N221-I225 VanDerWaalsContact O-CD1 3.26Å; N221-I225 WeakPolarHBondContact O-CD1 3.34Å; N221-I225 WeakPolarHBondContact O-CG1 3.22Å; N221-I225 PolarHBondContact O-N 3.49Å; N221-T240 HydrophobicContact CB-CG2 4.23Å; N221-T240 VanDerWaalsContact CG-CG2 3.43Å; N221-T240 WeakPolarHBondContact OD1-CG2 3.3Å
222	A	80.1	Confident	74.3	Confident	32 Å²	32	62 Å²	62	26%	0.264	30%	0.303	S	S	.	.	H	α-helix	trans	-57.7	-38.9	168.9	0	0	0	0	0	111.4	F218 I219 I225 M226	F218-A222 PolarHBondContact O-N 3.38Å; I219-A222 WeakPolarHBondContact O-CB 3.47Å; I219-A222 PolarHBondContact O-N 2.79Å; A222-I225 PolarHBondContact O-N 3.17Å; A222-M226 VanDerWaalsContact O-CB 3.28Å; A222-M226 WeakPolarHBondContact O-CB 3.48Å; A222-M226 WeakPolarHBondContact O-CG 3.17Å; A222-M226 PolarHBondContact O-N 3.09Å
223	H	78.2	Confident	73.5	Confident	41 Å²	41	62.2 Å²	62.2	19%	0.19	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-47.3	174.5	-62.7	166.8	0	0	0	112.8	W110 I219 I220 N221 I225 L227	W110-H223 HydrophobicContact CE3-CB 3.73Å; W110-H223 AromaticContact CE3-CD2 3.57Å; W110-H223 AromaticContact CE3-CG 3.55Å; W110-H223 HydrophobicContact CZ3-CB 4.2Å; W110-H223 AromaticContact CZ3-CD2 3.88Å; I219-H223 PolarHBondContact O-N 3.24Å; I220-H223 WeakPolarHBondContact O-CB 3.15Å; I220-H223 PolarHBondContact O-N 3.34Å; N221-H223 PolarHBondContact O-N 3.24Å; H223-I225 VanDerWaalsContact C-N 3.35Å; H223-I225 PolarHBondContact O-N 3.43Å; H223-L227 PolarHBondContact O-N 3.16Å
224	T	76	Confident	73	Confident	7 Å²	7	66.5 Å²	66.5	4%	0.043	33%	0.326	C	S	.	.	H	α-helix	trans	-61.8	-41.8	175.3	-53.3	0	0	0	0	111.7	S113 P148 I220 N221 E228 F235	S113-T224 PolarHBondContact OG-OG1 2.94Å; P148-T224 HydrophobicContact CB-CG2 3.66Å; I220-T224 PolarHBondContact O-N 3.11Å; N221-T224 PolarHBondContact O-N 3.31Å; T224-E228 VanDerWaalsContact O-CB 3.26Å; T224-E228 WeakPolarHBondContact O-CB 3.13Å; T224-E228 WeakPolarHBondContact O-CG 3.35Å; T224-F235 HydrophobicContact CG2-CD1 4.47Å; T224-F235 HydrophobicContact CG2-CE1 4.07Å
225	I	79	Confident	72.8	Confident	40 Å²	40	63.3 Å²	63.3	21%	0.205	31%	0.311	C	S	.	.	H	α-helix	trans	-66.9	-45.7	-179.9	-69.8	159.1	0	0	0	111.9	N221 A222 H223 L227 E228 F235 I237	N221-I225 WeakPolarHBondContact O-CB 3.33Å; N221-I225 VanDerWaalsContact O-CD1 3.26Å; N221-I225 WeakPolarHBondContact O-CD1 3.34Å; N221-I225 WeakPolarHBondContact O-CG1 3.22Å; N221-I225 PolarHBondContact O-N 3.49Å; A222-I225 PolarHBondContact O-N 3.17Å; H223-I225 VanDerWaalsContact C-N 3.35Å; H223-I225 PolarHBondContact O-N 3.43Å; I225-L227 VanDerWaalsContact C-N 3.3Å; I225-L227 PolarHBondContact O-N 3.12Å; I225-E228 PolarHBondContact O-N 3.39Å; I225-E228 VanDerWaalsContact O-N 3.16Å; I225-F235 HydrophobicContact CG1-CD1 3.79Å; I225-F235 HydrophobicContact CG1-CE1 4.3Å; I225-I237 HydrophobicContact CD1-CB 3.91Å; I225-I237 VanDerWaalsContact CD1-N 3.31Å
226	M	75.6	Confident	72.7	Confident	152 Å²	152	61 Å²	61	75%	0.749	30%	0.298	S	S	*	.	H	α-helix	trans	-65.2	-31.1	-172.8	-77.5	-71.7	-71	0	0	113.5	A222 E228	A222-M226 VanDerWaalsContact O-CB 3.28Å; A222-M226 WeakPolarHBondContact O-CB 3.48Å; A222-M226 WeakPolarHBondContact O-CG 3.17Å; A222-M226 PolarHBondContact O-N 3.09Å; M226-E228 VanDerWaalsContact C-N 3.34Å
227	L	72.3	Confident	72.7	Confident	35 Å²	35	63.7 Å²	63.7	18%	0.183	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-6.5	179.3	-66.4	169.6	0	0	0	113	W110 H117 H223 I225	W110-L227 HydrophobicContact CE3-CD1 4.44Å; W110-L227 HydrophobicContact CH2-CD1 4.1Å; W110-L227 HydrophobicContact CH2-CD2 3.93Å; W110-L227 HydrophobicContact CH2-CG 4.09Å; W110-L227 HydrophobicContact CZ2-CD1 4.3Å; W110-L227 HydrophobicContact CZ2-CD2 4.2Å; W110-L227 HydrophobicContact CZ3-CD1 4.17Å; W110-L227 HydrophobicContact CZ3-CG 4.34Å; H117-L227 HydrophobicContact CB-CB 4.42Å; H117-L227 PolarHBondContact CE1-O 2.9Å; H117-L227 PolarHBondContact ND1-O 3.46Å; H223-L227 PolarHBondContact O-N 3.16Å; I225-L227 VanDerWaalsContact C-N 3.3Å; I225-L227 PolarHBondContact O-N 3.12Å
228	E	69.5	Low	72.8	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	32%	0.322	C	S	.	.			trans	-124	58.6	-163.4	-64.1	-69.7	-172.5	0	0	112.9	R120 I152 T224 I225 M226 F230 F235	R120-E228 IonicContact CZ-OE1 2.72Å; R120-E228 IonicContact CZ-OE2 3.08Å; R120-E228 IonicContact NH1-OE1 3.11Å; R120-E228 PolarHBondContact NH1-OE1 2.93Å; R120-E228 VanDerWaalsContact NH1-OE1 3.15Å; R120-E228 IonicContact NH1-OE2 3.82Å; R120-E228 PolarHBondContact NH1-OE2 2.55Å; R120-E228 IonicContact NH2-OE2 3.43Å; R120-E228 PolarHBondContact NH2-OE2 3.13Å; I152-E228 HydrophobicContact CD1-CB 4.32Å; I152-E228 HydrophobicContact CD1-CG 3.62Å; T224-E228 VanDerWaalsContact O-CB 3.26Å; T224-E228 WeakPolarHBondContact O-CB 3.13Å; T224-E228 WeakPolarHBondContact O-CG 3.35Å; I225-E228 PolarHBondContact O-N 3.39Å; I225-E228 VanDerWaalsContact O-N 3.16Å; M226-E228 VanDerWaalsContact C-N 3.34Å; E228-F230 HydrophobicContact CB-CE2 4.14Å; E228-F235 HydrophobicContact CB-CB 4Å; E228-F235 HydrophobicContact CB-CG 4.46Å; E228-F235 VanDerWaalsContact O-CB 3.28Å; E228-F235 WeakPolarHBondContact O-CB 3.49Å; E228-F235 PolarHBondContact O-N 2.79Å
229	R	59.2	Low	73	Confident	204 Å²	204	60.9 Å²	60.9	77%	0.77	30%	0.301	S	S	*	.	B	Isolated β-bridge	trans	-85.5	123.1	158	-82.8	-175.4	171.2	-178.5	-2.4	109.9
230	F	57.7	Low	73.2	Confident	48 Å²	48	58.2 Å²	58.2	21%	0.211	29%	0.287	C	S	.	.			trans	-98.8	157.8	168	-52.6	-114.5	0	0	0	107.7	I152 E228 D232 F233 F235	I152-F230 HydrophobicContact CG2-CE1 4.22Å; I152-F230 HydrophobicContact CG2-CE2 4.49Å; I152-F230 HydrophobicContact CG2-CZ 3.53Å; E228-F230 HydrophobicContact CB-CE2 4.14Å; F230-D232 VanDerWaalsContact C-N 3.27Å; F230-D232 PolarHBondContact O-N 3.21Å; F230-F233 WeakPolarHBondContact CA-O 3.4Å; F230-F233 HydrophobicContact CB-CB 4Å; F230-F233 VanDerWaalsContact CB-O 3.26Å; F230-F233 WeakPolarHBondContact CB-O 3.38Å; F230-F233 HydrophobicContact CD2-CB 4.45Å; F230-F233 AromaticContact CD2-CD1 3.61Å; F230-F233 HydrophobicContact CD2-CD1 3.61Å; F230-F233 HydrophobicContact CD2-CE1 4.43Å; F230-F233 WeakPolarHBondContact CD2-O 3.17Å; F230-F233 AromaticContact CE2-CD1 3.91Å; F230-F233 HydrophobicContact CE2-CD1 3.91Å; F230-F233 HydrophobicContact CE2-CE1 4.31Å; F230-F233 HydrophobicContact CG-CB 4.33Å; F230-F233 HydrophobicContact CG-CD1 4.11Å; F230-F233 PolarHBondContact N-O 2.55Å; F230-F233 PolarHBondContact O-N 3.44Å; F230-F235 HydrophobicContact CE2-CB 4.36Å
231	E	54.4	Low	73.5	Confident	201 Å²	201	59.5 Å²	59.5	94%	0.939	29%	0.294	S	S	*	.	S	Bend	trans	-56.8	-41.2	-179.7	-63.4	178.8	151.2	0	0	111.9
232	D	58.7	Low	73.6	Confident	166 Å²	166	59.7 Å²	59.7	89%	0.888	30%	0.297	S	S	*	.	S	Bend	trans	-105.3	-0.7	-179.9	-62.1	-46	0	0	0	115	F230	F230-D232 VanDerWaalsContact C-N 3.27Å; F230-D232 PolarHBondContact O-N 3.21Å
233	F	65.2	Low	73.9	Confident	29 Å²	29	58.2 Å²	58.2	13%	0.127	28%	0.284	C	S	.	.			trans	-149.1	129.5	-167.5	177.3	-105.9	0	0	0	113.2	N156 F230 F235 H239	N156-F233 HydrophobicContact CB-CE1 4.31Å; F230-F233 WeakPolarHBondContact CA-O 3.4Å; F230-F233 HydrophobicContact CB-CB 4Å; F230-F233 VanDerWaalsContact CB-O 3.26Å; F230-F233 WeakPolarHBondContact CB-O 3.38Å; F230-F233 HydrophobicContact CD2-CB 4.45Å; F230-F233 AromaticContact CD2-CD1 3.61Å; F230-F233 HydrophobicContact CD2-CD1 3.61Å; F230-F233 HydrophobicContact CD2-CE1 4.43Å; F230-F233 WeakPolarHBondContact CD2-O 3.17Å; F230-F233 AromaticContact CE2-CD1 3.91Å; F230-F233 HydrophobicContact CE2-CD1 3.91Å; F230-F233 HydrophobicContact CE2-CE1 4.31Å; F230-F233 HydrophobicContact CG-CB 4.33Å; F230-F233 HydrophobicContact CG-CD1 4.11Å; F230-F233 PolarHBondContact N-O 2.55Å; F230-F233 PolarHBondContact O-N 3.44Å; F233-F235 HydrophobicContact CE1-CD2 4.04Å; F233-H239 AromaticContact CE2-CD2 3.92Å; F233-H239 AromaticContact CE2-CE1 3.66Å; F233-H239 AromaticContact CE2-NE2 3.3Å; F233-H239 VanDerWaalsContact CE2-NE2 3.3Å; F233-H239 WeakPolarHBondContact CE2-NE2 3.44Å; F233-H239 AromaticContact CZ-CD2 3.52Å; F233-H239 AromaticContact CZ-CE1 3.68Å; F233-H239 AromaticContact CZ-CG 3.91Å; F233-H239 AromaticContact CZ-NE2 3.4Å; F233-H239 WeakPolarHBondContact CZ-NE2 3.36Å
234	V	70.1	Confident	74.2	Confident	95 Å²	95	56.9 Å²	56.9	58%	0.576	28%	0.277	S	S	*	.	B	Isolated β-bridge	trans	-102.4	111.2	175.8	-178.5	0	0	0	0	108.6
235	F	76.2	Confident	74.4	Confident	3 Å²	3	59.2 Å²	59.2	1%	0.013	29%	0.292	C	S	.	.			trans	-60.8	143.7	170.2	-158.1	-98.4	0	0	0	109.5	I152 V155 T224 I225 E228 F230 F233 H239	I152-F235 HydrophobicContact CB-CE2 4.3Å; I152-F235 HydrophobicContact CG1-CD2 3.95Å; I152-F235 HydrophobicContact CG1-CE2 3.64Å; I152-F235 HydrophobicContact CG1-CZ 4.03Å; V155-F235 HydrophobicContact CG2-CD2 4.47Å; V155-F235 HydrophobicContact CG2-CE2 3.55Å; V155-F235 HydrophobicContact CG2-CZ 4.26Å; T224-F235 HydrophobicContact CG2-CD1 4.47Å; T224-F235 HydrophobicContact CG2-CE1 4.07Å; I225-F235 HydrophobicContact CG1-CD1 3.79Å; I225-F235 HydrophobicContact CG1-CE1 4.3Å; E228-F235 HydrophobicContact CB-CB 4Å; E228-F235 HydrophobicContact CB-CG 4.46Å; E228-F235 VanDerWaalsContact O-CB 3.28Å; E228-F235 WeakPolarHBondContact O-CB 3.49Å; E228-F235 PolarHBondContact O-N 2.79Å; F230-F235 HydrophobicContact CE2-CB 4.36Å; F233-F235 HydrophobicContact CE1-CD2 4.04Å; F235-H239 HydrophobicContact CD2-CB 4.09Å; F235-H239 HydrophobicContact CE1-CB 4.44Å; F235-H239 HydrophobicContact CE2-CB 3.78Å; F235-H239 HydrophobicContact CZ-CB 3.97Å
236	S	81.4	Confident	74.5	Confident	19 Å²	19	58.1 Å²	58.1	13%	0.133	29%	0.286	C	S	.	.			trans	-148.3	167.8	-175.2	81.5	0	0	0	0	111.2	E238 H239 T240	S236-E238 PolarHBondContact O-N 2.89Å; S236-E238 VanDerWaalsContact O-N 3.16Å; S236-E238 PolarHBondContact OG-N 2.69Å; S236-E238 PolarHBondContact OG-OE2 3.06Å; S236-H239 PolarHBondContact N-ND1 2.97Å; S236-H239 VanDerWaalsContact N-ND1 3.2Å; S236-H239 WeakPolarHBondContact O-CA 3.5Å; S236-H239 WeakPolarHBondContact O-CB 3.33Å; S236-H239 PolarHBondContact O-N 3.12Å; S236-H239 PolarHBondContact OG-ND1 3.48Å; S236-T240 PolarHBondContact O-N 3.28Å; S236-T240 VanDerWaalsContact O-N 3.14Å
237	I	79.5	Confident	75	Confident	59 Å²	59	51.2 Å²	51.2	30%	0.303	25%	0.254	S	S	.	.	H	α-helix	trans	-61.1	-24	177.4	-162.6	163.6	0	0	0	112.9	W217 F218 I225 H239 T240 N241	W217-I237 HydrophobicContact CZ3-CD1 4.24Å; W217-I237 HydrophobicContact CZ3-CG1 4.25Å; F218-I237 HydrophobicContact CD2-CD1 3.64Å; F218-I237 HydrophobicContact CE2-CD1 3.78Å; I225-I237 HydrophobicContact CD1-CB 3.91Å; I225-I237 VanDerWaalsContact CD1-N 3.31Å; I237-H239 VanDerWaalsContact C-N 3.34Å; I237-T240 PolarHBondContact O-N 3.47Å; I237-N241 WeakPolarHBondContact O-CB 3.46Å; I237-N241 VanDerWaalsContact O-CG 3.27Å; I237-N241 PolarHBondContact O-N 2.74Å
238	E	80.7	Confident	75.7	Confident	53 Å²	53	49.6 Å²	49.6	25%	0.248	25%	0.245	C	C	.	.	H	α-helix	trans	-71.6	-32.2	173.7	-57.9	137.7	134.8	0	0	111.5	S236 A242 R461	S236-E238 PolarHBondContact O-N 2.89Å; S236-E238 VanDerWaalsContact O-N 3.16Å; S236-E238 PolarHBondContact OG-N 2.69Å; S236-E238 PolarHBondContact OG-OE2 3.06Å; E238-A242 WeakPolarHBondContact O-CB 3.47Å; E238-A242 PolarHBondContact O-N 3.28Å; E238-R461 IonicContact OE1-CZ 2.69Å; E238-R461 IonicContact OE1-NE 3.17Å; E238-R461 PolarHBondContact OE1-NE 2.98Å; E238-R461 IonicContact OE1-NH2 3.19Å; E238-R461 PolarHBondContact OE1-NH2 3.45Å; E238-R461 IonicContact OE2-CZ 3.92Å; E238-R461 IonicContact OE2-NH2 2.83Å; E238-R461 PolarHBondContact OE2-NH2 3.43Å
239	H	85	Confident	76.5	Confident	17 Å²	17	49.7 Å²	49.7	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-71.1	-40.5	173.2	-60	103.3	0	0	0	110.7	V155 F233 F235 S236 I237 A242 F243	V155-H239 HydrophobicContact CG2-CB 3.92Å; F233-H239 AromaticContact CE2-CD2 3.92Å; F233-H239 AromaticContact CE2-CE1 3.66Å; F233-H239 AromaticContact CE2-NE2 3.3Å; F233-H239 VanDerWaalsContact CE2-NE2 3.3Å; F233-H239 WeakPolarHBondContact CE2-NE2 3.44Å; F233-H239 AromaticContact CZ-CD2 3.52Å; F233-H239 AromaticContact CZ-CE1 3.68Å; F233-H239 AromaticContact CZ-CG 3.91Å; F233-H239 AromaticContact CZ-NE2 3.4Å; F233-H239 WeakPolarHBondContact CZ-NE2 3.36Å; F235-H239 HydrophobicContact CD2-CB 4.09Å; F235-H239 HydrophobicContact CE1-CB 4.44Å; F235-H239 HydrophobicContact CE2-CB 3.78Å; F235-H239 HydrophobicContact CZ-CB 3.97Å; S236-H239 PolarHBondContact N-ND1 2.97Å; S236-H239 VanDerWaalsContact N-ND1 3.2Å; S236-H239 WeakPolarHBondContact O-CA 3.5Å; S236-H239 WeakPolarHBondContact O-CB 3.33Å; S236-H239 PolarHBondContact O-N 3.12Å; S236-H239 PolarHBondContact OG-ND1 3.48Å; I237-H239 VanDerWaalsContact C-N 3.34Å; H239-A242 PolarHBondContact O-N 3.26Å; H239-F243 PolarHBondContact O-N 3.2Å
240	T	82.7	Confident	77.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-52.4	168.7	-55.8	0	0	0	0	111.6	M151 W217 N221 S236 I237 A242 F243 Y244	M151-T240 HydrophobicContact CE-CG2 3.88Å; W217-T240 HydrophobicContact CH2-CG2 3.49Å; W217-T240 VanDerWaalsContact CH2-CG2 3.49Å; W217-T240 HydrophobicContact CZ2-CG2 3.54Å; N221-T240 HydrophobicContact CB-CG2 4.23Å; N221-T240 VanDerWaalsContact CG-CG2 3.43Å; N221-T240 WeakPolarHBondContact OD1-CG2 3.3Å; S236-T240 PolarHBondContact O-N 3.28Å; S236-T240 VanDerWaalsContact O-N 3.14Å; I237-T240 PolarHBondContact O-N 3.47Å; T240-A242 VanDerWaalsContact C-N 3.27Å; T240-A242 PolarHBondContact O-N 3.37Å; T240-F243 WeakPolarHBondContact O-CB 3.26Å; T240-F243 PolarHBondContact O-N 3.19Å; T240-F243 VanDerWaalsContact O-N 3.16Å; T240-Y244 HydrophobicContact CG2-CE2 4.03Å; T240-Y244 VanDerWaalsContact O-CD2 3.26Å; T240-Y244 WeakPolarHBondContact O-CD2 3.39Å
241	N	82.2	Confident	78.9	Confident	43 Å²	43	38 Å²	38	23%	0.23	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-40.5	180	-71.6	-11.1	0	0	0	111	W217 I237 F243 Y244 T245	W217-N241 WeakPolarHBondContact CH2-OD1 3.41Å; I237-N241 WeakPolarHBondContact O-CB 3.46Å; I237-N241 VanDerWaalsContact O-CG 3.27Å; I237-N241 PolarHBondContact O-N 2.74Å; N241-F243 VanDerWaalsContact C-N 3.28Å; N241-F243 PolarHBondContact O-N 3.28Å; N241-Y244 PolarHBondContact O-N 2.92Å; N241-Y244 VanDerWaalsContact O-N 3.11Å; N241-T245 WeakPolarHBondContact O-CG2 3.31Å; N241-T245 PolarHBondContact O-N 3.46Å; N241-T245 PolarHBondContact O-OG1 2.76Å
242	A	82.4	Confident	80	Confident	9 Å²	9	28.8 Å²	28.8	7%	0.074	16%	0.16	C	C	.	.	H	α-helix	trans	-60.1	-32.9	177	0	0	0	0	0	113.4	W162 E238 H239 T240 Y244 N246	W162-A242 WeakPolarHBondContact CZ2-O 3.46Å; E238-A242 WeakPolarHBondContact O-CB 3.47Å; E238-A242 PolarHBondContact O-N 3.28Å; H239-A242 PolarHBondContact O-N 3.26Å; T240-A242 VanDerWaalsContact C-N 3.27Å; T240-A242 PolarHBondContact O-N 3.37Å; A242-Y244 VanDerWaalsContact C-N 3.31Å; A242-Y244 PolarHBondContact O-N 3.28Å; A242-N246 WeakPolarHBondContact CB-ND2 3.37Å; A242-N246 WeakPolarHBondContact O-CB 3.28Å; A242-N246 VanDerWaalsContact O-CG 3.26Å; A242-N246 PolarHBondContact O-N 3.31Å; A242-N246 PolarHBondContact O-ND2 3.25Å
243	F	86.6	Confident	80.4	Confident	1 Å²	1	20.9 Å²	20.9	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-57.1	-46.2	173.1	173.1	-95.4	0	0	0	111.2	V142 M151 C154 V155 W162 D164 H239 T240 N241 A247	V142-F243 HydrophobicContact CB-CE2 3.97Å; V142-F243 HydrophobicContact CB-CZ 4.04Å; V142-F243 HydrophobicContact CG1-CE2 3.89Å; V142-F243 HydrophobicContact CG1-CZ 3.92Å; M151-F243 HydrophobicContact CB-CD2 4.05Å; M151-F243 HydrophobicContact CB-CE2 4.35Å; M151-F243 HydrophobicContact CB-CG 4.26Å; M151-F243 HydrophobicContact CE-CB 4.23Å; M151-F243 HydrophobicContact CE-CD1 3.83Å; M151-F243 HydrophobicContact CE-CE1 4.46Å; M151-F243 HydrophobicContact CE-CG 4.08Å; M151-F243 HydrophobicContact CG-CD1 4.07Å; M151-F243 HydrophobicContact CG-CD2 3.97Å; M151-F243 HydrophobicContact CG-CE1 4.06Å; M151-F243 HydrophobicContact CG-CE2 3.95Å; M151-F243 HydrophobicContact CG-CG 4.03Å; M151-F243 HydrophobicContact CG-CZ 3.99Å; C154-F243 HydrophobicContact CB-CD2 3.95Å; C154-F243 HydrophobicContact CB-CE2 4.27Å; V155-F243 HydrophobicContact CG1-CB 3.96Å; W162-F243 AromaticContact CD1-CD2 3.98Å; W162-F243 AromaticContact CD1-CE2 3.82Å; W162-F243 AromaticContact NE1-CD2 3.69Å; W162-F243 AromaticContact NE1-CE2 4Å; W162-F243 PolarHBondContact NE1-O 3.1Å; D164-F243 HydrophobicContact CB-CE1 4.17Å; D164-F243 HydrophobicContact CB-CZ 4.38Å; H239-F243 PolarHBondContact O-N 3.2Å; T240-F243 WeakPolarHBondContact O-CB 3.26Å; T240-F243 PolarHBondContact O-N 3.19Å; T240-F243 VanDerWaalsContact O-N 3.16Å; N241-F243 VanDerWaalsContact C-N 3.28Å; N241-F243 PolarHBondContact O-N 3.28Å; F243-A247 PolarHBondContact O-N 3.44Å
244	Y	83.5	Confident	80.9	Confident	12 Å²	12	20.1 Å²	20.1	5%	0.047	12%	0.115	C	C	.	.	H	α-helix	trans	-77.1	-42.9	-179.4	-62.4	-79	0	0	0	112.8	M151 D164 V174 Y177 W217 T240 N241 A242	M151-Y244 HydrophobicContact CE-CE2 3.79Å; D164-Y244 WeakPolarHBondContact OD2-CD1 3.43Å; V174-Y244 HydrophobicContact CB-CD1 3.98Å; V174-Y244 HydrophobicContact CB-CE1 3.8Å; V174-Y244 HydrophobicContact CG1-CD1 4.19Å; V174-Y244 HydrophobicContact CG1-CE1 3.62Å; V174-Y244 HydrophobicContact CG1-CE2 4.17Å; V174-Y244 HydrophobicContact CG2-CE1 4.3Å; Y177-Y244 VanDerWaalsContact CB-CB 3.46Å; Y177-Y244 HydrophobicContact CD2-CD2 4.33Å; Y177-Y244 HydrophobicContact CD2-CG 4.41Å; W217-Y244 HydrophobicContact CZ2-CD2 4.35Å; W217-Y244 AromaticContact CZ2-CE2 3.92Å; W217-Y244 HydrophobicContact CZ2-CE2 3.92Å; T240-Y244 HydrophobicContact CG2-CE2 4.03Å; T240-Y244 VanDerWaalsContact O-CD2 3.26Å; T240-Y244 WeakPolarHBondContact O-CD2 3.39Å; N241-Y244 PolarHBondContact O-N 2.92Å; N241-Y244 VanDerWaalsContact O-N 3.11Å; A242-Y244 VanDerWaalsContact C-N 3.31Å; A242-Y244 PolarHBondContact O-N 3.28Å
245	T	79.7	Confident	81	Confident	56 Å²	56	16.4 Å²	16.4	34%	0.344	9%	0.093	S	C	.	.	H	α-helix	trans	-78.9	-19.4	-174.8	63.3	0	0	0	0	114.2	Y177 N241	Y177-T245 HydrophobicContact CD1-CG2 4.37Å; N241-T245 WeakPolarHBondContact O-CG2 3.31Å; N241-T245 PolarHBondContact O-N 3.46Å; N241-T245 PolarHBondContact O-OG1 2.76Å
246	N	82	Confident	80.7	Confident	17 Å²	17	18.1 Å²	18.1	9%	0.091	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	8.6	-178.4	-45.4	-25.7	0	0	0	112.5	W162 A242 S445 T446	W162-N246 HydrophobicContact CH2-CB 3.92Å; W162-N246 HydrophobicContact CZ2-CB 3.74Å; A242-N246 WeakPolarHBondContact CB-ND2 3.37Å; A242-N246 WeakPolarHBondContact O-CB 3.28Å; A242-N246 VanDerWaalsContact O-CG 3.26Å; A242-N246 PolarHBondContact O-N 3.31Å; A242-N246 PolarHBondContact O-ND2 3.25Å; N246-S445 WeakPolarHBondContact OD1-CB 3.18Å; N246-S445 PolarHBondContact OD1-OG 2.81Å; N246-T446 HydrophobicContact CB-CG2 4.32Å; N246-T446 WeakPolarHBondContact O-CG2 3.33Å
247	A	85.9	Confident	80.3	Confident	8 Å²	8	21.5 Å²	21.5	7%	0.066	12%	0.119	C	C	.	.			trans	-61.8	138.5	166.5	0	0	0	0	0	109.3	D164 F243 P443	D164-A247 HydrophobicContact CB-CB 3.82Å; F243-A247 PolarHBondContact O-N 3.44Å; A247-P443 WeakPolarHBondContact O-CG 3.34Å
248	V	86.6	Confident	80.1	Confident	1 Å²	1	18.8 Å²	18.8	1%	0.006	11%	0.106	C	C	.	.	S	Bend	trans	-60.9	-50.5	176.9	174.6	0	0	0	0	109.7	A161 W162 I163 Y433	A161-V248 HydrophobicContact CB-CG2 4.28Å; W162-V248 PolarHBondContact O-N 3.41Å; I163-V248 HydrophobicContact CG1-CB 4.5Å; V248-Y433 HydrophobicContact CB-CD2 4.38Å; V248-Y433 HydrophobicContact CB-CE2 4.29Å; V248-Y433 HydrophobicContact CG1-CD1 4.23Å; V248-Y433 HydrophobicContact CG1-CD2 3.23Å; V248-Y433 HydrophobicContact CG1-CE1 4.49Å; V248-Y433 HydrophobicContact CG1-CE2 3.53Å; V248-Y433 HydrophobicContact CG1-CG 3.61Å; V248-Y433 HydrophobicContact CG2-CD2 4.25Å; V248-Y433 HydrophobicContact CG2-CE1 4.15Å; V248-Y433 HydrophobicContact CG2-CE2 3.7Å
249	Y	86.2	Confident	79.5	Confident	2 Å²	2	17 Å²	17	1%	0.008	10%	0.097	C	C	.	.			trans	-134.9	159.6	174.9	-57.2	-47.5	0	0	0	110.3	I163 D164 S267 F269 W429	I163-Y249 WeakPolarHBondContact CA-O 3.29Å; I163-Y249 HydrophobicContact CD1-CD2 3.99Å; I163-Y249 HydrophobicContact CG1-CD2 4.39Å; D164-Y249 PolarHBondContact N-O 3.41Å; Y249-S267 CarbonylContact C-O 3.53Å; Y249-S267 VanDerWaalsContact CA-O 3.24Å; Y249-S267 WeakPolarHBondContact CA-O 3.38Å; Y249-S267 WeakPolarHBondContact CB-O 2.87Å; Y249-F269 AromaticContact CD1-CE2 3.76Å; Y249-F269 HydrophobicContact CD1-CE2 3.76Å; Y249-F269 HydrophobicContact CD1-CZ 4.4Å; Y249-F269 HydrophobicContact CD2-CE2 4.17Å; Y249-F269 HydrophobicContact CE1-CE2 4.14Å; Y249-F269 HydrophobicContact CE1-CZ 4.45Å; Y249-F269 HydrophobicContact CG-CD2 4.47Å; Y249-F269 AromaticContact CG-CE2 3.77Å; Y249-F269 HydrophobicContact CG-CE2 3.77Å; Y249-W429 HydrophobicContact CE2-CB 4.2Å; Y249-W429 VanDerWaalsContact CE2-O 3.29Å; Y249-W429 WeakPolarHBondContact CE2-O 3.46Å
250	S	83.3	Confident	78.5	Confident	6 Å²	6	17.3 Å²	17.3	4%	0.042	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.4	162.1	-172.3	0	0	0	0	110.5	D164 R178 S267 T268 F269	D164-S250 CarbonylContact O-C 3.57Å; D164-S250 VanDerWaalsContact O-CA 3.24Å; D164-S250 WeakPolarHBondContact O-CA 3.28Å; D164-S250 PolarHBondContact O-OG 2.98Å; R178-S250 VanDerWaalsContact CD-OG 3.28Å; R178-S250 WeakPolarHBondContact CD-OG 3.29Å; R178-S250 VanDerWaalsContact CZ-OG 3.24Å; R178-S250 PolarHBondContact NE-OG 2.76Å; S250-S267 PolarHBondContact N-O 3.01Å; S250-T268 WeakPolarHBondContact O-CA 2.96Å; S250-F269 PolarHBondContact O-N 3.12Å
