A0A3Q0KQU4_SCHMA Loading...

Thioredoxin domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQU4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 538 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	47.1	Very low	51.8	Low	209 Å²	209	134.1 Å²	134.1	100%	1.03	66%	0.658	S	S	*	*				0	-38.3	0	-105.8	163.9	81	0	0	114.9	I3	M1-I3 PolarHBondContact O-N 2.93Å
2	Y	43.4	Very low	52.6	Low	195 Å²	195	132.6 Å²	132.6	77%	0.765	65%	0.654	S	S	*	*	H	α-helix	trans	-68.3	-30.7	-174.8	-131.1	-96.2	0	0	0	115.1	K6	Y2-K6 PolarHBondContact O-N 3.43Å
3	I	47.5	Very low	53.5	Low	141 Å²	141	127.9 Å²	127.9	72%	0.723	63%	0.632	S	S	*	*	H	α-helix	trans	-72	-36.6	-179.5	-61.7	172	0	0	0	111.7	M1 K6 L7	M1-I3 PolarHBondContact O-N 2.93Å; I3-K6 PolarHBondContact O-N 2.87Å; I3-L7 PolarHBondContact O-N 3.32Å; I3-L7 VanDerWaalsContact O-N 3.12Å
4	S	48	Very low	54.2	Low	94 Å²	94	125.9 Å²	125.9	66%	0.657	62%	0.623	S	S	*	*	H	α-helix	trans	-67.5	-37.9	179.3	171.5	0	0	0	0	112.5	L7 G8	S4-L7 PolarHBondContact O-N 3.38Å; S4-G8 PolarHBondContact O-N 2.93Å; S4-G8 VanDerWaalsContact O-N 3.13Å
5	K	48.8	Very low	54.8	Low	166 Å²	166	124.6 Å²	124.6	72%	0.722	62%	0.618	S	S	*	*	H	α-helix	trans	-65.7	-38.3	174.5	-77.3	-170.7	174.9	-175	0	112.8	F9	K5-F9 PolarHBondContact O-N 3.4Å; K5-F9 VanDerWaalsContact O-N 3.13Å
6	K	53.2	Low	54.5	Low	152 Å²	152	123.4 Å²	123.4	66%	0.661	61%	0.614	S	S	*	*	H	α-helix	trans	-66.2	-38.5	175.4	-86.2	-171	174.2	-174.9	0	112.3	Y2 I3 F9 L10	Y2-K6 PolarHBondContact O-N 3.43Å; I3-K6 PolarHBondContact O-N 2.87Å; K6-F9 PolarHBondContact O-N 3.33Å; K6-L10 WeakPolarHBondContact O-CB 3.42Å; K6-L10 PolarHBondContact O-N 2.86Å
7	L	52.2	Low	53.8	Low	110 Å²	110	121.8 Å²	121.8	58%	0.576	61%	0.607	S	S	*	*	H	α-helix	trans	-65.7	-42.6	178.2	-131.8	82.4	0	0	0	112	I3 S4 L10 Q11	I3-L7 PolarHBondContact O-N 3.32Å; I3-L7 VanDerWaalsContact O-N 3.12Å; S4-L7 PolarHBondContact O-N 3.38Å; L7-L10 PolarHBondContact O-N 3.38Å; L7-Q11 PolarHBondContact O-N 3.13Å
8	G	56.6	Low	53.6	Low	33 Å²	33	118.3 Å²	118.3	34%	0.34	60%	0.597	S	S	.	*	H	α-helix	trans	-63.9	-39.8	175.9	0	0	0	0	0	112.7	S4 Q11 L12	S4-G8 PolarHBondContact O-N 2.93Å; S4-G8 VanDerWaalsContact O-N 3.13Å; G8-Q11 PolarHBondContact O-N 3.31Å; G8-L12 PolarHBondContact O-N 2.94Å
9	F	60	Low	53.4	Low	148 Å²	148	116.5 Å²	116.5	65%	0.649	59%	0.592	S	S	*	*	H	α-helix	trans	-68	-37.5	176.3	-149.4	-97.8	0	0	0	112.2	K5 K6 L12 I13	K5-F9 PolarHBondContact O-N 3.4Å; K5-F9 VanDerWaalsContact O-N 3.13Å; K6-F9 PolarHBondContact O-N 3.33Å; F9-L12 PolarHBondContact O-N 2.74Å; F9-I13 HydrophobicContact CD1-CD1 3.57Å; F9-I13 HydrophobicContact CD1-CG1 4.22Å; F9-I13 HydrophobicContact CE1-CD1 3.76Å; F9-I13 HydrophobicContact CE1-CG1 4.33Å; F9-I13 WeakPolarHBondContact O-CG1 3.34Å; F9-I13 PolarHBondContact O-N 2.93Å
10	L	55	Low	52.7	Low	103 Å²	103	115.2 Å²	115.2	54%	0.539	59%	0.586	S	S	.	*	H	α-helix	trans	-66.1	-41.9	175.9	-161.2	79.8	0	0	0	111.7	K6 L7 I13 I14	K6-L10 WeakPolarHBondContact O-CB 3.42Å; K6-L10 PolarHBondContact O-N 2.86Å; L7-L10 PolarHBondContact O-N 3.38Å; L10-I13 PolarHBondContact O-N 3.26Å; L10-I14 HydrophobicContact CD2-CD1 4.47Å; L10-I14 HydrophobicContact CG-CD1 4.22Å; L10-I14 WeakPolarHBondContact O-CD1 3.37Å; L10-I14 WeakPolarHBondContact O-CG1 3.27Å; L10-I14 PolarHBondContact O-N 2.83Å
11	Q	58.3	Low	52.1	Low	124 Å²	124	117.2 Å²	117.2	58%	0.579	59%	0.591	S	S	*	*	H	α-helix	trans	-62	-42.3	173.5	-84.8	-179.9	-30.5	0	0	112.1	L7 G8 I13 I14 I15	L7-Q11 PolarHBondContact O-N 3.13Å; G8-Q11 PolarHBondContact O-N 3.31Å; Q11-I13 PolarHBondContact O-N 3.03Å; Q11-I14 PolarHBondContact O-N 3.23Å; Q11-I15 VanDerWaalsContact O-CG1 3.3Å; Q11-I15 WeakPolarHBondContact O-CG1 3.47Å; Q11-I15 PolarHBondContact O-N 2.78Å
12	L	60.8	Low	52	Low	116 Å²	116	109.9 Å²	109.9	61%	0.607	55%	0.553	S	S	*	*	H	α-helix	trans	-63.7	-40.7	177.1	-123.4	142.1	0	0	0	111.8	G8 F9 I15 L16	G8-L12 PolarHBondContact O-N 2.94Å; F9-L12 PolarHBondContact O-N 2.74Å; L12-I15 PolarHBondContact O-N 3.37Å; L12-L16 WeakPolarHBondContact O-CB 3.35Å; L12-L16 PolarHBondContact O-N 2.79Å
13	I	64.6	Low	52	Low	72 Å²	72	103.3 Å²	103.3	37%	0.369	54%	0.536	S	S	.	.	H	α-helix	trans	-65.5	-40.5	173.8	-71.6	168.8	0	0	0	111.1	F9 L10 Q11 L16 L17	F9-I13 HydrophobicContact CD1-CD1 3.57Å; F9-I13 HydrophobicContact CD1-CG1 4.22Å; F9-I13 HydrophobicContact CE1-CD1 3.76Å; F9-I13 HydrophobicContact CE1-CG1 4.33Å; F9-I13 WeakPolarHBondContact O-CG1 3.34Å; F9-I13 PolarHBondContact O-N 2.93Å; L10-I13 PolarHBondContact O-N 3.26Å; Q11-I13 PolarHBondContact O-N 3.03Å; I13-L16 PolarHBondContact O-N 2.88Å; I13-L17 HydrophobicContact CG2-CD1 3.56Å; I13-L17 HydrophobicContact CG2-CG 4.09Å; I13-L17 WeakPolarHBondContact O-CB 3.35Å; I13-L17 VanDerWaalsContact O-CG 3.24Å; I13-L17 WeakPolarHBondContact O-CG 3.43Å; I13-L17 PolarHBondContact O-N 3.15Å
14	I	63	Low	51.5	Low	99 Å²	99	100.2 Å²	100.2	51%	0.508	52%	0.524	S	S	.	.	H	α-helix	trans	-64.6	-41.5	177.5	-69.9	163.6	0	0	0	110.7	L10 Q11 L17 S18	L10-I14 HydrophobicContact CD2-CD1 4.47Å; L10-I14 HydrophobicContact CG-CD1 4.22Å; L10-I14 WeakPolarHBondContact O-CD1 3.37Å; L10-I14 WeakPolarHBondContact O-CG1 3.27Å; L10-I14 PolarHBondContact O-N 2.83Å; Q11-I14 PolarHBondContact O-N 3.23Å; I14-L17 PolarHBondContact O-N 3.01Å; I14-S18 WeakPolarHBondContact O-CB 3.42Å; I14-S18 PolarHBondContact O-N 2.98Å; I14-S18 PolarHBondContact O-OG 2.65Å
15	I	62.9	Low	51.1	Low	107 Å²	107	97.1 Å²	97.1	55%	0.549	51%	0.507	S	S	.	.	H	α-helix	trans	-66.3	-42.2	174.6	-65.5	165.1	0	0	0	110.5	Q11 L12 L17 S18 V19	Q11-I15 VanDerWaalsContact O-CG1 3.3Å; Q11-I15 WeakPolarHBondContact O-CG1 3.47Å; Q11-I15 PolarHBondContact O-N 2.78Å; L12-I15 PolarHBondContact O-N 3.37Å; I15-L17 VanDerWaalsContact C-N 3.35Å; I15-L17 PolarHBondContact O-N 3.21Å; I15-S18 WeakPolarHBondContact CA-OG 3.17Å; I15-S18 PolarHBondContact O-N 3.23Å; I15-S18 PolarHBondContact O-OG 3.25Å; I15-V19 HydrophobicContact CG2-CG2 4.48Å; I15-V19 WeakPolarHBondContact O-CB 3.48Å; I15-V19 WeakPolarHBondContact O-CG2 3.32Å; I15-V19 PolarHBondContact O-N 3Å
16	L	50.8	Low	50.6	Low	106 Å²	106	93.2 Å²	93.2	56%	0.555	49%	0.49	S	S	*	.	H	α-helix	trans	-66.4	-39	178	-151.4	90.7	0	0	0	111.5	L12 I13 V19 L20	L12-L16 WeakPolarHBondContact O-CB 3.35Å; L12-L16 PolarHBondContact O-N 2.79Å; I13-L16 PolarHBondContact O-N 2.88Å; L16-V19 PolarHBondContact O-N 2.96Å; L16-L20 HydrophobicContact CG-CD1 4.49Å; L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 PolarHBondContact O-N 3.31Å
17	L	43.3	Very low	49.6	Very low	95 Å²	95	92 Å²	92	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-72.9	-31.7	176.1	-75.9	171	0	0	0	112.2	I13 I14 I15 K21	I13-L17 HydrophobicContact CG2-CD1 3.56Å; I13-L17 HydrophobicContact CG2-CG 4.09Å; I13-L17 WeakPolarHBondContact O-CB 3.35Å; I13-L17 VanDerWaalsContact O-CG 3.24Å; I13-L17 WeakPolarHBondContact O-CG 3.43Å; I13-L17 PolarHBondContact O-N 3.15Å; I14-L17 PolarHBondContact O-N 3.01Å; I15-L17 VanDerWaalsContact C-N 3.35Å; I15-L17 PolarHBondContact O-N 3.21Å; L17-K21 WeakPolarHBondContact O-CB 3.32Å; L17-K21 VanDerWaalsContact O-CG 3.31Å; L17-K21 WeakPolarHBondContact O-CG 3.13Å; L17-K21 PolarHBondContact O-N 3.34Å
18	S	49.1	Very low	48.8	Very low	60 Å²	60	96.4 Å²	96.4	42%	0.42	50%	0.497	S	S	.	.	H	α-helix	trans	-69.4	-41.5	171.2	66.4	0	0	0	0	110	I14 I15 K21 F22	I14-S18 WeakPolarHBondContact O-CB 3.42Å; I14-S18 PolarHBondContact O-N 2.98Å; I14-S18 PolarHBondContact O-OG 2.65Å; I15-S18 WeakPolarHBondContact CA-OG 3.17Å; I15-S18 PolarHBondContact O-N 3.23Å; I15-S18 PolarHBondContact O-OG 3.25Å; S18-K21 PolarHBondContact O-N 3.34Å; S18-F22 WeakPolarHBondContact O-CB 3.22Å; S18-F22 PolarHBondContact O-N 3.48Å
19	V	49.8	Very low	47.8	Very low	83 Å²	83	98.9 Å²	98.9	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-65.1	-37.7	172.9	174.5	0	0	0	0	112.1	I15 L16 F22 S23	I15-V19 HydrophobicContact CG2-CG2 4.48Å; I15-V19 WeakPolarHBondContact O-CB 3.48Å; I15-V19 WeakPolarHBondContact O-CG2 3.32Å; I15-V19 PolarHBondContact O-N 3Å; L16-V19 PolarHBondContact O-N 2.96Å; V19-F22 CarbonylContact O-C 3.52Å; V19-F22 WeakPolarHBondContact O-CB 3.5Å; V19-F22 PolarHBondContact O-N 3.35Å; V19-S23 PolarHBondContact O-N 2.88Å
20	L	40.4	Very low	46.9	Very low	90 Å²	90	97.6 Å²	97.6	47%	0.471	49%	0.493	S	S	.	.	H	α-helix	trans	-74.2	-38.3	175.2	-113.7	95	0	0	0	112.4	L16 F22 S23 T24	L16-L20 HydrophobicContact CG-CD1 4.49Å; L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 PolarHBondContact O-N 3.31Å; L20-F22 PolarHBondContact O-N 2.89Å; L20-S23 PolarHBondContact O-N 3.05Å; L20-S23 PolarHBondContact O-OG 3.13Å; L20-T24 VanDerWaalsContact O-CB 3.3Å; L20-T24 WeakPolarHBondContact O-CB 3.37Å; L20-T24 VanDerWaalsContact O-CG2 3.29Å; L20-T24 WeakPolarHBondContact O-CG2 3.42Å; L20-T24 PolarHBondContact O-N 3.31Å; L20-T24 PolarHBondContact O-OG1 3.15Å
21	K	40.2	Very low	46.4	Very low	159 Å²	159	99.4 Å²	99.4	69%	0.691	50%	0.502	S	S	*	.	H	α-helix	trans	-64.6	-33.5	170.2	-82.5	-175.9	175.4	-174.9	0	110.7	L17 S18 T24 G25	L17-K21 WeakPolarHBondContact O-CB 3.32Å; L17-K21 VanDerWaalsContact O-CG 3.31Å; L17-K21 WeakPolarHBondContact O-CG 3.13Å; L17-K21 PolarHBondContact O-N 3.34Å; S18-K21 PolarHBondContact O-N 3.34Å; K21-T24 WeakPolarHBondContact CA-OG1 3.25Å; K21-G25 WeakPolarHBondContact O-CA 3.38Å; K21-G25 PolarHBondContact O-N 3.44Å
22	F	45	Very low	45.8	Very low	54 Å²	54	99.1 Å²	99.1	24%	0.237	51%	0.505	C	S	.	.	H	α-helix	trans	-67	-49.4	172.4	-157.3	-95.4	0	0	0	109.9	S18 V19 L20 T24 G25 F26 T42 I46	S18-F22 WeakPolarHBondContact O-CB 3.22Å; S18-F22 PolarHBondContact O-N 3.48Å; V19-F22 CarbonylContact O-C 3.52Å; V19-F22 WeakPolarHBondContact O-CB 3.5Å; V19-F22 PolarHBondContact O-N 3.35Å; L20-F22 PolarHBondContact O-N 2.89Å; F22-T24 PolarHBondContact O-N 3Å; F22-G25 PolarHBondContact O-N 3.09Å; F22-F26 WeakPolarHBondContact O-CB 3.08Å; F22-F26 PolarHBondContact O-N 3.29Å; F22-T42 HydrophobicContact CE2-CG2 4.45Å; F22-I46 HydrophobicContact CE2-CG1 3.9Å; F22-I46 HydrophobicContact CZ-CB 4.37Å; F22-I46 HydrophobicContact CZ-CG1 3.45Å; F22-I46 VanDerWaalsContact CZ-CG1 3.45Å
23	S	42	Very low	45.7	Very low	57 Å²	57	96 Å²	96	40%	0.399	50%	0.496	S	S	.	.	H	α-helix	trans	-65.6	-37.3	177.3	80.7	0	0	0	0	113.3	V19 L20 M27	V19-S23 PolarHBondContact O-N 2.88Å; L20-S23 PolarHBondContact O-N 3.05Å; L20-S23 PolarHBondContact O-OG 3.13Å; S23-M27 WeakPolarHBondContact O-CB 3.44Å; S23-M27 WeakPolarHBondContact O-CG 3.5Å; S23-M27 PolarHBondContact O-N 2.8Å
24	T	37.7	Very low	46.3	Very low	76 Å²	76	96.2 Å²	96.2	47%	0.466	50%	0.5	S	S	.	.	H	α-helix	trans	-80.2	-32.2	179.4	54.8	0	0	0	0	112.8	L20 K21 F22 M27 R28	L20-T24 VanDerWaalsContact O-CB 3.3Å; L20-T24 WeakPolarHBondContact O-CB 3.37Å; L20-T24 VanDerWaalsContact O-CG2 3.29Å; L20-T24 WeakPolarHBondContact O-CG2 3.42Å; L20-T24 PolarHBondContact O-N 3.31Å; L20-T24 PolarHBondContact O-OG1 3.15Å; K21-T24 WeakPolarHBondContact CA-OG1 3.25Å; F22-T24 PolarHBondContact O-N 3Å; T24-M27 PolarHBondContact O-N 2.64Å; T24-R28 WeakPolarHBondContact O-CB 3.27Å; T24-R28 PolarHBondContact O-N 2.66Å
25	G	40.2	Very low	47.4	Very low	30 Å²	30	91.7 Å²	91.7	31%	0.309	48%	0.477	S	S	.	.	H	α-helix	trans	-64.5	-44.4	167.1	0	0	0	0	0	111.2	K21 F22 M27 R28 N29	K21-G25 WeakPolarHBondContact O-CA 3.38Å; K21-G25 PolarHBondContact O-N 3.44Å; F22-G25 PolarHBondContact O-N 3.09Å; G25-M27 PolarHBondContact O-N 2.53Å; G25-R28 PolarHBondContact O-N 3.19Å; G25-R28 VanDerWaalsContact O-N 3.09Å; G25-N29 PolarHBondContact O-N 3.28Å
26	F	37.7	Very low	48.7	Very low	84 Å²	84	89 Å²	89	37%	0.368	46%	0.462	S	S	.	.	H	α-helix	trans	-61	-31.5	172.5	-159.3	-98.9	0	0	0	112.3	F22	F22-F26 WeakPolarHBondContact O-CB 3.08Å; F22-F26 PolarHBondContact O-N 3.29Å
27	M	32.6	Very low	50.7	Low	125 Å²	125	89.5 Å²	89.5	62%	0.616	46%	0.462	S	S	*	.	H	α-helix	trans	-82	-28.9	173.3	-69	-78.2	-100	0	0	113.2	S23 T24 G25 R30	S23-M27 WeakPolarHBondContact O-CB 3.44Å; S23-M27 WeakPolarHBondContact O-CG 3.5Å; S23-M27 PolarHBondContact O-N 2.8Å; T24-M27 PolarHBondContact O-N 2.64Å; G25-M27 PolarHBondContact O-N 2.53Å; M27-R30 PolarHBondContact O-N 3.42Å
28	R	34	Very low	53	Low	203 Å²	203	85.5 Å²	85.5	77%	0.766	44%	0.442	S	S	*	.	H	α-helix	trans	-72.3	-32.4	-178.1	-118.9	-179.9	-177.7	178.2	0.2	112.9	T24 G25 R30	T24-R28 WeakPolarHBondContact O-CB 3.27Å; T24-R28 PolarHBondContact O-N 2.66Å; G25-R28 PolarHBondContact O-N 3.19Å; G25-R28 VanDerWaalsContact O-N 3.09Å; R28-R30 VanDerWaalsContact C-N 3.28Å; R28-R30 PolarHBondContact O-N 3.09Å
29	N	37.1	Very low	55	Low	85 Å²	85	86 Å²	86	46%	0.455	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-78.7	-5.1	176.7	-82.5	-16.7	0	0	0	114.1	G25 I31 E36	G25-N29 PolarHBondContact O-N 3.28Å; N29-I31 PolarHBondContact O-N 2.88Å; N29-E36 PolarHBondContact ND2-OE1 3.45Å
30	R	39.9	Very low	56.8	Low	121 Å²	121	83.7 Å²	83.7	46%	0.457	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-72.3	-8.1	174	-79.7	-171.5	169.1	-160.5	-6.4	115	M27 R28 D79	M27-R30 PolarHBondContact O-N 3.42Å; R28-R30 VanDerWaalsContact C-N 3.28Å; R28-R30 PolarHBondContact O-N 3.09Å; R30-D79 IonicContact CZ-OD1 3.14Å; R30-D79 IonicContact NE-OD1 3.08Å; R30-D79 IonicContact NH2-OD1 2.68Å; R30-D79 PolarHBondContact NH2-OD1 3.47Å
31	I	45.7	Very low	59	Low	142 Å²	142	84 Å²	84	73%	0.728	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-79.3	-34.4	-178.1	-58.9	175.5	0	0	0	111.6	N29	N29-I31 PolarHBondContact O-N 2.88Å
32	N	44.6	Very low	61.5	Low	118 Å²	118	78.4 Å²	78.4	63%	0.631	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	107.8	173.1	-71.3	-10.5	0	0	0	105.8	T34	N32-T34 PolarHBondContact O-N 3.45Å; N32-T34 PolarHBondContact O-OG1 3.16Å
33	A	58.3	Low	63.7	Low	50 Å²	50	75.8 Å²	75.8	41%	0.413	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	70.7	-170	0	0	0	0	0	111	Y76	A33-Y76 HydrophobicContact CB-CD1 4.26Å; A33-Y76 HydrophobicContact CB-CE1 3.22Å; A33-Y76 VanDerWaalsContact CB-CZ 3.49Å; A33-Y76 VanDerWaalsContact CB-OH 3.25Å; A33-Y76 WeakPolarHBondContact CB-OH 3.3Å; A33-Y76 WeakPolarHBondContact O-CE2 3.29Å; A33-Y76 PolarHBondContact O-OH 2.67Å
34	T	78.1	Confident	66.1	Low	76 Å²	76	75.7 Å²	75.7	47%	0.466	39%	0.385	S	S	.	.	S	Bend	trans	-128.8	134.9	-177.6	50.1	0	0	0	0	106.7	N32 E36 N72	N32-T34 PolarHBondContact O-N 3.45Å; N32-T34 PolarHBondContact O-OG1 3.16Å; T34-E36 PolarHBondContact O-N 3.39Å; T34-N72 VanDerWaalsContact CA-OD1 3.32Å; T34-N72 WeakPolarHBondContact CA-OD1 3.32Å
35	V	86.9	Confident	68.7	Low	4 Å²	4	77.1 Å²	77.1	2%	0.024	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-51.7	135.5	171.4	61	0	0	0	0	110.1	Y68 V71 N72 V87 T89	V35-Y68 HydrophobicContact CG1-CD2 4.39Å; V35-Y68 HydrophobicContact CG1-CE2 3.67Å; V35-V71 HydrophobicContact CG1-CG1 4.43Å; V35-V71 HydrophobicContact CG2-CG1 4.11Å; V35-N72 HydrophobicContact CG1-CB 4.14Å; V35-N72 PolarHBondContact N-OD1 2.82Å; V35-V87 HydrophobicContact CG2-CG1 4Å; V35-T89 HydrophobicContact CB-CG2 4.23Å; V35-T89 HydrophobicContact CG1-CG2 3.51Å; V35-T89 HydrophobicContact CG2-CG2 3.71Å
36	E	90	Very high	71.2	Confident	50 Å²	50	76 Å²	76	23%	0.234	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	126.5	-174.9	-177.4	173.3	-150.1	0	0	111.5	N29 T34 V38 V88 T89	N29-E36 PolarHBondContact ND2-OE1 3.45Å; T34-E36 PolarHBondContact O-N 3.39Å; E36-V38 HydrophobicContact CG-CG1 3.75Å; E36-V88 CarbonylContact O-C 3.45Å; E36-V88 WeakPolarHBondContact O-CA 3.45Å; E36-T89 PolarHBondContact O-N 3.09Å
37	E	91.1	Very high	73.7	Confident	118 Å²	118	72.3 Å²	72.3	55%	0.551	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.4	167.5	-173.1	179.3	158	0	0	109.8	Y58 T89 C91	E37-Y58 WeakPolarHBondContact CG-OH 3.49Å; E37-Y58 PolarHBondContact OE1-OH 3.37Å; E37-Y58 PolarHBondContact OE2-OH 2.89Å; E37-T89 CarbonylContact C-O 3.53Å; E37-T89 WeakPolarHBondContact CA-O 3.47Å; E37-T89 WeakPolarHBondContact CA-OG1 3.48Å; E37-C91 WeakPolarHBondContact OE1-CB 3.42Å
38	V	92.6	Very high	76.5	Confident	11 Å²	11	70.7 Å²	70.7	7%	0.067	36%	0.358	C	S	.	.			trans	-121.9	151.7	-178.1	-57.8	0	0	0	0	111.6	E36 T42 L43 I46 V88 T89 V90	E36-V38 HydrophobicContact CG-CG1 3.75Å; V38-T42 HydrophobicContact CB-CG2 3.98Å; V38-T42 HydrophobicContact CG1-CG2 4.06Å; V38-L43 HydrophobicContact CG2-CB 4.23Å; V38-I46 HydrophobicContact CB-CD1 4.35Å; V38-I46 HydrophobicContact CG1-CD1 4Å; V38-I46 HydrophobicContact CG2-CD1 4.01Å; V38-V88 HydrophobicContact CG1-CB 4.33Å; V38-V88 HydrophobicContact CG1-CG1 4.16Å; V38-V88 HydrophobicContact CG2-CB 4.06Å; V38-V88 HydrophobicContact CG2-CG2 4.04Å; V38-T89 PolarHBondContact N-O 3.35Å; V38-V90 HydrophobicContact CG2-CG2 3.66Å
39	D	90	Very high	79.1	Confident	70 Å²	70	66 Å²	66	37%	0.374	35%	0.352	S	S	.	.			trans	-77	170	171.3	69.6	24.2	0	0	0	112	N41 T42 L43	D39-N41 VanDerWaalsContact C-N 3.32Å; D39-N41 PolarHBondContact O-N 3.24Å; D39-N41 PolarHBondContact OD1-N 3.1Å; D39-T42 PolarHBondContact O-N 2.94Å; D39-T42 WeakPolarHBondContact OD1-CB 3.32Å; D39-T42 PolarHBondContact OD1-N 3.26Å; D39-T42 PolarHBondContact OD1-OG1 2.73Å; D39-L43 PolarHBondContact O-N 3.5Å
40	N	87.6	Confident	81.6	Confident	34 Å²	34	65 Å²	65	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-37.5	-178	67.4	-19.9	0	0	0	113.3	L43 Y44 Y95	N40-L43 PolarHBondContact O-N 3.4Å; N40-Y44 HydrophobicContact CB-CE2 4.3Å; N40-Y44 WeakPolarHBondContact O-CD2 3.2Å; N40-Y44 WeakPolarHBondContact O-CE2 3.39Å; N40-Y44 PolarHBondContact O-N 3.35Å; N40-Y95 HydrophobicContact CB-CD1 4.13Å; N40-Y95 HydrophobicContact CB-CD2 4.07Å; N40-Y95 HydrophobicContact CB-CE1 4.11Å; N40-Y95 HydrophobicContact CB-CE2 4.06Å; N40-Y95 HydrophobicContact CB-CG 4.12Å; N40-Y95 WeakPolarHBondContact ND2-CD1 3.43Å
41	N	87.5	Confident	83.9	Confident	98 Å²	98	66.1 Å²	66.1	52%	0.524	35%	0.349	S	S	.	.	H	α-helix	trans	-67.9	-43.7	-179.9	-72.1	-37.7	0	0	0	111.3	D39 L43 Y44 Q45	D39-N41 VanDerWaalsContact C-N 3.32Å; D39-N41 PolarHBondContact O-N 3.24Å; D39-N41 PolarHBondContact OD1-N 3.1Å; N41-L43 VanDerWaalsContact C-N 3.34Å; N41-Y44 PolarHBondContact O-N 3.2Å; N41-Q45 WeakPolarHBondContact O-CG 2.88Å; N41-Q45 PolarHBondContact O-N 3.39Å
42	T	92.1	Very high	86.1	Confident	40 Å²	40	60.1 Å²	60.1	25%	0.245	32%	0.318	C	S	.	.	H	α-helix	trans	-64.9	-41	176.2	-54.5	0	0	0	0	110	F22 V38 D39 Y44 Q45 I46	F22-T42 HydrophobicContact CE2-CG2 4.45Å; V38-T42 HydrophobicContact CB-CG2 3.98Å; V38-T42 HydrophobicContact CG1-CG2 4.06Å; D39-T42 PolarHBondContact O-N 2.94Å; D39-T42 WeakPolarHBondContact OD1-CB 3.32Å; D39-T42 PolarHBondContact OD1-N 3.26Å; D39-T42 PolarHBondContact OD1-OG1 2.73Å; T42-Y44 PolarHBondContact O-N 2.66Å; T42-Q45 WeakPolarHBondContact O-CB 3.49Å; T42-Q45 PolarHBondContact O-N 2.76Å; T42-I46 HydrophobicContact CG2-CD1 3.96Å; T42-I46 HydrophobicContact CG2-CG1 4.41Å; T42-I46 WeakPolarHBondContact O-CD1 3.43Å; T42-I46 VanDerWaalsContact O-CG1 3.26Å; T42-I46 WeakPolarHBondContact O-CG1 3.5Å; T42-I46 PolarHBondContact O-N 3.3Å
43	L	92.8	Very high	88.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.4	-49.5	172	174	64.6	0	0	0	111.8	V38 D39 N40 N41 Q45 I46 L47 V55 F57 V88 V90 M98 L102	V38-L43 HydrophobicContact CG2-CB 4.23Å; D39-L43 PolarHBondContact O-N 3.5Å; N40-L43 PolarHBondContact O-N 3.4Å; N41-L43 VanDerWaalsContact C-N 3.34Å; L43-Q45 VanDerWaalsContact C-N 3.26Å; L43-Q45 PolarHBondContact O-N 2.79Å; L43-I46 WeakPolarHBondContact O-CB 3.31Å; L43-I46 PolarHBondContact O-N 2.98Å; L43-L47 HydrophobicContact CD1-CD1 4.06Å; L43-L47 HydrophobicContact CD1-CG 4.03Å; L43-L47 HydrophobicContact CG-CD1 3.98Å; L43-L47 HydrophobicContact CG-CG 4.37Å; L43-L47 WeakPolarHBondContact O-CB 3.27Å; L43-L47 WeakPolarHBondContact O-CG 3.38Å; L43-L47 PolarHBondContact O-N 3.22Å; L43-V55 HydrophobicContact CD1-CG1 4.23Å; L43-V55 HydrophobicContact CD1-CG2 3.48Å; L43-V55 VanDerWaalsContact CD1-CG2 3.48Å; L43-V55 HydrophobicContact CD2-CG1 4.48Å; L43-F57 HydrophobicContact CD2-CE1 3.73Å; L43-F57 HydrophobicContact CD2-CZ 3.9Å; L43-V88 HydrophobicContact CD1-CG2 4.45Å; L43-V90 HydrophobicContact CB-CG2 4.34Å; L43-V90 HydrophobicContact CD2-CG2 4.15Å; L43-M98 HydrophobicContact CD2-SD 4.29Å; L43-L102 HydrophobicContact CD2-CD1 3.9Å
44	Y	91.8	Very high	90.2	Very high	55 Å²	55	52.1 Å²	52.1	22%	0.216	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-34.4	179.2	-66.2	-52.9	0	0	0	112.4	N40 N41 T42 L47 S48 K101 L102	N40-Y44 HydrophobicContact CB-CE2 4.3Å; N40-Y44 WeakPolarHBondContact O-CD2 3.2Å; N40-Y44 WeakPolarHBondContact O-CE2 3.39Å; N40-Y44 PolarHBondContact O-N 3.35Å; N41-Y44 PolarHBondContact O-N 3.2Å; T42-Y44 PolarHBondContact O-N 2.66Å; Y44-L47 HydrophobicContact CD1-CD1 4.48Å; Y44-S48 WeakPolarHBondContact O-CB 3.49Å; Y44-S48 PolarHBondContact O-N 2.92Å; Y44-K101 HydrophobicContact CE1-CD 4.34Å; Y44-K101 WeakPolarHBondContact OH-CD 3.41Å; Y44-L102 HydrophobicContact CE1-CD1 4.44Å; Y44-L102 HydrophobicContact CE1-CD2 4.04Å; Y44-L102 HydrophobicContact CE1-CG 4.3Å
45	Q	91.6	Very high	91.1	Very high	106 Å²	106	48.5 Å²	48.5	50%	0.495	25%	0.246	S	C	.	.	H	α-helix	trans	-67.2	-47.1	173.4	-71	175.5	8.9	0	0	111.6	N41 T42 L43 L47 S48 V49	N41-Q45 WeakPolarHBondContact O-CG 2.88Å; N41-Q45 PolarHBondContact O-N 3.39Å; T42-Q45 WeakPolarHBondContact O-CB 3.49Å; T42-Q45 PolarHBondContact O-N 2.76Å; L43-Q45 VanDerWaalsContact C-N 3.26Å; L43-Q45 PolarHBondContact O-N 2.79Å; Q45-L47 VanDerWaalsContact C-N 3.34Å; Q45-L47 PolarHBondContact O-N 3.49Å; Q45-S48 PolarHBondContact O-N 2.78Å; Q45-S48 VanDerWaalsContact O-N 3.11Å; Q45-S48 PolarHBondContact O-OG 2.85Å; Q45-V49 WeakPolarHBondContact O-CG2 3.42Å; Q45-V49 PolarHBondContact O-N 2.8Å
46	I	92.4	Very high	91.4	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-53.6	-53.5	174.6	-69.9	156.6	0	0	0	109.1	F22 V38 T42 L43 S48 V49 Q50 V53 V88	F22-I46 HydrophobicContact CE2-CG1 3.9Å; F22-I46 HydrophobicContact CZ-CB 4.37Å; F22-I46 HydrophobicContact CZ-CG1 3.45Å; F22-I46 VanDerWaalsContact CZ-CG1 3.45Å; V38-I46 HydrophobicContact CB-CD1 4.35Å; V38-I46 HydrophobicContact CG1-CD1 4Å; V38-I46 HydrophobicContact CG2-CD1 4.01Å; T42-I46 HydrophobicContact CG2-CD1 3.96Å; T42-I46 HydrophobicContact CG2-CG1 4.41Å; T42-I46 WeakPolarHBondContact O-CD1 3.43Å; T42-I46 VanDerWaalsContact O-CG1 3.26Å; T42-I46 WeakPolarHBondContact O-CG1 3.5Å; T42-I46 PolarHBondContact O-N 3.3Å; L43-I46 WeakPolarHBondContact O-CB 3.31Å; L43-I46 PolarHBondContact O-N 2.98Å; I46-S48 VanDerWaalsContact C-N 3.26Å; I46-S48 PolarHBondContact O-N 3.43Å; I46-V49 PolarHBondContact O-N 2.8Å; I46-V49 VanDerWaalsContact O-N 3.15Å; I46-Q50 HydrophobicContact CG2-CB 4.28Å; I46-Q50 HydrophobicContact CG2-CG 4.05Å; I46-Q50 VanDerWaalsContact O-CB 3.3Å; I46-Q50 WeakPolarHBondContact O-CB 3.32Å; I46-Q50 PolarHBondContact O-N 3.33Å; I46-V53 HydrophobicContact CG2-CB 4.39Å; I46-V53 HydrophobicContact CG2-CG1 3.72Å; I46-V53 HydrophobicContact CG2-CG2 3.67Å; I46-V88 HydrophobicContact CD1-CG1 4.06Å; I46-V88 HydrophobicContact CD1-CG2 4.46Å
47	L	92	Very high	91.6	Very high	8 Å²	8	46 Å²	46	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-57.1	-39.7	179.1	-70.3	172.6	0	0	0	111.8	L43 Y44 Q45 V49 V53 L102 F112 G115	L43-L47 HydrophobicContact CD1-CD1 4.06Å; L43-L47 HydrophobicContact CD1-CG 4.03Å; L43-L47 HydrophobicContact CG-CD1 3.98Å; L43-L47 HydrophobicContact CG-CG 4.37Å; L43-L47 WeakPolarHBondContact O-CB 3.27Å; L43-L47 WeakPolarHBondContact O-CG 3.38Å; L43-L47 PolarHBondContact O-N 3.22Å; Y44-L47 HydrophobicContact CD1-CD1 4.48Å; Q45-L47 VanDerWaalsContact C-N 3.34Å; Q45-L47 PolarHBondContact O-N 3.49Å; L47-V49 VanDerWaalsContact C-N 3.29Å; L47-V49 PolarHBondContact O-N 3.49Å; L47-V53 HydrophobicContact CD2-CB 4Å; L47-V53 HydrophobicContact CD2-CG1 4.35Å; L47-V53 HydrophobicContact CD2-CG2 4.04Å; L47-L102 HydrophobicContact CD1-CD2 4.37Å; L47-F112 HydrophobicContact CD2-CB 3.39Å; L47-F112 HydrophobicContact CD2-CD1 4.27Å; L47-F112 HydrophobicContact CD2-CD2 3.99Å; L47-F112 HydrophobicContact CD2-CG 3.64Å; L47-G115 WeakPolarHBondContact O-CA 3.18Å; L47-G115 PolarHBondContact O-N 2.77Å
48	S	90.1	Very high	91.4	Very high	90 Å²	90	40.6 Å²	40.6	63%	0.629	21%	0.208	S	C	*	.	H	α-helix	trans	-68.7	-24	-178.4	77	0	0	0	0	114.5	Y44 Q45 I46	Y44-S48 WeakPolarHBondContact O-CB 3.49Å; Y44-S48 PolarHBondContact O-N 2.92Å; Q45-S48 PolarHBondContact O-N 2.78Å; Q45-S48 VanDerWaalsContact O-N 3.11Å; Q45-S48 PolarHBondContact O-OG 2.85Å; I46-S48 VanDerWaalsContact C-N 3.26Å; I46-S48 PolarHBondContact O-N 3.43Å
49	V	90.1	Very high	91	Very high	104 Å²	104	42 Å²	42	63%	0.63	22%	0.215	S	C	*	.	H	α-helix	trans	-107	-43.1	-174.7	176.5	0	0	0	0	111.8	Q45 I46 L47	Q45-V49 WeakPolarHBondContact O-CG2 3.42Å; Q45-V49 PolarHBondContact O-N 2.8Å; I46-V49 PolarHBondContact O-N 2.8Å; I46-V49 VanDerWaalsContact O-N 3.15Å; L47-V49 VanDerWaalsContact C-N 3.29Å; L47-V49 PolarHBondContact O-N 3.49Å
50	Q	89.6	Confident	90.3	Very high	65 Å²	65	46 Å²	46	30%	0.304	23%	0.232	S	C	.	.			trans	-87.9	132.8	-173.6	-62.2	-63	-31	0	0	110.6	I46 V53	I46-Q50 HydrophobicContact CG2-CB 4.28Å; I46-Q50 HydrophobicContact CG2-CG 4.05Å; I46-Q50 VanDerWaalsContact O-CB 3.3Å; I46-Q50 WeakPolarHBondContact O-CB 3.32Å; I46-Q50 PolarHBondContact O-N 3.33Å; Q50-V53 HydrophobicContact CB-CG2 3.68Å
51	R	86.5	Confident	89.3	Confident	144 Å²	144	47.7 Å²	47.7	54%	0.543	26%	0.257	S	S	.	.	S	Bend	trans	-68.9	-38.9	179.2	-172	173.9	-173.9	-172.7	-8.7	112.2	R113 D114	R51-R113 HydrophobicContact CG-CG 4.34Å; R51-R113 CarbonylContact O-C 3.56Å; R51-R113 WeakPolarHBondContact O-CA 3.14Å; R51-R113 WeakPolarHBondContact O-CG 3.43Å; R51-D114 WeakPolarHBondContact CG-OD1 3.34Å; R51-D114 IonicContact NE-OD1 3.91Å; R51-D114 PolarHBondContact NE-OD1 3.12Å; R51-D114 PolarHBondContact O-N 3.35Å
52	H	91.9	Very high	88.3	Confident	16 Å²	16	48.4 Å²	48.4	7%	0.074	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.1	-175.4	-58.6	-75.7	0	0	0	108.8	P84 I85 S86 Y111 I144	H52-P84 PolarHBondContact CD2-O 3.17Å; H52-I85 HydrophobicContact CB-CB 3.92Å; H52-I85 HydrophobicContact CB-CD1 3.89Å; H52-I85 HydrophobicContact CB-CG1 3.74Å; H52-I85 WeakPolarHBondContact O-CG1 3.39Å; H52-S86 PolarHBondContact O-N 3.21Å; H52-S86 VanDerWaalsContact O-N 3.11Å; H52-Y111 HydrophobicContact CB-CE2 4.1Å; H52-Y111 PolarHBondContact CE1-OH 3.43Å; H52-Y111 AromaticContact ND1-CE2 3.87Å; H52-Y111 AromaticContact ND1-CZ 3.68Å; H52-Y111 PolarHBondContact ND1-OH 3.44Å; H52-I144 HydrophobicContact CB-CG1 4.44Å
53	V	94.8	Very high	87.3	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	131.7	-179.5	-171.2	0	0	0	0	109.3	I46 L47 Q50 V55 S86 V88 Y111 F112	I46-V53 HydrophobicContact CG2-CB 4.39Å; I46-V53 HydrophobicContact CG2-CG1 3.72Å; I46-V53 HydrophobicContact CG2-CG2 3.67Å; L47-V53 HydrophobicContact CD2-CB 4Å; L47-V53 HydrophobicContact CD2-CG1 4.35Å; L47-V53 HydrophobicContact CD2-CG2 4.04Å; Q50-V53 HydrophobicContact CB-CG2 3.68Å; V53-V55 HydrophobicContact CG1-CG2 3.84Å; V53-S86 CarbonylContact C-O 3.52Å; V53-S86 WeakPolarHBondContact CA-O 3.03Å; V53-V88 HydrophobicContact CG1-CG2 4.28Å; V53-Y111 CarbonylContact O-C 3.45Å; V53-Y111 WeakPolarHBondContact O-CA 3.34Å; V53-F112 HydrophobicContact CB-CB 4.47Å; V53-F112 PolarHBondContact N-O 2.93Å; V53-F112 PolarHBondContact O-N 2.76Å
54	V	95.8	Very high	86.5	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.7	169.1	169.7	0	0	0	0	108.2	I85 S86 V87 V88 V109 Y111 I140	V54-I85 HydrophobicContact CB-CD1 4.48Å; V54-I85 HydrophobicContact CG2-CD1 3.54Å; V54-I85 HydrophobicContact CG2-CG1 4.43Å; V54-S86 PolarHBondContact N-O 2.97Å; V54-V87 HydrophobicContact CB-CG1 4.49Å; V54-V87 HydrophobicContact CB-CG2 4.44Å; V54-V87 HydrophobicContact CG1-CG1 4.39Å; V54-V87 WeakPolarHBondContact O-CA 3.42Å; V54-V88 PolarHBondContact O-N 2.97Å; V54-V109 HydrophobicContact CG1-CG1 3.77Å; V54-Y111 HydrophobicContact CG2-CD2 3.96Å; V54-I140 HydrophobicContact CB-CD1 4.28Å; V54-I140 HydrophobicContact CG1-CD1 4.23Å; V54-I140 HydrophobicContact CG2-CD1 3.54Å; V54-I140 HydrophobicContact CG2-CG1 3.68Å
55	V	95.6	Very high	86.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.5	-177.7	-169	0	0	0	0	109.1	L43 V53 F57 V88 V90 V109 T110 F112	L43-V55 HydrophobicContact CD1-CG1 4.23Å; L43-V55 HydrophobicContact CD1-CG2 3.48Å; L43-V55 VanDerWaalsContact CD1-CG2 3.48Å; L43-V55 HydrophobicContact CD2-CG1 4.48Å; V53-V55 HydrophobicContact CG1-CG2 3.84Å; V55-F57 HydrophobicContact CB-CD2 4.21Å; V55-F57 HydrophobicContact CB-CE1 4.44Å; V55-F57 HydrophobicContact CB-CE2 3.62Å; V55-F57 HydrophobicContact CB-CZ 3.74Å; V55-F57 HydrophobicContact CG1-CD1 3.99Å; V55-F57 HydrophobicContact CG1-CD2 4Å; V55-F57 HydrophobicContact CG1-CE1 3.6Å; V55-F57 HydrophobicContact CG1-CE2 3.62Å; V55-F57 HydrophobicContact CG1-CG 4.19Å; V55-F57 HydrophobicContact CG1-CZ 3.39Å; V55-F57 HydrophobicContact CG2-CE2 4.49Å; V55-F57 HydrophobicContact CG2-CZ 4.3Å; V55-V88 WeakPolarHBondContact CA-O 3.37Å; V55-V88 HydrophobicContact CB-CG2 4.47Å; V55-V88 HydrophobicContact CG1-CG2 4.3Å; V55-V88 HydrophobicContact CG2-CG2 3.98Å; V55-V90 HydrophobicContact CG1-CB 4.19Å; V55-V90 HydrophobicContact CG1-CG2 3.68Å; V55-V109 WeakPolarHBondContact O-CA 3.37Å; V55-T110 PolarHBondContact N-O 2.77Å; V55-T110 PolarHBondContact O-N 2.76Å; V55-F112 HydrophobicContact CB-CD2 4.4Å; V55-F112 HydrophobicContact CB-CE2 4.02Å; V55-F112 HydrophobicContact CG2-CD2 3.72Å; V55-F112 HydrophobicContact CG2-CE2 3.71Å
56	Y	94.6	Very high	85.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	110.9	164.9	176.3	-143.2	0	0	0	109.7	Y58 Q63 Q64 I67 V71 V88 T89 V90 P107 S108 V109	Y56-Y58 AromaticContact CD1-CD1 3.98Å; Y56-Y58 HydrophobicContact CD1-CD1 3.98Å; Y56-Y58 AromaticContact CE1-CD1 3.92Å; Y56-Y58 HydrophobicContact CE1-CD1 3.92Å; Y56-Y58 HydrophobicContact CE1-CG 4.3Å; Y56-Y58 HydrophobicContact CG-CD1 4.44Å; Y56-Q63 HydrophobicContact CE1-CG 4.31Å; Y56-Q64 PolarHBondContact OH-N 2.8Å; Y56-Q64 VanDerWaalsContact OH-N 3.09Å; Y56-I67 HydrophobicContact CD1-CG2 4.35Å; Y56-I67 HydrophobicContact CD2-CG2 3.69Å; Y56-I67 HydrophobicContact CE1-CB 4.42Å; Y56-I67 HydrophobicContact CE1-CG2 4.07Å; Y56-I67 HydrophobicContact CE2-CB 4.12Å; Y56-I67 HydrophobicContact CE2-CD1 4.43Å; Y56-I67 HydrophobicContact CE2-CG2 3.4Å; Y56-I67 HydrophobicContact CG-CG2 4.18Å; Y56-V71 HydrophobicContact CD1-CG2 4.31Å; Y56-V71 HydrophobicContact CG-CG2 4.05Å; Y56-V88 PolarHBondContact N-O 3.47Å; Y56-T89 HydrophobicContact CD1-CG2 4.16Å; Y56-T89 CarbonylContact O-C 3.41Å; Y56-T89 WeakPolarHBondContact O-CA 3.48Å; Y56-V90 PolarHBondContact O-N 3.17Å; Y56-P107 HydrophobicContact CE2-CB 4.31Å; Y56-S108 WeakPolarHBondContact CD2-O 3.38Å; Y56-V109 HydrophobicContact CD2-CG2 3.7Å; Y56-V109 HydrophobicContact CG-CG2 4.19Å
57	F	92.4	Very high	85.5	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	129.4	173.4	-60.8	-82	0	0	0	110.2	L43 V55 V90 M98 L102 I104 I106 P107 S108 F112	L43-F57 HydrophobicContact CD2-CE1 3.73Å; L43-F57 HydrophobicContact CD2-CZ 3.9Å; V55-F57 HydrophobicContact CB-CD2 4.21Å; V55-F57 HydrophobicContact CB-CE1 4.44Å; V55-F57 HydrophobicContact CB-CE2 3.62Å; V55-F57 HydrophobicContact CB-CZ 3.74Å; V55-F57 HydrophobicContact CG1-CD1 3.99Å; V55-F57 HydrophobicContact CG1-CD2 4Å; V55-F57 HydrophobicContact CG1-CE1 3.6Å; V55-F57 HydrophobicContact CG1-CE2 3.62Å; V55-F57 HydrophobicContact CG1-CG 4.19Å; V55-F57 HydrophobicContact CG1-CZ 3.39Å; V55-F57 HydrophobicContact CG2-CE2 4.49Å; V55-F57 HydrophobicContact CG2-CZ 4.3Å; F57-V90 HydrophobicContact CD1-CB 3.99Å; F57-V90 HydrophobicContact CD1-CG1 4.33Å; F57-V90 HydrophobicContact CE1-CB 4.2Å; F57-V90 HydrophobicContact CE1-CG1 4.46Å; F57-V90 HydrophobicContact CE1-CG2 4.48Å; F57-M98 HydrophobicContact CD1-CE 3.58Å; F57-M98 HydrophobicContact CD1-SD 4.21Å; F57-M98 HydrophobicContact CE1-CE 3.81Å; F57-M98 HydrophobicContact CE1-SD 3.78Å; F57-L102 HydrophobicContact CE1-CD1 4.11Å; F57-L102 HydrophobicContact CZ-CD1 3.79Å; F57-I104 HydrophobicContact CB-CD1 4.25Å; F57-I104 HydrophobicContact CD1-CD1 3.53Å; F57-I104 HydrophobicContact CD2-CD1 3.4Å; F57-I104 VanDerWaalsContact CD2-CD1 3.4Å; F57-I104 HydrophobicContact CE1-CD1 3.55Å; F57-I104 HydrophobicContact CE2-CD1 3.39Å; F57-I104 HydrophobicContact CE2-CG2 4.41Å; F57-I104 HydrophobicContact CG-CD1 3.45Å; F57-I104 VanDerWaalsContact CG-CD1 3.45Å; F57-I104 HydrophobicContact CZ-CD1 3.48Å; F57-I104 VanDerWaalsContact CZ-CD1 3.48Å; F57-I106 HydrophobicContact CB-CD1 4.33Å; F57-I106 HydrophobicContact CB-CG1 4.13Å; F57-P107 CarbonylContact O-C 3.49Å; F57-P107 WeakPolarHBondContact O-CA 3.39Å; F57-S108 PolarHBondContact N-O 2.79Å; F57-S108 PolarHBondContact O-N 3.27Å; F57-F112 AromaticContact CE2-CE2 3.62Å; F57-F112 HydrophobicContact CE2-CE2 3.62Å; F57-F112 AromaticContact CE2-CZ 3.82Å; F57-F112 HydrophobicContact CE2-CZ 3.82Å; F57-F112 AromaticContact CZ-CE2 3.76Å; F57-F112 HydrophobicContact CZ-CE2 3.76Å; F57-F112 AromaticContact CZ-CZ 3.88Å; F57-F112 HydrophobicContact CZ-CZ 3.88Å
58	Y	88.7	Confident	85.3	Confident	5 Å²	5	57.7 Å²	57.7	2%	0.02	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	164.2	175.4	61.4	-78.9	0	0	0	109.5	E37 Y56 Q63 V90 C91 A92	E37-Y58 WeakPolarHBondContact CG-OH 3.49Å; E37-Y58 PolarHBondContact OE1-OH 3.37Å; E37-Y58 PolarHBondContact OE2-OH 2.89Å; Y56-Y58 AromaticContact CD1-CD1 3.98Å; Y56-Y58 HydrophobicContact CD1-CD1 3.98Å; Y56-Y58 AromaticContact CE1-CD1 3.92Å; Y56-Y58 HydrophobicContact CE1-CD1 3.92Å; Y56-Y58 HydrophobicContact CE1-CG 4.3Å; Y56-Y58 HydrophobicContact CG-CD1 4.44Å; Y58-Q63 HydrophobicContact CD2-CB 3.65Å; Y58-Q63 HydrophobicContact CD2-CG 3.79Å; Y58-Q63 HydrophobicContact CE2-CB 4.22Å; Y58-Q63 HydrophobicContact CE2-CG 4.11Å; Y58-Q63 HydrophobicContact CG-CB 4.2Å; Y58-Q63 HydrophobicContact CG-CG 4.09Å; Y58-V90 WeakPolarHBondContact CD1-O 3.26Å; Y58-V90 PolarHBondContact N-O 2.9Å; Y58-C91 HydrophobicContact CE2-CB 3.83Å; Y58-C91 CarbonylContact O-C 3.56Å; Y58-C91 WeakPolarHBondContact O-CA 3.39Å; Y58-A92 PolarHBondContact O-N 3.44Å
59	D	84.1	Confident	85.3	Confident	40 Å²	40	59.5 Å²	59.5	21%	0.214	30%	0.3	C	S	.	.			trans	-108.4	167.5	164.6	67.6	45.2	0	0	0	110.1	G61 H62 Q63 T93	D59-G61 PolarHBondContact O-N 3.38Å; D59-G61 WeakPolarHBondContact OD1-CA 3.43Å; D59-G61 PolarHBondContact OD1-N 2.91Å; D59-H62 PolarHBondContact O-N 3.1Å; D59-H62 VanDerWaalsContact O-N 3.12Å; D59-H62 VanDerWaalsContact OD1-CB 3.26Å; D59-H62 WeakPolarHBondContact OD1-CB 3.41Å; D59-H62 IonicContact OD1-CE1 2.77Å; D59-H62 IonicContact OD1-CG 2.78Å; D59-H62 PolarHBondContact OD1-N 3.15Å; D59-H62 IonicContact OD1-ND1 2.66Å; D59-H62 PolarHBondContact OD1-ND1 2.99Å; D59-H62 IonicContact OD2-CE1 3.17Å; D59-H62 IonicContact OD2-CG 3.17Å; D59-H62 IonicContact OD2-ND1 2.75Å; D59-H62 PolarHBondContact OD2-ND1 3.04Å; D59-Q63 PolarHBondContact O-N 2.73Å; D59-T93 WeakPolarHBondContact CA-OG1 3.16Å
60	H	73.6	Confident	85.3	Confident	154 Å²	154	55.3 Å²	55.3	71%	0.713	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.3	-173	-155.9	25.6	0	0	0	112.9	T93	H60-T93 HydrophobicContact CB-CG2 4.15Å; H60-T93 WeakPolarHBondContact CB-OG1 3.48Å; H60-T93 PolarHBondContact N-OG1 2.9Å
61	G	67.9	Low	85.4	Confident	70 Å²	70	52.2 Å²	52.2	72%	0.722	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-17.8	177.8	0	0	0	0	0	115.1	D59	D59-G61 PolarHBondContact O-N 3.38Å; D59-G61 WeakPolarHBondContact OD1-CA 3.43Å; D59-G61 PolarHBondContact OD1-N 2.91Å
62	H	66.3	Low	85.7	Confident	113 Å²	113	46.6 Å²	46.6	52%	0.523	24%	0.241	S	C	.	.			trans	-121	22.1	-172.9	-58.9	102.7	0	0	0	113.4	D59 Q64	D59-H62 PolarHBondContact O-N 3.1Å; D59-H62 VanDerWaalsContact O-N 3.12Å; D59-H62 VanDerWaalsContact OD1-CB 3.26Å; D59-H62 WeakPolarHBondContact OD1-CB 3.41Å; D59-H62 IonicContact OD1-CE1 2.77Å; D59-H62 IonicContact OD1-CG 2.78Å; D59-H62 PolarHBondContact OD1-N 3.15Å; D59-H62 IonicContact OD1-ND1 2.66Å; D59-H62 PolarHBondContact OD1-ND1 2.99Å; D59-H62 IonicContact OD2-CE1 3.17Å; D59-H62 IonicContact OD2-CG 3.17Å; D59-H62 IonicContact OD2-ND1 2.75Å; D59-H62 PolarHBondContact OD2-ND1 3.04Å; H62-Q64 PolarHBondContact O-N 3.49Å
63	Q	70.6	Confident	85.7	Confident	89 Å²	89	47 Å²	47	42%	0.416	25%	0.249	S	C	.	.			trans	-65.1	104.6	167	-165.5	-179	30.6	0	0	109.3	Y56 Y58 D59 E65 Y68	Y56-Q63 HydrophobicContact CE1-CG 4.31Å; Y58-Q63 HydrophobicContact CD2-CB 3.65Å; Y58-Q63 HydrophobicContact CD2-CG 3.79Å; Y58-Q63 HydrophobicContact CE2-CB 4.22Å; Y58-Q63 HydrophobicContact CE2-CG 4.11Å; Y58-Q63 HydrophobicContact CG-CB 4.2Å; Y58-Q63 HydrophobicContact CG-CG 4.09Å; D59-Q63 PolarHBondContact O-N 2.73Å; Q63-E65 PolarHBondContact O-N 3.08Å; Q63-Y68 VanDerWaalsContact NE2-CD2 3.29Å
64	Q	77.1	Confident	85.5	Confident	75 Å²	75	47 Å²	47	35%	0.35	25%	0.249	S	C	.	.			trans	-81.3	116.5	178.1	-62.7	-174.7	21.4	0	0	108.7	Y56 H62 S66 I67 Y68	Y56-Q64 PolarHBondContact OH-N 2.8Å; Y56-Q64 VanDerWaalsContact OH-N 3.09Å; H62-Q64 PolarHBondContact O-N 3.49Å; Q64-S66 PolarHBondContact O-N 2.88Å; Q64-I67 HydrophobicContact CB-CB 4.16Å; Q64-I67 HydrophobicContact CB-CD1 3.85Å; Q64-I67 HydrophobicContact CB-CG1 3.88Å; Q64-I67 HydrophobicContact CG-CD1 4.11Å; Q64-I67 PolarHBondContact O-N 2.96Å; Q64-Y68 PolarHBondContact O-N 3.44Å
65	E	83.3	Confident	85.4	Confident	129 Å²	129	47.9 Å²	47.9	60%	0.603	26%	0.255	S	S	*	.	H	α-helix	trans	-56.6	-36.1	-178.6	-166.8	-173.2	159	0	0	112.3	Q63 Y68 K69	Q63-E65 PolarHBondContact O-N 3.08Å; E65-Y68 PolarHBondContact O-N 2.95Å; E65-K69 HydrophobicContact CG-CD 4.28Å; E65-K69 WeakPolarHBondContact O-CB 3.48Å; E65-K69 WeakPolarHBondContact O-CG 3.27Å; E65-K69 PolarHBondContact O-N 2.8Å; E65-K69 VanDerWaalsContact OE1-CE 3.22Å; E65-K69 WeakPolarHBondContact OE1-CE 3.43Å; E65-K69 IonicContact OE1-NZ 3.66Å; E65-K69 PolarHBondContact OE1-NZ 3.07Å
66	S	83.9	Confident	85.2	Confident	57 Å²	57	53.2 Å²	53.2	40%	0.399	28%	0.276	S	S	.	.	H	α-helix	trans	-62.7	-44.8	176.2	53.9	0	0	0	0	112.5	Q64 L70	Q64-S66 PolarHBondContact O-N 2.88Å; S66-L70 PolarHBondContact O-N 3.33Å; S66-L70 VanDerWaalsContact O-N 3.08Å
67	I	86.6	Confident	85	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.8	-44.2	177.2	-58.4	177.2	0	0	0	109.8	Y56 Q64 K69 L70 V71 V109 L125	Y56-I67 HydrophobicContact CD1-CG2 4.35Å; Y56-I67 HydrophobicContact CD2-CG2 3.69Å; Y56-I67 HydrophobicContact CE1-CB 4.42Å; Y56-I67 HydrophobicContact CE1-CG2 4.07Å; Y56-I67 HydrophobicContact CE2-CB 4.12Å; Y56-I67 HydrophobicContact CE2-CD1 4.43Å; Y56-I67 HydrophobicContact CE2-CG2 3.4Å; Y56-I67 HydrophobicContact CG-CG2 4.18Å; Q64-I67 HydrophobicContact CB-CB 4.16Å; Q64-I67 HydrophobicContact CB-CD1 3.85Å; Q64-I67 HydrophobicContact CB-CG1 3.88Å; Q64-I67 HydrophobicContact CG-CD1 4.11Å; Q64-I67 PolarHBondContact O-N 2.96Å; I67-K69 VanDerWaalsContact C-N 3.33Å; I67-K69 PolarHBondContact O-N 3.14Å; I67-L70 WeakPolarHBondContact O-CB 3.34Å; I67-L70 PolarHBondContact O-N 2.9Å; I67-L70 VanDerWaalsContact O-N 3.14Å; I67-V71 HydrophobicContact CG2-CG2 4.07Å; I67-V71 VanDerWaalsContact O-CG2 3.26Å; I67-V71 WeakPolarHBondContact O-CG2 3.47Å; I67-V71 PolarHBondContact O-N 3.03Å; I67-V109 HydrophobicContact CG2-CG2 3.63Å; I67-L125 HydrophobicContact CD1-CB 4.12Å; I67-L125 HydrophobicContact CD1-CD1 4.22Å; I67-L125 HydrophobicContact CD1-CD2 4.05Å; I67-L125 HydrophobicContact CD1-CG 4.35Å; I67-L125 HydrophobicContact CG1-CD2 4.25Å; I67-L125 HydrophobicContact CG2-CD2 3.99Å
68	Y	88.3	Confident	84.9	Confident	60 Å²	60	56.4 Å²	56.4	24%	0.235	29%	0.291	C	S	.	.	H	α-helix	trans	-58.4	-44.9	177	-176.4	-95.2	0	0	0	111.5	V35 Q63 Q64 E65 L70 V71 N72 T89	V35-Y68 HydrophobicContact CG1-CD2 4.39Å; V35-Y68 HydrophobicContact CG1-CE2 3.67Å; Q63-Y68 VanDerWaalsContact NE2-CD2 3.29Å; Q64-Y68 PolarHBondContact O-N 3.44Å; E65-Y68 PolarHBondContact O-N 2.95Å; Y68-L70 VanDerWaalsContact C-N 3.35Å; Y68-L70 PolarHBondContact O-N 2.83Å; Y68-V71 PolarHBondContact O-N 3.27Å; Y68-N72 HydrophobicContact CE1-CB 4.42Å; Y68-N72 WeakPolarHBondContact O-CB 3.42Å; Y68-N72 PolarHBondContact O-N 3.32Å; Y68-T89 HydrophobicContact CE2-CG2 4.44Å
69	K	89	Confident	84.9	Confident	128 Å²	128	59 Å²	59	56%	0.557	31%	0.305	S	S	*	.	H	α-helix	trans	-59.8	-42.2	174.8	-79.6	170.8	169.5	165.7	0	112.5	E65 I67 G73	E65-K69 HydrophobicContact CG-CD 4.28Å; E65-K69 WeakPolarHBondContact O-CB 3.48Å; E65-K69 WeakPolarHBondContact O-CG 3.27Å; E65-K69 PolarHBondContact O-N 2.8Å; E65-K69 VanDerWaalsContact OE1-CE 3.22Å; E65-K69 WeakPolarHBondContact OE1-CE 3.43Å; E65-K69 IonicContact OE1-NZ 3.66Å; E65-K69 PolarHBondContact OE1-NZ 3.07Å; I67-K69 VanDerWaalsContact C-N 3.33Å; I67-K69 PolarHBondContact O-N 3.14Å; K69-G73 PolarHBondContact O-N 3.43Å
70	L	90.1	Very high	85	Confident	16 Å²	16	64.4 Å²	64.4	8%	0.084	33%	0.329	C	S	.	.	H	α-helix	trans	-63	-47	176.5	176.5	64.6	0	0	0	111.9	S66 I67 Y68 T74 Y122 I128 N134 P135 L136	S66-L70 PolarHBondContact O-N 3.33Å; S66-L70 VanDerWaalsContact O-N 3.08Å; I67-L70 WeakPolarHBondContact O-CB 3.34Å; I67-L70 PolarHBondContact O-N 2.9Å; I67-L70 VanDerWaalsContact O-N 3.14Å; Y68-L70 VanDerWaalsContact C-N 3.35Å; Y68-L70 PolarHBondContact O-N 2.83Å; L70-T74 WeakPolarHBondContact O-CB 3.37Å; L70-T74 PolarHBondContact O-N 3.4Å; L70-T74 PolarHBondContact O-OG1 3.35Å; L70-Y122 HydrophobicContact CD2-CE1 4.17Å; L70-I128 HydrophobicContact CD2-CD1 4.19Å; L70-N134 VanDerWaalsContact CD1-OD1 3.27Å; L70-N134 WeakPolarHBondContact CD1-OD1 3.39Å; L70-N134 PolarHBondContact O-ND2 3.14Å; L70-N134 VanDerWaalsContact O-ND2 3.15Å; L70-P135 HydrophobicContact CD1-CG 4.04Å; L70-L136 HydrophobicContact CD1-CB 3.9Å; L70-L136 HydrophobicContact CD2-CB 4Å; L70-L136 HydrophobicContact CD2-CD2 4.48Å; L70-L136 HydrophobicContact CG-CB 3.82Å; L70-L136 HydrophobicContact CG-CD2 4.15Å
71	V	93	Very high	85.7	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-67	-43.7	179.7	174.6	0	0	0	0	110.5	V35 Y56 I67 Y68 T74 S75 V87 T89 V109 L136	V35-V71 HydrophobicContact CG1-CG1 4.43Å; V35-V71 HydrophobicContact CG2-CG1 4.11Å; Y56-V71 HydrophobicContact CD1-CG2 4.31Å; Y56-V71 HydrophobicContact CG-CG2 4.05Å; I67-V71 HydrophobicContact CG2-CG2 4.07Å; I67-V71 VanDerWaalsContact O-CG2 3.26Å; I67-V71 WeakPolarHBondContact O-CG2 3.47Å; I67-V71 PolarHBondContact O-N 3.03Å; Y68-V71 PolarHBondContact O-N 3.27Å; V71-T74 WeakPolarHBondContact O-CA 3.19Å; V71-T74 VanDerWaalsContact O-CB 3.27Å; V71-T74 WeakPolarHBondContact O-CB 3.32Å; V71-T74 PolarHBondContact O-N 2.78Å; V71-T74 VanDerWaalsContact O-N 3.07Å; V71-S75 PolarHBondContact O-N 3.49Å; V71-V87 HydrophobicContact CG1-CG1 3.85Å; V71-T89 HydrophobicContact CG1-CG2 4.12Å; V71-V109 HydrophobicContact CG2-CG2 3.74Å; V71-L136 HydrophobicContact CB-CD2 4.48Å; V71-L136 HydrophobicContact CG2-CD2 3.83Å
72	N	92.3	Very high	86.7	Confident	26 Å²	26	63.9 Å²	63.9	14%	0.139	31%	0.314	C	S	.	.	H	α-helix	trans	-60.5	-50.7	175.5	-166.3	38.1	0	0	0	111	T34 V35 Y68 T74 S75 Y76	T34-N72 VanDerWaalsContact CA-OD1 3.32Å; T34-N72 WeakPolarHBondContact CA-OD1 3.32Å; V35-N72 HydrophobicContact CG1-CB 4.14Å; V35-N72 PolarHBondContact N-OD1 2.82Å; Y68-N72 HydrophobicContact CE1-CB 4.42Å; Y68-N72 WeakPolarHBondContact O-CB 3.42Å; Y68-N72 PolarHBondContact O-N 3.32Å; N72-T74 PolarHBondContact O-N 3.35Å; N72-T74 VanDerWaalsContact O-N 3.13Å; N72-S75 VanDerWaalsContact O-CB 3.32Å; N72-S75 WeakPolarHBondContact O-CB 3.27Å; N72-S75 PolarHBondContact O-N 2.94Å; N72-Y76 WeakPolarHBondContact ND2-CE2 3.46Å; N72-Y76 WeakPolarHBondContact O-CD2 3.48Å; N72-Y76 PolarHBondContact O-N 3.15Å; N72-Y76 VanDerWaalsContact O-N 3.09Å
73	G	91.2	Very high	87.7	Confident	25 Å²	25	60 Å²	60	26%	0.258	30%	0.298	S	S	.	.	H	α-helix	trans	-56.7	-27.9	173.4	0	0	0	0	0	113.8	K69 K77 N134	K69-G73 PolarHBondContact O-N 3.43Å; G73-K77 PolarHBondContact O-N 2.75Å; G73-N134 PolarHBondContact O-ND2 3.02Å
74	T	92.2	Very high	88.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-74.7	-45.3	176.2	-60.2	0	0	0	0	110.3	L70 V71 N72 Y76 K77 V78 V87 N134 L136 I140	L70-T74 WeakPolarHBondContact O-CB 3.37Å; L70-T74 PolarHBondContact O-N 3.4Å; L70-T74 PolarHBondContact O-OG1 3.35Å; V71-T74 WeakPolarHBondContact O-CA 3.19Å; V71-T74 VanDerWaalsContact O-CB 3.27Å; V71-T74 WeakPolarHBondContact O-CB 3.32Å; V71-T74 PolarHBondContact O-N 2.78Å; V71-T74 VanDerWaalsContact O-N 3.07Å; N72-T74 PolarHBondContact O-N 3.35Å; N72-T74 VanDerWaalsContact O-N 3.13Å; T74-Y76 VanDerWaalsContact C-N 3.27Å; T74-Y76 PolarHBondContact O-N 3.49Å; T74-K77 PolarHBondContact O-N 3Å; T74-K77 VanDerWaalsContact O-N 3.15Å; T74-V78 HydrophobicContact CG2-CG2 4.3Å; T74-V78 WeakPolarHBondContact O-CG2 3.43Å; T74-V78 PolarHBondContact O-N 2.79Å; T74-V87 HydrophobicContact CG2-CG2 4.43Å; T74-N134 WeakPolarHBondContact CA-ND2 3.39Å; T74-N134 PolarHBondContact N-ND2 3.05Å; T74-N134 PolarHBondContact OG1-ND2 3.43Å; T74-N134 PolarHBondContact OG1-OD1 3.13Å; T74-L136 HydrophobicContact CG2-CD2 4.3Å; T74-L136 HydrophobicContact CG2-CG 4.12Å; T74-L136 WeakPolarHBondContact OG1-CD2 3.02Å; T74-I140 HydrophobicContact CG2-CD1 3.43Å; T74-I140 VanDerWaalsContact CG2-CD1 3.43Å
75	S	93.5	Very high	89.2	Confident	18 Å²	18	57.1 Å²	57.1	13%	0.126	29%	0.292	C	S	.	.	H	α-helix	trans	-53.8	-45.5	175	-163.7	0	0	0	0	111.2	V71 N72 K77 V78 D79	V71-S75 PolarHBondContact O-N 3.49Å; N72-S75 VanDerWaalsContact O-CB 3.32Å; N72-S75 WeakPolarHBondContact O-CB 3.27Å; N72-S75 PolarHBondContact O-N 2.94Å; S75-K77 PolarHBondContact O-N 3.34Å; S75-V78 PolarHBondContact O-N 3.05Å; S75-D79 PolarHBondContact O-N 3.24Å