251	L	83.6	Confident	77.5	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	102.4	178.4	-71.2	-174.8	0	0	0	108.7	L44 I163 D164 Y165 S166 F269 L271 I430	L44-L251 HydrophobicContact CD2-CD1 3.93Å; I163-L251 HydrophobicContact CD1-CD1 4.44Å; I163-L251 HydrophobicContact CG2-CB 4.12Å; I163-L251 HydrophobicContact CG2-CD1 3.68Å; I163-L251 HydrophobicContact CG2-CG 3.62Å; D164-L251 PolarHBondContact O-N 3.49Å; Y165-L251 CarbonylContact C-O 3.53Å; Y165-L251 WeakPolarHBondContact CA-O 3.29Å; Y165-L251 HydrophobicContact CD2-CB 3.69Å; Y165-L251 HydrophobicContact CD2-CD1 3.98Å; Y165-L251 HydrophobicContact CD2-CG 4.47Å; Y165-L251 HydrophobicContact CE2-CB 4.27Å; Y165-L251 HydrophobicContact CE2-CD1 4.31Å; Y165-L251 HydrophobicContact CG-CB 4.44Å; S166-L251 PolarHBondContact N-O 3.32Å; L251-F269 HydrophobicContact CD2-CB 3.77Å; L251-F269 HydrophobicContact CD2-CD2 3.75Å; L251-F269 HydrophobicContact CD2-CG 4.24Å; L251-L271 HydrophobicContact CB-CD1 4.01Å; L251-L271 HydrophobicContact CD1-CD1 3.88Å; L251-L271 HydrophobicContact CD2-CD1 4.02Å; L251-L271 HydrophobicContact CG-CD1 4.18Å; L251-I430 HydrophobicContact CD1-CD1 4.07Å
252	G	77.6	Confident	76.4	Confident	7 Å²	7	22.7 Å²	22.7	7%	0.072	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	159.9	179.2	0	0	0	0	0	112	S166 F269 S270 L271	S166-G252 CarbonylContact O-C 3.47Å; G252-F269 PolarHBondContact N-O 3.4Å; G252-S270 CarbonylContact O-C 3.01Å; G252-S270 VanDerWaalsContact O-CA 3.27Å; G252-S270 WeakPolarHBondContact O-CA 3.45Å; G252-L271 PolarHBondContact O-N 3.46Å
253	S	68.5	Low	75.3	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.007	16%	0.155	C	C	.	.	S	Bend	trans	-65.8	-67.2	167.8	40.5	0	0	0	0	111.5	S166 T167 L271 M343 R347	S166-S253 PolarHBondContact O-N 3.12Å; T167-S253 VanDerWaalsContact O-CB 3.27Å; T167-S253 WeakPolarHBondContact O-CB 3.47Å; T167-S253 PolarHBondContact O-OG 2.84Å; S253-L271 WeakPolarHBondContact CA-O 3.24Å; S253-L271 PolarHBondContact O-N 3.27Å; S253-L271 VanDerWaalsContact O-O 3.08Å; S253-M343 WeakPolarHBondContact OG-CG 3.49Å; S253-R347 PolarHBondContact O-NH1 3.29Å
254	L	74.5	Confident	74	Confident	12 Å²	12	30.9 Å²	30.9	6%	0.063	18%	0.178	C	C	.	.	S	Bend	trans	-62.8	135.9	-161.2	-158.4	62.7	0	0	0	115.8	L169 L258 E259 S270 M343 F346 R347 L371	L169-L254 HydrophobicContact CD1-CB 3.35Å; L169-L254 HydrophobicContact CD1-CD2 4.2Å; L169-L254 HydrophobicContact CD1-CG 4.43Å; L254-L258 HydrophobicContact CD1-CB 3.6Å; L254-L258 HydrophobicContact CD1-CD1 3.6Å; L254-L258 HydrophobicContact CD1-CG 4.24Å; L254-L258 HydrophobicContact CD2-CB 4.39Å; L254-L258 HydrophobicContact CG-CB 3.95Å; L254-E259 HydrophobicContact CD2-CB 4.08Å; L254-S270 PolarHBondContact O-OG 2.82Å; L254-M343 HydrophobicContact CB-SD 4.18Å; L254-M343 HydrophobicContact CD1-SD 3.81Å; L254-M343 HydrophobicContact CG-SD 4.43Å; L254-F346 HydrophobicContact CD1-CE1 4.18Å; L254-R347 VanDerWaalsContact CA-NH1 3.26Å; L254-L371 HydrophobicContact CD2-CD1 4.12Å
255	S	72.6	Confident	73.1	Confident	17 Å²	17	32.1 Å²	32.1	12%	0.119	19%	0.187	C	C	.	.			trans	-69.8	139.8	166.9	169.5	0	0	0	0	110.7	M257 L258 S270	S255-M257 PolarHBondContact O-N 3.31Å; S255-M257 VanDerWaalsContact O-N 3.16Å; S255-M257 PolarHBondContact OG-N 3.3Å; S255-L258 PolarHBondContact O-N 3.17Å; S255-S270 WeakPolarHBondContact CA-OG 3.34Å
256	P	69.9	Low	72.3	Confident	39 Å²	39	35.2 Å²	35.2	25%	0.253	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-59.6	-24.9	175	29.2	-39.1	0	0	0	112.7	L258 E259 Q264	P256-L258 PolarHBondContact O-N 2.93Å; P256-E259 PolarHBondContact O-N 2.99Å; P256-Q264 HydrophobicContact CB-CG 4.37Å
257	M	72.7	Confident	71.6	Confident	90 Å²	90	35.7 Å²	35.7	44%	0.443	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-67.6	-23.1	176.1	-59.3	-175.7	-175.3	0	0	113.2	S255 L415	S255-M257 PolarHBondContact O-N 3.31Å; S255-M257 VanDerWaalsContact O-N 3.16Å; S255-M257 PolarHBondContact OG-N 3.3Å; M257-L415 HydrophobicContact CB-CD2 4Å; M257-L415 HydrophobicContact SD-CD2 4.03Å
258	L	74.9	Confident	70.6	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.016	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-89	-11.5	178.6	-72.5	177.4	0	0	0	113.1	L254 S255 P256 F346 I350 H375 L411 L415	L254-L258 HydrophobicContact CD1-CB 3.6Å; L254-L258 HydrophobicContact CD1-CD1 3.6Å; L254-L258 HydrophobicContact CD1-CG 4.24Å; L254-L258 HydrophobicContact CD2-CB 4.39Å; L254-L258 HydrophobicContact CG-CB 3.95Å; S255-L258 PolarHBondContact O-N 3.17Å; P256-L258 PolarHBondContact O-N 2.93Å; L258-F346 HydrophobicContact CD1-CE1 4.29Å; L258-I350 HydrophobicContact CD1-CD1 4.43Å; L258-I350 HydrophobicContact CD2-CD1 3.58Å; L258-I350 HydrophobicContact CD2-CG2 4.39Å; L258-H375 PolarHBondContact O-NE2 3.08Å; L258-L411 HydrophobicContact CD2-CD1 4.3Å; L258-L411 HydrophobicContact CD2-CD2 3.71Å; L258-L411 HydrophobicContact CD2-CG 4.15Å; L258-L415 HydrophobicContact CD1-CD1 3.96Å; L258-L415 HydrophobicContact CD2-CD1 3.77Å; L258-L415 HydrophobicContact CG-CD1 3.91Å; L258-L415 HydrophobicContact CG-CD2 4.28Å
259	E	69.9	Low	69.9	Low	15 Å²	15	37.4 Å²	37.4	7%	0.07	21%	0.212	C	C	.	.	S	Bend	trans	-106.7	176.9	-177.6	-169.7	144.8	-151.6	0	0	111.8	R175 L254 P256 L262 R367	R175-E259 IonicContact CZ-OE1 2.77Å; R175-E259 VanDerWaalsContact CZ-OE1 3.26Å; R175-E259 IonicContact CZ-OE2 3.77Å; R175-E259 IonicContact NH1-OE1 3.57Å; R175-E259 PolarHBondContact NH1-OE1 3.41Å; R175-E259 IonicContact NH1-OE2 2.63Å; R175-E259 IonicContact NH2-OE1 2.66Å; R175-E259 PolarHBondContact NH2-OE1 3.42Å; R175-E259 IonicContact NH2-OE2 2.76Å; R175-E259 PolarHBondContact NH2-OE2 3Å; L254-E259 HydrophobicContact CD2-CB 4.08Å; P256-E259 PolarHBondContact O-N 2.99Å; E259-L262 HydrophobicContact CG-CD1 4.38Å; E259-L262 HydrophobicContact CG-CG 4.42Å; E259-R367 IonicContact OE1-CZ 3.16Å; E259-R367 IonicContact OE1-NE 2.74Å; E259-R367 IonicContact OE1-NH2 3.21Å; E259-R367 PolarHBondContact OE1-NH2 3.16Å; E259-R367 IonicContact OE2-NH2 2.74Å; E259-R367 PolarHBondContact OE2-NH2 2.8Å
260	V	63.4	Low	69	Low	24 Å²	24	37.6 Å²	37.6	15%	0.145	21%	0.214	C	C	.	.	S	Bend	trans	-56	132	156.2	-176.4	0	0	0	0	107.3	L188 L262	L188-V260 HydrophobicContact CB-CG2 4.4Å; L188-V260 HydrophobicContact CD1-CG2 4.02Å; V260-L262 WeakPolarHBondContact O-CD2 3.32Å; V260-L262 VanDerWaalsContact O-CG 3.31Å; V260-L262 WeakPolarHBondContact O-CG 3.31Å; V260-L262 PolarHBondContact O-N 3.38Å
261	P	61	Low	68.2	Low	117 Å²	117	37.3 Å²	37.3	76%	0.76	21%	0.212	S	C	*	.			trans	-53.7	114.9	-178.4	-28.5	35.5	0	0	0	112
262	L	60.4	Low	66.8	Low	39 Å²	39	39.2 Å²	39.2	20%	0.204	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-103.6	145	178.5	-56.6	-176.1	0	0	0	110	V182 E259 V260 Q264	V182-L262 HydrophobicContact CB-CD2 4.37Å; V182-L262 HydrophobicContact CG1-CD2 3.69Å; V182-L262 HydrophobicContact CG2-CD2 3.81Å; E259-L262 HydrophobicContact CG-CD1 4.38Å; E259-L262 HydrophobicContact CG-CG 4.42Å; V260-L262 WeakPolarHBondContact O-CD2 3.32Å; V260-L262 VanDerWaalsContact O-CG 3.31Å; V260-L262 WeakPolarHBondContact O-CG 3.31Å; V260-L262 PolarHBondContact O-N 3.38Å; L262-Q264 PolarHBondContact O-N 3.19Å
263	P	59	Low	65.8	Low	74 Å²	74	39.8 Å²	39.8	48%	0.481	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-60.4	125.4	163.8	27.9	-32.1	0	0	0	108.7	V182	V182-P263 HydrophobicContact CG1-CG 4.08Å
264	Q	59.1	Low	64.4	Low	108 Å²	108	42.2 Å²	42.2	51%	0.505	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-100.6	138.6	173.3	-65.8	-161.9	-54.3	0	0	110.3	P256 L262	P256-Q264 HydrophobicContact CB-CG 4.37Å; L262-Q264 PolarHBondContact O-N 3.19Å
265	T	64.3	Low	62.6	Low	38 Å²	38	43 Å²	43	23%	0.233	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-88.7	157.5	167.6	60.4	0	0	0	0	110.1	A179 S267 T268	A179-T265 HydrophobicContact CB-CG2 3.99Å; T265-S267 PolarHBondContact O-N 3.08Å; T265-S267 PolarHBondContact OG1-OG 3.12Å; T265-T268 PolarHBondContact O-N 2.81Å; T265-T268 VanDerWaalsContact O-N 3.17Å; T265-T268 PolarHBondContact OG1-OG1 2.94Å
266	M	63.4	Low	61.1	Low	120 Å²	120	44.2 Å²	44.2	59%	0.591	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	0.9	171.1	-68.2	-161.8	73.5	0	0	114.2	F269 W429 L441	M266-F269 WeakPolarHBondContact O-CZ 2.99Å; M266-W429 HydrophobicContact CE-CH2 4.23Å; M266-L441 HydrophobicContact SD-CD2 4.39Å
267	S	67.6	Low	59.4	Low	28 Å²	28	49.7 Å²	49.7	20%	0.196	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	3.5	177.8	57.7	0	0	0	0	114	Y249 S250 T265	Y249-S267 CarbonylContact C-O 3.53Å; Y249-S267 VanDerWaalsContact CA-O 3.24Å; Y249-S267 WeakPolarHBondContact CA-O 3.38Å; Y249-S267 WeakPolarHBondContact CB-O 2.87Å; S250-S267 PolarHBondContact N-O 3.01Å; T265-S267 PolarHBondContact O-N 3.08Å; T265-S267 PolarHBondContact OG1-OG 3.12Å
268	T	64.3	Low	57.9	Low	29 Å²	29	47.5 Å²	47.5	18%	0.178	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.1	179	-51.6	0	0	0	0	111.2	S250 T265	S250-T268 WeakPolarHBondContact O-CA 2.96Å; T265-T268 PolarHBondContact O-N 2.81Å; T265-T268 VanDerWaalsContact O-N 3.17Å; T265-T268 PolarHBondContact OG1-OG1 2.94Å
269	F	71.4	Confident	56.4	Low	15 Å²	15	53 Å²	53	7%	0.066	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153	179.3	-46.2	-71.9	0	0	0	112.2	Y249 S250 L251 G252 M266 W429	Y249-F269 AromaticContact CD1-CE2 3.76Å; Y249-F269 HydrophobicContact CD1-CE2 3.76Å; Y249-F269 HydrophobicContact CD1-CZ 4.4Å; Y249-F269 HydrophobicContact CD2-CE2 4.17Å; Y249-F269 HydrophobicContact CE1-CE2 4.14Å; Y249-F269 HydrophobicContact CE1-CZ 4.45Å; Y249-F269 HydrophobicContact CG-CD2 4.47Å; Y249-F269 AromaticContact CG-CE2 3.77Å; Y249-F269 HydrophobicContact CG-CE2 3.77Å; S250-F269 PolarHBondContact O-N 3.12Å; L251-F269 HydrophobicContact CD2-CB 3.77Å; L251-F269 HydrophobicContact CD2-CD2 3.75Å; L251-F269 HydrophobicContact CD2-CG 4.24Å; G252-F269 PolarHBondContact N-O 3.4Å; M266-F269 WeakPolarHBondContact O-CZ 2.99Å; F269-W429 AromaticContact CD1-CD1 3.66Å; F269-W429 HydrophobicContact CD1-CG 4.27Å; F269-W429 AromaticContact CD1-NE1 3.72Å; F269-W429 HydrophobicContact CD2-CB 4.17Å; F269-W429 HydrophobicContact CD2-CG 4.13Å; F269-W429 AromaticContact CE1-CD1 3.44Å; F269-W429 VanDerWaalsContact CE1-CD1 3.44Å; F269-W429 AromaticContact CE1-CD2 3.7Å; F269-W429 HydrophobicContact CE1-CD2 3.7Å; F269-W429 AromaticContact CE1-CE2 3.41Å; F269-W429 VanDerWaalsContact CE1-CE2 3.41Å; F269-W429 AromaticContact CE1-CG 3.75Å; F269-W429 HydrophobicContact CE1-CG 3.75Å; F269-W429 HydrophobicContact CE1-CZ2 4.02Å; F269-W429 AromaticContact CE1-NE1 3.25Å; F269-W429 VanDerWaalsContact CE1-NE1 3.25Å; F269-W429 HydrophobicContact CE2-CB 3.71Å; F269-W429 AromaticContact CE2-CD1 3.92Å; F269-W429 AromaticContact CE2-CD2 3.96Å; F269-W429 HydrophobicContact CE2-CD2 3.96Å; F269-W429 HydrophobicContact CE2-CE3 4.49Å; F269-W429 AromaticContact CE2-CG 3.58Å; F269-W429 HydrophobicContact CE2-CG 3.58Å; F269-W429 HydrophobicContact CG-CG 4.45Å; F269-W429 HydrophobicContact CZ-CB 4.02Å; F269-W429 AromaticContact CZ-CD1 3.58Å; F269-W429 AromaticContact CZ-CD2 3.29Å; F269-W429 HydrophobicContact CZ-CD2 3.29Å; F269-W429 AromaticContact CZ-CE2 3.53Å; F269-W429 AromaticContact CZ-CE3 3.82Å; F269-W429 HydrophobicContact CZ-CE3 3.82Å; F269-W429 AromaticContact CZ-CG 3.36Å; F269-W429 HydrophobicContact CZ-CG 3.36Å; F269-W429 HydrophobicContact CZ-CZ2 4.22Å; F269-W429 HydrophobicContact CZ-CZ3 4.45Å; F269-W429 AromaticContact CZ-NE1 3.7Å
270	S	68.6	Low	55.1	Low	6 Å²	6	55.8 Å²	55.8	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	153.5	174.4	-58.3	0	0	0	0	110.1	G252 L254 S255	G252-S270 CarbonylContact O-C 3.01Å; G252-S270 VanDerWaalsContact O-CA 3.27Å; G252-S270 WeakPolarHBondContact O-CA 3.45Å; L254-S270 PolarHBondContact O-OG 2.82Å; S255-S270 WeakPolarHBondContact CA-OG 3.34Å
271	L	65.1	Low	54.3	Low	0 Å²	0	57 Å²	57	0%	0	33%	0.327	C	S	.	.			trans	-152.6	156.1	-176.5	-91.8	172.7	0	0	0	111.2	L44 Y165 L251 G252 S253 Y273 E422 T423	L44-L271 HydrophobicContact CD2-CD1 3.93Å; Y165-L271 HydrophobicContact CE2-CD1 3.9Å; L251-L271 HydrophobicContact CB-CD1 4.01Å; L251-L271 HydrophobicContact CD1-CD1 3.88Å; L251-L271 HydrophobicContact CD2-CD1 4.02Å; L251-L271 HydrophobicContact CG-CD1 4.18Å; G252-L271 PolarHBondContact O-N 3.46Å; S253-L271 WeakPolarHBondContact CA-O 3.24Å; S253-L271 PolarHBondContact O-N 3.27Å; S253-L271 VanDerWaalsContact O-O 3.08Å; L271-Y273 HydrophobicContact CB-CE1 3.6Å; L271-Y273 WeakPolarHBondContact CB-OH 3.48Å; L271-Y273 HydrophobicContact CD1-CE1 4.44Å; L271-E422 WeakPolarHBondContact CD2-O 3.04Å; L271-T423 VanDerWaalsContact CD2-CA 3.48Å; L271-T423 HydrophobicContact CD2-CG2 4.31Å
272	D	54.1	Low	54.1	Low	41 Å²	41	53 Å²	53	22%	0.219	30%	0.302	C	S	.	.			trans	-127	150.2	-175.6	-132.8	-35.1	0	0	0	114.3	R347	D272-R347 WeakPolarHBondContact OD1-CD 3.03Å; D272-R347 IonicContact OD1-CZ 2.88Å; D272-R347 IonicContact OD1-NE 3.64Å; D272-R347 PolarHBondContact OD1-NE 2.69Å; D272-R347 VanDerWaalsContact OD1-NE 3.08Å; D272-R347 IonicContact OD2-CZ 3.26Å; D272-R347 IonicContact OD2-NE 2.66Å; D272-R347 PolarHBondContact OD2-NE 3.06Å; D272-R347 IonicContact OD2-NH2 3.81Å; D272-R347 PolarHBondContact OD2-NH2 3.26Å
273	Y	56.6	Low	54.1	Low	19 Å²	19	56.7 Å²	56.7	8%	0.075	32%	0.322	C	S	.	.			trans	-144.6	151.3	-156.4	-51.2	-44	0	0	0	114.3	S40 Y165 L271 K344	S40-Y273 WeakPolarHBondContact O-CD1 3.43Å; Y165-Y273 HydrophobicContact CE1-CE1 4.32Å; Y165-Y273 AromaticContact CE1-CZ 3.94Å; Y165-Y273 HydrophobicContact CE2-CE1 4.46Å; Y165-Y273 AromaticContact CZ-CE1 3.66Å; Y165-Y273 AromaticContact CZ-CZ 3.61Å; Y165-Y273 VanDerWaalsContact CZ-OH 3.24Å; Y165-Y273 WeakPolarHBondContact OH-CE1 3.01Å; Y165-Y273 VanDerWaalsContact OH-CZ 3.31Å; Y165-Y273 PolarHBondContact OH-OH 3.01Å; L271-Y273 HydrophobicContact CB-CE1 3.6Å; L271-Y273 WeakPolarHBondContact CB-OH 3.48Å; L271-Y273 HydrophobicContact CD1-CE1 4.44Å; Y273-K344 VanDerWaalsContact C-CE 3.44Å; Y273-K344 WeakPolarHBondContact O-CE 3.37Å
274	A	39.6	Very low	54.2	Low	53 Å²	53	57.2 Å²	57.2	44%	0.438	32%	0.318	S	S	.	.			trans	-109.1	133.7	-165	0	0	0	0	0	118.2	K344	A274-K344 WeakPolarHBondContact O-CE 3.43Å; A274-K344 PolarHBondContact O-NZ 2.94Å
275	C	37.2	Very low	54.6	Low	28 Å²	28	52.7 Å²	52.7	19%	0.189	30%	0.297	C	S	.	.			trans	16.5	112.9	164.5	-55.5	0	0	0	0	123	K344 E348	C275-K344 VanDerWaalsContact SG-CD 3.5Å; C275-K344 WeakPolarHBondContact SG-CE 3.47Å; C275-E348 PolarHBondContact SG-OE1 3.48Å; C275-E348 PolarHBondContact SG-OE2 3.06Å
276	P	40.9	Very low	54.9	Low	42 Å²	42	56.6 Å²	56.6	27%	0.273	31%	0.31	S	S	.	.			trans	-99.4	-138.2	167.4	42.2	-33.8	0	0	0	112.6	W322	P276-W322 PolarHBondContact O-NE1 2.63Å; P276-W322 VanDerWaalsContact O-NE1 3.09Å
277	K	34.2	Very low	55.2	Low	155 Å²	155	52.7 Å²	52.7	67%	0.674	29%	0.293	S	S	*	.			trans	-131	143.8	171.3	-97.2	179.7	175.8	-173.8	0	110	W322	K277-W322 HydrophobicContact CG-CG 4.42Å
278	A	40.3	Very low	55.7	Low	43 Å²	43	53 Å²	53	36%	0.355	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-77.2	148.3	172.4	0	0	0	0	0	111.9	Q303 N305	A278-Q303 HydrophobicContact CB-CG 4.02Å; A278-N305 PolarHBondContact O-ND2 2.68Å
279	L	43.5	Very low	56.3	Low	120 Å²	120	52 Å²	52	63%	0.628	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-77.6	165.9	171.3	-73.3	156.4	0	0	0	111.1
280	S	43.5	Very low	56.6	Low	73 Å²	73	52.5 Å²	52.5	51%	0.51	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-67.2	136.4	174.4	46.5	0	0	0	0	111.5
281	L	46	Very low	57.2	Low	48 Å²	48	52.3 Å²	52.3	25%	0.251	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-86.4	140.6	-179.9	-66.3	170.2	0	0	0	111.5	W95 Y285 W302 F304	W95-L281 HydrophobicContact CH2-CD2 3.57Å; W95-L281 HydrophobicContact CZ2-CD2 3.62Å; L281-Y285 HydrophobicContact CB-CD1 4.02Å; L281-W302 HydrophobicContact CD1-CZ2 3.88Å; L281-F304 HydrophobicContact CD1-CD2 4.19Å
282	S	57.5	Low	58.1	Low	34 Å²	34	52.9 Å²	52.9	24%	0.238	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-65.4	157.8	167.9	48.5	0	0	0	0	111.6	E284 Y285	S282-E284 VanDerWaalsContact CB-OE2 3.3Å; S282-E284 WeakPolarHBondContact CB-OE2 2.95Å; S282-E284 PolarHBondContact O-N 3.15Å; S282-E284 PolarHBondContact OG-OE2 2.83Å; S282-Y285 WeakPolarHBondContact O-CD1 3.17Å; S282-Y285 PolarHBondContact O-N 3.04Å; S282-Y285 VanDerWaalsContact O-N 3.11Å
283	N	60.7	Low	59.4	Low	116 Å²	116	54.7 Å²	54.7	62%	0.62	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-8	-178.6	-78.4	-28.4	0	0	0	116.1	Y285 K286	N283-Y285 PolarHBondContact O-N 3.11Å; N283-Y285 PolarHBondContact OD1-OH 3.4Å; N283-K286 WeakPolarHBondContact O-CG 3.33Å; N283-K286 PolarHBondContact O-N 2.77Å
284	E	60.8	Low	60.8	Low	85 Å²	85	59.5 Å²	59.5	40%	0.397	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.4	171.4	-67.6	138.6	176.3	0	0	112.6	W95 S282 K286	W95-E284 WeakPolarHBondContact CB-OE2 3.4Å; S282-E284 VanDerWaalsContact CB-OE2 3.3Å; S282-E284 WeakPolarHBondContact CB-OE2 2.95Å; S282-E284 PolarHBondContact O-N 3.15Å; S282-E284 PolarHBondContact OG-OE2 2.83Å; E284-K286 PolarHBondContact O-N 3.47Å; E284-K286 VanDerWaalsContact O-N 3.09Å
285	Y	68.1	Low	63.1	Low	14 Å²	14	57.2 Å²	57.2	6%	0.055	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-16.6	174	68.8	-109.4	0	0	0	114.5	L281 S282 N283 T287 I288 S289 W302 F304 S310 L311	L281-Y285 HydrophobicContact CB-CD1 4.02Å; S282-Y285 WeakPolarHBondContact O-CD1 3.17Å; S282-Y285 PolarHBondContact O-N 3.04Å; S282-Y285 VanDerWaalsContact O-N 3.11Å; N283-Y285 PolarHBondContact O-N 3.11Å; N283-Y285 PolarHBondContact OD1-OH 3.4Å; Y285-T287 VanDerWaalsContact C-N 3.29Å; Y285-T287 PolarHBondContact O-N 3.29Å; Y285-I288 WeakPolarHBondContact O-CB 3.11Å; Y285-I288 PolarHBondContact O-N 2.73Å; Y285-I288 VanDerWaalsContact O-N 3.1Å; Y285-S289 PolarHBondContact O-N 3.35Å; Y285-W302 HydrophobicContact CD2-CH2 4.14Å; Y285-W302 HydrophobicContact CG-CH2 4.29Å; Y285-F304 AromaticContact CD1-CE2 3.79Å; Y285-F304 HydrophobicContact CD1-CE2 3.79Å; Y285-F304 HydrophobicContact CD1-CZ 4.37Å; Y285-F304 HydrophobicContact CD2-CE2 4.04Å; Y285-F304 HydrophobicContact CD2-CZ 4.5Å; Y285-F304 AromaticContact CE1-CE2 3.98Å; Y285-F304 HydrophobicContact CE1-CE2 3.98Å; Y285-F304 HydrophobicContact CE1-CZ 4.1Å; Y285-F304 HydrophobicContact CE2-CE2 4.2Å; Y285-F304 HydrophobicContact CE2-CZ 4.2Å; Y285-F304 AromaticContact CG-CE2 3.91Å; Y285-F304 HydrophobicContact CG-CE2 3.91Å; Y285-S310 PolarHBondContact OH-OG 3.02Å; Y285-L311 HydrophobicContact CD2-CD2 3.86Å; Y285-L311 HydrophobicContact CE2-CD2 3.75Å; Y285-L311 HydrophobicContact CE2-CG 4.3Å
286	K	69.5	Low	65.6	Low	120 Å²	120	60.1 Å²	60.1	52%	0.522	32%	0.322	S	S	.	.	H	α-helix	trans	-60.2	-37.6	-178.3	-70.8	-178.5	177.9	-172	0	112.8	N283 E284 I288 S289 S290	N283-K286 WeakPolarHBondContact O-CG 3.33Å; N283-K286 PolarHBondContact O-N 2.77Å; E284-K286 PolarHBondContact O-N 3.47Å; E284-K286 VanDerWaalsContact O-N 3.09Å; K286-I288 VanDerWaalsContact C-N 3.3Å; K286-I288 PolarHBondContact O-N 2.03Å; K286-S289 PolarHBondContact O-N 3.38Å; K286-S290 PolarHBondContact O-N 2.75Å; K286-S290 PolarHBondContact O-OG 2.71Å
287	T	69.5	Low	68.1	Low	38 Å²	38	64 Å²	64	23%	0.233	34%	0.336	C	S	.	.	H	α-helix	trans	-62.2	-36.7	175.3	-59.5	0	0	0	0	112.5	Y285 S290 T291 L386 T387 N388	Y285-T287 VanDerWaalsContact C-N 3.29Å; Y285-T287 PolarHBondContact O-N 3.29Å; T287-S290 PolarHBondContact O-OG 2.86Å; T287-T291 PolarHBondContact O-OG1 3.39Å; T287-L386 HydrophobicContact CG2-CD2 4.1Å; T287-L386 HydrophobicContact CG2-CG 4.24Å; T287-T387 VanDerWaalsContact CG2-C 3.49Å; T287-N388 VanDerWaalsContact CA-OD1 3.22Å; T287-N388 WeakPolarHBondContact CA-OD1 3.3Å; T287-N388 VanDerWaalsContact CG2-OD1 3.24Å; T287-N388 WeakPolarHBondContact CG2-OD1 3.34Å; T287-N388 PolarHBondContact O-OD1 3.35Å
288	I	78.1	Confident	70.8	Confident	33 Å²	33	59.7 Å²	59.7	17%	0.169	32%	0.316	C	S	.	.	H	α-helix	trans	-73.2	-43.1	175.8	-66.8	173.4	0	0	0	109.8	Y285 K286 T291 F292 W302 L386 F391	Y285-I288 WeakPolarHBondContact O-CB 3.11Å; Y285-I288 PolarHBondContact O-N 2.73Å; Y285-I288 VanDerWaalsContact O-N 3.1Å; K286-I288 VanDerWaalsContact C-N 3.3Å; K286-I288 PolarHBondContact O-N 2.03Å; I288-T291 WeakPolarHBondContact O-CB 3.19Å; I288-T291 PolarHBondContact O-N 2.86Å; I288-F292 HydrophobicContact CG2-CD2 4.29Å; I288-F292 HydrophobicContact CG2-CE1 4Å; I288-F292 HydrophobicContact CG2-CE2 3.52Å; I288-F292 HydrophobicContact CG2-CZ 3.35Å; I288-F292 WeakPolarHBondContact O-CG 3.49Å; I288-F292 PolarHBondContact O-N 2.64Å; I288-W302 HydrophobicContact CG2-CH2 4.15Å; I288-W302 HydrophobicContact CG2-CZ2 4.2Å; I288-L386 HydrophobicContact CD1-CD2 4.39Å; I288-L386 HydrophobicContact CG1-CD2 4.07Å; I288-F391 HydrophobicContact CB-CE1 4.03Å; I288-F391 HydrophobicContact CB-CZ 4.32Å; I288-F391 HydrophobicContact CG1-CD1 4.32Å; I288-F391 HydrophobicContact CG1-CE1 3.96Å; I288-F391 HydrophobicContact CG1-CE2 4.31Å; I288-F391 HydrophobicContact CG1-CZ 3.94Å; I288-F391 HydrophobicContact CG2-CE1 3.78Å; I288-F391 HydrophobicContact CG2-CZ 3.88Å
289	S	76.8	Confident	73.4	Confident	9 Å²	9	65.5 Å²	65.5	6%	0.063	33%	0.329	C	S	.	.	H	α-helix	trans	-62.2	-49.2	179.6	-172.6	0	0	0	0	113.1	Y285 K286 T291 F292 E293 L311	Y285-S289 PolarHBondContact O-N 3.35Å; K286-S289 PolarHBondContact O-N 3.38Å; S289-T291 PolarHBondContact O-N 2.97Å; S289-F292 WeakPolarHBondContact O-CB 3.43Å; S289-F292 PolarHBondContact O-N 2.68Å; S289-E293 WeakPolarHBondContact O-CG 3.46Å; S289-E293 PolarHBondContact O-N 3.4Å; S289-L311 WeakPolarHBondContact OG-CD2 3.47Å
290	S	78.7	Confident	75.7	Confident	25 Å²	25	60.9 Å²	60.9	18%	0.175	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-34.8	179.5	53	0	0	0	0	111.7	K286 T287 F292 E293 H294 N388	K286-S290 PolarHBondContact O-N 2.75Å; K286-S290 PolarHBondContact O-OG 2.71Å; T287-S290 PolarHBondContact O-OG 2.86Å; S290-F292 VanDerWaalsContact C-N 3.33Å; S290-F292 PolarHBondContact O-N 2.63Å; S290-E293 WeakPolarHBondContact O-CB 3.16Å; S290-E293 PolarHBondContact O-N 2.94Å; S290-H294 PolarHBondContact O-ND1 3.31Å; S290-N388 VanDerWaalsContact OG-CG 3.3Å; S290-N388 PolarHBondContact OG-ND2 3.39Å; S290-N388 VanDerWaalsContact OG-ND2 3.17Å; S290-N388 PolarHBondContact OG-OD1 3.03Å
291	T	80.6	Confident	78	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-64.4	-36.5	175.2	-59.7	0	0	0	0	112.5	T287 I288 S289 E293 H294 N388 F391 Y392	T287-T291 PolarHBondContact O-OG1 3.39Å; I288-T291 WeakPolarHBondContact O-CB 3.19Å; I288-T291 PolarHBondContact O-N 2.86Å; S289-T291 PolarHBondContact O-N 2.97Å; T291-E293 VanDerWaalsContact C-N 3.27Å; T291-E293 PolarHBondContact O-N 2.74Å; T291-H294 PolarHBondContact O-N 2.83Å; T291-N388 PolarHBondContact OG1-O 3.08Å; T291-F391 HydrophobicContact CG2-CD1 3.54Å; T291-F391 HydrophobicContact CG2-CE1 4Å; T291-Y392 HydrophobicContact CG2-CD2 4.01Å; T291-Y392 HydrophobicContact CG2-CG 4.38Å
292	F	84	Confident	80	Confident	13 Å²	13	58.9 Å²	58.9	6%	0.057	29%	0.288	C	S	.	.	H	α-helix	trans	-67.3	-26.2	178	-65.2	-17.9	0	0	0	113.2	I288 S289 S290 H294 L295 I300 W302 H316 L317 I338 F391	I288-F292 HydrophobicContact CG2-CD2 4.29Å; I288-F292 HydrophobicContact CG2-CE1 4Å; I288-F292 HydrophobicContact CG2-CE2 3.52Å; I288-F292 HydrophobicContact CG2-CZ 3.35Å; I288-F292 WeakPolarHBondContact O-CG 3.49Å; I288-F292 PolarHBondContact O-N 2.64Å; S289-F292 WeakPolarHBondContact O-CB 3.43Å; S289-F292 PolarHBondContact O-N 2.68Å; S290-F292 VanDerWaalsContact C-N 3.33Å; S290-F292 PolarHBondContact O-N 2.63Å; F292-H294 VanDerWaalsContact C-N 3.26Å; F292-H294 PolarHBondContact O-N 3.36Å; F292-L295 PolarHBondContact O-N 3.27Å; F292-I300 HydrophobicContact CB-CD1 3.53Å; F292-I300 HydrophobicContact CD1-CD1 3.8Å; F292-I300 HydrophobicContact CD1-CG2 4.33Å; F292-I300 HydrophobicContact CD2-CG2 3.86Å; F292-I300 HydrophobicContact CE1-CG2 4.4Å; F292-I300 HydrophobicContact CE2-CG2 3.93Å; F292-I300 HydrophobicContact CG-CD1 3.74Å; F292-I300 HydrophobicContact CG-CG2 4.06Å; F292-I300 HydrophobicContact CZ-CG2 4.2Å; F292-W302 AromaticContact CD2-CE3 3.9Å; F292-W302 HydrophobicContact CD2-CE3 3.9Å; F292-W302 HydrophobicContact CD2-CZ3 4.07Å; F292-W302 AromaticContact CE2-CD2 3.93Å; F292-W302 HydrophobicContact CE2-CD2 3.93Å; F292-W302 AromaticContact CE2-CE3 3.66Å; F292-W302 HydrophobicContact CE2-CE3 3.66Å; F292-W302 HydrophobicContact CE2-CG 4.4Å; F292-W302 AromaticContact CE2-CZ3 3.99Å; F292-W302 HydrophobicContact CE2-CZ3 3.99Å; F292-H316 PolarHBondContact O-NE2 3.41Å; F292-L317 HydrophobicContact CD2-CD1 4Å; F292-I338 HydrophobicContact CE1-CD1 3.79Å; F292-I338 HydrophobicContact CZ-CD1 4.12Å; F292-F391 AromaticContact CE1-CE1 3.92Å; F292-F391 HydrophobicContact CE1-CE1 3.92Å; F292-F391 HydrophobicContact CE1-CZ 4.24Å; F292-F391 HydrophobicContact CZ-CE1 4.49Å
293	E	82.1	Confident	81.4	Confident	79 Å²	79	59.4 Å²	59.4	37%	0.369	29%	0.287	S	S	.	.	H	α-helix	trans	-65.7	-31.8	174.7	-44	-168.6	135.1	0	0	111.8	S289 S290 T291 L295 S312 N314	S289-E293 WeakPolarHBondContact O-CG 3.46Å; S289-E293 PolarHBondContact O-N 3.4Å; S290-E293 WeakPolarHBondContact O-CB 3.16Å; S290-E293 PolarHBondContact O-N 2.94Å; T291-E293 VanDerWaalsContact C-N 3.27Å; T291-E293 PolarHBondContact O-N 2.74Å; E293-L295 PolarHBondContact O-N 2.99Å; E293-S312 WeakPolarHBondContact OE1-CB 3.46Å; E293-S312 PolarHBondContact OE1-OG 2.95Å; E293-N314 WeakPolarHBondContact CG-ND2 3.1Å; E293-N314 PolarHBondContact OE1-ND2 2.94Å
294	H	85.4	Confident	82.3	Confident	120 Å²	120	54.1 Å²	54.1	56%	0.556	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	9.4	179.6	-62.3	81.4	0	0	0	113.6	S290 T291 F292 Y392	S290-H294 PolarHBondContact O-ND1 3.31Å; T291-H294 PolarHBondContact O-N 2.83Å; F292-H294 VanDerWaalsContact C-N 3.26Å; F292-H294 PolarHBondContact O-N 3.36Å; H294-Y392 HydrophobicContact CB-CD2 4.11Å; H294-Y392 HydrophobicContact CB-CE2 3.84Å
295	L	88.5	Confident	82.9	Confident	4 Å²	4	53 Å²	53	2%	0.021	26%	0.255	C	S	.	.			trans	-126.7	47.8	-178.7	-66.7	171.4	0	0	0	113.1	F292 E293 Q297 Y298 I300 Y392 V395 V396	F292-L295 PolarHBondContact O-N 3.27Å; E293-L295 PolarHBondContact O-N 2.99Å; L295-Q297 PolarHBondContact O-N 2.93Å; L295-Q297 VanDerWaalsContact O-N 3.13Å; L295-Y298 HydrophobicContact CB-CD2 4.25Å; L295-Y298 HydrophobicContact CD2-CD2 4.24Å; L295-Y298 HydrophobicContact CD2-CE2 4.39Å; L295-Y298 PolarHBondContact O-N 3.46Å; L295-I300 HydrophobicContact CB-CD1 4.22Å; L295-Y392 HydrophobicContact CD2-CD2 4.41Å; L295-Y392 HydrophobicContact CD2-CE2 3.81Å; L295-Y392 HydrophobicContact CG-CD2 4.42Å; L295-Y392 HydrophobicContact CG-CE2 4.14Å; L295-V395 HydrophobicContact CD1-CG1 3.64Å; L295-V396 HydrophobicContact CD2-CG2 4.32Å
296	P	89.8	Confident	83.2	Confident	89 Å²	89	53.6 Å²	53.6	58%	0.578	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.7	-173.5	29.5	-37.8	0	0	0	114.4	Y298	P296-Y298 PolarHBondContact O-N 3.11Å
297	Q	91.8	Very high	83.3	Confident	124 Å²	124	52.8 Å²	52.8	58%	0.579	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.5	175.6	74.2	-80.6	36.6	0	0	113.6	L295	L295-Q297 PolarHBondContact O-N 2.93Å; L295-Q297 VanDerWaalsContact O-N 3.13Å
298	Y	92.9	Very high	83.3	Confident	65 Å²	65	55.6 Å²	55.6	26%	0.255	28%	0.28	S	S	.	.	S	Bend	trans	-113.4	137.2	177.6	-63.6	-76	0	0	0	111.3	L295 P296 H316 V335 L399	L295-Y298 HydrophobicContact CB-CD2 4.25Å; L295-Y298 HydrophobicContact CD2-CD2 4.24Å; L295-Y298 HydrophobicContact CD2-CE2 4.39Å; L295-Y298 PolarHBondContact O-N 3.46Å; P296-Y298 PolarHBondContact O-N 3.11Å; Y298-H316 PolarHBondContact O-CD2 3.07Å; Y298-V335 HydrophobicContact CD1-CG2 4.19Å; Y298-V335 HydrophobicContact CE1-CG2 4.08Å; Y298-L399 HydrophobicContact CD2-CD1 4.3Å; Y298-L399 HydrophobicContact CE1-CD1 4.47Å; Y298-L399 HydrophobicContact CE1-CD2 4.12Å; Y298-L399 HydrophobicContact CE2-CD1 3.76Å
299	R	92.9	Very high	82.8	Confident	165 Å²	165	61.2 Å²	61.2	62%	0.623	31%	0.311	S	S	*	.			trans	-81.9	118.7	165.7	-174.3	167.6	-172.1	73.7	-3.2	109	S315	R299-S315 PolarHBondContact NH1-O 2.92Å; R299-S315 VanDerWaalsContact NH1-O 3.12Å
300	I	92.7	Very high	82.4	Confident	23 Å²	23	63.1 Å²	63.1	12%	0.118	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.5	-175.5	-60.6	169.9	0	0	0	107.7	F292 L295 H316 L317 K318	F292-I300 HydrophobicContact CB-CD1 3.53Å; F292-I300 HydrophobicContact CD1-CD1 3.8Å; F292-I300 HydrophobicContact CD1-CG2 4.33Å; F292-I300 HydrophobicContact CD2-CG2 3.86Å; F292-I300 HydrophobicContact CE1-CG2 4.4Å; F292-I300 HydrophobicContact CE2-CG2 3.93Å; F292-I300 HydrophobicContact CG-CD1 3.74Å; F292-I300 HydrophobicContact CG-CG2 4.06Å; F292-I300 HydrophobicContact CZ-CG2 4.2Å; L295-I300 HydrophobicContact CB-CD1 4.22Å; I300-H316 PolarHBondContact N-O 3.33Å; I300-L317 HydrophobicContact CB-CD1 3.93Å; I300-L317 HydrophobicContact CG2-CD1 3.62Å; I300-K318 PolarHBondContact O-N 2.84Å
301	V	91.3	Very high	82	Confident	50 Å²	50	62.9 Å²	62.9	30%	0.303	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.3	175	-164.4	0	0	0	0	107.9	K318 I323 L328	V301-K318 WeakPolarHBondContact CA-O 3.48Å; V301-K318 HydrophobicContact CG1-CB 4.4Å; V301-I323 HydrophobicContact CB-CD1 4.46Å; V301-I323 HydrophobicContact CG1-CD1 3.67Å; V301-I323 HydrophobicContact CG1-CG1 4.42Å; V301-L328 HydrophobicContact CB-CD2 4.03Å; V301-L328 HydrophobicContact CG1-CD2 4.29Å; V301-L328 HydrophobicContact CG2-CD1 4.3Å
302	W	88.5	Confident	81.2	Confident	29 Å²	29	64.8 Å²	64.8	11%	0.11	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.9	-172.5	-177.1	8.9	0	0	0	110.4	L281 Y285 I288 F292 F304 L311 L317 K318 L319 E320	L281-W302 HydrophobicContact CD1-CZ2 3.88Å; Y285-W302 HydrophobicContact CD2-CH2 4.14Å; Y285-W302 HydrophobicContact CG-CH2 4.29Å; I288-W302 HydrophobicContact CG2-CH2 4.15Å; I288-W302 HydrophobicContact CG2-CZ2 4.2Å; F292-W302 AromaticContact CD2-CE3 3.9Å; F292-W302 HydrophobicContact CD2-CE3 3.9Å; F292-W302 HydrophobicContact CD2-CZ3 4.07Å; F292-W302 AromaticContact CE2-CD2 3.93Å; F292-W302 HydrophobicContact CE2-CD2 3.93Å; F292-W302 AromaticContact CE2-CE3 3.66Å; F292-W302 HydrophobicContact CE2-CE3 3.66Å; F292-W302 HydrophobicContact CE2-CG 4.4Å; F292-W302 AromaticContact CE2-CZ3 3.99Å; F292-W302 HydrophobicContact CE2-CZ3 3.99Å; W302-F304 HydrophobicContact CD2-CB 4.42Å; W302-F304 HydrophobicContact CD2-CD2 4.5Å; W302-F304 HydrophobicContact CG-CB 4.38Å; W302-F304 HydrophobicContact CH2-CD2 4.41Å; W302-F304 HydrophobicContact CZ2-CD2 4.02Å; W302-F304 HydrophobicContact CZ2-CE2 4.49Å; W302-F304 PolarHBondContact O-N 2.81Å; W302-L311 HydrophobicContact CH2-CD2 4.43Å; W302-L311 HydrophobicContact CZ3-CD1 4.29Å; W302-L311 HydrophobicContact CZ3-CD2 4.06Å; W302-L317 HydrophobicContact CB-CD1 4.29Å; W302-L317 HydrophobicContact CE3-CD1 4.26Å; W302-K318 PolarHBondContact N-O 3.16Å; W302-L319 HydrophobicContact CB-CD2 4.08Å; W302-L319 HydrophobicContact CD2-CD2 4.2Å; W302-L319 HydrophobicContact CE3-CD2 3.7Å; W302-L319 HydrophobicContact CG-CD2 4.39Å; W302-E320 PolarHBondContact O-N 3.36Å
303	Q	86	Confident	80.4	Confident	45 Å²	45	72.3 Å²	72.3	21%	0.21	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	109.3	168.7	-171.2	168.5	-1.9	0	0	109.7	A278 E320 P321 I323	A278-Q303 HydrophobicContact CB-CG 4.02Å; Q303-E320 CarbonylContact C-O 3.6Å; Q303-E320 WeakPolarHBondContact CA-O 3.48Å; Q303-P321 PolarHBondContact NE2-O 2.97Å; Q303-I323 HydrophobicContact CB-CD1 3.82Å; Q303-I323 HydrophobicContact CB-CG1 4.07Å
304	F	81	Confident	79.9	Confident	4 Å²	4	71 Å²	71	2%	0.018	37%	0.37	C	S	.	.			trans	-135.6	120.7	-172.2	-177.4	-100.3	0	0	0	111	L281 Y285 W302 G306 L308 L311 L319 E320	L281-F304 HydrophobicContact CD1-CD2 4.19Å; Y285-F304 AromaticContact CD1-CE2 3.79Å; Y285-F304 HydrophobicContact CD1-CE2 3.79Å; Y285-F304 HydrophobicContact CD1-CZ 4.37Å; Y285-F304 HydrophobicContact CD2-CE2 4.04Å; Y285-F304 HydrophobicContact CD2-CZ 4.5Å; Y285-F304 AromaticContact CE1-CE2 3.98Å; Y285-F304 HydrophobicContact CE1-CE2 3.98Å; Y285-F304 HydrophobicContact CE1-CZ 4.1Å; Y285-F304 HydrophobicContact CE2-CE2 4.2Å; Y285-F304 HydrophobicContact CE2-CZ 4.2Å; Y285-F304 AromaticContact CG-CE2 3.91Å; Y285-F304 HydrophobicContact CG-CE2 3.91Å; W302-F304 HydrophobicContact CD2-CB 4.42Å; W302-F304 HydrophobicContact CD2-CD2 4.5Å; W302-F304 HydrophobicContact CG-CB 4.38Å; W302-F304 HydrophobicContact CH2-CD2 4.41Å; W302-F304 HydrophobicContact CZ2-CD2 4.02Å; W302-F304 HydrophobicContact CZ2-CE2 4.49Å; W302-F304 PolarHBondContact O-N 2.81Å; F304-G306 WeakPolarHBondContact CE1-O 3.38Å; F304-G306 VanDerWaalsContact CZ-CA 3.46Å; F304-L308 HydrophobicContact CD1-CD2 3.93Å; F304-L308 HydrophobicContact CE1-CD2 4.37Å; F304-L311 HydrophobicContact CD1-CD1 3.8Å; F304-L311 HydrophobicContact CD2-CD1 4.13Å; F304-L311 HydrophobicContact CE1-CD1 3.47Å; F304-L311 VanDerWaalsContact CE1-CD1 3.47Å; F304-L311 HydrophobicContact CE1-CG 4.47Å; F304-L311 HydrophobicContact CE2-CD1 3.87Å; F304-L311 HydrophobicContact CG-CD1 4.1Å; F304-L311 HydrophobicContact CZ-CD1 3.52Å; F304-L311 HydrophobicContact CZ-CG 4.29Å; F304-L319 HydrophobicContact CB-CD2 4.27Å; F304-E320 PolarHBondContact N-O 3.34Å
305	N	73.7	Confident	79.6	Confident	62 Å²	62	70.7 Å²	70.7	33%	0.332	38%	0.382	S	S	.	.			trans	-112.4	25.7	178.9	-78.4	-39.1	0	0	0	112.3	A278 P321	A278-N305 PolarHBondContact O-ND2 2.68Å; N305-P321 PolarHBondContact ND2-O 3.06Å; N305-P321 WeakPolarHBondContact OD1-CA 3.28Å; N305-P321 WeakPolarHBondContact OD1-CB 3.11Å; N305-P321 PolarHBondContact OD1-O 3.44Å
306	G	72.8	Confident	79.7	Confident	27 Å²	27	71.7 Å²	71.7	28%	0.278	39%	0.386	S	S	.	.	S	Bend	trans	-99.8	-169.6	174.1	0	0	0	0	0	112.8	F304 L308	F304-G306 WeakPolarHBondContact CE1-O 3.38Å; F304-G306 VanDerWaalsContact CZ-CA 3.46Å; G306-L308 PolarHBondContact O-N 3.04Å
307	N	72.8	Confident	79.6	Confident	102 Å²	102	68.3 Å²	68.3	55%	0.545	36%	0.363	S	S	.	.			trans	-73.8	109.7	177.1	-176.3	-8.4	0	0	0	111	N309 S310	N307-N309 PolarHBondContact O-N 2.98Å; N307-N309 WeakPolarHBondContact OD1-CB 3.38Å; N307-N309 PolarHBondContact OD1-N 3Å; N307-S310 WeakPolarHBondContact O-CB 2.85Å; N307-S310 PolarHBondContact O-N 2.97Å; N307-S310 VanDerWaalsContact O-N 3.11Å; N307-S310 PolarHBondContact O-OG 3.21Å
308	L	68.4	Low	79.4	Confident	97 Å²	97	66.4 Å²	66.4	51%	0.508	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-56.6	-32.8	-179.5	-64.4	171.5	0	0	0	113.1	F304 G306 S310 L311 L319	F304-L308 HydrophobicContact CD1-CD2 3.93Å; F304-L308 HydrophobicContact CE1-CD2 4.37Å; G306-L308 PolarHBondContact O-N 3.04Å; L308-S310 PolarHBondContact O-N 2.85Å; L308-L311 PolarHBondContact O-N 3.39Å; L308-L319 HydrophobicContact CD2-CB 3.75Å; L308-L319 HydrophobicContact CD2-CD1 3.59Å; L308-L319 HydrophobicContact CD2-CG 4.32Å
309	N	68.8	Low	79	Confident	152 Å²	152	65.3 Å²	65.3	81%	0.813	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-69	-6.4	-178.6	-58.5	-8.8	0	0	0	113.6	N307	N307-N309 PolarHBondContact O-N 2.98Å; N307-N309 WeakPolarHBondContact OD1-CB 3.38Å; N307-N309 PolarHBondContact OD1-N 3Å
310	S	67.8	Low	78.6	Confident	49 Å²	49	60.3 Å²	60.3	34%	0.343	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-92.1	-2.9	177.5	69.1	0	0	0	0	114.1	Y285 N307 L308	Y285-S310 PolarHBondContact OH-OG 3.02Å; N307-S310 WeakPolarHBondContact O-CB 2.85Å; N307-S310 PolarHBondContact O-N 2.97Å; N307-S310 VanDerWaalsContact O-N 3.11Å; N307-S310 PolarHBondContact O-OG 3.21Å; L308-S310 PolarHBondContact O-N 2.85Å
311	L	71	Confident	77.8	Confident	20 Å²	20	62.8 Å²	62.8	11%	0.105	35%	0.352	C	S	.	.	S	Bend	trans	-114.3	148.9	-178.5	-65	168.1	0	0	0	109.5	Y285 S289 W302 F304 L308 L319	Y285-L311 HydrophobicContact CD2-CD2 3.86Å; Y285-L311 HydrophobicContact CE2-CD2 3.75Å; Y285-L311 HydrophobicContact CE2-CG 4.3Å; S289-L311 WeakPolarHBondContact OG-CD2 3.47Å; W302-L311 HydrophobicContact CH2-CD2 4.43Å; W302-L311 HydrophobicContact CZ3-CD1 4.29Å; W302-L311 HydrophobicContact CZ3-CD2 4.06Å; F304-L311 HydrophobicContact CD1-CD1 3.8Å; F304-L311 HydrophobicContact CD2-CD1 4.13Å; F304-L311 HydrophobicContact CE1-CD1 3.47Å; F304-L311 VanDerWaalsContact CE1-CD1 3.47Å; F304-L311 HydrophobicContact CE1-CG 4.47Å; F304-L311 HydrophobicContact CE2-CD1 3.87Å; F304-L311 HydrophobicContact CG-CD1 4.1Å; F304-L311 HydrophobicContact CZ-CD1 3.52Å; F304-L311 HydrophobicContact CZ-CG 4.29Å; L308-L311 PolarHBondContact O-N 3.39Å; L311-L319 HydrophobicContact CB-CD1 4.08Å; L311-L319 HydrophobicContact CD1-CD1 3.44Å; L311-L319 VanDerWaalsContact CD1-CD1 3.44Å; L311-L319 HydrophobicContact CD1-CD2 3.95Å; L311-L319 HydrophobicContact CD1-CG 4.35Å; L311-L319 HydrophobicContact CG-CD1 4.4Å
312	S	63.2	Low	77.1	Confident	41 Å²	41	66.1 Å²	66.1	29%	0.287	36%	0.36	S	S	.	.			trans	-68.3	145.4	179.6	51.9	0	0	0	0	111.7	E293 N314	E293-S312 WeakPolarHBondContact OE1-CB 3.46Å; E293-S312 PolarHBondContact OE1-OG 2.95Å; S312-N314 PolarHBondContact O-N 3.28Å; S312-N314 PolarHBondContact OG-ND2 3.21Å
313	N	66.7	Low	76.8	Confident	172 Å²	172	65.4 Å²	65.4	92%	0.92	36%	0.358	S	S	*	.			trans	-81.6	56.4	-176.9	-161	19.6	0	0	0	111.8
314	N	72.7	Confident	76.5	Confident	51 Å²	51	66.1 Å²	66.1	27%	0.273	37%	0.366	S	S	.	.			trans	-85.3	124.1	-174.4	-82.1	-26.1	0	0	0	111.9	E293 S312 H316 L317	E293-N314 WeakPolarHBondContact CG-ND2 3.1Å; E293-N314 PolarHBondContact OE1-ND2 2.94Å; S312-N314 PolarHBondContact O-N 3.28Å; S312-N314 PolarHBondContact OG-ND2 3.21Å; N314-H316 VanDerWaalsContact C-N 3.27Å; N314-H316 PolarHBondContact O-N 3.45Å; N314-L317 HydrophobicContact CB-CB 4.24Å; N314-L317 PolarHBondContact O-N 3.12Å
315	S	79.1	Confident	76.6	Confident	114 Å²	114	66.9 Å²	66.9	80%	0.797	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.3	-171.2	59.6	0	0	0	0	115.2	R299	R299-S315 PolarHBondContact NH1-O 2.92Å; R299-S315 VanDerWaalsContact NH1-O 3.12Å
316	H	89.9	Confident	76.8	Confident	25 Å²	25	66.1 Å²	66.1	12%	0.116	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-14.8	174.1	67.8	-65.7	0	0	0	113.7	F292 Y298 I300 N314	F292-H316 PolarHBondContact O-NE2 3.41Å; Y298-H316 PolarHBondContact O-CD2 3.07Å; I300-H316 PolarHBondContact N-O 3.33Å; N314-H316 VanDerWaalsContact C-N 3.27Å; N314-H316 PolarHBondContact O-N 3.45Å
317	L	88.5	Confident	77.1	Confident	18 Å²	18	68.4 Å²	68.4	9%	0.094	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	107.7	178.1	-179	59.2	0	0	0	111	F292 I300 W302 N314 L319	F292-L317 HydrophobicContact CD2-CD1 4Å; I300-L317 HydrophobicContact CB-CD1 3.93Å; I300-L317 HydrophobicContact CG2-CD1 3.62Å; W302-L317 HydrophobicContact CB-CD1 4.29Å; W302-L317 HydrophobicContact CE3-CD1 4.26Å; N314-L317 HydrophobicContact CB-CB 4.24Å; N314-L317 PolarHBondContact O-N 3.12Å; L317-L319 HydrophobicContact CD1-CD2 4.08Å; L317-L319 HydrophobicContact CD2-CD2 4.08Å; L317-L319 HydrophobicContact CG-CD2 3.91Å; L317-L319 HydrophobicContact CG-CG 4.34Å
318	K	86.7	Confident	77.9	Confident	84 Å²	84	65.8 Å²	65.8	37%	0.365	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	110.6	173.7	-174.3	174.8	-178.4	-166.3	0	110.6	I300 V301 W302 E320	I300-K318 PolarHBondContact O-N 2.84Å; V301-K318 WeakPolarHBondContact CA-O 3.48Å; V301-K318 HydrophobicContact CG1-CB 4.4Å; W302-K318 PolarHBondContact N-O 3.16Å; K318-E320 HydrophobicContact CD-CG 4.45Å; K318-E320 WeakPolarHBondContact CE-OE1 3.34Å; K318-E320 HydrophobicContact CG-CG 4.33Å; K318-E320 IonicContact NZ-OE1 2.81Å; K318-E320 PolarHBondContact NZ-OE1 3.19Å
319	L	85.5	Confident	78.8	Confident	41 Å²	41	61.5 Å²	61.5	22%	0.215	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134.5	173.5	-54.1	176.2	0	0	0	110.2	W302 F304 L308 L311 L317	W302-L319 HydrophobicContact CB-CD2 4.08Å; W302-L319 HydrophobicContact CD2-CD2 4.2Å; W302-L319 HydrophobicContact CE3-CD2 3.7Å; W302-L319 HydrophobicContact CG-CD2 4.39Å; F304-L319 HydrophobicContact CB-CD2 4.27Å; L308-L319 HydrophobicContact CD2-CB 3.75Å; L308-L319 HydrophobicContact CD2-CD1 3.59Å; L308-L319 HydrophobicContact CD2-CG 4.32Å; L311-L319 HydrophobicContact CB-CD1 4.08Å; L311-L319 HydrophobicContact CD1-CD1 3.44Å; L311-L319 VanDerWaalsContact CD1-CD1 3.44Å; L311-L319 HydrophobicContact CD1-CD2 3.95Å; L311-L319 HydrophobicContact CD1-CG 4.35Å; L311-L319 HydrophobicContact CG-CD1 4.4Å; L317-L319 HydrophobicContact CD1-CD2 4.08Å; L317-L319 HydrophobicContact CD2-CD2 4.08Å; L317-L319 HydrophobicContact CG-CD2 3.91Å; L317-L319 HydrophobicContact CG-CG 4.34Å
320	E	82.7	Confident	79.5	Confident	61 Å²	61	60.7 Å²	60.7	29%	0.285	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	137.9	177.6	-75.8	-74.7	-166.5	0	0	110.8	W302 Q303 F304 K318 W322 I323	W302-E320 PolarHBondContact O-N 3.36Å; Q303-E320 CarbonylContact C-O 3.6Å; Q303-E320 WeakPolarHBondContact CA-O 3.48Å; F304-E320 PolarHBondContact N-O 3.34Å; K318-E320 HydrophobicContact CD-CG 4.45Å; K318-E320 WeakPolarHBondContact CE-OE1 3.34Å; K318-E320 HydrophobicContact CG-CG 4.33Å; K318-E320 IonicContact NZ-OE1 2.81Å; K318-E320 PolarHBondContact NZ-OE1 3.19Å; E320-W322 PolarHBondContact O-N 2.9Å; E320-I323 HydrophobicContact CB-CG1 3.9Å
321	P	75.7	Confident	80.3	Confident	75 Å²	75	62.8 Å²	62.8	49%	0.487	34%	0.339	S	S	.	.	S	Bend	trans	-70.5	-23.7	174.9	28.7	-34.5	0	0	0	112.8	Q303 N305	Q303-P321 PolarHBondContact NE2-O 2.97Å; N305-P321 PolarHBondContact ND2-O 3.06Å; N305-P321 WeakPolarHBondContact OD1-CA 3.28Å; N305-P321 WeakPolarHBondContact OD1-CB 3.11Å; N305-P321 PolarHBondContact OD1-O 3.44Å
322	W	78.3	Confident	81	Confident	119 Å²	119	67.7 Å²	67.7	45%	0.451	37%	0.372	S	S	.	.			trans	-146.2	137.4	175.4	-174.9	77.7	0	0	0	111.7	P276 K277 E320 P324	P276-W322 PolarHBondContact O-NE1 2.63Å; P276-W322 VanDerWaalsContact O-NE1 3.09Å; K277-W322 HydrophobicContact CG-CG 4.42Å; E320-W322 PolarHBondContact O-N 2.9Å; W322-P324 HydrophobicContact CH2-CB 3.78Å; W322-P324 HydrophobicContact CZ3-CB 3.9Å; W322-P324 HydrophobicContact CZ3-CG 4.31Å
323	I	82.4	Confident	82.4	Confident	15 Å²	15	73.9 Å²	73.9	8%	0.077	39%	0.394	C	S	.	.			trans	-121	135.4	178.5	-62.4	-179.3	0	0	0	108.6	V301 Q303 E320 L325 L328	V301-I323 HydrophobicContact CB-CD1 4.46Å; V301-I323 HydrophobicContact CG1-CD1 3.67Å; V301-I323 HydrophobicContact CG1-CG1 4.42Å; Q303-I323 HydrophobicContact CB-CD1 3.82Å; Q303-I323 HydrophobicContact CB-CG1 4.07Å; E320-I323 HydrophobicContact CB-CG1 3.9Å; I323-L325 PolarHBondContact O-N 3.4Å; I323-L328 HydrophobicContact CD1-CD2 4.41Å; I323-L328 HydrophobicContact CG2-CB 4.06Å; I323-L328 HydrophobicContact CG2-CD2 3.65Å; I323-L328 HydrophobicContact CG2-CG 4.48Å
324	P	79.9	Confident	83.6	Confident	59 Å²	59	66.8 Å²	66.8	38%	0.383	36%	0.357	S	S	.	.			trans	-70.7	77.6	164.8	31.1	-33.9	0	0	0	109.3	W322 S327 L328	W322-P324 HydrophobicContact CH2-CB 3.78Å; W322-P324 HydrophobicContact CZ3-CB 3.9Å; W322-P324 HydrophobicContact CZ3-CG 4.31Å; P324-S327 PolarHBondContact O-N 2.76Å; P324-S327 VanDerWaalsContact O-N 3.09Å; P324-L328 PolarHBondContact O-N 3.3Å
325	L	82.7	Confident	84.7	Confident	21 Å²	21	67.8 Å²	67.8	11%	0.11	37%	0.365	C	S	.	.	H	α-helix	trans	-54.3	-42.2	-169.1	-178.3	63	0	0	0	113.8	I323 S327 L328 L329 F337 E348	I323-L325 PolarHBondContact O-N 3.4Å; L325-S327 PolarHBondContact O-N 2.77Å; L325-L328 PolarHBondContact O-N 3.16Å; L325-L329 HydrophobicContact CD1-CD1 3.84Å; L325-L329 HydrophobicContact CD1-CD2 4.25Å; L325-L329 HydrophobicContact CD1-CG 3.78Å; L325-L329 HydrophobicContact CD2-CD1 4.42Å; L325-L329 HydrophobicContact CG-CD1 3.8Å; L325-L329 HydrophobicContact CG-CG 4.17Å; L325-L329 WeakPolarHBondContact O-CB 3.39Å; L325-L329 WeakPolarHBondContact O-CG 3.17Å; L325-L329 PolarHBondContact O-N 3.43Å; L325-F337 HydrophobicContact CD1-CE1 4.35Å; L325-F337 HydrophobicContact CD1-CE2 3.88Å; L325-F337 HydrophobicContact CD1-CZ 3.77Å; L325-F337 HydrophobicContact CD2-CE1 4.15Å; L325-F337 HydrophobicContact CD2-CZ 3.67Å; L325-F337 HydrophobicContact CG-CZ 4.32Å; L325-E348 WeakPolarHBondContact CD2-OE2 3.43Å
326	P	77.9	Confident	85.6	Confident	45 Å²	45	63.8 Å²	63.8	29%	0.292	34%	0.335	S	S	.	.	H	α-helix	trans	-57.9	-47.3	175.2	-26.9	36.6	0	0	0	113.3	L328 L329 Q330 F352	P326-L328 VanDerWaalsContact C-N 3.31Å; P326-L328 PolarHBondContact O-N 2.81Å; P326-L329 PolarHBondContact O-N 2.62Å; P326-Q330 VanDerWaalsContact O-CB 3.27Å; P326-Q330 WeakPolarHBondContact O-CB 3.48Å; P326-Q330 PolarHBondContact O-N 2.91Å; P326-F352 HydrophobicContact CB-CE2 3.8Å; P326-F352 HydrophobicContact CB-CZ 3.83Å