76	Y	90.1	Very high	89.7	Confident	112 Å²	112	51.4 Å²	51.4	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-56.4	-50.9	174.6	-78.9	-76.1	0	0	0	113.4	A33 N72 T74 V78 D79 E80	A33-Y76 HydrophobicContact CB-CD1 4.26Å; A33-Y76 HydrophobicContact CB-CE1 3.22Å; A33-Y76 VanDerWaalsContact CB-CZ 3.49Å; A33-Y76 VanDerWaalsContact CB-OH 3.25Å; A33-Y76 WeakPolarHBondContact CB-OH 3.3Å; A33-Y76 WeakPolarHBondContact O-CE2 3.29Å; A33-Y76 PolarHBondContact O-OH 2.67Å; N72-Y76 WeakPolarHBondContact ND2-CE2 3.46Å; N72-Y76 WeakPolarHBondContact O-CD2 3.48Å; N72-Y76 PolarHBondContact O-N 3.15Å; N72-Y76 VanDerWaalsContact O-N 3.09Å; T74-Y76 VanDerWaalsContact C-N 3.27Å; T74-Y76 PolarHBondContact O-N 3.49Å; Y76-V78 VanDerWaalsContact C-N 3.31Å; Y76-V78 PolarHBondContact O-N 3.27Å; Y76-D79 PolarHBondContact O-N 2.92Å; Y76-E80 WeakPolarHBondContact O-CB 3.34Å; Y76-E80 PolarHBondContact O-N 2.97Å
77	K	90.4	Very high	90.3	Very high	59 Å²	59	49.2 Å²	49.2	26%	0.257	25%	0.251	S	S	.	.	H	α-helix	trans	-66.4	-34.2	-179.8	-74.8	-169.5	174.6	-171	0	112.3	G73 T74 S75 T81 N134 Y137	G73-K77 PolarHBondContact O-N 2.75Å; T74-K77 PolarHBondContact O-N 3Å; T74-K77 VanDerWaalsContact O-N 3.15Å; S75-K77 PolarHBondContact O-N 3.34Å; K77-T81 WeakPolarHBondContact O-CB 3.39Å; K77-T81 WeakPolarHBondContact O-CG2 3.34Å; K77-T81 PolarHBondContact O-N 2.82Å; K77-T81 PolarHBondContact O-OG1 2.95Å; K77-N134 HydrophobicContact CD-CB 3.92Å; K77-Y137 HydrophobicContact CB-CD1 4.47Å; K77-Y137 HydrophobicContact CB-CD2 3.44Å; K77-Y137 VanDerWaalsContact CB-CD2 3.44Å; K77-Y137 HydrophobicContact CB-CE2 3.7Å; K77-Y137 HydrophobicContact CB-CG 3.87Å; K77-Y137 HydrophobicContact CD-CD1 3.89Å; K77-Y137 HydrophobicContact CD-CD2 4.25Å; K77-Y137 HydrophobicContact CD-CE1 4.44Å; K77-Y137 HydrophobicContact CD-CG 3.79Å
78	V	91.3	Very high	90.7	Very high	8 Å²	8	49.3 Å²	49.3	5%	0.048	25%	0.251	C	S	.	.	H	α-helix	trans	-61.7	-47.2	174.6	163.9	0	0	0	0	110.4	T74 S75 Y76 M82 L83 I85 V87 Y137	T74-V78 HydrophobicContact CG2-CG2 4.3Å; T74-V78 WeakPolarHBondContact O-CG2 3.43Å; T74-V78 PolarHBondContact O-N 2.79Å; S75-V78 PolarHBondContact O-N 3.05Å; Y76-V78 VanDerWaalsContact C-N 3.31Å; Y76-V78 PolarHBondContact O-N 3.27Å; V78-M82 WeakPolarHBondContact O-CA 3.37Å; V78-M82 PolarHBondContact O-N 2.83Å; V78-L83 HydrophobicContact CG1-CB 4.27Å; V78-L83 HydrophobicContact CG2-CB 4.44Å; V78-L83 HydrophobicContact CG2-CD2 4.19Å; V78-L83 PolarHBondContact O-N 2.82Å; V78-I85 HydrophobicContact CB-CG2 4.37Å; V78-I85 HydrophobicContact CG1-CG2 3.65Å; V78-I85 WeakPolarHBondContact CG1-O 3.37Å; V78-I85 HydrophobicContact CG2-CG2 3.73Å; V78-V87 HydrophobicContact CB-CG2 4.4Å; V78-V87 HydrophobicContact CG1-CG2 4.49Å; V78-V87 HydrophobicContact CG2-CG2 3.95Å; V78-Y137 HydrophobicContact CG2-CD2 4.26Å; V78-Y137 HydrophobicContact CG2-CE2 4.46Å
79	D	87.9	Confident	91	Very high	60 Å²	60	46.5 Å²	46.5	32%	0.321	24%	0.24	S	C	.	.	H	α-helix	trans	-65.4	-44.9	176.2	-80	-44.1	0	0	0	112.2	R30 S75 Y76 T81 M82	R30-D79 IonicContact CZ-OD1 3.14Å; R30-D79 IonicContact NE-OD1 3.08Å; R30-D79 IonicContact NH2-OD1 2.68Å; R30-D79 PolarHBondContact NH2-OD1 3.47Å; S75-D79 PolarHBondContact O-N 3.24Å; Y76-D79 PolarHBondContact O-N 2.92Å; D79-T81 VanDerWaalsContact C-N 3.33Å; D79-T81 PolarHBondContact O-N 2.75Å; D79-M82 PolarHBondContact O-N 3.39Å
80	E	87.2	Confident	91.2	Very high	154 Å²	154	40.4 Å²	40.4	72%	0.72	21%	0.214	S	C	*	.	H	α-helix	trans	-59.6	-42.8	178.6	-176.8	-175.7	-173.7	0	0	111.8	Y76	Y76-E80 WeakPolarHBondContact O-CB 3.34Å; Y76-E80 PolarHBondContact O-N 2.97Å
81	T	88.2	Confident	91.1	Very high	67 Å²	67	40.5 Å²	40.5	41%	0.411	22%	0.215	S	C	.	.	H	α-helix	trans	-92.6	1.1	-177.4	61.8	0	0	0	0	114	K77 D79 L83 Y137	K77-T81 WeakPolarHBondContact O-CB 3.39Å; K77-T81 WeakPolarHBondContact O-CG2 3.34Å; K77-T81 PolarHBondContact O-N 2.82Å; K77-T81 PolarHBondContact O-OG1 2.95Å; D79-T81 VanDerWaalsContact C-N 3.33Å; D79-T81 PolarHBondContact O-N 2.75Å; T81-L83 PolarHBondContact O-N 3.12Å; T81-Y137 WeakPolarHBondContact CB-OH 3.41Å; T81-Y137 VanDerWaalsContact CG2-OH 3.32Å; T81-Y137 WeakPolarHBondContact CG2-OH 3.46Å; T81-Y137 PolarHBondContact OG1-OH 3.37Å
82	M	88	Confident	90.6	Very high	145 Å²	145	40.9 Å²	40.9	71%	0.714	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	37.9	-176.6	-61.3	-72.8	177	0	0	112.7	V78 D79	V78-M82 WeakPolarHBondContact O-CA 3.37Å; V78-M82 PolarHBondContact O-N 2.83Å; D79-M82 PolarHBondContact O-N 3.39Å
83	L	86.6	Confident	90.1	Very high	33 Å²	33	42.1 Å²	42.1	17%	0.173	23%	0.227	C	C	.	.			trans	-69.7	131.9	-179	-165.6	69.3	0	0	0	109.2	V78 T81 I85 Y137 I140 I144	V78-L83 HydrophobicContact CG1-CB 4.27Å; V78-L83 HydrophobicContact CG2-CB 4.44Å; V78-L83 HydrophobicContact CG2-CD2 4.19Å; V78-L83 PolarHBondContact O-N 2.82Å; T81-L83 PolarHBondContact O-N 3.12Å; L83-I85 HydrophobicContact CB-CG2 4.31Å; L83-I85 HydrophobicContact CD2-CG2 4Å; L83-I85 HydrophobicContact CG-CG2 4.1Å; L83-I85 PolarHBondContact O-N 2.77Å; L83-Y137 HydrophobicContact CD2-CE2 4.02Å; L83-I140 HydrophobicContact CD2-CG2 4.05Å; L83-I144 HydrophobicContact CD1-CD1 4.13Å; L83-I144 HydrophobicContact CD2-CD1 3.56Å; L83-I144 HydrophobicContact CG-CD1 3.56Å
84	P	88.5	Confident	89.4	Confident	90 Å²	90	48.9 Å²	48.9	58%	0.584	25%	0.25	S	C	*	.	S	Bend	trans	-79.2	66.7	-171.4	33	-36.8	0	0	0	112.3	H52 I144	H52-P84 PolarHBondContact CD2-O 3.17Å; P84-I144 HydrophobicContact CG-CG2 4.21Å
85	I	92	Very high	88.7	Confident	13 Å²	13	52 Å²	52	7%	0.067	26%	0.262	C	S	.	.			trans	-146.1	146.1	180	-174.8	158.4	0	0	0	111	H52 V54 V78 L83 Y111 I140 I144	H52-I85 HydrophobicContact CB-CB 3.92Å; H52-I85 HydrophobicContact CB-CD1 3.89Å; H52-I85 HydrophobicContact CB-CG1 3.74Å; H52-I85 WeakPolarHBondContact O-CG1 3.39Å; V54-I85 HydrophobicContact CB-CD1 4.48Å; V54-I85 HydrophobicContact CG2-CD1 3.54Å; V54-I85 HydrophobicContact CG2-CG1 4.43Å; V78-I85 HydrophobicContact CB-CG2 4.37Å; V78-I85 HydrophobicContact CG1-CG2 3.65Å; V78-I85 WeakPolarHBondContact CG1-O 3.37Å; V78-I85 HydrophobicContact CG2-CG2 3.73Å; L83-I85 HydrophobicContact CB-CG2 4.31Å; L83-I85 HydrophobicContact CD2-CG2 4Å; L83-I85 HydrophobicContact CG-CG2 4.1Å; L83-I85 PolarHBondContact O-N 2.77Å; I85-Y111 HydrophobicContact CD1-CD2 3.88Å; I85-Y111 HydrophobicContact CD1-CE2 3.82Å; I85-I140 HydrophobicContact CD1-CG2 3.5Å; I85-I140 VanDerWaalsContact CD1-CG2 3.5Å; I85-I140 HydrophobicContact CG2-CG2 4.17Å; I85-I144 HydrophobicContact CB-CD1 3.61Å; I85-I144 HydrophobicContact CD1-CD1 3.91Å; I85-I144 HydrophobicContact CD1-CG1 4.26Å; I85-I144 HydrophobicContact CG1-CD1 4.34Å; I85-I144 HydrophobicContact CG2-CD1 3.67Å
86	S	93.6	Very high	87.5	Confident	8 Å²	8	57.4 Å²	57.4	6%	0.056	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.4	169.1	-57.5	0	0	0	0	110.6	H52 V53 V54	H52-S86 PolarHBondContact O-N 3.21Å; H52-S86 VanDerWaalsContact O-N 3.11Å; V53-S86 CarbonylContact C-O 3.52Å; V53-S86 WeakPolarHBondContact CA-O 3.03Å; V54-S86 PolarHBondContact N-O 2.97Å
87	V	95.6	Very high	87	Confident	12 Å²	12	59.8 Å²	59.8	7%	0.073	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.6	173.3	-173.7	0	0	0	0	107.6	V35 V54 V71 T74 V78	V35-V87 HydrophobicContact CG2-CG1 4Å; V54-V87 HydrophobicContact CB-CG1 4.49Å; V54-V87 HydrophobicContact CB-CG2 4.44Å; V54-V87 HydrophobicContact CG1-CG1 4.39Å; V54-V87 WeakPolarHBondContact O-CA 3.42Å; V71-V87 HydrophobicContact CG1-CG1 3.85Å; T74-V87 HydrophobicContact CG2-CG2 4.43Å; V78-V87 HydrophobicContact CB-CG2 4.4Å; V78-V87 HydrophobicContact CG1-CG2 4.49Å; V78-V87 HydrophobicContact CG2-CG2 3.95Å
88	V	95.4	Very high	86.6	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	164	-178.1	-62.6	0	0	0	0	110.9	E36 V38 L43 I46 V53 V54 V55 Y56	E36-V88 CarbonylContact O-C 3.45Å; E36-V88 WeakPolarHBondContact O-CA 3.45Å; V38-V88 HydrophobicContact CG1-CB 4.33Å; V38-V88 HydrophobicContact CG1-CG1 4.16Å; V38-V88 HydrophobicContact CG2-CB 4.06Å; V38-V88 HydrophobicContact CG2-CG2 4.04Å; L43-V88 HydrophobicContact CD1-CG2 4.45Å; I46-V88 HydrophobicContact CD1-CG1 4.06Å; I46-V88 HydrophobicContact CD1-CG2 4.46Å; V53-V88 HydrophobicContact CG1-CG2 4.28Å; V54-V88 PolarHBondContact O-N 2.97Å; V55-V88 WeakPolarHBondContact CA-O 3.37Å; V55-V88 HydrophobicContact CB-CG2 4.47Å; V55-V88 HydrophobicContact CG1-CG2 4.3Å; V55-V88 HydrophobicContact CG2-CG2 3.98Å; Y56-V88 PolarHBondContact N-O 3.47Å
89	T	94.7	Very high	86.1	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150.3	173.3	72.2	0	0	0	0	110.4	V35 E36 E37 V38 Y56 Y68 V71	V35-T89 HydrophobicContact CB-CG2 4.23Å; V35-T89 HydrophobicContact CG1-CG2 3.51Å; V35-T89 HydrophobicContact CG2-CG2 3.71Å; E36-T89 PolarHBondContact O-N 3.09Å; E37-T89 CarbonylContact C-O 3.53Å; E37-T89 WeakPolarHBondContact CA-O 3.47Å; E37-T89 WeakPolarHBondContact CA-OG1 3.48Å; V38-T89 PolarHBondContact N-O 3.35Å; Y56-T89 HydrophobicContact CD1-CG2 4.16Å; Y56-T89 CarbonylContact O-C 3.41Å; Y56-T89 WeakPolarHBondContact O-CA 3.48Å; Y68-T89 HydrophobicContact CE2-CG2 4.44Å; V71-T89 HydrophobicContact CG1-CG2 4.12Å
90	V	92.4	Very high	85.8	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	120.8	179.6	178.5	0	0	0	0	109.9	V38 L43 V55 Y56 F57 Y58 A92 M98	V38-V90 HydrophobicContact CG2-CG2 3.66Å; L43-V90 HydrophobicContact CB-CG2 4.34Å; L43-V90 HydrophobicContact CD2-CG2 4.15Å; V55-V90 HydrophobicContact CG1-CB 4.19Å; V55-V90 HydrophobicContact CG1-CG2 3.68Å; Y56-V90 PolarHBondContact O-N 3.17Å; F57-V90 HydrophobicContact CD1-CB 3.99Å; F57-V90 HydrophobicContact CD1-CG1 4.33Å; F57-V90 HydrophobicContact CE1-CB 4.2Å; F57-V90 HydrophobicContact CE1-CG1 4.46Å; F57-V90 HydrophobicContact CE1-CG2 4.48Å; Y58-V90 WeakPolarHBondContact CD1-O 3.26Å; Y58-V90 PolarHBondContact N-O 2.9Å; V90-A92 PolarHBondContact O-N 3.03Å; V90-M98 HydrophobicContact CG1-CE 3.84Å; V90-M98 HydrophobicContact CG1-SD 3.98Å
91	C	88.1	Confident	85.6	Confident	17 Å²	17	65.8 Å²	65.8	12%	0.115	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	110.6	167.9	-175	0	0	0	0	109.6	E37 Y58 T93 Y95	E37-C91 WeakPolarHBondContact OE1-CB 3.42Å; Y58-C91 HydrophobicContact CE2-CB 3.83Å; Y58-C91 CarbonylContact O-C 3.56Å; Y58-C91 WeakPolarHBondContact O-CA 3.39Å; C91-T93 PolarHBondContact SG-OG1 3.39Å; C91-Y95 WeakPolarHBondContact O-CD2 3.48Å; C91-Y95 VanDerWaalsContact O-CE2 3.28Å; C91-Y95 WeakPolarHBondContact O-CE2 3.49Å
92	A	84.3	Confident	85.5	Confident	9 Å²	9	63.8 Å²	63.8	7%	0.074	31%	0.313	C	S	.	.			trans	-89	-1.8	-174	0	0	0	0	0	115	Y58 V90 F94 Y95 M98 I106	Y58-A92 PolarHBondContact O-N 3.44Å; V90-A92 PolarHBondContact O-N 3.03Å; A92-F94 PolarHBondContact O-N 2.75Å; A92-Y95 PolarHBondContact O-N 3.17Å; A92-M98 HydrophobicContact CB-CE 3.3Å; A92-I106 HydrophobicContact CB-CD1 3.14Å
93	T	81.5	Confident	85.3	Confident	51 Å²	51	62.5 Å²	62.5	31%	0.313	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-31.5	-173.1	-47.4	0	0	0	0	114.4	D59 H60 C91	D59-T93 WeakPolarHBondContact CA-OG1 3.16Å; H60-T93 HydrophobicContact CB-CG2 4.15Å; H60-T93 WeakPolarHBondContact CB-OG1 3.48Å; H60-T93 PolarHBondContact N-OG1 2.9Å; C91-T93 PolarHBondContact SG-OG1 3.39Å
94	F	76.5	Confident	85.2	Confident	167 Å²	167	61.4 Å²	61.4	73%	0.732	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	13.3	-176.2	-54.8	-69.3	0	0	0	113	A92	A92-F94 PolarHBondContact O-N 2.75Å
95	Y	76.7	Confident	84.9	Confident	65 Å²	65	65.2 Å²	65.2	26%	0.255	31%	0.307	S	S	.	.			trans	-130.1	57.4	-170.4	-52.3	-52.2	0	0	0	113	N40 C91 A92 E97 M98	N40-Y95 HydrophobicContact CB-CD1 4.13Å; N40-Y95 HydrophobicContact CB-CD2 4.07Å; N40-Y95 HydrophobicContact CB-CE1 4.11Å; N40-Y95 HydrophobicContact CB-CE2 4.06Å; N40-Y95 HydrophobicContact CB-CG 4.12Å; N40-Y95 WeakPolarHBondContact ND2-CD1 3.43Å; C91-Y95 WeakPolarHBondContact O-CD2 3.48Å; C91-Y95 VanDerWaalsContact O-CE2 3.28Å; C91-Y95 WeakPolarHBondContact O-CE2 3.49Å; A92-Y95 PolarHBondContact O-N 3.17Å; Y95-E97 PolarHBondContact O-N 2.97Å; Y95-M98 HydrophobicContact CD2-CE 4.46Å; Y95-M98 WeakPolarHBondContact O-CB 3.47Å; Y95-M98 PolarHBondContact O-N 3.11Å
96	D	69.4	Low	84.5	Confident	133 Å²	133	66.3 Å²	66.3	71%	0.711	31%	0.312	S	S	*	.	H	α-helix	trans	-53.3	-28	-179.3	-63.5	-10.9	0	0	0	114.2	M98	D96-M98 VanDerWaalsContact C-N 3.31Å
97	E	78.9	Confident	84.2	Confident	162 Å²	162	67.5 Å²	67.5	76%	0.757	32%	0.32	S	S	*	.	H	α-helix	trans	-75.8	-18.7	177.3	-65	-170.2	169.2	0	0	113.5	Y95 K100 K101	Y95-E97 PolarHBondContact O-N 2.97Å; E97-K100 PolarHBondContact O-N 3.39Å; E97-K101 WeakPolarHBondContact O-CB 3.48Å; E97-K101 PolarHBondContact O-N 2.78Å
98	M	82.4	Confident	83.9	Confident	2 Å²	2	67 Å²	67	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-70.2	-43.2	-174.6	-173.1	174	65.5	0	0	112.3	L43 F57 V90 A92 Y95 D96 K100 K101 L102 I106	L43-M98 HydrophobicContact CD2-SD 4.29Å; F57-M98 HydrophobicContact CD1-CE 3.58Å; F57-M98 HydrophobicContact CD1-SD 4.21Å; F57-M98 HydrophobicContact CE1-CE 3.81Å; F57-M98 HydrophobicContact CE1-SD 3.78Å; V90-M98 HydrophobicContact CG1-CE 3.84Å; V90-M98 HydrophobicContact CG1-SD 3.98Å; A92-M98 HydrophobicContact CB-CE 3.3Å; Y95-M98 HydrophobicContact CD2-CE 4.46Å; Y95-M98 WeakPolarHBondContact O-CB 3.47Å; Y95-M98 PolarHBondContact O-N 3.11Å; D96-M98 VanDerWaalsContact C-N 3.31Å; M98-K100 VanDerWaalsContact C-N 3.27Å; M98-K100 PolarHBondContact O-N 3.07Å; M98-K101 PolarHBondContact O-N 3.19Å; M98-L102 HydrophobicContact CG-CD1 3.8Å; M98-L102 HydrophobicContact CG-CG 4.38Å; M98-L102 WeakPolarHBondContact O-CB 3.34Å; M98-L102 PolarHBondContact O-N 2.91Å; M98-L102 HydrophobicContact SD-CD1 4.43Å; M98-I106 HydrophobicContact CE-CD1 4.5Å
99	E	80	Confident	83.8	Confident	83 Å²	83	66.9 Å²	66.9	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-55.1	-45.8	175.6	-72.4	-168.6	146.3	0	0	111.1	N103 I104 I106	E99-N103 CarbonylContact O-C 3.55Å; E99-N103 WeakPolarHBondContact O-CA 3.26Å; E99-N103 PolarHBondContact O-N 3.46Å; E99-I104 PolarHBondContact O-N 3.39Å; E99-I106 HydrophobicContact CG-CD1 3.46Å; E99-I106 VanDerWaalsContact CG-CD1 3.46Å; E99-I106 HydrophobicContact CG-CG1 3.81Å; E99-I106 WeakPolarHBondContact OE1-CB 3.46Å; E99-I106 WeakPolarHBondContact OE1-CD1 3.23Å; E99-I106 WeakPolarHBondContact OE1-CG1 3.34Å
100	K	80.9	Confident	83.8	Confident	183 Å²	183	66.9 Å²	66.9	80%	0.796	32%	0.317	S	S	*	.	H	α-helix	trans	-70.3	-46.2	178.9	-68.1	175.4	-177.1	166.9	0	112.1	E97 M98 N103	E97-K100 PolarHBondContact O-N 3.39Å; M98-K100 VanDerWaalsContact C-N 3.27Å; M98-K100 PolarHBondContact O-N 3.07Å; K100-N103 PolarHBondContact O-N 2.91Å
101	K	83.9	Confident	83.8	Confident	139 Å²	139	67.1 Å²	67.1	60%	0.604	32%	0.317	S	S	*	.	H	α-helix	trans	-67.4	-40.1	-175.6	-176.8	171	171.6	-170.2	0	112.6	Y44 E97 M98	Y44-K101 HydrophobicContact CE1-CD 4.34Å; Y44-K101 WeakPolarHBondContact OH-CD 3.41Å; E97-K101 WeakPolarHBondContact O-CB 3.48Å; E97-K101 PolarHBondContact O-N 2.78Å; M98-K101 PolarHBondContact O-N 3.19Å
102	L	86.1	Confident	84	Confident	24 Å²	24	66.4 Å²	66.4	13%	0.126	31%	0.312	C	S	.	.	H	α-helix	trans	-90.6	-8.4	175.1	-64.7	177.7	0	0	0	112.6	L43 Y44 L47 F57 M98 I104 F112 K119	L43-L102 HydrophobicContact CD2-CD1 3.9Å; Y44-L102 HydrophobicContact CE1-CD1 4.44Å; Y44-L102 HydrophobicContact CE1-CD2 4.04Å; Y44-L102 HydrophobicContact CE1-CG 4.3Å; L47-L102 HydrophobicContact CD1-CD2 4.37Å; F57-L102 HydrophobicContact CE1-CD1 4.11Å; F57-L102 HydrophobicContact CZ-CD1 3.79Å; M98-L102 HydrophobicContact CG-CD1 3.8Å; M98-L102 HydrophobicContact CG-CG 4.38Å; M98-L102 WeakPolarHBondContact O-CB 3.34Å; M98-L102 PolarHBondContact O-N 2.91Å; M98-L102 HydrophobicContact SD-CD1 4.43Å; L102-I104 HydrophobicContact CB-CD1 4.29Å; L102-I104 HydrophobicContact CB-CG1 4.14Å; L102-I104 HydrophobicContact CB-CG2 4.09Å; L102-I104 HydrophobicContact CD1-CD1 4.4Å; L102-I104 PolarHBondContact O-N 2.82Å; L102-F112 HydrophobicContact CD1-CZ 4.17Å; L102-F112 HydrophobicContact CD2-CE1 4.23Å; L102-K119 PolarHBondContact O-NZ 2.76Å
103	N	83.7	Confident	84	Confident	118 Å²	118	66.8 Å²	66.8	63%	0.631	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	40.2	-177.8	-177	36.8	0	0	0	113.4	E99 K100 K119	E99-N103 CarbonylContact O-C 3.55Å; E99-N103 WeakPolarHBondContact O-CA 3.26Å; E99-N103 PolarHBondContact O-N 3.46Å; K100-N103 PolarHBondContact O-N 2.91Å; N103-K119 PolarHBondContact O-NZ 3.34Å
104	I	84.2	Confident	84	Confident	10 Å²	10	66.7 Å²	66.7	5%	0.051	31%	0.309	C	S	.	.			trans	-107.2	159.8	-175	56.8	172	0	0	0	111.2	F57 E99 L102 T110 F112	F57-I104 HydrophobicContact CB-CD1 4.25Å; F57-I104 HydrophobicContact CD1-CD1 3.53Å; F57-I104 HydrophobicContact CD2-CD1 3.4Å; F57-I104 VanDerWaalsContact CD2-CD1 3.4Å; F57-I104 HydrophobicContact CE1-CD1 3.55Å; F57-I104 HydrophobicContact CE2-CD1 3.39Å; F57-I104 HydrophobicContact CE2-CG2 4.41Å; F57-I104 HydrophobicContact CG-CD1 3.45Å; F57-I104 VanDerWaalsContact CG-CD1 3.45Å; F57-I104 HydrophobicContact CZ-CD1 3.48Å; F57-I104 VanDerWaalsContact CZ-CD1 3.48Å; E99-I104 PolarHBondContact O-N 3.39Å; L102-I104 HydrophobicContact CB-CD1 4.29Å; L102-I104 HydrophobicContact CB-CG1 4.14Å; L102-I104 HydrophobicContact CB-CG2 4.09Å; L102-I104 HydrophobicContact CD1-CD1 4.4Å; L102-I104 PolarHBondContact O-N 2.82Å; I104-T110 HydrophobicContact CG2-CG2 4.3Å; I104-F112 HydrophobicContact CG2-CZ 4.21Å
105	Y	83.3	Confident	84.3	Confident	171 Å²	171	60.8 Å²	60.8	67%	0.671	30%	0.296	S	S	*	.			trans	-98.1	157.6	167.1	-62.1	-75	0	0	0	110.3	S108	Y105-S108 WeakPolarHBondContact O-CB 3.3Å; Y105-S108 PolarHBondContact O-OG 3.4Å
106	I	83.5	Confident	84.4	Confident	35 Å²	35	58.9 Å²	58.9	18%	0.179	30%	0.296	C	S	.	.	S	Bend	trans	-128.8	133.2	177.6	-57.5	-173.2	0	0	0	109.2	F57 A92 M98 E99	F57-I106 HydrophobicContact CB-CD1 4.33Å; F57-I106 HydrophobicContact CB-CG1 4.13Å; A92-I106 HydrophobicContact CB-CD1 3.14Å; M98-I106 HydrophobicContact CE-CD1 4.5Å; E99-I106 HydrophobicContact CG-CD1 3.46Å; E99-I106 VanDerWaalsContact CG-CD1 3.46Å; E99-I106 HydrophobicContact CG-CG1 3.81Å; E99-I106 WeakPolarHBondContact OE1-CB 3.46Å; E99-I106 WeakPolarHBondContact OE1-CD1 3.23Å; E99-I106 WeakPolarHBondContact OE1-CG1 3.34Å
107	P	86.9	Confident	84.7	Confident	34 Å²	34	60.8 Å²	60.8	22%	0.221	30%	0.298	C	S	.	.	S	Bend	cis	-74.1	146.3	-4.4	31.5	-34.7	0	0	0	112.8	Y56 F57	Y56-P107 HydrophobicContact CE2-CB 4.31Å; F57-P107 CarbonylContact O-C 3.49Å; F57-P107 WeakPolarHBondContact O-CA 3.39Å
108	S	90	Very high	84.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	153	174.4	65.8	0	0	0	0	112.9	Y56 F57 Y105 T110 E121	Y56-S108 WeakPolarHBondContact CD2-O 3.38Å; F57-S108 PolarHBondContact N-O 2.79Å; F57-S108 PolarHBondContact O-N 3.27Å; Y105-S108 WeakPolarHBondContact O-CB 3.3Å; Y105-S108 PolarHBondContact O-OG 3.4Å; S108-T110 PolarHBondContact OG-OG1 2.89Å; S108-E121 VanDerWaalsContact CB-OE1 3.28Å; S108-E121 WeakPolarHBondContact CB-OE1 3.21Å
109	V	93.6	Very high	84.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	111.5	166.2	178	0	0	0	0	107.8	V54 V55 Y56 I67 V71 Y122 L125 L136	V54-V109 HydrophobicContact CG1-CG1 3.77Å; V55-V109 WeakPolarHBondContact O-CA 3.37Å; Y56-V109 HydrophobicContact CD2-CG2 3.7Å; Y56-V109 HydrophobicContact CG-CG2 4.19Å; I67-V109 HydrophobicContact CG2-CG2 3.63Å; V71-V109 HydrophobicContact CG2-CG2 3.74Å; V109-Y122 PolarHBondContact O-N 2.94Å; V109-L125 HydrophobicContact CB-CD2 3.93Å; V109-L125 HydrophobicContact CG2-CD2 3.54Å; V109-L136 HydrophobicContact CG1-CD1 3.81Å; V109-L136 HydrophobicContact CG1-CD2 3.9Å
110	T	93.9	Very high	84.9	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125	-174.6	-58.2	0	0	0	0	110.5	V55 I104 S108 F112 K119	V55-T110 PolarHBondContact N-O 2.77Å; V55-T110 PolarHBondContact O-N 2.76Å; I104-T110 HydrophobicContact CG2-CG2 4.3Å; S108-T110 PolarHBondContact OG-OG1 2.89Å; T110-F112 HydrophobicContact CG2-CD1 4.45Å; T110-F112 HydrophobicContact CG2-CD2 4.08Å; T110-F112 HydrophobicContact CG2-CE1 4.01Å; T110-F112 HydrophobicContact CG2-CE2 3.61Å; T110-F112 HydrophobicContact CG2-CG 4.49Å; T110-F112 HydrophobicContact CG2-CZ 3.57Å; T110-K119 HydrophobicContact CG2-CB 3.96Å; T110-K119 HydrophobicContact CG2-CD 4.44Å
111	Y	93	Very high	85.3	Confident	5 Å²	5	51.5 Å²	51.5	2%	0.02	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.8	166.3	167.2	-108.4	0	0	0	109.5	H52 V53 V54 I85 R113 K119 S120 K143	H52-Y111 HydrophobicContact CB-CE2 4.1Å; H52-Y111 PolarHBondContact CE1-OH 3.43Å; H52-Y111 AromaticContact ND1-CE2 3.87Å; H52-Y111 AromaticContact ND1-CZ 3.68Å; H52-Y111 PolarHBondContact ND1-OH 3.44Å; V53-Y111 CarbonylContact O-C 3.45Å; V53-Y111 WeakPolarHBondContact O-CA 3.34Å; V54-Y111 HydrophobicContact CG2-CD2 3.96Å; I85-Y111 HydrophobicContact CD1-CD2 3.88Å; I85-Y111 HydrophobicContact CD1-CE2 3.82Å; Y111-R113 HydrophobicContact CE1-CB 4.22Å; Y111-K119 CarbonylContact O-C 3.54Å; Y111-K119 WeakPolarHBondContact O-CA 3.24Å; Y111-K119 WeakPolarHBondContact O-CB 3.2Å; Y111-S120 PolarHBondContact N-O 3.21Å; Y111-S120 PolarHBondContact O-N 3.02Å; Y111-K143 HydrophobicContact CD1-CB 4.14Å; Y111-K143 HydrophobicContact CD1-CG 4.4Å; Y111-K143 HydrophobicContact CE1-CB 3.82Å; Y111-K143 HydrophobicContact CE1-CG 4.47Å; Y111-K143 HydrophobicContact CE2-CB 4.46Å; Y111-K143 PolarHBondContact OH-O 2.75Å
112	F	91	Very high	85.5	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.4	174.5	-65.5	-86.7	0	0	0	110.7	L47 V53 V55 F57 L102 I104 T110 Y118 K119	L47-F112 HydrophobicContact CD2-CB 3.39Å; L47-F112 HydrophobicContact CD2-CD1 4.27Å; L47-F112 HydrophobicContact CD2-CD2 3.99Å; L47-F112 HydrophobicContact CD2-CG 3.64Å; V53-F112 HydrophobicContact CB-CB 4.47Å; V53-F112 PolarHBondContact N-O 2.93Å; V53-F112 PolarHBondContact O-N 2.76Å; V55-F112 HydrophobicContact CB-CD2 4.4Å; V55-F112 HydrophobicContact CB-CE2 4.02Å; V55-F112 HydrophobicContact CG2-CD2 3.72Å; V55-F112 HydrophobicContact CG2-CE2 3.71Å; F57-F112 AromaticContact CE2-CE2 3.62Å; F57-F112 HydrophobicContact CE2-CE2 3.62Å; F57-F112 AromaticContact CE2-CZ 3.82Å; F57-F112 HydrophobicContact CE2-CZ 3.82Å; F57-F112 AromaticContact CZ-CE2 3.76Å; F57-F112 HydrophobicContact CZ-CE2 3.76Å; F57-F112 AromaticContact CZ-CZ 3.88Å; F57-F112 HydrophobicContact CZ-CZ 3.88Å; L102-F112 HydrophobicContact CD1-CZ 4.17Å; L102-F112 HydrophobicContact CD2-CE1 4.23Å; I104-F112 HydrophobicContact CG2-CZ 4.21Å; T110-F112 HydrophobicContact CG2-CD1 4.45Å; T110-F112 HydrophobicContact CG2-CD2 4.08Å; T110-F112 HydrophobicContact CG2-CE1 4.01Å; T110-F112 HydrophobicContact CG2-CE2 3.61Å; T110-F112 HydrophobicContact CG2-CG 4.49Å; T110-F112 HydrophobicContact CG2-CZ 3.57Å; F112-Y118 WeakPolarHBondContact CA-O 3.4Å; F112-K119 HydrophobicContact CD1-CB 3.93Å; F112-K119 HydrophobicContact CE1-CB 4.13Å; F112-K119 HydrophobicContact CE1-CD 4.32Å
113	R	84.4	Confident	85.4	Confident	17 Å²	17	51.3 Å²	51.3	6%	0.064	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149.6	175.4	-158.1	-175.3	70.2	158.3	-6.9	113.6	R51 Y111 G115 G116 K117 Y118 E188	R51-R113 HydrophobicContact CG-CG 4.34Å; R51-R113 CarbonylContact O-C 3.56Å; R51-R113 WeakPolarHBondContact O-CA 3.14Å; R51-R113 WeakPolarHBondContact O-CG 3.43Å; Y111-R113 HydrophobicContact CE1-CB 4.22Å; R113-G115 PolarHBondContact O-N 3.47Å; R113-G116 PolarHBondContact O-N 3.02Å; R113-G116 VanDerWaalsContact O-N 3.16Å; R113-K117 PolarHBondContact O-N 2.81Å; R113-Y118 PolarHBondContact N-O 2.8Å; R113-Y118 PolarHBondContact O-N 3.44Å; R113-E188 IonicContact CZ-OE1 3.81Å; R113-E188 IonicContact CZ-OE2 3.88Å; R113-E188 IonicContact NE-OE2 2.68Å; R113-E188 PolarHBondContact NE-OE2 2.89Å; R113-E188 IonicContact NH1-OE1 2.82Å; R113-E188 PolarHBondContact NH1-OE1 2.66Å; R113-E188 IonicContact NH1-OE2 2.72Å; R113-E188 PolarHBondContact NH1-OE2 2.87Å; R113-E188 IonicContact NH2-OE1 2.78Å; R113-E188 PolarHBondContact NH2-OE1 2.83Å; R113-E188 IonicContact NH2-OE2 3.97Å; R113-E188 PolarHBondContact NH2-OE2 2.8Å
114	D	82.2	Confident	85.1	Confident	49 Å²	49	49.8 Å²	49.8	26%	0.262	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	54.8	172.1	-59.2	-42.3	0	0	0	113.1	R51 K117 Y118	R51-D114 WeakPolarHBondContact CG-OD1 3.34Å; R51-D114 IonicContact NE-OD1 3.91Å; R51-D114 PolarHBondContact NE-OD1 3.12Å; R51-D114 PolarHBondContact O-N 3.35Å; D114-K117 WeakPolarHBondContact O-CG 3.31Å; D114-Y118 HydrophobicContact CB-CD2 4.29Å; D114-Y118 HydrophobicContact CB-CE2 4.39Å
115	G	82.4	Confident	84.3	Confident	43 Å²	43	50.4 Å²	50.4	44%	0.443	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	7.2	-178.2	0	0	0	0	0	115.3	L47 R113	L47-G115 WeakPolarHBondContact O-CA 3.18Å; L47-G115 PolarHBondContact O-N 2.77Å; R113-G115 PolarHBondContact O-N 3.47Å
116	G	79.9	Confident	83.3	Confident	25 Å²	25	50.7 Å²	50.7	26%	0.258	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	12.3	-171	0	0	0	0	0	114.2	R113 Y118	R113-G116 PolarHBondContact O-N 3.02Å; R113-G116 VanDerWaalsContact O-N 3.16Å; G116-Y118 VanDerWaalsContact C-N 3.29Å; G116-Y118 PolarHBondContact O-N 2.89Å
117	K	73.7	Confident	82	Confident	172 Å²	172	56.2 Å²	56.2	75%	0.748	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-36	174.6	-72.1	-179.7	-178.8	179.4	0	112.4	R113 D114	R113-K117 PolarHBondContact O-N 2.81Å; D114-K117 WeakPolarHBondContact O-CG 3.31Å
118	Y	75.9	Confident	80.6	Confident	52 Å²	52	57.9 Å²	57.9	20%	0.204	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.6	175.8	-51.5	-75.1	0	0	0	108.8	F112 R113 D114 G116 T185	F112-Y118 WeakPolarHBondContact CA-O 3.4Å; R113-Y118 PolarHBondContact N-O 2.8Å; R113-Y118 PolarHBondContact O-N 3.44Å; D114-Y118 HydrophobicContact CB-CD2 4.29Å; D114-Y118 HydrophobicContact CB-CE2 4.39Å; G116-Y118 VanDerWaalsContact C-N 3.29Å; G116-Y118 PolarHBondContact O-N 2.89Å; Y118-T185 HydrophobicContact CE1-CG2 3.51Å; Y118-T185 WeakPolarHBondContact OH-CG2 3.49Å; Y118-T185 PolarHBondContact OH-OG1 3.38Å
119	K	86	Confident	78.7	Confident	77 Å²	77	65 Å²	65	34%	0.335	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	152.5	174.3	66.8	178.2	-175.2	172.3	0	111.9	L102 N103 T110 Y111 F112	L102-K119 PolarHBondContact O-NZ 2.76Å; N103-K119 PolarHBondContact O-NZ 3.34Å; T110-K119 HydrophobicContact CG2-CB 3.96Å; T110-K119 HydrophobicContact CG2-CD 4.44Å; Y111-K119 CarbonylContact O-C 3.54Å; Y111-K119 WeakPolarHBondContact O-CA 3.24Å; Y111-K119 WeakPolarHBondContact O-CB 3.2Å; F112-K119 HydrophobicContact CD1-CB 3.93Å; F112-K119 HydrophobicContact CE1-CB 4.13Å; F112-K119 HydrophobicContact CE1-CD 4.32Å
120	S	84.6	Confident	76.6	Confident	34 Å²	34	68.9 Å²	68.9	24%	0.238	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	131	170.6	-59.3	0	0	0	0	108.2	Y111 W139	Y111-S120 PolarHBondContact N-O 3.21Å; Y111-S120 PolarHBondContact O-N 3.02Å; S120-W139 WeakPolarHBondContact O-CH2 3.05Å
121	E	88.8	Confident	74.5	Confident	72 Å²	72	75.5 Å²	75.5	34%	0.336	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	133.3	174.2	-171.1	174.6	176.1	0	0	109.3	S108 K123	S108-E121 VanDerWaalsContact CB-OE1 3.28Å; S108-E121 WeakPolarHBondContact CB-OE1 3.21Å; E121-K123 PolarHBondContact O-N 2.97Å; E121-K123 VanDerWaalsContact O-N 3.15Å
122	Y	88.7	Confident	72.8	Confident	7 Å²	7	84.8 Å²	84.8	3%	0.027	44%	0.443	C	S	.	.			trans	-74.6	102.7	173.8	-178.3	-106.2	0	0	0	109	L70 V109 E124 L125 P135 L136 W139	L70-Y122 HydrophobicContact CD2-CE1 4.17Å; V109-Y122 PolarHBondContact O-N 2.94Å; Y122-E124 VanDerWaalsContact C-N 3.3Å; Y122-E124 VanDerWaalsContact CE1-C 3.45Å; Y122-E124 HydrophobicContact CE1-CB 3.96Å; Y122-E124 WeakPolarHBondContact CE1-O 3.32Å; Y122-E124 HydrophobicContact CE2-CB 4.27Å; Y122-E124 PolarHBondContact O-N 2.98Å; Y122-L125 HydrophobicContact CD1-CD2 3.81Å; Y122-L125 HydrophobicContact CD1-CG 4.22Å; Y122-L125 HydrophobicContact CE1-CD2 4.48Å; Y122-L125 WeakPolarHBondContact O-CG 3.42Å; Y122-P135 WeakPolarHBondContact OH-CB 3.44Å; Y122-L136 HydrophobicContact CD1-CD1 4.26Å; Y122-L136 HydrophobicContact CD2-CD1 4.03Å; Y122-L136 HydrophobicContact CE2-CD1 4.46Å; Y122-L136 HydrophobicContact CG-CD1 3.89Å; Y122-W139 HydrophobicContact CD2-CB 4.07Å; Y122-W139 AromaticContact CD2-CD2 3.54Å; Y122-W139 HydrophobicContact CD2-CD2 3.54Å; Y122-W139 AromaticContact CD2-CE2 3.97Å; Y122-W139 AromaticContact CD2-CE3 3.76Å; Y122-W139 HydrophobicContact CD2-CE3 3.76Å; Y122-W139 AromaticContact CD2-CG 3.66Å; Y122-W139 HydrophobicContact CD2-CG 3.66Å; Y122-W139 HydrophobicContact CD2-CZ3 4.36Å; Y122-W139 HydrophobicContact CE2-CB 3.84Å; Y122-W139 HydrophobicContact CE2-CD2 4.24Å; Y122-W139 AromaticContact CE2-CG 3.88Å; Y122-W139 HydrophobicContact CE2-CG 3.88Å; Y122-W139 HydrophobicContact CG-CE3 4.4Å
123	K	83.1	Confident	72	Confident	153 Å²	153	87.1 Å²	87.1	67%	0.665	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-13	-173.3	-64	-177.2	179.3	177.8	0	114.1	E121 L125	E121-K123 PolarHBondContact O-N 2.97Å; E121-K123 VanDerWaalsContact O-N 3.15Å; K123-L125 VanDerWaalsContact C-N 3.35Å; K123-L125 PolarHBondContact O-N 2.79Å
124	E	78.7	Confident	72.1	Confident	86 Å²	86	86.9 Å²	86.9	40%	0.402	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	33.3	-173.8	-54.9	-157.8	137.4	0	0	113.6	Y122 M126 K127	Y122-E124 VanDerWaalsContact C-N 3.3Å; Y122-E124 VanDerWaalsContact CE1-C 3.45Å; Y122-E124 HydrophobicContact CE1-CB 3.96Å; Y122-E124 WeakPolarHBondContact CE1-O 3.32Å; Y122-E124 HydrophobicContact CE2-CB 4.27Å; Y122-E124 PolarHBondContact O-N 2.98Å; E124-M126 PolarHBondContact O-N 2.86Å; E124-K127 HydrophobicContact CG-CD 4.44Å; E124-K127 PolarHBondContact O-N 2.81Å; E124-K127 IonicContact OE1-NZ 2.8Å; E124-K127 PolarHBondContact OE1-NZ 3.18Å
125	L	66.8	Low	72.4	Confident	23 Å²	23	87.2 Å²	87.2	12%	0.12	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.3	179.6	-66.4	170.3	0	0	0	113.3	I67 V109 Y122 K123 I128	I67-L125 HydrophobicContact CD1-CB 4.12Å; I67-L125 HydrophobicContact CD1-CD1 4.22Å; I67-L125 HydrophobicContact CD1-CD2 4.05Å; I67-L125 HydrophobicContact CD1-CG 4.35Å; I67-L125 HydrophobicContact CG1-CD2 4.25Å; I67-L125 HydrophobicContact CG2-CD2 3.99Å; V109-L125 HydrophobicContact CB-CD2 3.93Å; V109-L125 HydrophobicContact CG2-CD2 3.54Å; Y122-L125 HydrophobicContact CD1-CD2 3.81Å; Y122-L125 HydrophobicContact CD1-CG 4.22Å; Y122-L125 HydrophobicContact CE1-CD2 4.48Å; Y122-L125 WeakPolarHBondContact O-CG 3.42Å; K123-L125 VanDerWaalsContact C-N 3.35Å; K123-L125 PolarHBondContact O-N 2.79Å; L125-I128 VanDerWaalsContact O-CD1 3.23Å; L125-I128 WeakPolarHBondContact O-CD1 3.15Å; L125-I128 WeakPolarHBondContact O-CG1 3.38Å
126	M	61.5	Low	72.8	Confident	177 Å²	177	85.2 Å²	85.2	87%	0.872	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-10	-175.6	-61	-164.7	-165.6	0	0	114.9	E124 I128	E124-M126 PolarHBondContact O-N 2.86Å; M126-I128 PolarHBondContact O-N 2.88Å; M126-I128 VanDerWaalsContact O-N 3.1Å
127	K	57.7	Low	73.4	Confident	151 Å²	151	84.8 Å²	84.8	66%	0.657	44%	0.442	S	S	*	.			trans	-84.1	28.9	-178	-68.6	-173.9	-174.3	168.6	0	113.4	E124 N129	E124-K127 HydrophobicContact CG-CD 4.44Å; E124-K127 PolarHBondContact O-N 2.81Å; E124-K127 IonicContact OE1-NZ 2.8Å; E124-K127 PolarHBondContact OE1-NZ 3.18Å; K127-N129 VanDerWaalsContact C-N 3.29Å; K127-N129 PolarHBondContact O-N 3.2Å
128	I	56.4	Low	74	Confident	68 Å²	68	80.9 Å²	80.9	35%	0.349	43%	0.427	S	S	.	.			trans	-81.2	74.9	-176.3	-51.6	172.8	0	0	0	109.3	L70 L125 M126	L70-I128 HydrophobicContact CD2-CD1 4.19Å; L125-I128 VanDerWaalsContact O-CD1 3.23Å; L125-I128 WeakPolarHBondContact O-CD1 3.15Å; L125-I128 WeakPolarHBondContact O-CG1 3.38Å; M126-I128 PolarHBondContact O-N 2.88Å; M126-I128 VanDerWaalsContact O-N 3.1Å
129	N	49.5	Very low	74.6	Confident	150 Å²	150	80.8 Å²	80.8	80%	0.802	43%	0.426	S	S	*	.			trans	-107.6	101.8	170.3	-81.3	-15.4	0	0	0	110.3	K127 N131	K127-N129 VanDerWaalsContact C-N 3.29Å; K127-N129 PolarHBondContact O-N 3.2Å; N129-N131 VanDerWaalsContact C-N 3.27Å; N129-N131 PolarHBondContact O-N 2.83Å
130	G	50.3	Low	74.7	Confident	81 Å²	81	77.1 Å²	77.1	84%	0.835	41%	0.41	S	S	*	.	S	Bend	trans	60.2	-7.8	145	0	0	0	0	0	121.8
131	N	49.1	Very low	74.8	Confident	142 Å²	142	80.3 Å²	80.3	76%	0.759	42%	0.42	S	S	*	.			trans	-91.7	143	-173.1	-98.5	-7.8	0	0	0	113.7	N129 G133	N129-N131 VanDerWaalsContact C-N 3.27Å; N129-N131 PolarHBondContact O-N 2.83Å; N131-G133 PolarHBondContact O-N 2.91Å
132	H	58.6	Low	74.4	Confident	199 Å²	199	83.5 Å²	83.5	92%	0.921	44%	0.439	S	S	*	.	S	Bend	trans	-56.5	4.4	-176.3	-65.7	-83.5	0	0	0	116.9
133	G	74.7	Confident	74.1	Confident	51 Å²	51	84.9 Å²	84.9	53%	0.526	45%	0.445	S	S	.	.	S	Bend	trans	-97.2	162.6	177.3	0	0	0	0	0	112.9	N131 P135	N131-G133 PolarHBondContact O-N 2.91Å; G133-P135 WeakPolarHBondContact O-CD 3.37Å
134	N	86	Confident	74	Confident	13 Å²	13	79.1 Å²	79.1	7%	0.07	42%	0.421	C	S	.	.			trans	-108.2	99.4	165	-175.2	-38.3	0	0	0	107.4	L70 G73 T74 K77 L136 Y137 E138	L70-N134 VanDerWaalsContact CD1-OD1 3.27Å; L70-N134 WeakPolarHBondContact CD1-OD1 3.39Å; L70-N134 PolarHBondContact O-ND2 3.14Å; L70-N134 VanDerWaalsContact O-ND2 3.15Å; G73-N134 PolarHBondContact O-ND2 3.02Å; T74-N134 WeakPolarHBondContact CA-ND2 3.39Å; T74-N134 PolarHBondContact N-ND2 3.05Å; T74-N134 PolarHBondContact OG1-ND2 3.43Å; T74-N134 PolarHBondContact OG1-OD1 3.13Å; K77-N134 HydrophobicContact CD-CB 3.92Å; N134-L136 VanDerWaalsContact C-N 3.27Å; N134-L136 PolarHBondContact O-N 2.82Å; N134-L136 WeakPolarHBondContact OD1-CB 3.2Å; N134-L136 PolarHBondContact OD1-N 3.47Å; N134-L136 VanDerWaalsContact OD1-N 3.15Å; N134-Y137 WeakPolarHBondContact O-CB 3.19Å; N134-Y137 PolarHBondContact O-N 2.86Å; N134-Y137 PolarHBondContact OD1-N 3.28Å; N134-E138 PolarHBondContact O-N 2.82Å
135	P	88.1	Confident	73.7	Confident	56 Å²	56	76.9 Å²	76.9	36%	0.364	42%	0.421	S	S	.	.	H	α-helix	trans	-67.5	-28.3	-174	28.2	-36.8	0	0	0	112.7	L70 Y122 G133 E138 W139	L70-P135 HydrophobicContact CD1-CG 4.04Å; Y122-P135 WeakPolarHBondContact OH-CB 3.44Å; G133-P135 WeakPolarHBondContact O-CD 3.37Å; P135-E138 PolarHBondContact O-N 3.35Å; P135-W139 VanDerWaalsContact O-CB 3.32Å; P135-W139 WeakPolarHBondContact O-CB 3.17Å; P135-W139 PolarHBondContact O-N 2.82Å
136	L	91.5	Very high	74.3	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	44%	0.444	C	S	.	.	H	α-helix	trans	-66.8	-41.7	174.1	177.1	61.1	0	0	0	111.3	L70 V71 T74 V109 Y122 N134 W139 I140	L70-L136 HydrophobicContact CD1-CB 3.9Å; L70-L136 HydrophobicContact CD2-CB 4Å; L70-L136 HydrophobicContact CD2-CD2 4.48Å; L70-L136 HydrophobicContact CG-CB 3.82Å; L70-L136 HydrophobicContact CG-CD2 4.15Å; V71-L136 HydrophobicContact CB-CD2 4.48Å; V71-L136 HydrophobicContact CG2-CD2 3.83Å; T74-L136 HydrophobicContact CG2-CD2 4.3Å; T74-L136 HydrophobicContact CG2-CG 4.12Å; T74-L136 WeakPolarHBondContact OG1-CD2 3.02Å; V109-L136 HydrophobicContact CG1-CD1 3.81Å; V109-L136 HydrophobicContact CG1-CD2 3.9Å; Y122-L136 HydrophobicContact CD1-CD1 4.26Å; Y122-L136 HydrophobicContact CD2-CD1 4.03Å; Y122-L136 HydrophobicContact CE2-CD1 4.46Å; Y122-L136 HydrophobicContact CG-CD1 3.89Å; N134-L136 VanDerWaalsContact C-N 3.27Å; N134-L136 PolarHBondContact O-N 2.82Å; N134-L136 WeakPolarHBondContact OD1-CB 3.2Å; N134-L136 PolarHBondContact OD1-N 3.47Å; N134-L136 VanDerWaalsContact OD1-N 3.15Å; L136-W139 HydrophobicContact CD1-CE3 3.85Å; L136-W139 HydrophobicContact CD1-CZ3 4.21Å; L136-W139 PolarHBondContact O-N 2.95Å; L136-I140 HydrophobicContact CD1-CD1 3.94Å; L136-I140 HydrophobicContact CD1-CG1 4.26Å; L136-I140 HydrophobicContact CG-CD1 3.82Å; L136-I140 WeakPolarHBondContact O-CB 3.18Å; L136-I140 WeakPolarHBondContact O-CD1 3.42Å; L136-I140 VanDerWaalsContact O-CG1 3.26Å; L136-I140 WeakPolarHBondContact O-CG1 3.36Å; L136-I140 PolarHBondContact O-N 3.4Å
137	Y	91.2	Very high	75.2	Confident	16 Å²	16	73.5 Å²	73.5	6%	0.063	42%	0.415	C	S	.	.	H	α-helix	trans	-60.3	-47.3	174.2	173.3	-95.6	0	0	0	112.3	K77 V78 T81 L83 N134 W139 I140 K141	K77-Y137 HydrophobicContact CB-CD1 4.47Å; K77-Y137 HydrophobicContact CB-CD2 3.44Å; K77-Y137 VanDerWaalsContact CB-CD2 3.44Å; K77-Y137 HydrophobicContact CB-CE2 3.7Å; K77-Y137 HydrophobicContact CB-CG 3.87Å; K77-Y137 HydrophobicContact CD-CD1 3.89Å; K77-Y137 HydrophobicContact CD-CD2 4.25Å; K77-Y137 HydrophobicContact CD-CE1 4.44Å; K77-Y137 HydrophobicContact CD-CG 3.79Å; V78-Y137 HydrophobicContact CG2-CD2 4.26Å; V78-Y137 HydrophobicContact CG2-CE2 4.46Å; T81-Y137 WeakPolarHBondContact CB-OH 3.41Å; T81-Y137 VanDerWaalsContact CG2-OH 3.32Å; T81-Y137 WeakPolarHBondContact CG2-OH 3.46Å; T81-Y137 PolarHBondContact OG1-OH 3.37Å; L83-Y137 HydrophobicContact CD2-CE2 4.02Å; N134-Y137 WeakPolarHBondContact O-CB 3.19Å; N134-Y137 PolarHBondContact O-N 2.86Å; N134-Y137 PolarHBondContact OD1-N 3.28Å; Y137-W139 VanDerWaalsContact C-N 3.31Å; Y137-W139 PolarHBondContact O-N 3.49Å; Y137-I140 PolarHBondContact O-N 2.96Å; Y137-K141 HydrophobicContact CE1-CD 4.21Å; Y137-K141 WeakPolarHBondContact O-CB 3.33Å; Y137-K141 PolarHBondContact O-N 3.14Å
138	E	87.4	Confident	76.8	Confident	91 Å²	91	66.8 Å²	66.8	43%	0.425	39%	0.386	S	S	.	.	H	α-helix	trans	-63.3	-40.1	178.1	-64.6	-54	143.3	0	0	111.4	N134 P135 K141 L142	N134-E138 PolarHBondContact O-N 2.82Å; P135-E138 PolarHBondContact O-N 3.35Å; E138-K141 PolarHBondContact O-N 2.74Å; E138-L142 WeakPolarHBondContact O-CG 3.41Å; E138-L142 PolarHBondContact O-N 2.88Å; E138-L142 VanDerWaalsContact O-N 3.12Å
139	W	87.2	Confident	78.4	Confident	49 Å²	49	68.4 Å²	68.4	19%	0.186	39%	0.391	C	S	.	.	H	α-helix	trans	-62.4	-43.7	174.8	-179.7	82.5	0	0	0	112.6	S120 Y122 P135 L136 Y137 L142 K143	S120-W139 WeakPolarHBondContact O-CH2 3.05Å; Y122-W139 HydrophobicContact CD2-CB 4.07Å; Y122-W139 AromaticContact CD2-CD2 3.54Å; Y122-W139 HydrophobicContact CD2-CD2 3.54Å; Y122-W139 AromaticContact CD2-CE2 3.97Å; Y122-W139 AromaticContact CD2-CE3 3.76Å; Y122-W139 HydrophobicContact CD2-CE3 3.76Å; Y122-W139 AromaticContact CD2-CG 3.66Å; Y122-W139 HydrophobicContact CD2-CG 3.66Å; Y122-W139 HydrophobicContact CD2-CZ3 4.36Å; Y122-W139 HydrophobicContact CE2-CB 3.84Å; Y122-W139 HydrophobicContact CE2-CD2 4.24Å; Y122-W139 AromaticContact CE2-CG 3.88Å; Y122-W139 HydrophobicContact CE2-CG 3.88Å; Y122-W139 HydrophobicContact CG-CE3 4.4Å; P135-W139 VanDerWaalsContact O-CB 3.32Å; P135-W139 WeakPolarHBondContact O-CB 3.17Å; P135-W139 PolarHBondContact O-N 2.82Å; L136-W139 HydrophobicContact CD1-CE3 3.85Å; L136-W139 HydrophobicContact CD1-CZ3 4.21Å; L136-W139 PolarHBondContact O-N 2.95Å; Y137-W139 VanDerWaalsContact C-N 3.31Å; Y137-W139 PolarHBondContact O-N 3.49Å; W139-L142 PolarHBondContact O-N 2.94Å; W139-K143 HydrophobicContact CD2-CG 4.27Å; W139-K143 HydrophobicContact CZ2-CG 4.28Å; W139-K143 WeakPolarHBondContact O-CG 3.06Å; W139-K143 PolarHBondContact O-N 2.91Å; W139-K143 VanDerWaalsContact O-N 3.09Å
140	I	89.4	Confident	80.5	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-64.2	-43	176.3	-72.4	159.6	0	0	0	111.4	V54 T74 L83 I85 L136 Y137 L142 K143 I144	V54-I140 HydrophobicContact CB-CD1 4.28Å; V54-I140 HydrophobicContact CG1-CD1 4.23Å; V54-I140 HydrophobicContact CG2-CD1 3.54Å; V54-I140 HydrophobicContact CG2-CG1 3.68Å; T74-I140 HydrophobicContact CG2-CD1 3.43Å; T74-I140 VanDerWaalsContact CG2-CD1 3.43Å; L83-I140 HydrophobicContact CD2-CG2 4.05Å; I85-I140 HydrophobicContact CD1-CG2 3.5Å; I85-I140 VanDerWaalsContact CD1-CG2 3.5Å; I85-I140 HydrophobicContact CG2-CG2 4.17Å; L136-I140 HydrophobicContact CD1-CD1 3.94Å; L136-I140 HydrophobicContact CD1-CG1 4.26Å; L136-I140 HydrophobicContact CG-CD1 3.82Å; L136-I140 WeakPolarHBondContact O-CB 3.18Å; L136-I140 WeakPolarHBondContact O-CD1 3.42Å; L136-I140 VanDerWaalsContact O-CG1 3.26Å; L136-I140 WeakPolarHBondContact O-CG1 3.36Å; L136-I140 PolarHBondContact O-N 3.4Å; Y137-I140 PolarHBondContact O-N 2.96Å; I140-L142 PolarHBondContact O-N 3.31Å; I140-K143 CarbonylContact O-C 3.58Å; I140-K143 WeakPolarHBondContact O-CA 3.32Å; I140-K143 PolarHBondContact O-N 3.37Å; I140-I144 HydrophobicContact CG2-CD1 3.62Å; I140-I144 HydrophobicContact CG2-CG1 4.16Å; I140-I144 WeakPolarHBondContact O-CG1 3.29Å; I140-I144 PolarHBondContact O-N 3.27Å
141	K	85.6	Confident	82.7	Confident	102 Å²	102	60.3 Å²	60.3	44%	0.443	33%	0.328	S	S	.	.	H	α-helix	trans	-57.8	-40.4	178.4	-174.7	178.9	175.9	-176.6	0	111.2	Y137 E138 G145	Y137-K141 HydrophobicContact CE1-CD 4.21Å; Y137-K141 WeakPolarHBondContact O-CB 3.33Å; Y137-K141 PolarHBondContact O-N 3.14Å; E138-K141 PolarHBondContact O-N 2.74Å; K141-G145 PolarHBondContact O-N 3.48Å
142	L	80.9	Confident	84.8	Confident	139 Å²	139	61.5 Å²	61.5	73%	0.728	32%	0.322	S	S	*	.	H	α-helix	trans	-65.3	-38.2	172.4	-67.6	171	0	0	0	112.4	E138 W139 I140	E138-L142 WeakPolarHBondContact O-CG 3.41Å; E138-L142 PolarHBondContact O-N 2.88Å; E138-L142 VanDerWaalsContact O-N 3.12Å; W139-L142 PolarHBondContact O-N 2.94Å; I140-L142 PolarHBondContact O-N 3.31Å
143	K	81.7	Confident	86.5	Confident	35 Å²	35	54 Å²	54	15%	0.152	29%	0.292	C	S	.	.	H	α-helix	trans	-74.8	-25	-179.6	-67.7	-68.9	176.8	-173.7	0	114.8	Y111 W139 I140 D191	Y111-K143 HydrophobicContact CD1-CB 4.14Å; Y111-K143 HydrophobicContact CD1-CG 4.4Å; Y111-K143 HydrophobicContact CE1-CB 3.82Å; Y111-K143 HydrophobicContact CE1-CG 4.47Å; Y111-K143 HydrophobicContact CE2-CB 4.46Å; Y111-K143 PolarHBondContact OH-O 2.75Å; W139-K143 HydrophobicContact CD2-CG 4.27Å; W139-K143 HydrophobicContact CZ2-CG 4.28Å; W139-K143 WeakPolarHBondContact O-CG 3.06Å; W139-K143 PolarHBondContact O-N 2.91Å; W139-K143 VanDerWaalsContact O-N 3.09Å; I140-K143 CarbonylContact O-C 3.58Å; I140-K143 WeakPolarHBondContact O-CA 3.32Å; I140-K143 PolarHBondContact O-N 3.37Å; K143-D191 IonicContact NZ-OD2 3.77Å; K143-D191 PolarHBondContact NZ-OD2 3.5Å
144	I	81.2	Confident	87.5	Confident	33 Å²	33	53.4 Å²	53.4	17%	0.169	28%	0.276	C	S	.	.	H	α-helix	trans	-83	-31.8	174.4	-64	169.1	0	0	0	111.1	H52 L83 P84 I85 I140	H52-I144 HydrophobicContact CB-CG1 4.44Å; L83-I144 HydrophobicContact CD1-CD1 4.13Å; L83-I144 HydrophobicContact CD2-CD1 3.56Å; L83-I144 HydrophobicContact CG-CD1 3.56Å; P84-I144 HydrophobicContact CG-CG2 4.21Å; I85-I144 HydrophobicContact CB-CD1 3.61Å; I85-I144 HydrophobicContact CD1-CD1 3.91Å; I85-I144 HydrophobicContact CD1-CG1 4.26Å; I85-I144 HydrophobicContact CG1-CD1 4.34Å; I85-I144 HydrophobicContact CG2-CD1 3.67Å; I140-I144 HydrophobicContact CG2-CD1 3.62Å; I140-I144 HydrophobicContact CG2-CG1 4.16Å; I140-I144 WeakPolarHBondContact O-CG1 3.29Å; I140-I144 PolarHBondContact O-N 3.27Å
145	G	72.3	Confident	88	Confident	38 Å²	38	58.7 Å²	58.7	39%	0.392	30%	0.304	S	S	.	.	S	Bend	trans	-58.9	157.5	175.9	0	0	0	0	0	112.6	K141	K141-G145 PolarHBondContact O-N 3.48Å
146	S	79.2	Confident	88.4	Confident	87 Å²	87	59.4 Å²	59.4	61%	0.608	30%	0.303	S	S	*	.			trans	-60.6	126.6	169.3	175.2	0	0	0	0	108.7	I148	S146-I148 PolarHBondContact O-N 2.66Å; S146-I148 VanDerWaalsContact O-N 3.12Å; S146-I148 PolarHBondContact OG-N 3.17Å; S146-I148 PolarHBondContact OG-O 3.3Å
147	P	82.4	Confident	88.6	Confident	42 Å²	42	59.4 Å²	59.4	27%	0.273	30%	0.303	S	S	.	.	S	Bend	trans	-66	-12.4	173.6	30.8	-37.2	0	0	0	111.8	A187 E188	P147-A187 HydrophobicContact CB-CB 3.79Å; P147-A187 HydrophobicContact CG-CB 3.84Å; P147-E188 HydrophobicContact CB-CG 4.18Å; P147-E188 HydrophobicContact CG-CG 3.94Å
148	I	90.9	Very high	88.8	Confident	10 Å²	10	61.7 Å²	61.7	5%	0.051	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.3	-176.7	-53.4	161.9	0	0	0	109.5	S146 I170 M180 I183 A187 Y195 L197	S146-I148 PolarHBondContact O-N 2.66Å; S146-I148 VanDerWaalsContact O-N 3.12Å; S146-I148 PolarHBondContact OG-N 3.17Å; S146-I148 PolarHBondContact OG-O 3.3Å; I148-I170 HydrophobicContact CD1-CD1 4.46Å; I148-I170 HydrophobicContact CG1-CD1 4.46Å; I148-I170 HydrophobicContact CG2-CD1 4.1Å; I148-M180 HydrophobicContact CD1-CE 3.71Å; I148-I183 HydrophobicContact CD1-CB 4.16Å; I148-I183 HydrophobicContact CD1-CG2 3.53Å; I148-I183 HydrophobicContact CG1-CG2 4.31Å; I148-A187 HydrophobicContact CG1-CB 4.38Å; I148-Y195 WeakPolarHBondContact CA-O 3.24Å; I148-L197 HydrophobicContact CG2-CB 3.57Å
149	K	90	Very high	89.2	Confident	103 Å²	103	62.9 Å²	62.9	45%	0.448	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	123.7	174.4	-175.9	-179.1	179.6	-175.5	0	110.2	L151 F160 Y195 G196 L197	K149-L151 HydrophobicContact CD-CD2 4.03Å; K149-L151 HydrophobicContact CG-CD2 4.14Å; K149-L151 PolarHBondContact O-N 2.82Å; K149-F160 HydrophobicContact CB-CE2 4.26Å; K149-F160 HydrophobicContact CD-CD2 3.78Å; K149-F160 HydrophobicContact CD-CE2 4.15Å; K149-Y195 PolarHBondContact N-O 3.45Å; K149-G196 CarbonylContact O-C 3.44Å; K149-G196 VanDerWaalsContact O-CA 3.27Å; K149-G196 WeakPolarHBondContact O-CA 3.35Å; K149-L197 PolarHBondContact O-N 2.59Å
150	L	92.3	Very high	89.5	Confident	60 Å²	60	61.1 Å²	61.1	31%	0.314	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126.3	171.3	179.4	60.2	0	0	0	110.2	R152 L197 Y199	L150-R152 HydrophobicContact CD2-CG 4.48Å; L150-R152 VanDerWaalsContact CD2-NH2 3.3Å; L150-R152 HydrophobicContact CG-CG 4.15Å; L150-L197 HydrophobicContact CD1-CB 4.43Å; L150-L197 HydrophobicContact CD1-CD2 4.29Å; L150-L197 HydrophobicContact CD1-CG 4.23Å; L150-L197 WeakPolarHBondContact CD1-O 3.48Å; L150-Y199 HydrophobicContact CD1-CD2 3.77Å; L150-Y199 HydrophobicContact CD1-CE2 3.98Å
151	L	96.3	Very high	89.7	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	32%	0.323	C	S	.	.			trans	-109.2	110.3	-179.2	-55.3	175.5	0	0	0	109.3	K149 T157 F160 I169 L197 V198	K149-L151 HydrophobicContact CD-CD2 4.03Å; K149-L151 HydrophobicContact CG-CD2 4.14Å; K149-L151 PolarHBondContact O-N 2.82Å; L151-T157 HydrophobicContact CD1-CG2 4.25Å; L151-F160 HydrophobicContact CD1-CB 4.42Å; L151-F160 HydrophobicContact CD1-CD1 3.7Å; L151-F160 HydrophobicContact CD1-CE1 4.21Å; L151-F160 HydrophobicContact CD1-CG 4.2Å; L151-F160 HydrophobicContact CD2-CB 3.72Å; L151-F160 HydrophobicContact CD2-CD1 4.16Å; L151-F160 HydrophobicContact CD2-CD2 4.28Å; L151-F160 HydrophobicContact CD2-CG 3.81Å; L151-I169 HydrophobicContact CD1-CG2 4.37Å; L151-L197 PolarHBondContact N-O 3.1Å; L151-V198 HydrophobicContact CB-CG2 3.97Å; L151-V198 HydrophobicContact CD1-CG2 4.1Å