327	S	79.1	Confident	85.9	Confident	75 Å²	75	64 Å²	64	52%	0.524	34%	0.335	S	S	.	.	H	α-helix	trans	-64.9	-34.3	178.5	-49	0	0	0	0	112.5	P324 L325 H331	P324-S327 PolarHBondContact O-N 2.76Å; P324-S327 VanDerWaalsContact O-N 3.09Å; L325-S327 PolarHBondContact O-N 2.77Å; S327-H331 PolarHBondContact O-N 3.2Å
328	L	88.5	Confident	86.2	Confident	47 Å²	47	65.6 Å²	65.6	25%	0.246	34%	0.343	C	S	.	.	H	α-helix	trans	-71.1	-43.5	175.5	-177.2	64	0	0	0	111.6	V301 I323 P324 L325 P326 H331 T334	V301-L328 HydrophobicContact CB-CD2 4.03Å; V301-L328 HydrophobicContact CG1-CD2 4.29Å; V301-L328 HydrophobicContact CG2-CD1 4.3Å; I323-L328 HydrophobicContact CD1-CD2 4.41Å; I323-L328 HydrophobicContact CG2-CB 4.06Å; I323-L328 HydrophobicContact CG2-CD2 3.65Å; I323-L328 HydrophobicContact CG2-CG 4.48Å; P324-L328 PolarHBondContact O-N 3.3Å; L325-L328 PolarHBondContact O-N 3.16Å; P326-L328 VanDerWaalsContact C-N 3.31Å; P326-L328 PolarHBondContact O-N 2.81Å; L328-H331 WeakPolarHBondContact O-CB 3.26Å; L328-H331 PolarHBondContact O-N 3.11Å; L328-T334 WeakPolarHBondContact O-CB 3.2Å; L328-T334 PolarHBondContact O-OG1 3.12Å
329	L	88.3	Confident	86.4	Confident	7 Å²	7	62 Å²	62	4%	0.037	33%	0.328	C	S	.	.	H	α-helix	trans	-69.2	-36.4	179.2	-68.3	175.8	0	0	0	112.2	L325 P326 H331 T334 F337 E348 F352 V354	L325-L329 HydrophobicContact CD1-CD1 3.84Å; L325-L329 HydrophobicContact CD1-CD2 4.25Å; L325-L329 HydrophobicContact CD1-CG 3.78Å; L325-L329 HydrophobicContact CD2-CD1 4.42Å; L325-L329 HydrophobicContact CG-CD1 3.8Å; L325-L329 HydrophobicContact CG-CG 4.17Å; L325-L329 WeakPolarHBondContact O-CB 3.39Å; L325-L329 WeakPolarHBondContact O-CG 3.17Å; L325-L329 PolarHBondContact O-N 3.43Å; P326-L329 PolarHBondContact O-N 2.62Å; L329-H331 PolarHBondContact O-N 3.32Å; L329-T334 HydrophobicContact CD2-CG2 4.13Å; L329-F337 HydrophobicContact CD1-CD1 4.09Å; L329-F337 HydrophobicContact CD1-CE1 4.1Å; L329-F337 HydrophobicContact CD2-CB 3.76Å; L329-F337 HydrophobicContact CD2-CD1 3.81Å; L329-F337 HydrophobicContact CD2-CD2 4.28Å; L329-F337 HydrophobicContact CD2-CE1 4.45Å; L329-F337 HydrophobicContact CD2-CG 3.72Å; L329-E348 HydrophobicContact CD1-CB 3.78Å; L329-F352 HydrophobicContact CB-CB 3.83Å; L329-F352 HydrophobicContact CB-CD2 3.49Å; L329-F352 VanDerWaalsContact CB-CD2 3.49Å; L329-F352 HydrophobicContact CB-CE2 4.4Å; L329-F352 HydrophobicContact CB-CG 3.89Å; L329-F352 HydrophobicContact CD1-CD2 4.11Å; L329-F352 HydrophobicContact CG-CD2 4.46Å; L329-V354 HydrophobicContact CB-CG2 4.24Å; L329-V354 HydrophobicContact CD2-CB 4.27Å; L329-V354 HydrophobicContact CD2-CG1 4.24Å; L329-V354 HydrophobicContact CD2-CG2 4.07Å; L329-V354 WeakPolarHBondContact O-CG2 3.46Å
330	Q	82.7	Confident	86.6	Confident	136 Å²	136	63.5 Å²	63.5	64%	0.636	33%	0.334	S	S	*	.	H	α-helix	trans	-67.5	-21.2	174.7	-168.4	176.2	42.3	0	0	113.1	P326 F352	P326-Q330 VanDerWaalsContact O-CB 3.27Å; P326-Q330 WeakPolarHBondContact O-CB 3.48Å; P326-Q330 PolarHBondContact O-N 2.91Å; Q330-F352 HydrophobicContact CB-CD1 3.68Å; Q330-F352 HydrophobicContact CB-CE1 3.85Å; Q330-F352 HydrophobicContact CB-CG 4.33Å; Q330-F352 HydrophobicContact CG-CD1 4.03Å; Q330-F352 HydrophobicContact CG-CE1 4.13Å
331	H	85.3	Confident	86.9	Confident	92 Å²	92	60.6 Å²	60.6	43%	0.426	32%	0.32	S	S	.	.	S	Bend	trans	-66.8	129.9	-176.3	-176.2	-93.4	0	0	0	111.5	S327 L328 L329 K333 T334	S327-H331 PolarHBondContact O-N 3.2Å; L328-H331 WeakPolarHBondContact O-CB 3.26Å; L328-H331 PolarHBondContact O-N 3.11Å; L329-H331 PolarHBondContact O-N 3.32Å; H331-K333 PolarHBondContact ND1-N 3.05Å; H331-K333 PolarHBondContact O-N 3.24Å; H331-T334 VanDerWaalsContact O-CB 3.31Å; H331-T334 WeakPolarHBondContact O-CB 2.94Å; H331-T334 PolarHBondContact O-N 3.21Å; H331-T334 PolarHBondContact O-OG1 2.87Å
332	P	85.8	Confident	87.4	Confident	123 Å²	123	57.5 Å²	57.5	80%	0.799	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.9	-168.3	24.7	-35.8	0	0	0	115.2
333	K	93	Very high	87.5	Confident	172 Å²	172	52.4 Å²	52.4	75%	0.748	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	1.1	173	-57.4	-172.5	178.8	-179.1	0	113.9	H331 V335	H331-K333 PolarHBondContact ND1-N 3.05Å; H331-K333 PolarHBondContact O-N 3.24Å; K333-V335 PolarHBondContact O-N 2.94Å
334	T	92.1	Very high	87.3	Confident	23 Å²	23	53.2 Å²	53.2	14%	0.141	29%	0.287	C	S	.	.			trans	-85.4	104.6	179.3	-61.3	0	0	0	0	110.1	L328 L329 H331 V354	L328-T334 WeakPolarHBondContact O-CB 3.2Å; L328-T334 PolarHBondContact O-OG1 3.12Å; L329-T334 HydrophobicContact CD2-CG2 4.13Å; H331-T334 VanDerWaalsContact O-CB 3.31Å; H331-T334 WeakPolarHBondContact O-CB 2.94Å; H331-T334 PolarHBondContact O-N 3.21Å; H331-T334 PolarHBondContact O-OG1 2.87Å; T334-V354 HydrophobicContact CG2-CG1 4.01Å; T334-V354 HydrophobicContact CG2-CG2 4.19Å
335	V	95.8	Very high	87.5	Confident	72 Å²	72	51.2 Å²	51.2	44%	0.436	27%	0.274	S	S	.	.			trans	-102.5	-20.5	-170.4	-67.3	0	0	0	0	114.3	Y298 K333 P355 L399	Y298-V335 HydrophobicContact CD1-CG2 4.19Å; Y298-V335 HydrophobicContact CE1-CG2 4.08Å; K333-V335 PolarHBondContact O-N 2.94Å; V335-P355 WeakPolarHBondContact O-CD 3.28Å; V335-L399 HydrophobicContact CB-CD2 4.24Å; V335-L399 HydrophobicContact CG2-CD2 3.57Å
336	L	97.1	Very high	87.8	Confident	30 Å²	30	50.2 Å²	50.2	16%	0.157	27%	0.269	C	S	.	.			trans	-150.4	140.8	-179.3	174	65.1	0	0	0	109.5	I338 L357 V395 V398 L399	L336-I338 HydrophobicContact CD2-CD1 4.33Å; L336-I338 HydrophobicContact CD2-CG1 4.02Å; L336-I338 HydrophobicContact CG-CG1 4.17Å; L336-L357 HydrophobicContact CD1-CB 4.18Å; L336-V395 HydrophobicContact CD2-CG1 3.91Å; L336-V398 HydrophobicContact CD1-CB 4.14Å; L336-V398 HydrophobicContact CD1-CG1 3.62Å; L336-L399 HydrophobicContact CB-CD2 3.72Å; L336-L399 HydrophobicContact CB-CG 4.44Å; L336-L399 HydrophobicContact CD2-CD1 4.41Å; L336-L399 HydrophobicContact CD2-CD2 4.21Å; L336-L399 HydrophobicContact CD2-CG 4.07Å
337	F	95.7	Very high	88.1	Confident	30 Å²	30	48.7 Å²	48.7	13%	0.132	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.5	168.3	-179.4	-152.6	0	0	0	110.9	L325 L329 T339 A349 V354 P355 M356 L357	L325-F337 HydrophobicContact CD1-CE1 4.35Å; L325-F337 HydrophobicContact CD1-CE2 3.88Å; L325-F337 HydrophobicContact CD1-CZ 3.77Å; L325-F337 HydrophobicContact CD2-CE1 4.15Å; L325-F337 HydrophobicContact CD2-CZ 3.67Å; L325-F337 HydrophobicContact CG-CZ 4.32Å; L329-F337 HydrophobicContact CD1-CD1 4.09Å; L329-F337 HydrophobicContact CD1-CE1 4.1Å; L329-F337 HydrophobicContact CD2-CB 3.76Å; L329-F337 HydrophobicContact CD2-CD1 3.81Å; L329-F337 HydrophobicContact CD2-CD2 4.28Å; L329-F337 HydrophobicContact CD2-CE1 4.45Å; L329-F337 HydrophobicContact CD2-CG 3.72Å; F337-T339 HydrophobicContact CD1-CG2 4.04Å; F337-T339 HydrophobicContact CE1-CG2 4.05Å; F337-T339 HydrophobicContact CG-CG2 4.43Å; F337-T339 HydrophobicContact CZ-CG2 4.42Å; F337-A349 HydrophobicContact CD1-CB 3.94Å; F337-V354 HydrophobicContact CB-CG1 3.9Å; F337-P355 PolarHBondContact N-O 3.22Å; F337-M356 WeakPolarHBondContact O-CA 3.32Å; F337-L357 PolarHBondContact O-N 2.78Å
338	I	94.7	Very high	88.4	Confident	51 Å²	51	45.7 Å²	45.7	26%	0.262	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.1	173.9	-49.2	-176.3	0	0	0	107.9	F292 L336 L357 V359 F391 V395	F292-I338 HydrophobicContact CE1-CD1 3.79Å; F292-I338 HydrophobicContact CZ-CD1 4.12Å; L336-I338 HydrophobicContact CD2-CD1 4.33Å; L336-I338 HydrophobicContact CD2-CG1 4.02Å; L336-I338 HydrophobicContact CG-CG1 4.17Å; I338-L357 WeakPolarHBondContact CA-O 3.44Å; I338-L357 HydrophobicContact CG1-CB 4.22Å; I338-L357 HydrophobicContact CG2-CB 4.34Å; I338-L357 HydrophobicContact CG2-CD2 4.41Å; I338-L357 HydrophobicContact CG2-CG 4.35Å; I338-V359 HydrophobicContact CG2-CG2 4.41Å; I338-F391 HydrophobicContact CD1-CZ 3.8Å; I338-F391 HydrophobicContact CG2-CE2 4.11Å; I338-F391 HydrophobicContact CG2-CZ 4.08Å; I338-V395 HydrophobicContact CD1-CG2 3.96Å
339	T	92	Very high	88.5	Confident	9 Å²	9	43.5 Å²	43.5	6%	0.055	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	143.8	-169.6	-178.7	0	0	0	0	113.6	F337 S341 S345 M356 L357 S358 V359	F337-T339 HydrophobicContact CD1-CG2 4.04Å; F337-T339 HydrophobicContact CE1-CG2 4.05Å; F337-T339 HydrophobicContact CG-CG2 4.43Å; F337-T339 HydrophobicContact CZ-CG2 4.42Å; T339-S341 PolarHBondContact O-N 3.24Å; T339-S341 PolarHBondContact O-OG 3.37Å; T339-S341 PolarHBondContact OG1-N 3.4Å; T339-S341 VanDerWaalsContact OG1-N 3.1Å; T339-S345 WeakPolarHBondContact OG1-CB 3.35Å; T339-M356 HydrophobicContact CG2-CG 4.27Å; T339-M356 HydrophobicContact CG2-SD 4.26Å; T339-L357 PolarHBondContact N-O 3.2Å; T339-S358 CarbonylContact O-C 3.47Å; T339-S358 VanDerWaalsContact O-CA 3.26Å; T339-S358 WeakPolarHBondContact O-CA 3.37Å; T339-V359 PolarHBondContact O-N 3.39Å
340	H	89.4	Confident	88.6	Confident	71 Å²	71	43.1 Å²	43.1	33%	0.329	22%	0.222	S	C	.	.			trans	-59.8	-6.9	165.7	73.6	-41.3	0	0	0	114.7	G342 V359 P360 L361 Q365	H340-G342 VanDerWaalsContact C-N 3.3Å; H340-G342 PolarHBondContact O-N 3.34Å; H340-V359 WeakPolarHBondContact CA-O 3.37Å; H340-P360 WeakPolarHBondContact O-CA 3.5Å; H340-L361 HydrophobicContact CB-CD1 4.17Å; H340-L361 HydrophobicContact CB-CG 3.95Å; H340-Q365 VanDerWaalsContact O-CB 3.27Å; H340-Q365 WeakPolarHBondContact O-CB 3.48Å; H340-Q365 WeakPolarHBondContact O-CG 3.31Å
341	S	89.5	Confident	88.7	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.			trans	62	31.3	176.7	-49.8	0	0	0	0	114.6	T339 M343 S358 N368	T339-S341 PolarHBondContact O-N 3.24Å; T339-S341 PolarHBondContact O-OG 3.37Å; T339-S341 PolarHBondContact OG1-N 3.4Å; T339-S341 VanDerWaalsContact OG1-N 3.1Å; S341-M343 PolarHBondContact O-N 3.44Å; S341-S358 WeakPolarHBondContact OG-CA 3.46Å; S341-S358 WeakPolarHBondContact OG-CB 3.4Å; S341-S358 PolarHBondContact OG-OG 3.43Å; S341-N368 WeakPolarHBondContact O-CB 3.38Å; S341-N368 PolarHBondContact O-ND2 3.46Å
342	G	84.4	Confident	88.8	Confident	11 Å²	11	37.4 Å²	37.4	11%	0.113	20%	0.199	C	C	.	.			trans	-53.5	140.3	161.1	0	0	0	0	0	109.8	H340 K344 S345 F346	H340-G342 VanDerWaalsContact C-N 3.3Å; H340-G342 PolarHBondContact O-N 3.34Å; G342-K344 PolarHBondContact O-N 3.11Å; G342-S345 PolarHBondContact O-N 3.45Å; G342-F346 PolarHBondContact O-N 3.17Å
343	M	81.8	Confident	89.1	Confident	12 Å²	12	32.1 Å²	32.1	6%	0.059	17%	0.166	C	C	.	.	H	α-helix	trans	-32.6	-46.6	-170.9	178.5	56.7	59.9	0	0	114.9	L169 S253 L254 S341 F346 R347 D364 N368	L169-M343 HydrophobicContact CB-CE 4.49Å; L169-M343 HydrophobicContact CD1-CE 4.49Å; S253-M343 WeakPolarHBondContact OG-CG 3.49Å; L254-M343 HydrophobicContact CB-SD 4.18Å; L254-M343 HydrophobicContact CD1-SD 3.81Å; L254-M343 HydrophobicContact CG-SD 4.43Å; S341-M343 PolarHBondContact O-N 3.44Å; M343-F346 WeakPolarHBondContact O-CB 2.97Å; M343-R347 WeakPolarHBondContact O-CG 3.28Å; M343-R347 PolarHBondContact O-N 3.25Å; M343-R347 VanDerWaalsContact O-N 3.1Å; M343-D364 PolarHBondContact N-OD2 2.92Å; M343-N368 WeakPolarHBondContact CA-ND2 3.4Å; M343-N368 WeakPolarHBondContact CE-OD1 3.43Å; M343-N368 PolarHBondContact N-ND2 3.26Å
344	K	77.5	Confident	89.1	Confident	32 Å²	32	24 Å²	24	14%	0.139	13%	0.13	C	C	.	.	H	α-helix	trans	-77.4	-45.7	-175.1	-174.9	-174.6	-163.1	173.1	0	114.6	Y273 A274 C275 G342 F346 R347 E348	Y273-K344 VanDerWaalsContact C-CE 3.44Å; Y273-K344 WeakPolarHBondContact O-CE 3.37Å; A274-K344 WeakPolarHBondContact O-CE 3.43Å; A274-K344 PolarHBondContact O-NZ 2.94Å; C275-K344 VanDerWaalsContact SG-CD 3.5Å; C275-K344 WeakPolarHBondContact SG-CE 3.47Å; G342-K344 PolarHBondContact O-N 3.11Å; K344-F346 PolarHBondContact O-N 2.92Å; K344-R347 CarbonylContact O-C 3.6Å; K344-R347 WeakPolarHBondContact O-CB 3.44Å; K344-R347 PolarHBondContact O-N 3.46Å; K344-E348 WeakPolarHBondContact O-CG 3.37Å; K344-E348 PolarHBondContact O-N 3.41Å
345	S	84.1	Confident	89.4	Confident	16 Å²	16	23 Å²	23	11%	0.112	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-32.8	173.1	-58.4	0	0	0	0	111.2	T339 G342 A349	T339-S345 WeakPolarHBondContact OG1-CB 3.35Å; G342-S345 PolarHBondContact O-N 3.45Å; S345-A349 WeakPolarHBondContact O-CB 3.35Å; S345-A349 PolarHBondContact O-N 3.45Å
346	F	88.7	Confident	89.4	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.9	-45.5	170	168.9	-97.4	0	0	0	111.9	L254 L258 G342 M343 K344 I350 M356 N368 L371 T372	L254-F346 HydrophobicContact CD1-CE1 4.18Å; L258-F346 HydrophobicContact CD1-CE1 4.29Å; G342-F346 PolarHBondContact O-N 3.17Å; M343-F346 WeakPolarHBondContact O-CB 2.97Å; K344-F346 PolarHBondContact O-N 2.92Å; F346-I350 HydrophobicContact CD1-CD1 4.27Å; F346-I350 HydrophobicContact CD2-CD1 4.32Å; F346-I350 HydrophobicContact CE1-CD1 3.79Å; F346-I350 HydrophobicContact CE2-CD1 3.84Å; F346-I350 HydrophobicContact CZ-CD1 3.55Å; F346-I350 VanDerWaalsContact O-CG1 3.32Å; F346-I350 WeakPolarHBondContact O-CG1 3.42Å; F346-I350 PolarHBondContact O-N 3.03Å; F346-M356 HydrophobicContact CD2-CE 3.71Å; F346-M356 HydrophobicContact CD2-SD 3.99Å; F346-M356 HydrophobicContact CE2-CE 3.99Å; F346-N368 HydrophobicContact CB-CB 4.28Å; F346-N368 HydrophobicContact CD2-CB 4.23Å; F346-N368 WeakPolarHBondContact CE2-O 3.48Å; F346-N368 HydrophobicContact CG-CB 4.1Å; F346-L371 HydrophobicContact CE1-CD1 4.21Å; F346-L371 HydrophobicContact CE2-CB 3.93Å; F346-L371 HydrophobicContact CZ-CB 3.66Å; F346-L371 HydrophobicContact CZ-CD1 4.05Å; F346-T372 WeakPolarHBondContact CD2-OG1 3.42Å; F346-T372 WeakPolarHBondContact CE2-OG1 3.31Å
347	R	84.1	Confident	89.4	Confident	14 Å²	14	18.2 Å²	18.2	5%	0.053	10%	0.096	C	C	.	.	H	α-helix	trans	-64.1	-53.5	174	-68.7	-179.6	84.4	104.4	-9.1	113.3	S253 L254 D272 M343 K344 A349 I350 C351	S253-R347 PolarHBondContact O-NH1 3.29Å; L254-R347 VanDerWaalsContact CA-NH1 3.26Å; D272-R347 WeakPolarHBondContact OD1-CD 3.03Å; D272-R347 IonicContact OD1-CZ 2.88Å; D272-R347 IonicContact OD1-NE 3.64Å; D272-R347 PolarHBondContact OD1-NE 2.69Å; D272-R347 VanDerWaalsContact OD1-NE 3.08Å; D272-R347 IonicContact OD2-CZ 3.26Å; D272-R347 IonicContact OD2-NE 2.66Å; D272-R347 PolarHBondContact OD2-NE 3.06Å; D272-R347 IonicContact OD2-NH2 3.81Å; D272-R347 PolarHBondContact OD2-NH2 3.26Å; M343-R347 WeakPolarHBondContact O-CG 3.28Å; M343-R347 PolarHBondContact O-N 3.25Å; M343-R347 VanDerWaalsContact O-N 3.1Å; K344-R347 CarbonylContact O-C 3.6Å; K344-R347 WeakPolarHBondContact O-CB 3.44Å; K344-R347 PolarHBondContact O-N 3.46Å; R347-A349 PolarHBondContact O-N 2.66Å; R347-I350 CarbonylContact O-C 3.47Å; R347-I350 WeakPolarHBondContact O-CA 3.47Å; R347-I350 PolarHBondContact O-N 2.86Å; R347-C351 PolarHBondContact O-N 3.41Å; R347-C351 PolarHBondContact O-SG 2.71Å
348	E	85.2	Confident	89.3	Confident	12 Å²	12	16.8 Å²	16.8	6%	0.056	9%	0.09	C	C	.	.	H	α-helix	trans	-55.1	-41.4	-176.3	-71	170.3	146.3	0	0	110.5	C275 L325 L329 K344 I350 C351 F352	C275-E348 PolarHBondContact SG-OE1 3.48Å; C275-E348 PolarHBondContact SG-OE2 3.06Å; L325-E348 WeakPolarHBondContact CD2-OE2 3.43Å; L329-E348 HydrophobicContact CD1-CB 3.78Å; K344-E348 WeakPolarHBondContact O-CG 3.37Å; K344-E348 PolarHBondContact O-N 3.41Å; E348-I350 VanDerWaalsContact C-N 3.34Å; E348-I350 PolarHBondContact O-N 2.93Å; E348-C351 PolarHBondContact O-N 3.48Å; E348-F352 HydrophobicContact CB-CD2 4.38Å; E348-F352 HydrophobicContact CB-CE2 4.36Å; E348-F352 WeakPolarHBondContact O-CD2 3.44Å; E348-F352 PolarHBondContact O-N 2.87Å
349	A	91.2	Very high	89.1	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-55.9	-45.8	172.3	0	0	0	0	0	112.7	F337 S345 R347 A353 V354 M356	F337-A349 HydrophobicContact CD1-CB 3.94Å; S345-A349 WeakPolarHBondContact O-CB 3.35Å; S345-A349 PolarHBondContact O-N 3.45Å; R347-A349 PolarHBondContact O-N 2.66Å; A349-A353 PolarHBondContact O-N 3.29Å; A349-A353 VanDerWaalsContact O-N 3.12Å; A349-V354 PolarHBondContact O-N 3.32Å; A349-M356 HydrophobicContact CB-CE 3.91Å; A349-M356 HydrophobicContact CB-CG 3.51Å; A349-M356 HydrophobicContact CB-SD 3.47Å; A349-M356 WeakPolarHBondContact CB-SD 3.37Å
350	I	90.5	Very high	88.9	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-71.7	-45.6	-179.4	-59.6	172	0	0	0	110.9	L258 F346 R347 E348 F352 A353 M356 L377 V408 L411 S412 L415	L258-I350 HydrophobicContact CD1-CD1 4.43Å; L258-I350 HydrophobicContact CD2-CD1 3.58Å; L258-I350 HydrophobicContact CD2-CG2 4.39Å; F346-I350 HydrophobicContact CD1-CD1 4.27Å; F346-I350 HydrophobicContact CD2-CD1 4.32Å; F346-I350 HydrophobicContact CE1-CD1 3.79Å; F346-I350 HydrophobicContact CE2-CD1 3.84Å; F346-I350 HydrophobicContact CZ-CD1 3.55Å; F346-I350 VanDerWaalsContact O-CG1 3.32Å; F346-I350 WeakPolarHBondContact O-CG1 3.42Å; F346-I350 PolarHBondContact O-N 3.03Å; R347-I350 CarbonylContact O-C 3.47Å; R347-I350 WeakPolarHBondContact O-CA 3.47Å; R347-I350 PolarHBondContact O-N 2.86Å; E348-I350 VanDerWaalsContact C-N 3.34Å; E348-I350 PolarHBondContact O-N 2.93Å; I350-F352 VanDerWaalsContact C-N 3.31Å; I350-F352 PolarHBondContact O-N 3.21Å; I350-A353 PolarHBondContact O-N 3.4Å; I350-M356 HydrophobicContact CD1-CE 4.17Å; I350-M356 HydrophobicContact CG1-CE 3.78Å; I350-L377 HydrophobicContact CD1-CD1 3.58Å; I350-L377 HydrophobicContact CG1-CD1 3.94Å; I350-V408 HydrophobicContact CB-CG2 4.35Å; I350-V408 HydrophobicContact CG1-CG2 4.21Å; I350-V408 HydrophobicContact CG2-CG2 4.36Å; I350-L411 HydrophobicContact CD1-CD2 4.33Å; I350-L411 HydrophobicContact CG2-CB 4.3Å; I350-L411 HydrophobicContact CG2-CD2 3.93Å; I350-L411 HydrophobicContact CG2-CG 3.82Å; I350-S412 WeakPolarHBondContact O-CB 3.34Å; I350-S412 PolarHBondContact O-OG 2.92Å; I350-L415 HydrophobicContact CG2-CD1 3.63Å
351	C	84	Confident	88.6	Confident	48 Å²	48	12.8 Å²	12.8	32%	0.324	7%	0.072	S	C	.	.	H	α-helix	trans	-56.8	-45.3	178.1	-62.2	0	0	0	0	111.2	R347 E348 A353 S412	R347-C351 PolarHBondContact O-N 3.41Å; R347-C351 PolarHBondContact O-SG 2.71Å; E348-C351 PolarHBondContact O-N 3.48Å; C351-A353 VanDerWaalsContact C-N 3.27Å; C351-A353 PolarHBondContact O-N 2.89Å; C351-S412 PolarHBondContact O-OG 2.96Å
352	F	87	Confident	88	Confident	60 Å²	60	15.1 Å²	15.1	26%	0.263	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	10	176	-58.7	-59.3	0	0	0	114.6	P326 L329 Q330 E348 I350 V354	P326-F352 HydrophobicContact CB-CE2 3.8Å; P326-F352 HydrophobicContact CB-CZ 3.83Å; L329-F352 HydrophobicContact CB-CB 3.83Å; L329-F352 HydrophobicContact CB-CD2 3.49Å; L329-F352 VanDerWaalsContact CB-CD2 3.49Å; L329-F352 HydrophobicContact CB-CE2 4.4Å; L329-F352 HydrophobicContact CB-CG 3.89Å; L329-F352 HydrophobicContact CD1-CD2 4.11Å; L329-F352 HydrophobicContact CG-CD2 4.46Å; Q330-F352 HydrophobicContact CB-CD1 3.68Å; Q330-F352 HydrophobicContact CB-CE1 3.85Å; Q330-F352 HydrophobicContact CB-CG 4.33Å; Q330-F352 HydrophobicContact CG-CD1 4.03Å; Q330-F352 HydrophobicContact CG-CE1 4.13Å; E348-F352 HydrophobicContact CB-CD2 4.38Å; E348-F352 HydrophobicContact CB-CE2 4.36Å; E348-F352 WeakPolarHBondContact O-CD2 3.44Å; E348-F352 PolarHBondContact O-N 2.87Å; I350-F352 VanDerWaalsContact C-N 3.31Å; I350-F352 PolarHBondContact O-N 3.21Å; F352-V354 VanDerWaalsContact C-N 3.31Å; F352-V354 HydrophobicContact CB-CG2 4.18Å; F352-V354 PolarHBondContact O-N 3.1Å
353	A	92.3	Very high	87.6	Confident	12 Å²	12	14.6 Å²	14.6	10%	0.099	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	38	178	0	0	0	0	0	114.8	A349 I350 C351 K405 V408	A349-A353 PolarHBondContact O-N 3.29Å; A349-A353 VanDerWaalsContact O-N 3.12Å; I350-A353 PolarHBondContact O-N 3.4Å; C351-A353 VanDerWaalsContact C-N 3.27Å; C351-A353 PolarHBondContact O-N 2.89Å; A353-K405 WeakPolarHBondContact O-CD 3.45Å; A353-K405 WeakPolarHBondContact O-CE 3.42Å; A353-K405 PolarHBondContact O-NZ 3.06Å; A353-V408 VanDerWaalsContact C-CG1 3.48Å; A353-V408 WeakPolarHBondContact O-CG1 3.42Å
354	V	94.1	Very high	87.5	Confident	1 Å²	1	14.7 Å²	14.7	1%	0.006	8%	0.078	C	C	.	.			trans	-101.3	123.6	180	-173.1	0	0	0	0	110.6	L329 T334 F337 A349 F352	L329-V354 HydrophobicContact CB-CG2 4.24Å; L329-V354 HydrophobicContact CD2-CB 4.27Å; L329-V354 HydrophobicContact CD2-CG1 4.24Å; L329-V354 HydrophobicContact CD2-CG2 4.07Å; L329-V354 WeakPolarHBondContact O-CG2 3.46Å; T334-V354 HydrophobicContact CG2-CG1 4.01Å; T334-V354 HydrophobicContact CG2-CG2 4.19Å; F337-V354 HydrophobicContact CB-CG1 3.9Å; A349-V354 PolarHBondContact O-N 3.32Å; F352-V354 VanDerWaalsContact C-N 3.31Å; F352-V354 HydrophobicContact CB-CG2 4.18Å; F352-V354 PolarHBondContact O-N 3.1Å
355	P	97.8	Very high	87.8	Confident	3 Å²	3	13.6 Å²	13.6	2%	0.019	7%	0.074	C	C	.	.			trans	-56.2	148.9	171.7	-27.7	36.1	0	0	0	113	V335 F337 L377 V398 K405 V408	V335-P355 WeakPolarHBondContact O-CD 3.28Å; F337-P355 PolarHBondContact N-O 3.22Å; P355-L377 WeakPolarHBondContact CA-O 3.39Å; P355-V398 HydrophobicContact CB-CG1 3.79Å; P355-K405 HydrophobicContact CG-CB 4.01Å; P355-K405 HydrophobicContact CG-CD 4.12Å; P355-V408 HydrophobicContact CG-CG1 4.19Å
356	M	96.6	Very high	87.9	Confident	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.4	-175.9	-74.9	179.7	-84.9	0	0	113.9	F337 T339 F346 A349 I350 T372 L377 G378 L379	F337-M356 WeakPolarHBondContact O-CA 3.32Å; T339-M356 HydrophobicContact CG2-CG 4.27Å; T339-M356 HydrophobicContact CG2-SD 4.26Å; F346-M356 HydrophobicContact CD2-CE 3.71Å; F346-M356 HydrophobicContact CD2-SD 3.99Å; F346-M356 HydrophobicContact CE2-CE 3.99Å; A349-M356 HydrophobicContact CB-CE 3.91Å; A349-M356 HydrophobicContact CB-CG 3.51Å; A349-M356 HydrophobicContact CB-SD 3.47Å; A349-M356 WeakPolarHBondContact CB-SD 3.37Å; I350-M356 HydrophobicContact CD1-CE 4.17Å; I350-M356 HydrophobicContact CG1-CE 3.78Å; M356-T372 HydrophobicContact CB-CG2 3.8Å; M356-T372 HydrophobicContact CE-CG2 4.21Å; M356-L377 HydrophobicContact CE-CB 4.26Å; M356-L377 HydrophobicContact CE-CD1 4.35Å; M356-L377 PolarHBondContact N-O 3.09Å; M356-G378 WeakPolarHBondContact O-CA 3.42Å; M356-L379 PolarHBondContact O-N 3.32Å; M356-L379 VanDerWaalsContact O-N 3.14Å
357	L	96.4	Very high	87.6	Confident	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	106.1	154.7	177.6	53.3	0	0	0	109.1	L336 F337 I338 T339 L379 L381 F391 T394 V395	L336-L357 HydrophobicContact CD1-CB 4.18Å; F337-L357 PolarHBondContact O-N 2.78Å; I338-L357 WeakPolarHBondContact CA-O 3.44Å; I338-L357 HydrophobicContact CG1-CB 4.22Å; I338-L357 HydrophobicContact CG2-CB 4.34Å; I338-L357 HydrophobicContact CG2-CD2 4.41Å; I338-L357 HydrophobicContact CG2-CG 4.35Å; T339-L357 PolarHBondContact N-O 3.2Å; L357-L379 HydrophobicContact CD1-CB 4.35Å; L357-L381 HydrophobicContact CD1-CD1 4Å; L357-L381 HydrophobicContact CD1-CG 4.13Å; L357-L381 HydrophobicContact CD2-CD1 4.23Å; L357-F391 HydrophobicContact CD2-CD2 4.07Å; L357-F391 HydrophobicContact CD2-CE2 3.7Å; L357-F391 HydrophobicContact CD2-CZ 4.44Å; L357-T394 HydrophobicContact CD1-CG2 3.52Å; L357-T394 HydrophobicContact CD2-CG2 4.43Å; L357-V395 HydrophobicContact CD2-CB 4.48Å; L357-V395 HydrophobicContact CD2-CG2 3.4Å; L357-V395 VanDerWaalsContact CD2-CG2 3.4Å
358	S	93.8	Very high	87.8	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	126.3	-178.8	-65.5	0	0	0	0	111.8	T339 S341 A369 T372 L379 S380 L381	T339-S358 CarbonylContact O-C 3.47Å; T339-S358 VanDerWaalsContact O-CA 3.26Å; T339-S358 WeakPolarHBondContact O-CA 3.37Å; S341-S358 WeakPolarHBondContact OG-CA 3.46Å; S341-S358 WeakPolarHBondContact OG-CB 3.4Å; S341-S358 PolarHBondContact OG-OG 3.43Å; S358-A369 VanDerWaalsContact CB-CB 3.46Å; S358-T372 PolarHBondContact OG-OG1 2.88Å; S358-L379 WeakPolarHBondContact CB-O 3.48Å; S358-L379 PolarHBondContact N-O 3.01Å; S358-S380 CarbonylContact O-C 3.48Å; S358-S380 WeakPolarHBondContact O-CA 3.22Å; S358-S380 PolarHBondContact O-OG 3.49Å; S358-L381 PolarHBondContact O-N 2.91Å
359	V	91.4	Very high	88.1	Confident	15 Å²	15	11.8 Å²	11.8	9%	0.091	6%	0.064	C	C	.	.			trans	-127.4	72.1	171.9	-170.7	0	0	0	0	109	I338 T339 H340 K383 F391	I338-V359 HydrophobicContact CG2-CG2 4.41Å; T339-V359 PolarHBondContact O-N 3.39Å; H340-V359 WeakPolarHBondContact CA-O 3.37Å; V359-K383 HydrophobicContact CG1-CB 4.05Å; V359-F391 HydrophobicContact CG2-CE2 4.36Å
360	P	88	Confident	87.9	Confident	9 Å²	9	11.8 Å²	11.8	6%	0.058	6%	0.064	C	C	.	.			trans	-67	134.9	-168.8	28.3	-36.4	0	0	0	112.8	H340 Q365 I366 A369 S380	H340-P360 WeakPolarHBondContact O-CA 3.5Å; P360-Q365 HydrophobicContact CB-CB 3.79Å; P360-I366 HydrophobicContact CB-CB 4.41Å; P360-I366 HydrophobicContact CB-CG1 3.78Å; P360-I366 HydrophobicContact CG-CG1 4.08Å; P360-A369 HydrophobicContact CB-CB 4.27Å; P360-A369 HydrophobicContact CG-CB 3.93Å; P360-S380 WeakPolarHBondContact CD-OG 3.15Å
361	L	81.6	Confident	87.8	Confident	24 Å²	24	11.8 Å²	11.8	13%	0.126	6%	0.064	C	C	.	.			trans	-94.1	-54.2	-177.5	-52.3	-179	0	0	0	111.1	I94 W95 H340 Q365 K383	I94-L361 HydrophobicContact CG2-CB 4.1Å; W95-L361 HydrophobicContact CE3-CD2 3.93Å; W95-L361 HydrophobicContact CH2-CD1 3.69Å; W95-L361 HydrophobicContact CH2-CD2 3.46Å; W95-L361 VanDerWaalsContact CH2-CD2 3.46Å; W95-L361 HydrophobicContact CH2-CG 4.23Å; W95-L361 HydrophobicContact CZ2-CD1 3.66Å; W95-L361 HydrophobicContact CZ2-CD2 4.11Å; W95-L361 HydrophobicContact CZ3-CD1 4.43Å; W95-L361 HydrophobicContact CZ3-CD2 3.36Å; H340-L361 HydrophobicContact CB-CD1 4.17Å; H340-L361 HydrophobicContact CB-CG 3.95Å; L361-Q365 VanDerWaalsContact CB-OE1 3.26Å; L361-K383 HydrophobicContact CD2-CD 3.68Å; L361-K383 PolarHBondContact O-NZ 3.5Å
362	F	76.9	Confident	88.2	Confident	48 Å²	48	9.5 Å²	9.5	21%	0.211	5%	0.049	C	C	.	.	S	Bend	trans	-162.4	171.4	-176.6	65.4	-74.6	0	0	0	112.1	M86 I94 F105 Q365	M86-F362 HydrophobicContact CE-CE2 4.3Å; M86-F362 HydrophobicContact CE-CZ 4.05Å; I94-F362 HydrophobicContact CD1-CB 4.3Å; I94-F362 HydrophobicContact CD1-CD1 4.03Å; I94-F362 HydrophobicContact CD1-CD2 4.06Å; I94-F362 HydrophobicContact CD1-CE1 4.41Å; I94-F362 HydrophobicContact CD1-CE2 4.44Å; I94-F362 HydrophobicContact CD1-CG 3.88Å; I94-F362 HydrophobicContact CG1-CB 4.06Å; I94-F362 HydrophobicContact CG1-CD1 4.42Å; I94-F362 HydrophobicContact CG1-CG 4.18Å; I94-F362 HydrophobicContact CG2-CB 3.94Å; I94-F362 HydrophobicContact CG2-CD1 3.52Å; I94-F362 HydrophobicContact CG2-CE1 4.35Å; I94-F362 HydrophobicContact CG2-CG 3.98Å; F105-F362 HydrophobicContact CE1-CD2 4.46Å; F105-F362 HydrophobicContact CE2-CD2 4.03Å; F105-F362 AromaticContact CZ-CD2 3.59Å; F105-F362 HydrophobicContact CZ-CD2 3.59Å; F105-F362 HydrophobicContact CZ-CE2 4.2Å; F362-Q365 WeakPolarHBondContact O-CB 3.29Å; F362-Q365 WeakPolarHBondContact O-CG 3.44Å; F362-Q365 PolarHBondContact O-NE2 3.25Å; F362-Q365 PolarHBondContact O-OE1 2.96Å
363	G	77.2	Confident	88.4	Confident	1 Å²	1	10 Å²	10	1%	0.01	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	-145.5	170.8	0	0	0	0	0	114.5	L100 Q365	L100-G363 VanDerWaalsContact CD1-CA 3.48Å; G363-Q365 PolarHBondContact O-N 3.06Å
364	D	78.1	Confident	88.2	Confident	13 Å²	13	12.1 Å²	12.1	7%	0.07	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-12.7	176.7	65	-63.3	0	0	0	113.7	T168 M190 M343 I366 R367 N368	T168-D364 PolarHBondContact OG1-OD1 3.04Å; T168-D364 PolarHBondContact OG1-OD2 3.26Å; M190-D364 HydrophobicContact CE-CB 4.22Å; M343-D364 PolarHBondContact N-OD2 2.92Å; D364-I366 VanDerWaalsContact C-N 3.26Å; D364-I366 PolarHBondContact O-N 3.25Å; D364-R367 WeakPolarHBondContact O-CB 3.37Å; D364-R367 PolarHBondContact O-N 2.94Å; D364-R367 VanDerWaalsContact O-N 3.12Å; D364-N368 PolarHBondContact O-N 3.03Å; D364-N368 PolarHBondContact O-ND2 3.48Å; D364-N368 PolarHBondContact O-OD1 2.83Å; D364-N368 PolarHBondContact OD2-ND2 2.81Å
365	Q	85.3	Confident	88	Confident	10 Å²	10	14.4 Å²	14.4	5%	0.047	7%	0.07	C	C	.	.	H	α-helix	trans	-55.4	-39.3	-178.2	-66.9	165.9	28.2	0	0	113.1	H340 P360 L361 F362 G363 N368 A369	H340-Q365 VanDerWaalsContact O-CB 3.27Å; H340-Q365 WeakPolarHBondContact O-CB 3.48Å; H340-Q365 WeakPolarHBondContact O-CG 3.31Å; P360-Q365 HydrophobicContact CB-CB 3.79Å; L361-Q365 VanDerWaalsContact CB-OE1 3.26Å; F362-Q365 WeakPolarHBondContact O-CB 3.29Å; F362-Q365 WeakPolarHBondContact O-CG 3.44Å; F362-Q365 PolarHBondContact O-NE2 3.25Å; F362-Q365 PolarHBondContact O-OE1 2.96Å; G363-Q365 PolarHBondContact O-N 3.06Å; Q365-N368 PolarHBondContact O-N 3.03Å; Q365-A369 VanDerWaalsContact O-CB 3.29Å; Q365-A369 WeakPolarHBondContact O-CB 3.14Å; Q365-A369 PolarHBondContact O-N 3.47Å
366	I	84.9	Confident	87.8	Confident	4 Å²	4	14.6 Å²	14.6	2%	0.021	7%	0.072	C	C	.	.	H	α-helix	trans	-67.5	-44.3	179.7	-59.7	172.8	0	0	0	110.2	G99 M190 P360 D364 N368 A369 A370	G99-I366 VanDerWaalsContact C-CD1 3.41Å; M190-I366 WeakPolarHBondContact O-CB 3.2Å; M190-I366 WeakPolarHBondContact O-CG2 3.47Å; P360-I366 HydrophobicContact CB-CB 4.41Å; P360-I366 HydrophobicContact CB-CG1 3.78Å; P360-I366 HydrophobicContact CG-CG1 4.08Å; D364-I366 VanDerWaalsContact C-N 3.26Å; D364-I366 PolarHBondContact O-N 3.25Å; I366-N368 PolarHBondContact O-N 3.43Å; I366-A369 PolarHBondContact O-N 3.28Å; I366-A370 PolarHBondContact O-N 2.91Å
367	R	83.8	Confident	87.8	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-58.6	-47.1	172.6	177.9	-170.5	155.8	-80.2	0.5	110.8	L188 E259 D364 A369 A370 L371	L188-R367 HydrophobicContact CD2-CG 3.81Å; E259-R367 IonicContact OE1-CZ 3.16Å; E259-R367 IonicContact OE1-NE 2.74Å; E259-R367 IonicContact OE1-NH2 3.21Å; E259-R367 PolarHBondContact OE1-NH2 3.16Å; E259-R367 IonicContact OE2-NH2 2.74Å; E259-R367 PolarHBondContact OE2-NH2 2.8Å; D364-R367 WeakPolarHBondContact O-CB 3.37Å; D364-R367 PolarHBondContact O-N 2.94Å; D364-R367 VanDerWaalsContact O-N 3.12Å; R367-A369 PolarHBondContact O-N 3.3Å; R367-A370 WeakPolarHBondContact O-CB 3.4Å; R367-A370 PolarHBondContact O-N 3.48Å; R367-L371 WeakPolarHBondContact O-CG 3.16Å; R367-L371 PolarHBondContact O-N 3.46Å
368	N	87.4	Confident	87.8	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65	-39.2	179.9	-56.4	-25.9	0	0	0	111.6	S341 M343 F346 D364 Q365 I366 A370 L371 T372	S341-N368 WeakPolarHBondContact O-CB 3.38Å; S341-N368 PolarHBondContact O-ND2 3.46Å; M343-N368 WeakPolarHBondContact CA-ND2 3.4Å; M343-N368 WeakPolarHBondContact CE-OD1 3.43Å; M343-N368 PolarHBondContact N-ND2 3.26Å; F346-N368 HydrophobicContact CB-CB 4.28Å; F346-N368 HydrophobicContact CD2-CB 4.23Å; F346-N368 WeakPolarHBondContact CE2-O 3.48Å; F346-N368 HydrophobicContact CG-CB 4.1Å; D364-N368 PolarHBondContact O-N 3.03Å; D364-N368 PolarHBondContact O-ND2 3.48Å; D364-N368 PolarHBondContact O-OD1 2.83Å; D364-N368 PolarHBondContact OD2-ND2 2.81Å; Q365-N368 PolarHBondContact O-N 3.03Å; I366-N368 PolarHBondContact O-N 3.43Å; N368-A370 VanDerWaalsContact C-N 3.31Å; N368-A370 PolarHBondContact O-N 3.22Å; N368-L371 WeakPolarHBondContact O-CA 3.45Å; N368-L371 WeakPolarHBondContact O-CB 3.36Å; N368-L371 PolarHBondContact O-N 2.79Å; N368-L371 VanDerWaalsContact O-N 3.13Å; N368-T372 PolarHBondContact O-N 3.06Å; N368-T372 PolarHBondContact O-OG1 2.96Å
369	A	90.8	Very high	87.9	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.8	-34.8	173	0	0	0	0	0	113	S358 P360 Q365 I366 R367 T372 K373 S380	S358-A369 VanDerWaalsContact CB-CB 3.46Å; P360-A369 HydrophobicContact CB-CB 4.27Å; P360-A369 HydrophobicContact CG-CB 3.93Å; Q365-A369 VanDerWaalsContact O-CB 3.29Å; Q365-A369 WeakPolarHBondContact O-CB 3.14Å; Q365-A369 PolarHBondContact O-N 3.47Å; I366-A369 PolarHBondContact O-N 3.28Å; R367-A369 PolarHBondContact O-N 3.3Å; A369-T372 WeakPolarHBondContact O-CB 3.4Å; A369-T372 PolarHBondContact O-N 3Å; A369-K373 PolarHBondContact O-N 2.83Å; A369-S380 WeakPolarHBondContact CB-OG 3.2Å
370	A	87.8	Confident	88	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-68.5	-36.1	170.9	0	0	0	0	0	112.1	L188 A192 I366 R367 N368 K373 M374	L188-A370 HydrophobicContact CD2-CB 3.91Å; A192-A370 VanDerWaalsContact O-CB 3.3Å; A192-A370 WeakPolarHBondContact O-CB 3.45Å; I366-A370 PolarHBondContact O-N 2.91Å; R367-A370 WeakPolarHBondContact O-CB 3.4Å; R367-A370 PolarHBondContact O-N 3.48Å; N368-A370 VanDerWaalsContact C-N 3.31Å; N368-A370 PolarHBondContact O-N 3.22Å; A370-K373 PolarHBondContact O-N 3.03Å; A370-M374 VanDerWaalsContact O-CB 3.26Å; A370-M374 WeakPolarHBondContact O-CB 3.38Å; A370-M374 PolarHBondContact O-N 2.83Å
371	L	88	Confident	88.2	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.8	-44.8	169.9	-62	177.4	0	0	0	111.3	L188 L254 F346 R367 N368 K373 M374 H375	L188-L371 HydrophobicContact CD1-CD2 3.79Å; L254-L371 HydrophobicContact CD2-CD1 4.12Å; F346-L371 HydrophobicContact CE1-CD1 4.21Å; F346-L371 HydrophobicContact CE2-CB 3.93Å; F346-L371 HydrophobicContact CZ-CB 3.66Å; F346-L371 HydrophobicContact CZ-CD1 4.05Å; R367-L371 WeakPolarHBondContact O-CG 3.16Å; R367-L371 PolarHBondContact O-N 3.46Å; N368-L371 WeakPolarHBondContact O-CA 3.45Å; N368-L371 WeakPolarHBondContact O-CB 3.36Å; N368-L371 PolarHBondContact O-N 2.79Å; N368-L371 VanDerWaalsContact O-N 3.13Å; L371-K373 VanDerWaalsContact C-N 3.31Å; L371-K373 PolarHBondContact O-N 3.45Å; L371-M374 HydrophobicContact CD2-CE 3.5Å; L371-M374 PolarHBondContact O-N 3.1Å; L371-H375 PolarHBondContact O-CD2 3.1Å; L371-H375 VanDerWaalsContact O-CD2 3.31Å; L371-H375 PolarHBondContact O-N 3.27Å
372	T	92.1	Very high	88.4	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-51	-49.7	174.2	-62.3	0	0	0	0	111.3	F346 M356 S358 N368 A369 G376 L377	F346-T372 WeakPolarHBondContact CD2-OG1 3.42Å; F346-T372 WeakPolarHBondContact CE2-OG1 3.31Å; M356-T372 HydrophobicContact CB-CG2 3.8Å; M356-T372 HydrophobicContact CE-CG2 4.21Å; S358-T372 PolarHBondContact OG-OG1 2.88Å; N368-T372 PolarHBondContact O-N 3.06Å; N368-T372 PolarHBondContact O-OG1 2.96Å; A369-T372 WeakPolarHBondContact O-CB 3.4Å; A369-T372 PolarHBondContact O-N 3Å; T372-G376 PolarHBondContact O-N 3.42Å; T372-L377 HydrophobicContact CG2-CB 4.24Å; T372-L377 PolarHBondContact O-N 3.3Å
373	K	91.8	Very high	88.8	Confident	69 Å²	69	16.2 Å²	16.2	30%	0.3	8%	0.082	S	C	.	.	H	α-helix	trans	-70.1	-42.7	179.1	-76.9	171.3	63.1	-176.3	0	113.1	D193 A369 A370 L371 G376	D193-K373 WeakPolarHBondContact O-CD 3.49Å; D193-K373 WeakPolarHBondContact O-CE 3.42Å; D193-K373 PolarHBondContact O-NZ 2.85Å; A369-K373 PolarHBondContact O-N 2.83Å; A370-K373 PolarHBondContact O-N 3.03Å; L371-K373 VanDerWaalsContact C-N 3.31Å; L371-K373 PolarHBondContact O-N 3.45Å; K373-G376 PolarHBondContact O-N 3.05Å; K373-G376 VanDerWaalsContact O-N 3.11Å
374	M	87.9	Confident	89	Confident	57 Å²	57	19.2 Å²	19.2	28%	0.281	10%	0.1	S	C	.	.	H	α-helix	trans	-63	-44.3	-177.5	179.7	174.9	65.1	0	0	112.1	L188 Y195 A370 L371 G376	L188-M374 HydrophobicContact CD1-CE 3.67Å; L188-M374 HydrophobicContact CD1-SD 3.91Å; Y195-M374 HydrophobicContact CD1-SD 4.44Å; A370-M374 VanDerWaalsContact O-CB 3.26Å; A370-M374 WeakPolarHBondContact O-CB 3.38Å; A370-M374 PolarHBondContact O-N 2.83Å; L371-M374 HydrophobicContact CD2-CE 3.5Å; L371-M374 PolarHBondContact O-N 3.1Å; M374-G376 PolarHBondContact O-N 3.26Å
375	H	90.5	Very high	89.4	Confident	50 Å²	50	25.8 Å²	25.8	23%	0.231	13%	0.128	C	C	.	.	H	α-helix	trans	-76.7	-12.3	175.5	-68.5	-61.3	0	0	0	112.7	L258 L371 L377 R407	L258-H375 PolarHBondContact O-NE2 3.08Å; L371-H375 PolarHBondContact O-CD2 3.1Å; L371-H375 VanDerWaalsContact O-CD2 3.31Å; L371-H375 PolarHBondContact O-N 3.27Å; H375-L377 HydrophobicContact CB-CD1 3.76Å; H375-L377 HydrophobicContact CB-CD2 4.04Å; H375-L377 HydrophobicContact CB-CG 3.62Å; H375-R407 PolarHBondContact O-NH1 2.58Å
376	G	94.1	Very high	89.4	Confident	7 Å²	7	27.1 Å²	27.1	7%	0.072	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	43.4	-177.2	0	0	0	0	0	112.6	T372 K373 M374 Y404 R407	T372-G376 PolarHBondContact O-N 3.42Å; K373-G376 PolarHBondContact O-N 3.05Å; K373-G376 VanDerWaalsContact O-N 3.11Å; M374-G376 PolarHBondContact O-N 3.26Å; G376-Y404 WeakPolarHBondContact O-CD1 3.36Å; G376-R407 WeakPolarHBondContact O-CB 3.19Å; G376-R407 WeakPolarHBondContact O-CD 3.37Å
377	L	95.3	Very high	89.5	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.01	15%	0.152	C	C	.	.	S	Bend	trans	-94.3	-3.2	178.2	-47.2	173	0	0	0	111.8	I350 P355 M356 T372 H375 R407 V408 L411	I350-L377 HydrophobicContact CD1-CD1 3.58Å; I350-L377 HydrophobicContact CG1-CD1 3.94Å; P355-L377 WeakPolarHBondContact CA-O 3.39Å; M356-L377 HydrophobicContact CE-CB 4.26Å; M356-L377 HydrophobicContact CE-CD1 4.35Å; M356-L377 PolarHBondContact N-O 3.09Å; T372-L377 HydrophobicContact CG2-CB 4.24Å; T372-L377 PolarHBondContact O-N 3.3Å; H375-L377 HydrophobicContact CB-CD1 3.76Å; H375-L377 HydrophobicContact CB-CD2 4.04Å; H375-L377 HydrophobicContact CB-CG 3.62Å; L377-R407 HydrophobicContact CD2-CB 4.34Å; L377-V408 HydrophobicContact CB-CB 4.47Å; L377-V408 HydrophobicContact CD2-CB 3.92Å; L377-V408 HydrophobicContact CD2-CG2 4.19Å; L377-L411 HydrophobicContact CD1-CD2 3.65Å; L377-L411 HydrophobicContact CD2-CB 4.41Å; L377-L411 HydrophobicContact CD2-CD2 3.69Å; L377-L411 HydrophobicContact CG-CD2 4.28Å
378	G	96.4	Very high	89.6	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.5	-159.5	-175.5	0	0	0	0	0	112.5	M356 Y404	M356-G378 WeakPolarHBondContact O-CA 3.42Å; G378-Y404 VanDerWaalsContact N-CD1 3.32Å
379	L	96	Very high	89.7	Confident	34 Å²	34	38 Å²	38	18%	0.178	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	167.8	-179.1	-68.5	176.1	0	0	0	111.5	M356 L357 S358 T394 K397 V398 Y404	M356-L379 PolarHBondContact O-N 3.32Å; M356-L379 VanDerWaalsContact O-N 3.14Å; L357-L379 HydrophobicContact CD1-CB 4.35Å; S358-L379 WeakPolarHBondContact CB-O 3.48Å; S358-L379 PolarHBondContact N-O 3.01Å; L379-T394 HydrophobicContact CB-CG2 3.81Å; L379-T394 HydrophobicContact CD1-CG2 3.78Å; L379-T394 HydrophobicContact CG-CG2 4.45Å; L379-K397 HydrophobicContact CD1-CB 4.44Å; L379-K397 HydrophobicContact CD1-CD 3.78Å; L379-K397 HydrophobicContact CD1-CG 4.02Å; L379-V398 HydrophobicContact CB-CG2 3.89Å; L379-V398 HydrophobicContact CD1-CG2 3.83Å; L379-V398 HydrophobicContact CG-CG2 3.84Å; L379-Y404 WeakPolarHBondContact CD2-OH 3.34Å; L379-Y404 HydrophobicContact CG-CE1 4.47Å
380	S	93.9	Very high	89.7	Confident	17 Å²	17	39.5 Å²	39.5	12%	0.119	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.2	174.7	-171.2	0	0	0	0	110.4	S358 P360 A369	S358-S380 CarbonylContact O-C 3.48Å; S358-S380 WeakPolarHBondContact O-CA 3.22Å; S358-S380 PolarHBondContact O-OG 3.49Å; P360-S380 WeakPolarHBondContact CD-OG 3.15Å; A369-S380 WeakPolarHBondContact CB-OG 3.2Å
381	L	91.3	Very high	89.9	Confident	26 Å²	26	39.5 Å²	39.5	14%	0.136	20%	0.203	C	C	.	.			trans	-111.7	149.3	175.7	-73.1	169.1	0	0	0	111.7	L357 S358 L386 F391 T394	L357-L381 HydrophobicContact CD1-CD1 4Å; L357-L381 HydrophobicContact CD1-CG 4.13Å; L357-L381 HydrophobicContact CD2-CD1 4.23Å; S358-L381 PolarHBondContact O-N 2.91Å; L381-L386 HydrophobicContact CB-CD1 3.96Å; L381-L386 HydrophobicContact CD1-CD1 3.79Å; L381-L386 HydrophobicContact CG-CD1 4.41Å; L381-F391 HydrophobicContact CD1-CB 4.4Å; L381-F391 HydrophobicContact CD1-CD2 3.66Å; L381-F391 HydrophobicContact CD1-CG 4.48Å; L381-T394 HydrophobicContact CD1-CG2 4.1Å; L381-T394 HydrophobicContact CD2-CG2 4.32Å; L381-T394 HydrophobicContact CG-CG2 4.1Å
382	D	86.9	Confident	90.1	Very high	23 Å²	23	43.8 Å²	43.8	12%	0.123	22%	0.22	C	C	.	.			trans	-88.6	109.6	174.9	-176	3.4	0	0	0	109.2	K98 T384 K385 L386	K98-D382 WeakPolarHBondContact CD-OD1 3.43Å; K98-D382 WeakPolarHBondContact CD-OD2 3.35Å; K98-D382 VanDerWaalsContact CE-OD2 3.32Å; K98-D382 WeakPolarHBondContact CE-OD2 3.49Å; K98-D382 VanDerWaalsContact NZ-CG 3.27Å; K98-D382 IonicContact NZ-OD1 3.51Å; K98-D382 IonicContact NZ-OD2 3.56Å; K98-D382 PolarHBondContact NZ-OD2 2.72Å; D382-T384 PolarHBondContact O-N 3.39Å; D382-T384 VanDerWaalsContact O-N 3.11Å; D382-T384 PolarHBondContact OD1-N 2.88Å; D382-T384 PolarHBondContact OD1-OG1 3.41Å; D382-K385 HydrophobicContact CB-CB 4.35Å; D382-K385 HydrophobicContact CB-CG 4.44Å; D382-K385 CarbonylContact O-C 3.54Å; D382-K385 PolarHBondContact O-N 3.26Å; D382-K385 WeakPolarHBondContact OD2-CD 3.09Å; D382-K385 WeakPolarHBondContact OD2-CE 3.16Å; D382-L386 PolarHBondContact O-N 3.3Å
383	K	84.5	Confident	90.3	Very high	27 Å²	27	50 Å²	50	12%	0.117	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-59	-26.2	-175.8	72.7	179.9	-171.9	-72.4	0	113.7	I94 W95 T97 V359 L361 K385	I94-K383 WeakPolarHBondContact O-CE 3.46Å; I94-K383 PolarHBondContact O-NZ 3.02Å; I94-K383 VanDerWaalsContact O-NZ 3.13Å; W95-K383 HydrophobicContact CE3-CD 4.37Å; W95-K383 WeakPolarHBondContact O-CE 3.4Å; T97-K383 PolarHBondContact O-NZ 3.37Å; V359-K383 HydrophobicContact CG1-CB 4.05Å; L361-K383 HydrophobicContact CD2-CD 3.68Å; L361-K383 PolarHBondContact O-NZ 3.5Å; K383-K385 PolarHBondContact O-N 3.29Å
384	T	82.1	Confident	90.4	Very high	64 Å²	64	47.8 Å²	47.8	39%	0.393	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-80.8	-1.6	178.6	70.5	0	0	0	0	113.3	K98 D382	K98-T384 HydrophobicContact CB-CG2 4.22Å; D382-T384 PolarHBondContact O-N 3.39Å; D382-T384 VanDerWaalsContact O-N 3.11Å; D382-T384 PolarHBondContact OD1-N 2.88Å; D382-T384 PolarHBondContact OD1-OG1 3.41Å
385	K	85.5	Confident	90.8	Very high	151 Å²	151	45.2 Å²	45.2	66%	0.657	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-128.9	16.4	178	-55.3	-173.7	-176.4	-171.2	0	112.3	D382 K383	D382-K385 HydrophobicContact CB-CB 4.35Å; D382-K385 HydrophobicContact CB-CG 4.44Å; D382-K385 CarbonylContact O-C 3.54Å; D382-K385 PolarHBondContact O-N 3.26Å; D382-K385 WeakPolarHBondContact OD2-CD 3.09Å; D382-K385 WeakPolarHBondContact OD2-CE 3.16Å; K383-K385 PolarHBondContact O-N 3.29Å
386	L	85.7	Confident	91.1	Very high	37 Å²	37	44.6 Å²	44.6	19%	0.194	23%	0.228	C	C	.	.			trans	-72.5	127.9	-175.8	-158.7	78.1	0	0	0	110.4	T287 I288 L381 D382 F391	T287-L386 HydrophobicContact CG2-CD2 4.1Å; T287-L386 HydrophobicContact CG2-CG 4.24Å; I288-L386 HydrophobicContact CD1-CD2 4.39Å; I288-L386 HydrophobicContact CG1-CD2 4.07Å; L381-L386 HydrophobicContact CB-CD1 3.96Å; L381-L386 HydrophobicContact CD1-CD1 3.79Å; L381-L386 HydrophobicContact CG-CD1 4.41Å; D382-L386 PolarHBondContact O-N 3.3Å; L386-F391 HydrophobicContact CD1-CB 4.16Å; L386-F391 HydrophobicContact CD1-CD2 4.01Å; L386-F391 HydrophobicContact CD1-CG 4.45Å; L386-F391 HydrophobicContact CG-CB 4.36Å
387	T	87.9	Confident	91.2	Very high	59 Å²	59	49.7 Å²	49.7	36%	0.362	25%	0.248	S	C	.	.			trans	-124.1	167.1	169.8	81.6	0	0	0	0	109.5	T287 E389 S390 F391	T287-T387 VanDerWaalsContact CG2-C 3.49Å; T387-E389 VanDerWaalsContact C-N 3.28Å; T387-E389 WeakPolarHBondContact CB-OE2 3.46Å; T387-E389 PolarHBondContact O-N 2.93Å; T387-E389 PolarHBondContact OG1-N 2.93Å; T387-E389 PolarHBondContact OG1-OE2 3.06Å; T387-S390 PolarHBondContact N-OG 3.28Å; T387-S390 PolarHBondContact O-OG 2.71Å; T387-S390 PolarHBondContact OG1-N 3.29Å; T387-S390 VanDerWaalsContact OG1-N 3.12Å; T387-S390 PolarHBondContact OG1-OG 2.92Å; T387-F391 VanDerWaalsContact O-CB 3.28Å; T387-F391 WeakPolarHBondContact O-CB 3.3Å; T387-F391 PolarHBondContact O-N 3.14Å
388	N	84.9	Confident	91.3	Very high	60 Å²	60	49.8 Å²	49.8	32%	0.321	25%	0.249	S	C	.	.	H	α-helix	trans	-60.7	-43.7	177.2	-67.9	-0.9	0	0	0	110.4	T287 S290 T291 F391 Y392	T287-N388 VanDerWaalsContact CA-OD1 3.22Å; T287-N388 WeakPolarHBondContact CA-OD1 3.3Å; T287-N388 VanDerWaalsContact CG2-OD1 3.24Å; T287-N388 WeakPolarHBondContact CG2-OD1 3.34Å; T287-N388 PolarHBondContact O-OD1 3.35Å; S290-N388 VanDerWaalsContact OG-CG 3.3Å; S290-N388 PolarHBondContact OG-ND2 3.39Å; S290-N388 VanDerWaalsContact OG-ND2 3.17Å; S290-N388 PolarHBondContact OG-OD1 3.03Å; T291-N388 PolarHBondContact OG1-O 3.08Å; N388-F391 PolarHBondContact O-N 3.45Å; N388-Y392 VanDerWaalsContact O-CB 3.23Å; N388-Y392 WeakPolarHBondContact O-CB 3.37Å; N388-Y392 PolarHBondContact O-N 3.06Å