152	R	93.3	Very high	89.9	Confident	167 Å²	167	63.2 Å²	63.2	63%	0.63	33%	0.33	S	S	*	.			trans	-98.1	-22.5	-170.2	-59	179.7	-179	-85.8	5.6	113.6	L150 E156 N200	L150-R152 HydrophobicContact CD2-CG 4.48Å; L150-R152 VanDerWaalsContact CD2-NH2 3.3Å; L150-R152 HydrophobicContact CG-CG 4.15Å; R152-E156 PolarHBondContact N-OE2 2.94Å; R152-N200 PolarHBondContact O-ND2 3.06Å
153	S	95.6	Very high	90.3	Very high	41 Å²	41	61.4 Å²	61.4	29%	0.287	33%	0.325	S	S	.	.	S	Bend	trans	-139	160.1	-174.1	67.1	0	0	0	0	111.8	N155 E156 T157	S153-N155 PolarHBondContact O-N 2.85Å; S153-E156 PolarHBondContact O-N 3.01Å; S153-E156 WeakPolarHBondContact OG-CG 3.42Å; S153-E156 PolarHBondContact OG-N 2.87Å; S153-T157 PolarHBondContact O-N 3.39Å; S153-T157 PolarHBondContact O-OG1 3.4Å; S153-T157 VanDerWaalsContact O-OG1 3.13Å
154	M	96.1	Very high	90.7	Very high	39 Å²	39	61.9 Å²	61.9	19%	0.192	33%	0.329	C	S	.	.	H	α-helix	trans	-60	-34.1	174.7	-80.7	-56.2	-55.1	0	0	112.8	T157 N158 I203 H206	M154-T157 PolarHBondContact O-N 3.15Å; M154-N158 WeakPolarHBondContact O-CB 3.2Å; M154-N158 PolarHBondContact O-N 2.87Å; M154-N158 PolarHBondContact O-ND2 3.44Å; M154-I203 HydrophobicContact CG-CG1 4.35Å; M154-I203 HydrophobicContact SD-CB 4.18Å; M154-I203 HydrophobicContact SD-CG1 3.85Å; M154-I203 HydrophobicContact SD-CG2 4.13Å; M154-H206 HydrophobicContact CE-CB 4.12Å; M154-H206 VanDerWaalsContact CE-CG 3.47Å; M154-H206 HydrophobicContact SD-CB 3.89Å
155	N	96.3	Very high	91	Very high	124 Å²	124	64.3 Å²	64.3	66%	0.663	34%	0.342	S	S	*	.	H	α-helix	trans	-64.3	-47	175.9	-71.1	0.9	0	0	0	111.1	S153 T157 N158 E159	S153-N155 PolarHBondContact O-N 2.85Å; N155-T157 VanDerWaalsContact C-N 3.3Å; N155-T157 PolarHBondContact O-N 2.87Å; N155-N158 PolarHBondContact O-N 2.73Å; N155-E159 WeakPolarHBondContact O-CB 3.21Å; N155-E159 WeakPolarHBondContact O-CG 3.33Å; N155-E159 PolarHBondContact O-N 2.79Å
156	E	95.5	Very high	91.8	Very high	70 Å²	70	63.8 Å²	63.8	33%	0.327	33%	0.33	S	S	.	.	H	α-helix	trans	-60.7	-39.8	176.1	-75	169.9	-143.6	0	0	112.3	R152 S153 F160	R152-E156 PolarHBondContact N-OE2 2.94Å; S153-E156 PolarHBondContact O-N 3.01Å; S153-E156 WeakPolarHBondContact OG-CG 3.42Å; S153-E156 PolarHBondContact OG-N 2.87Å; E156-F160 WeakPolarHBondContact O-CB 3.3Å; E156-F160 PolarHBondContact O-N 2.9Å
157	T	96.7	Very high	92.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-67.3	-43.1	177.4	-57.7	0	0	0	0	111.9	L151 S153 M154 N155 F160 I161 I169 I203 F207	L151-T157 HydrophobicContact CD1-CG2 4.25Å; S153-T157 PolarHBondContact O-N 3.39Å; S153-T157 PolarHBondContact O-OG1 3.4Å; S153-T157 VanDerWaalsContact O-OG1 3.13Å; M154-T157 PolarHBondContact O-N 3.15Å; N155-T157 VanDerWaalsContact C-N 3.3Å; N155-T157 PolarHBondContact O-N 2.87Å; T157-F160 WeakPolarHBondContact O-CB 3.49Å; T157-F160 PolarHBondContact O-N 2.82Å; T157-I161 HydrophobicContact CG2-CD1 3.96Å; T157-I161 VanDerWaalsContact O-CG1 3.32Å; T157-I161 WeakPolarHBondContact O-CG1 3.44Å; T157-I161 PolarHBondContact O-N 3Å; T157-I169 HydrophobicContact CG2-CD1 4.17Å; T157-I203 HydrophobicContact CG2-CG2 4.23Å; T157-F207 HydrophobicContact CG2-CE2 3.8Å; T157-F207 HydrophobicContact CG2-CZ 4.13Å
158	N	95.4	Very high	93.2	Very high	65 Å²	65	57.7 Å²	57.7	35%	0.348	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-46.7	177.6	-71.9	-18	0	0	0	111.2	M154 N155 F160 I161 I162	M154-N158 WeakPolarHBondContact O-CB 3.2Å; M154-N158 PolarHBondContact O-N 2.87Å; M154-N158 PolarHBondContact O-ND2 3.44Å; N155-N158 PolarHBondContact O-N 2.73Å; N158-F160 VanDerWaalsContact C-N 3.28Å; N158-F160 PolarHBondContact O-N 3Å; N158-I161 PolarHBondContact O-N 2.86Å; N158-I162 WeakPolarHBondContact O-CB 3.47Å; N158-I162 WeakPolarHBondContact O-CD1 3.46Å; N158-I162 WeakPolarHBondContact O-CG1 3.39Å; N158-I162 PolarHBondContact O-N 3.18Å
159	E	94.1	Very high	93.5	Very high	116 Å²	116	57.2 Å²	57.2	54%	0.542	29%	0.286	S	S	.	.	H	α-helix	trans	-57.7	-43	173.6	-75.4	-64.7	144.1	0	0	111.5	N155 I162 T163	N155-E159 WeakPolarHBondContact O-CB 3.21Å; N155-E159 WeakPolarHBondContact O-CG 3.33Å; N155-E159 PolarHBondContact O-N 2.79Å; E159-I162 PolarHBondContact O-N 3.27Å; E159-T163 VanDerWaalsContact O-CB 3.31Å; E159-T163 WeakPolarHBondContact O-CB 3.46Å; E159-T163 PolarHBondContact O-N 2.98Å; E159-T163 PolarHBondContact O-OG1 3.09Å
160	F	93.5	Very high	93.9	Very high	12 Å²	12	52.3 Å²	52.3	5%	0.053	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-42.1	177	-177.1	-109.8	0	0	0	112.4	K149 L151 E156 T157 N158 N164 I167 I169 A194 Y195	K149-F160 HydrophobicContact CB-CE2 4.26Å; K149-F160 HydrophobicContact CD-CD2 3.78Å; K149-F160 HydrophobicContact CD-CE2 4.15Å; L151-F160 HydrophobicContact CD1-CB 4.42Å; L151-F160 HydrophobicContact CD1-CD1 3.7Å; L151-F160 HydrophobicContact CD1-CE1 4.21Å; L151-F160 HydrophobicContact CD1-CG 4.2Å; L151-F160 HydrophobicContact CD2-CB 3.72Å; L151-F160 HydrophobicContact CD2-CD1 4.16Å; L151-F160 HydrophobicContact CD2-CD2 4.28Å; L151-F160 HydrophobicContact CD2-CG 3.81Å; E156-F160 WeakPolarHBondContact O-CB 3.3Å; E156-F160 PolarHBondContact O-N 2.9Å; T157-F160 WeakPolarHBondContact O-CB 3.49Å; T157-F160 PolarHBondContact O-N 2.82Å; N158-F160 VanDerWaalsContact C-N 3.28Å; N158-F160 PolarHBondContact O-N 3Å; F160-N164 PolarHBondContact O-ND2 3.18Å; F160-I167 HydrophobicContact CD1-CG2 4.03Å; F160-I167 HydrophobicContact CE1-CG2 3.48Å; F160-I167 VanDerWaalsContact CE1-CG2 3.48Å; F160-I167 HydrophobicContact CZ-CG2 4.32Å; F160-I169 HydrophobicContact CE1-CG1 4.49Å; F160-A194 HydrophobicContact CE2-CB 4Å; F160-A194 HydrophobicContact CZ-CB 3.72Å; F160-Y195 WeakPolarHBondContact CZ-O 3.34Å
161	I	93.6	Very high	94.1	Very high	32 Å²	32	49.4 Å²	49.4	16%	0.164	25%	0.25	C	C	.	.	H	α-helix	trans	-67.6	-44.8	175.1	-68.8	167.8	0	0	0	110.1	T157 N158 T163 N164 I167 I169 F207 I217 K219	T157-I161 HydrophobicContact CG2-CD1 3.96Å; T157-I161 VanDerWaalsContact O-CG1 3.32Å; T157-I161 WeakPolarHBondContact O-CG1 3.44Å; T157-I161 PolarHBondContact O-N 3Å; N158-I161 PolarHBondContact O-N 2.86Å; I161-T163 VanDerWaalsContact C-N 3.34Å; I161-T163 PolarHBondContact O-N 3.37Å; I161-N164 PolarHBondContact O-N 3.15Å; I161-N164 VanDerWaalsContact O-O 3.07Å; I161-I167 HydrophobicContact CB-CD1 4.34Å; I161-I167 HydrophobicContact CG1-CD1 4.42Å; I161-I167 HydrophobicContact CG2-CD1 4.2Å; I161-I169 HydrophobicContact CD1-CD1 3.94Å; I161-I169 HydrophobicContact CG1-CD1 4.05Å; I161-F207 HydrophobicContact CD1-CE1 4.05Å; I161-F207 HydrophobicContact CD1-CE2 4.49Å; I161-F207 HydrophobicContact CD1-CZ 3.48Å; I161-F207 VanDerWaalsContact CD1-CZ 3.48Å; I161-I217 HydrophobicContact CD1-CD1 4.02Å; I161-I217 HydrophobicContact CG1-CD1 4.19Å; I161-K219 WeakPolarHBondContact O-CE 3.43Å; I161-K219 PolarHBondContact O-NZ 3.42Å
162	I	90.9	Very high	94.1	Very high	114 Å²	114	49.4 Å²	49.4	59%	0.585	25%	0.25	S	C	*	.	H	α-helix	trans	-62.9	-38.8	-178.7	-70.3	163.8	0	0	0	111.7	N158 E159 N164 K219	N158-I162 WeakPolarHBondContact O-CB 3.47Å; N158-I162 WeakPolarHBondContact O-CD1 3.46Å; N158-I162 WeakPolarHBondContact O-CG1 3.39Å; N158-I162 PolarHBondContact O-N 3.18Å; E159-I162 PolarHBondContact O-N 3.27Å; I162-N164 PolarHBondContact O-N 3.24Å; I162-K219 VanDerWaalsContact C-NZ 3.26Å; I162-K219 PolarHBondContact O-NZ 3.13Å
163	T	89.5	Confident	94.1	Very high	100 Å²	100	46.6 Å²	46.6	61%	0.613	24%	0.242	S	C	*	.	H	α-helix	trans	-75.9	-23.5	-174.3	-55.4	0	0	0	0	113.9	E159 I161	E159-T163 VanDerWaalsContact O-CB 3.31Å; E159-T163 WeakPolarHBondContact O-CB 3.46Å; E159-T163 PolarHBondContact O-N 2.98Å; E159-T163 PolarHBondContact O-OG1 3.09Å; I161-T163 VanDerWaalsContact C-N 3.34Å; I161-T163 PolarHBondContact O-N 3.37Å
164	N	89.1	Confident	93.9	Very high	45 Å²	45	50.4 Å²	50.4	24%	0.241	26%	0.259	C	S	.	.			trans	-116.6	152.1	-171	-62.2	-73.3	0	0	0	112.1	F160 I161 I162 I167 A194 K219	F160-N164 PolarHBondContact O-ND2 3.18Å; I161-N164 PolarHBondContact O-N 3.15Å; I161-N164 VanDerWaalsContact O-O 3.07Å; I162-N164 PolarHBondContact O-N 3.24Å; N164-I167 HydrophobicContact CB-CD1 4.12Å; N164-I167 HydrophobicContact CB-CG1 3.57Å; N164-I167 WeakPolarHBondContact O-CD1 3.16Å; N164-A194 HydrophobicContact CB-CB 3.72Å; N164-A194 WeakPolarHBondContact OD1-CB 3.44Å; N164-K219 WeakPolarHBondContact O-CD 3.32Å; N164-K219 WeakPolarHBondContact O-CE 3.49Å; N164-K219 PolarHBondContact O-NZ 3.13Å
165	N	87.1	Confident	93.7	Very high	85 Å²	85	55.3 Å²	55.3	46%	0.455	28%	0.28	S	S	.	.	S	Bend	trans	-95.8	-32.5	178.8	-75	-2.8	0	0	0	113.7	K219 E220	N165-K219 PolarHBondContact O-N 2.99Å; N165-E220 PolarHBondContact ND2-OE1 3.42Å
166	L	90.3	Very high	93.5	Very high	27 Å²	27	52.4 Å²	52.4	14%	0.141	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	114	-178.5	178.5	60.1	0	0	0	108.7	I193 A194 L216 R218	L166-I193 HydrophobicContact CD2-CG1 3.8Å; L166-I193 HydrophobicContact CG-CB 4.47Å; L166-I193 HydrophobicContact CG-CG1 4Å; L166-I193 HydrophobicContact CG-CG2 4.4Å; L166-A194 PolarHBondContact O-N 2.85Å; L166-L216 HydrophobicContact CD1-CD1 4.08Å; L166-R218 HydrophobicContact CD1-CB 4.17Å; L166-R218 HydrophobicContact CD1-CG 4.08Å
167	I	94.4	Very high	93.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.9	-163.7	-59.7	140.7	0	0	0	109.7	F160 I161 N164 I169 A194 L216 I217	F160-I167 HydrophobicContact CD1-CG2 4.03Å; F160-I167 HydrophobicContact CE1-CG2 3.48Å; F160-I167 VanDerWaalsContact CE1-CG2 3.48Å; F160-I167 HydrophobicContact CZ-CG2 4.32Å; I161-I167 HydrophobicContact CB-CD1 4.34Å; I161-I167 HydrophobicContact CG1-CD1 4.42Å; I161-I167 HydrophobicContact CG2-CD1 4.2Å; N164-I167 HydrophobicContact CB-CD1 4.12Å; N164-I167 HydrophobicContact CB-CG1 3.57Å; N164-I167 WeakPolarHBondContact O-CD1 3.16Å; I167-I169 HydrophobicContact CG2-CD1 4.28Å; I167-I169 HydrophobicContact CG2-CG1 3.66Å; I167-A194 CarbonylContact C-O 3.44Å; I167-A194 WeakPolarHBondContact CA-O 3.22Å; I167-L216 CarbonylContact O-C 3.48Å; I167-L216 WeakPolarHBondContact O-CA 3.09Å; I167-I217 HydrophobicContact CB-CB 4.21Å; I167-I217 HydrophobicContact CD1-CB 4.41Å; I167-I217 HydrophobicContact CD1-CG2 4.38Å; I167-I217 PolarHBondContact N-O 3.23Å; I167-I217 PolarHBondContact O-N 2.74Å
168	A	96	Very high	93.1	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	109.2	167.9	0	0	0	0	0	109.5	I193 A194 Y195 G196 L214 L215 L216 L244	A168-I193 HydrophobicContact CB-CG2 3.71Å; A168-A194 PolarHBondContact N-O 2.88Å; A168-Y195 HydrophobicContact CB-CD1 3.64Å; A168-Y195 HydrophobicContact CB-CE1 3.74Å; A168-Y195 HydrophobicContact CB-CG 4.5Å; A168-Y195 CarbonylContact O-C 3.58Å; A168-Y195 WeakPolarHBondContact O-CA 3.32Å; A168-G196 PolarHBondContact O-N 3.23Å; A168-L214 HydrophobicContact CB-CD1 4.13Å; A168-L214 HydrophobicContact CB-CD2 4.07Å; A168-L214 HydrophobicContact CB-CG 4.22Å; A168-L215 CarbonylContact C-O 3.57Å; A168-L215 WeakPolarHBondContact CA-O 3.14Å; A168-L216 HydrophobicContact CB-CD1 4.44Å; A168-L244 HydrophobicContact CB-CD2 4.17Å
169	I	97.5	Very high	93	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	116.4	174.8	-50.5	-176.8	0	0	0	108.7	L151 T157 F160 I161 I167 F171 G196 V198 L214 L215 I217	L151-I169 HydrophobicContact CD1-CG2 4.37Å; T157-I169 HydrophobicContact CG2-CD1 4.17Å; F160-I169 HydrophobicContact CE1-CG1 4.49Å; I161-I169 HydrophobicContact CD1-CD1 3.94Å; I161-I169 HydrophobicContact CG1-CD1 4.05Å; I167-I169 HydrophobicContact CG2-CD1 4.28Å; I167-I169 HydrophobicContact CG2-CG1 3.66Å; I169-F171 HydrophobicContact CB-CD2 4.39Å; I169-F171 HydrophobicContact CB-CE2 3.7Å; I169-F171 HydrophobicContact CB-CZ 4.33Å; I169-F171 HydrophobicContact CG2-CD2 3.98Å; I169-F171 HydrophobicContact CG2-CE1 4.48Å; I169-F171 HydrophobicContact CG2-CE2 3.36Å; I169-F171 HydrophobicContact CG2-CZ 3.66Å; I169-F171 WeakPolarHBondContact O-CD2 3.47Å; I169-G196 CarbonylContact C-O 3.57Å; I169-G196 WeakPolarHBondContact CA-O 3.45Å; I169-V198 HydrophobicContact CG2-CB 4.43Å; I169-V198 HydrophobicContact CG2-CG2 3.6Å; I169-L214 CarbonylContact O-C 3.55Å; I169-L214 WeakPolarHBondContact O-CA 3.28Å; I169-L215 HydrophobicContact CB-CB 4.43Å; I169-L215 PolarHBondContact N-O 3.13Å; I169-L215 PolarHBondContact O-N 2.8Å; I169-I217 HydrophobicContact CD1-CD1 4.09Å
170	I	97.5	Very high	92.9	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117.7	178.3	-61.1	132.9	0	0	0	108	I148 M172 I183 Y195 G196 L197 V198 L214 W235	I148-I170 HydrophobicContact CD1-CD1 4.46Å; I148-I170 HydrophobicContact CG1-CD1 4.46Å; I148-I170 HydrophobicContact CG2-CD1 4.1Å; I170-M172 HydrophobicContact CG2-CG 3.8Å; I170-M172 HydrophobicContact CG2-SD 4.38Å; I170-I183 HydrophobicContact CD1-CD1 4.47Å; I170-I183 HydrophobicContact CD1-CG2 3.42Å; I170-I183 VanDerWaalsContact CD1-CG2 3.42Å; I170-I183 HydrophobicContact CG1-CD1 4.3Å; I170-I183 HydrophobicContact CG1-CG2 4.13Å; I170-I183 HydrophobicContact CG2-CD1 3.72Å; I170-Y195 HydrophobicContact CD1-CD1 4.17Å; I170-G196 WeakPolarHBondContact CB-O 2.95Å; I170-G196 PolarHBondContact N-O 2.98Å; I170-L197 HydrophobicContact CB-CD1 4.1Å; I170-L197 HydrophobicContact CG2-CD1 3.76Å; I170-L197 CarbonylContact O-C 3.54Å; I170-L197 WeakPolarHBondContact O-CA 3.34Å; I170-V198 PolarHBondContact O-N 3.04Å; I170-L214 HydrophobicContact CG1-CD1 4.05Å; I170-L214 HydrophobicContact CG1-CG 4.39Å; I170-W235 HydrophobicContact CG2-CH2 3.94Å; I170-W235 HydrophobicContact CG2-CZ3 3.99Å
171	F	97.5	Very high	92.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	113.2	176.5	-70.6	-96.2	0	0	0	108.6	I169 V198 I203 F204 F207 I209 Q212 S213 L215	I169-F171 HydrophobicContact CB-CD2 4.39Å; I169-F171 HydrophobicContact CB-CE2 3.7Å; I169-F171 HydrophobicContact CB-CZ 4.33Å; I169-F171 HydrophobicContact CG2-CD2 3.98Å; I169-F171 HydrophobicContact CG2-CE1 4.48Å; I169-F171 HydrophobicContact CG2-CE2 3.36Å; I169-F171 HydrophobicContact CG2-CZ 3.66Å; I169-F171 WeakPolarHBondContact O-CD2 3.47Å; F171-V198 HydrophobicContact CD1-CB 4Å; F171-V198 HydrophobicContact CD1-CG1 3.85Å; F171-V198 HydrophobicContact CE1-CB 4.16Å; F171-V198 HydrophobicContact CE1-CG1 3.91Å; F171-V198 HydrophobicContact CE1-CG2 4.37Å; F171-I203 HydrophobicContact CE1-CG2 4.07Å; F171-F204 HydrophobicContact CB-CD1 4.41Å; F171-F204 HydrophobicContact CB-CE1 3.76Å; F171-F204 HydrophobicContact CB-CE2 4.08Å; F171-F204 HydrophobicContact CB-CZ 3.57Å; F171-F204 HydrophobicContact CD1-CD1 4.14Å; F171-F204 AromaticContact CD1-CD2 3.69Å; F171-F204 HydrophobicContact CD1-CD2 3.69Å; F171-F204 HydrophobicContact CD1-CE1 4.24Å; F171-F204 AromaticContact CD1-CE2 3.8Å; F171-F204 HydrophobicContact CD1-CE2 3.8Å; F171-F204 AromaticContact CD1-CG 3.87Å; F171-F204 HydrophobicContact CD1-CG 3.87Å; F171-F204 HydrophobicContact CD1-CZ 4.08Å; F171-F204 HydrophobicContact CE1-CD2 4.42Å; F171-F204 HydrophobicContact CG-CE1 4.47Å; F171-F204 HydrophobicContact CG-CE2 4.45Å; F171-F204 HydrophobicContact CG-CZ 4.35Å; F171-F207 HydrophobicContact CE1-CB 4.43Å; F171-F207 HydrophobicContact CE1-CD2 4.23Å; F171-F207 HydrophobicContact CZ-CB 4.01Å; F171-F207 AromaticContact CZ-CD2 3.75Å; F171-F207 HydrophobicContact CZ-CD2 3.75Å; F171-F207 AromaticContact CZ-CG 3.99Å; F171-F207 HydrophobicContact CZ-CG 3.99Å; F171-I209 HydrophobicContact CB-CG2 4.01Å; F171-I209 HydrophobicContact CD1-CB 4.43Å; F171-I209 HydrophobicContact CD1-CD1 4.15Å; F171-I209 HydrophobicContact CD1-CG2 4.23Å; F171-I209 HydrophobicContact CD2-CD1 3.42Å; F171-I209 VanDerWaalsContact CD2-CD1 3.42Å; F171-I209 HydrophobicContact CE1-CD1 4.02Å; F171-I209 HydrophobicContact CE2-CD1 3.27Å; F171-I209 HydrophobicContact CG-CD1 3.87Å; F171-I209 HydrophobicContact CG-CG2 4.01Å; F171-I209 HydrophobicContact CZ-CD1 3.6Å; F171-Q212 WeakPolarHBondContact O-CA 3.33Å; F171-S213 PolarHBondContact N-O 3.03Å; F171-S213 PolarHBondContact O-N 3.29Å; F171-S213 VanDerWaalsContact O-N 3.14Å; F171-L215 HydrophobicContact CD2-CB 4.35Å; F171-L215 HydrophobicContact CE2-CB 3.78Å; F171-L215 HydrophobicContact CE2-CD2 4.27Å
172	M	95.6	Very high	92.6	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.308	C	S	.	.			trans	-121.6	139.2	177.9	-68.4	-62.7	-74.3	0	0	109.9	I170 D176 I179 L197 V198 Y199 F204 Q212 W235	I170-M172 HydrophobicContact CG2-CG 3.8Å; I170-M172 HydrophobicContact CG2-SD 4.38Å; M172-D176 HydrophobicContact CE-CB 3.99Å; M172-I179 HydrophobicContact CE-CB 4.36Å; M172-I179 HydrophobicContact CE-CD1 4.08Å; M172-I179 HydrophobicContact CE-CG2 3.94Å; M172-I179 HydrophobicContact SD-CG2 4.3Å; M172-L197 HydrophobicContact CB-CD1 4.2Å; M172-L197 HydrophobicContact CG-CD1 3.85Å; M172-V198 PolarHBondContact N-O 2.91Å; M172-Y199 HydrophobicContact CB-CD1 3.91Å; M172-Y199 HydrophobicContact CB-CE1 3.43Å; M172-Y199 VanDerWaalsContact CB-CE1 3.43Å; M172-Y199 WeakPolarHBondContact O-CA 3.47Å; M172-Y199 WeakPolarHBondContact O-CD1 3.26Å; M172-F204 WeakPolarHBondContact O-CZ 3.2Å; M172-Q212 HydrophobicContact SD-CB 4.26Å; M172-Q212 HydrophobicContact SD-CG 4.25Å; M172-W235 HydrophobicContact SD-CZ2 4.41Å
173	K	93.6	Very high	92.7	Very high	109 Å²	109	57.7 Å²	57.7	47%	0.474	28%	0.281	S	S	.	.	S	Bend	trans	-76.9	-42.6	174	-67.4	-175.2	177	179.6	0	111	T210 Q212	K173-T210 WeakPolarHBondContact CE-O 3.49Å; K173-T210 PolarHBondContact NZ-O 2.76Å; K173-Q212 HydrophobicContact CB-CG 4.41Å; K173-Q212 HydrophobicContact CG-CG 4.13Å
174	D	92.6	Very high	92.7	Very high	120 Å²	120	54.2 Å²	54.2	64%	0.642	26%	0.26	S	S	*	.	S	Bend	trans	-138.6	162.1	-179.7	-61.8	-67.5	0	0	0	109.9	D176	D174-D176 PolarHBondContact O-N 2.81Å
175	F	91.5	Very high	92.5	Very high	142 Å²	142	52.3 Å²	52.3	62%	0.623	25%	0.25	S	S	*	.			trans	-71.4	122	176	179.8	-95	0	0	0	111	E177 M180	F175-E177 HydrophobicContact CE1-CB 3.83Å; F175-E177 HydrophobicContact CE1-CG 4.36Å; F175-E177 HydrophobicContact CZ-CB 4.33Å; F175-M180 HydrophobicContact CD2-CG 4.01Å; F175-M180 HydrophobicContact CE2-CB 4.15Å; F175-M180 HydrophobicContact CE2-CG 3.78Å
176	D	92.5	Very high	92.6	Very high	63 Å²	63	48.3 Å²	48.3	34%	0.337	23%	0.229	S	C	.	.			trans	-117.4	109.6	170.9	-178.8	-45.7	0	0	0	109	M172 D174 K178 I179 M180	M172-D176 HydrophobicContact CE-CB 3.99Å; D174-D176 PolarHBondContact O-N 2.81Å; D176-K178 VanDerWaalsContact C-N 3.29Å; D176-K178 PolarHBondContact O-N 2.91Å; D176-K178 WeakPolarHBondContact OD1-CA 3.26Å; D176-K178 WeakPolarHBondContact OD1-CB 3.49Å; D176-K178 PolarHBondContact OD1-N 3.46Å; D176-I179 HydrophobicContact CB-CB 4Å; D176-I179 HydrophobicContact CB-CD1 4.02Å; D176-I179 HydrophobicContact CB-CG1 4.17Å; D176-I179 PolarHBondContact O-N 3.35Å; D176-I179 PolarHBondContact OD1-N 3.42Å; D176-I179 WeakPolarHBondContact OD2-CD1 3.49Å; D176-M180 WeakPolarHBondContact O-CB 3.46Å; D176-M180 WeakPolarHBondContact O-CG 3.44Å; D176-M180 PolarHBondContact O-N 3.2Å
177	E	89.7	Confident	92.6	Very high	150 Å²	150	47.1 Å²	47.1	70%	0.701	22%	0.223	S	C	*	.	H	α-helix	trans	-58.9	-39.1	-175.6	-170.1	-176.6	168.9	0	0	112.7	F175 K181	F175-E177 HydrophobicContact CE1-CB 3.83Å; F175-E177 HydrophobicContact CE1-CG 4.36Å; F175-E177 HydrophobicContact CZ-CB 4.33Å; E177-K181 VanDerWaalsContact O-CB 3.3Å; E177-K181 WeakPolarHBondContact O-CB 3.49Å; E177-K181 PolarHBondContact O-N 2.7Å
178	K	93	Very high	91.8	Very high	158 Å²	158	48.6 Å²	48.6	69%	0.687	23%	0.23	S	C	*	.	H	α-helix	trans	-69.8	-46	-177.2	-178.1	-175.9	176.3	-173.3	0	110.5	D176 K181 N182	D176-K178 VanDerWaalsContact C-N 3.29Å; D176-K178 PolarHBondContact O-N 2.91Å; D176-K178 WeakPolarHBondContact OD1-CA 3.26Å; D176-K178 WeakPolarHBondContact OD1-CB 3.49Å; D176-K178 PolarHBondContact OD1-N 3.46Å; K178-K181 PolarHBondContact O-N 3.06Å; K178-N182 PolarHBondContact O-N 2.67Å; K178-N182 VanDerWaalsContact O-N 3.16Å
179	I	93.3	Very high	91	Very high	22 Å²	22	52.5 Å²	52.5	11%	0.113	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-49.1	176.3	-68.5	177.5	0	0	0	109.8	M172 D176 K181 N182 I183 W235	M172-I179 HydrophobicContact CE-CB 4.36Å; M172-I179 HydrophobicContact CE-CD1 4.08Å; M172-I179 HydrophobicContact CE-CG2 3.94Å; M172-I179 HydrophobicContact SD-CG2 4.3Å; D176-I179 HydrophobicContact CB-CB 4Å; D176-I179 HydrophobicContact CB-CD1 4.02Å; D176-I179 HydrophobicContact CB-CG1 4.17Å; D176-I179 PolarHBondContact O-N 3.35Å; D176-I179 PolarHBondContact OD1-N 3.42Å; D176-I179 WeakPolarHBondContact OD2-CD1 3.49Å; I179-K181 VanDerWaalsContact C-N 3.27Å; I179-K181 PolarHBondContact O-N 3.25Å; I179-N182 WeakPolarHBondContact O-CB 3.16Å; I179-N182 PolarHBondContact O-N 3.3Å; I179-I183 HydrophobicContact CG2-CD1 3.58Å; I179-I183 HydrophobicContact CG2-CG1 4.16Å; I179-I183 WeakPolarHBondContact O-CG1 3.39Å; I179-I183 PolarHBondContact O-N 2.84Å; I179-W235 HydrophobicContact CB-CB 4.36Å; I179-W235 HydrophobicContact CD1-CB 4.16Å; I179-W235 HydrophobicContact CD1-CG 4.09Å; I179-W235 HydrophobicContact CG1-CB 3.84Å; I179-W235 HydrophobicContact CG1-CG 4.26Å; I179-W235 HydrophobicContact CG2-CB 3.9Å; I179-W235 HydrophobicContact CG2-CD2 3.87Å; I179-W235 HydrophobicContact CG2-CE3 3.84Å; I179-W235 HydrophobicContact CG2-CG 3.93Å
180	M	91.5	Very high	90.2	Very high	18 Å²	18	53.1 Å²	53.1	9%	0.089	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-35.4	-179.2	-71	-51	-54.1	0	0	112.7	I148 F175 D176 I183 S184 L197	I148-M180 HydrophobicContact CD1-CE 3.71Å; F175-M180 HydrophobicContact CD2-CG 4.01Å; F175-M180 HydrophobicContact CE2-CB 4.15Å; F175-M180 HydrophobicContact CE2-CG 3.78Å; D176-M180 WeakPolarHBondContact O-CB 3.46Å; D176-M180 WeakPolarHBondContact O-CG 3.44Å; D176-M180 PolarHBondContact O-N 3.2Å; M180-I183 HydrophobicContact SD-CD1 4.13Å; M180-S184 WeakPolarHBondContact O-CB 3.3Å; M180-S184 PolarHBondContact O-N 3.35Å; M180-S184 PolarHBondContact O-OG 3.49Å; M180-L197 HydrophobicContact CE-CD1 4.23Å; M180-L197 HydrophobicContact CE-CD2 3.62Å; M180-L197 HydrophobicContact CE-CG 4.49Å; M180-L197 HydrophobicContact SD-CD1 4.01Å; M180-L197 HydrophobicContact SD-CD2 4.16Å
181	K	89.7	Confident	89.2	Confident	142 Å²	142	57.2 Å²	57.2	62%	0.617	28%	0.275	S	S	*	.	H	α-helix	trans	-63.6	-46	172.5	-176.2	176.7	-178.6	174.5	0	112.2	E177 K178 I179 S184 T185	E177-K181 VanDerWaalsContact O-CB 3.3Å; E177-K181 WeakPolarHBondContact O-CB 3.49Å; E177-K181 PolarHBondContact O-N 2.7Å; K178-K181 PolarHBondContact O-N 3.06Å; I179-K181 VanDerWaalsContact C-N 3.27Å; I179-K181 PolarHBondContact O-N 3.25Å; K181-S184 PolarHBondContact O-N 3.43Å; K181-T185 PolarHBondContact O-N 3.04Å; K181-T185 PolarHBondContact O-OG1 2.89Å
182	N	92.5	Very high	88.4	Confident	29 Å²	29	60.3 Å²	60.3	16%	0.155	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-45.3	178.2	-69.2	-13	0	0	0	111.7	K178 I179 S184 T185 V186 W235 I237	K178-N182 PolarHBondContact O-N 2.67Å; K178-N182 VanDerWaalsContact O-N 3.16Å; I179-N182 WeakPolarHBondContact O-CB 3.16Å; I179-N182 PolarHBondContact O-N 3.3Å; N182-S184 PolarHBondContact O-N 2.91Å; N182-T185 WeakPolarHBondContact O-CB 3.42Å; N182-T185 PolarHBondContact O-N 2.87Å; N182-V186 WeakPolarHBondContact O-CG2 3.19Å; N182-V186 PolarHBondContact O-N 3.35Å; N182-W235 WeakPolarHBondContact CB-O 3.39Å; N182-W235 PolarHBondContact ND2-O 3.44Å; N182-I237 HydrophobicContact CB-CG1 3.85Å
183	I	92.6	Very high	88.1	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-45.6	177.2	-61.9	169	0	0	0	110.3	I148 I170 I179 M180 T185 V186 A187 W235 L240	I148-I183 HydrophobicContact CD1-CB 4.16Å; I148-I183 HydrophobicContact CD1-CG2 3.53Å; I148-I183 HydrophobicContact CG1-CG2 4.31Å; I170-I183 HydrophobicContact CD1-CD1 4.47Å; I170-I183 HydrophobicContact CD1-CG2 3.42Å; I170-I183 VanDerWaalsContact CD1-CG2 3.42Å; I170-I183 HydrophobicContact CG1-CD1 4.3Å; I170-I183 HydrophobicContact CG1-CG2 4.13Å; I170-I183 HydrophobicContact CG2-CD1 3.72Å; I179-I183 HydrophobicContact CG2-CD1 3.58Å; I179-I183 HydrophobicContact CG2-CG1 4.16Å; I179-I183 WeakPolarHBondContact O-CG1 3.39Å; I179-I183 PolarHBondContact O-N 2.84Å; M180-I183 HydrophobicContact SD-CD1 4.13Å; I183-T185 VanDerWaalsContact C-N 3.29Å; I183-T185 PolarHBondContact O-N 3.32Å; I183-V186 PolarHBondContact O-N 3.48Å; I183-V186 VanDerWaalsContact O-N 3.14Å; I183-A187 VanDerWaalsContact O-CB 3.29Å; I183-A187 WeakPolarHBondContact O-CB 3.48Å; I183-A187 PolarHBondContact O-N 3.33Å; I183-W235 HydrophobicContact CD1-CE3 3.6Å; I183-W235 HydrophobicContact CD1-CZ3 3.48Å; I183-W235 VanDerWaalsContact CD1-CZ3 3.48Å; I183-W235 HydrophobicContact CG1-CE3 3.82Å; I183-W235 HydrophobicContact CG1-CZ3 4Å; I183-L240 HydrophobicContact CB-CD2 4.23Å; I183-L240 HydrophobicContact CG1-CD2 3.7Å
184	S	88.6	Confident	88	Confident	27 Å²	27	56.3 Å²	56.3	19%	0.189	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-41.9	178.5	-58.5	0	0	0	0	111.4	M180 K181 N182 V186 A187 E188	M180-S184 WeakPolarHBondContact O-CB 3.3Å; M180-S184 PolarHBondContact O-N 3.35Å; M180-S184 PolarHBondContact O-OG 3.49Å; K181-S184 PolarHBondContact O-N 3.43Å; N182-S184 PolarHBondContact O-N 2.91Å; S184-V186 PolarHBondContact O-N 3.24Å; S184-A187 PolarHBondContact O-N 2.97Å; S184-E188 WeakPolarHBondContact O-CG 3.22Å; S184-E188 PolarHBondContact O-N 3.31Å; S184-E188 VanDerWaalsContact O-N 3.13Å
185	T	86.3	Confident	88.1	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-58.5	-46.4	174.1	-66.4	0	0	0	0	112.3	Y118 K181 N182 I183 Q189 I237	Y118-T185 HydrophobicContact CE1-CG2 3.51Å; Y118-T185 WeakPolarHBondContact OH-CG2 3.49Å; Y118-T185 PolarHBondContact OH-OG1 3.38Å; K181-T185 PolarHBondContact O-N 3.04Å; K181-T185 PolarHBondContact O-OG1 2.89Å; N182-T185 WeakPolarHBondContact O-CB 3.42Å; N182-T185 PolarHBondContact O-N 2.87Å; I183-T185 VanDerWaalsContact C-N 3.29Å; I183-T185 PolarHBondContact O-N 3.32Å; T185-Q189 WeakPolarHBondContact O-CG 3.1Å; T185-Q189 PolarHBondContact O-N 3.4Å; T185-I237 HydrophobicContact CG2-CD1 3.93Å; T185-I237 HydrophobicContact CG2-CG1 4.28Å; T185-I237 HydrophobicContact CG2-CG2 4.16Å
186	V	89.2	Confident	88.4	Confident	2 Å²	2	44 Å²	44	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-66.6	-43.2	178.6	175	0	0	0	0	111.1	N182 I183 S184 E188 Q189 A190 I237 L240 L244	N182-V186 WeakPolarHBondContact O-CG2 3.19Å; N182-V186 PolarHBondContact O-N 3.35Å; I183-V186 PolarHBondContact O-N 3.48Å; I183-V186 VanDerWaalsContact O-N 3.14Å; S184-V186 PolarHBondContact O-N 3.24Å; V186-E188 VanDerWaalsContact C-N 3.26Å; V186-E188 PolarHBondContact O-N 3.03Å; V186-Q189 PolarHBondContact O-N 2.95Å; V186-Q189 VanDerWaalsContact O-N 3.1Å; V186-A190 PolarHBondContact O-N 2.87Å; V186-I237 HydrophobicContact CG2-CB 4.45Å; V186-I237 HydrophobicContact CG2-CG2 4.02Å; V186-L240 HydrophobicContact CB-CD2 4.28Å; V186-L240 HydrophobicContact CG1-CG 4.4Å; V186-L240 HydrophobicContact CG2-CB 4.37Å; V186-L240 HydrophobicContact CG2-CD2 4.12Å; V186-L240 HydrophobicContact CG2-CG 4.3Å; V186-L244 HydrophobicContact CG1-CD1 3.7Å
187	A	88.8	Confident	88.6	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-32	-177.6	0	0	0	0	0	113.7	P147 I148 I183 S184 A190 D191 Y195	P147-A187 HydrophobicContact CB-CB 3.79Å; P147-A187 HydrophobicContact CG-CB 3.84Å; I148-A187 HydrophobicContact CG1-CB 4.38Å; I183-A187 VanDerWaalsContact O-CB 3.29Å; I183-A187 WeakPolarHBondContact O-CB 3.48Å; I183-A187 PolarHBondContact O-N 3.33Å; S184-A187 PolarHBondContact O-N 2.97Å; A187-A190 CarbonylContact O-C 3.5Å; A187-D191 PolarHBondContact O-N 2.86Å; A187-Y195 VanDerWaalsContact CA-CZ 3.46Å; A187-Y195 HydrophobicContact CB-CD1 3.98Å; A187-Y195 HydrophobicContact CB-CD2 3.41Å; A187-Y195 VanDerWaalsContact CB-CD2 3.41Å; A187-Y195 HydrophobicContact CB-CE1 3.98Å; A187-Y195 HydrophobicContact CB-CE2 3.41Å; A187-Y195 VanDerWaalsContact CB-CE2 3.41Å; A187-Y195 HydrophobicContact CB-CG 3.71Å
188	E	78.8	Confident	89	Confident	32 Å²	32	34.5 Å²	34.5	15%	0.15	17%	0.17	C	C	.	.	H	α-helix	trans	-76.7	-30.4	175.7	-73.5	162.2	-133.4	0	0	113.9	R113 P147 S184 V186	R113-E188 IonicContact CZ-OE1 3.81Å; R113-E188 IonicContact CZ-OE2 3.88Å; R113-E188 IonicContact NE-OE2 2.68Å; R113-E188 PolarHBondContact NE-OE2 2.89Å; R113-E188 IonicContact NH1-OE1 2.82Å; R113-E188 PolarHBondContact NH1-OE1 2.66Å; R113-E188 IonicContact NH1-OE2 2.72Å; R113-E188 PolarHBondContact NH1-OE2 2.87Å; R113-E188 IonicContact NH2-OE1 2.78Å; R113-E188 PolarHBondContact NH2-OE1 2.83Å; R113-E188 IonicContact NH2-OE2 3.97Å; R113-E188 PolarHBondContact NH2-OE2 2.8Å; P147-E188 HydrophobicContact CB-CG 4.18Å; P147-E188 HydrophobicContact CG-CG 3.94Å; S184-E188 WeakPolarHBondContact O-CG 3.22Å; S184-E188 PolarHBondContact O-N 3.31Å; S184-E188 VanDerWaalsContact O-N 3.13Å; V186-E188 VanDerWaalsContact C-N 3.26Å; V186-E188 PolarHBondContact O-N 3.03Å
189	Q	77.8	Confident	89.1	Confident	81 Å²	81	30.2 Å²	30.2	38%	0.379	15%	0.15	S	C	.	.	H	α-helix	trans	-77.2	-30	176.5	-68.7	-179.6	-18.3	0	0	111.5	T185 V186	T185-Q189 WeakPolarHBondContact O-CG 3.1Å; T185-Q189 PolarHBondContact O-N 3.4Å; V186-Q189 PolarHBondContact O-N 2.95Å; V186-Q189 VanDerWaalsContact O-N 3.1Å
190	A	82.2	Confident	89.2	Confident	13 Å²	13	32 Å²	32	11%	0.107	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	56	177.3	0	0	0	0	0	111.2	V186 A187 H192 I193 Y195	V186-A190 PolarHBondContact O-N 2.87Å; A187-A190 CarbonylContact O-C 3.5Å; A190-H192 PolarHBondContact O-N 2.88Å; A190-I193 HydrophobicContact CB-CD1 4.18Å; A190-I193 HydrophobicContact CB-CG1 4.42Å; A190-I193 PolarHBondContact O-N 3.09Å; A190-Y195 WeakPolarHBondContact CB-OH 3.3Å
191	D	77	Confident	89.3	Confident	86 Å²	86	38.6 Å²	38.6	46%	0.46	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-3.5	-175	64.5	-4.7	0	0	0	115.5	K143 A187 I193	K143-D191 IonicContact NZ-OD2 3.77Å; K143-D191 PolarHBondContact NZ-OD2 3.5Å; A187-D191 PolarHBondContact O-N 2.86Å; D191-I193 VanDerWaalsContact C-N 3.27Å
192	H	79.8	Confident	89.6	Confident	65 Å²	65	36.2 Å²	36.2	30%	0.301	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-9.5	169.3	62	-79.4	0	0	0	113	A190 Y262	A190-H192 PolarHBondContact O-N 2.88Å; H192-Y262 AromaticContact CE1-CD1 3.8Å; H192-Y262 AromaticContact CE1-CG 3.86Å; H192-Y262 AromaticContact ND1-CD1 3.58Å; H192-Y262 AromaticContact ND1-CE1 3.53Å; H192-Y262 AromaticContact ND1-CG 3.98Å; H192-Y262 AromaticContact ND1-CZ 3.91Å
193	I	89.3	Confident	89.8	Confident	7 Å²	7	34.8 Å²	34.8	4%	0.036	18%	0.181	C	C	.	.	S	Bend	trans	-100.6	131.1	175.7	-51.7	-176.8	0	0	0	108.6	L166 A168 A190 D191 Y195 L244	L166-I193 HydrophobicContact CD2-CG1 3.8Å; L166-I193 HydrophobicContact CG-CB 4.47Å; L166-I193 HydrophobicContact CG-CG1 4Å; L166-I193 HydrophobicContact CG-CG2 4.4Å; A168-I193 HydrophobicContact CB-CG2 3.71Å; A190-I193 HydrophobicContact CB-CD1 4.18Å; A190-I193 HydrophobicContact CB-CG1 4.42Å; A190-I193 PolarHBondContact O-N 3.09Å; D191-I193 VanDerWaalsContact C-N 3.27Å; I193-Y195 HydrophobicContact CB-CD2 4.38Å; I193-Y195 HydrophobicContact CB-CE1 4.48Å; I193-Y195 HydrophobicContact CB-CE2 3.59Å; I193-Y195 HydrophobicContact CG2-CD2 4.42Å; I193-Y195 HydrophobicContact CG2-CE1 4.1Å; I193-Y195 HydrophobicContact CG2-CE2 3.94Å; I193-Y195 WeakPolarHBondContact O-CD2 3.5Å; I193-Y195 WeakPolarHBondContact O-CE2 3.2Å; I193-L244 HydrophobicContact CD1-CB 4.19Å; I193-L244 HydrophobicContact CD1-CD2 4.36Å
194	A	91.1	Very high	90.1	Very high	18 Å²	18	35.4 Å²	35.4	15%	0.149	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	123	171.6	0	0	0	0	0	110	F160 N164 L166 I167 A168	F160-A194 HydrophobicContact CE2-CB 4Å; F160-A194 HydrophobicContact CZ-CB 3.72Å; N164-A194 HydrophobicContact CB-CB 3.72Å; N164-A194 WeakPolarHBondContact OD1-CB 3.44Å; L166-A194 PolarHBondContact O-N 2.85Å; I167-A194 CarbonylContact C-O 3.44Å; I167-A194 WeakPolarHBondContact CA-O 3.22Å; A168-A194 PolarHBondContact N-O 2.88Å
195	Y	95.4	Very high	90.4	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.6	-178	-63	-93.4	0	0	0	112.4	I148 K149 F160 A168 I170 A187 A190 I193 L244	I148-Y195 WeakPolarHBondContact CA-O 3.24Å; K149-Y195 PolarHBondContact N-O 3.45Å; F160-Y195 WeakPolarHBondContact CZ-O 3.34Å; A168-Y195 HydrophobicContact CB-CD1 3.64Å; A168-Y195 HydrophobicContact CB-CE1 3.74Å; A168-Y195 HydrophobicContact CB-CG 4.5Å; A168-Y195 CarbonylContact O-C 3.58Å; A168-Y195 WeakPolarHBondContact O-CA 3.32Å; I170-Y195 HydrophobicContact CD1-CD1 4.17Å; A187-Y195 VanDerWaalsContact CA-CZ 3.46Å; A187-Y195 HydrophobicContact CB-CD1 3.98Å; A187-Y195 HydrophobicContact CB-CD2 3.41Å; A187-Y195 VanDerWaalsContact CB-CD2 3.41Å; A187-Y195 HydrophobicContact CB-CE1 3.98Å; A187-Y195 HydrophobicContact CB-CE2 3.41Å; A187-Y195 VanDerWaalsContact CB-CE2 3.41Å; A187-Y195 HydrophobicContact CB-CG 3.71Å; A190-Y195 WeakPolarHBondContact CB-OH 3.3Å; I193-Y195 HydrophobicContact CB-CD2 4.38Å; I193-Y195 HydrophobicContact CB-CE1 4.48Å; I193-Y195 HydrophobicContact CB-CE2 3.59Å; I193-Y195 HydrophobicContact CG2-CD2 4.42Å; I193-Y195 HydrophobicContact CG2-CE1 4.1Å; I193-Y195 HydrophobicContact CG2-CE2 3.94Å; I193-Y195 WeakPolarHBondContact O-CD2 3.5Å; I193-Y195 WeakPolarHBondContact O-CE2 3.2Å; Y195-L244 HydrophobicContact CE1-CD1 3.78Å
196	G	96.4	Very high	90.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.4	173.7	0	0	0	0	0	110.8	K149 A168 I169 I170	K149-G196 CarbonylContact O-C 3.44Å; K149-G196 VanDerWaalsContact O-CA 3.27Å; K149-G196 WeakPolarHBondContact O-CA 3.35Å; A168-G196 PolarHBondContact O-N 3.23Å; I169-G196 CarbonylContact C-O 3.57Å; I169-G196 WeakPolarHBondContact CA-O 3.45Å; I170-G196 WeakPolarHBondContact CB-O 2.95Å; I170-G196 PolarHBondContact N-O 2.98Å
197	L	97.4	Very high	91.1	Very high	14 Å²	14	46.3 Å²	46.3	7%	0.073	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.7	173.6	176.3	66	0	0	0	109.9	I148 K149 L150 L151 I170 M172 M180 Y199	I148-L197 HydrophobicContact CG2-CB 3.57Å; K149-L197 PolarHBondContact O-N 2.59Å; L150-L197 HydrophobicContact CD1-CB 4.43Å; L150-L197 HydrophobicContact CD1-CD2 4.29Å; L150-L197 HydrophobicContact CD1-CG 4.23Å; L150-L197 WeakPolarHBondContact CD1-O 3.48Å; L151-L197 PolarHBondContact N-O 3.1Å; I170-L197 HydrophobicContact CB-CD1 4.1Å; I170-L197 HydrophobicContact CG2-CD1 3.76Å; I170-L197 CarbonylContact O-C 3.54Å; I170-L197 WeakPolarHBondContact O-CA 3.34Å; M172-L197 HydrophobicContact CB-CD1 4.2Å; M172-L197 HydrophobicContact CG-CD1 3.85Å; M180-L197 HydrophobicContact CE-CD1 4.23Å; M180-L197 HydrophobicContact CE-CD2 3.62Å; M180-L197 HydrophobicContact CE-CG 4.49Å; M180-L197 HydrophobicContact SD-CD1 4.01Å; M180-L197 HydrophobicContact SD-CD2 4.16Å; L197-Y199 HydrophobicContact CD1-CE2 4.27Å; L197-Y199 HydrophobicContact CD2-CE2 3.55Å; L197-Y199 HydrophobicContact CG-CD2 4.37Å; L197-Y199 HydrophobicContact CG-CE2 3.75Å
198	V	97.8	Very high	91.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128	-176.3	172.4	0	0	0	0	109.5	L151 I169 I170 F171 M172 I203 F204	L151-V198 HydrophobicContact CB-CG2 3.97Å; L151-V198 HydrophobicContact CD1-CG2 4.1Å; I169-V198 HydrophobicContact CG2-CB 4.43Å; I169-V198 HydrophobicContact CG2-CG2 3.6Å; I170-V198 PolarHBondContact O-N 3.04Å; F171-V198 HydrophobicContact CD1-CB 4Å; F171-V198 HydrophobicContact CD1-CG1 3.85Å; F171-V198 HydrophobicContact CE1-CB 4.16Å; F171-V198 HydrophobicContact CE1-CG1 3.91Å; F171-V198 HydrophobicContact CE1-CG2 4.37Å; M172-V198 PolarHBondContact N-O 2.91Å; V198-I203 HydrophobicContact CG1-CB 3.65Å; V198-I203 HydrophobicContact CG1-CD1 4.1Å; V198-I203 HydrophobicContact CG1-CG1 4.4Å; V198-I203 HydrophobicContact CG1-CG2 3.76Å; V198-I203 HydrophobicContact CG2-CD1 4.42Å; V198-I203 HydrophobicContact CG2-CG2 4Å; V198-F204 HydrophobicContact CG1-CD2 3.95Å; V198-F204 HydrophobicContact CG1-CE2 3.97Å
199	Y	96.4	Very high	92.1	Very high	67 Å²	67	54 Å²	54	26%	0.263	27%	0.267	S	S	.	.			trans	-113	-12	166.5	-63.6	-75.7	0	0	0	112.8	L150 M172 L197 E201	L150-Y199 HydrophobicContact CD1-CD2 3.77Å; L150-Y199 HydrophobicContact CD1-CE2 3.98Å; M172-Y199 HydrophobicContact CB-CD1 3.91Å; M172-Y199 HydrophobicContact CB-CE1 3.43Å; M172-Y199 VanDerWaalsContact CB-CE1 3.43Å; M172-Y199 WeakPolarHBondContact O-CA 3.47Å; M172-Y199 WeakPolarHBondContact O-CD1 3.26Å; L197-Y199 HydrophobicContact CD1-CE2 4.27Å; L197-Y199 HydrophobicContact CD2-CE2 3.55Å; L197-Y199 HydrophobicContact CG-CD2 4.37Å; L197-Y199 HydrophobicContact CG-CE2 3.75Å; Y199-E201 PolarHBondContact O-N 3.16Å
200	N	94.6	Very high	92.7	Very high	59 Å²	59	55.1 Å²	55.1	32%	0.316	28%	0.279	S	S	.	.			trans	-80	117.8	-171.5	-178.5	-35.4	0	0	0	111.1	R152 T202 I203 F204	R152-N200 PolarHBondContact O-ND2 3.06Å; N200-T202 VanDerWaalsContact C-N 3.28Å; N200-T202 PolarHBondContact O-N 2.9Å; N200-T202 VanDerWaalsContact OD1-CB 3.27Å; N200-T202 WeakPolarHBondContact OD1-CB 3.49Å; N200-T202 PolarHBondContact OD1-N 3.49Å; N200-T202 PolarHBondContact OD1-OG1 3.34Å; N200-I203 HydrophobicContact CB-CD1 3.83Å; N200-I203 HydrophobicContact CB-CG1 3.98Å; N200-I203 WeakPolarHBondContact O-CB 3.33Å; N200-I203 PolarHBondContact O-N 3.43Å; N200-F204 WeakPolarHBondContact O-CD2 3.46Å; N200-F204 PolarHBondContact O-N 3.27Å
201	E	94.7	Very high	93.2	Very high	157 Å²	157	59.2 Å²	59.2	73%	0.734	30%	0.299	S	S	*	.	H	α-helix	trans	-56.3	-34.6	-179	-64.5	-177.4	167.1	0	0	113.9	Y199 I203 F204 D205	Y199-E201 PolarHBondContact O-N 3.16Å; E201-I203 PolarHBondContact O-N 3.48Å; E201-F204 WeakPolarHBondContact O-CA 3.45Å; E201-F204 VanDerWaalsContact O-CB 3.27Å; E201-F204 WeakPolarHBondContact O-CB 3.35Å; E201-F204 PolarHBondContact O-N 3.14Å; E201-F204 VanDerWaalsContact O-N 3.1Å; E201-D205 PolarHBondContact O-N 3.27Å
202	T	95.9	Very high	94	Very high	92 Å²	92	58.1 Å²	58.1	56%	0.564	29%	0.292	S	S	*	.	H	α-helix	trans	-61.8	-33.7	176.2	-52.2	0	0	0	0	112	N200 H206	N200-T202 VanDerWaalsContact C-N 3.28Å; N200-T202 PolarHBondContact O-N 2.9Å; N200-T202 VanDerWaalsContact OD1-CB 3.27Å; N200-T202 WeakPolarHBondContact OD1-CB 3.49Å; N200-T202 PolarHBondContact OD1-N 3.49Å; N200-T202 PolarHBondContact OD1-OG1 3.34Å; T202-H206 PolarHBondContact O-N 2.63Å; T202-H206 VanDerWaalsContact O-N 3.16Å
203	I	96.9	Very high	94.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-75.8	-37.9	176.7	-52.3	176.8	0	0	0	109.7	M154 T157 F171 V198 N200 E201 D205 H206 F207	M154-I203 HydrophobicContact CG-CG1 4.35Å; M154-I203 HydrophobicContact SD-CB 4.18Å; M154-I203 HydrophobicContact SD-CG1 3.85Å; M154-I203 HydrophobicContact SD-CG2 4.13Å; T157-I203 HydrophobicContact CG2-CG2 4.23Å; F171-I203 HydrophobicContact CE1-CG2 4.07Å; V198-I203 HydrophobicContact CG1-CB 3.65Å; V198-I203 HydrophobicContact CG1-CD1 4.1Å; V198-I203 HydrophobicContact CG1-CG1 4.4Å; V198-I203 HydrophobicContact CG1-CG2 3.76Å; V198-I203 HydrophobicContact CG2-CD1 4.42Å; V198-I203 HydrophobicContact CG2-CG2 4Å; N200-I203 HydrophobicContact CB-CD1 3.83Å; N200-I203 HydrophobicContact CB-CG1 3.98Å; N200-I203 WeakPolarHBondContact O-CB 3.33Å; N200-I203 PolarHBondContact O-N 3.43Å; E201-I203 PolarHBondContact O-N 3.48Å; I203-D205 VanDerWaalsContact C-N 3.34Å; I203-D205 PolarHBondContact O-N 3.19Å; I203-H206 PolarHBondContact O-N 3.01Å; I203-F207 HydrophobicContact CG2-CD2 3.96Å; I203-F207 HydrophobicContact CG2-CE2 3.98Å; I203-F207 WeakPolarHBondContact O-CD2 3.32Å; I203-F207 PolarHBondContact O-N 2.69Å
204	F	97.1	Very high	95.2	Very high	13 Å²	13	55 Å²	55	6%	0.057	28%	0.277	C	S	.	.	H	α-helix	trans	-54.2	-50.7	171	-86.1	-111.5	0	0	0	111.2	F171 M172 V198 N200 E201 H206 F207 K208 I209	F171-F204 HydrophobicContact CB-CD1 4.41Å; F171-F204 HydrophobicContact CB-CE1 3.76Å; F171-F204 HydrophobicContact CB-CE2 4.08Å; F171-F204 HydrophobicContact CB-CZ 3.57Å; F171-F204 HydrophobicContact CD1-CD1 4.14Å; F171-F204 AromaticContact CD1-CD2 3.69Å; F171-F204 HydrophobicContact CD1-CD2 3.69Å; F171-F204 HydrophobicContact CD1-CE1 4.24Å; F171-F204 AromaticContact CD1-CE2 3.8Å; F171-F204 HydrophobicContact CD1-CE2 3.8Å; F171-F204 AromaticContact CD1-CG 3.87Å; F171-F204 HydrophobicContact CD1-CG 3.87Å; F171-F204 HydrophobicContact CD1-CZ 4.08Å; F171-F204 HydrophobicContact CE1-CD2 4.42Å; F171-F204 HydrophobicContact CG-CE1 4.47Å; F171-F204 HydrophobicContact CG-CE2 4.45Å; F171-F204 HydrophobicContact CG-CZ 4.35Å; M172-F204 WeakPolarHBondContact O-CZ 3.2Å; V198-F204 HydrophobicContact CG1-CD2 3.95Å; V198-F204 HydrophobicContact CG1-CE2 3.97Å; N200-F204 WeakPolarHBondContact O-CD2 3.46Å; N200-F204 PolarHBondContact O-N 3.27Å; E201-F204 WeakPolarHBondContact O-CA 3.45Å; E201-F204 VanDerWaalsContact O-CB 3.27Å; E201-F204 WeakPolarHBondContact O-CB 3.35Å; E201-F204 PolarHBondContact O-N 3.14Å; E201-F204 VanDerWaalsContact O-N 3.1Å; F204-H206 PolarHBondContact O-N 3.11Å; F204-F207 CarbonylContact O-C 3.38Å; F204-F207 PolarHBondContact O-N 2.82Å; F204-K208 PolarHBondContact O-N 2.71Å; F204-I209 WeakPolarHBondContact CB-O 3.48Å; F204-I209 HydrophobicContact CD1-CB 4.37Å; F204-I209 HydrophobicContact CD1-CG2 3.82Å; F204-I209 WeakPolarHBondContact CD1-O 3.42Å; F204-I209 HydrophobicContact CE1-CG2 4.1Å; F204-I209 PolarHBondContact O-N 3.16Å
205	D	95.8	Very high	95.4	Very high	119 Å²	119	54.4 Å²	54.4	64%	0.636	27%	0.272	S	S	*	.	H	α-helix	trans	-61.7	-43.2	-179.3	-71.2	-24.6	0	0	0	112.5	E201 I203 F207 K208	E201-D205 PolarHBondContact O-N 3.27Å; I203-D205 VanDerWaalsContact C-N 3.34Å; I203-D205 PolarHBondContact O-N 3.19Å; D205-F207 VanDerWaalsContact C-N 3.3Å; D205-F207 PolarHBondContact O-N 3.46Å; D205-K208 PolarHBondContact O-N 3.44Å
206	H	95	Very high	95.4	Very high	108 Å²	108	54.3 Å²	54.3	50%	0.5	27%	0.271	S	S	.	.	H	α-helix	trans	-56.7	-43.1	177.6	176.5	-88.1	0	0	0	112.3	M154 T202 I203 F204 K208	M154-H206 HydrophobicContact CE-CB 4.12Å; M154-H206 VanDerWaalsContact CE-CG 3.47Å; M154-H206 HydrophobicContact SD-CB 3.89Å; T202-H206 PolarHBondContact O-N 2.63Å; T202-H206 VanDerWaalsContact O-N 3.16Å; I203-H206 PolarHBondContact O-N 3.01Å; F204-H206 PolarHBondContact O-N 3.11Å; H206-K208 VanDerWaalsContact C-N 3.3Å
207	F	94.5	Very high	95.2	Very high	37 Å²	37	54.4 Å²	54.4	16%	0.162	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	4.1	177.8	-71	-79	0	0	0	113.7	T157 I161 F171 I203 F204 D205 I209 L215	T157-F207 HydrophobicContact CG2-CE2 3.8Å; T157-F207 HydrophobicContact CG2-CZ 4.13Å; I161-F207 HydrophobicContact CD1-CE1 4.05Å; I161-F207 HydrophobicContact CD1-CE2 4.49Å; I161-F207 HydrophobicContact CD1-CZ 3.48Å; I161-F207 VanDerWaalsContact CD1-CZ 3.48Å; F171-F207 HydrophobicContact CE1-CB 4.43Å; F171-F207 HydrophobicContact CE1-CD2 4.23Å; F171-F207 HydrophobicContact CZ-CB 4.01Å; F171-F207 AromaticContact CZ-CD2 3.75Å; F171-F207 HydrophobicContact CZ-CD2 3.75Å; F171-F207 AromaticContact CZ-CG 3.99Å; F171-F207 HydrophobicContact CZ-CG 3.99Å; I203-F207 HydrophobicContact CG2-CD2 3.96Å; I203-F207 HydrophobicContact CG2-CE2 3.98Å; I203-F207 WeakPolarHBondContact O-CD2 3.32Å; I203-F207 PolarHBondContact O-N 2.69Å; F204-F207 CarbonylContact O-C 3.38Å; F204-F207 PolarHBondContact O-N 2.82Å; D205-F207 VanDerWaalsContact C-N 3.3Å; D205-F207 PolarHBondContact O-N 3.46Å; F207-I209 HydrophobicContact CB-CD1 3.88Å; F207-I209 HydrophobicContact CB-CG1 4.17Å; F207-I209 PolarHBondContact O-N 3.12Å; F207-L215 HydrophobicContact CB-CD2 4.37Å; F207-L215 HydrophobicContact CD1-CD2 3.44Å; F207-L215 VanDerWaalsContact CD1-CD2 3.44Å; F207-L215 HydrophobicContact CE1-CD2 3.95Å; F207-L215 HydrophobicContact CG-CD2 3.99Å
208	K	94.3	Very high	94.8	Very high	187 Å²	187	54.4 Å²	54.4	81%	0.813	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	36.9	-176.8	-55.1	177.8	-179	175.6	0	112.8	F204 D205 H206	F204-K208 PolarHBondContact O-N 2.71Å; D205-K208 PolarHBondContact O-N 3.44Å; H206-K208 VanDerWaalsContact C-N 3.3Å
209	I	94.6	Very high	94.2	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.036	29%	0.285	C	S	.	.			trans	-101.6	128.1	178.6	-70.1	171	0	0	0	108.5	F171 F204 F207 N211 S213 L215 I230	F171-I209 HydrophobicContact CB-CG2 4.01Å; F171-I209 HydrophobicContact CD1-CB 4.43Å; F171-I209 HydrophobicContact CD1-CD1 4.15Å; F171-I209 HydrophobicContact CD1-CG2 4.23Å; F171-I209 HydrophobicContact CD2-CD1 3.42Å; F171-I209 VanDerWaalsContact CD2-CD1 3.42Å; F171-I209 HydrophobicContact CE1-CD1 4.02Å; F171-I209 HydrophobicContact CE2-CD1 3.27Å; F171-I209 HydrophobicContact CG-CD1 3.87Å; F171-I209 HydrophobicContact CG-CG2 4.01Å; F171-I209 HydrophobicContact CZ-CD1 3.6Å; F204-I209 WeakPolarHBondContact CB-O 3.48Å; F204-I209 HydrophobicContact CD1-CB 4.37Å; F204-I209 HydrophobicContact CD1-CG2 3.82Å; F204-I209 WeakPolarHBondContact CD1-O 3.42Å; F204-I209 HydrophobicContact CE1-CG2 4.1Å; F204-I209 PolarHBondContact O-N 3.16Å; F207-I209 HydrophobicContact CB-CD1 3.88Å; F207-I209 HydrophobicContact CB-CG1 4.17Å; F207-I209 PolarHBondContact O-N 3.12Å; I209-N211 WeakPolarHBondContact CG2-O 3.48Å; I209-S213 WeakPolarHBondContact CG2-OG 3.1Å; I209-L215 HydrophobicContact CD1-CB 4.14Å; I209-L215 HydrophobicContact CD1-CD2 4.44Å; I209-I230 HydrophobicContact CG1-CD1 4.37Å
210	T	90.6	Very high	93.1	Very high	105 Å²	105	60.8 Å²	60.8	64%	0.644	30%	0.302	S	S	*	.			trans	-111.9	-21.2	-177.9	53.6	0	0	0	0	113.5	K173	K173-T210 WeakPolarHBondContact CE-O 3.49Å; K173-T210 PolarHBondContact NZ-O 2.76Å
211	N	92.1	Very high	91.7	Very high	99 Å²	99	59.2 Å²	59.2	53%	0.529	30%	0.296	S	S	.	.	S	Bend	trans	-122.7	162.3	-175.9	-69.4	-34.9	0	0	0	110.9	I209 S213	I209-N211 WeakPolarHBondContact CG2-O 3.48Å; N211-S213 PolarHBondContact O-N 3.04Å; N211-S213 PolarHBondContact O-OG 2.96Å
212	Q	94.2	Very high	90.2	Very high	63 Å²	63	54.6 Å²	54.6	29%	0.294	27%	0.274	S	S	.	.	S	Bend	trans	-57.8	124.3	172.2	-62.3	-174.8	-14.3	0	0	109.2	F171 M172 K173	F171-Q212 WeakPolarHBondContact O-CA 3.33Å; M172-Q212 HydrophobicContact SD-CB 4.26Å; M172-Q212 HydrophobicContact SD-CG 4.25Å; K173-Q212 HydrophobicContact CB-CG 4.41Å; K173-Q212 HydrophobicContact CG-CG 4.13Å
213	S	96.7	Very high	88.4	Confident	5 Å²	5	55.1 Å²	55.1	4%	0.035	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	166.6	-174.5	56.6	0	0	0	0	110.8	F171 I209 N211 Y231	F171-S213 PolarHBondContact N-O 3.03Å; F171-S213 PolarHBondContact O-N 3.29Å; F171-S213 VanDerWaalsContact O-N 3.14Å; I209-S213 WeakPolarHBondContact CG2-OG 3.1Å; N211-S213 PolarHBondContact O-N 3.04Å; N211-S213 PolarHBondContact O-OG 2.96Å; S213-Y231 CarbonylContact C-O 3.59Å; S213-Y231 WeakPolarHBondContact CA-O 3.46Å; S213-Y231 VanDerWaalsContact CB-O 3.24Å; S213-Y231 WeakPolarHBondContact CB-O 3.28Å
214	L	97	Very high	86.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123	169.2	-179.5	157.4	0	0	0	108.7	A168 I169 I170 L216 I230 Y231 W235 L240 Y243 L244	A168-L214 HydrophobicContact CB-CD1 4.13Å; A168-L214 HydrophobicContact CB-CD2 4.07Å; A168-L214 HydrophobicContact CB-CG 4.22Å; I169-L214 CarbonylContact O-C 3.55Å; I169-L214 WeakPolarHBondContact O-CA 3.28Å; I170-L214 HydrophobicContact CG1-CD1 4.05Å; I170-L214 HydrophobicContact CG1-CG 4.39Å; L214-L216 HydrophobicContact CD2-CB 4.1Å; L214-I230 WeakPolarHBondContact O-CA 3.44Å; L214-Y231 PolarHBondContact N-O 3.12Å; L214-Y231 PolarHBondContact O-N 2.83Å; L214-W235 HydrophobicContact CB-CH2 4.02Å; L214-W235 HydrophobicContact CB-CZ3 4.34Å; L214-L240 HydrophobicContact CD1-CD1 3.78Å; L214-Y243 HydrophobicContact CD2-CE1 4.2Å; L214-L244 HydrophobicContact CD1-CD1 4.2Å; L214-L244 HydrophobicContact CD1-CD2 4.06Å; L214-L244 HydrophobicContact CD1-CG 4.46Å; L214-L244 HydrophobicContact CD2-CD2 3.82Å
215	L	96.3	Very high	85.6	Confident	6 Å²	6	68.7 Å²	68.7	3%	0.031	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	113.4	170.2	177.6	63.2	0	0	0	109	A168 I169 F171 F207 I209 I217 H228 L229 I230	A168-L215 CarbonylContact C-O 3.57Å; A168-L215 WeakPolarHBondContact CA-O 3.14Å; I169-L215 HydrophobicContact CB-CB 4.43Å; I169-L215 PolarHBondContact N-O 3.13Å; I169-L215 PolarHBondContact O-N 2.8Å; F171-L215 HydrophobicContact CD2-CB 4.35Å; F171-L215 HydrophobicContact CE2-CB 3.78Å; F171-L215 HydrophobicContact CE2-CD2 4.27Å; F207-L215 HydrophobicContact CB-CD2 4.37Å; F207-L215 HydrophobicContact CD1-CD2 3.44Å; F207-L215 VanDerWaalsContact CD1-CD2 3.44Å; F207-L215 HydrophobicContact CE1-CD2 3.95Å; F207-L215 HydrophobicContact CG-CD2 3.99Å; I209-L215 HydrophobicContact CD1-CB 4.14Å; I209-L215 HydrophobicContact CD1-CD2 4.44Å; L215-I217 HydrophobicContact CD1-CG1 4.49Å; L215-I217 HydrophobicContact CD2-CD1 3.91Å; L215-I217 HydrophobicContact CD2-CG1 4.05Å; L215-I217 HydrophobicContact CG-CD1 4.26Å; L215-I217 HydrophobicContact CG-CG1 3.86Å; L215-H228 HydrophobicContact CD1-CB 4.18Å; L215-L229 WeakPolarHBondContact CA-O 3.37Å; L215-I230 HydrophobicContact CD1-CG1 4.07Å
216	L	94.7	Very high	84.3	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125	170.5	-176.1	69.5	0	0	0	108.7	L166 I167 A168 L214 H228 L229 L244 E247	L166-L216 HydrophobicContact CD1-CD1 4.08Å; I167-L216 CarbonylContact O-C 3.48Å; I167-L216 WeakPolarHBondContact O-CA 3.09Å; A168-L216 HydrophobicContact CB-CD1 4.44Å; L214-L216 HydrophobicContact CD2-CB 4.1Å; L216-H228 WeakPolarHBondContact O-CA 3.45Å; L216-L229 HydrophobicContact CB-CB 4.49Å; L216-L229 PolarHBondContact N-O 3.36Å; L216-L229 PolarHBondContact O-N 3.36Å; L216-L244 HydrophobicContact CD1-CD2 3.97Å; L216-E247 VanDerWaalsContact CD2-C 3.45Å; L216-E247 HydrophobicContact CD2-CB 3.59Å; L216-E247 WeakPolarHBondContact CD2-O 3.08Å
217	I	92.4	Very high	83.5	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.015	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122	176.9	-53.8	173.9	0	0	0	107.8	I161 I167 I169 L215 P226 F227	I161-I217 HydrophobicContact CD1-CD1 4.02Å; I161-I217 HydrophobicContact CG1-CD1 4.19Å; I167-I217 HydrophobicContact CB-CB 4.21Å; I167-I217 HydrophobicContact CD1-CB 4.41Å; I167-I217 HydrophobicContact CD1-CG2 4.38Å; I167-I217 PolarHBondContact N-O 3.23Å; I167-I217 PolarHBondContact O-N 2.74Å; I169-I217 HydrophobicContact CD1-CD1 4.09Å; L215-I217 HydrophobicContact CD1-CG1 4.49Å; L215-I217 HydrophobicContact CD2-CD1 3.91Å; L215-I217 HydrophobicContact CD2-CG1 4.05Å; L215-I217 HydrophobicContact CG-CD1 4.26Å; L215-I217 HydrophobicContact CG-CG1 3.86Å; I217-P226 HydrophobicContact CG2-CB 4.47Å; I217-F227 WeakPolarHBondContact CA-O 2.94Å
218	R	88.6	Confident	83.1	Confident	13 Å²	13	67.5 Å²	67.5	5%	0.049	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	112.5	169	-165.3	-178.3	64.4	-151.5	-0.5	109	L166 E220 E222 P226 F227 S248 L249 P250	L166-R218 HydrophobicContact CD1-CB 4.17Å; L166-R218 HydrophobicContact CD1-CG 4.08Å; R218-E220 WeakPolarHBondContact CD-O 3.37Å; R218-E220 WeakPolarHBondContact CG-O 3.2Å; R218-E220 PolarHBondContact NE-O 3.37Å; R218-E222 IonicContact CZ-OE2 3.92Å; R218-E222 IonicContact NH2-OE1 2.64Å; R218-E222 IonicContact NH2-OE2 3.12Å; R218-E222 PolarHBondContact NH2-OE2 3.35Å; R218-P226 WeakPolarHBondContact O-CA 3.47Å; R218-F227 HydrophobicContact CB-CB 4.38Å; R218-F227 PolarHBondContact N-O 2.71Å; R218-F227 PolarHBondContact O-N 3.38Å; R218-S248 WeakPolarHBondContact CD-O 3.33Å; R218-L249 PolarHBondContact NH1-O 3.46Å; R218-P250 VanDerWaalsContact NH1-CA 3.33Å; R218-P250 VanDerWaalsContact NH1-N 3.14Å
219	K	85	Confident	82.9	Confident	66 Å²	66	60.7 Å²	60.7	29%	0.287	32%	0.316	S	S	.	.	S	Bend	trans	-68.2	-43.6	179.2	-71.3	-171.4	-178.7	160.3	0	112.2	I161 I162 N164 N165 S221	I161-K219 WeakPolarHBondContact O-CE 3.43Å; I161-K219 PolarHBondContact O-NZ 3.42Å; I162-K219 VanDerWaalsContact C-NZ 3.26Å; I162-K219 PolarHBondContact O-NZ 3.13Å; N164-K219 WeakPolarHBondContact O-CD 3.32Å; N164-K219 WeakPolarHBondContact O-CE 3.49Å; N164-K219 PolarHBondContact O-NZ 3.13Å; N165-K219 PolarHBondContact O-N 2.99Å; K219-S221 PolarHBondContact O-N 3.12Å
220	E	73.9	Confident	82.8	Confident	136 Å²	136	65.2 Å²	65.2	64%	0.636	34%	0.339	S	S	*	.	S	Bend	trans	-81.2	95.6	173.9	-68.1	176.4	-156.1	0	0	107.8	N165 R218	N165-E220 PolarHBondContact ND2-OE1 3.42Å; R218-E220 WeakPolarHBondContact CD-O 3.37Å; R218-E220 WeakPolarHBondContact CG-O 3.2Å; R218-E220 PolarHBondContact NE-O 3.37Å
221	S	64.7	Low	82.9	Confident	26 Å²	26	61.5 Å²	61.5	18%	0.182	31%	0.314	C	S	.	.			trans	-114.5	162.3	174.6	105.8	0	0	0	0	110.4	K219 D223 E225	K219-S221 PolarHBondContact O-N 3.12Å; S221-D223 PolarHBondContact O-N 3.45Å; S221-D223 PolarHBondContact OG-N 3.06Å; S221-D223 PolarHBondContact OG-O 3.15Å; S221-E225 PolarHBondContact OG-O 3.48Å
222	E	64.2	Low	82.8	Confident	60 Å²	60	61.3 Å²	61.3	28%	0.28	32%	0.32	S	S	.	.	S	Bend	trans	-65.6	-18	172.6	-61.1	92.9	159.8	0	0	112.4	R218 P250 I251	R218-E222 IonicContact CZ-OE2 3.92Å; R218-E222 IonicContact NH2-OE1 2.64Å; R218-E222 IonicContact NH2-OE2 3.12Å; R218-E222 PolarHBondContact NH2-OE2 3.35Å; E222-P250 VanDerWaalsContact OE1-CA 3.29Å; E222-P250 WeakPolarHBondContact OE1-CA 3.26Å; E222-P250 WeakPolarHBondContact OE1-CB 3.39Å; E222-I251 PolarHBondContact OE1-N 2.9Å
223	D	57.4	Low	82.6	Confident	102 Å²	102	59.9 Å²	59.9	55%	0.545	32%	0.322	S	S	.	.	S	Bend	trans	-100.7	155.8	176	-58	-47.9	0	0	0	109.7	S221 E225	S221-D223 PolarHBondContact O-N 3.45Å; S221-D223 PolarHBondContact OG-N 3.06Å; S221-D223 PolarHBondContact OG-O 3.15Å; D223-E225 PolarHBondContact O-N 3.2Å
224	T	63.4	Low	82.4	Confident	154 Å²	154	65 Å²	65	95%	0.945	35%	0.349	S	S	*	.	S	Bend	trans	-65	-10.1	-176.6	49.6	0	0	0	0	114.2
225	E	72.2	Confident	82.3	Confident	144 Å²	144	66.6 Å²	66.6	67%	0.673	36%	0.355	S	S	*	.	S	Bend	trans	-108.5	150.2	179.7	-65.2	-171.3	170.4	0	0	111.6	S221 D223 F227	S221-E225 PolarHBondContact OG-O 3.48Å; D223-E225 PolarHBondContact O-N 3.2Å; E225-F227 PolarHBondContact O-N 3.4Å
226	P	69.5	Low	82.1	Confident	68 Å²	68	68.9 Å²	68.9	44%	0.442	37%	0.368	S	S	.	.			trans	-56.7	135.5	172.4	-22.9	33.2	0	0	0	111.6	I217 R218	I217-P226 HydrophobicContact CG2-CB 4.47Å; R218-P226 WeakPolarHBondContact O-CA 3.47Å
227	F	78.2	Confident	81.8	Confident	66 Å²	66	71.5 Å²	71.5	29%	0.289	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.7	179.6	-168	-112.4	0	0	0	110.2	I217 R218 E225 L229	I217-F227 WeakPolarHBondContact CA-O 2.94Å; R218-F227 HydrophobicContact CB-CB 4.38Å; R218-F227 PolarHBondContact N-O 2.71Å; R218-F227 PolarHBondContact O-N 3.38Å; E225-F227 PolarHBondContact O-N 3.4Å; F227-L229 HydrophobicContact CD1-CD1 4.18Å; F227-L229 HydrophobicContact CD1-CG 3.99Å; F227-L229 HydrophobicContact CE1-CD1 3.35Å; F227-L229 HydrophobicContact CE1-CD2 3.87Å; F227-L229 HydrophobicContact CE1-CG 3.39Å; F227-L229 HydrophobicContact CZ-CD1 4.04Å; F227-L229 HydrophobicContact CZ-CD2 3.82Å; F227-L229 HydrophobicContact CZ-CG 3.89Å
228	H	85.2	Confident	81.7	Confident	106 Å²	106	77.1 Å²	77.1	49%	0.491	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.4	-179.1	-64.5	169.4	0	0	0	110.8	L215 L216	L215-H228 HydrophobicContact CD1-CB 4.18Å; L216-H228 WeakPolarHBondContact O-CA 3.45Å
229	L	89.2	Confident	81.8	Confident	44 Å²	44	78.4 Å²	78.4	23%	0.23	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.8	172.3	-67.8	177	0	0	0	111.5	L215 L216 F227 Y243 E247	L215-L229 WeakPolarHBondContact CA-O 3.37Å; L216-L229 HydrophobicContact CB-CB 4.49Å; L216-L229 PolarHBondContact N-O 3.36Å; L216-L229 PolarHBondContact O-N 3.36Å; F227-L229 HydrophobicContact CD1-CD1 4.18Å; F227-L229 HydrophobicContact CD1-CG 3.99Å; F227-L229 HydrophobicContact CE1-CD1 3.35Å; F227-L229 HydrophobicContact CE1-CD2 3.87Å; F227-L229 HydrophobicContact CE1-CG 3.39Å; F227-L229 HydrophobicContact CZ-CD1 4.04Å; F227-L229 HydrophobicContact CZ-CD2 3.82Å; F227-L229 HydrophobicContact CZ-CG 3.89Å; L229-Y243 WeakPolarHBondContact CB-OH 3.5Å; L229-E247 HydrophobicContact CD1-CB 3.77Å; L229-E247 HydrophobicContact CD1-CG 3.8Å; L229-E247 WeakPolarHBondContact CD1-OE2 3.39Å
230	I	92.4	Very high	82.1	Confident	101 Å²	101	75.3 Å²	75.3	52%	0.518	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.8	175.6	-60.6	174.1	0	0	0	108.6	I209 L214 L215	I209-I230 HydrophobicContact CG1-CD1 4.37Å; L214-I230 WeakPolarHBondContact O-CA 3.44Å; L215-I230 HydrophobicContact CD1-CG1 4.07Å
231	Y	93.4	Very high	82.8	Confident	28 Å²	28	68.9 Å²	68.9	11%	0.11	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.9	170.6	-178.7	-102	0	0	0	110.4	S213 L214 G233 D234 L240 Y243	S213-Y231 CarbonylContact C-O 3.59Å; S213-Y231 WeakPolarHBondContact CA-O 3.46Å; S213-Y231 VanDerWaalsContact CB-O 3.24Å; S213-Y231 WeakPolarHBondContact CB-O 3.28Å; L214-Y231 PolarHBondContact N-O 3.12Å; L214-Y231 PolarHBondContact O-N 2.83Å; Y231-G233 VanDerWaalsContact CZ-CA 3.5Å; Y231-D234 PolarHBondContact OH-N 3.33Å; Y231-D234 VanDerWaalsContact OH-N 3.14Å; Y231-D234 PolarHBondContact OH-O 2.99Å; Y231-L240 HydrophobicContact CD1-CD1 4.27Å; Y231-L240 HydrophobicContact CE1-CD1 4.17Å; Y231-Y243 AromaticContact CD2-CD1 3.84Å; Y231-Y243 HydrophobicContact CD2-CD1 3.84Å; Y231-Y243 AromaticContact CD2-CD2 3.41Å; Y231-Y243 HydrophobicContact CD2-CD2 3.41Å; Y231-Y243 VanDerWaalsContact CD2-CD2 3.41Å; Y231-Y243 HydrophobicContact CD2-CE1 4.15Å; Y231-Y243 AromaticContact CD2-CE2 3.7Å; Y231-Y243 HydrophobicContact CD2-CE2 3.7Å; Y231-Y243 AromaticContact CD2-CG 3.46Å; Y231-Y243 HydrophobicContact CD2-CG 3.46Å; Y231-Y243 VanDerWaalsContact CD2-CG 3.46Å; Y231-Y243 AromaticContact CE2-CD2 3.94Å; Y231-Y243 HydrophobicContact CE2-CD2 3.94Å; Y231-Y243 AromaticContact CE2-CG 3.85Å; Y231-Y243 HydrophobicContact CE2-CG 3.85Å; Y231-Y243 AromaticContact CG-CD1 3.94Å; Y231-Y243 HydrophobicContact CG-CD1 3.94Å; Y231-Y243 HydrophobicContact CG-CD2 4.26Å; Y231-Y243 HydrophobicContact CG-CE1 4.05Å; Y231-Y243 HydrophobicContact CG-CE2 4.31Å; Y231-Y243 HydrophobicContact CG-CG 4.05Å
232	S	89.6	Confident	83.9	Confident	95 Å²	95	68.3 Å²	68.3	66%	0.664	37%	0.371	S	S	*	.			trans	-126.3	26.4	174.8	65.4	0	0	0	0	111.9
233	G	90.9	Very high	85.1	Confident	32 Å²	32	67.1 Å²	67.1	33%	0.33	36%	0.364	S	S	.	.	S	Bend	trans	-86.8	-160.5	179.3	0	0	0	0	0	113.3	Y231	Y231-G233 VanDerWaalsContact CZ-CA 3.5Å
234	D	92.5	Very high	86.7	Confident	113 Å²	113	62.3 Å²	62.3	60%	0.604	34%	0.339	S	S	*	.			trans	-70.4	129.3	-178	-65.8	-35.6	0	0	0	113.7	Y231 N236	Y231-D234 PolarHBondContact OH-N 3.33Å; Y231-D234 VanDerWaalsContact OH-N 3.14Å; Y231-D234 PolarHBondContact OH-O 2.99Å; D234-N236 VanDerWaalsContact CB-ND2 3.28Å; D234-N236 WeakPolarHBondContact CB-ND2 3.34Å; D234-N236 PolarHBondContact O-N 3.07Å
235	W	93.8	Very high	87.6	Confident	33 Å²	33	55.6 Å²	55.6	13%	0.125	30%	0.296	C	S	.	.			trans	-79.9	27.1	178.6	-63.8	92.6	0	0	0	114.5	I170 M172 I179 N182 I183 L214 L240	I170-W235 HydrophobicContact CG2-CH2 3.94Å; I170-W235 HydrophobicContact CG2-CZ3 3.99Å; M172-W235 HydrophobicContact SD-CZ2 4.41Å; I179-W235 HydrophobicContact CB-CB 4.36Å; I179-W235 HydrophobicContact CD1-CB 4.16Å; I179-W235 HydrophobicContact CD1-CG 4.09Å; I179-W235 HydrophobicContact CG1-CB 3.84Å; I179-W235 HydrophobicContact CG1-CG 4.26Å; I179-W235 HydrophobicContact CG2-CB 3.9Å; I179-W235 HydrophobicContact CG2-CD2 3.87Å; I179-W235 HydrophobicContact CG2-CE3 3.84Å; I179-W235 HydrophobicContact CG2-CG 3.93Å; N182-W235 WeakPolarHBondContact CB-O 3.39Å; N182-W235 PolarHBondContact ND2-O 3.44Å; I183-W235 HydrophobicContact CD1-CE3 3.6Å; I183-W235 HydrophobicContact CD1-CZ3 3.48Å; I183-W235 VanDerWaalsContact CD1-CZ3 3.48Å; I183-W235 HydrophobicContact CG1-CE3 3.82Å; I183-W235 HydrophobicContact CG1-CZ3 4Å; L214-W235 HydrophobicContact CB-CH2 4.02Å; L214-W235 HydrophobicContact CB-CZ3 4.34Å; W235-L240 HydrophobicContact CE3-CD2 4.49Å
236	N	92.8	Very high	88.3	Confident	55 Å²	55	49.6 Å²	49.6	29%	0.294	27%	0.269	S	S	.	.	S	Bend	trans	-84.3	155.6	173.5	73.4	68.8	0	0	0	110.8	D234 E238 S239 L240	D234-N236 VanDerWaalsContact CB-ND2 3.28Å; D234-N236 WeakPolarHBondContact CB-ND2 3.34Å; D234-N236 PolarHBondContact O-N 3.07Å; N236-E238 VanDerWaalsContact C-N 3.28Å; N236-E238 PolarHBondContact O-N 2.84Å; N236-E238 PolarHBondContact OD1-N 3.19Å; N236-E238 VanDerWaalsContact OD1-N 3.14Å; N236-S239 PolarHBondContact ND2-OG 2.83Å; N236-S239 PolarHBondContact O-N 2.9Å; N236-S239 WeakPolarHBondContact OD1-CB 3.43Å; N236-S239 PolarHBondContact OD1-N 2.84Å; N236-S239 PolarHBondContact OD1-OG 3.32Å; N236-S239 VanDerWaalsContact OD1-OG 3.14Å; N236-L240 VanDerWaalsContact O-CB 3.25Å; N236-L240 WeakPolarHBondContact O-CB 3.49Å; N236-L240 PolarHBondContact O-N 3.24Å
237	I	89.5	Confident	89.2	Confident	56 Å²	56	47.7 Å²	47.7	29%	0.287	25%	0.254	S	S	.	.	H	α-helix	trans	-57.1	-41.1	-174.6	-63.9	165.9	0	0	0	111.8	N182 T185 V186 G241	N182-I237 HydrophobicContact CB-CG1 3.85Å; T185-I237 HydrophobicContact CG2-CD1 3.93Å; T185-I237 HydrophobicContact CG2-CG1 4.28Å; T185-I237 HydrophobicContact CG2-CG2 4.16Å; V186-I237 HydrophobicContact CG2-CB 4.45Å; V186-I237 HydrophobicContact CG2-CG2 4.02Å; I237-G241 WeakPolarHBondContact O-CA 3.23Å; I237-G241 PolarHBondContact O-N 2.97Å
238	E	89.2	Confident	89.6	Confident	122 Å²	122	44.7 Å²	44.7	57%	0.57	24%	0.241	S	C	*	.	H	α-helix	trans	-69.8	-47	-175.7	-177.8	178.4	-178	0	0	112.2	N236 S242	N236-E238 VanDerWaalsContact C-N 3.28Å; N236-E238 PolarHBondContact O-N 2.84Å; N236-E238 PolarHBondContact OD1-N 3.19Å; N236-E238 VanDerWaalsContact OD1-N 3.14Å; E238-S242 WeakPolarHBondContact O-CB 3.39Å; E238-S242 PolarHBondContact O-N 2.84Å; E238-S242 PolarHBondContact O-OG 3.33Å
239	S	90.3	Very high	89.5	Confident	40 Å²	40	41.7 Å²	41.7	28%	0.28	23%	0.228	S	C	.	.	H	α-helix	trans	-69.9	-46.8	-178.3	-61.8	0	0	0	0	111.5	N236 Y243	N236-S239 PolarHBondContact ND2-OG 2.83Å; N236-S239 PolarHBondContact O-N 2.9Å; N236-S239 WeakPolarHBondContact OD1-CB 3.43Å; N236-S239 PolarHBondContact OD1-N 2.84Å; N236-S239 PolarHBondContact OD1-OG 3.32Å; N236-S239 VanDerWaalsContact OD1-OG 3.14Å; S239-Y243 WeakPolarHBondContact O-CB 3.29Å; S239-Y243 PolarHBondContact O-N 3.39Å
240	L	91.5	Very high	89.4	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.5	-45.2	177.4	-178.1	65.6	0	0	0	111.6	I183 V186 L214 Y231 W235 N236 Y243 L244	I183-L240 HydrophobicContact CB-CD2 4.23Å; I183-L240 HydrophobicContact CG1-CD2 3.7Å; V186-L240 HydrophobicContact CB-CD2 4.28Å; V186-L240 HydrophobicContact CG1-CG 4.4Å; V186-L240 HydrophobicContact CG2-CB 4.37Å; V186-L240 HydrophobicContact CG2-CD2 4.12Å; V186-L240 HydrophobicContact CG2-CG 4.3Å; L214-L240 HydrophobicContact CD1-CD1 3.78Å; Y231-L240 HydrophobicContact CD1-CD1 4.27Å; Y231-L240 HydrophobicContact CE1-CD1 4.17Å; W235-L240 HydrophobicContact CE3-CD2 4.49Å; N236-L240 VanDerWaalsContact O-CB 3.25Å; N236-L240 WeakPolarHBondContact O-CB 3.49Å; N236-L240 PolarHBondContact O-N 3.24Å; L240-Y243 PolarHBondContact O-N 2.89Å; L240-L244 HydrophobicContact CD1-CD1 4.09Å; L240-L244 HydrophobicContact CD1-CG 4.37Å; L240-L244 HydrophobicContact CG-CD1 4.07Å; L240-L244 WeakPolarHBondContact O-CB 3.22Å; L240-L244 WeakPolarHBondContact O-CG 3.36Å; L240-L244 PolarHBondContact O-N 3.46Å
241	G	89.1	Confident	89.3	Confident	2 Å²	2	38.2 Å²	38.2	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-46.4	177.7	0	0	0	0	0	111.9	I237 F245	I237-G241 WeakPolarHBondContact O-CA 3.23Å; I237-G241 PolarHBondContact O-N 2.97Å; G241-F245 WeakPolarHBondContact O-CB 3.39Å; G241-F245 PolarHBondContact O-N 3.36Å
242	S	87.1	Confident	89.3	Confident	14 Å²	14	37.4 Å²	37.4	10%	0.098	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-43.3	175.9	-63.8	0	0	0	0	112.4	E238 F245 I246 S265	E238-S242 WeakPolarHBondContact O-CB 3.39Å; E238-S242 PolarHBondContact O-N 2.84Å; E238-S242 PolarHBondContact O-OG 3.33Å; S242-F245 PolarHBondContact O-N 3.01Å; S242-I246 WeakPolarHBondContact O-CB 3.34Å; S242-I246 VanDerWaalsContact O-CG1 3.26Å; S242-I246 WeakPolarHBondContact O-CG1 3.45Å; S242-I246 PolarHBondContact O-N 3.48Å; S242-S265 PolarHBondContact OG-OG 3.14Å
243	Y	90	Very high	89.3	Confident	35 Å²	35	33.8 Å²	33.8	14%	0.137	18%	0.184	C	C	.	.	H	α-helix	trans	-60.2	-53.5	177	173	-93.8	0	0	0	111.3	L214 L229 Y231 S239 L240 F245 I246 E247	L214-Y243 HydrophobicContact CD2-CE1 4.2Å; L229-Y243 WeakPolarHBondContact CB-OH 3.5Å; Y231-Y243 AromaticContact CD2-CD1 3.84Å; Y231-Y243 HydrophobicContact CD2-CD1 3.84Å; Y231-Y243 AromaticContact CD2-CD2 3.41Å; Y231-Y243 HydrophobicContact CD2-CD2 3.41Å; Y231-Y243 VanDerWaalsContact CD2-CD2 3.41Å; Y231-Y243 HydrophobicContact CD2-CE1 4.15Å; Y231-Y243 AromaticContact CD2-CE2 3.7Å; Y231-Y243 HydrophobicContact CD2-CE2 3.7Å; Y231-Y243 AromaticContact CD2-CG 3.46Å; Y231-Y243 HydrophobicContact CD2-CG 3.46Å; Y231-Y243 VanDerWaalsContact CD2-CG 3.46Å; Y231-Y243 AromaticContact CE2-CD2 3.94Å; Y231-Y243 HydrophobicContact CE2-CD2 3.94Å; Y231-Y243 AromaticContact CE2-CG 3.85Å; Y231-Y243 HydrophobicContact CE2-CG 3.85Å; Y231-Y243 AromaticContact CG-CD1 3.94Å; Y231-Y243 HydrophobicContact CG-CD1 3.94Å; Y231-Y243 HydrophobicContact CG-CD2 4.26Å; Y231-Y243 HydrophobicContact CG-CE1 4.05Å; Y231-Y243 HydrophobicContact CG-CE2 4.31Å; Y231-Y243 HydrophobicContact CG-CG 4.05Å; S239-Y243 WeakPolarHBondContact O-CB 3.29Å; S239-Y243 PolarHBondContact O-N 3.39Å; L240-Y243 PolarHBondContact O-N 2.89Å; Y243-F245 VanDerWaalsContact C-N 3.31Å; Y243-F245 PolarHBondContact O-N 3.14Å; Y243-I246 PolarHBondContact O-N 3.45Å; Y243-E247 HydrophobicContact CD2-CG 3.8Å; Y243-E247 HydrophobicContact CE1-CB 4.44Å; Y243-E247 HydrophobicContact CE2-CB 4.3Å; Y243-E247 HydrophobicContact CE2-CG 3.58Å; Y243-E247 HydrophobicContact CG-CG 4.42Å; Y243-E247 VanDerWaalsContact O-CB 3.29Å; Y243-E247 WeakPolarHBondContact O-CB 3.49Å; Y243-E247 WeakPolarHBondContact O-CG 3.11Å; Y243-E247 PolarHBondContact O-N 2.9Å
244	L	90.1	Very high	89.3	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-41.4	-179.2	-74.3	172.4	0	0	0	111.1	A168 V186 I193 Y195 L214 L216 L240 I246 S248	A168-L244 HydrophobicContact CB-CD2 4.17Å; V186-L244 HydrophobicContact CG1-CD1 3.7Å; I193-L244 HydrophobicContact CD1-CB 4.19Å; I193-L244 HydrophobicContact CD1-CD2 4.36Å; Y195-L244 HydrophobicContact CE1-CD1 3.78Å; L214-L244 HydrophobicContact CD1-CD1 4.2Å; L214-L244 HydrophobicContact CD1-CD2 4.06Å; L214-L244 HydrophobicContact CD1-CG 4.46Å; L214-L244 HydrophobicContact CD2-CD2 3.82Å; L216-L244 HydrophobicContact CD1-CD2 3.97Å; L240-L244 HydrophobicContact CD1-CD1 4.09Å; L240-L244 HydrophobicContact CD1-CG 4.37Å; L240-L244 HydrophobicContact CG-CD1 4.07Å; L240-L244 WeakPolarHBondContact O-CB 3.22Å; L240-L244 WeakPolarHBondContact O-CG 3.36Å; L240-L244 PolarHBondContact O-N 3.46Å; L244-I246 PolarHBondContact O-N 2.87Å; L244-S248 WeakPolarHBondContact O-CA 3.12Å; L244-S248 WeakPolarHBondContact O-CB 3.35Å; L244-S248 PolarHBondContact O-N 2.92Å; L244-S248 PolarHBondContact O-OG 3.39Å
245	F	83.8	Confident	89.2	Confident	13 Å²	13	30.7 Å²	30.7	6%	0.057	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-42.5	178.3	174.7	-101.6	0	0	0	113.7	G241 S242 Y243 L249 Y262 F263 I268 R302	G241-F245 WeakPolarHBondContact O-CB 3.39Å; G241-F245 PolarHBondContact O-N 3.36Å; S242-F245 PolarHBondContact O-N 3.01Å; Y243-F245 VanDerWaalsContact C-N 3.31Å; Y243-F245 PolarHBondContact O-N 3.14Å; F245-L249 WeakPolarHBondContact O-CD1 3.28Å; F245-L249 WeakPolarHBondContact O-CG 3.25Å; F245-Y262 VanDerWaalsContact CE2-C 3.48Å; F245-Y262 WeakPolarHBondContact CE2-O 3.45Å; F245-F263 HydrophobicContact CB-CB 4.01Å; F245-F263 HydrophobicContact CD2-CB 3.75Å; F245-F263 WeakPolarHBondContact CD2-O 3.47Å; F245-F263 WeakPolarHBondContact CE1-O 3.14Å; F245-F263 HydrophobicContact CE2-CB 4.41Å; F245-F263 WeakPolarHBondContact CE2-O 3.44Å; F245-F263 HydrophobicContact CG-CB 3.93Å; F245-F263 WeakPolarHBondContact CZ-O 3.29Å; F245-I268 HydrophobicContact CE1-CG1 4.32Å; F245-R302 VanDerWaalsContact CZ-NH1 3.34Å
246	I	85.8	Confident	88.7	Confident	18 Å²	18	33.7 Å²	33.7	9%	0.092	17%	0.172	C	C	.	.	H	α-helix	trans	-75.1	-46.1	179.9	-66.6	167.9	0	0	0	110.1	S242 Y243 L244 T267 I268 R298	S242-I246 WeakPolarHBondContact O-CB 3.34Å; S242-I246 VanDerWaalsContact O-CG1 3.26Å; S242-I246 WeakPolarHBondContact O-CG1 3.45Å; S242-I246 PolarHBondContact O-N 3.48Å; Y243-I246 PolarHBondContact O-N 3.45Å; L244-I246 PolarHBondContact O-N 2.87Å; I246-T267 WeakPolarHBondContact CD1-OG1 3.48Å; I246-I268 HydrophobicContact CG1-CD1 4.38Å; I246-I268 HydrophobicContact CG1-CG1 4.48Å; I246-R298 HydrophobicContact CG2-CG 3.9Å; I246-R298 PolarHBondContact O-NH2 3.35Å; I246-R298 VanDerWaalsContact O-NH2 3.12Å
247	E	88.1	Confident	87.9	Confident	27 Å²	27	36.3 Å²	36.3	13%	0.126	18%	0.184	C	C	.	.	H	α-helix	trans	-84.5	-22.9	-169.4	-61.6	-57.2	170.5	0	0	114.2	L216 L229 Y243 L249 R298	L216-E247 VanDerWaalsContact CD2-C 3.45Å; L216-E247 HydrophobicContact CD2-CB 3.59Å; L216-E247 WeakPolarHBondContact CD2-O 3.08Å; L229-E247 HydrophobicContact CD1-CB 3.77Å; L229-E247 HydrophobicContact CD1-CG 3.8Å; L229-E247 WeakPolarHBondContact CD1-OE2 3.39Å; Y243-E247 HydrophobicContact CD2-CG 3.8Å; Y243-E247 HydrophobicContact CE1-CB 4.44Å; Y243-E247 HydrophobicContact CE2-CB 4.3Å; Y243-E247 HydrophobicContact CE2-CG 3.58Å; Y243-E247 HydrophobicContact CG-CG 4.42Å; Y243-E247 VanDerWaalsContact O-CB 3.29Å; Y243-E247 WeakPolarHBondContact O-CB 3.49Å; Y243-E247 WeakPolarHBondContact O-CG 3.11Å; Y243-E247 PolarHBondContact O-N 2.9Å; E247-L249 PolarHBondContact O-N 2.95Å; E247-R298 PolarHBondContact O-NH2 2.83Å; E247-R298 IonicContact OE1-NE 2.98Å; E247-R298 IonicContact OE2-CZ 3.3Å; E247-R298 IonicContact OE2-NE 2.59Å; E247-R298 PolarHBondContact OE2-NE 3.14Å; E247-R298 IonicContact OE2-NH2 2.82Å; E247-R298 PolarHBondContact OE2-NH2 3.28Å
248	S	86.9	Confident	86.7	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.021	20%	0.196	C	C	.	.	S	Bend	trans	-69.2	-24.6	175.4	73.5	0	0	0	0	112.9	R218 L244	R218-S248 WeakPolarHBondContact CD-O 3.33Å; L244-S248 WeakPolarHBondContact O-CA 3.12Å; L244-S248 WeakPolarHBondContact O-CB 3.35Å; L244-S248 PolarHBondContact O-N 2.92Å; L244-S248 PolarHBondContact O-OG 3.39Å
249	L	84.4	Confident	85.4	Confident	43 Å²	43	35.1 Å²	35.1	23%	0.225	19%	0.191	C	C	.	.	S	Bend	trans	-89.8	143.6	-176.5	-64.7	178.1	0	0	0	112.4	R218 F245 E247 R298	R218-L249 PolarHBondContact NH1-O 3.46Å; F245-L249 WeakPolarHBondContact O-CD1 3.28Å; F245-L249 WeakPolarHBondContact O-CG 3.25Å; E247-L249 PolarHBondContact O-N 2.95Å; L249-R298 PolarHBondContact O-NH1 2.95Å; L249-R298 VanDerWaalsContact O-NH1 3.07Å; L249-R298 PolarHBondContact O-NH2 2.9Å
250	P	86.5	Confident	83.6	Confident	43 Å²	43	36 Å²	36	28%	0.279	19%	0.193	S	C	.	.			trans	-46.1	154.8	161.9	-30.4	35.2	0	0	0	113	R218 E222 V252 N253 R298	R218-P250 VanDerWaalsContact NH1-CA 3.33Å; R218-P250 VanDerWaalsContact NH1-N 3.14Å; E222-P250 VanDerWaalsContact OE1-CA 3.29Å; E222-P250 WeakPolarHBondContact OE1-CA 3.26Å; E222-P250 WeakPolarHBondContact OE1-CB 3.39Å; P250-V252 WeakPolarHBondContact CB-O 3.49Å; P250-V252 PolarHBondContact O-N 2.87Å; P250-N253 VanDerWaalsContact CD-OD1 3.3Å; P250-N253 WeakPolarHBondContact CD-OD1 3.39Å; P250-N253 PolarHBondContact O-ND2 3.27Å; P250-R298 PolarHBondContact O-NH1 2.83Å
251	I	90.1	Very high	81.6	Confident	29 Å²	29	39.9 Å²	39.9	15%	0.149	22%	0.216	C	C	.	.	S	Bend	trans	-58.7	-40.1	172.4	-65.8	156.3	0	0	0	110	E222 R291 C294 K295 C303	E222-I251 PolarHBondContact OE1-N 2.9Å; I251-R291 HydrophobicContact CB-CG 4.18Å; I251-R291 HydrophobicContact CD1-CG 4.38Å; I251-R291 HydrophobicContact CG2-CG 3.87Å; I251-C294 HydrophobicContact CG2-CB 3.69Å; I251-K295 HydrophobicContact CD1-CD 4.11Å; I251-K295 VanDerWaalsContact CD1-CE 3.42Å; I251-K295 HydrophobicContact CD1-CG 3.58Å; I251-K295 HydrophobicContact CG1-CG 4.25Å; I251-K295 HydrophobicContact CG2-CG 3.97Å; I251-C303 WeakPolarHBondContact O-CB 3.23Å
252	V	92.7	Very high	79.9	Confident	11 Å²	11	43.4 Å²	43.4	7%	0.067	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.1	173	-172.7	0	0	0	0	108.7	P250 L287 Y290 R291 C294 C303 F305	P250-V252 WeakPolarHBondContact CB-O 3.49Å; P250-V252 PolarHBondContact O-N 2.87Å; V252-L287 HydrophobicContact CB-CD1 4.41Å; V252-L287 HydrophobicContact CG1-CD1 3.92Å; V252-Y290 HydrophobicContact CG1-CD1 3.73Å; V252-Y290 HydrophobicContact CG1-CE1 3.56Å; V252-Y290 HydrophobicContact CG2-CD1 3.92Å; V252-Y290 HydrophobicContact CG2-CE1 4.12Å; V252-R291 HydrophobicContact CG2-CB 3.93Å; V252-R291 HydrophobicContact CG2-CG 4.2Å; V252-C294 HydrophobicContact CG2-CB 4.19Å; V252-C303 HydrophobicContact CG1-CB 4.48Å; V252-C303 HydrophobicContact CG2-CB 4.19Å; V252-F305 HydrophobicContact CG1-CB 4.29Å; V252-F305 HydrophobicContact CG1-CD1 4.01Å
253	N	89.4	Confident	78.2	Confident	19 Å²	19	45 Å²	45	10%	0.102	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	144.7	-179.1	-59.4	-85	0	0	0	110.2	P250 C303 Y304 F305	P250-N253 VanDerWaalsContact CD-OD1 3.3Å; P250-N253 WeakPolarHBondContact CD-OD1 3.39Å; P250-N253 PolarHBondContact O-ND2 3.27Å; N253-C303 PolarHBondContact N-O 3.01Å; N253-C303 PolarHBondContact ND2-O 3Å; N253-Y304 HydrophobicContact CB-CD1 3.55Å; N253-Y304 HydrophobicContact CB-CE1 3.77Å; N253-Y304 HydrophobicContact CB-CG 4.47Å; N253-Y304 CarbonylContact O-C 3.58Å; N253-Y304 WeakPolarHBondContact O-CA 3.02Å; N253-F305 WeakPolarHBondContact O-CD1 3.18Å; N253-F305 PolarHBondContact O-N 3.42Å
254	E	91.6	Very high	76.8	Confident	72 Å²	72	48 Å²	48	34%	0.336	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.7	162.5	-172.9	178.3	166.3	0	0	108.5	K256 F305	E254-K256 PolarHBondContact O-N 3.23Å; E254-F305 VanDerWaalsContact CA-CE1 3.48Å; E254-F305 HydrophobicContact CB-CD1 4.37Å; E254-F305 HydrophobicContact CB-CE1 3.56Å; E254-F305 HydrophobicContact CB-CE2 4.23Å; E254-F305 HydrophobicContact CB-CZ 3.48Å; E254-F305 VanDerWaalsContact CB-CZ 3.48Å; E254-F305 HydrophobicContact CG-CE1 4.08Å; E254-F305 HydrophobicContact CG-CE2 3.79Å; E254-F305 HydrophobicContact CG-CZ 3.49Å; E254-F305 VanDerWaalsContact CG-CZ 3.49Å
255	F	90.5	Very high	75.7	Confident	8 Å²	8	48 Å²	48	4%	0.035	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-69.6	123.9	174.4	171.7	-97.5	0	0	0	110.5	I257 L260 Y273 F305 V306 N313 F316	F255-I257 HydrophobicContact CE1-CG1 3.93Å; F255-I257 HydrophobicContact CZ-CG1 4.09Å; F255-L260 HydrophobicContact CD2-CD1 4.27Å; F255-L260 HydrophobicContact CE2-CD1 3.74Å; F255-L260 HydrophobicContact CE2-CG 4.46Å; F255-Y273 HydrophobicContact CD2-CD1 4.46Å; F255-Y273 HydrophobicContact CD2-CE1 4.09Å; F255-F305 WeakPolarHBondContact CB-O 3.27Å; F255-F305 PolarHBondContact N-O 3.3Å; F255-V306 HydrophobicContact CB-CB 4.4Å; F255-V306 HydrophobicContact CB-CG2 3.69Å; F255-V306 HydrophobicContact CD1-CG1 4.16Å; F255-V306 HydrophobicContact CD1-CG2 4.34Å; F255-V306 HydrophobicContact CG-CG2 4.06Å; F255-N313 WeakPolarHBondContact CD1-OD1 2.96Å; F255-F316 HydrophobicContact CD1-CD1 4.02Å; F255-F316 HydrophobicContact CD1-CE1 4.28Å; F255-F316 HydrophobicContact CD1-CG 4.32Å; F255-F316 HydrophobicContact CD2-CD1 4.5Å; F255-F316 HydrophobicContact CD2-CE1 4.04Å; F255-F316 HydrophobicContact CD2-CE2 4.16Å; F255-F316 AromaticContact CD2-CZ 3.85Å; F255-F316 HydrophobicContact CD2-CZ 3.85Å; F255-F316 HydrophobicContact CE1-CB 3.86Å; F255-F316 AromaticContact CE1-CD1 3.69Å; F255-F316 HydrophobicContact CE1-CD1 3.69Å; F255-F316 AromaticContact CE1-CD2 3.88Å; F255-F316 HydrophobicContact CE1-CD2 3.88Å; F255-F316 HydrophobicContact CE1-CE1 4.19Å; F255-F316 HydrophobicContact CE1-CE2 4.32Å; F255-F316 AromaticContact CE1-CG 3.52Å; F255-F316 HydrophobicContact CE1-CG 3.52Å; F255-F316 HydrophobicContact CE1-CZ 4.47Å; F255-F316 HydrophobicContact CE2-CD1 4.19Å; F255-F316 AromaticContact CE2-CD2 3.67Å; F255-F316 HydrophobicContact CE2-CD2 3.67Å; F255-F316 AromaticContact CE2-CE1 3.93Å; F255-F316 HydrophobicContact CE2-CE1 3.93Å; F255-F316 AromaticContact CE2-CE2 3.32Å; F255-F316 HydrophobicContact CE2-CE2 3.32Å; F255-F316 HydrophobicContact CE2-CG 4.07Å; F255-F316 AromaticContact CE2-CZ 3.49Å; F255-F316 HydrophobicContact CE2-CZ 3.49Å; F255-F316 VanDerWaalsContact CE2-CZ 3.49Å; F255-F316 HydrophobicContact CG-CD1 4.42Å; F255-F316 HydrophobicContact CG-CE1 4.21Å; F255-F316 HydrophobicContact CG-CZ 4.48Å; F255-F316 HydrophobicContact CZ-CB 4.02Å; F255-F316 AromaticContact CZ-CD1 3.79Å; F255-F316 HydrophobicContact CZ-CD1 3.79Å; F255-F316 AromaticContact CZ-CD2 3.2Å; F255-F316 HydrophobicContact CZ-CD2 3.2Å; F255-F316 HydrophobicContact CZ-CE1 4.02Å; F255-F316 AromaticContact CZ-CE2 3.42Å; F255-F316 HydrophobicContact CZ-CE2 3.42Å; F255-F316 VanDerWaalsContact CZ-CE2 3.42Å; F255-F316 AromaticContact CZ-CG 3.38Å; F255-F316 HydrophobicContact CZ-CG 3.38Å; F255-F316 AromaticContact CZ-CZ 3.85Å; F255-F316 HydrophobicContact CZ-CZ 3.85Å
256	K	83.5	Confident	75	Confident	97 Å²	97	50.4 Å²	50.4	42%	0.422	28%	0.276	S	S	.	.			trans	-129	135.8	172.3	-66.4	176.2	-179.6	173.5	0	110.3	E254 G258 E259	E254-K256 PolarHBondContact O-N 3.23Å; K256-G258 PolarHBondContact O-N 2.91Å; K256-E259 HydrophobicContact CB-CG 4.11Å; K256-E259 VanDerWaalsContact CD-OE1 3.26Å; K256-E259 WeakPolarHBondContact CD-OE1 3.42Å; K256-E259 PolarHBondContact O-N 3.12Å
257	I	75	Confident	74.8	Confident	110 Å²	110	52.7 Å²	52.7	56%	0.564	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	126	178.9	-62.6	-173	0	0	0	109.7	F255 I312	F255-I257 HydrophobicContact CE1-CG1 3.93Å; F255-I257 HydrophobicContact CZ-CG1 4.09Å; I257-I312 HydrophobicContact CD1-CG2 3.36Å; I257-I312 HydrophobicContact CG1-CG2 4.03Å
258	G	65.7	Low	74.8	Confident	51 Å²	51	51.7 Å²	51.7	53%	0.526	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	-8.3	174	0	0	0	0	0	116	K256	K256-G258 PolarHBondContact O-N 2.91Å
259	E	62	Low	74.9	Confident	102 Å²	102	56 Å²	56	48%	0.477	30%	0.304	S	S	.	.			trans	-84	-18.4	177.7	-71.9	-176	178.6	0	0	113.6	K256 T261 Y262	K256-E259 HydrophobicContact CB-CG 4.11Å; K256-E259 VanDerWaalsContact CD-OE1 3.26Å; K256-E259 WeakPolarHBondContact CD-OE1 3.42Å; K256-E259 PolarHBondContact O-N 3.12Å; E259-T261 PolarHBondContact O-N 3.06Å; E259-Y262 WeakPolarHBondContact O-CD2 3.44Å; E259-Y262 WeakPolarHBondContact O-CE2 3.2Å
260	L	52.6	Low	75.2	Confident	59 Å²	59	54.9 Å²	54.9	31%	0.309	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	16.2	-173.4	-67.4	177.6	0	0	0	115.9	F255 Y304	F255-L260 HydrophobicContact CD2-CD1 4.27Å; F255-L260 HydrophobicContact CE2-CD1 3.74Å; F255-L260 HydrophobicContact CE2-CG 4.46Å; L260-Y304 HydrophobicContact CD2-CD1 4.44Å; L260-Y304 HydrophobicContact CD2-CE1 3.56Å; L260-Y304 HydrophobicContact CD2-CE2 4.08Å; L260-Y304 WeakPolarHBondContact CD2-OH 3.13Å
261	T	49.6	Very low	75.5	Confident	80 Å²	80	53.7 Å²	53.7	49%	0.491	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	2.3	-171.1	49	0	0	0	0	116.4	E259	E259-T261 PolarHBondContact O-N 3.06Å
262	Y	52	Low	75.7	Confident	76 Å²	76	52.3 Å²	52.3	30%	0.298	28%	0.282	S	S	.	.	S	Bend	trans	-84.3	146	-179.3	-54.9	-76	0	0	0	111.7	H192 F245 E259	H192-Y262 AromaticContact CE1-CD1 3.8Å; H192-Y262 AromaticContact CE1-CG 3.86Å; H192-Y262 AromaticContact ND1-CD1 3.58Å; H192-Y262 AromaticContact ND1-CE1 3.53Å; H192-Y262 AromaticContact ND1-CG 3.98Å; H192-Y262 AromaticContact ND1-CZ 3.91Å; F245-Y262 VanDerWaalsContact CE2-C 3.48Å; F245-Y262 WeakPolarHBondContact CE2-O 3.45Å; E259-Y262 WeakPolarHBondContact O-CD2 3.44Å; E259-Y262 WeakPolarHBondContact O-CE2 3.2Å
263	F	52.4	Low	75.8	Confident	47 Å²	47	52.1 Å²	52.1	21%	0.206	28%	0.28	C	S	.	.			trans	6.7	113.6	177.2	-144.1	-91.4	0	0	0	116.7	F245 S265	F245-F263 HydrophobicContact CB-CB 4.01Å; F245-F263 HydrophobicContact CD2-CB 3.75Å; F245-F263 WeakPolarHBondContact CD2-O 3.47Å; F245-F263 WeakPolarHBondContact CE1-O 3.14Å; F245-F263 HydrophobicContact CE2-CB 4.41Å; F245-F263 WeakPolarHBondContact CE2-O 3.44Å; F245-F263 HydrophobicContact CG-CB 3.93Å; F245-F263 WeakPolarHBondContact CZ-O 3.29Å; F263-S265 PolarHBondContact O-N 2.83Å
264	D	61.2	Low	76.1	Confident	100 Å²	100	51.2 Å²	51.2	54%	0.535	28%	0.275	S	S	.	.			trans	-73.2	98.4	167.2	-169	-4.2	0	0	0	108	A266 K338	D264-A266 PolarHBondContact O-N 3.29Å; D264-K338 IonicContact OD1-NZ 3.57Å
265	S	65.5	Low	76.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.26	C	S	.	.			trans	-69.4	130.9	174	-179.8	0	0	0	0	109.8	S242 F263 T267 I268 K338	S242-S265 PolarHBondContact OG-OG 3.14Å; F263-S265 PolarHBondContact O-N 2.83Å; S265-T267 PolarHBondContact O-N 3.49Å; S265-T267 VanDerWaalsContact O-N 3.12Å; S265-T267 PolarHBondContact OG-N 2.56Å; S265-T267 PolarHBondContact OG-OG1 2.7Å; S265-T267 VanDerWaalsContact OG-OG1 3.07Å; S265-I268 PolarHBondContact O-N 2.82Å; S265-K338 PolarHBondContact O-NZ 3.16Å
266	A	70.6	Confident	76.3	Confident	64 Å²	64	47.6 Å²	47.6	53%	0.529	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.2	175	0	0	0	0	0	112.4	D264 K338	D264-A266 PolarHBondContact O-N 3.29Å; A266-K338 PolarHBondContact O-NZ 2.98Å
267	T	80.9	Confident	76.6	Confident	66 Å²	66	46.1 Å²	46.1	41%	0.405	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-31.1	-175.3	68.6	0	0	0	0	113.7	I246 S265 K269 K299	I246-T267 WeakPolarHBondContact CD1-OG1 3.48Å; S265-T267 PolarHBondContact O-N 3.49Å; S265-T267 VanDerWaalsContact O-N 3.12Å; S265-T267 PolarHBondContact OG-N 2.56Å; S265-T267 PolarHBondContact OG-OG1 2.7Å; S265-T267 VanDerWaalsContact OG-OG1 3.07Å; T267-K269 PolarHBondContact O-N 3.35Å; T267-K299 CarbonylContact C-O 3.39Å; T267-K299 WeakPolarHBondContact CB-O 3.34Å; T267-K299 PolarHBondContact OG1-O 3.47Å
268	I	86.9	Confident	77.5	Confident	6 Å²	6	44.5 Å²	44.5	3%	0.031	24%	0.244	C	C	.	.			trans	-70.9	118.9	176.9	-61	-66.5	0	0	0	108.4	F245 I246 S265 R302 K338	F245-I268 HydrophobicContact CE1-CG1 4.32Å; I246-I268 HydrophobicContact CG1-CD1 4.38Å; I246-I268 HydrophobicContact CG1-CG1 4.48Å; S265-I268 PolarHBondContact O-N 2.82Å; I268-R302 HydrophobicContact CD1-CB 4.4Å; I268-R302 HydrophobicContact CG2-CB 4.04Å; I268-K338 WeakPolarHBondContact O-CE 3.49Å
269	K	89.9	Confident	78.7	Confident	94 Å²	94	47 Å²	47	41%	0.409	25%	0.254	S	S	.	.			trans	-95.3	-34.2	-178.5	-67.9	169.6	-180	170.2	0	111.7	T267 E300 L381	T267-K269 PolarHBondContact O-N 3.35Å; K269-E300 WeakPolarHBondContact CE-OE1 3.17Å; K269-E300 PolarHBondContact N-O 3.01Å; K269-E300 IonicContact NZ-OE1 3.76Å; K269-E300 PolarHBondContact NZ-OE1 3.01Å; K269-L381 HydrophobicContact CB-CD2 4.25Å; K269-L381 HydrophobicContact CD-CD2 3.64Å
270	H	91.5	Very high	79.9	Confident	19 Å²	19	43.7 Å²	43.7	9%	0.088	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	144.8	-174.1	-64.1	-74.2	0	0	0	112	E300 I301 R302 T336 L380	H270-E300 PolarHBondContact N-O 3.1Å; H270-I301 WeakPolarHBondContact O-CA 3.42Å; H270-R302 PolarHBondContact O-N 2.98Å; H270-T336 WeakPolarHBondContact CA-O 3.42Å; H270-T336 PolarHBondContact ND1-O 3.15Å; H270-L380 HydrophobicContact CB-CD2 3.87Å
271	D	91.5	Very high	81.5	Confident	17 Å²	17	48.6 Å²	48.6	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.6	162.2	-63.5	-35	0	0	0	108.1	Y273 R302 Y304 A335 T336	D271-Y273 HydrophobicContact CB-CE2 3.78Å; D271-R302 VanDerWaalsContact CG-NH2 3.31Å; D271-R302 WeakPolarHBondContact OD1-CB 3.27Å; D271-R302 IonicContact OD1-CZ 3.01Å; D271-R302 IonicContact OD1-NE 2.92Å; D271-R302 PolarHBondContact OD1-NE 3.29Å; D271-R302 IonicContact OD1-NH2 3.44Å; D271-R302 PolarHBondContact OD1-NH2 2.84Å; D271-R302 IonicContact OD2-CZ 2.66Å; D271-R302 IonicContact OD2-NH2 3.97Å; D271-R302 PolarHBondContact OD2-NH2 2.88Å; D271-R302 VanDerWaalsContact OD2-NH2 3.1Å; D271-Y304 HydrophobicContact CB-CE2 4.31Å; D271-A335 CarbonylContact O-C 3.54Å; D271-A335 WeakPolarHBondContact O-CA 3.38Å; D271-T336 PolarHBondContact N-O 3.31Å; D271-T336 PolarHBondContact O-N 2.89Å
272	V	95.1	Very high	83.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.6	-179.3	179.3	0	0	0	0	109.3	Y290 I301 R302 Y304 L333 A335 F377 L380	V272-Y290 HydrophobicContact CG1-CE2 4.2Å; V272-Y290 WeakPolarHBondContact CG1-OH 3.26Å; V272-Y290 PolarHBondContact O-OH 2.7Å; V272-Y290 VanDerWaalsContact O-OH 3.13Å; V272-I301 HydrophobicContact CB-CG2 4.04Å; V272-I301 HydrophobicContact CG2-CG2 3.41Å; V272-I301 VanDerWaalsContact CG2-CG2 3.41Å; V272-R302 PolarHBondContact N-O 3.48Å; V272-Y304 PolarHBondContact O-N 3.14Å; V272-L333 HydrophobicContact CG1-CD1 3.4Å; V272-L333 HydrophobicContact CG1-CD2 4.45Å; V272-L333 HydrophobicContact CG1-CG 3.89Å; V272-A335 HydrophobicContact CG2-CB 3.74Å; V272-F377 HydrophobicContact CB-CE1 4.18Å; V272-F377 HydrophobicContact CB-CZ 4.26Å; V272-F377 HydrophobicContact CG1-CE1 3.72Å; V272-F377 HydrophobicContact CG1-CZ 3.93Å; V272-F377 HydrophobicContact CG2-CE1 3.75Å; V272-F377 HydrophobicContact CG2-CZ 4.17Å; V272-L380 HydrophobicContact CG2-CD2 4.33Å
273	Y	95.1	Very high	85.2	Confident	8 Å²	8	43.2 Å²	43.2	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	117.5	-177.5	-55	-87.5	0	0	0	109.5	F255 D271 F275 Y304 V306 F316 H320 V334 T336	F255-Y273 HydrophobicContact CD2-CD1 4.46Å; F255-Y273 HydrophobicContact CD2-CE1 4.09Å; D271-Y273 HydrophobicContact CB-CE2 3.78Å; Y273-F275 VanDerWaalsContact CB-CE2 3.47Å; Y273-F275 HydrophobicContact CG-CE2 4.47Å; Y273-Y304 CarbonylContact C-O 3.57Å; Y273-Y304 WeakPolarHBondContact CA-O 3.41Å; Y273-Y304 AromaticContact CD1-CD2 3.91Å; Y273-Y304 HydrophobicContact CD1-CD2 3.91Å; Y273-Y304 AromaticContact CD1-CG 3.96Å; Y273-Y304 HydrophobicContact CD1-CG 3.96Å; Y273-Y304 AromaticContact CE1-CD2 3.47Å; Y273-Y304 HydrophobicContact CE1-CD2 3.47Å; Y273-Y304 VanDerWaalsContact CE1-CD2 3.47Å; Y273-Y304 HydrophobicContact CE1-CE2 4.11Å; Y273-Y304 AromaticContact CE1-CG 3.76Å; Y273-Y304 HydrophobicContact CE1-CG 3.76Å; Y273-V306 HydrophobicContact CD1-CG2 4.09Å; Y273-F316 AromaticContact CD1-CE1 3.8Å; Y273-F316 HydrophobicContact CD1-CE1 3.8Å; Y273-F316 AromaticContact CD1-CZ 3.69Å; Y273-F316 HydrophobicContact CD1-CZ 3.69Å; Y273-F316 HydrophobicContact CD2-CZ 4.45Å; Y273-F316 HydrophobicContact CE1-CE1 4.11Å; Y273-F316 AromaticContact CE1-CZ 3.52Å; Y273-F316 HydrophobicContact CE1-CZ 3.52Å; Y273-F316 HydrophobicContact CE2-CZ 4.3Å; Y273-F316 HydrophobicContact CG-CE1 4.18Å; Y273-F316 HydrophobicContact CG-CZ 4.18Å; Y273-F316 AromaticContact CZ-CZ 3.84Å; Y273-H320 AromaticContact CE2-NE2 3.93Å; Y273-V334 PolarHBondContact N-O 3.02Å; Y273-V334 PolarHBondContact O-N 3.01Å; Y273-T336 HydrophobicContact CE2-CG2 4.25Å
274	L	96.1	Very high	87.2	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	110.4	166.7	179.6	66.5	0	0	0	108.8	L276 Y290 Y304 F305 V306 F331 L333 I368	L274-L276 HydrophobicContact CD2-CD1 4.1Å; L274-L276 HydrophobicContact CD2-CD2 4.38Å; L274-L276 HydrophobicContact CG-CD2 4.16Å; L274-L276 VanDerWaalsContact O-CD2 3.31Å; L274-L276 WeakPolarHBondContact O-CD2 3.48Å; L274-Y290 HydrophobicContact CB-CD1 3.83Å; L274-Y290 HydrophobicContact CB-CE1 3.7Å; L274-Y290 HydrophobicContact CB-CE2 4.42Å; L274-Y290 HydrophobicContact CB-CG 4.26Å; L274-Y290 HydrophobicContact CD2-CD1 3.72Å; L274-Y290 HydrophobicContact CD2-CE1 4.45Å; L274-Y290 HydrophobicContact CD2-CG 3.77Å; L274-Y290 HydrophobicContact CG-CD1 4.42Å; L274-Y304 PolarHBondContact N-O 2.68Å; L274-F305 HydrophobicContact CB-CB 4.49Å; L274-F305 CarbonylContact O-C 3.52Å; L274-F305 VanDerWaalsContact O-CA 3.26Å; L274-F305 WeakPolarHBondContact O-CA 3.24Å; L274-V306 PolarHBondContact O-N 3.17Å; L274-F331 HydrophobicContact CD1-CB 4.3Å; L274-L333 HydrophobicContact CB-CD1 3.95Å; L274-L333 HydrophobicContact CD1-CB 4.48Å; L274-L333 HydrophobicContact CD1-CD1 4.14Å; L274-I368 HydrophobicContact CD1-CD1 3.89Å
275	F	93.6	Very high	88.7	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.009	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.4	174.6	-64.4	-96.4	0	0	0	109.7	Y273 V306 T308 F316 S317 H320 V322 F331 Q332 V334	Y273-F275 VanDerWaalsContact CB-CE2 3.47Å; Y273-F275 HydrophobicContact CG-CE2 4.47Å; F275-V306 HydrophobicContact CD1-CB 3.62Å; F275-V306 HydrophobicContact CD1-CG1 3.78Å; F275-V306 HydrophobicContact CD1-CG2 4Å; F275-V306 HydrophobicContact CE1-CB 3.85Å; F275-V306 HydrophobicContact CE1-CG1 3.79Å; F275-V306 HydrophobicContact CE1-CG2 3.79Å; F275-V306 HydrophobicContact CG-CB 4.24Å; F275-V306 HydrophobicContact CZ-CG2 4.13Å; F275-T308 HydrophobicContact CB-CG2 3.87Å; F275-T308 HydrophobicContact CD1-CG2 4.06Å; F275-T308 HydrophobicContact CG-CG2 4.49Å; F275-F316 AromaticContact CE1-CD1 3.89Å; F275-F316 HydrophobicContact CE1-CD1 3.89Å; F275-F316 HydrophobicContact CE1-CE1 4.02Å; F275-F316 HydrophobicContact CZ-CD1 4.06Å; F275-F316 AromaticContact CZ-CE1 3.77Å; F275-F316 HydrophobicContact CZ-CE1 3.77Å; F275-S317 WeakPolarHBondContact CD1-OG 3.33Å; F275-S317 WeakPolarHBondContact CE1-OG 3.46Å; F275-H320 HydrophobicContact CE2-CB 4.09Å; F275-H320 HydrophobicContact CZ-CB 3.67Å; F275-H320 AromaticContact CZ-CG 3.85Å; F275-V322 HydrophobicContact CB-CG1 3.84Å; F275-V322 HydrophobicContact CB-CG2 4.47Å; F275-V322 HydrophobicContact CD1-CB 4.15Å; F275-V322 HydrophobicContact CD1-CG1 3.78Å; F275-V322 HydrophobicContact CD1-CG2 4.09Å; F275-V322 HydrophobicContact CD2-CB 4.46Å; F275-V322 HydrophobicContact CD2-CG1 4.41Å; F275-V322 HydrophobicContact CD2-CG2 3.56Å; F275-V322 HydrophobicContact CE1-CB 4.32Å; F275-V322 HydrophobicContact CE1-CG1 4.42Å; F275-V322 HydrophobicContact CE1-CG2 4.15Å; F275-V322 HydrophobicContact CE2-CG2 3.62Å; F275-V322 HydrophobicContact CG-CB 4.21Å; F275-V322 HydrophobicContact CG-CG1 3.76Å; F275-V322 HydrophobicContact CG-CG2 3.78Å; F275-V322 HydrophobicContact CZ-CG2 3.93Å; F275-F331 WeakPolarHBondContact O-CA 3.09Å; F275-Q332 HydrophobicContact CB-CB 4.26Å; F275-Q332 WeakPolarHBondContact CD2-O 3.43Å; F275-Q332 PolarHBondContact N-O 2.74Å; F275-Q332 PolarHBondContact O-N 3.46Å; F275-V334 HydrophobicContact CD2-CG2 4.32Å; F275-V334 HydrophobicContact CE2-CB 4.06Å; F275-V334 HydrophobicContact CE2-CG2 4.13Å
276	L	92.1	Very high	90.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	173	-177.4	74.4	176.2	0	0	0	110.4	L274 F283 A286 F305 V306 D307 T308 F331	L274-L276 HydrophobicContact CD2-CD1 4.1Å; L274-L276 HydrophobicContact CD2-CD2 4.38Å; L274-L276 HydrophobicContact CG-CD2 4.16Å; L274-L276 VanDerWaalsContact O-CD2 3.31Å; L274-L276 WeakPolarHBondContact O-CD2 3.48Å; L276-F283 HydrophobicContact CD1-CD2 3.48Å; L276-F283 VanDerWaalsContact CD1-CD2 3.48Å; L276-F283 HydrophobicContact CD1-CE2 3.99Å; L276-F283 HydrophobicContact CD1-CG 4.47Å; L276-F283 HydrophobicContact CD2-CE2 4.45Å; L276-F283 HydrophobicContact CG-CD2 3.94Å; L276-F283 HydrophobicContact CG-CE2 4.31Å; L276-A286 HydrophobicContact CD1-CB 4.25Å; L276-F305 HydrophobicContact CD2-CB 3.84Å; L276-F305 HydrophobicContact CD2-CD2 4.04Å; L276-F305 HydrophobicContact CD2-CG 4.39Å; L276-V306 PolarHBondContact N-O 2.91Å; L276-V306 VanDerWaalsContact N-O 3.15Å; L276-D307 CarbonylContact O-C 3.56Å; L276-D307 WeakPolarHBondContact O-CA 3.35Å; L276-T308 PolarHBondContact O-N 2.97Å; L276-T308 PolarHBondContact O-OG1 3.32Å; L276-F331 HydrophobicContact CB-CD1 3.83Å; L276-F331 HydrophobicContact CB-CE1 4.2Å; L276-F331 HydrophobicContact CD1-CD1 4.36Å; L276-F331 HydrophobicContact CD1-CE1 4.33Å