389	E	89.1	Confident	91.3	Very high	113 Å²	113	50.8 Å²	50.8	53%	0.528	25%	0.254	S	S	.	.	H	α-helix	trans	-66.4	-52.9	-175.7	-51.1	69	-146.3	0	0	109.8	T387 F391 Y392 E393	T387-E389 VanDerWaalsContact C-N 3.28Å; T387-E389 WeakPolarHBondContact CB-OE2 3.46Å; T387-E389 PolarHBondContact O-N 2.93Å; T387-E389 PolarHBondContact OG1-N 2.93Å; T387-E389 PolarHBondContact OG1-OE2 3.06Å; E389-F391 VanDerWaalsContact C-N 3.3Å; E389-F391 PolarHBondContact O-N 3.29Å; E389-Y392 PolarHBondContact O-N 2.97Å; E389-E393 WeakPolarHBondContact O-CB 3.43Å; E389-E393 VanDerWaalsContact O-CG 3.31Å; E389-E393 WeakPolarHBondContact O-CG 3.47Å; E389-E393 PolarHBondContact O-N 2.9Å
390	S	91	Very high	91.3	Very high	32 Å²	32	54.9 Å²	54.9	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-34	179.5	56	0	0	0	0	113.1	T387 T394	T387-S390 PolarHBondContact N-OG 3.28Å; T387-S390 PolarHBondContact O-OG 2.71Å; T387-S390 PolarHBondContact OG1-N 3.29Å; T387-S390 VanDerWaalsContact OG1-N 3.12Å; T387-S390 PolarHBondContact OG1-OG 2.92Å; S390-T394 VanDerWaalsContact O-CB 3.3Å; S390-T394 WeakPolarHBondContact O-CB 3.47Å; S390-T394 PolarHBondContact O-N 3.24Å; S390-T394 PolarHBondContact O-OG1 3.2Å
391	F	92.3	Very high	91.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-71.4	-47.5	173.5	-173.1	-112.5	0	0	0	111.4	I288 T291 F292 I338 L357 V359 L381 L386 T387 N388 E389 T394 V395	I288-F391 HydrophobicContact CB-CE1 4.03Å; I288-F391 HydrophobicContact CB-CZ 4.32Å; I288-F391 HydrophobicContact CG1-CD1 4.32Å; I288-F391 HydrophobicContact CG1-CE1 3.96Å; I288-F391 HydrophobicContact CG1-CE2 4.31Å; I288-F391 HydrophobicContact CG1-CZ 3.94Å; I288-F391 HydrophobicContact CG2-CE1 3.78Å; I288-F391 HydrophobicContact CG2-CZ 3.88Å; T291-F391 HydrophobicContact CG2-CD1 3.54Å; T291-F391 HydrophobicContact CG2-CE1 4Å; F292-F391 AromaticContact CE1-CE1 3.92Å; F292-F391 HydrophobicContact CE1-CE1 3.92Å; F292-F391 HydrophobicContact CE1-CZ 4.24Å; F292-F391 HydrophobicContact CZ-CE1 4.49Å; I338-F391 HydrophobicContact CD1-CZ 3.8Å; I338-F391 HydrophobicContact CG2-CE2 4.11Å; I338-F391 HydrophobicContact CG2-CZ 4.08Å; L357-F391 HydrophobicContact CD2-CD2 4.07Å; L357-F391 HydrophobicContact CD2-CE2 3.7Å; L357-F391 HydrophobicContact CD2-CZ 4.44Å; V359-F391 HydrophobicContact CG2-CE2 4.36Å; L381-F391 HydrophobicContact CD1-CB 4.4Å; L381-F391 HydrophobicContact CD1-CD2 3.66Å; L381-F391 HydrophobicContact CD1-CG 4.48Å; L386-F391 HydrophobicContact CD1-CB 4.16Å; L386-F391 HydrophobicContact CD1-CD2 4.01Å; L386-F391 HydrophobicContact CD1-CG 4.45Å; L386-F391 HydrophobicContact CG-CB 4.36Å; T387-F391 VanDerWaalsContact O-CB 3.28Å; T387-F391 WeakPolarHBondContact O-CB 3.3Å; T387-F391 PolarHBondContact O-N 3.14Å; N388-F391 PolarHBondContact O-N 3.45Å; E389-F391 VanDerWaalsContact C-N 3.3Å; E389-F391 PolarHBondContact O-N 3.29Å; F391-T394 PolarHBondContact O-N 2.81Å; F391-V395 HydrophobicContact CD1-CG2 4.47Å; F391-V395 HydrophobicContact CE1-CG2 4.2Å; F391-V395 HydrophobicContact CE2-CG2 4.33Å; F391-V395 HydrophobicContact CZ-CG2 4.14Å; F391-V395 VanDerWaalsContact O-CG2 3.31Å; F391-V395 WeakPolarHBondContact O-CG2 3.39Å; F391-V395 PolarHBondContact O-N 2.73Å
392	Y	93.3	Very high	91.7	Very high	91 Å²	91	60.5 Å²	60.5	36%	0.357	30%	0.297	S	S	.	.	H	α-helix	trans	-57.8	-54.3	176.4	177.9	-100.4	0	0	0	112.4	T291 H294 L295 N388 E389 T394 V395 V396	T291-Y392 HydrophobicContact CG2-CD2 4.01Å; T291-Y392 HydrophobicContact CG2-CG 4.38Å; H294-Y392 HydrophobicContact CB-CD2 4.11Å; H294-Y392 HydrophobicContact CB-CE2 3.84Å; L295-Y392 HydrophobicContact CD2-CD2 4.41Å; L295-Y392 HydrophobicContact CD2-CE2 3.81Å; L295-Y392 HydrophobicContact CG-CD2 4.42Å; L295-Y392 HydrophobicContact CG-CE2 4.14Å; N388-Y392 VanDerWaalsContact O-CB 3.23Å; N388-Y392 WeakPolarHBondContact O-CB 3.37Å; N388-Y392 PolarHBondContact O-N 3.06Å; E389-Y392 PolarHBondContact O-N 2.97Å; Y392-T394 PolarHBondContact O-N 2.95Å; Y392-V395 PolarHBondContact O-N 3.39Å; Y392-V396 HydrophobicContact CD1-CG2 4.19Å; Y392-V396 HydrophobicContact CD2-CG2 4.21Å; Y392-V396 HydrophobicContact CE1-CG2 3.82Å; Y392-V396 HydrophobicContact CE2-CG2 3.84Å; Y392-V396 HydrophobicContact CG-CG2 4.38Å; Y392-V396 WeakPolarHBondContact O-CB 3.24Å; Y392-V396 WeakPolarHBondContact O-CG2 3.15Å; Y392-V396 PolarHBondContact O-N 2.76Å
393	E	95.1	Very high	92.2	Very high	130 Å²	130	62.1 Å²	62.1	61%	0.607	31%	0.308	S	S	*	.	H	α-helix	trans	-56.1	-40.3	179.3	-73.7	177.2	178.5	0	0	111.7	E389 K397	E389-E393 WeakPolarHBondContact O-CB 3.43Å; E389-E393 VanDerWaalsContact O-CG 3.31Å; E389-E393 WeakPolarHBondContact O-CG 3.47Å; E389-E393 PolarHBondContact O-N 2.9Å; E393-K397 WeakPolarHBondContact O-CB 3.4Å; E393-K397 PolarHBondContact O-N 3.44Å
394	T	95.1	Very high	92.9	Very high	22 Å²	22	62 Å²	62	14%	0.135	31%	0.307	C	S	.	.	H	α-helix	trans	-72.9	-40.5	179.7	-55.2	0	0	0	0	112	L357 L379 L381 S390 F391 Y392 K397 V398	L357-T394 HydrophobicContact CD1-CG2 3.52Å; L357-T394 HydrophobicContact CD2-CG2 4.43Å; L379-T394 HydrophobicContact CB-CG2 3.81Å; L379-T394 HydrophobicContact CD1-CG2 3.78Å; L379-T394 HydrophobicContact CG-CG2 4.45Å; L381-T394 HydrophobicContact CD1-CG2 4.1Å; L381-T394 HydrophobicContact CD2-CG2 4.32Å; L381-T394 HydrophobicContact CG-CG2 4.1Å; S390-T394 VanDerWaalsContact O-CB 3.3Å; S390-T394 WeakPolarHBondContact O-CB 3.47Å; S390-T394 PolarHBondContact O-N 3.24Å; S390-T394 PolarHBondContact O-OG1 3.2Å; F391-T394 PolarHBondContact O-N 2.81Å; Y392-T394 PolarHBondContact O-N 2.95Å; T394-K397 PolarHBondContact O-N 2.89Å; T394-V398 WeakPolarHBondContact O-CG2 3.26Å; T394-V398 PolarHBondContact O-N 2.66Å
395	V	95.5	Very high	93.6	Very high	3 Å²	3	62.3 Å²	62.3	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-59.1	-51.2	172.6	167.5	0	0	0	0	110.2	L295 L336 I338 L357 F391 Y392 K397 V398 L399	L295-V395 HydrophobicContact CD1-CG1 3.64Å; L336-V395 HydrophobicContact CD2-CG1 3.91Å; I338-V395 HydrophobicContact CD1-CG2 3.96Å; L357-V395 HydrophobicContact CD2-CB 4.48Å; L357-V395 HydrophobicContact CD2-CG2 3.4Å; L357-V395 VanDerWaalsContact CD2-CG2 3.4Å; F391-V395 HydrophobicContact CD1-CG2 4.47Å; F391-V395 HydrophobicContact CE1-CG2 4.2Å; F391-V395 HydrophobicContact CE2-CG2 4.33Å; F391-V395 HydrophobicContact CZ-CG2 4.14Å; F391-V395 VanDerWaalsContact O-CG2 3.31Å; F391-V395 WeakPolarHBondContact O-CG2 3.39Å; F391-V395 PolarHBondContact O-N 2.73Å; Y392-V395 PolarHBondContact O-N 3.39Å; V395-K397 VanDerWaalsContact C-N 3.31Å; V395-K397 PolarHBondContact O-N 2.89Å; V395-V398 PolarHBondContact O-N 3.11Å; V395-L399 HydrophobicContact CG1-CD1 3.67Å; V395-L399 WeakPolarHBondContact O-CD1 3.28Å; V395-L399 VanDerWaalsContact O-CG 3.3Å; V395-L399 WeakPolarHBondContact O-CG 3.38Å; V395-L399 PolarHBondContact O-N 3.3Å; V395-L399 VanDerWaalsContact O-N 3.07Å
396	V	96.1	Very high	94.1	Very high	37 Å²	37	61.2 Å²	61.2	22%	0.224	30%	0.3	C	S	.	.	H	α-helix	trans	-56.8	-45	176.7	168.4	0	0	0	0	110.7	L295 Y392 L399 H400	L295-V396 HydrophobicContact CD2-CG2 4.32Å; Y392-V396 HydrophobicContact CD1-CG2 4.19Å; Y392-V396 HydrophobicContact CD2-CG2 4.21Å; Y392-V396 HydrophobicContact CE1-CG2 3.82Å; Y392-V396 HydrophobicContact CE2-CG2 3.84Å; Y392-V396 HydrophobicContact CG-CG2 4.38Å; Y392-V396 WeakPolarHBondContact O-CB 3.24Å; Y392-V396 WeakPolarHBondContact O-CG2 3.15Å; Y392-V396 PolarHBondContact O-N 2.76Å; V396-L399 PolarHBondContact O-N 3.03Å; V396-H400 PolarHBondContact O-N 3.18Å; V396-H400 PolarHBondContact O-ND1 3.37Å
397	K	97	Very high	94.7	Very high	114 Å²	114	65.9 Å²	65.9	50%	0.496	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-46	179.2	-179.2	168.2	178.7	170.8	0	113.1	L379 E393 T394 V395 L399 D401	L379-K397 HydrophobicContact CD1-CB 4.44Å; L379-K397 HydrophobicContact CD1-CD 3.78Å; L379-K397 HydrophobicContact CD1-CG 4.02Å; E393-K397 WeakPolarHBondContact O-CB 3.4Å; E393-K397 PolarHBondContact O-N 3.44Å; T394-K397 PolarHBondContact O-N 2.89Å; V395-K397 VanDerWaalsContact C-N 3.31Å; V395-K397 PolarHBondContact O-N 2.89Å; K397-L399 VanDerWaalsContact C-N 3.31Å; K397-L399 PolarHBondContact O-N 3.38Å; K397-D401 WeakPolarHBondContact O-CB 3.13Å; K397-D401 PolarHBondContact O-N 3.05Å; K397-D401 VanDerWaalsContact O-N 3.09Å
398	V	97.3	Very high	95	Very high	5 Å²	5	63 Å²	63	3%	0.03	30%	0.298	C	S	.	.	H	α-helix	trans	-68.6	-31.8	179	-176.6	0	0	0	0	111.7	L336 P355 L379 T394 V395 Y404	L336-V398 HydrophobicContact CD1-CB 4.14Å; L336-V398 HydrophobicContact CD1-CG1 3.62Å; P355-V398 HydrophobicContact CB-CG1 3.79Å; L379-V398 HydrophobicContact CB-CG2 3.89Å; L379-V398 HydrophobicContact CD1-CG2 3.83Å; L379-V398 HydrophobicContact CG-CG2 3.84Å; T394-V398 WeakPolarHBondContact O-CG2 3.26Å; T394-V398 PolarHBondContact O-N 2.66Å; V395-V398 PolarHBondContact O-N 3.11Å; V398-Y404 HydrophobicContact CB-CD2 4.3Å; V398-Y404 HydrophobicContact CB-CE2 4.49Å; V398-Y404 HydrophobicContact CG1-CD2 4.03Å; V398-Y404 HydrophobicContact CG1-CG 4.37Å; V398-Y404 HydrophobicContact CG2-CD2 4.44Å; V398-Y404 HydrophobicContact CG2-CE2 4.26Å
399	L	96.3	Very high	95.4	Very high	22 Å²	22	63.2 Å²	63.2	12%	0.115	30%	0.302	C	S	.	.	H	α-helix	trans	-70.5	-38.5	177.2	-72.7	165.6	0	0	0	113.5	Y298 V335 L336 V395 V396 K397 Q402	Y298-L399 HydrophobicContact CD2-CD1 4.3Å; Y298-L399 HydrophobicContact CE1-CD1 4.47Å; Y298-L399 HydrophobicContact CE1-CD2 4.12Å; Y298-L399 HydrophobicContact CE2-CD1 3.76Å; V335-L399 HydrophobicContact CB-CD2 4.24Å; V335-L399 HydrophobicContact CG2-CD2 3.57Å; L336-L399 HydrophobicContact CB-CD2 3.72Å; L336-L399 HydrophobicContact CB-CG 4.44Å; L336-L399 HydrophobicContact CD2-CD1 4.41Å; L336-L399 HydrophobicContact CD2-CD2 4.21Å; L336-L399 HydrophobicContact CD2-CG 4.07Å; V395-L399 HydrophobicContact CG1-CD1 3.67Å; V395-L399 WeakPolarHBondContact O-CD1 3.28Å; V395-L399 VanDerWaalsContact O-CG 3.3Å; V395-L399 WeakPolarHBondContact O-CG 3.38Å; V395-L399 PolarHBondContact O-N 3.3Å; V395-L399 VanDerWaalsContact O-N 3.07Å; V396-L399 PolarHBondContact O-N 3.03Å; K397-L399 VanDerWaalsContact C-N 3.31Å; K397-L399 PolarHBondContact O-N 3.38Å; L399-Q402 PolarHBondContact O-NE2 3.25Å
400	H	96.2	Very high	95.7	Very high	119 Å²	119	64.8 Å²	64.8	55%	0.551	31%	0.307	S	S	*	.	H	α-helix	trans	-86.7	-37.1	-175.9	-68.9	84	0	0	0	113.2	V396 Q402	V396-H400 PolarHBondContact O-N 3.18Å; V396-H400 PolarHBondContact O-ND1 3.37Å; H400-Q402 PolarHBondContact O-N 3.37Å; H400-Q402 PolarHBondContact O-NE2 3.38Å
401	D	97.1	Very high	95.7	Very high	56 Å²	56	64.1 Å²	64.1	30%	0.299	30%	0.3	S	S	.	.			trans	-75.7	97.2	-179.1	-175.1	-13.4	0	0	0	111.4	K397 T403 Y404	K397-D401 WeakPolarHBondContact O-CB 3.13Å; K397-D401 PolarHBondContact O-N 3.05Å; K397-D401 VanDerWaalsContact O-N 3.09Å; D401-T403 VanDerWaalsContact CG-OG1 3.31Å; D401-T403 PolarHBondContact O-N 3.38Å; D401-T403 VanDerWaalsContact OD1-CB 3.25Å; D401-T403 WeakPolarHBondContact OD1-CB 3.35Å; D401-T403 VanDerWaalsContact OD1-CG2 3.3Å; D401-T403 WeakPolarHBondContact OD1-CG2 3.2Å; D401-T403 PolarHBondContact OD1-N 3.38Å; D401-T403 PolarHBondContact OD1-OG1 2.88Å; D401-T403 PolarHBondContact OD2-OG1 3.24Å; D401-Y404 HydrophobicContact CB-CD2 3.78Å; D401-Y404 HydrophobicContact CB-CE2 3.64Å; D401-Y404 WeakPolarHBondContact O-CD2 3.44Å; D401-Y404 PolarHBondContact O-N 2.89Å
402	Q	96.9	Very high	95.5	Very high	105 Å²	105	64.9 Å²	64.9	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-13.5	-179.4	-63.2	-54	-53.5	0	0	114	L399 H400 Y404 K405 Q406	L399-Q402 PolarHBondContact O-NE2 3.25Å; H400-Q402 PolarHBondContact O-N 3.37Å; H400-Q402 PolarHBondContact O-NE2 3.38Å; Q402-Y404 PolarHBondContact O-N 2.87Å; Q402-K405 PolarHBondContact O-N 3.49Å; Q402-Q406 VanDerWaalsContact O-CG 3.27Å; Q402-Q406 WeakPolarHBondContact O-CG 3.43Å; Q402-Q406 PolarHBondContact O-N 3.17Å
403	T	97.8	Very high	95.2	Very high	58 Å²	58	63.4 Å²	63.4	36%	0.356	31%	0.312	S	S	.	.	H	α-helix	trans	-64	-31.3	178.1	69.3	0	0	0	0	111.9	D401 R407	D401-T403 VanDerWaalsContact CG-OG1 3.31Å; D401-T403 PolarHBondContact O-N 3.38Å; D401-T403 VanDerWaalsContact OD1-CB 3.25Å; D401-T403 WeakPolarHBondContact OD1-CB 3.35Å; D401-T403 VanDerWaalsContact OD1-CG2 3.3Å; D401-T403 WeakPolarHBondContact OD1-CG2 3.2Å; D401-T403 PolarHBondContact OD1-N 3.38Å; D401-T403 PolarHBondContact OD1-OG1 2.88Å; D401-T403 PolarHBondContact OD2-OG1 3.24Å; T403-R407 WeakPolarHBondContact O-CB 3.41Å; T403-R407 VanDerWaalsContact O-CG 3.23Å; T403-R407 WeakPolarHBondContact O-CG 3.27Å; T403-R407 PolarHBondContact O-N 2.77Å
404	Y	97.9	Very high	94.8	Very high	23 Å²	23	61.7 Å²	61.7	9%	0.09	31%	0.306	C	S	.	.	H	α-helix	trans	-63.6	-47	173.6	-59.4	-58.7	0	0	0	111.5	G376 G378 L379 V398 D401 Q402 R407 V408	G376-Y404 WeakPolarHBondContact O-CD1 3.36Å; G378-Y404 VanDerWaalsContact N-CD1 3.32Å; L379-Y404 WeakPolarHBondContact CD2-OH 3.34Å; L379-Y404 HydrophobicContact CG-CE1 4.47Å; V398-Y404 HydrophobicContact CB-CD2 4.3Å; V398-Y404 HydrophobicContact CB-CE2 4.49Å; V398-Y404 HydrophobicContact CG1-CD2 4.03Å; V398-Y404 HydrophobicContact CG1-CG 4.37Å; V398-Y404 HydrophobicContact CG2-CD2 4.44Å; V398-Y404 HydrophobicContact CG2-CE2 4.26Å; D401-Y404 HydrophobicContact CB-CD2 3.78Å; D401-Y404 HydrophobicContact CB-CE2 3.64Å; D401-Y404 WeakPolarHBondContact O-CD2 3.44Å; D401-Y404 PolarHBondContact O-N 2.89Å; Q402-Y404 PolarHBondContact O-N 2.87Å; Y404-R407 PolarHBondContact O-N 3.2Å; Y404-V408 WeakPolarHBondContact O-CG1 3.41Å; Y404-V408 PolarHBondContact O-N 3.28Å
405	K	96.8	Very high	94	Very high	71 Å²	71	61.8 Å²	61.8	31%	0.309	31%	0.305	S	S	.	.	H	α-helix	trans	-63.6	-46.2	177.4	-177.2	63	179	-173.8	0	111.5	A353 P355 Q402 R407 V408 T409	A353-K405 WeakPolarHBondContact O-CD 3.45Å; A353-K405 WeakPolarHBondContact O-CE 3.42Å; A353-K405 PolarHBondContact O-NZ 3.06Å; P355-K405 HydrophobicContact CG-CB 4.01Å; P355-K405 HydrophobicContact CG-CD 4.12Å; Q402-K405 PolarHBondContact O-N 3.49Å; K405-R407 VanDerWaalsContact C-N 3.35Å; K405-R407 PolarHBondContact O-N 3.5Å; K405-V408 HydrophobicContact CD-CG1 4.48Å; K405-V408 WeakPolarHBondContact O-CG1 3.41Å; K405-V408 PolarHBondContact O-N 2.82Å; K405-T409 WeakPolarHBondContact O-CB 3.46Å; K405-T409 PolarHBondContact O-N 3.25Å; K405-T409 PolarHBondContact O-OG1 3.25Å; K405-T409 VanDerWaalsContact O-OG1 3.09Å
406	Q	97.9	Very high	93.2	Very high	129 Å²	129	65.7 Å²	65.7	60%	0.603	33%	0.333	S	S	*	.	H	α-helix	trans	-59.1	-44.3	177.8	-70.2	167.7	0	0	0	112.1	Q402 K410	Q402-Q406 VanDerWaalsContact O-CG 3.27Å; Q402-Q406 WeakPolarHBondContact O-CG 3.43Å; Q402-Q406 PolarHBondContact O-N 3.17Å; Q406-K410 WeakPolarHBondContact O-CB 3.46Å; Q406-K410 PolarHBondContact O-N 2.69Å
407	R	97.4	Very high	92.5	Very high	134 Å²	134	70.7 Å²	70.7	51%	0.506	36%	0.358	S	S	.	.	H	α-helix	trans	-68.9	-44.1	180	-74.4	172.8	177.5	-144.5	7.9	112.7	H375 G376 L377 T403 Y404 K405 K410 L411	H375-R407 PolarHBondContact O-NH1 2.58Å; G376-R407 WeakPolarHBondContact O-CB 3.19Å; G376-R407 WeakPolarHBondContact O-CD 3.37Å; L377-R407 HydrophobicContact CD2-CB 4.34Å; T403-R407 WeakPolarHBondContact O-CB 3.41Å; T403-R407 VanDerWaalsContact O-CG 3.23Å; T403-R407 WeakPolarHBondContact O-CG 3.27Å; T403-R407 PolarHBondContact O-N 2.77Å; Y404-R407 PolarHBondContact O-N 3.2Å; K405-R407 VanDerWaalsContact C-N 3.35Å; K405-R407 PolarHBondContact O-N 3.5Å; R407-K410 PolarHBondContact O-N 3.28Å; R407-L411 WeakPolarHBondContact O-CB 3.49Å; R407-L411 PolarHBondContact O-N 3.36Å
408	V	94.3	Very high	91.5	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-69.5	-35.2	178.2	75.9	0	0	0	0	112	I350 A353 P355 L377 Y404 K405 L411 S412	I350-V408 HydrophobicContact CB-CG2 4.35Å; I350-V408 HydrophobicContact CG1-CG2 4.21Å; I350-V408 HydrophobicContact CG2-CG2 4.36Å; A353-V408 VanDerWaalsContact C-CG1 3.48Å; A353-V408 WeakPolarHBondContact O-CG1 3.42Å; P355-V408 HydrophobicContact CG-CG1 4.19Å; L377-V408 HydrophobicContact CB-CB 4.47Å; L377-V408 HydrophobicContact CD2-CB 3.92Å; L377-V408 HydrophobicContact CD2-CG2 4.19Å; Y404-V408 WeakPolarHBondContact O-CG1 3.41Å; Y404-V408 PolarHBondContact O-N 3.28Å; K405-V408 HydrophobicContact CD-CG1 4.48Å; K405-V408 WeakPolarHBondContact O-CG1 3.41Å; K405-V408 PolarHBondContact O-N 2.82Å; V408-L411 PolarHBondContact O-N 2.93Å; V408-S412 WeakPolarHBondContact O-CB 3.39Å; V408-S412 PolarHBondContact O-N 3.12Å
409	T	93.1	Very high	90.5	Very high	64 Å²	64	76.8 Å²	76.8	39%	0.393	40%	0.395	S	S	.	.	H	α-helix	trans	-63	-42.6	170.3	-65.2	0	0	0	0	111.9	K405 S412 A413	K405-T409 WeakPolarHBondContact O-CB 3.46Å; K405-T409 PolarHBondContact O-N 3.25Å; K405-T409 PolarHBondContact O-OG1 3.25Å; K405-T409 VanDerWaalsContact O-OG1 3.09Å; T409-S412 WeakPolarHBondContact O-CB 3.45Å; T409-S412 PolarHBondContact O-N 2.93Å; T409-A413 PolarHBondContact O-N 3.07Å
410	K	95.3	Very high	89.8	Confident	146 Å²	146	79.5 Å²	79.5	64%	0.635	41%	0.409	S	S	*	.	H	α-helix	trans	-62	-44.7	175.5	-178.2	174.5	179.1	176	0	111.9	Q406 R407 A413 M414	Q406-K410 WeakPolarHBondContact O-CB 3.46Å; Q406-K410 PolarHBondContact O-N 2.69Å; R407-K410 PolarHBondContact O-N 3.28Å; K410-A413 PolarHBondContact O-N 3.01Å; K410-M414 HydrophobicContact CG-SD 4.13Å; K410-M414 VanDerWaalsContact O-CG 3.31Å; K410-M414 WeakPolarHBondContact O-CG 3.45Å; K410-M414 PolarHBondContact O-N 3.5Å
411	L	90.6	Very high	89	Confident	17 Å²	17	77.7 Å²	77.7	9%	0.089	40%	0.403	C	S	.	.	H	α-helix	trans	-69.9	-36.9	-179.9	-174.7	58.7	0	0	0	112.5	L258 I350 L377 R407 V408 M414 L415	L258-L411 HydrophobicContact CD2-CD1 4.3Å; L258-L411 HydrophobicContact CD2-CD2 3.71Å; L258-L411 HydrophobicContact CD2-CG 4.15Å; I350-L411 HydrophobicContact CD1-CD2 4.33Å; I350-L411 HydrophobicContact CG2-CB 4.3Å; I350-L411 HydrophobicContact CG2-CD2 3.93Å; I350-L411 HydrophobicContact CG2-CG 3.82Å; L377-L411 HydrophobicContact CD1-CD2 3.65Å; L377-L411 HydrophobicContact CD2-CB 4.41Å; L377-L411 HydrophobicContact CD2-CD2 3.69Å; L377-L411 HydrophobicContact CG-CD2 4.28Å; R407-L411 WeakPolarHBondContact O-CB 3.49Å; R407-L411 PolarHBondContact O-N 3.36Å; V408-L411 PolarHBondContact O-N 2.93Å; L411-M414 PolarHBondContact O-N 2.98Å; L411-L415 HydrophobicContact CD1-CD1 4.42Å; L411-L415 HydrophobicContact CD1-CG 4.46Å; L411-L415 HydrophobicContact CG-CD1 4.19Å; L411-L415 WeakPolarHBondContact O-CB 3.32Å; L411-L415 WeakPolarHBondContact O-CG 3.31Å; L411-L415 PolarHBondContact O-N 3.47Å
412	S	87.8	Confident	88.2	Confident	17 Å²	17	76.2 Å²	76.2	12%	0.119	39%	0.394	C	S	.	.	H	α-helix	trans	-54.1	-54.8	169.7	176.5	0	0	0	0	110.7	I350 C351 V408 T409 M414 L415 S416	I350-S412 WeakPolarHBondContact O-CB 3.34Å; I350-S412 PolarHBondContact O-OG 2.92Å; C351-S412 PolarHBondContact O-OG 2.96Å; V408-S412 WeakPolarHBondContact O-CB 3.39Å; V408-S412 PolarHBondContact O-N 3.12Å; T409-S412 WeakPolarHBondContact O-CB 3.45Å; T409-S412 PolarHBondContact O-N 2.93Å; S412-M414 PolarHBondContact O-N 2.88Å; S412-L415 PolarHBondContact O-N 3.38Å; S412-L415 VanDerWaalsContact O-N 3.08Å; S412-S416 PolarHBondContact O-N 3Å; S412-S416 PolarHBondContact O-OG 3.08Å; S412-S416 VanDerWaalsContact O-OG 3.13Å
413	A	86.9	Confident	87.4	Confident	60 Å²	60	72 Å²	72	50%	0.496	38%	0.375	S	S	.	.	H	α-helix	trans	-58.4	-45	178.7	0	0	0	0	0	112.4	T409 K410 L415 S416 D417	T409-A413 PolarHBondContact O-N 3.07Å; K410-A413 PolarHBondContact O-N 3.01Å; A413-L415 VanDerWaalsContact C-N 3.28Å; A413-L415 PolarHBondContact O-N 3.06Å; A413-S416 PolarHBondContact O-N 3.4Å; A413-D417 WeakPolarHBondContact O-CB 3.46Å; A413-D417 PolarHBondContact O-N 3.48Å; A413-D417 VanDerWaalsContact O-N 3.11Å
414	M	86.9	Confident	86.8	Confident	94 Å²	94	74.7 Å²	74.7	46%	0.463	38%	0.384	S	S	.	.	H	α-helix	trans	-62.1	-31.8	176.4	-70.4	171.4	60.7	0	0	113.6	K410 L411 S412	K410-M414 HydrophobicContact CG-SD 4.13Å; K410-M414 VanDerWaalsContact O-CG 3.31Å; K410-M414 WeakPolarHBondContact O-CG 3.45Å; K410-M414 PolarHBondContact O-N 3.5Å; L411-M414 PolarHBondContact O-N 2.98Å; S412-M414 PolarHBondContact O-N 2.88Å
415	L	79.6	Confident	86.1	Confident	24 Å²	24	76.2 Å²	76.2	13%	0.126	39%	0.391	C	S	.	.	H	α-helix	trans	-85.1	-20.6	177.9	-74.9	171.8	0	0	0	113.7	M257 L258 I350 L411 S412 A413 N418	M257-L415 HydrophobicContact CB-CD2 4Å; M257-L415 HydrophobicContact SD-CD2 4.03Å; L258-L415 HydrophobicContact CD1-CD1 3.96Å; L258-L415 HydrophobicContact CD2-CD1 3.77Å; L258-L415 HydrophobicContact CG-CD1 3.91Å; L258-L415 HydrophobicContact CG-CD2 4.28Å; I350-L415 HydrophobicContact CG2-CD1 3.63Å; L411-L415 HydrophobicContact CD1-CD1 4.42Å; L411-L415 HydrophobicContact CD1-CG 4.46Å; L411-L415 HydrophobicContact CG-CD1 4.19Å; L411-L415 WeakPolarHBondContact O-CB 3.32Å; L411-L415 WeakPolarHBondContact O-CG 3.31Å; L411-L415 PolarHBondContact O-N 3.47Å; S412-L415 PolarHBondContact O-N 3.38Å; S412-L415 VanDerWaalsContact O-N 3.08Å; A413-L415 VanDerWaalsContact C-N 3.28Å; A413-L415 PolarHBondContact O-N 3.06Å; L415-N418 PolarHBondContact O-ND2 2.84Å
416	S	78.1	Confident	85.6	Confident	85 Å²	85	72.8 Å²	72.8	59%	0.594	38%	0.376	S	S	*	.	H	α-helix	trans	-85.2	-20.3	174.5	-60.4	0	0	0	0	112.7	S412 A413 N418	S412-S416 PolarHBondContact O-N 3Å; S412-S416 PolarHBondContact O-OG 3.08Å; S412-S416 VanDerWaalsContact O-OG 3.13Å; A413-S416 PolarHBondContact O-N 3.4Å; S416-N418 PolarHBondContact O-N 2.89Å
417	D	81.3	Confident	85.1	Confident	141 Å²	141	66.9 Å²	66.9	75%	0.754	35%	0.349	S	S	*	.			trans	-79.3	61.5	178	-165.3	19.8	0	0	0	112	A413	A413-D417 WeakPolarHBondContact O-CB 3.46Å; A413-D417 PolarHBondContact O-N 3.48Å; A413-D417 VanDerWaalsContact O-N 3.11Å
418	N	75.4	Confident	84.7	Confident	66 Å²	66	65 Å²	65	35%	0.353	35%	0.345	S	S	.	.			trans	-105.8	148.8	175.2	-58.6	-52.3	0	0	0	111	L415 S416 I420	L415-N418 PolarHBondContact O-ND2 2.84Å; S416-N418 PolarHBondContact O-N 2.89Å; N418-I420 VanDerWaalsContact C-N 3.28Å; N418-I420 WeakPolarHBondContact CB-O 3.48Å; N418-I420 PolarHBondContact O-N 3.13Å