277	I	90.5	Very high	91.3	Very high	66 Å²	66	42.1 Å²	42.1	34%	0.338	22%	0.222	S	C	.	.			trans	-100	119.6	176.2	-63.9	169.8	0	0	0	108.7	S279 D280 T308 A309	I277-S279 VanDerWaalsContact C-N 3.29Å; I277-S279 VanDerWaalsContact CG2-OG 3.22Å; I277-S279 WeakPolarHBondContact CG2-OG 3.41Å; I277-S279 PolarHBondContact O-N 3.44Å; I277-D280 HydrophobicContact CB-CB 4.18Å; I277-D280 HydrophobicContact CG2-CB 4.29Å; I277-D280 WeakPolarHBondContact O-CB 3.34Å; I277-D280 PolarHBondContact O-N 3.5Å; I277-T308 VanDerWaalsContact CG1-OG1 3.28Å; I277-T308 WeakPolarHBondContact CG1-OG1 3.25Å; I277-A309 HydrophobicContact CG2-CB 4.05Å
278	Q	92	Very high	92	Very high	76 Å²	76	42 Å²	42	36%	0.355	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.1	-176.1	-176.1	169.9	2.3	0	0	113.4	D280 F283 D307	Q278-D280 VanDerWaalsContact C-N 3.28Å; Q278-D280 PolarHBondContact O-N 3.34Å; Q278-F283 HydrophobicContact CB-CD2 4.19Å; Q278-F283 HydrophobicContact CB-CE2 4.1Å; Q278-F283 HydrophobicContact CG-CD1 4.41Å; Q278-F283 HydrophobicContact CG-CD2 4.18Å; Q278-F283 HydrophobicContact CG-CE1 4.11Å; Q278-F283 HydrophobicContact CG-CE2 3.86Å; Q278-F283 HydrophobicContact CG-CG 4.44Å; Q278-F283 HydrophobicContact CG-CZ 3.81Å; Q278-D307 HydrophobicContact CB-CB 4Å; Q278-D307 PolarHBondContact N-OD1 3.3Å
279	S	90.7	Very high	92.4	Very high	105 Å²	105	43 Å²	43	73%	0.734	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-3.2	176.4	57.2	0	0	0	0	114.2	I277	I277-S279 VanDerWaalsContact C-N 3.29Å; I277-S279 VanDerWaalsContact CG2-OG 3.22Å; I277-S279 WeakPolarHBondContact CG2-OG 3.41Å; I277-S279 PolarHBondContact O-N 3.44Å
280	D	87.4	Confident	92.8	Very high	31 Å²	31	38.5 Å²	38.5	17%	0.166	21%	0.205	C	C	.	.	S	Bend	trans	-75.1	143.6	178	-157.9	-31.4	0	0	0	110.9	I277 Q278 E282 F283 R330	I277-D280 HydrophobicContact CB-CB 4.18Å; I277-D280 HydrophobicContact CG2-CB 4.29Å; I277-D280 WeakPolarHBondContact O-CB 3.34Å; I277-D280 PolarHBondContact O-N 3.5Å; Q278-D280 VanDerWaalsContact C-N 3.28Å; Q278-D280 PolarHBondContact O-N 3.34Å; D280-E282 PolarHBondContact O-N 2.97Å; D280-E282 VanDerWaalsContact O-N 3.15Å; D280-F283 VanDerWaalsContact O-CB 3.23Å; D280-F283 WeakPolarHBondContact O-CB 3.35Å; D280-F283 PolarHBondContact O-N 2.99Å; D280-R330 IonicContact OD1-CZ 2.71Å; D280-R330 IonicContact OD1-NH1 3.87Å; D280-R330 PolarHBondContact OD1-NH1 3.11Å; D280-R330 WeakPolarHBondContact OD2-CD 3.04Å; D280-R330 IonicContact OD2-CZ 3.97Å; D280-R330 IonicContact OD2-NE 2.87Å; D280-R330 IonicContact OD2-NH1 3.77Å; D280-R330 PolarHBondContact OD2-NH1 2.93Å
281	F	87.9	Confident	93	Very high	162 Å²	162	40.2 Å²	40.2	71%	0.711	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.3	-178.5	72.9	-89.3	0	0	0	112.8	P284	F281-P284 WeakPolarHBondContact O-CD 3.35Å
282	E	87.1	Confident	93.2	Very high	16 Å²	16	42.1 Å²	42.1	8%	0.075	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-13.5	177.8	-71.5	-168.5	151.8	0	0	114.1	D280 P284 L285 A286 R330 F331 M367	D280-E282 PolarHBondContact O-N 2.97Å; D280-E282 VanDerWaalsContact O-N 3.15Å; E282-P284 VanDerWaalsContact C-CD 3.47Å; E282-L285 PolarHBondContact O-N 3.48Å; E282-L285 VanDerWaalsContact O-N 3.11Å; E282-A286 PolarHBondContact O-N 2.88Å; E282-R330 IonicContact OE1-NH2 2.69Å; E282-R330 PolarHBondContact OE1-NH2 2.79Å; E282-R330 VanDerWaalsContact OE1-NH2 3.14Å; E282-R330 IonicContact OE2-CZ 3.63Å; E282-R330 IonicContact OE2-NE 3.58Å; E282-R330 PolarHBondContact OE2-NE 2.99Å; E282-R330 VanDerWaalsContact OE2-NE 3.08Å; E282-R330 IonicContact OE2-NH2 2.82Å; E282-R330 PolarHBondContact OE2-NH2 3.19Å; E282-F331 HydrophobicContact CB-CZ 3.9Å; E282-F331 WeakPolarHBondContact OE2-CE2 3.47Å; E282-F331 WeakPolarHBondContact OE2-CZ 3.28Å; E282-M367 HydrophobicContact CB-CE 3.68Å; E282-M367 HydrophobicContact CG-CE 3.77Å
283	F	92.1	Very high	93.3	Very high	28 Å²	28	42.1 Å²	42.1	12%	0.123	22%	0.22	C	C	.	.	H	α-helix	trans	-49	-48.3	-175.6	170	-94.9	0	0	0	113.4	L276 Q278 D280 L285 A286 L287 F305	L276-F283 HydrophobicContact CD1-CD2 3.48Å; L276-F283 VanDerWaalsContact CD1-CD2 3.48Å; L276-F283 HydrophobicContact CD1-CE2 3.99Å; L276-F283 HydrophobicContact CD1-CG 4.47Å; L276-F283 HydrophobicContact CD2-CE2 4.45Å; L276-F283 HydrophobicContact CG-CD2 3.94Å; L276-F283 HydrophobicContact CG-CE2 4.31Å; Q278-F283 HydrophobicContact CB-CD2 4.19Å; Q278-F283 HydrophobicContact CB-CE2 4.1Å; Q278-F283 HydrophobicContact CG-CD1 4.41Å; Q278-F283 HydrophobicContact CG-CD2 4.18Å; Q278-F283 HydrophobicContact CG-CE1 4.11Å; Q278-F283 HydrophobicContact CG-CE2 3.86Å; Q278-F283 HydrophobicContact CG-CG 4.44Å; Q278-F283 HydrophobicContact CG-CZ 3.81Å; D280-F283 VanDerWaalsContact O-CB 3.23Å; D280-F283 WeakPolarHBondContact O-CB 3.35Å; D280-F283 PolarHBondContact O-N 2.99Å; F283-L285 VanDerWaalsContact C-N 3.33Å; F283-L285 PolarHBondContact O-N 3.48Å; F283-A286 PolarHBondContact O-N 3.25Å; F283-L287 HydrophobicContact CE1-CD2 3.89Å; F283-L287 HydrophobicContact CE2-CD2 4.34Å; F283-L287 HydrophobicContact CZ-CD2 3.62Å; F283-L287 VanDerWaalsContact O-CB 3.24Å; F283-L287 WeakPolarHBondContact O-CB 3.31Å; F283-L287 PolarHBondContact O-N 3.28Å; F283-F305 AromaticContact CE2-CD2 3.95Å; F283-F305 HydrophobicContact CE2-CD2 3.95Å; F283-F305 AromaticContact CE2-CE2 3.9Å; F283-F305 HydrophobicContact CE2-CE2 3.9Å; F283-F305 HydrophobicContact CZ-CD2 4.4Å; F283-F305 AromaticContact CZ-CE2 3.99Å; F283-F305 HydrophobicContact CZ-CE2 3.99Å; F283-F305 HydrophobicContact CZ-CZ 4.17Å
284	P	93.1	Very high	93.4	Very high	85 Å²	85	41.8 Å²	41.8	55%	0.552	22%	0.22	S	C	*	.	H	α-helix	trans	-61.9	-40.3	-177.7	-23.1	34.9	0	0	0	112.9	F281 E282 N288	F281-P284 WeakPolarHBondContact O-CD 3.35Å; E282-P284 VanDerWaalsContact C-CD 3.47Å; P284-N288 VanDerWaalsContact O-CB 3.27Å; P284-N288 WeakPolarHBondContact O-CB 3.26Å; P284-N288 PolarHBondContact O-N 3.38Å
285	L	93.9	Very high	93.3	Very high	87 Å²	87	46.6 Å²	46.6	46%	0.455	24%	0.24	S	C	.	.	H	α-helix	trans	-71.3	-46.3	-179.6	179.3	57.3	0	0	0	111.1	E282 F283 L287 N288 N289 M367	E282-L285 PolarHBondContact O-N 3.48Å; E282-L285 VanDerWaalsContact O-N 3.11Å; F283-L285 VanDerWaalsContact C-N 3.33Å; F283-L285 PolarHBondContact O-N 3.48Å; L285-L287 PolarHBondContact O-N 2.92Å; L285-N288 PolarHBondContact O-N 3.41Å; L285-N289 PolarHBondContact O-N 2.91Å; L285-M367 HydrophobicContact CB-CE 4.22Å; L285-M367 HydrophobicContact CD2-CE 3.84Å; L285-M367 HydrophobicContact CD2-CG 4.33Å; L285-M367 HydrophobicContact CD2-SD 4.36Å; L285-M367 HydrophobicContact CG-CE 4.06Å; L285-M367 HydrophobicContact CG-CG 4.45Å; L285-M367 HydrophobicContact CG-SD 4.12Å
286	A	93.8	Very high	93.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-45.2	177.5	0	0	0	0	0	111.6	L276 E282 F283 N288 N289 Y290 F331 M367 I368	L276-A286 HydrophobicContact CD1-CB 4.25Å; E282-A286 PolarHBondContact O-N 2.88Å; F283-A286 PolarHBondContact O-N 3.25Å; A286-N288 PolarHBondContact O-N 3.35Å; A286-N289 PolarHBondContact O-N 2.99Å; A286-Y290 WeakPolarHBondContact O-CB 3.38Å; A286-Y290 PolarHBondContact O-N 3.4Å; A286-F331 HydrophobicContact CB-CD1 3.85Å; A286-F331 HydrophobicContact CB-CE1 3.33Å; A286-F331 HydrophobicContact CB-CZ 3.82Å; A286-M367 HydrophobicContact CB-SD 3.85Å; A286-I368 HydrophobicContact CB-CG2 4.11Å
287	L	95.2	Very high	93.5	Very high	15 Å²	15	52.9 Å²	52.9	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-64.7	-38.6	177.2	-174	66.3	0	0	0	111.7	V252 F283 L285 Y290 R291 F305	V252-L287 HydrophobicContact CB-CD1 4.41Å; V252-L287 HydrophobicContact CG1-CD1 3.92Å; F283-L287 HydrophobicContact CE1-CD2 3.89Å; F283-L287 HydrophobicContact CE2-CD2 4.34Å; F283-L287 HydrophobicContact CZ-CD2 3.62Å; F283-L287 VanDerWaalsContact O-CB 3.24Å; F283-L287 WeakPolarHBondContact O-CB 3.31Å; F283-L287 PolarHBondContact O-N 3.28Å; L285-L287 PolarHBondContact O-N 2.92Å; L287-Y290 PolarHBondContact O-N 3.46Å; L287-R291 VanDerWaalsContact O-CB 3.25Å; L287-R291 WeakPolarHBondContact O-CB 3.25Å; L287-R291 PolarHBondContact O-N 2.82Å; L287-F305 HydrophobicContact CD1-CB 4.12Å; L287-F305 HydrophobicContact CD1-CD1 3.81Å; L287-F305 HydrophobicContact CD1-CG 4.08Å
288	N	95.5	Very high	93.4	Very high	65 Å²	65	51.9 Å²	51.9	35%	0.348	27%	0.265	S	S	.	.	H	α-helix	trans	-66.3	-44	176.2	-171.2	59.5	0	0	0	112.2	P284 L285 A286 Y290 R291 N292	P284-N288 VanDerWaalsContact O-CB 3.27Å; P284-N288 WeakPolarHBondContact O-CB 3.26Å; P284-N288 PolarHBondContact O-N 3.38Å; L285-N288 PolarHBondContact O-N 3.41Å; A286-N288 PolarHBondContact O-N 3.35Å; N288-Y290 VanDerWaalsContact C-N 3.28Å; N288-Y290 PolarHBondContact O-N 3.38Å; N288-R291 PolarHBondContact O-N 3.41Å; N288-N292 PolarHBondContact ND2-ND2 2.82Å; N288-N292 WeakPolarHBondContact O-CB 3.44Å; N288-N292 VanDerWaalsContact O-CG 3.25Å; N288-N292 PolarHBondContact O-N 3.25Å; N288-N292 PolarHBondContact O-ND2 3.27Å
289	N	96.3	Very high	93.2	Very high	26 Å²	26	55.1 Å²	55.1	14%	0.139	28%	0.278	C	S	.	.	H	α-helix	trans	-59.6	-42.7	176.3	-73.4	-11.1	0	0	0	111.4	L285 A286 A293 I368 T370	L285-N289 PolarHBondContact O-N 2.91Å; A286-N289 PolarHBondContact O-N 2.99Å; N289-A293 PolarHBondContact O-N 2.97Å; N289-I368 WeakPolarHBondContact CB-O 2.93Å; N289-I368 PolarHBondContact ND2-O 3.29Å; N289-T370 VanDerWaalsContact CA-OG1 3.24Å; N289-T370 WeakPolarHBondContact CA-OG1 3.29Å; N289-T370 PolarHBondContact O-OG1 3.19Å
290	Y	97.3	Very high	93.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.3	-46.8	175.4	-176.4	-131.8	0	0	0	112.7	V252 V272 L274 A286 L287 N288 N292 A293 C294 C303 Y304 L333 I373 F377	V252-Y290 HydrophobicContact CG1-CD1 3.73Å; V252-Y290 HydrophobicContact CG1-CE1 3.56Å; V252-Y290 HydrophobicContact CG2-CD1 3.92Å; V252-Y290 HydrophobicContact CG2-CE1 4.12Å; V272-Y290 HydrophobicContact CG1-CE2 4.2Å; V272-Y290 WeakPolarHBondContact CG1-OH 3.26Å; V272-Y290 PolarHBondContact O-OH 2.7Å; V272-Y290 VanDerWaalsContact O-OH 3.13Å; L274-Y290 HydrophobicContact CB-CD1 3.83Å; L274-Y290 HydrophobicContact CB-CE1 3.7Å; L274-Y290 HydrophobicContact CB-CE2 4.42Å; L274-Y290 HydrophobicContact CB-CG 4.26Å; L274-Y290 HydrophobicContact CD2-CD1 3.72Å; L274-Y290 HydrophobicContact CD2-CE1 4.45Å; L274-Y290 HydrophobicContact CD2-CG 3.77Å; L274-Y290 HydrophobicContact CG-CD1 4.42Å; A286-Y290 WeakPolarHBondContact O-CB 3.38Å; A286-Y290 PolarHBondContact O-N 3.4Å; L287-Y290 PolarHBondContact O-N 3.46Å; N288-Y290 VanDerWaalsContact C-N 3.28Å; N288-Y290 PolarHBondContact O-N 3.38Å; Y290-N292 VanDerWaalsContact C-N 3.32Å; Y290-N292 PolarHBondContact O-N 3.15Å; Y290-A293 PolarHBondContact O-N 3.4Å; Y290-C294 WeakPolarHBondContact CE2-SG 3.46Å; Y290-C294 VanDerWaalsContact CZ-SG 3.53Å; Y290-C294 PolarHBondContact O-N 2.84Å; Y290-C294 PolarHBondContact O-SG 2.81Å; Y290-C294 VanDerWaalsContact O-SG 3.32Å; Y290-C303 HydrophobicContact CE1-CB 3.94Å; Y290-C303 WeakPolarHBondContact OH-CA 3.31Å; Y290-C303 VanDerWaalsContact OH-CB 3.25Å; Y290-C303 WeakPolarHBondContact OH-CB 3.49Å; Y290-C303 PolarHBondContact OH-SG 3.45Å; Y290-Y304 WeakPolarHBondContact CE1-O 3.47Å; Y290-Y304 PolarHBondContact OH-O 3.08Å; Y290-L333 HydrophobicContact CD2-CD1 4.18Å; Y290-L333 HydrophobicContact CE2-CD1 3.56Å; Y290-I373 HydrophobicContact CD2-CD1 4.05Å; Y290-I373 HydrophobicContact CD2-CG2 4.04Å; Y290-I373 HydrophobicContact CE2-CG2 4.35Å; Y290-F377 AromaticContact CE2-CZ 3.88Å; Y290-F377 HydrophobicContact CE2-CZ 3.88Å
291	R	95.9	Very high	93.4	Very high	54 Å²	54	52 Å²	52	20%	0.204	25%	0.25	C	S	.	.	H	α-helix	trans	-58.1	-44	177	-173.4	-175.6	-64.9	116.9	-2.6	111.8	I251 V252 L287 N288 A293 C294 K295	I251-R291 HydrophobicContact CB-CG 4.18Å; I251-R291 HydrophobicContact CD1-CG 4.38Å; I251-R291 HydrophobicContact CG2-CG 3.87Å; V252-R291 HydrophobicContact CG2-CB 3.93Å; V252-R291 HydrophobicContact CG2-CG 4.2Å; L287-R291 VanDerWaalsContact O-CB 3.25Å; L287-R291 WeakPolarHBondContact O-CB 3.25Å; L287-R291 PolarHBondContact O-N 2.82Å; N288-R291 PolarHBondContact O-N 3.41Å; R291-A293 VanDerWaalsContact C-N 3.3Å; R291-A293 PolarHBondContact O-N 3.2Å; R291-C294 PolarHBondContact O-N 3.14Å; R291-K295 WeakPolarHBondContact O-CG 3.46Å; R291-K295 PolarHBondContact O-N 2.88Å
292	N	96.4	Very high	93.6	Very high	57 Å²	57	45.9 Å²	45.9	31%	0.305	22%	0.222	S	C	.	.	H	α-helix	trans	-60.8	-39.4	178.3	-72.3	-22	0	0	0	112.3	N288 Y290 T370	N288-N292 PolarHBondContact ND2-ND2 2.82Å; N288-N292 WeakPolarHBondContact O-CB 3.44Å; N288-N292 VanDerWaalsContact O-CG 3.25Å; N288-N292 PolarHBondContact O-N 3.25Å; N288-N292 PolarHBondContact O-ND2 3.27Å; Y290-N292 VanDerWaalsContact C-N 3.32Å; Y290-N292 PolarHBondContact O-N 3.15Å; N292-T370 HydrophobicContact CB-CG2 3.89Å
293	A	97.9	Very high	93.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68.1	-49.4	173.3	0	0	0	0	0	111.1	N289 Y290 R291 K295 L296 F297 T370 I373 I374	N289-A293 PolarHBondContact O-N 2.97Å; Y290-A293 PolarHBondContact O-N 3.4Å; R291-A293 VanDerWaalsContact C-N 3.3Å; R291-A293 PolarHBondContact O-N 3.2Å; A293-K295 VanDerWaalsContact C-N 3.25Å; A293-K295 PolarHBondContact O-N 3.08Å; A293-L296 WeakPolarHBondContact O-CB 3.05Å; A293-L296 PolarHBondContact O-N 2.74Å; A293-F297 WeakPolarHBondContact O-CD2 3.35Å; A293-T370 HydrophobicContact CB-CG2 4.16Å; A293-I373 HydrophobicContact CB-CB 3.65Å; A293-I373 HydrophobicContact CB-CD1 4.47Å; A293-I373 HydrophobicContact CB-CG2 3.39Å; A293-I374 HydrophobicContact CB-CG1 3.9Å
294	C	96.4	Very high	94	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-58	-32.5	-178.9	-70.4	0	0	0	0	113.9	I251 V252 Y290 R291 L296 F297 R298 C303	I251-C294 HydrophobicContact CG2-CB 3.69Å; V252-C294 HydrophobicContact CG2-CB 4.19Å; Y290-C294 WeakPolarHBondContact CE2-SG 3.46Å; Y290-C294 VanDerWaalsContact CZ-SG 3.53Å; Y290-C294 PolarHBondContact O-N 2.84Å; Y290-C294 PolarHBondContact O-SG 2.81Å; Y290-C294 VanDerWaalsContact O-SG 3.32Å; R291-C294 PolarHBondContact O-N 3.14Å; C294-L296 PolarHBondContact O-N 2.74Å; C294-F297 PolarHBondContact O-N 3.07Å; C294-F297 VanDerWaalsContact O-N 3.07Å; C294-R298 PolarHBondContact O-N 2.79Å; C294-C303 HydrophobicContact CB-CB 3.81Å; C294-C303 WeakPolarHBondContact CB-SG 3.39Å; C294-C303 WeakPolarHBondContact SG-CB 3.1Å; C294-C303 CovalentContact SG-SG 2.04Å; C294-C303 PolarHBondContact SG-SG 3.2Å
295	K	93.9	Very high	94.1	Very high	101 Å²	101	41.2 Å²	41.2	44%	0.439	19%	0.193	S	C	.	.	H	α-helix	trans	-51.9	-38.2	173.8	-79.1	178.3	179.3	-179.5	0	112.6	I251 R291 A293 F297	I251-K295 HydrophobicContact CD1-CD 4.11Å; I251-K295 VanDerWaalsContact CD1-CE 3.42Å; I251-K295 HydrophobicContact CD1-CG 3.58Å; I251-K295 HydrophobicContact CG1-CG 4.25Å; I251-K295 HydrophobicContact CG2-CG 3.97Å; R291-K295 WeakPolarHBondContact O-CG 3.46Å; R291-K295 PolarHBondContact O-N 2.88Å; A293-K295 VanDerWaalsContact C-N 3.25Å; A293-K295 PolarHBondContact O-N 3.08Å; K295-F297 VanDerWaalsContact C-N 3.31Å; K295-F297 PolarHBondContact O-N 3.18Å
296	L	95.8	Very high	94.1	Very high	117 Å²	117	37 Å²	37	61%	0.613	17%	0.171	S	C	*	.	H	α-helix	trans	-75	-19.1	-176.7	-59.1	176.4	0	0	0	113.2	A293 C294 I374	A293-L296 WeakPolarHBondContact O-CB 3.05Å; A293-L296 PolarHBondContact O-N 2.74Å; C294-L296 PolarHBondContact O-N 2.74Å; L296-I374 HydrophobicContact CD1-CD1 3.57Å; L296-I374 HydrophobicContact CD1-CG1 4.01Å
297	F	95	Very high	94.1	Very high	18 Å²	18	38 Å²	38	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-122.1	12.2	-171.7	-60.8	-89.5	0	0	0	113.9	A293 C294 K295 K299 E300 I301 I374 F377 D378 L381	A293-F297 WeakPolarHBondContact O-CD2 3.35Å; C294-F297 PolarHBondContact O-N 3.07Å; C294-F297 VanDerWaalsContact O-N 3.07Å; K295-F297 VanDerWaalsContact C-N 3.31Å; K295-F297 PolarHBondContact O-N 3.18Å; F297-K299 PolarHBondContact O-N 3.34Å; F297-E300 PolarHBondContact O-N 3.22Å; F297-I301 HydrophobicContact CB-CB 4Å; F297-I301 HydrophobicContact CB-CD1 3.99Å; F297-I301 HydrophobicContact CB-CG1 4.13Å; F297-I301 HydrophobicContact CD1-CD1 4.25Å; F297-I301 HydrophobicContact CG-CD1 4.2Å; F297-I301 PolarHBondContact O-N 3.47Å; F297-I374 HydrophobicContact CE2-CB 4.46Å; F297-I374 HydrophobicContact CE2-CG1 4.29Å; F297-I374 HydrophobicContact CE2-CG2 4.21Å; F297-I374 HydrophobicContact CZ-CG2 4.21Å; F297-F377 HydrophobicContact CB-CD2 4.28Å; F297-F377 HydrophobicContact CD1-CB 4.15Å; F297-F377 HydrophobicContact CD2-CB 4.01Å; F297-F377 AromaticContact CD2-CD2 3.48Å; F297-F377 HydrophobicContact CD2-CD2 3.48Å; F297-F377 VanDerWaalsContact CD2-CD2 3.48Å; F297-F377 HydrophobicContact CD2-CE2 4.42Å; F297-F377 HydrophobicContact CD2-CG 4.25Å; F297-F377 HydrophobicContact CE1-CB 3.94Å; F297-F377 HydrophobicContact CE2-CB 3.81Å; F297-F377 AromaticContact CE2-CD2 3.9Å; F297-F377 HydrophobicContact CE2-CD2 3.9Å; F297-F377 HydrophobicContact CE2-CG 4.38Å; F297-F377 HydrophobicContact CG-CB 4.16Å; F297-F377 AromaticContact CG-CD2 3.93Å; F297-F377 HydrophobicContact CG-CD2 3.93Å; F297-F377 HydrophobicContact CG-CG 4.49Å; F297-F377 HydrophobicContact CZ-CB 3.76Å; F297-D378 WeakPolarHBondContact CE1-OD1 3.47Å; F297-D378 WeakPolarHBondContact CZ-OD1 3.04Å; F297-L381 HydrophobicContact CD1-CD1 3.55Å; F297-L381 HydrophobicContact CE1-CD1 3.87Å
298	R	87.1	Confident	93.9	Very high	45 Å²	45	38.6 Å²	38.6	17%	0.17	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-32	-172.1	-177.1	173.6	177.1	79.2	-10.2	115.6	I246 E247 L249 P250 C294	I246-R298 HydrophobicContact CG2-CG 3.9Å; I246-R298 PolarHBondContact O-NH2 3.35Å; I246-R298 VanDerWaalsContact O-NH2 3.12Å; E247-R298 PolarHBondContact O-NH2 2.83Å; E247-R298 IonicContact OE1-NE 2.98Å; E247-R298 IonicContact OE2-CZ 3.3Å; E247-R298 IonicContact OE2-NE 2.59Å; E247-R298 PolarHBondContact OE2-NE 3.14Å; E247-R298 IonicContact OE2-NH2 2.82Å; E247-R298 PolarHBondContact OE2-NH2 3.28Å; L249-R298 PolarHBondContact O-NH1 2.95Å; L249-R298 VanDerWaalsContact O-NH1 3.07Å; L249-R298 PolarHBondContact O-NH2 2.9Å; P250-R298 PolarHBondContact O-NH1 2.83Å; C294-R298 PolarHBondContact O-N 2.79Å
299	K	87.8	Confident	93.6	Very high	144 Å²	144	38.2 Å²	38.2	63%	0.626	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-16.1	-178.2	-65.3	-175.1	178.8	-179	0	114.6	T267 F297	T267-K299 CarbonylContact C-O 3.39Å; T267-K299 WeakPolarHBondContact CB-O 3.34Å; T267-K299 PolarHBondContact OG1-O 3.47Å; F297-K299 PolarHBondContact O-N 3.34Å
300	E	91	Very high	93.3	Very high	67 Å²	67	39.8 Å²	39.8	31%	0.313	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-27.2	-174.4	-64.4	-177.9	91.7	0	0	113	K269 H270 F297 L381	K269-E300 WeakPolarHBondContact CE-OE1 3.17Å; K269-E300 PolarHBondContact N-O 3.01Å; K269-E300 IonicContact NZ-OE1 3.76Å; K269-E300 PolarHBondContact NZ-OE1 3.01Å; H270-E300 PolarHBondContact N-O 3.1Å; F297-E300 PolarHBondContact O-N 3.22Å; E300-L381 HydrophobicContact CB-CD1 4.31Å; E300-L381 HydrophobicContact CB-CD2 4.05Å
301	I	92.8	Very high	92.9	Very high	3 Å²	3	48 Å²	48	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.5	-176.9	-61.5	-179.6	0	0	0	109.1	H270 V272 F297 F377 L380 L381	H270-I301 WeakPolarHBondContact O-CA 3.42Å; V272-I301 HydrophobicContact CB-CG2 4.04Å; V272-I301 HydrophobicContact CG2-CG2 3.41Å; V272-I301 VanDerWaalsContact CG2-CG2 3.41Å; F297-I301 HydrophobicContact CB-CB 4Å; F297-I301 HydrophobicContact CB-CD1 3.99Å; F297-I301 HydrophobicContact CB-CG1 4.13Å; F297-I301 HydrophobicContact CD1-CD1 4.25Å; F297-I301 HydrophobicContact CG-CD1 4.2Å; F297-I301 PolarHBondContact O-N 3.47Å; I301-F377 HydrophobicContact CD1-CB 3.6Å; I301-F377 HydrophobicContact CD1-CD1 3.81Å; I301-F377 HydrophobicContact CD1-CD2 3.84Å; I301-F377 HydrophobicContact CD1-CE1 4.4Å; I301-F377 HydrophobicContact CD1-CE2 4.39Å; I301-F377 HydrophobicContact CD1-CG 3.48Å; I301-F377 VanDerWaalsContact CD1-CG 3.48Å; I301-F377 HydrophobicContact CG2-CE1 4.43Å; I301-F377 HydrophobicContact CG2-CE2 4.28Å; I301-F377 HydrophobicContact CG2-CZ 4.11Å; I301-L380 HydrophobicContact CD1-CD2 4.34Å; I301-L381 HydrophobicContact CD1-CD1 4.14Å; I301-L381 HydrophobicContact CD1-CD2 4.47Å; I301-L381 HydrophobicContact CD1-CG 4.19Å; I301-L381 HydrophobicContact CG1-CD1 4.48Å; I301-L381 HydrophobicContact CG1-CD2 4.29Å
302	R	90.4	Very high	92.5	Very high	33 Å²	33	50.7 Å²	50.7	13%	0.125	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.4	173.5	-173.4	166.8	44.2	162.1	-21.9	109.4	F245 I268 H270 D271 V272 Y304	F245-R302 VanDerWaalsContact CZ-NH1 3.34Å; I268-R302 HydrophobicContact CD1-CB 4.4Å; I268-R302 HydrophobicContact CG2-CB 4.04Å; H270-R302 PolarHBondContact O-N 2.98Å; D271-R302 VanDerWaalsContact CG-NH2 3.31Å; D271-R302 WeakPolarHBondContact OD1-CB 3.27Å; D271-R302 IonicContact OD1-CZ 3.01Å; D271-R302 IonicContact OD1-NE 2.92Å; D271-R302 PolarHBondContact OD1-NE 3.29Å; D271-R302 IonicContact OD1-NH2 3.44Å; D271-R302 PolarHBondContact OD1-NH2 2.84Å; D271-R302 IonicContact OD2-CZ 2.66Å; D271-R302 IonicContact OD2-NH2 3.97Å; D271-R302 PolarHBondContact OD2-NH2 2.88Å; D271-R302 VanDerWaalsContact OD2-NH2 3.1Å; V272-R302 PolarHBondContact N-O 3.48Å; R302-Y304 HydrophobicContact CB-CE2 4.31Å; R302-Y304 WeakPolarHBondContact CD-OH 3.15Å; R302-Y304 HydrophobicContact CG-CE2 3.62Å; R302-Y304 PolarHBondContact NE-OH 2.81Å; R302-Y304 PolarHBondContact NH1-OH 2.83Å; R302-Y304 VanDerWaalsContact NH1-OH 3.08Å
303	C	94	Very high	92.2	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.3	-172.3	-69.7	0	0	0	0	112.3	I251 V252 N253 Y290 C294	I251-C303 WeakPolarHBondContact O-CB 3.23Å; V252-C303 HydrophobicContact CG1-CB 4.48Å; V252-C303 HydrophobicContact CG2-CB 4.19Å; N253-C303 PolarHBondContact N-O 3.01Å; N253-C303 PolarHBondContact ND2-O 3Å; Y290-C303 HydrophobicContact CE1-CB 3.94Å; Y290-C303 WeakPolarHBondContact OH-CA 3.31Å; Y290-C303 VanDerWaalsContact OH-CB 3.25Å; Y290-C303 WeakPolarHBondContact OH-CB 3.49Å; Y290-C303 PolarHBondContact OH-SG 3.45Å; C294-C303 HydrophobicContact CB-CB 3.81Å; C294-C303 WeakPolarHBondContact CB-SG 3.39Å; C294-C303 WeakPolarHBondContact SG-CB 3.1Å; C294-C303 CovalentContact SG-SG 2.04Å; C294-C303 PolarHBondContact SG-SG 3.2Å
304	Y	94.2	Very high	91.6	Very high	14 Å²	14	51.5 Å²	51.5	6%	0.055	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.1	174.7	-58.8	-90.1	0	0	0	110.3	N253 L260 D271 V272 Y273 L274 Y290 R302	N253-Y304 HydrophobicContact CB-CD1 3.55Å; N253-Y304 HydrophobicContact CB-CE1 3.77Å; N253-Y304 HydrophobicContact CB-CG 4.47Å; N253-Y304 CarbonylContact O-C 3.58Å; N253-Y304 WeakPolarHBondContact O-CA 3.02Å; L260-Y304 HydrophobicContact CD2-CD1 4.44Å; L260-Y304 HydrophobicContact CD2-CE1 3.56Å; L260-Y304 HydrophobicContact CD2-CE2 4.08Å; L260-Y304 WeakPolarHBondContact CD2-OH 3.13Å; D271-Y304 HydrophobicContact CB-CE2 4.31Å; V272-Y304 PolarHBondContact O-N 3.14Å; Y273-Y304 CarbonylContact C-O 3.57Å; Y273-Y304 WeakPolarHBondContact CA-O 3.41Å; Y273-Y304 AromaticContact CD1-CD2 3.91Å; Y273-Y304 HydrophobicContact CD1-CD2 3.91Å; Y273-Y304 AromaticContact CD1-CG 3.96Å; Y273-Y304 HydrophobicContact CD1-CG 3.96Å; Y273-Y304 AromaticContact CE1-CD2 3.47Å; Y273-Y304 HydrophobicContact CE1-CD2 3.47Å; Y273-Y304 VanDerWaalsContact CE1-CD2 3.47Å; Y273-Y304 HydrophobicContact CE1-CE2 4.11Å; Y273-Y304 AromaticContact CE1-CG 3.76Å; Y273-Y304 HydrophobicContact CE1-CG 3.76Å; L274-Y304 PolarHBondContact N-O 2.68Å; Y290-Y304 WeakPolarHBondContact CE1-O 3.47Å; Y290-Y304 PolarHBondContact OH-O 3.08Å; R302-Y304 HydrophobicContact CB-CE2 4.31Å; R302-Y304 WeakPolarHBondContact CD-OH 3.15Å; R302-Y304 HydrophobicContact CG-CE2 3.62Å; R302-Y304 PolarHBondContact NE-OH 2.81Å; R302-Y304 PolarHBondContact NH1-OH 2.83Å; R302-Y304 VanDerWaalsContact NH1-OH 3.08Å
305	F	95.3	Very high	91.1	Very high	15 Å²	15	58.3 Å²	58.3	7%	0.066	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	147.9	160	80	-91.8	0	0	0	109.9	V252 N253 E254 F255 L274 L276 F283 L287	V252-F305 HydrophobicContact CG1-CB 4.29Å; V252-F305 HydrophobicContact CG1-CD1 4.01Å; N253-F305 WeakPolarHBondContact O-CD1 3.18Å; N253-F305 PolarHBondContact O-N 3.42Å; E254-F305 VanDerWaalsContact CA-CE1 3.48Å; E254-F305 HydrophobicContact CB-CD1 4.37Å; E254-F305 HydrophobicContact CB-CE1 3.56Å; E254-F305 HydrophobicContact CB-CE2 4.23Å; E254-F305 HydrophobicContact CB-CZ 3.48Å; E254-F305 VanDerWaalsContact CB-CZ 3.48Å; E254-F305 HydrophobicContact CG-CE1 4.08Å; E254-F305 HydrophobicContact CG-CE2 3.79Å; E254-F305 HydrophobicContact CG-CZ 3.49Å; E254-F305 VanDerWaalsContact CG-CZ 3.49Å; F255-F305 WeakPolarHBondContact CB-O 3.27Å; F255-F305 PolarHBondContact N-O 3.3Å; L274-F305 HydrophobicContact CB-CB 4.49Å; L274-F305 CarbonylContact O-C 3.52Å; L274-F305 VanDerWaalsContact O-CA 3.26Å; L274-F305 WeakPolarHBondContact O-CA 3.24Å; L276-F305 HydrophobicContact CD2-CB 3.84Å; L276-F305 HydrophobicContact CD2-CD2 4.04Å; L276-F305 HydrophobicContact CD2-CG 4.39Å; F283-F305 AromaticContact CE2-CD2 3.95Å; F283-F305 HydrophobicContact CE2-CD2 3.95Å; F283-F305 AromaticContact CE2-CE2 3.9Å; F283-F305 HydrophobicContact CE2-CE2 3.9Å; F283-F305 HydrophobicContact CZ-CD2 4.4Å; F283-F305 AromaticContact CZ-CE2 3.99Å; F283-F305 HydrophobicContact CZ-CE2 3.99Å; F283-F305 HydrophobicContact CZ-CZ 4.17Å; L287-F305 HydrophobicContact CD1-CB 4.12Å; L287-F305 HydrophobicContact CD1-CD1 3.81Å; L287-F305 HydrophobicContact CD1-CG 4.08Å
306	V	94.6	Very high	90.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115.2	-177.7	-174.6	0	0	0	0	107.8	F255 Y273 L274 F275 L276 T308 N313 F316	F255-V306 HydrophobicContact CB-CB 4.4Å; F255-V306 HydrophobicContact CB-CG2 3.69Å; F255-V306 HydrophobicContact CD1-CG1 4.16Å; F255-V306 HydrophobicContact CD1-CG2 4.34Å; F255-V306 HydrophobicContact CG-CG2 4.06Å; Y273-V306 HydrophobicContact CD1-CG2 4.09Å; L274-V306 PolarHBondContact O-N 3.17Å; F275-V306 HydrophobicContact CD1-CB 3.62Å; F275-V306 HydrophobicContact CD1-CG1 3.78Å; F275-V306 HydrophobicContact CD1-CG2 4Å; F275-V306 HydrophobicContact CE1-CB 3.85Å; F275-V306 HydrophobicContact CE1-CG1 3.79Å; F275-V306 HydrophobicContact CE1-CG2 3.79Å; F275-V306 HydrophobicContact CG-CB 4.24Å; F275-V306 HydrophobicContact CZ-CG2 4.13Å; L276-V306 PolarHBondContact N-O 2.91Å; L276-V306 VanDerWaalsContact N-O 3.15Å; V306-T308 PolarHBondContact O-N 3.19Å; V306-N313 HydrophobicContact CG1-CB 3.79Å; V306-F316 HydrophobicContact CG1-CD1 4.25Å; V306-F316 HydrophobicContact CG2-CD1 4.23Å; V306-F316 HydrophobicContact CG2-CE1 3.85Å
307	D	93.8	Very high	90.4	Very high	21 Å²	21	49 Å²	49	11%	0.112	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	111.6	172	-179.4	28	0	0	0	110.1	L276 Q278 A309 N310 N313	L276-D307 CarbonylContact O-C 3.56Å; L276-D307 WeakPolarHBondContact O-CA 3.35Å; Q278-D307 HydrophobicContact CB-CB 4Å; Q278-D307 PolarHBondContact N-OD1 3.3Å; D307-A309 VanDerWaalsContact C-N 3.31Å; D307-A309 PolarHBondContact OD1-N 3.25Å; D307-N310 PolarHBondContact O-N 2.89Å; D307-N313 WeakPolarHBondContact O-CB 3.5Å; D307-N313 PolarHBondContact O-ND2 3.03Å
308	T	90.6	Very high	89.9	Confident	26 Å²	26	52.4 Å²	52.4	16%	0.16	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-10.8	-178.8	56.1	0	0	0	0	113.5	F275 L276 I277 V306 N310 V324	F275-T308 HydrophobicContact CB-CG2 3.87Å; F275-T308 HydrophobicContact CD1-CG2 4.06Å; F275-T308 HydrophobicContact CG-CG2 4.49Å; L276-T308 PolarHBondContact O-N 2.97Å; L276-T308 PolarHBondContact O-OG1 3.32Å; I277-T308 VanDerWaalsContact CG1-OG1 3.28Å; I277-T308 WeakPolarHBondContact CG1-OG1 3.25Å; V306-T308 PolarHBondContact O-N 3.19Å; T308-N310 VanDerWaalsContact C-N 3.31Å; T308-V324 HydrophobicContact CG2-CG1 3.88Å
309	A	89.3	Confident	89.7	Confident	58 Å²	58	55 Å²	55	48%	0.479	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-20.2	171.3	0	0	0	0	0	112.5	I277 D307 E311	I277-A309 HydrophobicContact CG2-CB 4.05Å; D307-A309 VanDerWaalsContact C-N 3.31Å; D307-A309 PolarHBondContact OD1-N 3.25Å; A309-E311 PolarHBondContact O-N 2.04Å
310	N	90.5	Very high	89.7	Confident	59 Å²	59	49 Å²	49	32%	0.316	24%	0.243	S	C	.	.	S	Bend	trans	-80	114.6	175.3	-172.1	-20.7	0	0	0	110.8	D307 T308 I312 N313	D307-N310 PolarHBondContact O-N 2.89Å; T308-N310 VanDerWaalsContact C-N 3.31Å; N310-I312 PolarHBondContact O-N 3.01Å; N310-I312 VanDerWaalsContact O-N 3.12Å; N310-I312 WeakPolarHBondContact OD1-CB 3.35Å; N310-I312 PolarHBondContact OD1-N 3.17Å; N310-I312 VanDerWaalsContact OD1-N 3.09Å; N310-N313 WeakPolarHBondContact O-CB 3.47Å; N310-N313 PolarHBondContact O-N 3.44Å
311	E	87.2	Confident	89.3	Confident	173 Å²	173	46 Å²	46	81%	0.808	23%	0.23	S	C	*	.	H	α-helix	trans	-57.1	-29.7	-178.4	-65.3	-174.4	168.8	0	0	113.6	A309 N313 L314	A309-E311 PolarHBondContact O-N 2.04Å; E311-N313 PolarHBondContact O-N 2.84Å; E311-L314 VanDerWaalsContact O-CB 3.23Å; E311-L314 WeakPolarHBondContact O-CB 3.24Å; E311-L314 PolarHBondContact O-N 3.07Å
312	I	87.7	Confident	89	Confident	109 Å²	109	45.9 Å²	45.9	56%	0.559	23%	0.23	S	C	*	.	H	α-helix	trans	-58.6	-34.1	176	-63.9	175.4	0	0	0	110.6	I257 N310	I257-I312 HydrophobicContact CD1-CG2 3.36Å; I257-I312 HydrophobicContact CG1-CG2 4.03Å; N310-I312 PolarHBondContact O-N 3.01Å; N310-I312 VanDerWaalsContact O-N 3.12Å; N310-I312 WeakPolarHBondContact OD1-CB 3.35Å; N310-I312 PolarHBondContact OD1-N 3.17Å; N310-I312 VanDerWaalsContact OD1-N 3.09Å
313	N	90.4	Very high	88.2	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.032	23%	0.234	C	C	.	.	H	α-helix	trans	-81.8	-13.2	-179.2	-65.9	-24	0	0	0	113.3	F255 V306 D307 N310 E311 K315 F316 S317	F255-N313 WeakPolarHBondContact CD1-OD1 2.96Å; V306-N313 HydrophobicContact CG1-CB 3.79Å; D307-N313 WeakPolarHBondContact O-CB 3.5Å; D307-N313 PolarHBondContact O-ND2 3.03Å; N310-N313 WeakPolarHBondContact O-CB 3.47Å; N310-N313 PolarHBondContact O-N 3.44Å; E311-N313 PolarHBondContact O-N 2.84Å; N313-K315 VanDerWaalsContact C-N 3.32Å; N313-K315 PolarHBondContact O-N 2.84Å; N313-F316 CarbonylContact O-C 3.58Å; N313-F316 WeakPolarHBondContact O-CA 3.42Å; N313-F316 WeakPolarHBondContact O-CB 3.4Å; N313-F316 PolarHBondContact O-N 3.13Å; N313-S317 PolarHBondContact O-N 2.92Å; N313-S317 PolarHBondContact O-OG 3.18Å
314	L	86	Confident	87.2	Confident	68 Å²	68	49 Å²	49	36%	0.356	25%	0.248	S	C	.	.	H	α-helix	trans	-56.3	-45.4	-175.4	-179.8	61.4	0	0	0	112.3	E311 F316 S317 Q318 V324	E311-L314 VanDerWaalsContact O-CB 3.23Å; E311-L314 WeakPolarHBondContact O-CB 3.24Å; E311-L314 PolarHBondContact O-N 3.07Å; L314-F316 VanDerWaalsContact C-N 3.33Å; L314-F316 PolarHBondContact O-N 3.45Å; L314-S317 PolarHBondContact O-N 2.95Å; L314-Q318 WeakPolarHBondContact O-CB 3.37Å; L314-Q318 VanDerWaalsContact O-CG 3.31Å; L314-Q318 WeakPolarHBondContact O-CG 3.31Å; L314-Q318 PolarHBondContact O-N 2.96Å; L314-V324 HydrophobicContact CD1-CG2 3.41Å; L314-V324 VanDerWaalsContact CD1-CG2 3.41Å
315	K	84.6	Confident	85.9	Confident	145 Å²	145	51.1 Å²	51.1	63%	0.63	28%	0.275	S	S	*	.	H	α-helix	trans	-64.3	-39.3	177.9	-174.1	174.9	-178	176.8	0	111.6	N313 Q318 Q319	N313-K315 VanDerWaalsContact C-N 3.32Å; N313-K315 PolarHBondContact O-N 2.84Å; K315-Q318 PolarHBondContact O-N 3.36Å; K315-Q319 VanDerWaalsContact O-CG 3.27Å; K315-Q319 WeakPolarHBondContact O-CG 3.03Å; K315-Q319 PolarHBondContact O-N 3.02Å
316	F	87.3	Confident	84.2	Confident	22 Å²	22	60.6 Å²	60.6	10%	0.096	31%	0.312	C	S	.	.	H	α-helix	trans	-66.3	-44.2	176.6	-179.5	-96.7	0	0	0	111.3	F255 Y273 F275 V306 N313 L314 Q318 Q319 H320	F255-F316 HydrophobicContact CD1-CD1 4.02Å; F255-F316 HydrophobicContact CD1-CE1 4.28Å; F255-F316 HydrophobicContact CD1-CG 4.32Å; F255-F316 HydrophobicContact CD2-CD1 4.5Å; F255-F316 HydrophobicContact CD2-CE1 4.04Å; F255-F316 HydrophobicContact CD2-CE2 4.16Å; F255-F316 AromaticContact CD2-CZ 3.85Å; F255-F316 HydrophobicContact CD2-CZ 3.85Å; F255-F316 HydrophobicContact CE1-CB 3.86Å; F255-F316 AromaticContact CE1-CD1 3.69Å; F255-F316 HydrophobicContact CE1-CD1 3.69Å; F255-F316 AromaticContact CE1-CD2 3.88Å; F255-F316 HydrophobicContact CE1-CD2 3.88Å; F255-F316 HydrophobicContact CE1-CE1 4.19Å; F255-F316 HydrophobicContact CE1-CE2 4.32Å; F255-F316 AromaticContact CE1-CG 3.52Å; F255-F316 HydrophobicContact CE1-CG 3.52Å; F255-F316 HydrophobicContact CE1-CZ 4.47Å; F255-F316 HydrophobicContact CE2-CD1 4.19Å; F255-F316 AromaticContact CE2-CD2 3.67Å; F255-F316 HydrophobicContact CE2-CD2 3.67Å; F255-F316 AromaticContact CE2-CE1 3.93Å; F255-F316 HydrophobicContact CE2-CE1 3.93Å; F255-F316 AromaticContact CE2-CE2 3.32Å; F255-F316 HydrophobicContact CE2-CE2 3.32Å; F255-F316 HydrophobicContact CE2-CG 4.07Å; F255-F316 AromaticContact CE2-CZ 3.49Å; F255-F316 HydrophobicContact CE2-CZ 3.49Å; F255-F316 VanDerWaalsContact CE2-CZ 3.49Å; F255-F316 HydrophobicContact CG-CD1 4.42Å; F255-F316 HydrophobicContact CG-CE1 4.21Å; F255-F316 HydrophobicContact CG-CZ 4.48Å; F255-F316 HydrophobicContact CZ-CB 4.02Å; F255-F316 AromaticContact CZ-CD1 3.79Å; F255-F316 HydrophobicContact CZ-CD1 3.79Å; F255-F316 AromaticContact CZ-CD2 3.2Å; F255-F316 HydrophobicContact CZ-CD2 3.2Å; F255-F316 HydrophobicContact CZ-CE1 4.02Å; F255-F316 AromaticContact CZ-CE2 3.42Å; F255-F316 HydrophobicContact CZ-CE2 3.42Å; F255-F316 VanDerWaalsContact CZ-CE2 3.42Å; F255-F316 AromaticContact CZ-CG 3.38Å; F255-F316 HydrophobicContact CZ-CG 3.38Å; F255-F316 AromaticContact CZ-CZ 3.85Å; F255-F316 HydrophobicContact CZ-CZ 3.85Å; Y273-F316 AromaticContact CD1-CE1 3.8Å; Y273-F316 HydrophobicContact CD1-CE1 3.8Å; Y273-F316 AromaticContact CD1-CZ 3.69Å; Y273-F316 HydrophobicContact CD1-CZ 3.69Å; Y273-F316 HydrophobicContact CD2-CZ 4.45Å; Y273-F316 HydrophobicContact CE1-CE1 4.11Å; Y273-F316 AromaticContact CE1-CZ 3.52Å; Y273-F316 HydrophobicContact CE1-CZ 3.52Å; Y273-F316 HydrophobicContact CE2-CZ 4.3Å; Y273-F316 HydrophobicContact CG-CE1 4.18Å; Y273-F316 HydrophobicContact CG-CZ 4.18Å; Y273-F316 AromaticContact CZ-CZ 3.84Å; F275-F316 AromaticContact CE1-CD1 3.89Å; F275-F316 HydrophobicContact CE1-CD1 3.89Å; F275-F316 HydrophobicContact CE1-CE1 4.02Å; F275-F316 HydrophobicContact CZ-CD1 4.06Å; F275-F316 AromaticContact CZ-CE1 3.77Å; F275-F316 HydrophobicContact CZ-CE1 3.77Å; V306-F316 HydrophobicContact CG1-CD1 4.25Å; V306-F316 HydrophobicContact CG2-CD1 4.23Å; V306-F316 HydrophobicContact CG2-CE1 3.85Å; N313-F316 CarbonylContact O-C 3.58Å; N313-F316 WeakPolarHBondContact O-CA 3.42Å; N313-F316 WeakPolarHBondContact O-CB 3.4Å; N313-F316 PolarHBondContact O-N 3.13Å; L314-F316 VanDerWaalsContact C-N 3.33Å; L314-F316 PolarHBondContact O-N 3.45Å; F316-Q318 PolarHBondContact O-N 2.78Å; F316-Q319 WeakPolarHBondContact O-CB 3.42Å; F316-Q319 PolarHBondContact O-N 2.85Å; F316-H320 AromaticContact CD1-ND1 3.96Å; F316-H320 AromaticContact CD2-CE1 3.7Å; F316-H320 AromaticContact CE1-CE1 3.69Å; F316-H320 AromaticContact CE1-ND1 3.74Å; F316-H320 AromaticContact CE2-CE1 3.15Å; F316-H320 WeakPolarHBondContact CE2-CE1 3.15Å; F316-H320 AromaticContact CE2-ND1 3.83Å; F316-H320 AromaticContact CE2-NE2 3.99Å; F316-H320 AromaticContact CZ-CE1 3.13Å; F316-H320 WeakPolarHBondContact CZ-CE1 3.38Å; F316-H320 AromaticContact CZ-ND1 3.67Å; F316-H320 AromaticContact CZ-NE2 3.66Å; F316-H320 PolarHBondContact O-N 3.46Å; F316-H320 PolarHBondContact O-ND1 2.89Å
317	S	88.8	Confident	82.6	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-57.1	-48.6	173.2	-62.4	0	0	0	0	111.7	F275 N313 L314 Q319 H320 G321 V322	F275-S317 WeakPolarHBondContact CD1-OG 3.33Å; F275-S317 WeakPolarHBondContact CE1-OG 3.46Å; N313-S317 PolarHBondContact O-N 2.92Å; N313-S317 PolarHBondContact O-OG 3.18Å; L314-S317 PolarHBondContact O-N 2.95Å; S317-Q319 VanDerWaalsContact C-N 3.33Å; S317-Q319 PolarHBondContact O-N 2.98Å; S317-H320 CarbonylContact O-C 3.58Å; S317-H320 WeakPolarHBondContact O-CA 3.46Å; S317-H320 PolarHBondContact O-N 2.95Å; S317-G321 PolarHBondContact O-N 2.83Å; S317-V322 CarbonylContact C-O 3.52Å; S317-V322 WeakPolarHBondContact O-CB 3.38Å; S317-V322 PolarHBondContact O-N 2.81Å
318	Q	83.8	Confident	81.3	Confident	90 Å²	90	63.7 Å²	63.7	42%	0.421	33%	0.331	S	S	.	.	H	α-helix	trans	-57.5	-44.7	175.7	-74.5	172.8	-12.4	0	0	111.7	L314 K315 F316 H320 G321 M390	L314-Q318 WeakPolarHBondContact O-CB 3.37Å; L314-Q318 VanDerWaalsContact O-CG 3.31Å; L314-Q318 WeakPolarHBondContact O-CG 3.31Å; L314-Q318 PolarHBondContact O-N 2.96Å; K315-Q318 PolarHBondContact O-N 3.36Å; F316-Q318 PolarHBondContact O-N 2.78Å; Q318-H320 PolarHBondContact O-N 3.27Å; Q318-H320 VanDerWaalsContact O-N 3.09Å; Q318-G321 WeakPolarHBondContact O-CA 3.38Å; Q318-G321 PolarHBondContact O-N 3.35Å; Q318-M390 WeakPolarHBondContact O-CE 3.47Å
319	Q	83.6	Confident	80.3	Confident	101 Å²	101	62.8 Å²	62.8	47%	0.472	33%	0.326	S	S	.	.	H	α-helix	trans	-62.8	-13.9	175.1	-74	175.7	-24.5	0	0	114.4	K315 F316 S317 R344	K315-Q319 VanDerWaalsContact O-CG 3.27Å; K315-Q319 WeakPolarHBondContact O-CG 3.03Å; K315-Q319 PolarHBondContact O-N 3.02Å; F316-Q319 WeakPolarHBondContact O-CB 3.42Å; F316-Q319 PolarHBondContact O-N 2.85Å; S317-Q319 VanDerWaalsContact C-N 3.33Å; S317-Q319 PolarHBondContact O-N 2.98Å; Q319-R344 PolarHBondContact O-NE 3Å; Q319-R344 PolarHBondContact O-NH2 3.12Å
320	H	87.6	Confident	79.8	Confident	18 Å²	18	64.9 Å²	64.9	8%	0.083	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	8.4	173.5	-68.6	74.4	0	0	0	112.5	Y273 F275 F316 S317 Q318 V322 V334 R346	Y273-H320 AromaticContact CE2-NE2 3.93Å; F275-H320 HydrophobicContact CE2-CB 4.09Å; F275-H320 HydrophobicContact CZ-CB 3.67Å; F275-H320 AromaticContact CZ-CG 3.85Å; F316-H320 AromaticContact CD1-ND1 3.96Å; F316-H320 AromaticContact CD2-CE1 3.7Å; F316-H320 AromaticContact CE1-CE1 3.69Å; F316-H320 AromaticContact CE1-ND1 3.74Å; F316-H320 AromaticContact CE2-CE1 3.15Å; F316-H320 WeakPolarHBondContact CE2-CE1 3.15Å; F316-H320 AromaticContact CE2-ND1 3.83Å; F316-H320 AromaticContact CE2-NE2 3.99Å; F316-H320 AromaticContact CZ-CE1 3.13Å; F316-H320 WeakPolarHBondContact CZ-CE1 3.38Å; F316-H320 AromaticContact CZ-ND1 3.67Å; F316-H320 AromaticContact CZ-NE2 3.66Å; F316-H320 PolarHBondContact O-N 3.46Å; F316-H320 PolarHBondContact O-ND1 2.89Å; S317-H320 CarbonylContact O-C 3.58Å; S317-H320 WeakPolarHBondContact O-CA 3.46Å; S317-H320 PolarHBondContact O-N 2.95Å; Q318-H320 PolarHBondContact O-N 3.27Å; Q318-H320 VanDerWaalsContact O-N 3.09Å; H320-V322 HydrophobicContact CB-CG2 4.19Å; H320-V322 PolarHBondContact O-N 3.09Å; H320-V334 HydrophobicContact CB-CG1 4.37Å; H320-R346 PolarHBondContact O-NH2 3.02Å
321	G	82.6	Confident	79.6	Confident	3 Å²	3	62.4 Å²	62.4	3%	0.031	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	21	-175.4	0	0	0	0	0	113.8	S317 Q318 R346	S317-G321 PolarHBondContact O-N 2.83Å; Q318-G321 WeakPolarHBondContact O-CA 3.38Å; Q318-G321 PolarHBondContact O-N 3.35Å; G321-R346 PolarHBondContact O-NH2 2.97Å
322	V	85.7	Confident	79.7	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.006	27%	0.272	C	S	.	.			trans	-87.8	120	-179.9	170.7	0	0	0	0	108.3	F275 S317 H320 V324 Q332 V334	F275-V322 HydrophobicContact CB-CG1 3.84Å; F275-V322 HydrophobicContact CB-CG2 4.47Å; F275-V322 HydrophobicContact CD1-CB 4.15Å; F275-V322 HydrophobicContact CD1-CG1 3.78Å; F275-V322 HydrophobicContact CD1-CG2 4.09Å; F275-V322 HydrophobicContact CD2-CB 4.46Å; F275-V322 HydrophobicContact CD2-CG1 4.41Å; F275-V322 HydrophobicContact CD2-CG2 3.56Å; F275-V322 HydrophobicContact CE1-CB 4.32Å; F275-V322 HydrophobicContact CE1-CG1 4.42Å; F275-V322 HydrophobicContact CE1-CG2 4.15Å; F275-V322 HydrophobicContact CE2-CG2 3.62Å; F275-V322 HydrophobicContact CG-CB 4.21Å; F275-V322 HydrophobicContact CG-CG1 3.76Å; F275-V322 HydrophobicContact CG-CG2 3.78Å; F275-V322 HydrophobicContact CZ-CG2 3.93Å; S317-V322 CarbonylContact C-O 3.52Å; S317-V322 WeakPolarHBondContact O-CB 3.38Å; S317-V322 PolarHBondContact O-N 2.81Å; H320-V322 HydrophobicContact CB-CG2 4.19Å; H320-V322 PolarHBondContact O-N 3.09Å; V322-V324 HydrophobicContact CG1-CG1 4.5Å; V322-Q332 HydrophobicContact CG2-CB 4.44Å; V322-V334 HydrophobicContact CG2-CG2 3.83Å
323	H	75.4	Confident	80	Confident	46 Å²	46	49.7 Å²	49.7	21%	0.213	25%	0.246	C	C	.	.			trans	-94	141.2	175.3	-63.4	-60.9	0	0	0	109.7	Y328 Q332 S391	H323-Y328 HydrophobicContact CB-CD1 3.4Å; H323-Y328 VanDerWaalsContact CB-CD1 3.4Å; H323-Y328 HydrophobicContact CB-CD2 4.48Å; H323-Y328 HydrophobicContact CB-CE1 3.29Å; H323-Y328 HydrophobicContact CB-CE2 4.4Å; H323-Y328 HydrophobicContact CB-CG 4.05Å; H323-Y328 AromaticContact CG-CE1 3.99Å; H323-Q332 PolarHBondContact O-NE2 3.48Å; H323-S391 PolarHBondContact CE1-O 3.49Å; H323-S391 PolarHBondContact NE2-O 2.87Å
324	V	71.8	Confident	80.2	Confident	53 Å²	53	49.4 Å²	49.4	32%	0.321	24%	0.244	S	C	.	.			trans	-121.7	143.7	-178.1	-57.9	0	0	0	0	109.6	T308 L314 V322 Y328	T308-V324 HydrophobicContact CG2-CG1 3.88Å; L314-V324 HydrophobicContact CD1-CG2 3.41Å; L314-V324 VanDerWaalsContact CD1-CG2 3.41Å; V322-V324 HydrophobicContact CG1-CG1 4.5Å; V324-Y328 WeakPolarHBondContact O-CE2 3.34Å
325	G	66.9	Low	80.6	Confident	59 Å²	59	46.1 Å²	46.1	61%	0.608	23%	0.227	S	C	*	.	S	Bend	trans	132.3	-165.9	179.3	0	0	0	0	0	114.5	Y328	G325-Y328 WeakPolarHBondContact O-CD2 3.36Å
326	Y	59.1	Low	80.9	Confident	215 Å²	215	39.9 Å²	39.9	84%	0.843	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	125.9	-178.9	-164.4	-100.8	0	0	0	111.3	N360	Y326-N360 WeakPolarHBondContact CD1-ND2 3.06Å; Y326-N360 WeakPolarHBondContact CD2-ND2 3.48Å; Y326-N360 WeakPolarHBondContact CE1-ND2 2.91Å; Y326-N360 VanDerWaalsContact CE2-ND2 3.31Å; Y326-N360 WeakPolarHBondContact CE2-ND2 3.42Å; Y326-N360 VanDerWaalsContact CG-ND2 3.35Å
327	G	61.1	Low	80.7	Confident	28 Å²	28	40.6 Å²	40.6	29%	0.289	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	-0.9	175.4	0	0	0	0	0	115	N360	G327-N360 WeakPolarHBondContact CA-ND2 3.4Å; G327-N360 WeakPolarHBondContact CA-OD1 3.49Å; G327-N360 PolarHBondContact N-ND2 2.96Å; G327-N360 PolarHBondContact N-OD1 3.38Å
328	Y	67.2	Low	79.8	Confident	57 Å²	57	44.3 Å²	44.3	22%	0.224	23%	0.225	C	C	.	.	S	Bend	trans	-91.2	157.2	174.3	-57.6	-77.7	0	0	0	111.7	H323 V324 G325 R330 F354 I393	H323-Y328 HydrophobicContact CB-CD1 3.4Å; H323-Y328 VanDerWaalsContact CB-CD1 3.4Å; H323-Y328 HydrophobicContact CB-CD2 4.48Å; H323-Y328 HydrophobicContact CB-CE1 3.29Å; H323-Y328 HydrophobicContact CB-CE2 4.4Å; H323-Y328 HydrophobicContact CB-CG 4.05Å; H323-Y328 AromaticContact CG-CE1 3.99Å; V324-Y328 WeakPolarHBondContact O-CE2 3.34Å; G325-Y328 WeakPolarHBondContact O-CD2 3.36Å; Y328-R330 PolarHBondContact O-N 3.38Å; Y328-F354 AromaticContact CD1-CD1 3.84Å; Y328-F354 HydrophobicContact CD1-CD1 3.84Å; Y328-F354 AromaticContact CD1-CE1 3.94Å; Y328-F354 HydrophobicContact CD1-CE1 3.94Å; Y328-I393 HydrophobicContact CE1-CD1 4.16Å; Y328-I393 HydrophobicContact CE1-CG1 4.26Å; Y328-I393 WeakPolarHBondContact OH-CD1 3.47Å
329	P	70.5	Confident	78.7	Confident	8 Å²	8	48.4 Å²	48.4	5%	0.052	24%	0.241	C	C	.	.			trans	-51.6	126.8	167.9	-21.7	32.3	0	0	0	112.4	F331 Q332 F352 F354 F359	P329-F331 WeakPolarHBondContact CB-O 3.37Å; P329-F331 PolarHBondContact O-N 3.22Å; P329-Q332 HydrophobicContact CB-CG 3.94Å; P329-Q332 HydrophobicContact CG-CG 4.38Å; P329-Q332 PolarHBondContact O-NE2 3.21Å; P329-F352 WeakPolarHBondContact CG-O 3.3Å; P329-F354 HydrophobicContact CG-CD1 3.87Å; P329-F354 HydrophobicContact CG-CD2 4.49Å; P329-F354 HydrophobicContact CG-CE1 3.67Å; P329-F354 HydrophobicContact CG-CE2 4.24Å; P329-F354 HydrophobicContact CG-CG 4.29Å; P329-F354 HydrophobicContact CG-CZ 3.83Å; P329-F359 HydrophobicContact CB-CE1 3.91Å; P329-F359 HydrophobicContact CB-CZ 3.84Å; P329-F359 HydrophobicContact CG-CE1 3.97Å; P329-F359 HydrophobicContact CG-CE2 4.28Å; P329-F359 HydrophobicContact CG-CZ 3.69Å
330	R	77.3	Confident	77.6	Confident	102 Å²	102	47.3 Å²	47.3	39%	0.385	26%	0.257	S	S	.	.	S	Bend	trans	-59.2	-27.7	174.6	-67.6	-133.3	-78	-164.9	-12.3	112.5	D280 E282 Y328	D280-R330 IonicContact OD1-CZ 2.71Å; D280-R330 IonicContact OD1-NH1 3.87Å; D280-R330 PolarHBondContact OD1-NH1 3.11Å; D280-R330 WeakPolarHBondContact OD2-CD 3.04Å; D280-R330 IonicContact OD2-CZ 3.97Å; D280-R330 IonicContact OD2-NE 2.87Å; D280-R330 IonicContact OD2-NH1 3.77Å; D280-R330 PolarHBondContact OD2-NH1 2.93Å; E282-R330 IonicContact OE1-NH2 2.69Å; E282-R330 PolarHBondContact OE1-NH2 2.79Å; E282-R330 VanDerWaalsContact OE1-NH2 3.14Å; E282-R330 IonicContact OE2-CZ 3.63Å; E282-R330 IonicContact OE2-NE 3.58Å; E282-R330 PolarHBondContact OE2-NE 2.99Å; E282-R330 VanDerWaalsContact OE2-NE 3.08Å; E282-R330 IonicContact OE2-NH2 2.82Å; E282-R330 PolarHBondContact OE2-NH2 3.19Å; Y328-R330 PolarHBondContact O-N 3.38Å
331	F	86.7	Confident	76.7	Confident	7 Å²	7	48.5 Å²	48.5	3%	0.031	27%	0.268	C	S	.	.			trans	-127.8	126.6	177.2	-47.1	-69.2	0	0	0	109.4	L274 F275 L276 E282 A286 P329 N366 M367 I368	L274-F331 HydrophobicContact CD1-CB 4.3Å; F275-F331 WeakPolarHBondContact O-CA 3.09Å; L276-F331 HydrophobicContact CB-CD1 3.83Å; L276-F331 HydrophobicContact CB-CE1 4.2Å; L276-F331 HydrophobicContact CD1-CD1 4.36Å; L276-F331 HydrophobicContact CD1-CE1 4.33Å; E282-F331 HydrophobicContact CB-CZ 3.9Å; E282-F331 WeakPolarHBondContact OE2-CE2 3.47Å; E282-F331 WeakPolarHBondContact OE2-CZ 3.28Å; A286-F331 HydrophobicContact CB-CD1 3.85Å; A286-F331 HydrophobicContact CB-CE1 3.33Å; A286-F331 HydrophobicContact CB-CZ 3.82Å; P329-F331 WeakPolarHBondContact CB-O 3.37Å; P329-F331 PolarHBondContact O-N 3.22Å; F331-N366 WeakPolarHBondContact CD2-O 3.5Å; F331-M367 HydrophobicContact CE2-CE 4.33Å; F331-M367 HydrophobicContact CE2-SD 4.2Å; F331-M367 HydrophobicContact CZ-CE 4.17Å; F331-M367 HydrophobicContact CZ-SD 4.23Å; F331-I368 HydrophobicContact CB-CB 4.32Å; F331-I368 HydrophobicContact CB-CG2 4.38Å; F331-I368 HydrophobicContact CD2-CB 4.48Å; F331-I368 HydrophobicContact CD2-CG2 4.49Å; F331-I368 HydrophobicContact CG-CB 4.42Å; F331-I368 HydrophobicContact CG-CG2 4.19Å
332	Q	90.1	Very high	76.2	Confident	12 Å²	12	58 Å²	58	6%	0.056	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119.2	171.9	-63.2	171	53.3	0	0	108.4	F275 V322 H323 P329 F354	F275-Q332 HydrophobicContact CB-CB 4.26Å; F275-Q332 WeakPolarHBondContact CD2-O 3.43Å; F275-Q332 PolarHBondContact N-O 2.74Å; F275-Q332 PolarHBondContact O-N 3.46Å; V322-Q332 HydrophobicContact CG2-CB 4.44Å; H323-Q332 PolarHBondContact O-NE2 3.48Å; P329-Q332 HydrophobicContact CB-CG 3.94Å; P329-Q332 HydrophobicContact CG-CG 4.38Å; P329-Q332 PolarHBondContact O-NE2 3.21Å; Q332-F354 HydrophobicContact CG-CZ 4.01Å; Q332-F354 VanDerWaalsContact OE1-CZ 3.25Å
333	L	94.1	Very high	76.1	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.8	178.3	-170.9	68.8	0	0	0	109.4	V272 L274 Y290 R346 L347 I368 I373 F376 F377	V272-L333 HydrophobicContact CG1-CD1 3.4Å; V272-L333 HydrophobicContact CG1-CD2 4.45Å; V272-L333 HydrophobicContact CG1-CG 3.89Å; L274-L333 HydrophobicContact CB-CD1 3.95Å; L274-L333 HydrophobicContact CD1-CB 4.48Å; L274-L333 HydrophobicContact CD1-CD1 4.14Å; Y290-L333 HydrophobicContact CD2-CD1 4.18Å; Y290-L333 HydrophobicContact CE2-CD1 3.56Å; L333-R346 WeakPolarHBondContact O-CA 3.09Å; L333-L347 HydrophobicContact CB-CB 3.9Å; L333-L347 HydrophobicContact CB-CD2 4.34Å; L333-L347 HydrophobicContact CD2-CB 4.41Å; L333-L347 HydrophobicContact CD2-CD2 4.3Å; L333-L347 PolarHBondContact O-N 3.31Å; L333-I368 HydrophobicContact CB-CD1 4.26Å; L333-I368 HydrophobicContact CD2-CD1 4.38Å; L333-I373 HydrophobicContact CD2-CG1 4.3Å; L333-I373 HydrophobicContact CD2-CG2 3.99Å; L333-F376 HydrophobicContact CD2-CD1 3.56Å; L333-F376 HydrophobicContact CD2-CE1 3.86Å; L333-F376 HydrophobicContact CD2-CG 4.44Å; L333-F376 HydrophobicContact CG-CD1 4.31Å; L333-F376 HydrophobicContact CG-CE1 4.1Å; L333-F377 HydrophobicContact CD2-CE1 4.2Å
334	V	93.9	Very high	76.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.6	-179.1	-175.5	0	0	0	0	109.7	Y273 F275 H320 V322 R344 Y345 R346	Y273-V334 PolarHBondContact N-O 3.02Å; Y273-V334 PolarHBondContact O-N 3.01Å; F275-V334 HydrophobicContact CD2-CG2 4.32Å; F275-V334 HydrophobicContact CE2-CB 4.06Å; F275-V334 HydrophobicContact CE2-CG2 4.13Å; H320-V334 HydrophobicContact CB-CG1 4.37Å; V322-V334 HydrophobicContact CG2-CG2 3.83Å; V334-R344 HydrophobicContact CG1-CB 4.17Å; V334-Y345 CarbonylContact C-O 3.58Å; V334-Y345 VanDerWaalsContact CA-O 3.31Å; V334-Y345 WeakPolarHBondContact CA-O 3.37Å; V334-R346 HydrophobicContact CG2-CG 4.43Å
335	A	94.4	Very high	77.7	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	141.4	173	0	0	0	0	0	110.3	D271 V272 R344 Y345 F376 L380	D271-A335 CarbonylContact O-C 3.54Å; D271-A335 WeakPolarHBondContact O-CA 3.38Å; V272-A335 HydrophobicContact CG2-CB 3.74Å; A335-R344 CarbonylContact O-C 3.57Å; A335-R344 VanDerWaalsContact O-CA 3.26Å; A335-R344 WeakPolarHBondContact O-CA 3.46Å; A335-Y345 PolarHBondContact N-O 2.72Å; A335-Y345 PolarHBondContact O-N 3.08Å; A335-F376 HydrophobicContact CB-CE1 4.11Å; A335-F376 HydrophobicContact CB-CZ 4.04Å; A335-L380 HydrophobicContact CB-CD1 4.04Å; A335-L380 HydrophobicContact CB-CD2 3.59Å; A335-L380 HydrophobicContact CB-CG 4.49Å
336	T	90.4	Very high	78.9	Confident	14 Å²	14	58.2 Å²	58.2	9%	0.086	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	148.9	169.6	63.2	0	0	0	0	109.6	H270 D271 Y273 R344	H270-T336 WeakPolarHBondContact CA-O 3.42Å; H270-T336 PolarHBondContact ND1-O 3.15Å; D271-T336 PolarHBondContact N-O 3.31Å; D271-T336 PolarHBondContact O-N 2.89Å; Y273-T336 HydrophobicContact CE2-CG2 4.25Å; T336-R344 HydrophobicContact CG2-CG 4.28Å
337	S	83.1	Confident	80.4	Confident	37 Å²	37	48.7 Å²	48.7	26%	0.259	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	179.1	164.5	-171.8	0	0	0	0	110.4	I343	S337-I343 PolarHBondContact N-O 3.36Å
338	K	70.7	Confident	81.5	Confident	78 Å²	78	52.3 Å²	52.3	34%	0.339	25%	0.254	S	S	.	.	S	Bend	trans	-48.2	157.1	179.8	-70.7	-163.2	176.5	-149	0	113.1	D264 S265 A266 I268 G340 S341	D264-K338 IonicContact OD1-NZ 3.57Å; S265-K338 PolarHBondContact O-NZ 3.16Å; A266-K338 PolarHBondContact O-NZ 2.98Å; I268-K338 WeakPolarHBondContact O-CE 3.49Å; K338-G340 PolarHBondContact O-N 3.05Å; K338-S341 VanDerWaalsContact O-CB 3.3Å; K338-S341 WeakPolarHBondContact O-CB 3.4Å; K338-S341 PolarHBondContact O-N 3.33Å
339	K	61	Low	82.1	Confident	175 Å²	175	50.4 Å²	50.4	76%	0.761	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.4	124.8	-176.8	-168.6	175.1	-178.2	176.2	0	112.4
340	G	60.4	Low	82.1	Confident	78 Å²	78	55.5 Å²	55.5	80%	0.804	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.4	-11.7	179.6	0	0	0	0	0	115.1	K338	K338-G340 PolarHBondContact O-N 3.05Å
341	S	68.5	Low	81.8	Confident	44 Å²	44	53.4 Å²	53.4	31%	0.308	28%	0.278	S	S	.	.			trans	-71.3	131.1	172.1	-169.5	0	0	0	0	111.4	K338 I343	K338-S341 VanDerWaalsContact O-CB 3.3Å; K338-S341 WeakPolarHBondContact O-CB 3.4Å; K338-S341 PolarHBondContact O-N 3.33Å; S341-I343 VanDerWaalsContact C-N 3.25Å; S341-I343 WeakPolarHBondContact OG-CB 3.31Å; S341-I343 PolarHBondContact OG-N 2.04Å
342	R	72.2	Confident	81.2	Confident	201 Å²	201	53.9 Å²	53.9	76%	0.758	28%	0.28	S	S	*	.			trans	-83.3	-3.2	168.4	-63.4	-174	-177.5	-176.6	0.3	112.7	R344	R342-R344 PolarHBondContact O-N 3.3Å; R342-R344 PolarHBondContact O-NH1 3.1Å
343	I	83	Confident	80	Confident	75 Å²	75	57.9 Å²	57.9	39%	0.385	30%	0.299	S	S	.	.			trans	-78.1	121.1	-178.6	-56.8	175.8	0	0	0	108.5	S337 S341 Y345 P387	S337-I343 PolarHBondContact N-O 3.36Å; S341-I343 VanDerWaalsContact C-N 3.25Å; S341-I343 WeakPolarHBondContact OG-CB 3.31Å; S341-I343 PolarHBondContact OG-N 2.04Å; I343-Y345 HydrophobicContact CG2-CE1 4.31Å; I343-Y345 HydrophobicContact CG2-CE2 3.75Å; I343-P387 HydrophobicContact CG2-CB 4.18Å; I343-P387 HydrophobicContact CG2-CG 4.2Å
344	R	89.4	Confident	78.5	Confident	33 Å²	33	61 Å²	61	13%	0.125	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	154.3	175.9	-54.5	-178.2	-168.6	81.9	-6.2	109.1	Q319 V334 A335 T336 R342 P387 F388 M390 D492	Q319-R344 PolarHBondContact O-NE 3Å; Q319-R344 PolarHBondContact O-NH2 3.12Å; V334-R344 HydrophobicContact CG1-CB 4.17Å; A335-R344 CarbonylContact O-C 3.57Å; A335-R344 VanDerWaalsContact O-CA 3.26Å; A335-R344 WeakPolarHBondContact O-CA 3.46Å; T336-R344 HydrophobicContact CG2-CG 4.28Å; R342-R344 PolarHBondContact O-N 3.3Å; R342-R344 PolarHBondContact O-NH1 3.1Å; R344-P387 CarbonylContact O-C 3.51Å; R344-P387 WeakPolarHBondContact O-CA 3.35Å; R344-F388 HydrophobicContact CB-CB 4.4Å; R344-F388 HydrophobicContact CB-CD1 4.2Å; R344-F388 PolarHBondContact O-N 3.12Å; R344-M390 PolarHBondContact NH1-SD 2.93Å; R344-M390 VanDerWaalsContact NH1-SD 3.41Å; R344-M390 PolarHBondContact NH2-SD 3.17Å; R344-D492 IonicContact NH1-OD1 2.84Å; R344-D492 IonicContact NH1-OD2 2.99Å; R344-D492 PolarHBondContact NH1-OD2 3.12Å
345	Y	92.3	Very high	76.4	Confident	34 Å²	34	64.8 Å²	64.8	13%	0.133	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147	169.6	-54.6	-87.7	0	0	0	107.8	V334 A335 I343 L380 L385	V334-Y345 CarbonylContact C-O 3.58Å; V334-Y345 VanDerWaalsContact CA-O 3.31Å; V334-Y345 WeakPolarHBondContact CA-O 3.37Å; A335-Y345 PolarHBondContact N-O 2.72Å; A335-Y345 PolarHBondContact O-N 3.08Å; I343-Y345 HydrophobicContact CG2-CE1 4.31Å; I343-Y345 HydrophobicContact CG2-CE2 3.75Å; Y345-L380 HydrophobicContact CD1-CD1 4.35Å; Y345-L380 HydrophobicContact CD2-CD1 3.3Å; Y345-L380 HydrophobicContact CE2-CD1 3.83Å; Y345-L380 HydrophobicContact CG-CD1 3.59Å; Y345-L385 HydrophobicContact CD1-CB 3.56Å; Y345-L385 HydrophobicContact CD1-CD1 4.43Å; Y345-L385 HydrophobicContact CE1-CB 4.11Å; Y345-L385 WeakPolarHBondContact CE1-O 3.41Å; Y345-L385 HydrophobicContact CG-CB 4.36Å; Y345-L385 HydrophobicContact CG-CD1 4.46Å
346	R	91	Very high	74.1	Confident	22 Å²	22	73.5 Å²	73.5	8%	0.083	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.1	-177.8	-179.6	176.3	-66.4	-178.6	-4.4	109.8	H320 G321 L333 V334 K348 F354 F376 F388	H320-R346 PolarHBondContact O-NH2 3.02Å; G321-R346 PolarHBondContact O-NH2 2.97Å; L333-R346 WeakPolarHBondContact O-CA 3.09Å; V334-R346 HydrophobicContact CG2-CG 4.43Å; R346-K348 PolarHBondContact O-N 3.43Å; R346-F354 VanDerWaalsContact NH1-CE2 3.32Å; R346-F376 VanDerWaalsContact C-CE2 3.42Å; R346-F388 HydrophobicContact CB-CB 4.08Å; R346-F388 HydrophobicContact CB-CD2 4.17Å; R346-F388 HydrophobicContact CB-CG 4.04Å; R346-F388 VanDerWaalsContact CZ-CE1 3.46Å
347	L	91.1	Very high	71.9	Confident	16 Å²	16	81.9 Å²	81.9	8%	0.084	42%	0.42	C	S	.	.			trans	-62.6	118.9	168.3	178.3	57.6	0	0	0	109	L333 F352 I368 F376	L333-L347 HydrophobicContact CB-CB 3.9Å; L333-L347 HydrophobicContact CB-CD2 4.34Å; L333-L347 HydrophobicContact CD2-CB 4.41Å; L333-L347 HydrophobicContact CD2-CD2 4.3Å; L333-L347 PolarHBondContact O-N 3.31Å; L347-F352 HydrophobicContact CD1-CD2 4.38Å; L347-F352 HydrophobicContact CD1-CE2 4.37Å; L347-F352 HydrophobicContact CD2-CD1 4.43Å; L347-F352 HydrophobicContact CD2-CD2 3.93Å; L347-F352 HydrophobicContact CD2-CE1 4.21Å; L347-F352 HydrophobicContact CD2-CE2 3.67Å; L347-F352 HydrophobicContact CD2-CG 4.31Å; L347-F352 HydrophobicContact CD2-CZ 3.83Å; L347-F352 HydrophobicContact CG-CD2 3.73Å; L347-F352 HydrophobicContact CG-CE2 3.91Å; L347-F352 HydrophobicContact CG-CG 4.2Å; L347-I368 HydrophobicContact CD2-CD1 3.87Å; L347-I368 HydrophobicContact CD2-CG1 4.11Å; L347-F376 HydrophobicContact CB-CD2 4.24Å; L347-F376 HydrophobicContact CB-CE2 4.43Å; L347-F376 HydrophobicContact CB-CG 4.39Å; L347-F376 HydrophobicContact CD1-CB 4.02Å; L347-F376 HydrophobicContact CD1-CD2 4.29Å; L347-F376 HydrophobicContact CD1-CG 4.29Å
348	K	84.8	Confident	70.2	Confident	104 Å²	104	82.4 Å²	82.4	45%	0.452	43%	0.432	S	S	.	.			trans	-111.8	154.5	178.5	-65.6	179.8	-174.7	175.2	0	109.9	R346 E353	R346-K348 PolarHBondContact O-N 3.43Å; K348-E353 HydrophobicContact CB-CG 4.48Å
349	G	78.6	Confident	69.1	Low	17 Å²	17	79.9 Å²	79.9	18%	0.175	42%	0.421	C	S	.	.	S	Bend	trans	158.2	167.8	176.4	0	0	0	0	0	112	K351 F352 E353	G349-K351 PolarHBondContact O-N 3Å; G349-F352 PolarHBondContact O-N 3.43Å; G349-E353 WeakPolarHBondContact O-CG 3.36Å; G349-E353 PolarHBondContact O-N 2.73Å
350	P	70.8	Confident	68.5	Low	114 Å²	114	74.3 Å²	74.3	74%	0.74	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.3	-178.5	23.3	-33.5	0	0	0	113.6
351	K	71.8	Confident	68.1	Low	58 Å²	58	74.1 Å²	74.1	25%	0.252	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-19.9	174.3	-61.4	-179.1	-178.4	174.6	0	114	G349 F359 N366 E369 D372	G349-K351 PolarHBondContact O-N 3Å; K351-F359 WeakPolarHBondContact O-CZ 3.4Å; K351-N366 HydrophobicContact CB-CB 4.14Å; K351-N366 PolarHBondContact O-ND2 2.92Å; K351-E369 IonicContact NZ-OE1 2.82Å; K351-E369 PolarHBondContact NZ-OE1 3.03Å; K351-D372 IonicContact NZ-OD2 3.97Å
352	F	74.3	Confident	67.4	Low	17 Å²	17	83.2 Å²	83.2	8%	0.075	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-8.9	-165.9	-51.1	-64.6	0	0	0	114	P329 L347 G349 I368 D372	P329-F352 WeakPolarHBondContact CG-O 3.3Å; L347-F352 HydrophobicContact CD1-CD2 4.38Å; L347-F352 HydrophobicContact CD1-CE2 4.37Å; L347-F352 HydrophobicContact CD2-CD1 4.43Å; L347-F352 HydrophobicContact CD2-CD2 3.93Å; L347-F352 HydrophobicContact CD2-CE1 4.21Å; L347-F352 HydrophobicContact CD2-CE2 3.67Å; L347-F352 HydrophobicContact CD2-CG 4.31Å; L347-F352 HydrophobicContact CD2-CZ 3.83Å; L347-F352 HydrophobicContact CG-CD2 3.73Å; L347-F352 HydrophobicContact CG-CE2 3.91Å; L347-F352 HydrophobicContact CG-CG 4.2Å; G349-F352 PolarHBondContact O-N 3.43Å; F352-I368 HydrophobicContact CE1-CB 4Å; F352-I368 HydrophobicContact CE1-CG1 3.94Å; F352-I368 HydrophobicContact CZ-CB 4.36Å; F352-I368 HydrophobicContact CZ-CG1 4Å; F352-D372 HydrophobicContact CE2-CB 4.42Å; F352-D372 HydrophobicContact CZ-CB 4.48Å
353	E	64.5	Low	66.5	Low	96 Å²	96	80.4 Å²	80.4	45%	0.449	41%	0.407	S	S	.	.			trans	-89.6	140.7	-177.8	-77.5	-173.7	174.9	0	0	114.3	K348 G349 F359	K348-E353 HydrophobicContact CB-CG 4.48Å; G349-E353 WeakPolarHBondContact O-CG 3.36Å; G349-E353 PolarHBondContact O-N 2.73Å; E353-F359 WeakPolarHBondContact O-CD2 3.43Å; E353-F359 WeakPolarHBondContact O-CE2 3.4Å
354	F	61.9	Low	65.1	Low	67 Å²	67	80.9 Å²	80.9	29%	0.294	41%	0.41	S	S	.	.			trans	-78.1	168.4	-176.2	-53.6	-98.7	0	0	0	113.4	Y328 P329 Q332 R346	Y328-F354 AromaticContact CD1-CD1 3.84Å; Y328-F354 HydrophobicContact CD1-CD1 3.84Å; Y328-F354 AromaticContact CD1-CE1 3.94Å; Y328-F354 HydrophobicContact CD1-CE1 3.94Å; P329-F354 HydrophobicContact CG-CD1 3.87Å; P329-F354 HydrophobicContact CG-CD2 4.49Å; P329-F354 HydrophobicContact CG-CE1 3.67Å; P329-F354 HydrophobicContact CG-CE2 4.24Å; P329-F354 HydrophobicContact CG-CG 4.29Å; P329-F354 HydrophobicContact CG-CZ 3.83Å; Q332-F354 HydrophobicContact CG-CZ 4.01Å; Q332-F354 VanDerWaalsContact OE1-CZ 3.25Å; R346-F354 VanDerWaalsContact NH1-CE2 3.32Å
355	G	50.3	Low	63.6	Low	80 Å²	80	86.1 Å²	86.1	83%	0.825	44%	0.438	S	S	*	.			trans	88.8	10.6	160	0	0	0	0	0	116.2
356	R	46.5	Very low	62.6	Low	183 Å²	183	85.9 Å²	85.9	69%	0.691	44%	0.439	S	S	*	.			trans	-98.8	125.2	168.6	-64.4	-173.4	-177.7	-168.7	1.2	109.7	G358 F359	R356-G358 PolarHBondContact O-N 3.2Å; R356-F359 PolarHBondContact O-N 3.34Å; R356-F359 VanDerWaalsContact O-N 3.17Å
357	K	44	Very low	62.4	Low	190 Å²	190	85.4 Å²	85.4	83%	0.826	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	131.2	163	-81.3	-174.6	175.6	180	0	108.5
358	G	47.2	Very low	62.3	Low	49 Å²	49	84.7 Å²	84.7	51%	0.505	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	15.7	-177.5	0	0	0	0	0	115.3	R356 N360 N361	R356-G358 PolarHBondContact O-N 3.2Å; G358-N360 PolarHBondContact O-N 3.39Å; G358-N361 WeakPolarHBondContact O-CB 3.37Å; G358-N361 PolarHBondContact O-N 3.24Å
359	F	47.5	Very low	62.7	Low	25 Å²	25	83.9 Å²	83.9	11%	0.11	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.4	172	-159.4	-79.1	0	0	0	112.6	P329 K351 E353 R356 N361	P329-F359 HydrophobicContact CB-CE1 3.91Å; P329-F359 HydrophobicContact CB-CZ 3.84Å; P329-F359 HydrophobicContact CG-CE1 3.97Å; P329-F359 HydrophobicContact CG-CE2 4.28Å; P329-F359 HydrophobicContact CG-CZ 3.69Å; K351-F359 WeakPolarHBondContact O-CZ 3.4Å; E353-F359 WeakPolarHBondContact O-CD2 3.43Å; E353-F359 WeakPolarHBondContact O-CE2 3.4Å; R356-F359 PolarHBondContact O-N 3.34Å; R356-F359 VanDerWaalsContact O-N 3.17Å; F359-N361 PolarHBondContact O-N 3.28Å
360	N	47.9	Very low	63.6	Low	58 Å²	58	84.7 Å²	84.7	31%	0.31	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	15.5	170	-65	-23.1	0	0	0	113.8	Y326 G327 G358 R362	Y326-N360 WeakPolarHBondContact CD1-ND2 3.06Å; Y326-N360 WeakPolarHBondContact CD2-ND2 3.48Å; Y326-N360 WeakPolarHBondContact CE1-ND2 2.91Å; Y326-N360 VanDerWaalsContact CE2-ND2 3.31Å; Y326-N360 WeakPolarHBondContact CE2-ND2 3.42Å; Y326-N360 VanDerWaalsContact CG-ND2 3.35Å; G327-N360 WeakPolarHBondContact CA-ND2 3.4Å; G327-N360 WeakPolarHBondContact CA-OD1 3.49Å; G327-N360 PolarHBondContact N-ND2 2.96Å; G327-N360 PolarHBondContact N-OD1 3.38Å; G358-N360 PolarHBondContact O-N 3.39Å; N360-R362 PolarHBondContact O-N 3.3Å
361	N	52.7	Low	64.8	Low	73 Å²	73	84.3 Å²	84.3	39%	0.39	42%	0.421	S	S	.	.			trans	-61.1	114.7	173.1	-175.3	-1.8	0	0	0	108.1	G358 F359 D363 L364	G358-N361 WeakPolarHBondContact O-CB 3.37Å; G358-N361 PolarHBondContact O-N 3.24Å; F359-N361 PolarHBondContact O-N 3.28Å; N361-D363 PolarHBondContact O-N 3.27Å; N361-D363 VanDerWaalsContact O-N 3.1Å; N361-D363 WeakPolarHBondContact OD1-CB 3.39Å; N361-D363 PolarHBondContact OD1-N 2.85Å; N361-D363 PolarHBondContact OD1-OD2 3.25Å; N361-L364 HydrophobicContact CB-CD1 3.98Å; N361-L364 HydrophobicContact CB-CG 4.1Å; N361-L364 WeakPolarHBondContact O-CB 3.37Å; N361-L364 PolarHBondContact O-N 2.96Å
362	R	53.1	Low	65.9	Low	235 Å²	235	83.6 Å²	83.6	89%	0.887	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-20.7	179.2	-65.8	-175.3	-177.4	-173.1	0.8	112.4	N360 L364	N360-R362 PolarHBondContact O-N 3.3Å; R362-L364 VanDerWaalsContact C-N 3.31Å
363	D	53.8	Low	67	Low	143 Å²	143	82.8 Å²	82.8	77%	0.765	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-18.1	176.8	-55.4	-30	0	0	0	112.9	N361 M365	N361-D363 PolarHBondContact O-N 3.27Å; N361-D363 VanDerWaalsContact O-N 3.1Å; N361-D363 WeakPolarHBondContact OD1-CB 3.39Å; N361-D363 PolarHBondContact OD1-N 2.85Å; N361-D363 PolarHBondContact OD1-OD2 3.25Å; D363-M365 PolarHBondContact O-N 3.11Å; D363-M365 VanDerWaalsContact O-N 3.12Å
364	L	54.2	Low	68.6	Low	84 Å²	84	79.3 Å²	79.3	44%	0.44	40%	0.401	S	S	.	.			trans	-81.8	84.7	170.2	-65.2	170.2	0	0	0	108	N361 R362 N366	N361-L364 HydrophobicContact CB-CD1 3.98Å; N361-L364 HydrophobicContact CB-CG 4.1Å; N361-L364 WeakPolarHBondContact O-CB 3.37Å; N361-L364 PolarHBondContact O-N 2.96Å; R362-L364 VanDerWaalsContact C-N 3.31Å; L364-N366 PolarHBondContact O-N 3.28Å
365	M	57	Low	70.2	Confident	144 Å²	144	79.3 Å²	79.3	71%	0.709	40%	0.404	S	S	*	.			trans	-64.5	75.1	162.5	-93.1	-174.4	70.3	0	0	109.1	D363 M367	D363-M365 PolarHBondContact O-N 3.11Å; D363-M365 VanDerWaalsContact O-N 3.12Å; M365-M367 PolarHBondContact O-N 2.88Å
366	N	72.1	Confident	72.5	Confident	28 Å²	28	75.8 Å²	75.8	15%	0.15	37%	0.366	C	S	.	.			trans	-83.5	52.8	177.2	-72	-17.7	0	0	0	109.9	F331 K351 L364	F331-N366 WeakPolarHBondContact CD2-O 3.5Å; K351-N366 HydrophobicContact CB-CB 4.14Å; K351-N366 PolarHBondContact O-ND2 2.92Å; L364-N366 PolarHBondContact O-N 3.28Å
367	M	86.1	Confident	74.9	Confident	12 Å²	12	67 Å²	67	6%	0.059	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-66.7	137	172.8	179.7	56.3	61.4	0	0	109.4	E282 L285 A286 F331 M365 E369	E282-M367 HydrophobicContact CB-CE 3.68Å; E282-M367 HydrophobicContact CG-CE 3.77Å; L285-M367 HydrophobicContact CB-CE 4.22Å; L285-M367 HydrophobicContact CD2-CE 3.84Å; L285-M367 HydrophobicContact CD2-CG 4.33Å; L285-M367 HydrophobicContact CD2-SD 4.36Å; L285-M367 HydrophobicContact CG-CE 4.06Å; L285-M367 HydrophobicContact CG-CG 4.45Å; L285-M367 HydrophobicContact CG-SD 4.12Å; A286-M367 HydrophobicContact CB-SD 3.85Å; F331-M367 HydrophobicContact CE2-CE 4.33Å; F331-M367 HydrophobicContact CE2-SD 4.2Å; F331-M367 HydrophobicContact CZ-CE 4.17Å; F331-M367 HydrophobicContact CZ-SD 4.23Å; M365-M367 PolarHBondContact O-N 2.88Å; M367-E369 PolarHBondContact O-N 3.23Å
368	I	89.8	Confident	77.5	Confident	1 Å²	1	61 Å²	61	1%	0.005	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-73.9	120.2	170	-164.3	177	0	0	0	109.3	L274 A286 N289 F331 L333 L347 F352 I373	L274-I368 HydrophobicContact CD1-CD1 3.89Å; A286-I368 HydrophobicContact CB-CG2 4.11Å; N289-I368 WeakPolarHBondContact CB-O 2.93Å; N289-I368 PolarHBondContact ND2-O 3.29Å; F331-I368 HydrophobicContact CB-CB 4.32Å; F331-I368 HydrophobicContact CB-CG2 4.38Å; F331-I368 HydrophobicContact CD2-CB 4.48Å; F331-I368 HydrophobicContact CD2-CG2 4.49Å; F331-I368 HydrophobicContact CG-CB 4.42Å; F331-I368 HydrophobicContact CG-CG2 4.19Å; L333-I368 HydrophobicContact CB-CD1 4.26Å; L333-I368 HydrophobicContact CD2-CD1 4.38Å; L347-I368 HydrophobicContact CD2-CD1 3.87Å; L347-I368 HydrophobicContact CD2-CG1 4.11Å; F352-I368 HydrophobicContact CE1-CB 4Å; F352-I368 HydrophobicContact CE1-CG1 3.94Å; F352-I368 HydrophobicContact CZ-CB 4.36Å; F352-I368 HydrophobicContact CZ-CG1 4Å; I368-I373 HydrophobicContact CD1-CD1 3.79Å; I368-I373 HydrophobicContact CD1-CG1 3.67Å; I368-I373 HydrophobicContact CG1-CD1 3.81Å; I368-I373 HydrophobicContact CG1-CG1 3.74Å
369	E	93	Very high	79.9	Confident	88 Å²	88	62.5 Å²	62.5	41%	0.411	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-96.8	151	-177.4	-66.6	171.8	-152	0	0	111.5	K351 M367 Q371 D372 I373	K351-E369 IonicContact NZ-OE1 2.82Å; K351-E369 PolarHBondContact NZ-OE1 3.03Å; M367-E369 PolarHBondContact O-N 3.23Å; E369-Q371 VanDerWaalsContact C-N 3.25Å; E369-Q371 PolarHBondContact O-N 2.72Å; E369-D372 PolarHBondContact O-N 3.37Å; E369-I373 WeakPolarHBondContact O-CG1 3.31Å; E369-I373 PolarHBondContact O-N 3.49Å
370	T	96.8	Very high	82.1	Confident	34 Å²	34	61.5 Å²	61.5	21%	0.209	30%	0.3	C	S	.	.	H	α-helix	trans	-55	-40.6	178.4	-64.5	0	0	0	0	112.4	N289 N292 A293 I373 I374	N289-T370 VanDerWaalsContact CA-OG1 3.24Å; N289-T370 WeakPolarHBondContact CA-OG1 3.29Å; N289-T370 PolarHBondContact O-OG1 3.19Å; N292-T370 HydrophobicContact CB-CG2 3.89Å; A293-T370 HydrophobicContact CB-CG2 4.16Å; T370-I373 PolarHBondContact O-N 3.02Å; T370-I374 HydrophobicContact CG2-CD1 3.72Å; T370-I374 HydrophobicContact CG2-CG1 4.29Å; T370-I374 VanDerWaalsContact O-CG1 3.31Å; T370-I374 WeakPolarHBondContact O-CG1 3.26Å; T370-I374 PolarHBondContact O-N 2.68Å
371	Q	95.8	Very high	84.4	Confident	105 Å²	105	60.3 Å²	60.3	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-68.5	-36.7	-178.2	-168.3	60.6	48.5	0	0	112.8	E369 I373 I374 N375	E369-Q371 VanDerWaalsContact C-N 3.25Å; E369-Q371 PolarHBondContact O-N 2.72Å; Q371-I373 VanDerWaalsContact C-N 3.25Å; Q371-I373 PolarHBondContact O-N 2.79Å; Q371-I374 PolarHBondContact O-N 2.81Å; Q371-N375 PolarHBondContact NE2-OD1 3.41Å; Q371-N375 WeakPolarHBondContact O-CB 3.49Å; Q371-N375 PolarHBondContact O-N 3.27Å; Q371-N375 PolarHBondContact O-ND2 2.9Å
372	D	94.8	Very high	86.4	Confident	43 Å²	43	61.8 Å²	61.8	23%	0.23	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-40.4	175.3	-67.5	-35.1	0	0	0	110.6	K351 F352 E369 F376	K351-D372 IonicContact NZ-OD2 3.97Å; F352-D372 HydrophobicContact CE2-CB 4.42Å; F352-D372 HydrophobicContact CZ-CB 4.48Å; E369-D372 PolarHBondContact O-N 3.37Å; D372-F376 WeakPolarHBondContact O-CB 3.36Å; D372-F376 PolarHBondContact O-N 3.36Å; D372-F376 VanDerWaalsContact O-N 3.08Å
373	I	97.2	Very high	88.2	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-71.5	-43.7	180	-55.9	164.9	0	0	0	111	Y290 A293 L333 I368 E369 T370 Q371 N375 F376 F377	Y290-I373 HydrophobicContact CD2-CD1 4.05Å; Y290-I373 HydrophobicContact CD2-CG2 4.04Å; Y290-I373 HydrophobicContact CE2-CG2 4.35Å; A293-I373 HydrophobicContact CB-CB 3.65Å; A293-I373 HydrophobicContact CB-CD1 4.47Å; A293-I373 HydrophobicContact CB-CG2 3.39Å; L333-I373 HydrophobicContact CD2-CG1 4.3Å; L333-I373 HydrophobicContact CD2-CG2 3.99Å; I368-I373 HydrophobicContact CD1-CD1 3.79Å; I368-I373 HydrophobicContact CD1-CG1 3.67Å; I368-I373 HydrophobicContact CG1-CD1 3.81Å; I368-I373 HydrophobicContact CG1-CG1 3.74Å; E369-I373 WeakPolarHBondContact O-CG1 3.31Å; E369-I373 PolarHBondContact O-N 3.49Å; T370-I373 PolarHBondContact O-N 3.02Å; Q371-I373 VanDerWaalsContact C-N 3.25Å; Q371-I373 PolarHBondContact O-N 2.79Å; I373-N375 PolarHBondContact O-N 2.96Å; I373-F376 WeakPolarHBondContact O-CB 3.19Å; I373-F376 PolarHBondContact O-N 3.44Å; I373-F377 HydrophobicContact CG2-CD1 4.4Å; I373-F377 HydrophobicContact CG2-CD2 4.13Å; I373-F377 HydrophobicContact CG2-CE1 3.99Å; I373-F377 HydrophobicContact CG2-CE2 3.73Å; I373-F377 HydrophobicContact CG2-CG 4.48Å; I373-F377 HydrophobicContact CG2-CZ 3.68Å; I373-F377 WeakPolarHBondContact O-CG 3.29Å; I373-F377 PolarHBondContact O-N 2.82Å
374	I	98.2	Very high	90.1	Very high	23 Å²	23	61 Å²	61	12%	0.118	29%	0.288	C	S	.	.	H	α-helix	trans	-58.4	-49.3	175.5	-69.1	169.1	0	0	0	110.1	A293 L296 F297 T370 Q371 F376 F377 D378	A293-I374 HydrophobicContact CB-CG1 3.9Å; L296-I374 HydrophobicContact CD1-CD1 3.57Å; L296-I374 HydrophobicContact CD1-CG1 4.01Å; F297-I374 HydrophobicContact CE2-CB 4.46Å; F297-I374 HydrophobicContact CE2-CG1 4.29Å; F297-I374 HydrophobicContact CE2-CG2 4.21Å; F297-I374 HydrophobicContact CZ-CG2 4.21Å; T370-I374 HydrophobicContact CG2-CD1 3.72Å; T370-I374 HydrophobicContact CG2-CG1 4.29Å; T370-I374 VanDerWaalsContact O-CG1 3.31Å; T370-I374 WeakPolarHBondContact O-CG1 3.26Å; T370-I374 PolarHBondContact O-N 2.68Å; Q371-I374 PolarHBondContact O-N 2.81Å; I374-F376 VanDerWaalsContact C-N 3.25Å; I374-F376 PolarHBondContact O-N 3.45Å; I374-F377 PolarHBondContact O-N 3.22Å; I374-F377 VanDerWaalsContact O-N 3.11Å; I374-D378 PolarHBondContact O-N 2.78Å
375	N	97.5	Very high	91.9	Very high	68 Å²	68	58.4 Å²	58.4	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-60	-37.6	179.1	-69.4	-14.5	0	0	0	112.1	Q371 I373 Q379	Q371-N375 PolarHBondContact NE2-OD1 3.41Å; Q371-N375 WeakPolarHBondContact O-CB 3.49Å; Q371-N375 PolarHBondContact O-N 3.27Å; Q371-N375 PolarHBondContact O-ND2 2.9Å; I373-N375 PolarHBondContact O-N 2.96Å; N375-Q379 WeakPolarHBondContact O-CB 3.32Å; N375-Q379 VanDerWaalsContact O-CG 3.29Å; N375-Q379 WeakPolarHBondContact O-CG 3.49Å; N375-Q379 PolarHBondContact O-N 3.19Å; N375-Q379 VanDerWaalsContact O-N 3.14Å; N375-Q379 PolarHBondContact O-NE2 3.22Å
376	F	97	Very high	93.3	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.022	27%	0.266	C	S	.	.	H	α-helix	trans	-65.7	-45.2	174.8	176.1	-111.2	0	0	0	112.1	L333 A335 R346 L347 D372 I373 I374 Q379 L380 L385	L333-F376 HydrophobicContact CD2-CD1 3.56Å; L333-F376 HydrophobicContact CD2-CE1 3.86Å; L333-F376 HydrophobicContact CD2-CG 4.44Å; L333-F376 HydrophobicContact CG-CD1 4.31Å; L333-F376 HydrophobicContact CG-CE1 4.1Å; A335-F376 HydrophobicContact CB-CE1 4.11Å; A335-F376 HydrophobicContact CB-CZ 4.04Å; R346-F376 VanDerWaalsContact C-CE2 3.42Å; L347-F376 HydrophobicContact CB-CD2 4.24Å; L347-F376 HydrophobicContact CB-CE2 4.43Å; L347-F376 HydrophobicContact CB-CG 4.39Å; L347-F376 HydrophobicContact CD1-CB 4.02Å; L347-F376 HydrophobicContact CD1-CD2 4.29Å; L347-F376 HydrophobicContact CD1-CG 4.29Å; D372-F376 WeakPolarHBondContact O-CB 3.36Å; D372-F376 PolarHBondContact O-N 3.36Å; D372-F376 VanDerWaalsContact O-N 3.08Å; I373-F376 WeakPolarHBondContact O-CB 3.19Å; I373-F376 PolarHBondContact O-N 3.44Å; I374-F376 VanDerWaalsContact C-N 3.25Å; I374-F376 PolarHBondContact O-N 3.45Å; F376-Q379 PolarHBondContact O-N 3.41Å; F376-L380 VanDerWaalsContact O-CB 3.26Å; F376-L380 WeakPolarHBondContact O-CB 2.93Å; F376-L380 PolarHBondContact O-N 2.6Å; F376-L385 HydrophobicContact CD2-CD1 3.58Å; F376-L385 HydrophobicContact CD2-CD2 4.36Å; F376-L385 HydrophobicContact CE2-CD1 3.35Å; F376-L385 HydrophobicContact CZ-CD1 4.14Å
377	F	97.8	Very high	94	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-42.3	178.1	-71.8	-4.1	0	0	0	112.6	V272 Y290 F297 I301 L333 I373 I374 Q379 L380 L381	V272-F377 HydrophobicContact CB-CE1 4.18Å; V272-F377 HydrophobicContact CB-CZ 4.26Å; V272-F377 HydrophobicContact CG1-CE1 3.72Å; V272-F377 HydrophobicContact CG1-CZ 3.93Å; V272-F377 HydrophobicContact CG2-CE1 3.75Å; V272-F377 HydrophobicContact CG2-CZ 4.17Å; Y290-F377 AromaticContact CE2-CZ 3.88Å; Y290-F377 HydrophobicContact CE2-CZ 3.88Å; F297-F377 HydrophobicContact CB-CD2 4.28Å; F297-F377 HydrophobicContact CD1-CB 4.15Å; F297-F377 HydrophobicContact CD2-CB 4.01Å; F297-F377 AromaticContact CD2-CD2 3.48Å; F297-F377 HydrophobicContact CD2-CD2 3.48Å; F297-F377 VanDerWaalsContact CD2-CD2 3.48Å; F297-F377 HydrophobicContact CD2-CE2 4.42Å; F297-F377 HydrophobicContact CD2-CG 4.25Å; F297-F377 HydrophobicContact CE1-CB 3.94Å; F297-F377 HydrophobicContact CE2-CB 3.81Å; F297-F377 AromaticContact CE2-CD2 3.9Å; F297-F377 HydrophobicContact CE2-CD2 3.9Å; F297-F377 HydrophobicContact CE2-CG 4.38Å; F297-F377 HydrophobicContact CG-CB 4.16Å; F297-F377 AromaticContact CG-CD2 3.93Å; F297-F377 HydrophobicContact CG-CD2 3.93Å; F297-F377 HydrophobicContact CG-CG 4.49Å; F297-F377 HydrophobicContact CZ-CB 3.76Å; I301-F377 HydrophobicContact CD1-CB 3.6Å; I301-F377 HydrophobicContact CD1-CD1 3.81Å; I301-F377 HydrophobicContact CD1-CD2 3.84Å; I301-F377 HydrophobicContact CD1-CE1 4.4Å; I301-F377 HydrophobicContact CD1-CE2 4.39Å; I301-F377 HydrophobicContact CD1-CG 3.48Å; I301-F377 VanDerWaalsContact CD1-CG 3.48Å; I301-F377 HydrophobicContact CG2-CE1 4.43Å; I301-F377 HydrophobicContact CG2-CE2 4.28Å; I301-F377 HydrophobicContact CG2-CZ 4.11Å; L333-F377 HydrophobicContact CD2-CE1 4.2Å; I373-F377 HydrophobicContact CG2-CD1 4.4Å; I373-F377 HydrophobicContact CG2-CD2 4.13Å; I373-F377 HydrophobicContact CG2-CE1 3.99Å; I373-F377 HydrophobicContact CG2-CE2 3.73Å; I373-F377 HydrophobicContact CG2-CG 4.48Å; I373-F377 HydrophobicContact CG2-CZ 3.68Å; I373-F377 WeakPolarHBondContact O-CG 3.29Å; I373-F377 PolarHBondContact O-N 2.82Å; I374-F377 PolarHBondContact O-N 3.22Å; I374-F377 VanDerWaalsContact O-N 3.11Å; F377-Q379 PolarHBondContact O-N 3.08Å; F377-L380 WeakPolarHBondContact O-CB 3.49Å; F377-L380 PolarHBondContact O-N 3.41Å; F377-L381 WeakPolarHBondContact O-CG 3.09Å; F377-L381 PolarHBondContact O-N 3.25Å
378	D	97.8	Very high	93.9	Very high	62 Å²	62	57.2 Å²	57.2	33%	0.332	28%	0.278	S	S	.	.	H	α-helix	trans	-60.3	-46.8	174.4	-79.2	-30.5	0	0	0	111.6	F297 I374 L380 L381 Q382	F297-D378 WeakPolarHBondContact CE1-OD1 3.47Å; F297-D378 WeakPolarHBondContact CZ-OD1 3.04Å; I374-D378 PolarHBondContact O-N 2.78Å; D378-L380 VanDerWaalsContact C-N 3.33Å; D378-L380 PolarHBondContact O-N 3.06Å; D378-L381 PolarHBondContact O-N 3.32Å; D378-Q382 VanDerWaalsContact O-CB 3.27Å; D378-Q382 WeakPolarHBondContact O-CB 3.03Å; D378-Q382 WeakPolarHBondContact O-CG 3.5Å; D378-Q382 PolarHBondContact O-N 2.98Å
379	Q	97	Very high	93.6	Very high	82 Å²	82	61.6 Å²	61.6	38%	0.383	30%	0.296	S	S	.	.	H	α-helix	trans	-66.4	-35.6	177.7	-72.4	177.8	64.1	0	0	112.7	N375 F376 F377 R383 K384 L385	N375-Q379 WeakPolarHBondContact O-CB 3.32Å; N375-Q379 VanDerWaalsContact O-CG 3.29Å; N375-Q379 WeakPolarHBondContact O-CG 3.49Å; N375-Q379 PolarHBondContact O-N 3.19Å; N375-Q379 VanDerWaalsContact O-N 3.14Å; N375-Q379 PolarHBondContact O-NE2 3.22Å; F376-Q379 PolarHBondContact O-N 3.41Å; F377-Q379 PolarHBondContact O-N 3.08Å; Q379-R383 PolarHBondContact O-N 3.41Å; Q379-R383 VanDerWaalsContact O-N 3.11Å; Q379-K384 HydrophobicContact CB-CB 4.28Å; Q379-K384 HydrophobicContact CG-CB 4.47Å; Q379-K384 PolarHBondContact O-N 3.24Å; Q379-L385 HydrophobicContact CB-CD1 4.36Å; Q379-L385 HydrophobicContact CB-CD2 3.71Å; Q379-L385 HydrophobicContact CB-CG 3.74Å
380	L	95.3	Very high	93.2	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-52.2	175.4	-178.3	68.2	0	0	0	110.6	H270 V272 I301 A335 Y345 F376 F377 D378 Q382 R383 L385	H270-L380 HydrophobicContact CB-CD2 3.87Å; V272-L380 HydrophobicContact CG2-CD2 4.33Å; I301-L380 HydrophobicContact CD1-CD2 4.34Å; A335-L380 HydrophobicContact CB-CD1 4.04Å; A335-L380 HydrophobicContact CB-CD2 3.59Å; A335-L380 HydrophobicContact CB-CG 4.49Å; Y345-L380 HydrophobicContact CD1-CD1 4.35Å; Y345-L380 HydrophobicContact CD2-CD1 3.3Å; Y345-L380 HydrophobicContact CE2-CD1 3.83Å; Y345-L380 HydrophobicContact CG-CD1 3.59Å; F376-L380 VanDerWaalsContact O-CB 3.26Å; F376-L380 WeakPolarHBondContact O-CB 2.93Å; F376-L380 PolarHBondContact O-N 2.6Å; F377-L380 WeakPolarHBondContact O-CB 3.49Å; F377-L380 PolarHBondContact O-N 3.41Å; D378-L380 VanDerWaalsContact C-N 3.33Å; D378-L380 PolarHBondContact O-N 3.06Å; L380-Q382 VanDerWaalsContact C-N 3.31Å; L380-Q382 PolarHBondContact O-N 3.15Å; L380-R383 PolarHBondContact O-N 3.47Å; L380-L385 HydrophobicContact CB-CD1 3.79Å; L380-L385 HydrophobicContact CD1-CD1 4.05Å
381	L	94.6	Very high	92.5	Very high	34 Å²	34	57 Å²	57	18%	0.178	27%	0.274	C	S	.	.	H	α-helix	trans	-67.1	-31.7	179.9	-68.1	173.7	0	0	0	112.8	K269 F297 E300 I301 F377 D378 R383	K269-L381 HydrophobicContact CB-CD2 4.25Å; K269-L381 HydrophobicContact CD-CD2 3.64Å; F297-L381 HydrophobicContact CD1-CD1 3.55Å; F297-L381 HydrophobicContact CE1-CD1 3.87Å; E300-L381 HydrophobicContact CB-CD1 4.31Å; E300-L381 HydrophobicContact CB-CD2 4.05Å; I301-L381 HydrophobicContact CD1-CD1 4.14Å; I301-L381 HydrophobicContact CD1-CD2 4.47Å; I301-L381 HydrophobicContact CD1-CG 4.19Å; I301-L381 HydrophobicContact CG1-CD1 4.48Å; I301-L381 HydrophobicContact CG1-CD2 4.29Å; F377-L381 WeakPolarHBondContact O-CG 3.09Å; F377-L381 PolarHBondContact O-N 3.25Å; D378-L381 PolarHBondContact O-N 3.32Å; L381-R383 PolarHBondContact O-N 3.24Å
382	Q	95.1	Very high	91.8	Very high	103 Å²	103	53.2 Å²	53.2	48%	0.481	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-0.9	173.3	-66.9	171.1	33.5	0	0	113.5	D378 L380 K384	D378-Q382 VanDerWaalsContact O-CB 3.27Å; D378-Q382 WeakPolarHBondContact O-CB 3.03Å; D378-Q382 WeakPolarHBondContact O-CG 3.5Å; D378-Q382 PolarHBondContact O-N 2.98Å; L380-Q382 VanDerWaalsContact C-N 3.31Å; L380-Q382 PolarHBondContact O-N 3.15Å; Q382-K384 HydrophobicContact CB-CD 4.05Å; Q382-K384 HydrophobicContact CB-CG 4Å; Q382-K384 PolarHBondContact O-N 3.33Å
383	R	90.9	Very high	90.6	Very high	220 Å²	220	54.9 Å²	54.9	83%	0.83	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	33.8	-177	-55.4	-179.7	177.1	177.5	-1.1	113.7	Q379 L380 L381	Q379-R383 PolarHBondContact O-N 3.41Å; Q379-R383 VanDerWaalsContact O-N 3.11Å; L380-R383 PolarHBondContact O-N 3.47Å; L381-R383 PolarHBondContact O-N 3.24Å
384	K	93.8	Very high	89.1	Confident	141 Å²	141	56.8 Å²	56.8	61%	0.613	28%	0.276	S	S	*	.			trans	-90	-13.6	179.3	-71.4	179.4	175.1	171.9	0	113.5	Q379 Q382	Q379-K384 HydrophobicContact CB-CB 4.28Å; Q379-K384 HydrophobicContact CG-CB 4.47Å; Q379-K384 PolarHBondContact O-N 3.24Å; Q382-K384 HydrophobicContact CB-CD 4.05Å; Q382-K384 HydrophobicContact CB-CG 4Å; Q382-K384 PolarHBondContact O-N 3.33Å
385	L	92.1	Very high	86.8	Confident	31 Å²	31	57.3 Å²	57.3	16%	0.162	28%	0.28	C	S	.	.	S	Bend	trans	-80.6	142	179.9	-63.1	176.2	0	0	0	111.8	Y345 F376 Q379 L380	Y345-L385 HydrophobicContact CD1-CB 3.56Å; Y345-L385 HydrophobicContact CD1-CD1 4.43Å; Y345-L385 HydrophobicContact CE1-CB 4.11Å; Y345-L385 WeakPolarHBondContact CE1-O 3.41Å; Y345-L385 HydrophobicContact CG-CB 4.36Å; Y345-L385 HydrophobicContact CG-CD1 4.46Å; F376-L385 HydrophobicContact CD2-CD1 3.58Å; F376-L385 HydrophobicContact CD2-CD2 4.36Å; F376-L385 HydrophobicContact CE2-CD1 3.35Å; F376-L385 HydrophobicContact CZ-CD1 4.14Å; Q379-L385 HydrophobicContact CB-CD1 4.36Å; Q379-L385 HydrophobicContact CB-CD2 3.71Å; Q379-L385 HydrophobicContact CB-CG 3.74Å; L380-L385 HydrophobicContact CB-CD1 3.79Å; L380-L385 HydrophobicContact CD1-CD1 4.05Å
386	S	87.6	Confident	84.7	Confident	77 Å²	77	61.1 Å²	61.1	54%	0.538	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-78.3	142.7	167.9	53	0	0	0	0	111.1
387	P	86.8	Confident	82.3	Confident	50 Å²	50	67.1 Å²	67.1	33%	0.325	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-53.8	143.2	172.1	-27.5	36.2	0	0	0	112.4	I343 R344 Y389	I343-P387 HydrophobicContact CG2-CB 4.18Å; I343-P387 HydrophobicContact CG2-CG 4.2Å; R344-P387 CarbonylContact O-C 3.51Å; R344-P387 WeakPolarHBondContact O-CA 3.35Å; P387-Y389 HydrophobicContact CB-CE2 4.32Å
388	F	83.9	Confident	79.9	Confident	31 Å²	31	71 Å²	71	14%	0.136	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-92.3	120.8	168.6	170.3	-99.4	0	0	0	109	R344 R346 M390	R344-F388 HydrophobicContact CB-CB 4.4Å; R344-F388 HydrophobicContact CB-CD1 4.2Å; R344-F388 PolarHBondContact O-N 3.12Å; R346-F388 HydrophobicContact CB-CB 4.08Å; R346-F388 HydrophobicContact CB-CD2 4.17Å; R346-F388 HydrophobicContact CB-CG 4.04Å; R346-F388 VanDerWaalsContact CZ-CE1 3.46Å; F388-M390 HydrophobicContact CE1-CG 4.05Å
389	Y	82.2	Confident	77.6	Confident	94 Å²	94	75.8 Å²	75.8	37%	0.369	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-92.6	124.6	173.2	-65.1	-87.4	0	0	0	109.2	P387 D492 E494	P387-Y389 HydrophobicContact CB-CE2 4.32Å; Y389-D492 HydrophobicContact CD1-CB 3.77Å; Y389-D492 HydrophobicContact CG-CB 4.36Å; Y389-E494 HydrophobicContact CD1-CB 4.38Å; Y389-E494 HydrophobicContact CD2-CB 4.29Å; Y389-E494 HydrophobicContact CE1-CB 4.1Å; Y389-E494 HydrophobicContact CE2-CB 3.99Å; Y389-E494 HydrophobicContact CE2-CG 4.03Å; Y389-E494 HydrophobicContact CG-CB 4.49Å
390	M	84.6	Confident	75.4	Confident	9 Å²	9	78.7 Å²	78.7	4%	0.044	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-60.1	143.4	172.6	-69.4	-178.2	39	0	0	110.9	Q318 R344 F388 N491 D492	Q318-M390 WeakPolarHBondContact O-CE 3.47Å; R344-M390 PolarHBondContact NH1-SD 2.93Å; R344-M390 VanDerWaalsContact NH1-SD 3.41Å; R344-M390 PolarHBondContact NH2-SD 3.17Å; F388-M390 HydrophobicContact CE1-CG 4.05Å; M390-N491 WeakPolarHBondContact O-CA 3.17Å; M390-D492 HydrophobicContact CB-CB 4.38Å; M390-D492 WeakPolarHBondContact CB-OD2 3.48Å; M390-D492 VanDerWaalsContact CG-OD2 3.29Å; M390-D492 WeakPolarHBondContact CG-OD2 3.36Å; M390-D492 PolarHBondContact N-OD2 3.27Å; M390-D492 PolarHBondContact O-N 3.45Å
391	S	83.7	Confident	73.2	Confident	17 Å²	17	79.8 Å²	79.8	12%	0.119	39%	0.388	C	S	.	.			trans	-144.3	138.3	169.5	-176.1	0	0	0	0	108.3	H323 V431 G432 A433 N491	H323-S391 PolarHBondContact CE1-O 3.49Å; H323-S391 PolarHBondContact NE2-O 2.87Å; S391-V431 WeakPolarHBondContact OG-CB 3.1Å; S391-V431 WeakPolarHBondContact OG-CG2 3.09Å; S391-G432 PolarHBondContact OG-N 3.29Å; S391-A433 VanDerWaalsContact CB-N 3.31Å; S391-A433 VanDerWaalsContact OG-CB 3.31Å; S391-A433 WeakPolarHBondContact OG-CB 2.99Å; S391-A433 PolarHBondContact OG-N 2.87Å; S391-N491 WeakPolarHBondContact CA-OD1 3.25Å
392	E	80.5	Confident	70.8	Confident	25 Å²	25	82.3 Å²	82.3	12%	0.117	41%	0.409	C	S	.	.			trans	-55	155.9	155.2	-69.2	178.8	-87.8	0	0	109.9	V394 K429 V431 Y487 L490 N491	E392-V394 PolarHBondContact O-N 3.08Å; E392-K429 WeakPolarHBondContact OE2-CE 3.49Å; E392-K429 IonicContact OE2-NZ 3.35Å; E392-K429 PolarHBondContact OE2-NZ 2.88Å; E392-V431 HydrophobicContact CB-CB 4.1Å; E392-V431 HydrophobicContact CB-CG1 3.66Å; E392-Y487 WeakPolarHBondContact OE1-CD2 3.35Å; E392-Y487 WeakPolarHBondContact OE2-CD2 3.44Å; E392-L490 HydrophobicContact CG-CB 3.51Å; E392-L490 HydrophobicContact CG-CD1 4.01Å; E392-L490 HydrophobicContact CG-CG 4.41Å; E392-N491 PolarHBondContact N-OD1 3.07Å; E392-N491 PolarHBondContact OE1-ND2 2.94Å
393	I	68.8	Low	68.2	Low	78 Å²	78	83.9 Å²	83.9	40%	0.4	42%	0.42	S	S	.	.			trans	-63.2	134.6	172.8	-60.8	140.5	0	0	0	107.6	Y328 P395	Y328-I393 HydrophobicContact CE1-CD1 4.16Å; Y328-I393 HydrophobicContact CE1-CG1 4.26Å; Y328-I393 WeakPolarHBondContact OH-CD1 3.47Å; I393-P395 WeakPolarHBondContact O-CD 3.29Å
394	V	65.6	Low	65.8	Low	40 Å²	40	78.1 Å²	78.1	24%	0.242	41%	0.406	C	S	.	.			trans	-72	109.7	163.9	-175	0	0	0	0	105.7	E392 E396 L413 V431 A433 T434	E392-V394 PolarHBondContact O-N 3.08Å; V394-E396 PolarHBondContact O-N 3.14Å; V394-L413 HydrophobicContact CG1-CD1 4.34Å; V394-L413 HydrophobicContact CG2-CD1 4.06Å; V394-V431 HydrophobicContact CG2-CG2 3.55Å; V394-A433 HydrophobicContact CG2-CB 4.36Å; V394-T434 HydrophobicContact CG1-CG2 4.23Å; V394-T434 HydrophobicContact CG2-CG2 3.57Å
395	P	50.9	Low	63.4	Low	33 Å²	33	77.3 Å²	77.3	21%	0.214	41%	0.407	C	S	.	.			trans	-60.4	137.5	178.4	-22.7	38.7	0	0	0	109.7	I393 H410	I393-P395 WeakPolarHBondContact O-CD 3.29Å; P395-H410 WeakPolarHBondContact CB-NE2 3.48Å; P395-H410 WeakPolarHBondContact CD-CE1 3.39Å; P395-H410 WeakPolarHBondContact CD-NE2 3.45Å; P395-H410 VanDerWaalsContact CG-CE1 3.5Å; P395-H410 WeakPolarHBondContact CG-CE1 3.27Å; P395-H410 WeakPolarHBondContact CG-NE2 3.41Å
396	E	52.3	Low	61	Low	149 Å²	149	80.3 Å²	80.3	70%	0.696	42%	0.42	S	S	*	.			trans	-65.5	135.6	170.6	-71.7	-170.7	174.6	0	0	108.3	V394 D398	V394-E396 PolarHBondContact O-N 3.14Å; E396-D398 PolarHBondContact O-N 3.37Å
397	Y	47.8	Very low	58.6	Low	131 Å²	131	78.4 Å²	78.4	51%	0.514	40%	0.404	S	S	.	.			trans	-67.2	114.9	173.5	-174.9	-103.5	0	0	0	108.9	E399	Y397-E399 HydrophobicContact CD1-CG 4.02Å; Y397-E399 HydrophobicContact CE1-CG 3.52Å
398	D	47.5	Very low	56.2	Low	80 Å²	80	78.5 Å²	78.5	43%	0.428	40%	0.401	S	S	.	.			trans	-103.4	109	171.2	-174	-1.7	0	0	0	109.2	E396 N400 A401	E396-D398 PolarHBondContact O-N 3.37Å; D398-N400 PolarHBondContact O-N 3.3Å; D398-N400 VanDerWaalsContact O-N 3.1Å; D398-N400 WeakPolarHBondContact OD1-CB 3.26Å; D398-N400 PolarHBondContact OD1-N 3.24Å; D398-N400 PolarHBondContact OD1-ND2 2.86Å; D398-A401 HydrophobicContact CB-CB 3.94Å; D398-A401 PolarHBondContact O-N 3.49Å
399	E	49	Very low	54.1	Low	164 Å²	164	77.2 Å²	77.2	77%	0.766	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-22.1	175.6	-76.2	178.1	-173.9	0	0	112.9	Y397	Y397-E399 HydrophobicContact CD1-CG 4.02Å; Y397-E399 HydrophobicContact CE1-CG 3.52Å
400	N	50.9	Low	52.2	Low	143 Å²	143	73.6 Å²	73.6	77%	0.765	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-10	-177	-53.1	-64.4	0	0	0	113.9	D398 S402	D398-N400 PolarHBondContact O-N 3.3Å; D398-N400 VanDerWaalsContact O-N 3.1Å; D398-N400 WeakPolarHBondContact OD1-CB 3.26Å; D398-N400 PolarHBondContact OD1-N 3.24Å; D398-N400 PolarHBondContact OD1-ND2 2.86Å; N400-S402 PolarHBondContact O-N 3.28Å
401	A	48.6	Very low	50.2	Low	26 Å²	26	74.6 Å²	74.6	22%	0.215	39%	0.389	C	S	.	.			trans	-87.5	80.9	178	0	0	0	0	0	109.7	D398 D403	D398-A401 HydrophobicContact CB-CB 3.94Å; D398-A401 PolarHBondContact O-N 3.49Å; A401-D403 VanDerWaalsContact C-N 3.33Å; A401-D403 PolarHBondContact O-N 3.47Å
402	S	45.4	Very low	48	Very low	87 Å²	87	76 Å²	76	61%	0.608	40%	0.397	S	S	*	.			trans	-73.2	-16.7	-171.6	67.6	0	0	0	0	115.4	N400	N400-S402 PolarHBondContact O-N 3.28Å
403	D	39.3	Very low	46.1	Very low	136 Å²	136	80.3 Å²	80.3	73%	0.727	42%	0.42	S	S	*	.	S	Bend	trans	-125.5	-0.5	-159.7	-65.8	-1.2	0	0	0	115.8	A401 I405	A401-D403 VanDerWaalsContact C-N 3.33Å; A401-D403 PolarHBondContact O-N 3.47Å; D403-I405 PolarHBondContact O-N 2.88Å
404	D	41.4	Very low	44.4	Very low	98 Å²	98	79.7 Å²	79.7	52%	0.524	42%	0.423	S	S	.	.			trans	-87.5	108.9	174.3	-77.2	-24.2	0	0	0	110	E406 N407 I408	D404-E406 PolarHBondContact O-N 3.11Å; D404-N407 HydrophobicContact CB-CB 3.97Å; D404-N407 PolarHBondContact O-N 3.42Å; D404-N407 PolarHBondContact OD2-ND2 2.95Å; D404-I408 WeakPolarHBondContact O-CG1 3.43Å; D404-I408 PolarHBondContact O-N 3.45Å
405	I	41.6	Very low	42.9	Very low	125 Å²	125	83.8 Å²	83.8	64%	0.641	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-29	172.9	-66	168.9	0	0	0	111.4	D403	D403-I405 PolarHBondContact O-N 2.88Å
406	E	42.6	Very low	41.9	Very low	94 Å²	94	90 Å²	90	44%	0.439	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-35.4	173.9	-66.6	-167.1	-174.5	0	0	113.4	D404 H410	D404-E406 PolarHBondContact O-N 3.11Å; E406-H410 PolarHBondContact O-NE2 3.1Å
407	N	37.5	Very low	40.9	Very low	37 Å²	37	86.2 Å²	86.2	20%	0.198	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-25.5	-174.8	-85.6	-27.7	0	0	0	114.4	D404 G409 H410	D404-N407 HydrophobicContact CB-CB 3.97Å; D404-N407 PolarHBondContact O-N 3.42Å; D404-N407 PolarHBondContact OD2-ND2 2.95Å; N407-G409 VanDerWaalsContact C-N 3.34Å; N407-G409 PolarHBondContact O-N 3.43Å; N407-H410 PolarHBondContact O-CD2 2.91Å; N407-H410 VanDerWaalsContact O-CD2 3.27Å
408	I	35.4	Very low	40.3	Very low	52 Å²	52	90.3 Å²	90.3	27%	0.267	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-15.1	-168.9	-54.9	166.2	0	0	0	112.5	D404 H410 F426	D404-I408 WeakPolarHBondContact O-CG1 3.43Å; D404-I408 PolarHBondContact O-N 3.45Å; I408-H410 PolarHBondContact O-N 3.29Å; I408-F426 HydrophobicContact CB-CD1 4.34Å; I408-F426 HydrophobicContact CB-CE1 4.34Å; I408-F426 HydrophobicContact CG2-CD1 3.54Å; I408-F426 HydrophobicContact CG2-CD2 3.83Å; I408-F426 HydrophobicContact CG2-CE1 3.26Å; I408-F426 HydrophobicContact CG2-CE2 3.54Å; I408-F426 HydrophobicContact CG2-CG 3.83Å; I408-F426 HydrophobicContact CG2-CZ 3.26Å
409	G	40.3	Very low	39.5	Very low	4 Å²	4	91.1 Å²	91.1	4%	0.041	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	10.4	-175.9	0	0	0	0	0	117	N407 H428	N407-G409 VanDerWaalsContact C-N 3.34Å; N407-G409 PolarHBondContact O-N 3.43Å; G409-H428 WeakPolarHBondContact O-CA 3.14Å; G409-H428 PolarHBondContact O-ND1 2.94Å
410	H	42.4	Very low	38.8	Very low	18 Å²	18	88.5 Å²	88.5	8%	0.083	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-96.4	133	-169.7	-62.3	-55.7	0	0	0	114.9	P395 E406 N407 I408	P395-H410 WeakPolarHBondContact CB-NE2 3.48Å; P395-H410 WeakPolarHBondContact CD-CE1 3.39Å; P395-H410 WeakPolarHBondContact CD-NE2 3.45Å; P395-H410 VanDerWaalsContact CG-CE1 3.5Å; P395-H410 WeakPolarHBondContact CG-CE1 3.27Å; P395-H410 WeakPolarHBondContact CG-NE2 3.41Å; E406-H410 PolarHBondContact O-NE2 3.1Å; N407-H410 PolarHBondContact O-CD2 2.91Å; N407-H410 VanDerWaalsContact O-CD2 3.27Å; I408-H410 PolarHBondContact O-N 3.29Å
411	I	42.4	Very low	38.2	Very low	30 Å²	30	83.8 Å²	83.8	15%	0.154	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-94.2	118.6	164.2	-65.8	163.8	0	0	0	107.1	P421 L438 L482	I411-P421 HydrophobicContact CG1-CG 4.44Å; I411-P421 HydrophobicContact CG2-CG 3.99Å; I411-L438 HydrophobicContact CB-CD2 4.03Å; I411-L438 HydrophobicContact CD1-CD2 3.62Å; I411-L438 HydrophobicContact CG1-CD2 4.41Å; I411-L438 HydrophobicContact CG2-CD2 4.15Å; I411-L482 HydrophobicContact CD1-CD1 4.11Å
412	P	37.7	Very low	37.8	Very low	46 Å²	46	88.5 Å²	88.5	30%	0.299	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-61.8	137.2	175.8	-23.4	34.9	0	0	0	111.4	S414 I417	P412-S414 PolarHBondContact O-N 3.2Å; P412-I417 HydrophobicContact CB-CD1 4Å; P412-I417 HydrophobicContact CG-CD1 3.73Å
413	L	40	Very low	37.9	Very low	116 Å²	116	86.2 Å²	86.2	61%	0.607	47%	0.468	S	S	*	.	S	Bend	trans	-67.1	-2.2	177.9	-108.2	121.6	0	0	0	114.4	V394 T434	V394-L413 HydrophobicContact CG1-CD1 4.34Å; V394-L413 HydrophobicContact CG2-CD1 4.06Å; L413-T434 HydrophobicContact CD1-CG2 3.6Å
414	S	33.4	Very low	38.1	Very low	65 Å²	65	81.2 Å²	81.2	46%	0.455	44%	0.441	S	S	.	.			trans	-79.9	123.9	-176	179.8	0	0	0	0	111.4	P412 M416	P412-S414 PolarHBondContact O-N 3.2Å; S414-M416 PolarHBondContact O-N 3.19Å; S414-M416 WeakPolarHBondContact OG-CB 3.11Å; S414-M416 WeakPolarHBondContact OG-CG 3.31Å; S414-M416 PolarHBondContact OG-N 3.45Å; S414-M416 VanDerWaalsContact OG-N 3.12Å