419	L	77.6	Confident	84.4	Confident	182 Å²	182	67.1 Å²	67.1	95%	0.953	35%	0.353	S	S	*	.	S	Bend	trans	-63.4	-31	176.4	-68.4	172.3	0	0	0	113.7
420	I	81.3	Confident	84.2	Confident	79 Å²	79	64.1 Å²	64.1	41%	0.405	34%	0.335	S	S	.	.	S	Bend	trans	-147	159.1	177.2	59	174	0	0	0	108.8	N418 K425	N418-I420 VanDerWaalsContact C-N 3.28Å; N418-I420 WeakPolarHBondContact CB-O 3.48Å; N418-I420 PolarHBondContact O-N 3.13Å; I420-K425 HydrophobicContact CD1-CB 3.53Å; I420-K425 HydrophobicContact CD1-CG 3.92Å; I420-K425 HydrophobicContact CG1-CB 3.94Å; I420-K425 HydrophobicContact CG1-CG 4.39Å
421	D	79.6	Confident	83.9	Confident	81 Å²	81	57.5 Å²	57.5	43%	0.433	31%	0.307	S	S	.	.			trans	-60.9	143	171.7	173.9	-104.1	0	0	0	111.1	T423 E424 K425	D421-T423 VanDerWaalsContact C-N 3.28Å; D421-T423 PolarHBondContact O-N 3.03Å; D421-T423 WeakPolarHBondContact OD1-CA 3.16Å; D421-T423 WeakPolarHBondContact OD1-CB 3.33Å; D421-T423 PolarHBondContact OD1-N 3.31Å; D421-T423 PolarHBondContact OD1-OG1 3.46Å; D421-E424 HydrophobicContact CB-CB 4.17Å; D421-E424 HydrophobicContact CB-CG 4.06Å; D421-E424 PolarHBondContact O-N 3.41Å; D421-E424 PolarHBondContact OD1-N 2.98Å; D421-E424 VanDerWaalsContact OD1-N 3.13Å; D421-K425 VanDerWaalsContact O-CB 3.31Å; D421-K425 WeakPolarHBondContact O-CB 3.29Å; D421-K425 PolarHBondContact O-N 3.15Å
422	E	79.2	Confident	83.8	Confident	25 Å²	25	59 Å²	59	12%	0.117	31%	0.312	C	S	.	.	H	α-helix	trans	-68.3	-27.4	-177.1	-68	-67.9	118.5	0	0	112.1	L271 K425 G426	L271-E422 WeakPolarHBondContact CD2-O 3.04Å; E422-K425 WeakPolarHBondContact O-CB 3.22Å; E422-K425 WeakPolarHBondContact OE1-CD 3.28Å; E422-K425 IonicContact OE1-NZ 3.59Å; E422-K425 PolarHBondContact OE1-NZ 3.03Å; E422-K425 WeakPolarHBondContact OE2-CD 3.09Å; E422-K425 IonicContact OE2-NZ 2.73Å; E422-K425 PolarHBondContact OE2-NZ 3.3Å; E422-G426 PolarHBondContact O-N 3.18Å
423	T	81.4	Confident	83.8	Confident	15 Å²	15	59.2 Å²	59.2	9%	0.092	31%	0.311	C	S	.	.	H	α-helix	trans	-71.9	-42.1	173.3	-33.8	0	0	0	0	111.5	P43 L44 L271 D421 K425 G426 S427	P43-T423 HydrophobicContact CB-CG2 4.03Å; L44-T423 HydrophobicContact CB-CG2 4.45Å; L271-T423 VanDerWaalsContact CD2-CA 3.48Å; L271-T423 HydrophobicContact CD2-CG2 4.31Å; D421-T423 VanDerWaalsContact C-N 3.28Å; D421-T423 PolarHBondContact O-N 3.03Å; D421-T423 WeakPolarHBondContact OD1-CA 3.16Å; D421-T423 WeakPolarHBondContact OD1-CB 3.33Å; D421-T423 PolarHBondContact OD1-N 3.31Å; D421-T423 PolarHBondContact OD1-OG1 3.46Å; T423-K425 VanDerWaalsContact C-N 3.34Å; T423-G426 PolarHBondContact O-N 3.39Å; T423-S427 PolarHBondContact O-N 3.24Å
424	E	83.7	Confident	83.9	Confident	115 Å²	115	57.3 Å²	57.3	54%	0.537	29%	0.292	S	S	.	.	H	α-helix	trans	-63.9	-38.8	171.6	-67.1	-170.8	161.4	0	0	111.9	D421 S427 F428	D421-E424 HydrophobicContact CB-CB 4.17Å; D421-E424 HydrophobicContact CB-CG 4.06Å; D421-E424 PolarHBondContact O-N 3.41Å; D421-E424 PolarHBondContact OD1-N 2.98Å; D421-E424 VanDerWaalsContact OD1-N 3.13Å; E424-S427 PolarHBondContact O-N 3.05Å; E424-F428 VanDerWaalsContact O-CB 3.31Å; E424-F428 WeakPolarHBondContact O-CB 3.17Å; E424-F428 PolarHBondContact O-N 3.33Å
425	K	84.6	Confident	83.9	Confident	55 Å²	55	58.7 Å²	58.7	24%	0.239	29%	0.292	C	S	.	.	H	α-helix	trans	-59.7	-46	172.4	-174.7	-180	178.6	-170.5	0	111.7	I420 D421 E422 T423 F428 W429	I420-K425 HydrophobicContact CD1-CB 3.53Å; I420-K425 HydrophobicContact CD1-CG 3.92Å; I420-K425 HydrophobicContact CG1-CB 3.94Å; I420-K425 HydrophobicContact CG1-CG 4.39Å; D421-K425 VanDerWaalsContact O-CB 3.31Å; D421-K425 WeakPolarHBondContact O-CB 3.29Å; D421-K425 PolarHBondContact O-N 3.15Å; E422-K425 WeakPolarHBondContact O-CB 3.22Å; E422-K425 WeakPolarHBondContact OE1-CD 3.28Å; E422-K425 IonicContact OE1-NZ 3.59Å; E422-K425 PolarHBondContact OE1-NZ 3.03Å; E422-K425 WeakPolarHBondContact OE2-CD 3.09Å; E422-K425 IonicContact OE2-NZ 2.73Å; E422-K425 PolarHBondContact OE2-NZ 3.3Å; T423-K425 VanDerWaalsContact C-N 3.34Å; K425-F428 PolarHBondContact O-N 3.22Å; K425-W429 PolarHBondContact O-N 3.38Å
426	G	85.2	Confident	84.2	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.3	-49.5	173.5	0	0	0	0	0	112.1	E422 T423 F428 W429 I430	E422-G426 PolarHBondContact O-N 3.18Å; T423-G426 PolarHBondContact O-N 3.39Å; G426-F428 PolarHBondContact O-N 3.41Å; G426-W429 PolarHBondContact O-N 3.34Å; G426-I430 WeakPolarHBondContact O-CD1 3.26Å; G426-I430 VanDerWaalsContact O-CG1 3.29Å; G426-I430 WeakPolarHBondContact O-CG1 3.32Å; G426-I430 PolarHBondContact O-N 2.92Å; G426-I430 VanDerWaalsContact O-N 3.08Å
427	S	88.2	Confident	84.1	Confident	4 Å²	4	61.7 Å²	61.7	3%	0.028	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-45.2	175.9	-151.4	0	0	0	0	111.6	L48 D51 T423 E424 W429 I430 S431	L48-S427 WeakPolarHBondContact CD2-OG 3.48Å; D51-S427 PolarHBondContact OD2-OG 2.93Å; T423-S427 PolarHBondContact O-N 3.24Å; E424-S427 PolarHBondContact O-N 3.05Å; S427-W429 PolarHBondContact O-N 3.48Å; S427-I430 PolarHBondContact O-N 3.44Å; S427-S431 VanDerWaalsContact O-CB 3.28Å; S427-S431 WeakPolarHBondContact O-CB 3.42Å; S427-S431 PolarHBondContact O-N 2.79Å; S427-S431 PolarHBondContact O-OG 2.84Å; S427-S431 VanDerWaalsContact O-OG 3.12Å
428	F	88.7	Confident	83.6	Confident	96 Å²	96	60.9 Å²	60.9	42%	0.421	30%	0.295	S	S	.	.	H	α-helix	trans	-57.8	-46.9	178.7	172.8	-90.9	0	0	0	112.2	E424 K425 G426 S431 F432	E424-F428 VanDerWaalsContact O-CB 3.31Å; E424-F428 WeakPolarHBondContact O-CB 3.17Å; E424-F428 PolarHBondContact O-N 3.33Å; K425-F428 PolarHBondContact O-N 3.22Å; G426-F428 PolarHBondContact O-N 3.41Å; F428-S431 PolarHBondContact O-N 3Å; F428-F432 HydrophobicContact CE1-CB 4.5Å; F428-F432 VanDerWaalsContact O-CB 3.26Å; F428-F432 WeakPolarHBondContact O-CB 3.41Å; F428-F432 PolarHBondContact O-N 2.8Å
429	W	87.6	Confident	83.1	Confident	44 Å²	44	58.7 Å²	58.7	17%	0.167	28%	0.283	C	S	.	.	H	α-helix	trans	-68.9	-39.6	-179.9	-77.1	110.6	0	0	0	112.2	Y249 M266 F269 K425 G426 S427 F432 Y433	Y249-W429 HydrophobicContact CE2-CB 4.2Å; Y249-W429 VanDerWaalsContact CE2-O 3.29Å; Y249-W429 WeakPolarHBondContact CE2-O 3.46Å; M266-W429 HydrophobicContact CE-CH2 4.23Å; F269-W429 AromaticContact CD1-CD1 3.66Å; F269-W429 HydrophobicContact CD1-CG 4.27Å; F269-W429 AromaticContact CD1-NE1 3.72Å; F269-W429 HydrophobicContact CD2-CB 4.17Å; F269-W429 HydrophobicContact CD2-CG 4.13Å; F269-W429 AromaticContact CE1-CD1 3.44Å; F269-W429 VanDerWaalsContact CE1-CD1 3.44Å; F269-W429 AromaticContact CE1-CD2 3.7Å; F269-W429 HydrophobicContact CE1-CD2 3.7Å; F269-W429 AromaticContact CE1-CE2 3.41Å; F269-W429 VanDerWaalsContact CE1-CE2 3.41Å; F269-W429 AromaticContact CE1-CG 3.75Å; F269-W429 HydrophobicContact CE1-CG 3.75Å; F269-W429 HydrophobicContact CE1-CZ2 4.02Å; F269-W429 AromaticContact CE1-NE1 3.25Å; F269-W429 VanDerWaalsContact CE1-NE1 3.25Å; F269-W429 HydrophobicContact CE2-CB 3.71Å; F269-W429 AromaticContact CE2-CD1 3.92Å; F269-W429 AromaticContact CE2-CD2 3.96Å; F269-W429 HydrophobicContact CE2-CD2 3.96Å; F269-W429 HydrophobicContact CE2-CE3 4.49Å; F269-W429 AromaticContact CE2-CG 3.58Å; F269-W429 HydrophobicContact CE2-CG 3.58Å; F269-W429 HydrophobicContact CG-CG 4.45Å; F269-W429 HydrophobicContact CZ-CB 4.02Å; F269-W429 AromaticContact CZ-CD1 3.58Å; F269-W429 AromaticContact CZ-CD2 3.29Å; F269-W429 HydrophobicContact CZ-CD2 3.29Å; F269-W429 AromaticContact CZ-CE2 3.53Å; F269-W429 AromaticContact CZ-CE3 3.82Å; F269-W429 HydrophobicContact CZ-CE3 3.82Å; F269-W429 AromaticContact CZ-CG 3.36Å; F269-W429 HydrophobicContact CZ-CG 3.36Å; F269-W429 HydrophobicContact CZ-CZ2 4.22Å; F269-W429 HydrophobicContact CZ-CZ3 4.45Å; F269-W429 AromaticContact CZ-NE1 3.7Å; K425-W429 PolarHBondContact O-N 3.38Å; G426-W429 PolarHBondContact O-N 3.34Å; S427-W429 PolarHBondContact O-N 3.48Å; W429-F432 HydrophobicContact CE3-CB 4.44Å; W429-F432 HydrophobicContact CE3-CD1 4.13Å; W429-F432 HydrophobicContact CE3-CG 4.33Å; W429-F432 HydrophobicContact CZ3-CD1 4.16Å; W429-F432 HydrophobicContact CZ3-CE1 4.37Å; W429-F432 HydrophobicContact CZ3-CG 4.45Å; W429-F432 WeakPolarHBondContact O-CB 3.3Å; W429-F432 PolarHBondContact O-N 3.4Å; W429-Y433 PolarHBondContact O-N 3.16Å
430	I	90	Very high	82.2	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-58	-53.2	171.5	-70.1	166.3	0	0	0	110.4	I26 L44 L48 L139 I141 I163 L251 G426 S427 F432 Y433 L434	I26-I430 HydrophobicContact CD1-CG2 4.35Å; L44-I430 HydrophobicContact CD1-CD1 4.02Å; L44-I430 HydrophobicContact CD2-CD1 3.89Å; L44-I430 HydrophobicContact CG-CD1 4.21Å; L48-I430 HydrophobicContact CD1-CD1 3.95Å; L48-I430 HydrophobicContact CD1-CG2 4.27Å; L48-I430 HydrophobicContact CD2-CB 3.97Å; L48-I430 HydrophobicContact CD2-CD1 4.29Å; L48-I430 HydrophobicContact CD2-CG2 3.53Å; L139-I430 HydrophobicContact CD2-CG2 3.67Å; I141-I430 HydrophobicContact CD1-CD1 3.77Å; I163-I430 HydrophobicContact CD1-CD1 4.3Å; I163-I430 HydrophobicContact CD1-CG1 3.6Å; L251-I430 HydrophobicContact CD1-CD1 4.07Å; G426-I430 WeakPolarHBondContact O-CD1 3.26Å; G426-I430 VanDerWaalsContact O-CG1 3.29Å; G426-I430 WeakPolarHBondContact O-CG1 3.32Å; G426-I430 PolarHBondContact O-N 2.92Å; G426-I430 VanDerWaalsContact O-N 3.08Å; S427-I430 PolarHBondContact O-N 3.44Å; I430-F432 VanDerWaalsContact C-N 3.25Å; I430-F432 PolarHBondContact O-N 3.49Å; I430-Y433 PolarHBondContact O-N 3.33Å; I430-Y433 VanDerWaalsContact O-N 3.12Å; I430-L434 HydrophobicContact CG2-CD1 3.88Å; I430-L434 HydrophobicContact CG2-CG 4.48Å; I430-L434 WeakPolarHBondContact O-CG 3.46Å; I430-L434 PolarHBondContact O-N 3.5Å
431	S	89.3	Confident	81.1	Confident	7 Å²	7	56.9 Å²	56.9	5%	0.049	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-30.2	178.6	-65.4	0	0	0	0	112.1	D51 S427 F428 R435	D51-S431 PolarHBondContact OD2-OG 3.43Å; S427-S431 VanDerWaalsContact O-CB 3.28Å; S427-S431 WeakPolarHBondContact O-CB 3.42Å; S427-S431 PolarHBondContact O-N 2.79Å; S427-S431 PolarHBondContact O-OG 2.84Å; S427-S431 VanDerWaalsContact O-OG 3.12Å; F428-S431 PolarHBondContact O-N 3Å; S431-R435 VanDerWaalsContact O-CG 3.32Å; S431-R435 WeakPolarHBondContact O-CG 3.39Å; S431-R435 PolarHBondContact O-N 2.77Å; S431-R435 VanDerWaalsContact O-N 3.1Å; S431-R435 PolarHBondContact O-NH1 2.83Å
432	F	87.8	Confident	79.9	Confident	48 Å²	48	53.3 Å²	53.3	21%	0.211	26%	0.255	C	S	.	.	H	α-helix	trans	-65.4	-47.3	170.9	177.7	-85.4	0	0	0	111.6	F428 W429 I430 L434 R435 H436	F428-F432 HydrophobicContact CE1-CB 4.5Å; F428-F432 VanDerWaalsContact O-CB 3.26Å; F428-F432 WeakPolarHBondContact O-CB 3.41Å; F428-F432 PolarHBondContact O-N 2.8Å; W429-F432 HydrophobicContact CE3-CB 4.44Å; W429-F432 HydrophobicContact CE3-CD1 4.13Å; W429-F432 HydrophobicContact CE3-CG 4.33Å; W429-F432 HydrophobicContact CZ3-CD1 4.16Å; W429-F432 HydrophobicContact CZ3-CE1 4.37Å; W429-F432 HydrophobicContact CZ3-CG 4.45Å; W429-F432 WeakPolarHBondContact O-CB 3.3Å; W429-F432 PolarHBondContact O-N 3.4Å; I430-F432 VanDerWaalsContact C-N 3.25Å; I430-F432 PolarHBondContact O-N 3.49Å; F432-L434 VanDerWaalsContact C-N 3.33Å; F432-L434 PolarHBondContact O-N 3.08Å; F432-R435 PolarHBondContact O-N 3.46Å; F432-H436 AromaticContact CD2-CD2 3.76Å; F432-H436 HydrophobicContact CE1-CB 4.49Å; F432-H436 AromaticContact CE2-CD2 3.63Å; F432-H436 AromaticContact CZ-CD2 3.89Å; F432-H436 PolarHBondContact O-CD2 3Å; F432-H436 VanDerWaalsContact O-CD2 3.28Å; F432-H436 PolarHBondContact O-N 2.69Å
433	Y	87.8	Confident	78.8	Confident	22 Å²	22	53.4 Å²	53.4	9%	0.086	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-42.1	174.1	173.8	-100.8	0	0	0	112.1	L139 A161 V248 W429 I430 R435 H436 P437	L139-Y433 HydrophobicContact CD1-CD1 4.2Å; L139-Y433 HydrophobicContact CD1-CE1 4.08Å; A161-Y433 HydrophobicContact CB-CE1 3.72Å; A161-Y433 WeakPolarHBondContact CB-OH 3.36Å; V248-Y433 HydrophobicContact CB-CD2 4.38Å; V248-Y433 HydrophobicContact CB-CE2 4.29Å; V248-Y433 HydrophobicContact CG1-CD1 4.23Å; V248-Y433 HydrophobicContact CG1-CD2 3.23Å; V248-Y433 HydrophobicContact CG1-CE1 4.49Å; V248-Y433 HydrophobicContact CG1-CE2 3.53Å; V248-Y433 HydrophobicContact CG1-CG 3.61Å; V248-Y433 HydrophobicContact CG2-CD2 4.25Å; V248-Y433 HydrophobicContact CG2-CE1 4.15Å; V248-Y433 HydrophobicContact CG2-CE2 3.7Å; W429-Y433 PolarHBondContact O-N 3.16Å; I430-Y433 PolarHBondContact O-N 3.33Å; I430-Y433 VanDerWaalsContact O-N 3.12Å; Y433-R435 VanDerWaalsContact C-N 3.26Å; Y433-R435 PolarHBondContact O-N 3.29Å; Y433-H436 CarbonylContact O-C 3.54Å; Y433-H436 PolarHBondContact O-N 2.87Å; Y433-P437 WeakPolarHBondContact O-CA 3.32Å
434	L	88.9	Confident	77.3	Confident	20 Å²	20	55.6 Å²	55.6	11%	0.105	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-27.7	179.6	-67.7	171.2	0	0	0	113.2	K24 I26 D138 L139 I430 F432	K24-L434 HydrophobicContact CB-CD1 4.25Å; K24-L434 HydrophobicContact CB-CD2 4.47Å; K24-L434 HydrophobicContact CG-CB 4.38Å; K24-L434 HydrophobicContact CG-CD1 4.13Å; K24-L434 HydrophobicContact CG-CD2 4.16Å; K24-L434 HydrophobicContact CG-CG 4.45Å; I26-L434 HydrophobicContact CD1-CD1 3.75Å; D138-L434 HydrophobicContact CB-CD2 4.19Å; L139-L434 HydrophobicContact CB-CD2 4.11Å; L139-L434 HydrophobicContact CD2-CD2 4.46Å; I430-L434 HydrophobicContact CG2-CD1 3.88Å; I430-L434 HydrophobicContact CG2-CG 4.48Å; I430-L434 WeakPolarHBondContact O-CG 3.46Å; I430-L434 PolarHBondContact O-N 3.5Å; F432-L434 VanDerWaalsContact C-N 3.33Å; F432-L434 PolarHBondContact O-N 3.08Å
435	R	87.1	Confident	75.8	Confident	123 Å²	123	51.6 Å²	51.6	46%	0.464	26%	0.257	S	S	.	.	H	α-helix	trans	-80.3	-29.8	169.9	-70.1	-176.2	-55.1	-94.6	4.5	113.2	S431 F432 Y433 P437	S431-R435 VanDerWaalsContact O-CG 3.32Å; S431-R435 WeakPolarHBondContact O-CG 3.39Å; S431-R435 PolarHBondContact O-N 2.77Å; S431-R435 VanDerWaalsContact O-N 3.1Å; S431-R435 PolarHBondContact O-NH1 2.83Å; F432-R435 PolarHBondContact O-N 3.46Å; Y433-R435 VanDerWaalsContact C-N 3.26Å; Y433-R435 PolarHBondContact O-N 3.29Å; R435-P437 VanDerWaalsContact C-CD 3.45Å
436	H	84.9	Confident	74.2	Confident	88 Å²	88	49.9 Å²	49.9	41%	0.407	25%	0.251	S	S	.	.	S	Bend	trans	-128.5	64.3	-175.7	-51.8	-64.5	0	0	0	111.2	F432 Y433 N439	F432-H436 AromaticContact CD2-CD2 3.76Å; F432-H436 HydrophobicContact CE1-CB 4.49Å; F432-H436 AromaticContact CE2-CD2 3.63Å; F432-H436 AromaticContact CZ-CD2 3.89Å; F432-H436 PolarHBondContact O-CD2 3Å; F432-H436 VanDerWaalsContact O-CD2 3.28Å; F432-H436 PolarHBondContact O-N 2.69Å; Y433-H436 CarbonylContact O-C 3.54Å; Y433-H436 PolarHBondContact O-N 2.87Å; H436-N439 HydrophobicContact CB-CB 4.18Å; H436-N439 VanDerWaalsContact O-CB 3.29Å; H436-N439 WeakPolarHBondContact O-CB 3.29Å; H436-N439 PolarHBondContact O-N 3.03Å; H436-N439 PolarHBondContact O-ND2 2.87Å
437	P	77.5	Confident	72.5	Confident	83 Å²	83	51.2 Å²	51.2	54%	0.539	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	148.3	176.4	28.3	-35.2	0	0	0	110.1	Y433 R435 N439	Y433-P437 WeakPolarHBondContact O-CA 3.32Å; R435-P437 VanDerWaalsContact C-CD 3.45Å; P437-N439 PolarHBondContact O-N 3.37Å
438	Q	70	Confident	70.4	Confident	124 Å²	124	51.2 Å²	51.2	58%	0.579	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	24.7	-175.2	-60.2	-172.4	11.8	0	0	114.7	N447	Q438-N447 VanDerWaalsContact CA-OD1 3.28Å; Q438-N447 WeakPolarHBondContact CA-OD1 3.12Å; Q438-N447 WeakPolarHBondContact CB-OD1 3.44Å; Q438-N447 WeakPolarHBondContact CG-OD1 3.47Å; Q438-N447 PolarHBondContact O-ND2 2.85Å
439	N	64.2	Low	68.6	Low	21 Å²	21	51.7 Å²	51.7	11%	0.112	27%	0.265	C	S	.	.			trans	-56.3	157.5	175.5	62.1	62.6	0	0	0	112.6	H436 P437 L441 S442	H436-N439 HydrophobicContact CB-CB 4.18Å; H436-N439 VanDerWaalsContact O-CB 3.29Å; H436-N439 WeakPolarHBondContact O-CB 3.29Å; H436-N439 PolarHBondContact O-N 3.03Å; H436-N439 PolarHBondContact O-ND2 2.87Å; P437-N439 PolarHBondContact O-N 3.37Å; N439-L441 PolarHBondContact O-N 3.24Å; N439-L441 WeakPolarHBondContact OD1-CA 3.04Å; N439-L441 WeakPolarHBondContact OD1-CB 3.42Å; N439-L441 PolarHBondContact OD1-N 2.84Å; N439-L441 VanDerWaalsContact OD1-N 3.11Å; N439-S442 WeakPolarHBondContact O-CB 3.32Å; N439-S442 PolarHBondContact O-N 3.1Å; N439-S442 PolarHBondContact O-OG 3.23Å; N439-S442 PolarHBondContact OD1-N 2.87Å; N439-S442 PolarHBondContact OD1-OG 3.37Å
440	L	58.7	Low	66.9	Low	144 Å²	144	52.8 Å²	52.8	75%	0.754	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-8.5	-178.4	-62.3	172.6	0	0	0	114.7
441	L	58.6	Low	65.1	Low	79 Å²	79	59.4 Å²	59.4	41%	0.414	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-16.6	176	-55	174.8	0	0	0	112.5	M266 N439	M266-L441 HydrophobicContact SD-CD2 4.39Å; N439-L441 PolarHBondContact O-N 3.24Å; N439-L441 WeakPolarHBondContact OD1-CA 3.04Å; N439-L441 WeakPolarHBondContact OD1-CB 3.42Å; N439-L441 PolarHBondContact OD1-N 2.84Å; N439-L441 VanDerWaalsContact OD1-N 3.11Å
442	S	55.5	Low	63.2	Low	5 Å²	5	60.6 Å²	60.6	4%	0.035	31%	0.31	C	S	.	.	S	Bend	trans	-71.1	143.8	177.1	-55.7	0	0	0	0	109.2	N439 T446	N439-S442 WeakPolarHBondContact O-CB 3.32Å; N439-S442 PolarHBondContact O-N 3.1Å; N439-S442 PolarHBondContact O-OG 3.23Å; N439-S442 PolarHBondContact OD1-N 2.87Å; N439-S442 PolarHBondContact OD1-OG 3.37Å; S442-T446 VanDerWaalsContact CB-OG1 3.32Å; S442-T446 WeakPolarHBondContact CB-OG1 3.44Å
443	P	55.4	Low	61.6	Low	27 Å²	27	60.6 Å²	60.6	18%	0.175	31%	0.309	C	S	.	.			trans	-53.5	137.1	-177.4	-25.6	32.9	0	0	0	110.9	A247 S445 T446	A247-P443 WeakPolarHBondContact O-CG 3.34Å; P443-S445 PolarHBondContact O-N 3.47Å; P443-T446 HydrophobicContact CB-CG2 4.35Å; P443-T446 HydrophobicContact CG-CG2 4.37Å; P443-T446 WeakPolarHBondContact O-CB 3.47Å; P443-T446 PolarHBondContact O-N 3.35Å; P443-T446 PolarHBondContact O-OG1 3.31Å
444	P	50.2	Low	59.9	Low	61 Å²	61	63.3 Å²	63.3	40%	0.396	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.2	-172.7	-24.4	32.3	0	0	0	113.9	T446 N447 C484	P444-T446 VanDerWaalsContact C-N 3.29Å; P444-T446 PolarHBondContact O-N 2.85Å; P444-N447 PolarHBondContact O-N 3.01Å; P444-C484 WeakPolarHBondContact CB-O 3.24Å
445	S	51.7	Low	58.4	Low	31 Å²	31	67.8 Å²	67.8	22%	0.217	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.9	169.8	53.1	0	0	0	0	113.9	N246 P443 N447 C448 R453	N246-S445 WeakPolarHBondContact OD1-CB 3.18Å; N246-S445 PolarHBondContact OD1-OG 2.81Å; P443-S445 PolarHBondContact O-N 3.47Å; S445-N447 VanDerWaalsContact C-N 3.31Å; S445-N447 PolarHBondContact O-N 3.13Å; S445-C448 PolarHBondContact O-N 2.73Å; S445-R453 PolarHBondContact O-NE 3.33Å; S445-R453 PolarHBondContact O-NH2 3.41Å
446	T	50.6	Low	56.7	Low	19 Å²	19	65.2 Å²	65.2	12%	0.117	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-35.1	176.6	59.5	0	0	0	0	112.4	N246 S442 P443 P444 C448 R453	N246-T446 HydrophobicContact CB-CG2 4.32Å; N246-T446 WeakPolarHBondContact O-CG2 3.33Å; S442-T446 VanDerWaalsContact CB-OG1 3.32Å; S442-T446 WeakPolarHBondContact CB-OG1 3.44Å; P443-T446 HydrophobicContact CB-CG2 4.35Å; P443-T446 HydrophobicContact CG-CG2 4.37Å; P443-T446 WeakPolarHBondContact O-CB 3.47Å; P443-T446 PolarHBondContact O-N 3.35Å; P443-T446 PolarHBondContact O-OG1 3.31Å; P444-T446 VanDerWaalsContact C-N 3.29Å; P444-T446 PolarHBondContact O-N 2.85Å; T446-C448 VanDerWaalsContact C-N 3.33Å; T446-C448 PolarHBondContact O-N 2.93Å; T446-R453 PolarHBondContact O-NH2 3.34Å
447	N	49.3	Very low	55.1	Low	28 Å²	28	63.4 Å²	63.4	15%	0.15	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-8	-179.3	-66.9	-3.4	0	0	0	113.6	Q438 P444 S445	Q438-N447 VanDerWaalsContact CA-OD1 3.28Å; Q438-N447 WeakPolarHBondContact CA-OD1 3.12Å; Q438-N447 WeakPolarHBondContact CB-OD1 3.44Å; Q438-N447 WeakPolarHBondContact CG-OD1 3.47Å; Q438-N447 PolarHBondContact O-ND2 2.85Å; P444-N447 PolarHBondContact O-N 3.01Å; S445-N447 VanDerWaalsContact C-N 3.31Å; S445-N447 PolarHBondContact O-N 3.13Å
448	C	45.3	Very low	54	Low	5 Å²	5	62.1 Å²	62.1	3%	0.034	32%	0.322	C	S	.	.	S	Bend	trans	-77.6	132.8	172.6	-65.7	0	0	0	0	112.5	S445 T446 Q452 R453 C484	S445-C448 PolarHBondContact O-N 2.73Å; T446-C448 VanDerWaalsContact C-N 3.33Å; T446-C448 PolarHBondContact O-N 2.93Å; C448-Q452 HydrophobicContact CB-CB 4.14Å; C448-R453 HydrophobicContact CB-CG 3.55Å; C448-R453 PolarHBondContact O-NE 2.72Å; C448-C484 WeakPolarHBondContact CA-SG 3.28Å; C448-C484 HydrophobicContact CB-CB 4.46Å; C448-C484 WeakPolarHBondContact CB-SG 3.38Å; C448-C484 WeakPolarHBondContact SG-CB 3.44Å; C448-C484 CovalentContact SG-SG 2.03Å; C448-C484 PolarHBondContact SG-SG 2.92Å
449	L	51	Low	53.1	Low	106 Å²	106	58.2 Å²	58.2	56%	0.555	31%	0.306	S	S	*	.			trans	-55.7	147.7	164.8	-72	162.4	0	0	0	110.1	I451 Q452 R453	L449-I451 PolarHBondContact O-N 2.64Å; L449-Q452 HydrophobicContact CB-CG 4.4Å; L449-Q452 WeakPolarHBondContact O-CA 3.06Å; L449-Q452 WeakPolarHBondContact O-CB 3.26Å; L449-Q452 PolarHBondContact O-N 3.15Å; L449-R453 PolarHBondContact O-N 3.32Å
450	F	50.3	Low	52.4	Low	67 Å²	67	61.3 Å²	61.3	29%	0.294	33%	0.329	S	S	.	.	H	α-helix	trans	-50.3	-38.9	-177.1	-177.4	-95.1	0	0	0	113.6	K158 R453 K454	K158-F450 HydrophobicContact CG-CD2 4.25Å; K158-F450 HydrophobicContact CG-CG 4.34Å; F450-R453 PolarHBondContact O-N 2.81Å; F450-K454 HydrophobicContact CD1-CG 4.32Å; F450-K454 HydrophobicContact CE1-CG 4.03Å; F450-K454 HydrophobicContact CZ-CG 4.39Å; F450-K454 WeakPolarHBondContact O-CG 3.27Å; F450-K454 PolarHBondContact O-N 3.05Å
451	I	52.9	Low	52	Low	139 Å²	139	62.6 Å²	62.6	71%	0.713	32%	0.324	S	S	*	.	H	α-helix	trans	-66.2	-42.8	176.7	-61.3	174.2	0	0	0	111.4	L449 R453 K454 F455	L449-I451 PolarHBondContact O-N 2.64Å; I451-R453 VanDerWaalsContact C-N 3.35Å; I451-R453 PolarHBondContact O-N 3.01Å; I451-K454 PolarHBondContact O-N 2.64Å; I451-F455 WeakPolarHBondContact O-CB 3.47Å; I451-F455 PolarHBondContact O-N 2.04Å