415	S	33.5	Very low	38.5	Very low	126 Å²	126	82.3 Å²	82.3	88%	0.881	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	5.3	165.3	54.7	0	0	0	0	114.2
416	M	30.3	Very low	39.8	Very low	163 Å²	163	79.9 Å²	79.9	80%	0.803	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	4.8	-178.2	-64.3	-103.4	177.8	0	0	115	S414 K418	S414-M416 PolarHBondContact O-N 3.19Å; S414-M416 WeakPolarHBondContact OG-CB 3.11Å; S414-M416 WeakPolarHBondContact OG-CG 3.31Å; S414-M416 PolarHBondContact OG-N 3.45Å; S414-M416 VanDerWaalsContact OG-N 3.12Å; M416-K418 PolarHBondContact O-N 3.44Å
417	I	32.5	Very low	41.5	Very low	69 Å²	69	76 Å²	76	35%	0.354	41%	0.409	S	S	.	.			trans	-93.1	98.3	172.8	-36.2	-175.6	0	0	0	109.2	P412 T419 P421	P412-I417 HydrophobicContact CB-CD1 4Å; P412-I417 HydrophobicContact CG-CD1 3.73Å; I417-T419 WeakPolarHBondContact CG2-O 3.4Å; I417-T419 PolarHBondContact O-N 2.84Å; I417-T419 VanDerWaalsContact O-N 3.15Å; I417-P421 HydrophobicContact CD1-CB 4.39Å; I417-P421 HydrophobicContact CD1-CG 4.27Å
418	K	34	Very low	43.6	Very low	217 Å²	217	74.6 Å²	74.6	94%	0.943	40%	0.401	S	S	*	.	S	Bend	trans	-64.7	-5.3	171.5	-76.4	-175.6	176	179.2	0	113.6	M416	M416-K418 PolarHBondContact O-N 3.44Å
419	T	30.8	Very low	45.9	Very low	98 Å²	98	72.9 Å²	72.9	60%	0.601	39%	0.391	S	S	*	.	S	Bend	trans	-118.9	124.7	174.5	23.3	0	0	0	0	107.2	I417 P421	I417-T419 WeakPolarHBondContact CG2-O 3.4Å; I417-T419 PolarHBondContact O-N 2.84Å; I417-T419 VanDerWaalsContact O-N 3.15Å; T419-P421 VanDerWaalsContact O-CD 3.26Å; T419-P421 WeakPolarHBondContact O-CD 3.5Å
420	P	34	Very low	48.2	Very low	108 Å²	108	72.7 Å²	72.7	70%	0.701	39%	0.389	S	S	*	.			trans	-57.4	117.1	174.8	22.1	-28.8	0	0	0	107.2	L422	P420-L422 PolarHBondContact O-N 2.91Å
421	P	39.6	Very low	50.3	Low	45 Å²	45	71.9 Å²	71.9	29%	0.292	39%	0.386	S	S	.	.			trans	-54.7	138.3	178.6	21.6	-30.6	0	0	0	107.4	I411 I417 T419 K423	I411-P421 HydrophobicContact CG1-CG 4.44Å; I411-P421 HydrophobicContact CG2-CG 3.99Å; I417-P421 HydrophobicContact CD1-CB 4.39Å; I417-P421 HydrophobicContact CD1-CG 4.27Å; T419-P421 VanDerWaalsContact O-CD 3.26Å; T419-P421 WeakPolarHBondContact O-CD 3.5Å; P421-K423 VanDerWaalsContact C-N 3.32Å; P421-K423 PolarHBondContact O-N 3.19Å
422	L	40.5	Very low	52.3	Low	124 Å²	124	71.1 Å²	71.1	65%	0.649	39%	0.385	S	S	*	.			trans	-37.3	91.3	-175.9	-102.9	94.2	0	0	0	111.6	P420 L424	P420-L422 PolarHBondContact O-N 2.91Å; L422-L424 PolarHBondContact O-N 2.75Å; L422-L424 VanDerWaalsContact O-N 3.12Å
423	K	47.1	Very low	54.4	Low	40 Å²	40	72 Å²	72	17%	0.174	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.3	-178.5	-99.9	-176.4	177.1	178.2	0	113.5	P421 H428	P421-K423 VanDerWaalsContact C-N 3.32Å; P421-K423 PolarHBondContact O-N 3.19Å; K423-H428 PolarHBondContact O-NE2 2.87Å
424	L	43.5	Very low	56.5	Low	30 Å²	30	66.7 Å²	66.7	16%	0.157	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-7.1	-147	-75.2	158.6	0	0	0	115.8	L422 S470 Q474 N479	L422-L424 PolarHBondContact O-N 2.75Å; L422-L424 VanDerWaalsContact O-N 3.12Å; L424-S470 PolarHBondContact O-OG 3.39Å; L424-Q474 HydrophobicContact CB-CB 4.18Å; L424-Q474 HydrophobicContact CB-CG 3.8Å; L424-Q474 HydrophobicContact CD1-CG 4.47Å; L424-Q474 HydrophobicContact CD2-CB 4.08Å; L424-Q474 HydrophobicContact CD2-CG 4.34Å; L424-Q474 HydrophobicContact CG-CG 4.43Å; L424-Q474 PolarHBondContact O-OE1 3.2Å; L424-N479 HydrophobicContact CD1-CB 4.28Å; L424-N479 WeakPolarHBondContact CD1-OD1 3.39Å
425	K	50	Low	59.2	Low	122 Å²	122	63.7 Å²	63.7	53%	0.53	35%	0.348	S	S	.	.	S	Bend	trans	-99.4	-6	177.8	-84.9	-168.2	174.9	-173.3	0	115.2
426	F	68.7	Low	61.8	Low	74 Å²	74	62.3 Å²	62.3	33%	0.325	33%	0.326	S	S	.	.	S	Bend	trans	-141.2	147.5	-164.5	-53.4	-69.2	0	0	0	113.1	I408 H428	I408-F426 HydrophobicContact CB-CD1 4.34Å; I408-F426 HydrophobicContact CB-CE1 4.34Å; I408-F426 HydrophobicContact CG2-CD1 3.54Å; I408-F426 HydrophobicContact CG2-CD2 3.83Å; I408-F426 HydrophobicContact CG2-CE1 3.26Å; I408-F426 HydrophobicContact CG2-CE2 3.54Å; I408-F426 HydrophobicContact CG2-CG 3.83Å; I408-F426 HydrophobicContact CG2-CZ 3.26Å; F426-H428 PolarHBondContact O-CD2 2.82Å
427	I	78.5	Confident	64.5	Low	13 Å²	13	58.5 Å²	58.5	7%	0.067	31%	0.312	C	S	.	.			trans	-75.7	124.3	164.3	-50.5	171.6	0	0	0	107.1	H463 F466 T467 Y485	I427-H463 HydrophobicContact CD1-CB 4.37Å; I427-H463 VanDerWaalsContact CD1-O 3.27Å; I427-H463 WeakPolarHBondContact CD1-O 3.04Å; I427-F466 HydrophobicContact CD1-CB 3.37Å; I427-F466 HydrophobicContact CG1-CB 3.82Å; I427-F466 HydrophobicContact CG2-CD2 4.11Å; I427-T467 WeakPolarHBondContact CD1-OG1 3.38Å; I427-Y485 HydrophobicContact CB-CD1 4.43Å; I427-Y485 HydrophobicContact CG2-CD1 3.75Å
428	H	81.7	Confident	67.1	Low	6 Å²	6	55.9 Å²	55.9	3%	0.028	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	128	-177.7	-68.3	-82.2	0	0	0	111.8	G409 K423 F426 V430 L482 F483 G484 Y485	G409-H428 WeakPolarHBondContact O-CA 3.14Å; G409-H428 PolarHBondContact O-ND1 2.94Å; K423-H428 PolarHBondContact O-NE2 2.87Å; F426-H428 PolarHBondContact O-CD2 2.82Å; H428-V430 PolarHBondContact O-N 2.9Å; H428-L482 HydrophobicContact CB-CD1 4.41Å; H428-L482 WeakPolarHBondContact CD2-CD1 3.4Å; H428-F483 PolarHBondContact CD2-O 2.76Å; H428-F483 PolarHBondContact N-O 3.37Å; H428-G484 CarbonylContact O-C 3.44Å; H428-G484 WeakPolarHBondContact O-CA 3.4Å; H428-Y485 PolarHBondContact O-N 3.27Å
429	K	83.6	Confident	69.8	Low	16 Å²	16	45.6 Å²	45.6	7%	0.07	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	112.8	166	-173.2	175.7	-176.2	179.1	0	108.4	E392 V431 Y485	E392-K429 WeakPolarHBondContact OE2-CE 3.49Å; E392-K429 IonicContact OE2-NZ 3.35Å; E392-K429 PolarHBondContact OE2-NZ 2.88Å; K429-V431 HydrophobicContact CG-CG1 4.27Å; K429-Y485 HydrophobicContact CB-CE1 3.85Å; K429-Y485 HydrophobicContact CB-CE2 4.33Å; K429-Y485 HydrophobicContact CD-CE2 4.36Å; K429-Y485 HydrophobicContact CG-CE1 4.39Å; K429-Y485 HydrophobicContact CG-CE2 3.96Å
430	V	88	Confident	72.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.234	C	C	.	.			trans	-93.7	126.3	175.3	179.4	0	0	0	0	107.9	H428 F435 V439 Y485 S486	H428-V430 PolarHBondContact O-N 2.9Å; V430-F435 HydrophobicContact CG1-CB 4.31Å; V430-F435 HydrophobicContact CG1-CD2 3.73Å; V430-V439 HydrophobicContact CB-CG2 4.44Å; V430-V439 HydrophobicContact CG1-CG2 3.58Å; V430-V439 HydrophobicContact CG2-CG2 4.01Å; V430-Y485 PolarHBondContact N-O 2.97Å; V430-S486 VanDerWaalsContact O-CB 3.28Å; V430-S486 WeakPolarHBondContact O-CB 3.3Å; V430-S486 PolarHBondContact O-OG 3.46Å
431	V	86.7	Confident	75.2	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.012	21%	0.21	C	C	.	.			trans	-116.9	162.1	172.9	-53.9	0	0	0	0	110.1	S391 E392 V394 K429 A433 T434 F435 N491	S391-V431 WeakPolarHBondContact OG-CB 3.1Å; S391-V431 WeakPolarHBondContact OG-CG2 3.09Å; E392-V431 HydrophobicContact CB-CB 4.1Å; E392-V431 HydrophobicContact CB-CG1 3.66Å; V394-V431 HydrophobicContact CG2-CG2 3.55Å; K429-V431 HydrophobicContact CG-CG1 4.27Å; V431-A433 VanDerWaalsContact C-N 3.25Å; V431-A433 HydrophobicContact CG2-CB 4.4Å; V431-A433 PolarHBondContact O-N 3.09Å; V431-A433 VanDerWaalsContact O-N 3.17Å; V431-T434 HydrophobicContact CG2-CG2 4.09Å; V431-T434 WeakPolarHBondContact CG2-OG1 3.17Å; V431-T434 PolarHBondContact N-OG1 2.74Å; V431-T434 CarbonylContact O-C 3.53Å; V431-T434 PolarHBondContact O-N 2.81Å; V431-T434 PolarHBondContact O-OG1 3.45Å; V431-F435 PolarHBondContact O-N 2.87Å; V431-N491 WeakPolarHBondContact CA-OD1 3.47Å; V431-N491 WeakPolarHBondContact CB-OD1 3.45Å
432	G	85.2	Confident	77.7	Confident	14 Å²	14	40.9 Å²	40.9	14%	0.144	22%	0.218	C	C	.	.	H	α-helix	trans	-51.6	-41.8	-176.4	0	0	0	0	0	113.4	S391 T434 F435 N491 D492	S391-G432 PolarHBondContact OG-N 3.29Å; G432-T434 VanDerWaalsContact C-N 3.32Å; G432-T434 PolarHBondContact O-N 3.42Å; G432-F435 WeakPolarHBondContact O-CB 3.24Å; G432-F435 PolarHBondContact O-N 3.35Å; G432-N491 PolarHBondContact N-OD1 3.25Å; G432-D492 WeakPolarHBondContact CA-O 3.4Å
433	A	81.6	Confident	80.1	Confident	63 Å²	63	41.4 Å²	41.4	52%	0.521	22%	0.217	S	C	.	.	H	α-helix	trans	-66.5	-29.9	179.7	0	0	0	0	0	113.6	S391 V394 V431	S391-A433 VanDerWaalsContact CB-N 3.31Å; S391-A433 VanDerWaalsContact OG-CB 3.31Å; S391-A433 WeakPolarHBondContact OG-CB 2.99Å; S391-A433 PolarHBondContact OG-N 2.87Å; V394-A433 HydrophobicContact CG2-CB 4.36Å; V431-A433 VanDerWaalsContact C-N 3.25Å; V431-A433 HydrophobicContact CG2-CB 4.4Å; V431-A433 PolarHBondContact O-N 3.09Å; V431-A433 VanDerWaalsContact O-N 3.17Å
434	T	83.1	Confident	82.2	Confident	6 Å²	6	40.7 Å²	40.7	4%	0.037	21%	0.214	C	C	.	.	H	α-helix	trans	-96.9	-11.7	178.4	53.3	0	0	0	0	113.3	V394 L413 V431 G432 K436 T437 L438	V394-T434 HydrophobicContact CG1-CG2 4.23Å; V394-T434 HydrophobicContact CG2-CG2 3.57Å; L413-T434 HydrophobicContact CD1-CG2 3.6Å; V431-T434 HydrophobicContact CG2-CG2 4.09Å; V431-T434 WeakPolarHBondContact CG2-OG1 3.17Å; V431-T434 PolarHBondContact N-OG1 2.74Å; V431-T434 CarbonylContact O-C 3.53Å; V431-T434 PolarHBondContact O-N 2.81Å; V431-T434 PolarHBondContact O-OG1 3.45Å; G432-T434 VanDerWaalsContact C-N 3.32Å; G432-T434 PolarHBondContact O-N 3.42Å; T434-K436 PolarHBondContact O-N 3.02Å; T434-T437 PolarHBondContact O-N 2.56Å; T434-L438 HydrophobicContact CG2-CD1 4.3Å; T434-L438 WeakPolarHBondContact O-CB 3.47Å; T434-L438 PolarHBondContact O-N 2.89Å
435	F	89.7	Confident	84.7	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.009	21%	0.207	C	C	.	.	H	α-helix	trans	-54.4	-52.3	-167.9	-178.9	-97	0	0	0	111.9	V430 V431 G432 T437 V439 F450 Y493 L496 F507	V430-F435 HydrophobicContact CG1-CB 4.31Å; V430-F435 HydrophobicContact CG1-CD2 3.73Å; V431-F435 PolarHBondContact O-N 2.87Å; G432-F435 WeakPolarHBondContact O-CB 3.24Å; G432-F435 PolarHBondContact O-N 3.35Å; F435-T437 PolarHBondContact O-N 2.86Å; F435-V439 HydrophobicContact CD2-CB 4.11Å; F435-V439 HydrophobicContact CD2-CG2 3.69Å; F435-V439 HydrophobicContact CE2-CB 3.89Å; F435-V439 HydrophobicContact CE2-CG1 3.85Å; F435-V439 HydrophobicContact CE2-CG2 3.74Å; F435-V439 HydrophobicContact CG-CG2 4.38Å; F435-V439 HydrophobicContact CZ-CB 4.15Å; F435-V439 HydrophobicContact CZ-CG1 3.9Å; F435-V439 HydrophobicContact CZ-CG2 4.49Å; F435-V439 WeakPolarHBondContact O-CA 3.5Å; F435-V439 WeakPolarHBondContact O-CB 3.38Å; F435-V439 PolarHBondContact O-N 2.82Å; F435-F450 AromaticContact CE2-CE1 3.94Å; F435-F450 HydrophobicContact CE2-CE1 3.94Å; F435-F450 AromaticContact CE2-CZ 3.68Å; F435-F450 HydrophobicContact CE2-CZ 3.68Å; F435-F450 HydrophobicContact CZ-CZ 4.2Å; F435-Y493 HydrophobicContact CB-CD1 4Å; F435-Y493 HydrophobicContact CD1-CD1 4.35Å; F435-Y493 AromaticContact CD2-CD1 3.35Å; F435-Y493 HydrophobicContact CD2-CD1 3.35Å; F435-Y493 AromaticContact CD2-CE1 3.97Å; F435-Y493 HydrophobicContact CD2-CE1 3.97Å; F435-Y493 HydrophobicContact CD2-CG 4.15Å; F435-Y493 AromaticContact CE2-CD1 3.91Å; F435-Y493 HydrophobicContact CE2-CD1 3.91Å; F435-Y493 HydrophobicContact CE2-CG 4.36Å; F435-Y493 AromaticContact CG-CD1 3.63Å; F435-Y493 HydrophobicContact CG-CD1 3.63Å; F435-Y493 HydrophobicContact CG-CG 4.32Å; F435-L496 HydrophobicContact CE1-CB 4.41Å; F435-L496 HydrophobicContact CZ-CB 4.35Å; F435-L496 HydrophobicContact CZ-CD1 3.96Å; F435-F507 HydrophobicContact CE2-CZ 4.33Å; F435-F507 HydrophobicContact CZ-CE1 4.03Å; F435-F507 AromaticContact CZ-CZ 3.81Å; F435-F507 HydrophobicContact CZ-CZ 3.81Å
436	K	88.2	Confident	86.8	Confident	97 Å²	97	33.6 Å²	33.6	42%	0.422	18%	0.181	S	C	.	.	H	α-helix	trans	-60.8	-47.4	179.7	-167.9	174.1	-158.7	144.8	0	112.1	T434 K440 E494 E495	T434-K436 PolarHBondContact O-N 3.02Å; K436-K440 VanDerWaalsContact O-CB 3.31Å; K436-K440 WeakPolarHBondContact O-CB 3.42Å; K436-K440 PolarHBondContact O-N 3.37Å; K436-E494 IonicContact NZ-OE2 2.73Å; K436-E494 PolarHBondContact NZ-OE2 2.9Å; K436-E495 IonicContact NZ-OE1 2.74Å; K436-E495 PolarHBondContact NZ-OE1 2.86Å
437	T	86.9	Confident	88	Confident	83 Å²	83	30 Å²	30	51%	0.509	17%	0.166	S	C	.	.	H	α-helix	trans	-69.8	-35.2	-176	-53.2	0	0	0	0	113.1	T434 F435 N441	T434-T437 PolarHBondContact O-N 2.56Å; F435-T437 PolarHBondContact O-N 2.86Å; T437-N441 WeakPolarHBondContact O-CB 3.33Å; T437-N441 PolarHBondContact O-ND2 2.86Å
438	L	87.3	Confident	88.8	Confident	14 Å²	14	29.4 Å²	29.4	7%	0.073	16%	0.163	C	C	.	.	H	α-helix	trans	-91.1	-49.5	-177.7	-65.8	-175.4	0	0	0	112.5	I411 T434 W444 S446 L482	I411-L438 HydrophobicContact CB-CD2 4.03Å; I411-L438 HydrophobicContact CD1-CD2 3.62Å; I411-L438 HydrophobicContact CG1-CD2 4.41Å; I411-L438 HydrophobicContact CG2-CD2 4.15Å; T434-L438 HydrophobicContact CG2-CD1 4.3Å; T434-L438 WeakPolarHBondContact O-CB 3.47Å; T434-L438 PolarHBondContact O-N 2.89Å; L438-W444 HydrophobicContact CD2-CZ2 4.46Å; L438-W444 PolarHBondContact O-NE1 2.68Å; L438-S446 PolarHBondContact O-OG 3.43Å; L438-L482 HydrophobicContact CB-CD2 4.26Å
439	V	91.6	Very high	89.3	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-83	-36.6	-170.7	-178.5	0	0	0	0	111.9	V430 F435 N441 S446 V448 F507	V430-V439 HydrophobicContact CB-CG2 4.44Å; V430-V439 HydrophobicContact CG1-CG2 3.58Å; V430-V439 HydrophobicContact CG2-CG2 4.01Å; F435-V439 HydrophobicContact CD2-CB 4.11Å; F435-V439 HydrophobicContact CD2-CG2 3.69Å; F435-V439 HydrophobicContact CE2-CB 3.89Å; F435-V439 HydrophobicContact CE2-CG1 3.85Å; F435-V439 HydrophobicContact CE2-CG2 3.74Å; F435-V439 HydrophobicContact CG-CG2 4.38Å; F435-V439 HydrophobicContact CZ-CB 4.15Å; F435-V439 HydrophobicContact CZ-CG1 3.9Å; F435-V439 HydrophobicContact CZ-CG2 4.49Å; F435-V439 WeakPolarHBondContact O-CA 3.5Å; F435-V439 WeakPolarHBondContact O-CB 3.38Å; F435-V439 PolarHBondContact O-N 2.82Å; V439-N441 VanDerWaalsContact C-N 3.32Å; V439-S446 WeakPolarHBondContact CA-OG 3.47Å; V439-S446 WeakPolarHBondContact O-CB 3.2Å; V439-S446 PolarHBondContact O-OG 2.71Å; V439-V448 HydrophobicContact CB-CG2 4.41Å; V439-V448 HydrophobicContact CG1-CG2 3.78Å; V439-V448 HydrophobicContact CG2-CG2 3.74Å; V439-F507 HydrophobicContact CG1-CB 4.11Å; V439-F507 HydrophobicContact CG1-CD1 3.83Å; V439-F507 HydrophobicContact CG1-CD2 3.22Å; V439-F507 HydrophobicContact CG1-CE1 3.96Å; V439-F507 HydrophobicContact CG1-CE2 3.39Å; V439-F507 HydrophobicContact CG1-CG 3.44Å; V439-F507 VanDerWaalsContact CG1-CG 3.44Å; V439-F507 HydrophobicContact CG1-CZ 3.74Å
440	K	88.9	Confident	89.6	Confident	45 Å²	45	28.4 Å²	28.4	20%	0.196	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	21.6	179.5	-61.2	-70.5	-169.1	165.1	0	112.9	K436 F507 Q514	K436-K440 VanDerWaalsContact O-CB 3.31Å; K436-K440 WeakPolarHBondContact O-CB 3.42Å; K436-K440 PolarHBondContact O-N 3.37Å; K440-F507 HydrophobicContact CD-CD1 4.04Å; K440-Q514 VanDerWaalsContact NZ-CG 3.33Å; K440-Q514 VanDerWaalsContact NZ-NE2 3.1Å
441	N	89.6	Confident	89.6	Confident	35 Å²	35	28.5 Å²	28.5	19%	0.187	16%	0.159	C	C	.	.			trans	-70.6	126.9	177.5	-162.2	-59.9	0	0	0	110.3	T437 V439 E443 W444	T437-N441 WeakPolarHBondContact O-CB 3.33Å; T437-N441 PolarHBondContact O-ND2 2.86Å; V439-N441 VanDerWaalsContact C-N 3.32Å; N441-E443 PolarHBondContact O-N 3.09Å; N441-E443 VanDerWaalsContact OD1-CB 3.22Å; N441-E443 WeakPolarHBondContact OD1-CB 3.27Å; N441-E443 WeakPolarHBondContact OD1-CG 3.28Å; N441-E443 PolarHBondContact OD1-N 3.36Å; N441-W444 HydrophobicContact CB-CD2 3.81Å; N441-W444 HydrophobicContact CB-CE3 4.13Å; N441-W444 HydrophobicContact CB-CG 4.47Å; N441-W444 HydrophobicContact CB-CH2 3.97Å; N441-W444 HydrophobicContact CB-CZ2 3.49Å; N441-W444 VanDerWaalsContact CB-CZ2 3.49Å; N441-W444 HydrophobicContact CB-CZ3 4.24Å; N441-W444 VanDerWaalsContact CG-CH2 3.5Å; N441-W444 WeakPolarHBondContact ND2-CH2 3.4Å; N441-W444 VanDerWaalsContact O-O 3.09Å
442	P	91.3	Very high	89.5	Confident	72 Å²	72	28.4 Å²	28.4	47%	0.468	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.8	-178.9	29	-36	0	0	0	113.9	Q510	P442-Q510 WeakPolarHBondContact O-CG 3.32Å; P442-Q510 PolarHBondContact O-N 3.24Å
443	E	90.6	Very high	88.9	Confident	134 Å²	134	33.5 Å²	33.5	63%	0.626	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-11	-176.3	-61.8	-64.8	126.6	0	0	113.8	N441	N441-E443 PolarHBondContact O-N 3.09Å; N441-E443 VanDerWaalsContact OD1-CB 3.22Å; N441-E443 WeakPolarHBondContact OD1-CB 3.27Å; N441-E443 WeakPolarHBondContact OD1-CG 3.28Å; N441-E443 PolarHBondContact OD1-N 3.36Å
444	W	92.6	Very high	88.6	Confident	26 Å²	26	39.1 Å²	39.1	10%	0.098	18%	0.184	C	C	.	.	S	Bend	trans	-152.6	154.5	-179.3	57.1	77.2	0	0	0	113.2	L438 N441 S446 D480 L482 K509	L438-W444 HydrophobicContact CD2-CZ2 4.46Å; L438-W444 PolarHBondContact O-NE1 2.68Å; N441-W444 HydrophobicContact CB-CD2 3.81Å; N441-W444 HydrophobicContact CB-CE3 4.13Å; N441-W444 HydrophobicContact CB-CG 4.47Å; N441-W444 HydrophobicContact CB-CH2 3.97Å; N441-W444 HydrophobicContact CB-CZ2 3.49Å; N441-W444 VanDerWaalsContact CB-CZ2 3.49Å; N441-W444 HydrophobicContact CB-CZ3 4.24Å; N441-W444 VanDerWaalsContact CG-CH2 3.5Å; N441-W444 WeakPolarHBondContact ND2-CH2 3.4Å; N441-W444 VanDerWaalsContact O-O 3.09Å; W444-S446 VanDerWaalsContact CD1-OG 3.24Å; W444-S446 PolarHBondContact NE1-OG 3.07Å; W444-D480 CarbonylContact C-O 3.59Å; W444-D480 VanDerWaalsContact CA-O 3.23Å; W444-D480 WeakPolarHBondContact CA-O 3.18Å; W444-D480 VanDerWaalsContact CB-O 3.26Å; W444-D480 WeakPolarHBondContact CB-O 3.42Å; W444-L482 VanDerWaalsContact CD1-CB 3.49Å; W444-L482 HydrophobicContact CG-CB 4.25Å; W444-K509 VanDerWaalsContact C-CB 3.47Å
445	T	94.5	Very high	88.2	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.8	171.4	-66.2	0	0	0	0	108.4	D480 L481 L482 I506 F507 K509 E534	T445-D480 PolarHBondContact N-O 3.07Å; T445-L481 HydrophobicContact CG2-CD2 3.88Å; T445-L481 CarbonylContact O-C 3.4Å; T445-L481 WeakPolarHBondContact O-CA 3.43Å; T445-L482 PolarHBondContact O-N 2.98Å; T445-I506 HydrophobicContact CG2-CD1 3.59Å; T445-I506 HydrophobicContact CG2-CG1 3.54Å; T445-F507 CarbonylContact C-O 3.49Å; T445-F507 VanDerWaalsContact CA-O 3.32Å; T445-F507 WeakPolarHBondContact CA-O 3.49Å; T445-K509 PolarHBondContact OG1-N 3.28Å; T445-K509 VanDerWaalsContact OG1-N 3.12Å; T445-E534 PolarHBondContact OG1-OE1 3.37Å
446	S	94.6	Very high	87.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.1	-179.9	-55	0	0	0	0	111.1	L438 V439 W444 L482 I506 F507	L438-S446 PolarHBondContact O-OG 3.43Å; V439-S446 WeakPolarHBondContact CA-OG 3.47Å; V439-S446 WeakPolarHBondContact O-CB 3.2Å; V439-S446 PolarHBondContact O-OG 2.71Å; W444-S446 VanDerWaalsContact CD1-OG 3.24Å; W444-S446 PolarHBondContact NE1-OG 3.07Å; S446-L482 CarbonylContact C-O 3.59Å; S446-L482 WeakPolarHBondContact CA-O 3.21Å; S446-I506 CarbonylContact O-C 3.5Å; S446-I506 VanDerWaalsContact O-CA 3.3Å; S446-I506 WeakPolarHBondContact O-CA 3.26Å; S446-F507 PolarHBondContact N-O 2.83Å; S446-F507 PolarHBondContact O-N 3.35Å
447	V	95	Very high	86.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	107.7	173.4	-171.5	0	0	0	0	107.3	F466 L482 F483 G484 I504 I506 I530	V447-F466 HydrophobicContact CG1-CE1 4.33Å; V447-F466 HydrophobicContact CG1-CE2 4.26Å; V447-F466 HydrophobicContact CG1-CZ 3.7Å; V447-F466 WeakPolarHBondContact O-CE2 3.12Å; V447-L482 PolarHBondContact N-O 2.89Å; V447-F483 HydrophobicContact CB-CD1 3.97Å; V447-F483 HydrophobicContact CB-CE1 4.05Å; V447-F483 HydrophobicContact CG1-CD1 4.35Å; V447-F483 HydrophobicContact CG1-CE1 4.31Å; V447-F483 HydrophobicContact CG2-CD1 4.49Å; V447-F483 HydrophobicContact CG2-CE1 4.13Å; V447-F483 WeakPolarHBondContact O-CA 3.48Å; V447-G484 PolarHBondContact O-N 3.44Å; V447-I504 HydrophobicContact CG1-CG2 3.81Å; V447-I506 HydrophobicContact CG2-CD1 3.96Å; V447-I506 HydrophobicContact CG2-CG1 4Å; V447-I530 HydrophobicContact CG2-CD1 3.93Å; V447-I530 HydrophobicContact CG2-CG1 3.91Å
448	V	94	Very high	85.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.4	-171.7	-173.9	0	0	0	0	110.4	V439 F450 G484 I504 K505 F507	V439-V448 HydrophobicContact CB-CG2 4.41Å; V439-V448 HydrophobicContact CG1-CG2 3.78Å; V439-V448 HydrophobicContact CG2-CG2 3.74Å; V448-F450 HydrophobicContact CB-CE2 3.98Å; V448-F450 HydrophobicContact CB-CZ 4.3Å; V448-F450 HydrophobicContact CG1-CD2 4.22Å; V448-F450 HydrophobicContact CG1-CE1 4.24Å; V448-F450 HydrophobicContact CG1-CE2 3.88Å; V448-F450 HydrophobicContact CG1-CZ 3.91Å; V448-G484 CarbonylContact C-O 3.4Å; V448-G484 VanDerWaalsContact CA-O 3.31Å; V448-G484 WeakPolarHBondContact CA-O 3.42Å; V448-I504 WeakPolarHBondContact O-CA 3.41Å; V448-K505 PolarHBondContact N-O 3.28Å; V448-K505 PolarHBondContact O-N 3.03Å; V448-F507 HydrophobicContact CB-CE2 4.15Å; V448-F507 HydrophobicContact CG2-CD2 4.21Å; V448-F507 HydrophobicContact CG2-CE2 4.01Å
449	Y	92.1	Very high	84.9	Confident	1 Å²	1	43.5 Å²	43.5	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	111.5	169.6	-177.5	-119.9	0	0	0	111.2	T451 C458 I462 G484 Y485 S486 P502 I504	Y449-T451 HydrophobicContact CD1-CG2 4Å; Y449-T451 HydrophobicContact CE1-CG2 3.89Å; Y449-C458 WeakPolarHBondContact OH-CB 2.95Å; Y449-I462 HydrophobicContact CD1-CB 4.04Å; Y449-I462 HydrophobicContact CD1-CG1 3.76Å; Y449-I462 HydrophobicContact CD1-CG2 3.33Å; Y449-I462 HydrophobicContact CD2-CD1 4.35Å; Y449-I462 HydrophobicContact CD2-CG1 3.8Å; Y449-I462 HydrophobicContact CE1-CB 3.96Å; Y449-I462 HydrophobicContact CE1-CG1 4.09Å; Y449-I462 HydrophobicContact CE1-CG2 3.24Å; Y449-I462 HydrophobicContact CE2-CG1 4.09Å; Y449-I462 HydrophobicContact CG-CB 4.35Å; Y449-I462 HydrophobicContact CG-CG1 3.58Å; Y449-I462 HydrophobicContact CG-CG2 4.09Å; Y449-G484 PolarHBondContact N-O 2.9Å; Y449-Y485 CarbonylContact O-C 3.53Å; Y449-Y485 VanDerWaalsContact O-CA 3.26Å; Y449-Y485 WeakPolarHBondContact O-CA 3.3Å; Y449-S486 PolarHBondContact O-N 3.26Å; Y449-P502 HydrophobicContact CE2-CB 4.43Å; Y449-I504 HydrophobicContact CD2-CG1 3.55Å; Y449-I504 HydrophobicContact CE2-CG1 4.21Å; Y449-I504 HydrophobicContact CG-CG1 4.44Å
450	F	91.2	Very high	84.1	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	118.5	175	-64.5	-88.2	0	0	0	109.6	F435 V448 S486 Y493 L496 M501 P502 R503 K505 F507	F435-F450 AromaticContact CE2-CE1 3.94Å; F435-F450 HydrophobicContact CE2-CE1 3.94Å; F435-F450 AromaticContact CE2-CZ 3.68Å; F435-F450 HydrophobicContact CE2-CZ 3.68Å; F435-F450 HydrophobicContact CZ-CZ 4.2Å; V448-F450 HydrophobicContact CB-CE2 3.98Å; V448-F450 HydrophobicContact CB-CZ 4.3Å; V448-F450 HydrophobicContact CG1-CD2 4.22Å; V448-F450 HydrophobicContact CG1-CE1 4.24Å; V448-F450 HydrophobicContact CG1-CE2 3.88Å; V448-F450 HydrophobicContact CG1-CZ 3.91Å; F450-S486 WeakPolarHBondContact CA-O 3.34Å; F450-Y493 HydrophobicContact CD1-CE1 4.42Å; F450-Y493 AromaticContact CD1-CE2 3.88Å; F450-Y493 HydrophobicContact CD1-CE2 3.88Å; F450-Y493 AromaticContact CD1-CZ 3.78Å; F450-Y493 HydrophobicContact CE1-CD1 4.25Å; F450-Y493 HydrophobicContact CE1-CD2 4.14Å; F450-Y493 AromaticContact CE1-CE1 3.94Å; F450-Y493 HydrophobicContact CE1-CE1 3.94Å; F450-Y493 AromaticContact CE1-CE2 3.83Å; F450-Y493 HydrophobicContact CE1-CE2 3.83Å; F450-Y493 HydrophobicContact CE1-CG 4.33Å; F450-Y493 AromaticContact CE1-CZ 3.7Å; F450-L496 HydrophobicContact CD1-CD2 4.25Å; F450-L496 HydrophobicContact CE1-CD1 4.31Å; F450-L496 HydrophobicContact CE1-CD2 3.62Å; F450-L496 HydrophobicContact CE2-CD1 4.13Å; F450-L496 HydrophobicContact CZ-CD1 3.63Å; F450-L496 HydrophobicContact CZ-CD2 3.79Å; F450-L496 HydrophobicContact CZ-CG 4.4Å; F450-M501 HydrophobicContact CB-CE 3.42Å; F450-M501 VanDerWaalsContact CB-CE 3.42Å; F450-M501 HydrophobicContact CB-SD 3.3Å; F450-M501 WeakPolarHBondContact CB-SD 3.27Å; F450-M501 HydrophobicContact CD1-CE 3.81Å; F450-M501 HydrophobicContact CD2-CE 4.15Å; F450-M501 HydrophobicContact CG-CE 3.53Å; F450-M501 HydrophobicContact CG-SD 4.06Å; F450-P502 CarbonylContact O-C 3.48Å; F450-P502 WeakPolarHBondContact O-CA 3.27Å; F450-P502 WeakPolarHBondContact O-CB 3.31Å; F450-R503 PolarHBondContact N-O 3.17Å; F450-R503 PolarHBondContact O-N 3.47Å; F450-K505 HydrophobicContact CD2-CB 4.37Å; F450-K505 HydrophobicContact CE2-CB 3.98Å; F450-K505 HydrophobicContact CE2-CD 4.31Å; F450-F507 HydrophobicContact CE2-CE2 4.15Å; F450-F507 HydrophobicContact CE2-CZ 4.17Å; F450-F507 HydrophobicContact CZ-CE2 4.32Å; F450-F507 HydrophobicContact CZ-CZ 4.09Å
451	T	88.1	Confident	83.6	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	176.7	-174.9	-166.6	0	0	0	0	112.2	Y449 N459 S486 Y487 F488	Y449-T451 HydrophobicContact CD1-CG2 4Å; Y449-T451 HydrophobicContact CE1-CG2 3.89Å; T451-N459 VanDerWaalsContact CB-OD1 3.29Å; T451-N459 WeakPolarHBondContact CB-OD1 3.36Å; T451-N459 WeakPolarHBondContact CG2-OD1 3Å; T451-N459 PolarHBondContact OG1-OD1 2.83Å; T451-S486 PolarHBondContact N-O 2.98Å; T451-Y487 HydrophobicContact CG2-CD1 3.78Å; T451-Y487 HydrophobicContact CG2-CE1 3.9Å; T451-Y487 CarbonylContact O-C 3.57Å; T451-Y487 WeakPolarHBondContact O-CA 3.24Å; T451-F488 WeakPolarHBondContact O-CD1 3.32Å; T451-F488 WeakPolarHBondContact O-CE1 3.33Å; T451-F488 PolarHBondContact O-N 3.39Å
452	A	83.2	Confident	83.3	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.008	26%	0.257	C	S	.	.			trans	-111.3	150.4	170.1	0	0	0	0	0	111.1	W454 C455 N459 F488 D489	A452-W454 HydrophobicContact CB-CD2 3.89Å; A452-W454 HydrophobicContact CB-CG 4.1Å; A452-W454 HydrophobicContact CB-CZ2 3.72Å; A452-W454 PolarHBondContact O-N 3.42Å; A452-W454 VanDerWaalsContact O-N 3.15Å; A452-C455 PolarHBondContact O-N 2.88Å; A452-C455 VanDerWaalsContact O-N 3.08Å; A452-N459 PolarHBondContact O-ND2 2.81Å; A452-F488 HydrophobicContact CB-CD1 4.44Å; A452-F488 HydrophobicContact CB-CE1 3.65Å; A452-F488 HydrophobicContact CB-CZ 3.75Å; A452-D489 WeakPolarHBondContact CA-OD1 3.44Å
453	K	73.6	Confident	82.9	Confident	121 Å²	121	51.5 Å²	51.5	53%	0.526	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.9	178.7	-170.7	169.6	-176.4	168.9	0	112.4	Y487 D489 L490	K453-Y487 HydrophobicContact CB-CD1 4.19Å; K453-Y487 HydrophobicContact CB-CE1 4.25Å; K453-Y487 HydrophobicContact CB-CG 4.45Å; K453-D489 PolarHBondContact N-OD1 2.81Å; K453-L490 HydrophobicContact CD-CD1 4.44Å
454	W	73.7	Confident	82.6	Confident	180 Å²	180	49.2 Å²	49.2	68%	0.682	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.5	-179.6	54.1	-97.8	0	0	0	114.8	A452 M456	A452-W454 HydrophobicContact CB-CD2 3.89Å; A452-W454 HydrophobicContact CB-CG 4.1Å; A452-W454 HydrophobicContact CB-CZ2 3.72Å; A452-W454 PolarHBondContact O-N 3.42Å; A452-W454 VanDerWaalsContact O-N 3.15Å; W454-M456 VanDerWaalsContact C-N 3.33Å; W454-M456 PolarHBondContact O-N 3.38Å
455	C	76.1	Confident	82.5	Confident	23 Å²	23	48.5 Å²	48.5	16%	0.155	24%	0.237	C	C	.	.			trans	-84.1	73.7	174.2	-164.2	0	0	0	0	112	A452 G457 C458 N459	A452-C455 PolarHBondContact O-N 2.88Å; A452-C455 VanDerWaalsContact O-N 3.08Å; C455-G457 VanDerWaalsContact C-N 3.32Å; C455-G457 PolarHBondContact O-N 3.31Å; C455-C458 HydrophobicContact CB-CB 3.86Å; C455-C458 WeakPolarHBondContact CB-SG 3.41Å; C455-C458 PolarHBondContact O-N 3.5Å; C455-C458 WeakPolarHBondContact SG-CB 3.47Å; C455-C458 PolarHBondContact SG-N 3.06Å; C455-C458 VanDerWaalsContact SG-N 3.36Å; C455-C458 CovalentContact SG-SG 2.04Å; C455-C458 PolarHBondContact SG-SG 2.97Å; C455-N459 WeakPolarHBondContact O-CB 3.33Å; C455-N459 PolarHBondContact O-N 3.18Å; C455-N459 PolarHBondContact O-ND2 2.89Å; C455-N459 PolarHBondContact O-OD1 2.89Å
456	M	67.9	Low	82.3	Confident	156 Å²	156	48.5 Å²	48.5	77%	0.768	24%	0.237	S	C	*	.	H	α-helix	trans	-57	-42.8	-179.1	-63.2	-173.4	-62.2	0	0	113.1	W454 R460	W454-M456 VanDerWaalsContact C-N 3.33Å; W454-M456 PolarHBondContact O-N 3.38Å; M456-R460 PolarHBondContact O-N 2.89Å; M456-R460 VanDerWaalsContact O-N 3.16Å
457	G	68.5	Low	82	Confident	53 Å²	53	50.3 Å²	50.3	55%	0.546	25%	0.248	S	C	.	.	H	α-helix	trans	-65.6	-44.4	-179.9	0	0	0	0	0	112.9	C455 T461	C455-G457 VanDerWaalsContact C-N 3.32Å; C455-G457 PolarHBondContact O-N 3.31Å; G457-T461 PolarHBondContact O-N 3.17Å; G457-T461 PolarHBondContact O-OG1 3.46Å
458	C	73.1	Confident	81.8	Confident	31 Å²	31	54.9 Å²	54.9	21%	0.209	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-46.7	177	-37.4	0	0	0	0	111	Y449 C455 R460 T461 I462	Y449-C458 WeakPolarHBondContact OH-CB 2.95Å; C455-C458 HydrophobicContact CB-CB 3.86Å; C455-C458 WeakPolarHBondContact CB-SG 3.41Å; C455-C458 PolarHBondContact O-N 3.5Å; C455-C458 WeakPolarHBondContact SG-CB 3.47Å; C455-C458 PolarHBondContact SG-N 3.06Å; C455-C458 VanDerWaalsContact SG-N 3.36Å; C455-C458 CovalentContact SG-SG 2.04Å; C455-C458 PolarHBondContact SG-SG 2.97Å; C458-R460 VanDerWaalsContact C-N 3.31Å; C458-R460 PolarHBondContact O-N 2.87Å; C458-T461 PolarHBondContact O-N 2.82Å; C458-I462 WeakPolarHBondContact O-CG2 3.35Å; C458-I462 PolarHBondContact O-N 2.87Å; C458-I462 VanDerWaalsContact O-N 3.15Å
459	N	72.2	Confident	81.7	Confident	31 Å²	31	54.9 Å²	54.9	17%	0.166	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-36.6	-176	-68.3	-12.2	0	0	0	112.8	T451 A452 C455 I462 H463	T451-N459 VanDerWaalsContact CB-OD1 3.29Å; T451-N459 WeakPolarHBondContact CB-OD1 3.36Å; T451-N459 WeakPolarHBondContact CG2-OD1 3Å; T451-N459 PolarHBondContact OG1-OD1 2.83Å; A452-N459 PolarHBondContact O-ND2 2.81Å; C455-N459 WeakPolarHBondContact O-CB 3.33Å; C455-N459 PolarHBondContact O-N 3.18Å; C455-N459 PolarHBondContact O-ND2 2.89Å; C455-N459 PolarHBondContact O-OD1 2.89Å; N459-I462 WeakPolarHBondContact O-CG2 3.41Å; N459-H463 WeakPolarHBondContact O-CB 3.4Å; N459-H463 PolarHBondContact O-N 2.81Å
460	R	75.4	Confident	81.6	Confident	179 Å²	179	55.1 Å²	55.1	68%	0.675	27%	0.27	S	S	*	.	H	α-helix	trans	-70	-54.2	179.5	-176.6	178.2	176.8	171.2	2.7	111.8	M456 C458 I462 H463 E464	M456-R460 PolarHBondContact O-N 2.89Å; M456-R460 VanDerWaalsContact O-N 3.16Å; C458-R460 VanDerWaalsContact C-N 3.31Å; C458-R460 PolarHBondContact O-N 2.87Å; R460-I462 PolarHBondContact O-N 3.19Å; R460-H463 PolarHBondContact O-N 3.41Å; R460-E464 WeakPolarHBondContact CG-OE1 3.38Å; R460-E464 IonicContact CZ-OE1 3.35Å; R460-E464 IonicContact NE-OE1 2.66Å; R460-E464 PolarHBondContact NE-OE1 2.7Å; R460-E464 VanDerWaalsContact NE-OE1 3.12Å; R460-E464 IonicContact NH2-OE1 2.9Å; R460-E464 WeakPolarHBondContact O-CG 3.31Å; R460-E464 PolarHBondContact O-N 3.01Å; R460-E464 VanDerWaalsContact O-N 3.09Å
461	T	78.7	Confident	81.5	Confident	69 Å²	69	59.7 Å²	59.7	42%	0.423	29%	0.291	S	S	.	.	H	α-helix	trans	-57.7	-50.6	-176.5	-56.2	0	0	0	0	110.8	G457 C458 H463 E464 E465	G457-T461 PolarHBondContact O-N 3.17Å; G457-T461 PolarHBondContact O-OG1 3.46Å; C458-T461 PolarHBondContact O-N 2.82Å; T461-H463 VanDerWaalsContact C-N 3.32Å; T461-H463 PolarHBondContact O-N 2.95Å; T461-E464 PolarHBondContact O-N 2.92Å; T461-E465 WeakPolarHBondContact O-CG 3.42Å; T461-E465 PolarHBondContact O-N 3.29Å
462	I	83.5	Confident	81.7	Confident	6 Å²	6	62.6 Å²	62.6	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-67.6	-33.1	-177	-164.2	61.5	0	0	0	113.1	Y449 C458 N459 R460 E464 E465 F466 I504 E521 I526	Y449-I462 HydrophobicContact CD1-CB 4.04Å; Y449-I462 HydrophobicContact CD1-CG1 3.76Å; Y449-I462 HydrophobicContact CD1-CG2 3.33Å; Y449-I462 HydrophobicContact CD2-CD1 4.35Å; Y449-I462 HydrophobicContact CD2-CG1 3.8Å; Y449-I462 HydrophobicContact CE1-CB 3.96Å; Y449-I462 HydrophobicContact CE1-CG1 4.09Å; Y449-I462 HydrophobicContact CE1-CG2 3.24Å; Y449-I462 HydrophobicContact CE2-CG1 4.09Å; Y449-I462 HydrophobicContact CG-CB 4.35Å; Y449-I462 HydrophobicContact CG-CG1 3.58Å; Y449-I462 HydrophobicContact CG-CG2 4.09Å; C458-I462 WeakPolarHBondContact O-CG2 3.35Å; C458-I462 PolarHBondContact O-N 2.87Å; C458-I462 VanDerWaalsContact O-N 3.15Å; N459-I462 WeakPolarHBondContact O-CG2 3.41Å; R460-I462 PolarHBondContact O-N 3.19Å; I462-E464 VanDerWaalsContact C-N 3.34Å; I462-E465 PolarHBondContact O-N 3.42Å; I462-F466 HydrophobicContact CD1-CD1 3.73Å; I462-F466 HydrophobicContact CD1-CE1 3.61Å; I462-F466 HydrophobicContact CD1-CZ 4.39Å; I462-F466 HydrophobicContact CG1-CD1 4.04Å; I462-F466 HydrophobicContact CG1-CE1 4.09Å; I462-F466 HydrophobicContact CG1-CG 4.47Å; I462-F466 VanDerWaalsContact O-CB 3.31Å; I462-F466 WeakPolarHBondContact O-CB 2.96Å; I462-F466 PolarHBondContact O-N 2.89Å; I462-I504 HydrophobicContact CD1-CD1 3.56Å; I462-I504 HydrophobicContact CD1-CG1 4.04Å; I462-E521 HydrophobicContact CD1-CB 4.35Å; I462-I526 HydrophobicContact CD1-CD1 4.15Å
463	H	81.9	Confident	82.2	Confident	67 Å²	67	62.8 Å²	62.8	31%	0.31	30%	0.303	S	S	.	.	H	α-helix	trans	-66	-41.1	176.8	-177.5	-73.3	0	0	0	110.3	I427 N459 R460 T461 T467	I427-H463 HydrophobicContact CD1-CB 4.37Å; I427-H463 VanDerWaalsContact CD1-O 3.27Å; I427-H463 WeakPolarHBondContact CD1-O 3.04Å; N459-H463 WeakPolarHBondContact O-CB 3.4Å; N459-H463 PolarHBondContact O-N 2.81Å; R460-H463 PolarHBondContact O-N 3.41Å; T461-H463 VanDerWaalsContact C-N 3.32Å; T461-H463 PolarHBondContact O-N 2.95Å; H463-T467 VanDerWaalsContact O-CB 3.27Å; H463-T467 WeakPolarHBondContact O-CB 3.42Å; H463-T467 PolarHBondContact O-N 2.87Å; H463-T467 PolarHBondContact O-OG1 2.95Å
464	E	85.5	Confident	82.7	Confident	86 Å²	86	59.9 Å²	59.9	40%	0.402	29%	0.291	S	S	.	.	H	α-helix	trans	-61.9	-46.1	174.3	-68.9	174.7	-166.3	0	0	111.1	R460 T461 I462 T467 K468	R460-E464 WeakPolarHBondContact CG-OE1 3.38Å; R460-E464 IonicContact CZ-OE1 3.35Å; R460-E464 IonicContact NE-OE1 2.66Å; R460-E464 PolarHBondContact NE-OE1 2.7Å; R460-E464 VanDerWaalsContact NE-OE1 3.12Å; R460-E464 IonicContact NH2-OE1 2.9Å; R460-E464 WeakPolarHBondContact O-CG 3.31Å; R460-E464 PolarHBondContact O-N 3.01Å; R460-E464 VanDerWaalsContact O-N 3.09Å; T461-E464 PolarHBondContact O-N 2.92Å; I462-E464 VanDerWaalsContact C-N 3.34Å; E464-T467 PolarHBondContact O-N 2.76Å; E464-K468 WeakPolarHBondContact O-CG 3.34Å; E464-K468 PolarHBondContact O-N 3.24Å; E464-K468 VanDerWaalsContact O-N 3.17Å
465	E	90.2	Very high	83.4	Confident	11 Å²	11	58.6 Å²	58.6	5%	0.051	29%	0.293	C	S	.	.	H	α-helix	trans	-71.5	-42.4	-177.8	-60.7	-58.6	102.6	0	0	113.3	T461 I462 T467 K468 L469 H522 F523	T461-E465 WeakPolarHBondContact O-CG 3.42Å; T461-E465 PolarHBondContact O-N 3.29Å; I462-E465 PolarHBondContact O-N 3.42Å; E465-T467 VanDerWaalsContact C-N 3.29Å; E465-T467 PolarHBondContact O-N 2.72Å; E465-K468 PolarHBondContact O-N 3.05Å; E465-K468 IonicContact OE1-NZ 2.81Å; E465-K468 PolarHBondContact OE1-NZ 3.31Å; E465-L469 WeakPolarHBondContact O-CG 3.37Å; E465-L469 PolarHBondContact O-N 2.82Å; E465-H522 WeakPolarHBondContact OE2-CA 3.41Å; E465-H522 IonicContact OE2-CE1 3.92Å; E465-H522 IonicContact OE2-CG 2.7Å; E465-H522 IonicContact OE2-ND1 3.81Å; E465-H522 PolarHBondContact OE2-ND1 2.76Å; E465-F523 WeakPolarHBondContact OE2-CA 3.45Å; E465-F523 VanDerWaalsContact OE2-CB 3.26Å; E465-F523 WeakPolarHBondContact OE2-CB 3.13Å; E465-F523 PolarHBondContact OE2-N 3.15Å
466	F	90.6	Very high	84.2	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.009	31%	0.307	C	S	.	.	H	α-helix	trans	-64.9	-33.5	175.1	-90.2	30.8	0	0	0	112.2	I427 V447 I462 L469 S470 F483 G484 I504 I526	I427-F466 HydrophobicContact CD1-CB 3.37Å; I427-F466 HydrophobicContact CG1-CB 3.82Å; I427-F466 HydrophobicContact CG2-CD2 4.11Å; V447-F466 HydrophobicContact CG1-CE1 4.33Å; V447-F466 HydrophobicContact CG1-CE2 4.26Å; V447-F466 HydrophobicContact CG1-CZ 3.7Å; V447-F466 WeakPolarHBondContact O-CE2 3.12Å; I462-F466 HydrophobicContact CD1-CD1 3.73Å; I462-F466 HydrophobicContact CD1-CE1 3.61Å; I462-F466 HydrophobicContact CD1-CZ 4.39Å; I462-F466 HydrophobicContact CG1-CD1 4.04Å; I462-F466 HydrophobicContact CG1-CE1 4.09Å; I462-F466 HydrophobicContact CG1-CG 4.47Å; I462-F466 VanDerWaalsContact O-CB 3.31Å; I462-F466 WeakPolarHBondContact O-CB 2.96Å; I462-F466 PolarHBondContact O-N 2.89Å; F466-L469 HydrophobicContact CD1-CD1 4.14Å; F466-L469 PolarHBondContact O-N 2.94Å; F466-S470 WeakPolarHBondContact O-CB 3.43Å; F466-S470 PolarHBondContact O-N 3.21Å; F466-F483 HydrophobicContact CD1-CD1 4.46Å; F466-F483 HydrophobicContact CD2-CB 4.09Å; F466-F483 AromaticContact CD2-CD1 3.99Å; F466-F483 HydrophobicContact CD2-CD1 3.99Å; F466-F483 HydrophobicContact CE2-CD1 4.25Å; F466-F483 HydrophobicContact CG-CD1 4.1Å; F466-G484 WeakPolarHBondContact CE2-O 3.49Å; F466-I504 HydrophobicContact CE1-CD1 3.97Å; F466-I504 HydrophobicContact CE1-CG1 4.26Å; F466-I504 HydrophobicContact CE1-CG2 4.45Å; F466-I504 HydrophobicContact CZ-CD1 4.36Å; F466-I504 HydrophobicContact CZ-CG1 4.16Å; F466-I504 HydrophobicContact CZ-CG2 3.97Å; F466-I526 HydrophobicContact CE1-CD1 4.22Å; F466-I526 HydrophobicContact CE1-CG2 4.46Å
467	T	87.7	Confident	85.2	Confident	38 Å²	38	65.2 Å²	65.2	23%	0.233	31%	0.31	C	S	.	.	H	α-helix	trans	-64.7	-46.2	175.5	-61.3	0	0	0	0	110.2	I427 H463 E464 E465 L469 S470 Q471	I427-T467 WeakPolarHBondContact CD1-OG1 3.38Å; H463-T467 VanDerWaalsContact O-CB 3.27Å; H463-T467 WeakPolarHBondContact O-CB 3.42Å; H463-T467 PolarHBondContact O-N 2.87Å; H463-T467 PolarHBondContact O-OG1 2.95Å; E464-T467 PolarHBondContact O-N 2.76Å; E465-T467 VanDerWaalsContact C-N 3.29Å; E465-T467 PolarHBondContact O-N 2.72Å; T467-L469 PolarHBondContact O-N 3.33Å; T467-S470 PolarHBondContact O-N 3.17Å; T467-Q471 WeakPolarHBondContact O-CG 3.48Å; T467-Q471 PolarHBondContact O-N 3.47Å
468	K	90.8	Very high	86.1	Confident	96 Å²	96	65.7 Å²	65.7	42%	0.417	30%	0.296	S	S	.	.	H	α-helix	trans	-59.8	-44.5	175.1	-68.4	170	-170.5	165.8	0	111.7	E464 E465 Q471 Y472 F523	E464-K468 WeakPolarHBondContact O-CG 3.34Å; E464-K468 PolarHBondContact O-N 3.24Å; E464-K468 VanDerWaalsContact O-N 3.17Å; E465-K468 PolarHBondContact O-N 3.05Å; E465-K468 IonicContact OE1-NZ 2.81Å; E465-K468 PolarHBondContact OE1-NZ 3.31Å; K468-Q471 PolarHBondContact O-N 2.78Å; K468-Y472 WeakPolarHBondContact O-CB 3.37Å; K468-Y472 PolarHBondContact O-N 3.5Å; K468-F523 HydrophobicContact CB-CD2 3.69Å; K468-F523 HydrophobicContact CB-CE2 4.07Å
469	L	92.7	Very high	86.7	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-46.4	177.7	-74.1	163.2	0	0	0	112.1	E465 F466 T467 Q471 Y472 Y473 F483 F523 I526 K527	E465-L469 WeakPolarHBondContact O-CG 3.37Å; E465-L469 PolarHBondContact O-N 2.82Å; F466-L469 HydrophobicContact CD1-CD1 4.14Å; F466-L469 PolarHBondContact O-N 2.94Å; T467-L469 PolarHBondContact O-N 3.33Å; L469-Q471 VanDerWaalsContact C-N 3.35Å; L469-Q471 PolarHBondContact O-N 3.04Å; L469-Y472 PolarHBondContact O-N 2.9Å; L469-Y473 HydrophobicContact CD2-CE2 4.16Å; L469-Y473 VanDerWaalsContact O-CD2 3.24Å; L469-Y473 WeakPolarHBondContact O-CD2 3.33Å; L469-Y473 PolarHBondContact O-N 2.87Å; L469-F483 HydrophobicContact CB-CD1 4.38Å; L469-F483 HydrophobicContact CB-CE1 3.73Å; L469-F483 HydrophobicContact CB-CE2 4.4Å; L469-F483 HydrophobicContact CB-CZ 3.75Å; L469-F483 HydrophobicContact CD1-CE1 4.11Å; L469-F483 HydrophobicContact CG-CE1 4.49Å; L469-F523 HydrophobicContact CD2-CD2 3.67Å; L469-F523 HydrophobicContact CD2-CE2 3.75Å; L469-F523 HydrophobicContact CD2-CG 4.31Å; L469-F523 HydrophobicContact CD2-CZ 4.42Å; L469-F523 HydrophobicContact CG-CD2 3.7Å; L469-F523 HydrophobicContact CG-CE2 4.04Å; L469-I526 HydrophobicContact CD1-CB 3.81Å; L469-I526 HydrophobicContact CD1-CD1 4.21Å; L469-I526 HydrophobicContact CD1-CG2 3.44Å; L469-I526 VanDerWaalsContact CD1-CG2 3.44Å; L469-K527 HydrophobicContact CD2-CB 3.82Å
470	S	89.6	Confident	87.5	Confident	7 Å²	7	68.5 Å²	68.5	5%	0.049	31%	0.308	C	S	.	.	H	α-helix	trans	-57.6	-47.8	177	-175.4	0	0	0	0	111.4	L424 F466 T467 Q474	L424-S470 PolarHBondContact O-OG 3.39Å; F466-S470 WeakPolarHBondContact O-CB 3.43Å; F466-S470 PolarHBondContact O-N 3.21Å; T467-S470 PolarHBondContact O-N 3.17Å; S470-Q474 VanDerWaalsContact O-CB 3.3Å; S470-Q474 WeakPolarHBondContact O-CB 3.37Å; S470-Q474 PolarHBondContact O-N 3.32Å
471	Q	88.9	Confident	88.3	Confident	96 Å²	96	60.2 Å²	60.2	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-63.2	-46.6	177.9	-71.2	173.4	-8.6	0	0	111.7	T467 K468 L469 Y473 Q474 E475	T467-Q471 WeakPolarHBondContact O-CG 3.48Å; T467-Q471 PolarHBondContact O-N 3.47Å; K468-Q471 PolarHBondContact O-N 2.78Å; L469-Q471 VanDerWaalsContact C-N 3.35Å; L469-Q471 PolarHBondContact O-N 3.04Å; Q471-Y473 PolarHBondContact O-N 3.38Å; Q471-Q474 WeakPolarHBondContact O-CB 3.38Å; Q471-Q474 PolarHBondContact O-N 3.12Å; Q471-E475 WeakPolarHBondContact O-CG 3.26Å; Q471-E475 PolarHBondContact O-N 2.78Å
472	Y	93	Very high	88.9	Confident	61 Å²	61	57 Å²	57	24%	0.239	26%	0.258	C	S	.	.	H	α-helix	trans	-56	-53.4	176.7	172.4	-90.4	0	0	0	111.5	K468 L469 Q474 E475 H476 F523 K527	K468-Y472 WeakPolarHBondContact O-CB 3.37Å; K468-Y472 PolarHBondContact O-N 3.5Å; L469-Y472 PolarHBondContact O-N 2.9Å; Y472-Q474 VanDerWaalsContact C-N 3.29Å; Y472-Q474 PolarHBondContact O-N 2.78Å; Y472-E475 PolarHBondContact O-N 3.19Å; Y472-H476 AromaticContact CD2-CE1 3.52Å; Y472-H476 AromaticContact CD2-ND1 3.78Å; Y472-H476 AromaticContact CE1-ND1 3.92Å; Y472-H476 AromaticContact CE2-CE1 3.13Å; Y472-H476 WeakPolarHBondContact CE2-CE1 3.42Å; Y472-H476 AromaticContact CE2-ND1 3.65Å; Y472-H476 AromaticContact CE2-NE2 3.74Å; Y472-H476 AromaticContact CG-ND1 3.99Å; Y472-H476 AromaticContact CZ-CE1 3.47Å; Y472-H476 VanDerWaalsContact CZ-CE1 3.47Å; Y472-H476 AromaticContact CZ-ND1 3.69Å; Y472-H476 AromaticContact CZ-NE2 3.78Å; Y472-H476 PolarHBondContact O-N 3.49Å; Y472-H476 VanDerWaalsContact O-N 3.09Å; Y472-H476 PolarHBondContact O-ND1 3.44Å; Y472-F523 HydrophobicContact CD1-CZ 4.36Å; Y472-F523 AromaticContact CD2-CZ 3.87Å; Y472-F523 HydrophobicContact CD2-CZ 3.87Å; Y472-F523 HydrophobicContact CG-CE2 4.24Å; Y472-F523 AromaticContact CG-CZ 3.77Å; Y472-F523 HydrophobicContact CG-CZ 3.77Å; Y472-K527 HydrophobicContact CE1-CD 4.07Å; Y472-K527 VanDerWaalsContact CE1-CE 3.44Å; Y472-K527 WeakPolarHBondContact OH-CE 3.49Å
473	Y	92.4	Very high	89.3	Confident	6 Å²	6	57 Å²	57	2%	0.024	26%	0.257	C	S	.	.	H	α-helix	trans	-66.9	-31.7	-178.2	-78.6	-63	0	0	0	112.6	L469 Q471 H476 R477 R478 L481 F483 K527 I530	L469-Y473 HydrophobicContact CD2-CE2 4.16Å; L469-Y473 VanDerWaalsContact O-CD2 3.24Å; L469-Y473 WeakPolarHBondContact O-CD2 3.33Å; L469-Y473 PolarHBondContact O-N 2.87Å; Q471-Y473 PolarHBondContact O-N 3.38Å; Y473-H476 CarbonylContact O-C 3.58Å; Y473-H476 PolarHBondContact O-N 2.77Å; Y473-R477 PolarHBondContact O-N 3.42Å; Y473-R478 HydrophobicContact CD1-CB 4.04Å; Y473-R478 HydrophobicContact CD1-CG 3.95Å; Y473-R478 HydrophobicContact CG-CB 4.46Å; Y473-R478 WeakPolarHBondContact O-CB 3.08Å; Y473-R478 PolarHBondContact O-N 2.94Å; Y473-L481 HydrophobicContact CD1-CD1 3.58Å; Y473-L481 HydrophobicContact CD2-CD1 3.7Å; Y473-L481 HydrophobicContact CE1-CD1 3.88Å; Y473-L481 HydrophobicContact CE2-CD1 3.99Å; Y473-L481 HydrophobicContact CG-CD1 3.46Å; Y473-L481 VanDerWaalsContact CG-CD1 3.46Å; Y473-F483 AromaticContact CD2-CE2 3.85Å; Y473-F483 HydrophobicContact CD2-CE2 3.85Å; Y473-F483 AromaticContact CD2-CZ 3.6Å; Y473-F483 HydrophobicContact CD2-CZ 3.6Å; Y473-F483 AromaticContact CE2-CZ 3.89Å; Y473-F483 HydrophobicContact CE2-CZ 3.89Å; Y473-K527 PolarHBondContact OH-O 3.25Å; Y473-I530 HydrophobicContact CE2-CD1 3.92Å
474	Q	84.4	Confident	89.8	Confident	59 Å²	59	53.8 Å²	53.8	28%	0.276	24%	0.243	S	C	.	.	H	α-helix	trans	-61.6	-48.4	171.3	-179.7	176.7	29	0	0	112.1	L424 S470 Q471 Y472 H476 R477	L424-Q474 HydrophobicContact CB-CB 4.18Å; L424-Q474 HydrophobicContact CB-CG 3.8Å; L424-Q474 HydrophobicContact CD1-CG 4.47Å; L424-Q474 HydrophobicContact CD2-CB 4.08Å; L424-Q474 HydrophobicContact CD2-CG 4.34Å; L424-Q474 HydrophobicContact CG-CG 4.43Å; L424-Q474 PolarHBondContact O-OE1 3.2Å; S470-Q474 VanDerWaalsContact O-CB 3.3Å; S470-Q474 WeakPolarHBondContact O-CB 3.37Å; S470-Q474 PolarHBondContact O-N 3.32Å; Q471-Q474 WeakPolarHBondContact O-CB 3.38Å; Q471-Q474 PolarHBondContact O-N 3.12Å; Y472-Q474 VanDerWaalsContact C-N 3.29Å; Y472-Q474 PolarHBondContact O-N 2.78Å; Q474-H476 PolarHBondContact O-N 2.87Å; Q474-R477 PolarHBondContact O-N 2.66Å
475	E	89.2	Confident	89.9	Confident	153 Å²	153	51 Å²	51	72%	0.715	23%	0.228	S	C	*	.	H	α-helix	trans	-59.4	-32.3	176.4	-71.9	176.1	174.3	0	0	111.8	Q471 Y472 R477	Q471-E475 WeakPolarHBondContact O-CG 3.26Å; Q471-E475 PolarHBondContact O-N 2.78Å; Y472-E475 PolarHBondContact O-N 3.19Å; E475-R477 VanDerWaalsContact C-N 3.26Å; E475-R477 PolarHBondContact O-N 3.09Å
476	H	92.6	Very high	89.9	Confident	100 Å²	100	50.4 Å²	50.4	46%	0.463	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	13.2	176.3	-65.5	76.8	0	0	0	113.7	Y472 Y473 Q474 R478	Y472-H476 AromaticContact CD2-CE1 3.52Å; Y472-H476 AromaticContact CD2-ND1 3.78Å; Y472-H476 AromaticContact CE1-ND1 3.92Å; Y472-H476 AromaticContact CE2-CE1 3.13Å; Y472-H476 WeakPolarHBondContact CE2-CE1 3.42Å; Y472-H476 AromaticContact CE2-ND1 3.65Å; Y472-H476 AromaticContact CE2-NE2 3.74Å; Y472-H476 AromaticContact CG-ND1 3.99Å; Y472-H476 AromaticContact CZ-CE1 3.47Å; Y472-H476 VanDerWaalsContact CZ-CE1 3.47Å; Y472-H476 AromaticContact CZ-ND1 3.69Å; Y472-H476 AromaticContact CZ-NE2 3.78Å; Y472-H476 PolarHBondContact O-N 3.49Å; Y472-H476 VanDerWaalsContact O-N 3.09Å; Y472-H476 PolarHBondContact O-ND1 3.44Å; Y473-H476 CarbonylContact O-C 3.58Å; Y473-H476 PolarHBondContact O-N 2.77Å; Q474-H476 PolarHBondContact O-N 2.87Å; H476-R478 PolarHBondContact O-N 3.45Å
477	R	88	Confident	89.7	Confident	218 Å²	218	51.4 Å²	51.4	82%	0.823	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	25.7	176.4	-53.7	-178.3	177.7	-173.7	-1.1	114.4	Y473 Q474 E475 N479	Y473-R477 PolarHBondContact O-N 3.42Å; Q474-R477 PolarHBondContact O-N 2.66Å; E475-R477 VanDerWaalsContact C-N 3.26Å; E475-R477 PolarHBondContact O-N 3.09Å; R477-N479 PolarHBondContact O-N 3.38Å