452	Q	50.5	Low	51.3	Low	32 Å²	32	63.6 Å²	63.6	15%	0.15	33%	0.33	C	S	.	.	H	α-helix	trans	-64.5	-38.1	175.9	-68.1	162.3	-30	0	0	111.4	C448 L449 F455 L456 K480 M481	C448-Q452 HydrophobicContact CB-CB 4.14Å; L449-Q452 HydrophobicContact CB-CG 4.4Å; L449-Q452 WeakPolarHBondContact O-CA 3.06Å; L449-Q452 WeakPolarHBondContact O-CB 3.26Å; L449-Q452 PolarHBondContact O-N 3.15Å; Q452-F455 PolarHBondContact O-N 2.94Å; Q452-L456 PolarHBondContact O-N 2.76Å; Q452-K480 PolarHBondContact NE2-O 3.18Å; Q452-M481 HydrophobicContact CB-CE 4.23Å
453	R	53.1	Low	50.8	Low	49 Å²	49	73.1 Å²	73.1	19%	0.185	37%	0.37	C	S	.	.	H	α-helix	trans	-61.7	-47.9	173.1	-61.6	-173.5	-163.7	-170.3	1.1	111.7	S445 T446 C448 L449 F450 I451 F455 L456 Q457	S445-R453 PolarHBondContact O-NE 3.33Å; S445-R453 PolarHBondContact O-NH2 3.41Å; T446-R453 PolarHBondContact O-NH2 3.34Å; C448-R453 HydrophobicContact CB-CG 3.55Å; C448-R453 PolarHBondContact O-NE 2.72Å; L449-R453 PolarHBondContact O-N 3.32Å; F450-R453 PolarHBondContact O-N 2.81Å; I451-R453 VanDerWaalsContact C-N 3.35Å; I451-R453 PolarHBondContact O-N 3.01Å; R453-F455 VanDerWaalsContact C-N 3.29Å; R453-F455 PolarHBondContact O-N 2.94Å; R453-L456 PolarHBondContact O-N 2.9Å; R453-Q457 WeakPolarHBondContact O-CG 3.5Å; R453-Q457 PolarHBondContact O-N 3.01Å
454	K	52.8	Low	50	Low	78 Å²	78	83 Å²	83	34%	0.339	40%	0.404	S	S	.	.	H	α-helix	trans	-60.4	-38.1	175.2	-72.6	-74.2	-174.9	-175.2	0	111.6	F450 I451 Q457 A458	F450-K454 HydrophobicContact CD1-CG 4.32Å; F450-K454 HydrophobicContact CE1-CG 4.03Å; F450-K454 HydrophobicContact CZ-CG 4.39Å; F450-K454 WeakPolarHBondContact O-CG 3.27Å; F450-K454 PolarHBondContact O-N 3.05Å; I451-K454 PolarHBondContact O-N 2.64Å; K454-Q457 PolarHBondContact O-N 3.35Å; K454-A458 WeakPolarHBondContact O-CB 3.33Å; K454-A458 PolarHBondContact O-N 3.06Å
455	F	56.6	Low	49.7	Very low	115 Å²	115	84.2 Å²	84.2	50%	0.504	41%	0.406	S	S	.	.	H	α-helix	trans	-66.8	-44.2	177.3	-162.1	-108	0	0	0	112.5	I451 Q452 R453 Q457 A458 L459 L477	I451-F455 WeakPolarHBondContact O-CB 3.47Å; I451-F455 PolarHBondContact O-N 2.04Å; Q452-F455 PolarHBondContact O-N 2.94Å; R453-F455 VanDerWaalsContact C-N 3.29Å; R453-F455 PolarHBondContact O-N 2.94Å; F455-Q457 VanDerWaalsContact C-N 3.35Å; F455-Q457 PolarHBondContact O-N 3.29Å; F455-A458 PolarHBondContact O-N 3.4Å; F455-L459 HydrophobicContact CD1-CD1 3.8Å; F455-L459 HydrophobicContact CD1-CG 4.44Å; F455-L459 HydrophobicContact CE1-CD1 3.74Å; F455-L459 HydrophobicContact CE1-CG 4.36Å; F455-L459 WeakPolarHBondContact O-CG 3.26Å; F455-L459 PolarHBondContact O-N 2.9Å; F455-L477 HydrophobicContact CD1-CD2 4.11Å; F455-L477 HydrophobicContact CE1-CD2 3.88Å
456	L	51.7	Low	49.1	Very low	69 Å²	69	86.9 Å²	86.9	36%	0.361	42%	0.424	S	S	.	.	H	α-helix	trans	-59.6	-42.7	172	-76.8	173.7	0	0	0	112.6	Q452 R453 A458 L459 S460 M481	Q452-L456 PolarHBondContact O-N 2.76Å; R453-L456 PolarHBondContact O-N 2.9Å; L456-A458 VanDerWaalsContact C-N 3.33Å; L456-L459 PolarHBondContact O-N 3.21Å; L456-S460 PolarHBondContact O-N 3.19Å; L456-M481 HydrophobicContact CD1-CE 3.48Å; L456-M481 VanDerWaalsContact CD1-CE 3.48Å; L456-M481 HydrophobicContact CD2-CE 3.78Å; L456-M481 HydrophobicContact CD2-SD 3.82Å; L456-M481 HydrophobicContact CG-CE 3.53Å; L456-M481 HydrophobicContact CG-SD 4.05Å
457	Q	51.1	Low	48.6	Very low	50 Å²	50	91.1 Å²	91.1	23%	0.234	45%	0.45	C	S	.	.	H	α-helix	trans	-65.7	-34.8	176.4	-72.2	175.3	-16.5	0	0	112.2	R453 K454 F455 S460 R461	R453-Q457 WeakPolarHBondContact O-CG 3.5Å; R453-Q457 PolarHBondContact O-N 3.01Å; K454-Q457 PolarHBondContact O-N 3.35Å; F455-Q457 VanDerWaalsContact C-N 3.35Å; F455-Q457 PolarHBondContact O-N 3.29Å; Q457-S460 PolarHBondContact O-OG 3.15Å; Q457-S460 VanDerWaalsContact O-OG 3.12Å; Q457-R461 WeakPolarHBondContact O-CG 3.44Å; Q457-R461 PolarHBondContact O-N 3.39Å
458	A	53.9	Low	48.2	Very low	55 Å²	55	95.4 Å²	95.4	46%	0.455	48%	0.476	S	S	.	.	H	α-helix	trans	-67.9	-39.4	172.8	0	0	0	0	0	112	K454 F455 L456 N462	K454-A458 WeakPolarHBondContact O-CB 3.33Å; K454-A458 PolarHBondContact O-N 3.06Å; F455-A458 PolarHBondContact O-N 3.4Å; L456-A458 VanDerWaalsContact C-N 3.33Å; A458-N462 PolarHBondContact O-N 3.43Å
459	L	52.1	Low	48	Very low	43 Å²	43	96.5 Å²	96.5	23%	0.225	49%	0.489	C	S	.	.	H	α-helix	trans	-67.9	-39.8	176.7	-71	170	0	0	0	112.7	F455 L456 R461 N462 M465 L477	F455-L459 HydrophobicContact CD1-CD1 3.8Å; F455-L459 HydrophobicContact CD1-CG 4.44Å; F455-L459 HydrophobicContact CE1-CD1 3.74Å; F455-L459 HydrophobicContact CE1-CG 4.36Å; F455-L459 WeakPolarHBondContact O-CG 3.26Å; F455-L459 PolarHBondContact O-N 2.9Å; L456-L459 PolarHBondContact O-N 3.21Å; L459-R461 VanDerWaalsContact C-N 3.29Å; L459-R461 PolarHBondContact O-N 2.89Å; L459-N462 PolarHBondContact O-N 3.45Å; L459-M465 HydrophobicContact CD2-CE 3.87Å; L459-M465 HydrophobicContact CD2-SD 4.32Å; L459-L477 HydrophobicContact CD1-CD1 4.08Å; L459-L477 HydrophobicContact CD1-CD2 3.79Å
460	S	49.8	Very low	47.3	Very low	86 Å²	86	92.8 Å²	92.8	60%	0.601	47%	0.471	S	S	*	.	H	α-helix	trans	-67.3	-28.6	179.4	70.9	0	0	0	0	113.4	L456 Q457 N462	L456-S460 PolarHBondContact O-N 3.19Å; Q457-S460 PolarHBondContact O-OG 3.15Å; Q457-S460 VanDerWaalsContact O-OG 3.12Å; S460-N462 VanDerWaalsContact C-N 3.3Å
461	R	49.7	Very low	46.9	Very low	170 Å²	170	96.6 Å²	96.6	64%	0.642	49%	0.49	S	S	*	.	H	α-helix	trans	-68.8	-28.5	170.5	-71.2	171	173.2	-168	-1.2	112.3	E238 Q457 L459 K463	E238-R461 IonicContact OE1-CZ 2.69Å; E238-R461 IonicContact OE1-NE 3.17Å; E238-R461 PolarHBondContact OE1-NE 2.98Å; E238-R461 IonicContact OE1-NH2 3.19Å; E238-R461 PolarHBondContact OE1-NH2 3.45Å; E238-R461 IonicContact OE2-CZ 3.92Å; E238-R461 IonicContact OE2-NH2 2.83Å; E238-R461 PolarHBondContact OE2-NH2 3.43Å; Q457-R461 WeakPolarHBondContact O-CG 3.44Å; Q457-R461 PolarHBondContact O-N 3.39Å; L459-R461 VanDerWaalsContact C-N 3.29Å; L459-R461 PolarHBondContact O-N 2.89Å; R461-K463 PolarHBondContact O-N 3.44Å; R461-K463 VanDerWaalsContact O-N 3.15Å
462	N	44	Very low	46.3	Very low	101 Å²	101	95.5 Å²	95.5	54%	0.54	49%	0.485	S	S	.	.			trans	-91.9	71.5	-172.2	-139	-9.5	0	0	0	112	A458 L459 S460 R464	A458-N462 PolarHBondContact O-N 3.43Å; L459-N462 PolarHBondContact O-N 3.45Å; S460-N462 VanDerWaalsContact C-N 3.3Å; N462-R464 PolarHBondContact O-N 2.85Å
463	K	44.3	Very low	46.1	Very low	204 Å²	204	96 Å²	96	89%	0.887	49%	0.493	S	S	*	.			trans	-62.2	6.8	178.3	-72.8	-172.1	175.8	-178.2	0	115.5	R461	R461-K463 PolarHBondContact O-N 3.44Å; R461-K463 VanDerWaalsContact O-N 3.15Å
464	R	39.9	Very low	45.8	Very low	234 Å²	234	96.2 Å²	96.2	88%	0.883	50%	0.497	S	S	*	.			trans	-121.7	63.4	179.1	-66	-173.4	-177.4	-178.2	1.9	111.7	N462	N462-R464 PolarHBondContact O-N 2.85Å
465	M	42.7	Very low	45.4	Very low	88 Å²	88	98.5 Å²	98.5	43%	0.433	51%	0.509	S	S	.	.			trans	-95.6	127.2	156.6	-85.2	-175.5	-77.4	0	0	109.3	L459	L459-M465 HydrophobicContact CD2-CE 3.87Å; L459-M465 HydrophobicContact CD2-SD 4.32Å
466	S	39.8	Very low	44.9	Very low	86 Å²	86	98.8 Å²	98.8	60%	0.601	51%	0.512	S	S	*	.			trans	-70.7	153.5	171.1	59.3	0	0	0	0	110.4	V468 G469 C470	S466-V468 PolarHBondContact O-N 3.08Å; S466-V468 VanDerWaalsContact O-N 3.15Å; S466-G469 PolarHBondContact O-N 3.35Å; S466-C470 PolarHBondContact O-N 3.21Å; S466-C470 VanDerWaalsContact O-N 3.15Å
467	V	40	Very low	44.7	Very low	108 Å²	108	96.9 Å²	96.9	66%	0.655	50%	0.502	S	S	*	.	H	α-helix	trans	-54.2	-38.7	-174.7	-179.7	0	0	0	0	112.4	C470 M496	V467-C470 WeakPolarHBondContact O-CB 3.33Å; V467-C470 PolarHBondContact O-N 2.97Å; V467-M496 HydrophobicContact CG1-CE 4.02Å
468	V	39.8	Very low	44.4	Very low	118 Å²	118	100.1 Å²	100.1	72%	0.715	52%	0.517	S	S	*	.	H	α-helix	trans	-69.1	-37.5	178.8	-175.1	0	0	0	0	112.1	S466 C470	S466-V468 PolarHBondContact O-N 3.08Å; S466-V468 VanDerWaalsContact O-N 3.15Å; V468-C470 PolarHBondContact O-N 3.25Å
469	G	41.9	Very low	44.1	Very low	28 Å²	28	104.5 Å²	104.5	29%	0.289	53%	0.532	S	S	.	.	H	α-helix	trans	-68.9	-24.2	174.8	0	0	0	0	0	112.9	S466 S473	S466-G469 PolarHBondContact O-N 3.35Å; G469-S473 WeakPolarHBondContact O-CB 3.3Å; G469-S473 PolarHBondContact O-N 3.34Å; G469-S473 VanDerWaalsContact O-N 3.16Å; G469-S473 PolarHBondContact O-OG 3.45Å
470	C	36.4	Very low	43.7	Very low	28 Å²	28	109.3 Å²	109.3	19%	0.189	55%	0.551	C	S	.	*	H	α-helix	trans	-67.9	-42.1	-177.1	-158	0	0	0	0	112.3	S466 V467 V468 S473 I474	S466-C470 PolarHBondContact O-N 3.21Å; S466-C470 VanDerWaalsContact O-N 3.15Å; V467-C470 WeakPolarHBondContact O-CB 3.33Å; V467-C470 PolarHBondContact O-N 2.97Å; V468-C470 PolarHBondContact O-N 3.25Å; C470-S473 PolarHBondContact O-N 3.4Å; C470-I474 WeakPolarHBondContact O-CB 3.38Å; C470-I474 WeakPolarHBondContact O-CD1 3.49Å; C470-I474 WeakPolarHBondContact O-CG1 3.48Å; C470-I474 PolarHBondContact O-N 3.06Å
471	H	41.3	Very low	43.5	Very low	148 Å²	148	105.4 Å²	105.4	69%	0.685	52%	0.523	S	S	*	.	H	α-helix	trans	-68.4	-53.7	-177.1	-121.4	18.9	0	0	0	113	S473 I474 E475	H471-S473 PolarHBondContact O-N 2.8Å; H471-I474 PolarHBondContact O-N 3.05Å; H471-E475 PolarHBondContact O-N 3.28Å; H471-E475 VanDerWaalsContact O-N 3.15Å
472	N	40.7	Very low	43.2	Very low	115 Å²	115	101.4 Å²	101.4	62%	0.615	52%	0.521	S	S	*	.	H	α-helix	trans	-62.3	-31.3	177.2	-71	3.8	0	0	0	112.4	Q476	N472-Q476 PolarHBondContact O-N 3.27Å
473	S	45.7	Very low	43.4	Very low	44 Å²	44	100 Å²	100	31%	0.308	52%	0.517	S	S	.	.	H	α-helix	trans	-70.7	-38.5	172.9	-57.3	0	0	0	0	111.8	G469 C470 H471 Q476 L477	G469-S473 WeakPolarHBondContact O-CB 3.3Å; G469-S473 PolarHBondContact O-N 3.34Å; G469-S473 VanDerWaalsContact O-N 3.16Å; G469-S473 PolarHBondContact O-OG 3.45Å; C470-S473 PolarHBondContact O-N 3.4Å; H471-S473 PolarHBondContact O-N 2.8Å; S473-Q476 PolarHBondContact O-N 3.17Å; S473-L477 WeakPolarHBondContact O-CB 3.24Å; S473-L477 VanDerWaalsContact O-CD1 3.32Å; S473-L477 WeakPolarHBondContact O-CD1 3.4Å; S473-L477 WeakPolarHBondContact O-CG 3.4Å; S473-L477 PolarHBondContact O-N 3.06Å
474	I	46.9	Very low	43.2	Very low	52 Å²	52	90.7 Å²	90.7	27%	0.267	48%	0.478	S	S	.	.	H	α-helix	trans	-65.1	-43.1	-179.8	-77.3	165.7	0	0	0	111.6	C470 H471 L477 Q478	C470-I474 WeakPolarHBondContact O-CB 3.38Å; C470-I474 WeakPolarHBondContact O-CD1 3.49Å; C470-I474 WeakPolarHBondContact O-CG1 3.48Å; C470-I474 PolarHBondContact O-N 3.06Å; H471-I474 PolarHBondContact O-N 3.05Å; I474-L477 WeakPolarHBondContact O-CB 3.39Å; I474-L477 PolarHBondContact O-N 3.33Å; I474-Q478 WeakPolarHBondContact O-CG 3.34Å; I474-Q478 PolarHBondContact O-N 2.93Å
475	E	45	Very low	43.4	Very low	127 Å²	127	82.9 Å²	82.9	59%	0.593	45%	0.453	S	S	*	.	H	α-helix	trans	-65.2	-44.8	176	-74.5	-168.9	138.6	0	0	112.2	H471 L477 Q478 L479	H471-E475 PolarHBondContact O-N 3.28Å; H471-E475 VanDerWaalsContact O-N 3.15Å; E475-L477 VanDerWaalsContact C-N 3.29Å; E475-L477 PolarHBondContact O-N 3.17Å; E475-Q478 PolarHBondContact O-N 3.28Å; E475-L479 PolarHBondContact O-N 3.36Å; E475-L479 VanDerWaalsContact O-N 3.09Å
476	Q	46.2	Very low	43	Very low	121 Å²	121	84.3 Å²	84.3	57%	0.565	46%	0.463	S	S	*	.	H	α-helix	trans	-65.8	-31.4	174.5	-72.3	-157	14.5	0	0	112.9	N472 S473 K480	N472-Q476 PolarHBondContact O-N 3.27Å; S473-Q476 PolarHBondContact O-N 3.17Å; Q476-K480 WeakPolarHBondContact O-CB 3.47Å; Q476-K480 WeakPolarHBondContact O-CG 3.34Å; Q476-K480 PolarHBondContact O-N 3.49Å
477	L	47.1	Very low	42.6	Very low	29 Å²	29	87.9 Å²	87.9	15%	0.152	47%	0.468	C	S	.	.	H	α-helix	trans	-66.6	-50.5	172.1	-80.2	162	0	0	0	110.2	F455 L459 S473 I474 E475 L479 K480 M481	F455-L477 HydrophobicContact CD1-CD2 4.11Å; F455-L477 HydrophobicContact CE1-CD2 3.88Å; L459-L477 HydrophobicContact CD1-CD1 4.08Å; L459-L477 HydrophobicContact CD1-CD2 3.79Å; S473-L477 WeakPolarHBondContact O-CB 3.24Å; S473-L477 VanDerWaalsContact O-CD1 3.32Å; S473-L477 WeakPolarHBondContact O-CD1 3.4Å; S473-L477 WeakPolarHBondContact O-CG 3.4Å; S473-L477 PolarHBondContact O-N 3.06Å; I474-L477 WeakPolarHBondContact O-CB 3.39Å; I474-L477 PolarHBondContact O-N 3.33Å; E475-L477 VanDerWaalsContact C-N 3.29Å; E475-L477 PolarHBondContact O-N 3.17Å; L477-L479 VanDerWaalsContact C-N 3.29Å; L477-L479 PolarHBondContact O-N 3.05Å; L477-K480 CarbonylContact O-C 3.58Å; L477-K480 PolarHBondContact O-N 3.23Å; L477-K480 VanDerWaalsContact O-N 3.11Å; L477-M481 HydrophobicContact CD2-CG 4.08Å; L477-M481 HydrophobicContact CD2-SD 3.48Å; L477-M481 WeakPolarHBondContact CD2-SD 3.45Å; L477-M481 WeakPolarHBondContact O-CA 3.33Å; L477-M481 WeakPolarHBondContact O-CB 3.14Å; L477-M481 VanDerWaalsContact O-CG 3.24Å; L477-M481 WeakPolarHBondContact O-CG 3.36Å; L477-M481 PolarHBondContact O-N 3.26Å
478	Q	45.1	Very low	42	Very low	117 Å²	117	87.5 Å²	87.5	55%	0.547	47%	0.467	S	S	.	.	H	α-helix	trans	-56.1	-43.5	178.9	-75.9	179.5	-69.7	0	0	111.8	I474 E475 S482	I474-Q478 WeakPolarHBondContact O-CG 3.34Å; I474-Q478 PolarHBondContact O-N 2.93Å; E475-Q478 PolarHBondContact O-N 3.28Å; Q478-S482 PolarHBondContact O-N 3.4Å; Q478-S482 VanDerWaalsContact O-N 3.12Å
479	L	48.1	Very low	41.8	Very low	148 Å²	148	84.9 Å²	84.9	78%	0.775	46%	0.458	S	S	*	.	H	α-helix	trans	-66	-40.2	175.8	-77	162.9	0	0	0	113.3	E475 L477	E475-L479 PolarHBondContact O-N 3.36Å; E475-L479 VanDerWaalsContact O-N 3.09Å; L477-L479 VanDerWaalsContact C-N 3.29Å; L477-L479 PolarHBondContact O-N 3.05Å
480	K	43.8	Very low	41.2	Very low	144 Å²	144	94 Å²	94	63%	0.626	49%	0.485	S	S	*	.	H	α-helix	trans	-86.9	-8	179.6	-71.3	177	177.7	168	0	114.6	Q452 Q476 L477	Q452-K480 PolarHBondContact NE2-O 3.18Å; Q476-K480 WeakPolarHBondContact O-CB 3.47Å; Q476-K480 WeakPolarHBondContact O-CG 3.34Å; Q476-K480 PolarHBondContact O-N 3.49Å; L477-K480 CarbonylContact O-C 3.58Å; L477-K480 PolarHBondContact O-N 3.23Å; L477-K480 VanDerWaalsContact O-N 3.11Å
481	M	44.2	Very low	41	Very low	4 Å²	4	99.7 Å²	99.7	2%	0.02	51%	0.507	C	S	.	.			trans	-129	18.1	-172.7	-58.7	-155	60	0	0	113.6	Q452 L456 L477 P483 C484 I485	Q452-M481 HydrophobicContact CB-CE 4.23Å; L456-M481 HydrophobicContact CD1-CE 3.48Å; L456-M481 VanDerWaalsContact CD1-CE 3.48Å; L456-M481 HydrophobicContact CD2-CE 3.78Å; L456-M481 HydrophobicContact CD2-SD 3.82Å; L456-M481 HydrophobicContact CG-CE 3.53Å; L456-M481 HydrophobicContact CG-SD 4.05Å; L477-M481 HydrophobicContact CD2-CG 4.08Å; L477-M481 HydrophobicContact CD2-SD 3.48Å; L477-M481 WeakPolarHBondContact CD2-SD 3.45Å; L477-M481 WeakPolarHBondContact O-CA 3.33Å; L477-M481 WeakPolarHBondContact O-CB 3.14Å; L477-M481 VanDerWaalsContact O-CG 3.24Å; L477-M481 WeakPolarHBondContact O-CG 3.36Å; L477-M481 PolarHBondContact O-N 3.26Å; M481-P483 VanDerWaalsContact C-N 3.26Å; M481-P483 VanDerWaalsContact O-N 3.08Å; M481-C484 HydrophobicContact CB-CB 4.19Å; M481-C484 HydrophobicContact CE-CB 3.56Å; M481-C484 WeakPolarHBondContact CE-SG 3.25Å; M481-C484 WeakPolarHBondContact O-CA 3.4Å; M481-C484 VanDerWaalsContact O-CB 3.31Å; M481-C484 WeakPolarHBondContact O-CB 3.23Å; M481-C484 PolarHBondContact O-N 2.91Å; M481-I485 HydrophobicContact CB-CD1 4.04Å; M481-I485 HydrophobicContact CB-CG1 4.31Å
482	S	45.1	Very low	40.4	Very low	86 Å²	86	99.5 Å²	99.5	60%	0.601	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-45.8	-37.9	178.3	174.3	0	0	0	0	115.3	Q478 C484	Q478-S482 PolarHBondContact O-N 3.4Å; Q478-S482 VanDerWaalsContact O-N 3.12Å; S482-C484 VanDerWaalsContact C-N 3.31Å; S482-C484 PolarHBondContact O-N 3.21Å
483	P	47.6	Very low	39.8	Very low	71 Å²	71	98.6 Å²	98.6	46%	0.461	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-71.8	-18.8	175.7	-18.4	32.8	0	0	0	115.2	M481	M481-P483 VanDerWaalsContact C-N 3.26Å; M481-P483 VanDerWaalsContact O-N 3.08Å
484	C	40.5	Very low	39	Very low	9 Å²	9	98.9 Å²	98.9	6%	0.061	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-95.7	-17.2	-170.3	-68.5	0	0	0	0	114.6	P444 C448 M481 S482	P444-C484 WeakPolarHBondContact CB-O 3.24Å; C448-C484 WeakPolarHBondContact CA-SG 3.28Å; C448-C484 HydrophobicContact CB-CB 4.46Å; C448-C484 WeakPolarHBondContact CB-SG 3.38Å; C448-C484 WeakPolarHBondContact SG-CB 3.44Å; C448-C484 CovalentContact SG-SG 2.03Å; C448-C484 PolarHBondContact SG-SG 2.92Å; M481-C484 HydrophobicContact CB-CB 4.19Å; M481-C484 HydrophobicContact CE-CB 3.56Å; M481-C484 WeakPolarHBondContact CE-SG 3.25Å; M481-C484 WeakPolarHBondContact O-CA 3.4Å; M481-C484 VanDerWaalsContact O-CB 3.31Å; M481-C484 WeakPolarHBondContact O-CB 3.23Å; M481-C484 PolarHBondContact O-N 2.91Å; S482-C484 VanDerWaalsContact C-N 3.31Å; S482-C484 PolarHBondContact O-N 3.21Å
485	I	43	Very low	38	Very low	69 Å²	69	102.3 Å²	102.3	35%	0.354	55%	0.551	S	S	.	*			trans	-122.8	69.9	-167.9	-47.5	179.8	0	0	0	110	M481	M481-I485 HydrophobicContact CB-CD1 4.04Å; M481-I485 HydrophobicContact CB-CG1 4.31Å
486	N	35	Very low	37.2	Very low	119 Å²	119	103.6 Å²	103.6	64%	0.636	56%	0.559	S	S	*	*			trans	-106.7	51	164	-91.3	-20.8	0	0	0	111
487	F	31.1	Very low	36.3	Very low	161 Å²	161	107.2 Å²	107.2	71%	0.706	57%	0.573	S	S	*	*	S	Bend	trans	-153.1	145.6	159	-133.5	-98.9	0	0	0	107.7	A489	F487-A489 PolarHBondContact O-N 3.49Å
488	P	28.4	Very low	35.2	Very low	100 Å²	100	117.5 Å²	117.5	65%	0.649	61%	0.609	S	S	*	*			trans	-61.3	114	176.4	-16.6	29.1	0	0	0	108.5	Y490	P488-Y490 PolarHBondContact O-N 3.26Å
489	A	35.1	Very low	34.3	Very low	62 Å²	62	118.3 Å²	118.3	51%	0.512	62%	0.622	S	S	.	*			trans	-67.3	106.8	-176.4	0	0	0	0	0	109.1	F487 F491	F487-A489 PolarHBondContact O-N 3.49Å; A489-F491 HydrophobicContact CB-CD2 3.71Å; A489-F491 HydrophobicContact CB-CE2 4.07Å; A489-F491 PolarHBondContact O-N 2.96Å
490	Y	28.3	Very low	33.3	Very low	220 Å²	220	117.6 Å²	117.6	86%	0.863	61%	0.614	S	S	*	*			trans	-69.3	60.9	165.6	-89.1	-90.3	0	0	0	110.2	P488 N492	P488-Y490 PolarHBondContact O-N 3.26Å; Y490-N492 PolarHBondContact O-N 3.35Å
491	F	33	Very low	32.5	Very low	147 Å²	147	116.8 Å²	116.8	65%	0.645	63%	0.627	S	S	*	*			trans	-68.3	87.2	154	-81.5	-74.5	0	0	0	107.1	A489 C493	A489-F491 HydrophobicContact CB-CD2 3.71Å; A489-F491 HydrophobicContact CB-CE2 4.07Å; A489-F491 PolarHBondContact O-N 2.96Å; F491-C493 PolarHBondContact O-N 2.86Å
492	N	28.2	Very low	31.7	Very low	145 Å²	145	124 Å²	124	78%	0.775	66%	0.658	S	S	*	*			trans	-71.8	79.5	173.7	-166.4	4.6	0	0	0	109	Y490 G494	Y490-N492 PolarHBondContact O-N 3.35Å; N492-G494 PolarHBondContact O-N 2.81Å
493	C	29.3	Very low	30.9	Very low	96 Å²	96	124.9 Å²	124.9	65%	0.649	67%	0.665	S	S	*	*			trans	-67.2	67.2	164.4	-71	0	0	0	0	109.3	F491	F491-C493 PolarHBondContact O-N 2.86Å
494	G	26.9	Very low	30.1	Very low	49 Å²	49	129.8 Å²	129.8	51%	0.505	69%	0.685	S	S	.	*			trans	-60	142.9	179.9	0	0	0	0	0	111.1	N492	N492-G494 PolarHBondContact O-N 2.81Å
495	S	27	Very low	29.6	Very low	124 Å²	124	137.3 Å²	137.3	87%	0.867	73%	0.725	S	S	*	*			trans	80.6	58.1	-179.7	75.5	0	0	0	0	118.1
496	M	29.1	Very low	29	Very low	155 Å²	155	138.1 Å²	138.1	76%	0.764	74%	0.742	S	S	*	*			trans	-118	127.7	140.6	-74.4	-166.9	175	0	0	110.5	V467	V467-M496 HydrophobicContact CG1-CE 4.02Å
497	K	26	Very low	28.8	Very low	197 Å²	197	141.7 Å²	141.7	86%	0.857	76%	0.755	S	S	*	*			trans	-58.8	145.3	168.1	-74.1	179.9	175.6	178.7	0	108.4	V499	K497-V499 VanDerWaalsContact C-N 3.32Å; K497-V499 PolarHBondContact O-N 3.05Å
498	R	23.5	Very low	28.9	Very low	245 Å²	245	142.2 Å²	142.2	93%	0.925	76%	0.764	S	S	*	*			trans	-58.3	93.5	169.1	-179.9	-172.9	-77.8	-179.6	-6.5	108.9
499	V	27.6	Very low	29	Very low	133 Å²	133	145 Å²	145	81%	0.806	77%	0.774	S	S	*	*			trans	-73.4	130.1	163.1	179.2	0	0	0	0	106.4	K497	K497-V499 VanDerWaalsContact C-N 3.32Å; K497-V499 PolarHBondContact O-N 3.05Å
500	E	26.5	Very low	28.9	Very low	133 Å²	133	149.7 Å²	149.7	62%	0.621	79%	0.79	S	S	*	*			trans	-60.1	143.1	-173.4	-60.4	-176.3	146	0	0	112	K502	E500-K502 PolarHBondContact O-N 2.99Å; E500-K502 IonicContact OE2-NZ 2.78Å; E500-K502 PolarHBondContact OE2-NZ 3.22Å
501	S	26.7	Very low	29	Very low	127 Å²	127	149.3 Å²	149.3	89%	0.888	79%	0.792	S	S	*	*			trans	-67.2	92.4	170.9	53.6	0	0	0	0	110.7
502	K	27.2	Very low	29	Very low	155 Å²	155	151.1 Å²	151.1	67%	0.674	80%	0.8	S	S	*	*			trans	-121.1	132.2	165.6	-74.9	174.5	176.3	144.9	0	109.3	E500	E500-K502 PolarHBondContact O-N 2.99Å; E500-K502 IonicContact OE2-NZ 2.78Å; E500-K502 PolarHBondContact OE2-NZ 3.22Å
503	S	28.1	Very low	29.2	Very low	106 Å²	106	151.4 Å²	151.4	74%	0.741	80%	0.802	S	S	*	*			trans	59.8	72.2	175.3	64.8	0	0	0	0	119.2
504	I	31	Very low	29.4	Very low	173 Å²	173	162.7 Å²	162.7	89%	0.887	83%	0.831	S	S	*	*	S	Bend	trans	-122.3	67	141.4	-53.4	-179.5	0	0	0	107.8
505	N	31	Very low	29.5	Very low	168 Å²	168	168.4 Å²	168.4	90%	0.898	85%	0.847	S	S	*	*	S	Bend	trans	-156.2	23.7	175.9	-122.6	-4.9	0	0	0	113
506	A	30.3	Very low	29.6	Very low	86 Å²	86	170.7 Å²	170.7	71%	0.711	85%	0.846	S	S	*	*	S	Bend	trans	-129.9	10.5	-167.1	0	0	0	0	0	115.5
507	Q	31.2	Very low	29.7	Very low	194 Å²	194	171.6 Å²	171.6	91%	0.907	85%	0.851	S	S	*	*	S	Bend	trans	-130.4	13.7	-176.7	-85	-171	-31.2	0	0	115.9
508	L	33	Very low	29.9	Very low	172 Å²	172	170.1 Å²	170.1	90%	0.901	85%	0.851	S	S	*	*	S	Bend	trans	-102.7	-3	172.2	-77.5	169.2	0	0	0	114.7
509	N	30.9	Very low	30.3	Very low	159 Å²	159	165.4 Å²	165.4	85%	0.85	85%	0.846	S	S	*	*			trans	-111.8	75.3	174.8	-80.7	-17.9	0	0	0	111.4
510	N	31.3	Very low	30.5	Very low	159 Å²	159	167.6 Å²	167.6	85%	0.85	85%	0.849	S	S	*	*			trans	-162.5	75.1	153.1	-106.2	-14.9	0	0	0	111.9
511	K	32.1	Very low	30.7	Very low	212 Å²	212	170.1 Å²	170.1	92%	0.922	87%	0.865	S	S	*	*			trans	-137.7	76	158.2	-87.7	-163.8	173.7	-173.8	0	110.3
512	K	31.5	Very low	31	Very low	186 Å²	186	173.4 Å²	173.4	81%	0.809	86%	0.863	S	S	*	*			trans	-145.8	141.1	154.8	-84.7	-167.9	173.4	-179.3	0	107.8
513	N	33.2	Very low	31.4	Very low	151 Å²	151	174.9 Å²	174.9	81%	0.807	88%	0.879	S	S	*	*			trans	68.3	98.8	-173.7	-41.7	-11.3	0	0	0	110.9
514	W	32.8	Very low	31.7	Very low	333 Å²	333	181.2 Å²	181.2	100%	1.261	89%	0.891	S	S	*	*			cis	-133.6	0	47.9	-83.6	67.5	0	0	0	113.1

Retrieved 514 of 514 residues in 342 ms (Link to these results)

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