478	R	88.3	Confident	89.6	Confident	64 Å²	64	52.4 Å²	52.4	24%	0.242	23%	0.231	C	C	.	.			trans	-85.7	94.1	173.7	-70.8	-67.6	-52.7	-88.8	-2.2	109.3	Y473 H476 D480 L481 E534	Y473-R478 HydrophobicContact CD1-CB 4.04Å; Y473-R478 HydrophobicContact CD1-CG 3.95Å; Y473-R478 HydrophobicContact CG-CB 4.46Å; Y473-R478 WeakPolarHBondContact O-CB 3.08Å; Y473-R478 PolarHBondContact O-N 2.94Å; H476-R478 PolarHBondContact O-N 3.45Å; R478-D480 IonicContact CZ-OD1 2.78Å; R478-D480 IonicContact CZ-OD2 3.08Å; R478-D480 IonicContact NE-OD1 2.8Å; R478-D480 PolarHBondContact NE-OD1 2.93Å; R478-D480 IonicContact NE-OD2 3.23Å; R478-D480 VanDerWaalsContact NH2-CG 3.33Å; R478-D480 IonicContact NH2-OD1 2.74Å; R478-D480 PolarHBondContact NH2-OD1 3.33Å; R478-D480 VanDerWaalsContact NH2-OD1 3.08Å; R478-D480 IonicContact NH2-OD2 2.78Å; R478-D480 PolarHBondContact NH2-OD2 3.48Å; R478-L481 HydrophobicContact CB-CD1 4.25Å; R478-E534 IonicContact CZ-OE1 3.84Å; R478-E534 IonicContact CZ-OE2 2.74Å; R478-E534 VanDerWaalsContact CZ-OE2 3.23Å; R478-E534 IonicContact NH1-OE2 3.07Å; R478-E534 PolarHBondContact NH1-OE2 3.04Å; R478-E534 IonicContact NH2-OE1 3.41Å; R478-E534 PolarHBondContact NH2-OE1 3.42Å; R478-E534 IonicContact NH2-OE2 3.1Å; R478-E534 PolarHBondContact NH2-OE2 2.99Å
479	N	84.2	Confident	89.2	Confident	91 Å²	91	50.6 Å²	50.6	49%	0.487	23%	0.226	S	C	.	.			trans	-95.1	4.4	-178.3	-58.2	-15.6	0	0	0	113.4	L424 R477	L424-N479 HydrophobicContact CD1-CB 4.28Å; L424-N479 WeakPolarHBondContact CD1-OD1 3.39Å; R477-N479 PolarHBondContact O-N 3.38Å
480	D	90.2	Very high	88.8	Confident	30 Å²	30	52.5 Å²	52.5	16%	0.16	24%	0.236	C	C	.	.	S	Bend	trans	-103.4	18.7	-177.5	66.3	-40.8	0	0	0	112.6	W444 T445 R478 K509	W444-D480 CarbonylContact C-O 3.59Å; W444-D480 VanDerWaalsContact CA-O 3.23Å; W444-D480 WeakPolarHBondContact CA-O 3.18Å; W444-D480 VanDerWaalsContact CB-O 3.26Å; W444-D480 WeakPolarHBondContact CB-O 3.42Å; T445-D480 PolarHBondContact N-O 3.07Å; R478-D480 IonicContact CZ-OD1 2.78Å; R478-D480 IonicContact CZ-OD2 3.08Å; R478-D480 IonicContact NE-OD1 2.8Å; R478-D480 PolarHBondContact NE-OD1 2.93Å; R478-D480 IonicContact NE-OD2 3.23Å; R478-D480 VanDerWaalsContact NH2-CG 3.33Å; R478-D480 IonicContact NH2-OD1 2.74Å; R478-D480 PolarHBondContact NH2-OD1 3.33Å; R478-D480 VanDerWaalsContact NH2-OD1 3.08Å; R478-D480 IonicContact NH2-OD2 2.78Å; R478-D480 PolarHBondContact NH2-OD2 3.48Å; D480-K509 IonicContact OD2-NZ 3.86Å; D480-K509 PolarHBondContact OD2-NZ 2.91Å
481	L	92.4	Very high	88.7	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.026	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.1	174.4	-71.6	165.5	0	0	0	110.5	T445 Y473 R478 F483 I530	T445-L481 HydrophobicContact CG2-CD2 3.88Å; T445-L481 CarbonylContact O-C 3.4Å; T445-L481 WeakPolarHBondContact O-CA 3.43Å; Y473-L481 HydrophobicContact CD1-CD1 3.58Å; Y473-L481 HydrophobicContact CD2-CD1 3.7Å; Y473-L481 HydrophobicContact CE1-CD1 3.88Å; Y473-L481 HydrophobicContact CE2-CD1 3.99Å; Y473-L481 HydrophobicContact CG-CD1 3.46Å; Y473-L481 VanDerWaalsContact CG-CD1 3.46Å; R478-L481 HydrophobicContact CB-CD1 4.25Å; L481-F483 HydrophobicContact CB-CE2 4.17Å; L481-I530 HydrophobicContact CD1-CG2 4.41Å; L481-I530 HydrophobicContact CD2-CG2 3.91Å
482	L	91.5	Very high	88.6	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.4	171.9	-178.1	86.2	0	0	0	108.6	I411 H428 L438 W444 T445 S446 V447	I411-L482 HydrophobicContact CD1-CD1 4.11Å; H428-L482 HydrophobicContact CB-CD1 4.41Å; H428-L482 WeakPolarHBondContact CD2-CD1 3.4Å; L438-L482 HydrophobicContact CB-CD2 4.26Å; W444-L482 VanDerWaalsContact CD1-CB 3.49Å; W444-L482 HydrophobicContact CG-CB 4.25Å; T445-L482 PolarHBondContact O-N 2.98Å; S446-L482 CarbonylContact C-O 3.59Å; S446-L482 WeakPolarHBondContact CA-O 3.21Å; V447-L482 PolarHBondContact N-O 2.89Å
483	F	92	Very high	88.3	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129	170.3	-68.5	-85.6	0	0	0	109.3	H428 V447 F466 L469 Y473 L481 I530	H428-F483 PolarHBondContact CD2-O 2.76Å; H428-F483 PolarHBondContact N-O 3.37Å; V447-F483 HydrophobicContact CB-CD1 3.97Å; V447-F483 HydrophobicContact CB-CE1 4.05Å; V447-F483 HydrophobicContact CG1-CD1 4.35Å; V447-F483 HydrophobicContact CG1-CE1 4.31Å; V447-F483 HydrophobicContact CG2-CD1 4.49Å; V447-F483 HydrophobicContact CG2-CE1 4.13Å; V447-F483 WeakPolarHBondContact O-CA 3.48Å; F466-F483 HydrophobicContact CD1-CD1 4.46Å; F466-F483 HydrophobicContact CD2-CB 4.09Å; F466-F483 AromaticContact CD2-CD1 3.99Å; F466-F483 HydrophobicContact CD2-CD1 3.99Å; F466-F483 HydrophobicContact CE2-CD1 4.25Å; F466-F483 HydrophobicContact CG-CD1 4.1Å; L469-F483 HydrophobicContact CB-CD1 4.38Å; L469-F483 HydrophobicContact CB-CE1 3.73Å; L469-F483 HydrophobicContact CB-CE2 4.4Å; L469-F483 HydrophobicContact CB-CZ 3.75Å; L469-F483 HydrophobicContact CD1-CE1 4.11Å; L469-F483 HydrophobicContact CG-CE1 4.49Å; Y473-F483 AromaticContact CD2-CE2 3.85Å; Y473-F483 HydrophobicContact CD2-CE2 3.85Å; Y473-F483 AromaticContact CD2-CZ 3.6Å; Y473-F483 HydrophobicContact CD2-CZ 3.6Å; Y473-F483 AromaticContact CE2-CZ 3.89Å; Y473-F483 HydrophobicContact CE2-CZ 3.89Å; L481-F483 HydrophobicContact CB-CE2 4.17Å; F483-I530 HydrophobicContact CE1-CD1 3.75Å; F483-I530 HydrophobicContact CZ-CD1 3.83Å
484	G	90.7	Very high	87.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	159.8	179.7	0	0	0	0	0	114.2	H428 V447 V448 Y449 F466	H428-G484 CarbonylContact O-C 3.44Å; H428-G484 WeakPolarHBondContact O-CA 3.4Å; V447-G484 PolarHBondContact O-N 3.44Å; V448-G484 CarbonylContact C-O 3.4Å; V448-G484 VanDerWaalsContact CA-O 3.31Å; V448-G484 WeakPolarHBondContact CA-O 3.42Å; Y449-G484 PolarHBondContact N-O 2.9Å; F466-G484 WeakPolarHBondContact CE2-O 3.49Å
485	Y	89.2	Confident	87.8	Confident	26 Å²	26	53.1 Å²	53.1	10%	0.102	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.9	169.8	75	-85.5	0	0	0	110.1	I427 H428 K429 V430 Y449 Y487	I427-Y485 HydrophobicContact CB-CD1 4.43Å; I427-Y485 HydrophobicContact CG2-CD1 3.75Å; H428-Y485 PolarHBondContact O-N 3.27Å; K429-Y485 HydrophobicContact CB-CE1 3.85Å; K429-Y485 HydrophobicContact CB-CE2 4.33Å; K429-Y485 HydrophobicContact CD-CE2 4.36Å; K429-Y485 HydrophobicContact CG-CE1 4.39Å; K429-Y485 HydrophobicContact CG-CE2 3.96Å; V430-Y485 PolarHBondContact N-O 2.97Å; Y449-Y485 CarbonylContact O-C 3.53Å; Y449-Y485 VanDerWaalsContact O-CA 3.26Å; Y449-Y485 WeakPolarHBondContact O-CA 3.3Å; Y485-Y487 HydrophobicContact CE2-CE1 4.47Å; Y485-Y487 HydrophobicContact CE2-CE2 4.16Å; Y485-Y487 AromaticContact CE2-CZ 3.95Å
486	S	89.5	Confident	87.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	137.2	-179.1	-158.4	0	0	0	0	112.3	V430 Y449 F450 T451 F488 Y493	V430-S486 VanDerWaalsContact O-CB 3.28Å; V430-S486 WeakPolarHBondContact O-CB 3.3Å; V430-S486 PolarHBondContact O-OG 3.46Å; Y449-S486 PolarHBondContact O-N 3.26Å; F450-S486 WeakPolarHBondContact CA-O 3.34Å; T451-S486 PolarHBondContact N-O 2.98Å; S486-F488 PolarHBondContact O-N 3.12Å; S486-Y493 WeakPolarHBondContact CB-OH 3.4Å; S486-Y493 VanDerWaalsContact OG-CE1 3.27Å; S486-Y493 WeakPolarHBondContact OG-CE1 3.3Å; S486-Y493 PolarHBondContact OG-OH 3.24Å
487	Y	86.6	Confident	87.4	Confident	23 Å²	23	46 Å²	46	9%	0.09	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	101.6	175.6	-63.7	-48.7	0	0	0	110.7	E392 T451 K453 Y485 D489 L490 N491 Y493	E392-Y487 WeakPolarHBondContact OE1-CD2 3.35Å; E392-Y487 WeakPolarHBondContact OE2-CD2 3.44Å; T451-Y487 HydrophobicContact CG2-CD1 3.78Å; T451-Y487 HydrophobicContact CG2-CE1 3.9Å; T451-Y487 CarbonylContact O-C 3.57Å; T451-Y487 WeakPolarHBondContact O-CA 3.24Å; K453-Y487 HydrophobicContact CB-CD1 4.19Å; K453-Y487 HydrophobicContact CB-CE1 4.25Å; K453-Y487 HydrophobicContact CB-CG 4.45Å; Y485-Y487 HydrophobicContact CE2-CE1 4.47Å; Y485-Y487 HydrophobicContact CE2-CE2 4.16Å; Y485-Y487 AromaticContact CE2-CZ 3.95Å; Y487-D489 WeakPolarHBondContact CB-OD1 3.34Å; Y487-D489 PolarHBondContact O-N 2.94Å; Y487-L490 HydrophobicContact CD2-CD1 4.06Å; Y487-L490 HydrophobicContact CG-CD1 4.33Å; Y487-L490 PolarHBondContact O-N 3.35Å; Y487-L490 VanDerWaalsContact O-N 3.08Å; Y487-N491 PolarHBondContact O-N 2.67Å; Y487-N491 VanDerWaalsContact O-N 3.09Å; Y487-N491 PolarHBondContact O-ND2 3.29Å; Y487-Y493 PolarHBondContact O-OH 3.36Å
488	F	86.4	Confident	86.8	Confident	59 Å²	59	40.6 Å²	40.6	26%	0.259	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20	-178.8	75	-102.7	0	0	0	113.4	T451 A452 S486 L490 Y493 M501	T451-F488 WeakPolarHBondContact O-CD1 3.32Å; T451-F488 WeakPolarHBondContact O-CE1 3.33Å; T451-F488 PolarHBondContact O-N 3.39Å; A452-F488 HydrophobicContact CB-CD1 4.44Å; A452-F488 HydrophobicContact CB-CE1 3.65Å; A452-F488 HydrophobicContact CB-CZ 3.75Å; S486-F488 PolarHBondContact O-N 3.12Å; F488-L490 VanDerWaalsContact C-N 3.3Å; F488-Y493 WeakPolarHBondContact CA-OH 3.2Å; F488-Y493 HydrophobicContact CB-CE2 4.33Å; F488-Y493 PolarHBondContact N-OH 2.98Å; F488-M501 HydrophobicContact CB-CE 4.35Å; F488-M501 HydrophobicContact CB-CG 4.25Å; F488-M501 HydrophobicContact CD1-CB 3.47Å; F488-M501 VanDerWaalsContact CD1-CB 3.47Å; F488-M501 HydrophobicContact CD1-CG 3.77Å; F488-M501 HydrophobicContact CD1-SD 4.48Å; F488-M501 HydrophobicContact CD2-CB 4.27Å; F488-M501 HydrophobicContact CD2-CG 4.24Å; F488-M501 HydrophobicContact CE1-CB 3.4Å; F488-M501 HydrophobicContact CE1-CG 4.2Å; F488-M501 HydrophobicContact CE2-CB 4.21Å; F488-M501 HydrophobicContact CG-CB 3.96Å; F488-M501 HydrophobicContact CG-CG 3.83Å; F488-M501 HydrophobicContact CZ-CB 3.79Å
489	D	81.9	Confident	85.7	Confident	58 Å²	58	38.6 Å²	38.6	31%	0.31	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-13.9	175.6	57.4	-36.6	0	0	0	112.8	A452 K453 Y487	A452-D489 WeakPolarHBondContact CA-OD1 3.44Å; K453-D489 PolarHBondContact N-OD1 2.81Å; Y487-D489 WeakPolarHBondContact CB-OD1 3.34Å; Y487-D489 PolarHBondContact O-N 2.94Å
490	L	83.9	Confident	85	Confident	39 Å²	39	42.1 Å²	42.1	20%	0.204	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-9.2	-178	-56.3	179.8	0	0	0	114	E392 K453 Y487 F488	E392-L490 HydrophobicContact CG-CB 3.51Å; E392-L490 HydrophobicContact CG-CD1 4.01Å; E392-L490 HydrophobicContact CG-CG 4.41Å; K453-L490 HydrophobicContact CD-CD1 4.44Å; Y487-L490 HydrophobicContact CD2-CD1 4.06Å; Y487-L490 HydrophobicContact CG-CD1 4.33Å; Y487-L490 PolarHBondContact O-N 3.35Å; Y487-L490 VanDerWaalsContact O-N 3.08Å; F488-L490 VanDerWaalsContact C-N 3.3Å
491	N	87	Confident	84.4	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.011	23%	0.227	C	C	.	.			trans	-131.1	136.6	-177	-59.7	-81.5	0	0	0	111.2	M390 S391 E392 V431 G432 Y487 Y493	M390-N491 WeakPolarHBondContact O-CA 3.17Å; S391-N491 WeakPolarHBondContact CA-OD1 3.25Å; E392-N491 PolarHBondContact N-OD1 3.07Å; E392-N491 PolarHBondContact OE1-ND2 2.94Å; V431-N491 WeakPolarHBondContact CA-OD1 3.47Å; V431-N491 WeakPolarHBondContact CB-OD1 3.45Å; G432-N491 PolarHBondContact N-OD1 3.25Å; Y487-N491 PolarHBondContact O-N 2.67Å; Y487-N491 VanDerWaalsContact O-N 3.09Å; Y487-N491 PolarHBondContact O-ND2 3.29Å; N491-Y493 HydrophobicContact CB-CD1 4.41Å; N491-Y493 HydrophobicContact CB-CE1 3.64Å; N491-Y493 HydrophobicContact CB-CE2 4.31Å; N491-Y493 WeakPolarHBondContact O-CE2 3.43Å
492	D	87.1	Confident	83.6	Confident	31 Å²	31	45.6 Å²	45.6	17%	0.166	24%	0.241	C	C	.	.			trans	-98.4	146.1	160.8	-59.3	-51.3	0	0	0	108.6	R344 Y389 M390 G432	R344-D492 IonicContact NH1-OD1 2.84Å; R344-D492 IonicContact NH1-OD2 2.99Å; R344-D492 PolarHBondContact NH1-OD2 3.12Å; Y389-D492 HydrophobicContact CD1-CB 3.77Å; Y389-D492 HydrophobicContact CG-CB 4.36Å; M390-D492 HydrophobicContact CB-CB 4.38Å; M390-D492 WeakPolarHBondContact CB-OD2 3.48Å; M390-D492 VanDerWaalsContact CG-OD2 3.29Å; M390-D492 WeakPolarHBondContact CG-OD2 3.36Å; M390-D492 PolarHBondContact N-OD2 3.27Å; M390-D492 PolarHBondContact O-N 3.45Å; G432-D492 WeakPolarHBondContact CA-O 3.4Å
493	Y	86.9	Confident	83.4	Confident	26 Å²	26	47.5 Å²	47.5	10%	0.102	25%	0.248	C	C	.	.			trans	-121.5	118.1	-175.5	-46.4	-81.5	0	0	0	109.3	F435 F450 S486 Y487 F488 N491 E495 L496	F435-Y493 HydrophobicContact CB-CD1 4Å; F435-Y493 HydrophobicContact CD1-CD1 4.35Å; F435-Y493 AromaticContact CD2-CD1 3.35Å; F435-Y493 HydrophobicContact CD2-CD1 3.35Å; F435-Y493 AromaticContact CD2-CE1 3.97Å; F435-Y493 HydrophobicContact CD2-CE1 3.97Å; F435-Y493 HydrophobicContact CD2-CG 4.15Å; F435-Y493 AromaticContact CE2-CD1 3.91Å; F435-Y493 HydrophobicContact CE2-CD1 3.91Å; F435-Y493 HydrophobicContact CE2-CG 4.36Å; F435-Y493 AromaticContact CG-CD1 3.63Å; F435-Y493 HydrophobicContact CG-CD1 3.63Å; F435-Y493 HydrophobicContact CG-CG 4.32Å; F450-Y493 HydrophobicContact CD1-CE1 4.42Å; F450-Y493 AromaticContact CD1-CE2 3.88Å; F450-Y493 HydrophobicContact CD1-CE2 3.88Å; F450-Y493 AromaticContact CD1-CZ 3.78Å; F450-Y493 HydrophobicContact CE1-CD1 4.25Å; F450-Y493 HydrophobicContact CE1-CD2 4.14Å; F450-Y493 AromaticContact CE1-CE1 3.94Å; F450-Y493 HydrophobicContact CE1-CE1 3.94Å; F450-Y493 AromaticContact CE1-CE2 3.83Å; F450-Y493 HydrophobicContact CE1-CE2 3.83Å; F450-Y493 HydrophobicContact CE1-CG 4.33Å; F450-Y493 AromaticContact CE1-CZ 3.7Å; S486-Y493 WeakPolarHBondContact CB-OH 3.4Å; S486-Y493 VanDerWaalsContact OG-CE1 3.27Å; S486-Y493 WeakPolarHBondContact OG-CE1 3.3Å; S486-Y493 PolarHBondContact OG-OH 3.24Å; Y487-Y493 PolarHBondContact O-OH 3.36Å; F488-Y493 WeakPolarHBondContact CA-OH 3.2Å; F488-Y493 HydrophobicContact CB-CE2 4.33Å; F488-Y493 PolarHBondContact N-OH 2.98Å; N491-Y493 HydrophobicContact CB-CD1 4.41Å; N491-Y493 HydrophobicContact CB-CE1 3.64Å; N491-Y493 HydrophobicContact CB-CE2 4.31Å; N491-Y493 WeakPolarHBondContact O-CE2 3.43Å; Y493-E495 PolarHBondContact O-N 3.36Å; Y493-L496 HydrophobicContact CD2-CD2 3.34Å; Y493-L496 HydrophobicContact CE2-CD2 4.04Å; Y493-L496 HydrophobicContact CG-CB 4.38Å; Y493-L496 HydrophobicContact CG-CD2 3.78Å
494	E	82.5	Confident	83.5	Confident	77 Å²	77	47.2 Å²	47.2	36%	0.36	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	136.2	169.5	-172.2	179	-136.2	0	0	109	Y389 K436 L496	Y389-E494 HydrophobicContact CD1-CB 4.38Å; Y389-E494 HydrophobicContact CD2-CB 4.29Å; Y389-E494 HydrophobicContact CE1-CB 4.1Å; Y389-E494 HydrophobicContact CE2-CB 3.99Å; Y389-E494 HydrophobicContact CE2-CG 4.03Å; Y389-E494 HydrophobicContact CG-CB 4.49Å; K436-E494 IonicContact NZ-OE2 2.73Å; K436-E494 PolarHBondContact NZ-OE2 2.9Å; E494-L496 PolarHBondContact O-N 2.73Å
495	E	84.6	Confident	83.7	Confident	107 Å²	107	47.3 Å²	47.3	50%	0.5	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	3.6	176.7	-64	158.9	-146.2	0	0	117.1	K436 Y493 T497 Q514	K436-E495 IonicContact NZ-OE1 2.74Å; K436-E495 PolarHBondContact NZ-OE1 2.86Å; Y493-E495 PolarHBondContact O-N 3.36Å; E495-T497 PolarHBondContact O-N 2.87Å; E495-Q514 PolarHBondContact O-NE2 2.73Å
496	L	88.1	Confident	84	Confident	34 Å²	34	46.1 Å²	46.1	18%	0.178	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-70.5	126.7	173.3	-177.7	68.9	0	0	0	110.7	F435 F450 Y493 E494 M501 K505 F507	F435-L496 HydrophobicContact CE1-CB 4.41Å; F435-L496 HydrophobicContact CZ-CB 4.35Å; F435-L496 HydrophobicContact CZ-CD1 3.96Å; F450-L496 HydrophobicContact CD1-CD2 4.25Å; F450-L496 HydrophobicContact CE1-CD1 4.31Å; F450-L496 HydrophobicContact CE1-CD2 3.62Å; F450-L496 HydrophobicContact CE2-CD1 4.13Å; F450-L496 HydrophobicContact CZ-CD1 3.63Å; F450-L496 HydrophobicContact CZ-CD2 3.79Å; F450-L496 HydrophobicContact CZ-CG 4.4Å; Y493-L496 HydrophobicContact CD2-CD2 3.34Å; Y493-L496 HydrophobicContact CE2-CD2 4.04Å; Y493-L496 HydrophobicContact CG-CB 4.38Å; Y493-L496 HydrophobicContact CG-CD2 3.78Å; E494-L496 PolarHBondContact O-N 2.73Å; L496-M501 HydrophobicContact CD2-CE 4.21Å; L496-K505 HydrophobicContact CD1-CD 3.83Å; L496-F507 HydrophobicContact CD1-CE1 4.16Å; L496-F507 HydrophobicContact CD1-CZ 3.74Å
497	T	84.7	Confident	84.3	Confident	70 Å²	70	46.2 Å²	46.2	43%	0.429	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-71.8	150.2	173.7	55.9	0	0	0	0	111.2	E495 T499 K505 Q514	E495-T497 PolarHBondContact O-N 2.87Å; T497-T499 PolarHBondContact O-N 2.78Å; T497-T499 PolarHBondContact O-OG1 2.95Å; T497-K505 PolarHBondContact OG1-NZ 3.28Å; T497-K505 VanDerWaalsContact OG1-NZ 3.09Å; T497-Q514 PolarHBondContact OG1-OE1 3.09Å
498	A	74.2	Confident	84.7	Confident	104 Å²	104	45.5 Å²	45.5	86%	0.86	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-52.5	126.9	179.6	0	0	0	0	0	110.7
499	T	66.8	Low	85	Confident	21 Å²	21	46.8 Å²	46.8	13%	0.129	25%	0.247	C	C	.	.			trans	-129.8	131.6	-175.4	-52.5	0	0	0	0	107.1	T497 M501 R503 K505	T497-T499 PolarHBondContact O-N 2.78Å; T497-T499 PolarHBondContact O-OG1 2.95Å; T499-M501 HydrophobicContact CG2-CE 3.89Å; T499-M501 HydrophobicContact CG2-SD 3.66Å; T499-M501 PolarHBondContact O-N 3.09Å; T499-R503 HydrophobicContact CG2-CB 3.88Å; T499-R503 VanDerWaalsContact CG2-CD 3.49Å; T499-R503 HydrophobicContact CG2-CG 3.82Å; T499-K505 WeakPolarHBondContact OG1-CE 3.31Å
500	K	69.1	Low	85.4	Confident	166 Å²	166	51.2 Å²	51.2	72%	0.722	27%	0.266	S	S	*	.			trans	-67.9	122.3	169.8	-70.2	179.6	-179	174.4	0	107.3	R503	K500-R503 WeakPolarHBondContact O-CB 3.26Å; K500-R503 WeakPolarHBondContact O-CD 2.9Å
501	M	76.3	Confident	85.8	Confident	57 Å²	57	51 Å²	51	28%	0.281	27%	0.267	S	S	.	.	S	Bend	trans	-108.4	148.1	-175	-57.6	-56.2	-164.4	0	0	112	F450 F488 L496 T499	F450-M501 HydrophobicContact CB-CE 3.42Å; F450-M501 VanDerWaalsContact CB-CE 3.42Å; F450-M501 HydrophobicContact CB-SD 3.3Å; F450-M501 WeakPolarHBondContact CB-SD 3.27Å; F450-M501 HydrophobicContact CD1-CE 3.81Å; F450-M501 HydrophobicContact CD2-CE 4.15Å; F450-M501 HydrophobicContact CG-CE 3.53Å; F450-M501 HydrophobicContact CG-SD 4.06Å; F488-M501 HydrophobicContact CB-CE 4.35Å; F488-M501 HydrophobicContact CB-CG 4.25Å; F488-M501 HydrophobicContact CD1-CB 3.47Å; F488-M501 VanDerWaalsContact CD1-CB 3.47Å; F488-M501 HydrophobicContact CD1-CG 3.77Å; F488-M501 HydrophobicContact CD1-SD 4.48Å; F488-M501 HydrophobicContact CD2-CB 4.27Å; F488-M501 HydrophobicContact CD2-CG 4.24Å; F488-M501 HydrophobicContact CE1-CB 3.4Å; F488-M501 HydrophobicContact CE1-CG 4.2Å; F488-M501 HydrophobicContact CE2-CB 4.21Å; F488-M501 HydrophobicContact CG-CB 3.96Å; F488-M501 HydrophobicContact CG-CG 3.83Å; F488-M501 HydrophobicContact CZ-CB 3.79Å; L496-M501 HydrophobicContact CD2-CE 4.21Å; T499-M501 HydrophobicContact CG2-CE 3.89Å; T499-M501 HydrophobicContact CG2-SD 3.66Å; T499-M501 PolarHBondContact O-N 3.09Å
502	P	76.1	Confident	85.9	Confident	50 Å²	50	57.8 Å²	57.8	33%	0.325	30%	0.304	S	S	.	.	S	Bend	cis	-72.3	148.4	-3.9	31.3	-35.9	0	0	0	113.1	Y449 F450	Y449-P502 HydrophobicContact CE2-CB 4.43Å; F450-P502 CarbonylContact O-C 3.48Å; F450-P502 WeakPolarHBondContact O-CA 3.27Å; F450-P502 WeakPolarHBondContact O-CB 3.31Å
503	R	88.2	Confident	86.2	Confident	41 Å²	41	61.1 Å²	61.1	16%	0.155	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	149.6	-175.6	177.8	169.2	-86.4	-136.8	-12.4	113.9	F450 T499 K500 D516 E518	F450-R503 PolarHBondContact N-O 3.17Å; F450-R503 PolarHBondContact O-N 3.47Å; T499-R503 HydrophobicContact CG2-CB 3.88Å; T499-R503 VanDerWaalsContact CG2-CD 3.49Å; T499-R503 HydrophobicContact CG2-CG 3.82Å; K500-R503 WeakPolarHBondContact O-CB 3.26Å; K500-R503 WeakPolarHBondContact O-CD 2.9Å; R503-D516 IonicContact CZ-OD2 2.69Å; R503-D516 IonicContact NH1-OD2 3.65Å; R503-D516 PolarHBondContact NH1-OD2 3.47Å; R503-E518 IonicContact CZ-OE1 3.77Å; R503-E518 IonicContact NH1-OE1 3.75Å; R503-E518 PolarHBondContact NH1-OE1 3.07Å; R503-E518 IonicContact NH2-OE1 2.97Å; R503-E518 PolarHBondContact NH2-OE1 3.33Å
504	I	93.1	Very high	86.5	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	139	171.2	-55.6	164.7	0	0	0	109.8	V447 V448 Y449 I462 F466 Y517 E521 I526	V447-I504 HydrophobicContact CG1-CG2 3.81Å; V448-I504 WeakPolarHBondContact O-CA 3.41Å; Y449-I504 HydrophobicContact CD2-CG1 3.55Å; Y449-I504 HydrophobicContact CE2-CG1 4.21Å; Y449-I504 HydrophobicContact CG-CG1 4.44Å; I462-I504 HydrophobicContact CD1-CD1 3.56Å; I462-I504 HydrophobicContact CD1-CG1 4.04Å; F466-I504 HydrophobicContact CE1-CD1 3.97Å; F466-I504 HydrophobicContact CE1-CG1 4.26Å; F466-I504 HydrophobicContact CE1-CG2 4.45Å; F466-I504 HydrophobicContact CZ-CD1 4.36Å; F466-I504 HydrophobicContact CZ-CG1 4.16Å; F466-I504 HydrophobicContact CZ-CG2 3.97Å; I504-Y517 HydrophobicContact CB-CD1 4.18Å; I504-Y517 HydrophobicContact CB-CG 4.37Å; I504-Y517 HydrophobicContact CD1-CD1 3.74Å; I504-Y517 HydrophobicContact CD1-CE1 4.16Å; I504-Y517 HydrophobicContact CG1-CD1 4.44Å; I504-Y517 WeakPolarHBondContact O-CB 3.2Å; I504-Y517 PolarHBondContact O-N 3.22Å; I504-E521 HydrophobicContact CD1-CG 4.33Å; I504-I526 HydrophobicContact CD1-CD1 3.73Å; I504-I526 HydrophobicContact CD1-CG1 4.01Å
505	K	94.9	Very high	87.1	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.009	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	141	172.7	-177	-175.9	-80.3	-81.4	0	110.2	V448 F450 L496 T497 T499 F507 Q514 I515 D516	V448-K505 PolarHBondContact N-O 3.28Å; V448-K505 PolarHBondContact O-N 3.03Å; F450-K505 HydrophobicContact CD2-CB 4.37Å; F450-K505 HydrophobicContact CE2-CB 3.98Å; F450-K505 HydrophobicContact CE2-CD 4.31Å; L496-K505 HydrophobicContact CD1-CD 3.83Å; T497-K505 PolarHBondContact OG1-NZ 3.28Å; T497-K505 VanDerWaalsContact OG1-NZ 3.09Å; T499-K505 WeakPolarHBondContact OG1-CE 3.31Å; K505-F507 HydrophobicContact CB-CE2 4.06Å; K505-F507 HydrophobicContact CB-CZ 4.41Å; K505-F507 HydrophobicContact CD-CE1 3.85Å; K505-F507 HydrophobicContact CD-CE2 3.8Å; K505-F507 HydrophobicContact CD-CZ 3.3Å; K505-F507 HydrophobicContact CG-CD2 4.44Å; K505-F507 HydrophobicContact CG-CE1 4.48Å; K505-F507 HydrophobicContact CG-CE2 3.81Å; K505-F507 HydrophobicContact CG-CZ 3.86Å; K505-Q514 HydrophobicContact CD-CB 4.02Å; K505-Q514 PolarHBondContact NZ-O 3.48Å; K505-I515 WeakPolarHBondContact CA-O 3.34Å; K505-I515 WeakPolarHBondContact CG-O 3.49Å; K505-D516 WeakPolarHBondContact CE-OD1 3.26Å; K505-D516 IonicContact NZ-OD1 3.6Å; K505-D516 PolarHBondContact NZ-OD1 3.36Å
506	I	95.6	Very high	87.5	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	139.8	175.4	-168.6	168.4	0	0	0	110.9	T445 S446 V447 I515 F529 I530 V533	T445-I506 HydrophobicContact CG2-CD1 3.59Å; T445-I506 HydrophobicContact CG2-CG1 3.54Å; S446-I506 CarbonylContact O-C 3.5Å; S446-I506 VanDerWaalsContact O-CA 3.3Å; S446-I506 WeakPolarHBondContact O-CA 3.26Å; V447-I506 HydrophobicContact CG2-CD1 3.96Å; V447-I506 HydrophobicContact CG2-CG1 4Å; I506-I515 HydrophobicContact CG2-CB 3.71Å; I506-I515 HydrophobicContact CG2-CD1 4.49Å; I506-I515 HydrophobicContact CG2-CG2 4.35Å; I506-I515 PolarHBondContact N-O 3.08Å; I506-I515 PolarHBondContact O-N 3.48Å; I506-F529 HydrophobicContact CB-CE1 3.91Å; I506-F529 HydrophobicContact CB-CZ 4.34Å; I506-F529 HydrophobicContact CG2-CE1 3.51Å; I506-F529 HydrophobicContact CG2-CE2 4.49Å; I506-F529 HydrophobicContact CG2-CZ 3.46Å; I506-F529 VanDerWaalsContact CG2-CZ 3.46Å; I506-I530 HydrophobicContact CD1-CB 4.36Å; I506-I530 HydrophobicContact CD1-CG1 4.1Å; I506-I530 HydrophobicContact CD1-CG2 4.33Å; I506-V533 HydrophobicContact CD1-CB 4.2Å; I506-V533 HydrophobicContact CD1-CG1 4.03Å; I506-V533 HydrophobicContact CG1-CG1 4.46Å; I506-V533 HydrophobicContact CG2-CB 4.32Å; I506-V533 HydrophobicContact CG2-CG1 3.88Å; I506-V533 HydrophobicContact CG2-CG2 4Å
507	F	95.3	Very high	87.7	Confident	3 Å²	3	56.2 Å²	56.2	1%	0.013	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	95.4	179.4	-57.7	-98.3	0	0	0	106.8	F435 V439 K440 T445 S446 V448 F450 L496 K505 Q514	F435-F507 HydrophobicContact CE2-CZ 4.33Å; F435-F507 HydrophobicContact CZ-CE1 4.03Å; F435-F507 AromaticContact CZ-CZ 3.81Å; F435-F507 HydrophobicContact CZ-CZ 3.81Å; V439-F507 HydrophobicContact CG1-CB 4.11Å; V439-F507 HydrophobicContact CG1-CD1 3.83Å; V439-F507 HydrophobicContact CG1-CD2 3.22Å; V439-F507 HydrophobicContact CG1-CE1 3.96Å; V439-F507 HydrophobicContact CG1-CE2 3.39Å; V439-F507 HydrophobicContact CG1-CG 3.44Å; V439-F507 VanDerWaalsContact CG1-CG 3.44Å; V439-F507 HydrophobicContact CG1-CZ 3.74Å; K440-F507 HydrophobicContact CD-CD1 4.04Å; T445-F507 CarbonylContact C-O 3.49Å; T445-F507 VanDerWaalsContact CA-O 3.32Å; T445-F507 WeakPolarHBondContact CA-O 3.49Å; S446-F507 PolarHBondContact N-O 2.83Å; S446-F507 PolarHBondContact O-N 3.35Å; V448-F507 HydrophobicContact CB-CE2 4.15Å; V448-F507 HydrophobicContact CG2-CD2 4.21Å; V448-F507 HydrophobicContact CG2-CE2 4.01Å; F450-F507 HydrophobicContact CE2-CE2 4.15Å; F450-F507 HydrophobicContact CE2-CZ 4.17Å; F450-F507 HydrophobicContact CZ-CE2 4.32Å; F450-F507 HydrophobicContact CZ-CZ 4.09Å; L496-F507 HydrophobicContact CD1-CE1 4.16Å; L496-F507 HydrophobicContact CD1-CZ 3.74Å; K505-F507 HydrophobicContact CB-CE2 4.06Å; K505-F507 HydrophobicContact CB-CZ 4.41Å; K505-F507 HydrophobicContact CD-CE1 3.85Å; K505-F507 HydrophobicContact CD-CE2 3.8Å; K505-F507 HydrophobicContact CD-CZ 3.3Å; K505-F507 HydrophobicContact CG-CD2 4.44Å; K505-F507 HydrophobicContact CG-CE1 4.48Å; K505-F507 HydrophobicContact CG-CE2 3.81Å; K505-F507 HydrophobicContact CG-CZ 3.86Å; F507-Q514 HydrophobicContact CD1-CG 3.86Å; F507-Q514 HydrophobicContact CE1-CB 4.35Å; F507-Q514 HydrophobicContact CE1-CG 3.69Å
508	P	95.6	Very high	87.9	Confident	8 Å²	8	60 Å²	60	5%	0.052	31%	0.31	C	S	.	.			trans	-63.3	142.7	-176.1	-19.3	31.8	0	0	0	111.4	S511 I515 V533 V537	P508-S511 PolarHBondContact O-N 2.91Å; P508-I515 HydrophobicContact CG-CD1 4.17Å; P508-V533 HydrophobicContact CG-CG1 3.75Å; P508-V537 HydrophobicContact CB-CB 4.18Å; P508-V537 HydrophobicContact CB-CG1 3.88Å; P508-V537 HydrophobicContact CG-CB 4.18Å; P508-V537 HydrophobicContact CG-CG1 4.04Å; P508-V537 HydrophobicContact CG-CG2 4.07Å
509	K	93	Very high	88.6	Confident	85 Å²	85	57.1 Å²	57.1	37%	0.37	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	148.1	172.6	69.2	-172.7	177.3	-170.9	0	110.7	W444 T445 D480 S511	W444-K509 VanDerWaalsContact C-CB 3.47Å; T445-K509 PolarHBondContact OG1-N 3.28Å; T445-K509 VanDerWaalsContact OG1-N 3.12Å; D480-K509 IonicContact OD2-NZ 3.86Å; D480-K509 PolarHBondContact OD2-NZ 2.91Å; K509-S511 PolarHBondContact O-N 3.21Å
510	Q	91.3	Very high	89.7	Confident	152 Å²	152	63.4 Å²	63.4	71%	0.71	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	16.9	179.4	-54.6	-178.8	-21.7	0	0	114.9	P442	P442-Q510 WeakPolarHBondContact O-CG 3.32Å; P442-Q510 PolarHBondContact O-N 3.24Å
511	S	91.1	Very high	90.6	Very high	33 Å²	33	58.8 Å²	58.8	23%	0.231	30%	0.297	C	S	.	.			trans	-127.8	151.1	-179.5	-176.6	0	0	0	0	111.6	P508 K509 E513	P508-S511 PolarHBondContact O-N 2.91Å; K509-S511 PolarHBondContact O-N 3.21Å; S511-E513 WeakPolarHBondContact OG-CB 3.47Å; S511-E513 WeakPolarHBondContact OG-CG 3.15Å; S511-E513 PolarHBondContact OG-N 3.28Å; S511-E513 VanDerWaalsContact OG-N 3.09Å
512	N	90.5	Very high	91.4	Very high	146 Å²	146	60.3 Å²	60.3	78%	0.781	30%	0.303	S	S	*	.			trans	-91.5	-2.7	170.8	-72.3	-35.9	0	0	0	112.6
513	E	92.8	Very high	92.2	Very high	101 Å²	101	59.7 Å²	59.7	47%	0.472	30%	0.295	S	S	.	.			trans	-64.7	153.8	-178.5	-68.8	-171.7	-172.2	0	0	113	S511 I515 V537	S511-E513 WeakPolarHBondContact OG-CB 3.47Å; S511-E513 WeakPolarHBondContact OG-CG 3.15Å; S511-E513 PolarHBondContact OG-N 3.28Å; S511-E513 VanDerWaalsContact OG-N 3.09Å; E513-I515 HydrophobicContact CB-CG1 4.38Å; E513-V537 VanDerWaalsContact OE2-CG2 3.3Å; E513-V537 WeakPolarHBondContact OE2-CG2 3.28Å
514	Q	93.5	Very high	92.6	Very high	38 Å²	38	62.4 Å²	62.4	18%	0.178	31%	0.313	C	S	.	.			trans	-140.1	92.1	-175.9	-65.8	-169.8	45	0	0	108.4	K440 E495 T497 K505 F507	K440-Q514 VanDerWaalsContact NZ-CG 3.33Å; K440-Q514 VanDerWaalsContact NZ-NE2 3.1Å; E495-Q514 PolarHBondContact O-NE2 2.73Å; T497-Q514 PolarHBondContact OG1-OE1 3.09Å; K505-Q514 HydrophobicContact CD-CB 4.02Å; K505-Q514 PolarHBondContact NZ-O 3.48Å; F507-Q514 HydrophobicContact CD1-CG 3.86Å; F507-Q514 HydrophobicContact CE1-CB 4.35Å; F507-Q514 HydrophobicContact CE1-CG 3.69Å
515	I	94.1	Very high	92.8	Very high	43 Å²	43	64.9 Å²	64.9	22%	0.221	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.6	-167.1	-54.7	167.3	0	0	0	108.8	K505 I506 P508 E513 F529 V533 V537	K505-I515 WeakPolarHBondContact CA-O 3.34Å; K505-I515 WeakPolarHBondContact CG-O 3.49Å; I506-I515 HydrophobicContact CG2-CB 3.71Å; I506-I515 HydrophobicContact CG2-CD1 4.49Å; I506-I515 HydrophobicContact CG2-CG2 4.35Å; I506-I515 PolarHBondContact N-O 3.08Å; I506-I515 PolarHBondContact O-N 3.48Å; P508-I515 HydrophobicContact CG-CD1 4.17Å; E513-I515 HydrophobicContact CB-CG1 4.38Å; I515-F529 HydrophobicContact CB-CZ 4.48Å; I515-F529 HydrophobicContact CG2-CE2 3.97Å; I515-F529 HydrophobicContact CG2-CZ 3.91Å; I515-V533 HydrophobicContact CD1-CB 4.45Å; I515-V533 HydrophobicContact CD1-CG1 3.6Å; I515-V533 HydrophobicContact CD1-CG2 4.06Å; I515-V533 HydrophobicContact CG2-CG2 4.28Å; I515-V537 HydrophobicContact CD1-CG2 3.83Å
516	D	93.7	Very high	92.8	Very high	43 Å²	43	64.8 Å²	64.8	23%	0.23	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	139	175.4	-78.7	3.2	0	0	0	110.5	R503 K505	R503-D516 IonicContact CZ-OD2 2.69Å; R503-D516 IonicContact NH1-OD2 3.65Å; R503-D516 PolarHBondContact NH1-OD2 3.47Å; K505-D516 WeakPolarHBondContact CE-OD1 3.26Å; K505-D516 IonicContact NZ-OD1 3.6Å; K505-D516 PolarHBondContact NZ-OD1 3.36Å
517	Y	92.6	Very high	92.9	Very high	17 Å²	17	66.7 Å²	66.7	7%	0.067	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-90	131.8	167.9	-178.3	-112.9	0	0	0	110.6	I504 G519 K520 D525 I526 F529	I504-Y517 HydrophobicContact CB-CD1 4.18Å; I504-Y517 HydrophobicContact CB-CG 4.37Å; I504-Y517 HydrophobicContact CD1-CD1 3.74Å; I504-Y517 HydrophobicContact CD1-CE1 4.16Å; I504-Y517 HydrophobicContact CG1-CD1 4.44Å; I504-Y517 WeakPolarHBondContact O-CB 3.2Å; I504-Y517 PolarHBondContact O-N 3.22Å; Y517-G519 WeakPolarHBondContact CE1-O 3.32Å; Y517-G519 VanDerWaalsContact CZ-C 3.49Å; Y517-G519 WeakPolarHBondContact OH-CA 3.45Å; Y517-K520 WeakPolarHBondContact CE1-O 3.39Å; Y517-K520 PolarHBondContact OH-N 3.43Å; Y517-K520 PolarHBondContact OH-O 3.31Å; Y517-D525 VanDerWaalsContact OH-C 3.28Å; Y517-D525 WeakPolarHBondContact OH-CB 3.41Å; Y517-D525 PolarHBondContact OH-O 3.37Å; Y517-I526 HydrophobicContact CE1-CG1 3.93Å; Y517-F529 HydrophobicContact CD2-CB 3.71Å; Y517-F529 AromaticContact CD2-CD1 3.42Å; Y517-F529 HydrophobicContact CD2-CD1 3.42Å; Y517-F529 VanDerWaalsContact CD2-CD1 3.42Å; Y517-F529 AromaticContact CD2-CD2 3.74Å; Y517-F529 HydrophobicContact CD2-CD2 3.74Å; Y517-F529 AromaticContact CD2-CE1 3.85Å; Y517-F529 HydrophobicContact CD2-CE1 3.85Å; Y517-F529 HydrophobicContact CD2-CE2 4.14Å; Y517-F529 AromaticContact CD2-CG 3.34Å; Y517-F529 HydrophobicContact CD2-CG 3.34Å; Y517-F529 HydrophobicContact CD2-CZ 4.17Å; Y517-F529 HydrophobicContact CE2-CB 3.55Å; Y517-F529 HydrophobicContact CE2-CD1 4.12Å; Y517-F529 HydrophobicContact CE2-CD2 4.32Å; Y517-F529 AromaticContact CE2-CG 3.77Å; Y517-F529 HydrophobicContact CE2-CG 3.77Å; Y517-F529 HydrophobicContact CG-CD1 4.1Å; Y517-F529 HydrophobicContact CG-CE1 4.2Å; Y517-F529 HydrophobicContact CG-CG 4.41Å
518	E	88.2	Confident	93	Very high	149 Å²	149	72.6 Å²	72.6	70%	0.696	36%	0.362	S	S	*	.			trans	-121.5	7.4	-179.9	-51.2	-152.5	131.2	0	0	113.6	R503	R503-E518 IonicContact CZ-OE1 3.77Å; R503-E518 IonicContact NH1-OE1 3.75Å; R503-E518 PolarHBondContact NH1-OE1 3.07Å; R503-E518 IonicContact NH2-OE1 2.97Å; R503-E518 PolarHBondContact NH2-OE1 3.33Å
519	G	88.5	Confident	93	Very high	44 Å²	44	73.8 Å²	73.8	45%	0.454	37%	0.366	S	S	.	.	S	Bend	trans	-86.1	-168.7	179.2	0	0	0	0	0	113.7	Y517	Y517-G519 WeakPolarHBondContact CE1-O 3.32Å; Y517-G519 VanDerWaalsContact CZ-C 3.49Å; Y517-G519 WeakPolarHBondContact OH-CA 3.45Å
520	K	89.9	Confident	93.1	Very high	153 Å²	153	69.7 Å²	69.7	67%	0.665	35%	0.348	S	S	*	.			trans	-75	139.7	177	-65.3	175.2	-177.9	170.8	0	110.4	Y517 H522 D525	Y517-K520 WeakPolarHBondContact CE1-O 3.39Å; Y517-K520 PolarHBondContact OH-N 3.43Å; Y517-K520 PolarHBondContact OH-O 3.31Å; K520-H522 PolarHBondContact O-N 3.4Å; K520-D525 HydrophobicContact CB-CB 4.36Å
521	E	88.6	Confident	93.3	Very high	69 Å²	69	64.7 Å²	64.7	32%	0.322	33%	0.325	S	S	.	.	S	Bend	trans	-75.8	61.4	177.1	-60.9	-177.5	163.6	0	0	111.6	I462 I504	I462-E521 HydrophobicContact CD1-CB 4.35Å; I504-E521 HydrophobicContact CD1-CG 4.33Å
522	H	92.1	Very high	93.5	Very high	89 Å²	89	66.2 Å²	66.2	41%	0.412	33%	0.333	S	S	.	.	S	Bend	trans	-131.6	150.2	-180	-171.2	42.4	0	0	0	110.8	E465 K520 D524 D525 I526	E465-H522 WeakPolarHBondContact OE2-CA 3.41Å; E465-H522 IonicContact OE2-CE1 3.92Å; E465-H522 IonicContact OE2-CG 2.7Å; E465-H522 IonicContact OE2-ND1 3.81Å; E465-H522 PolarHBondContact OE2-ND1 2.76Å; K520-H522 PolarHBondContact O-N 3.4Å; H522-D524 PolarHBondContact O-N 2.94Å; H522-D525 IonicContact CD2-OD2 2.97Å; H522-D525 PolarHBondContact O-N 3.23Å; H522-I526 WeakPolarHBondContact O-CG1 3.31Å; H522-I526 PolarHBondContact O-N 2.69Å
523	F	94.6	Very high	93.7	Very high	37 Å²	37	59.7 Å²	59.7	16%	0.162	30%	0.298	C	S	.	.	H	α-helix	trans	-48.2	-53.4	-173.8	173.8	-88.3	0	0	0	112.8	E465 K468 L469 Y472 I526 K527	E465-F523 WeakPolarHBondContact OE2-CA 3.45Å; E465-F523 VanDerWaalsContact OE2-CB 3.26Å; E465-F523 WeakPolarHBondContact OE2-CB 3.13Å; E465-F523 PolarHBondContact OE2-N 3.15Å; K468-F523 HydrophobicContact CB-CD2 3.69Å; K468-F523 HydrophobicContact CB-CE2 4.07Å; L469-F523 HydrophobicContact CD2-CD2 3.67Å; L469-F523 HydrophobicContact CD2-CE2 3.75Å; L469-F523 HydrophobicContact CD2-CG 4.31Å; L469-F523 HydrophobicContact CD2-CZ 4.42Å; L469-F523 HydrophobicContact CG-CD2 3.7Å; L469-F523 HydrophobicContact CG-CE2 4.04Å; Y472-F523 HydrophobicContact CD1-CZ 4.36Å; Y472-F523 AromaticContact CD2-CZ 3.87Å; Y472-F523 HydrophobicContact CD2-CZ 3.87Å; Y472-F523 HydrophobicContact CG-CE2 4.24Å; Y472-F523 AromaticContact CG-CZ 3.77Å; Y472-F523 HydrophobicContact CG-CZ 3.77Å; F523-I526 PolarHBondContact O-N 2.97Å; F523-K527 HydrophobicContact CE1-CD 4.02Å; F523-K527 HydrophobicContact CZ-CD 4.25Å; F523-K527 WeakPolarHBondContact O-CB 3.37Å; F523-K527 PolarHBondContact O-N 2.73Å
524	D	96.7	Very high	93.5	Very high	98 Å²	98	57 Å²	57	52%	0.524	29%	0.285	S	S	.	.	H	α-helix	trans	-64.9	-44	-176.2	-71.5	-38.7	0	0	0	111.6	H522 K527 E528	H522-D524 PolarHBondContact O-N 2.94Å; D524-K527 PolarHBondContact O-N 3.36Å; D524-E528 WeakPolarHBondContact O-CB 3.46Å; D524-E528 PolarHBondContact O-N 3.2Å
525	D	96.2	Very high	93.4	Very high	53 Å²	53	63.4 Å²	63.4	28%	0.283	31%	0.308	S	S	.	.	H	α-helix	trans	-68.2	-37.2	-178.7	-58.4	-89.3	0	0	0	112.1	Y517 K520 H522 F529	Y517-D525 VanDerWaalsContact OH-C 3.28Å; Y517-D525 WeakPolarHBondContact OH-CB 3.41Å; Y517-D525 PolarHBondContact OH-O 3.37Å; K520-D525 HydrophobicContact CB-CB 4.36Å; H522-D525 IonicContact CD2-OD2 2.97Å; H522-D525 PolarHBondContact O-N 3.23Å; D525-F529 PolarHBondContact O-N 3.37Å
526	I	95.8	Very high	93.1	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-74.2	-39.8	177.2	-63.2	163	0	0	0	110.4	I462 F466 L469 I504 Y517 H522 F523 F529 I530	I462-I526 HydrophobicContact CD1-CD1 4.15Å; F466-I526 HydrophobicContact CE1-CD1 4.22Å; F466-I526 HydrophobicContact CE1-CG2 4.46Å; L469-I526 HydrophobicContact CD1-CB 3.81Å; L469-I526 HydrophobicContact CD1-CD1 4.21Å; L469-I526 HydrophobicContact CD1-CG2 3.44Å; L469-I526 VanDerWaalsContact CD1-CG2 3.44Å; I504-I526 HydrophobicContact CD1-CD1 3.73Å; I504-I526 HydrophobicContact CD1-CG1 4.01Å; Y517-I526 HydrophobicContact CE1-CG1 3.93Å; H522-I526 WeakPolarHBondContact O-CG1 3.31Å; H522-I526 PolarHBondContact O-N 2.69Å; F523-I526 PolarHBondContact O-N 2.97Å; I526-F529 WeakPolarHBondContact O-CB 3.08Å; I526-F529 PolarHBondContact O-N 3.32Å; I526-I530 HydrophobicContact CG2-CD1 3.95Å; I526-I530 HydrophobicContact CG2-CG1 4.42Å; I526-I530 WeakPolarHBondContact O-CG1 3.38Å; I526-I530 PolarHBondContact O-N 2.97Å
527	K	96.8	Very high	92.5	Very high	40 Å²	40	65.6 Å²	65.6	17%	0.174	33%	0.325	C	S	.	.	H	α-helix	trans	-59.3	-48.2	175.6	179	-175	172.1	-63.2	0	111.1	L469 Y472 Y473 F523 D524 F529 I530 E531	L469-K527 HydrophobicContact CD2-CB 3.82Å; Y472-K527 HydrophobicContact CE1-CD 4.07Å; Y472-K527 VanDerWaalsContact CE1-CE 3.44Å; Y472-K527 WeakPolarHBondContact OH-CE 3.49Å; Y473-K527 PolarHBondContact OH-O 3.25Å; F523-K527 HydrophobicContact CE1-CD 4.02Å; F523-K527 HydrophobicContact CZ-CD 4.25Å; F523-K527 WeakPolarHBondContact O-CB 3.37Å; F523-K527 PolarHBondContact O-N 2.73Å; D524-K527 PolarHBondContact O-N 3.36Å; K527-F529 VanDerWaalsContact C-N 3.27Å; K527-F529 PolarHBondContact O-N 3.12Å; K527-I530 PolarHBondContact O-N 3.41Å; K527-E531 WeakPolarHBondContact CE-OE1 3.43Å; K527-E531 IonicContact NZ-OE1 3.39Å; K527-E531 PolarHBondContact NZ-OE1 2.8Å; K527-E531 IonicContact NZ-OE2 3.07Å; K527-E531 WeakPolarHBondContact O-CG 3.22Å; K527-E531 PolarHBondContact O-N 3.08Å; K527-E531 VanDerWaalsContact O-N 3.08Å
528	E	96.9	Very high	91	Very high	127 Å²	127	76.5 Å²	76.5	59%	0.593	37%	0.373	S	S	*	.	H	α-helix	trans	-58.7	-41.6	176.7	-177.6	176.6	-178.3	0	0	111.5	D524 E531 T532	D524-E528 WeakPolarHBondContact O-CB 3.46Å; D524-E528 PolarHBondContact O-N 3.2Å; E528-E531 PolarHBondContact O-N 2.78Å; E528-T532 VanDerWaalsContact O-CB 3.31Å; E528-T532 WeakPolarHBondContact O-CB 3.4Å; E528-T532 PolarHBondContact O-N 2.92Å; E528-T532 PolarHBondContact O-OG1 2.98Å
529	F	96	Very high	91.1	Very high	32 Å²	32	72.9 Å²	72.9	14%	0.14	36%	0.357	C	S	.	.	H	α-helix	trans	-61.9	-48.1	176.5	170.7	-113.1	0	0	0	113.1	I506 I515 Y517 D525 I526 K527 E531 T532 V533	I506-F529 HydrophobicContact CB-CE1 3.91Å; I506-F529 HydrophobicContact CB-CZ 4.34Å; I506-F529 HydrophobicContact CG2-CE1 3.51Å; I506-F529 HydrophobicContact CG2-CE2 4.49Å; I506-F529 HydrophobicContact CG2-CZ 3.46Å; I506-F529 VanDerWaalsContact CG2-CZ 3.46Å; I515-F529 HydrophobicContact CB-CZ 4.48Å; I515-F529 HydrophobicContact CG2-CE2 3.97Å; I515-F529 HydrophobicContact CG2-CZ 3.91Å; Y517-F529 HydrophobicContact CD2-CB 3.71Å; Y517-F529 AromaticContact CD2-CD1 3.42Å; Y517-F529 HydrophobicContact CD2-CD1 3.42Å; Y517-F529 VanDerWaalsContact CD2-CD1 3.42Å; Y517-F529 AromaticContact CD2-CD2 3.74Å; Y517-F529 HydrophobicContact CD2-CD2 3.74Å; Y517-F529 AromaticContact CD2-CE1 3.85Å; Y517-F529 HydrophobicContact CD2-CE1 3.85Å; Y517-F529 HydrophobicContact CD2-CE2 4.14Å; Y517-F529 AromaticContact CD2-CG 3.34Å; Y517-F529 HydrophobicContact CD2-CG 3.34Å; Y517-F529 HydrophobicContact CD2-CZ 4.17Å; Y517-F529 HydrophobicContact CE2-CB 3.55Å; Y517-F529 HydrophobicContact CE2-CD1 4.12Å; Y517-F529 HydrophobicContact CE2-CD2 4.32Å; Y517-F529 AromaticContact CE2-CG 3.77Å; Y517-F529 HydrophobicContact CE2-CG 3.77Å; Y517-F529 HydrophobicContact CG-CD1 4.1Å; Y517-F529 HydrophobicContact CG-CE1 4.2Å; Y517-F529 HydrophobicContact CG-CG 4.41Å; D525-F529 PolarHBondContact O-N 3.37Å; I526-F529 WeakPolarHBondContact O-CB 3.08Å; I526-F529 PolarHBondContact O-N 3.32Å; K527-F529 VanDerWaalsContact C-N 3.27Å; K527-F529 PolarHBondContact O-N 3.12Å; F529-E531 VanDerWaalsContact C-N 3.34Å; F529-E531 PolarHBondContact O-N 2.78Å; F529-T532 PolarHBondContact O-N 3.28Å; F529-V533 HydrophobicContact CD2-CG2 3.95Å; F529-V533 HydrophobicContact CE2-CG2 3.59Å; F529-V533 HydrophobicContact CZ-CG2 3.94Å; F529-V533 WeakPolarHBondContact O-CG2 3.43Å; F529-V533 PolarHBondContact O-N 3.32Å
530	I	95.9	Very high	91.3	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-56.7	-50.5	177.7	-67.4	163.4	0	0	0	110	V447 Y473 L481 F483 I506 I526 K527 T532 V533 E534	V447-I530 HydrophobicContact CG2-CD1 3.93Å; V447-I530 HydrophobicContact CG2-CG1 3.91Å; Y473-I530 HydrophobicContact CE2-CD1 3.92Å; L481-I530 HydrophobicContact CD1-CG2 4.41Å; L481-I530 HydrophobicContact CD2-CG2 3.91Å; F483-I530 HydrophobicContact CE1-CD1 3.75Å; F483-I530 HydrophobicContact CZ-CD1 3.83Å; I506-I530 HydrophobicContact CD1-CB 4.36Å; I506-I530 HydrophobicContact CD1-CG1 4.1Å; I506-I530 HydrophobicContact CD1-CG2 4.33Å; I526-I530 HydrophobicContact CG2-CD1 3.95Å; I526-I530 HydrophobicContact CG2-CG1 4.42Å; I526-I530 WeakPolarHBondContact O-CG1 3.38Å; I526-I530 PolarHBondContact O-N 2.97Å; K527-I530 PolarHBondContact O-N 3.41Å; I530-T532 VanDerWaalsContact C-N 3.3Å; I530-T532 PolarHBondContact O-N 2.96Å; I530-V533 PolarHBondContact O-N 3.26Å; I530-E534 WeakPolarHBondContact O-CG 3.3Å; I530-E534 PolarHBondContact O-N 3.18Å
531	E	95.4	Very high	91.3	Very high	47 Å²	47	70 Å²	70	22%	0.22	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-33.5	-179	-69.5	178.4	-169.4	0	0	112.9	K527 E528 F529 R535	K527-E531 WeakPolarHBondContact CE-OE1 3.43Å; K527-E531 IonicContact NZ-OE1 3.39Å; K527-E531 PolarHBondContact NZ-OE1 2.8Å; K527-E531 IonicContact NZ-OE2 3.07Å; K527-E531 WeakPolarHBondContact O-CG 3.22Å; K527-E531 PolarHBondContact O-N 3.08Å; K527-E531 VanDerWaalsContact O-N 3.08Å; E528-E531 PolarHBondContact O-N 2.78Å; F529-E531 VanDerWaalsContact C-N 3.34Å; F529-E531 PolarHBondContact O-N 2.78Å; E531-R535 VanDerWaalsContact O-CG 3.28Å; E531-R535 WeakPolarHBondContact O-CG 3.23Å; E531-R535 PolarHBondContact O-N 2.74Å; E531-R535 IonicContact OE2-NH2 3.48Å; E531-R535 PolarHBondContact OE2-NH2 2.92Å
532	T	95.3	Very high	91.5	Very high	64 Å²	64	70.1 Å²	70.1	39%	0.393	34%	0.335	S	S	.	.	H	α-helix	trans	-69.3	-44.9	177	-62	0	0	0	0	111.4	E528 F529 I530 R535 T536	E528-T532 VanDerWaalsContact O-CB 3.31Å; E528-T532 WeakPolarHBondContact O-CB 3.4Å; E528-T532 PolarHBondContact O-N 2.92Å; E528-T532 PolarHBondContact O-OG1 2.98Å; F529-T532 PolarHBondContact O-N 3.28Å; I530-T532 VanDerWaalsContact C-N 3.3Å; I530-T532 PolarHBondContact O-N 2.96Å; T532-R535 PolarHBondContact O-N 2.77Å; T532-T536 PolarHBondContact O-N 3.21Å; T532-T536 PolarHBondContact O-OG1 3.31Å
533	V	93.8	Very high	91.5	Very high	9 Å²	9	68.9 Å²	68.9	6%	0.055	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-45.5	178.9	165.9	0	0	0	0	111	I506 P508 I515 F529 I530 R535 T536 V537	I506-V533 HydrophobicContact CD1-CB 4.2Å; I506-V533 HydrophobicContact CD1-CG1 4.03Å; I506-V533 HydrophobicContact CG1-CG1 4.46Å; I506-V533 HydrophobicContact CG2-CB 4.32Å; I506-V533 HydrophobicContact CG2-CG1 3.88Å; I506-V533 HydrophobicContact CG2-CG2 4Å; P508-V533 HydrophobicContact CG-CG1 3.75Å; I515-V533 HydrophobicContact CD1-CB 4.45Å; I515-V533 HydrophobicContact CD1-CG1 3.6Å; I515-V533 HydrophobicContact CD1-CG2 4.06Å; I515-V533 HydrophobicContact CG2-CG2 4.28Å; F529-V533 HydrophobicContact CD2-CG2 3.95Å; F529-V533 HydrophobicContact CE2-CG2 3.59Å; F529-V533 HydrophobicContact CZ-CG2 3.94Å; F529-V533 WeakPolarHBondContact O-CG2 3.43Å; F529-V533 PolarHBondContact O-N 3.32Å; I530-V533 PolarHBondContact O-N 3.26Å; V533-R535 VanDerWaalsContact C-N 3.26Å; V533-R535 PolarHBondContact O-N 3.05Å; V533-T536 PolarHBondContact O-N 3.28Å; V533-V537 HydrophobicContact CG1-CG2 4.2Å; V533-V537 PolarHBondContact O-N 3.48Å
534	E	90.1	Very high	91.3	Very high	44 Å²	44	71 Å²	71	21%	0.206	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-25	179.3	-69.8	-168.7	141.2	0	0	114.1	T445 R478 I530	T445-E534 PolarHBondContact OG1-OE1 3.37Å; R478-E534 IonicContact CZ-OE1 3.84Å; R478-E534 IonicContact CZ-OE2 2.74Å; R478-E534 VanDerWaalsContact CZ-OE2 3.23Å; R478-E534 IonicContact NH1-OE2 3.07Å; R478-E534 PolarHBondContact NH1-OE2 3.04Å; R478-E534 IonicContact NH2-OE1 3.41Å; R478-E534 PolarHBondContact NH2-OE1 3.42Å; R478-E534 IonicContact NH2-OE2 3.1Å; R478-E534 PolarHBondContact NH2-OE2 2.99Å; I530-E534 WeakPolarHBondContact O-CG 3.3Å; I530-E534 PolarHBondContact O-N 3.18Å
535	R	90.3	Very high	90.9	Very high	173 Å²	173	69.1 Å²	69.1	65%	0.653	33%	0.328	S	S	*	.	H	α-helix	trans	-77.1	-29.5	172.7	-71.3	173.4	-162.4	155.1	10.3	112.5	E531 T532 V533	E531-R535 VanDerWaalsContact O-CG 3.28Å; E531-R535 WeakPolarHBondContact O-CG 3.23Å; E531-R535 PolarHBondContact O-N 2.74Å; E531-R535 IonicContact OE2-NH2 3.48Å; E531-R535 PolarHBondContact OE2-NH2 2.92Å; T532-R535 PolarHBondContact O-N 2.77Å; V533-R535 VanDerWaalsContact C-N 3.26Å; V533-R535 PolarHBondContact O-N 3.05Å
536	T	88.4	Confident	90.5	Very high	108 Å²	108	70.3 Å²	70.3	66%	0.663	33%	0.332	S	S	*	.	H	α-helix	trans	-91.6	-38.9	-170.1	-51	0	0	0	0	111.8	T532 V533 K538	T532-T536 PolarHBondContact O-N 3.21Å; T532-T536 PolarHBondContact O-OG1 3.31Å; V533-T536 PolarHBondContact O-N 3.28Å; T536-K538 PolarHBondContact O-N 3.48Å
537	V	81.4	Confident	90	Very high	25 Å²	25	76.2 Å²	76.2	15%	0.152	36%	0.359	C	S	.	.			trans	-91.9	101.4	177.7	-173.1	0	0	0	0	107.9	P508 E513 I515 V533	P508-V537 HydrophobicContact CB-CB 4.18Å; P508-V537 HydrophobicContact CB-CG1 3.88Å; P508-V537 HydrophobicContact CG-CB 4.18Å; P508-V537 HydrophobicContact CG-CG1 4.04Å; P508-V537 HydrophobicContact CG-CG2 4.07Å; E513-V537 VanDerWaalsContact OE2-CG2 3.3Å; E513-V537 WeakPolarHBondContact OE2-CG2 3.28Å; I515-V537 HydrophobicContact CD1-CG2 3.83Å; V533-V537 HydrophobicContact CG1-CG2 4.2Å; V533-V537 PolarHBondContact O-N 3.48Å
538	K	60.1	Low	89.4	Confident	245 Å²	245	79.5 Å²	79.5	100%	1.065	38%	0.376	S	S	*	.			trans	-101.9	0	176.6	-80.7	-168.5	-176.4	-178	0	112.1	T536	T536-K538 PolarHBondContact O-N 3.48Å

Retrieved 538 of 538 residues in 1125.2 ms (Link to these results)

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