A0A077YYB9_TRITR Loading...

Metalloendopeptidase

AlphaFold DB , UniProt , Accession A0A077YYB9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 477 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	40.4	Very low	37.3	Very low	209 Å²	209	138.9 Å²	138.9	100%	1.03	66%	0.663	S	S	*	*				0	-55.3	0	-69.4	-164.2	-67.3	0	0	114.3	A3 L4 R5	M1-A3 PolarHBondContact O-N 3.1Å; M1-L4 PolarHBondContact O-N 3.33Å; M1-R5 PolarHBondContact O-N 3.19Å; M1-R5 VanDerWaalsContact O-N 3.13Å
2	K	35.5	Very low	37.1	Very low	185 Å²	185	136.7 Å²	136.7	80%	0.804	66%	0.656	S	S	*	*	H	α-helix	trans	-61.4	-35.3	177	-79.6	-179.3	176.6	177	0	114.5	R6	K2-R6 PolarHBondContact O-N 2.72Å; K2-R6 VanDerWaalsContact O-N 3.15Å
3	A	35.2	Very low	36.9	Very low	76 Å²	76	137.1 Å²	137.1	63%	0.628	65%	0.653	S	S	*	*	H	α-helix	trans	-69	-37	175.8	0	0	0	0	0	113.1	M1 R6 M7	M1-A3 PolarHBondContact O-N 3.1Å; A3-R6 PolarHBondContact O-N 3.05Å; A3-M7 PolarHBondContact O-N 3.15Å
4	L	35.1	Very low	36.8	Very low	118 Å²	118	135.4 Å²	135.4	62%	0.618	65%	0.649	S	S	*	*	H	α-helix	trans	-68.8	-39.9	176.8	-139.1	87.2	0	0	0	111.5	M1 M7 V8	M1-L4 PolarHBondContact O-N 3.33Å; L4-M7 HydrophobicContact CD1-CE 3.8Å; L4-M7 HydrophobicContact CG-CE 4.36Å; L4-M7 PolarHBondContact O-N 2.73Å; L4-V8 WeakPolarHBondContact O-CG2 3.49Å; L4-V8 PolarHBondContact O-N 3.46Å
5	R	36	Very low	36.9	Very low	204 Å²	204	130.1 Å²	130.1	77%	0.77	63%	0.632	S	S	*	*	H	α-helix	trans	-64	-40.4	175.3	-124.3	179.7	-173.7	178.9	1.5	112.2	M1 V8 E9	M1-R5 PolarHBondContact O-N 3.19Å; M1-R5 VanDerWaalsContact O-N 3.13Å; R5-V8 PolarHBondContact O-N 3.36Å; R5-E9 PolarHBondContact O-N 3.23Å
6	R	36.4	Very low	36.8	Very low	174 Å²	174	129.6 Å²	129.6	66%	0.657	63%	0.626	S	S	*	*	H	α-helix	trans	-67.4	-41	173.6	-77.3	-175.9	176.4	-177.7	-1.7	112.1	K2 A3 V8 E9 Y10	K2-R6 PolarHBondContact O-N 2.72Å; K2-R6 VanDerWaalsContact O-N 3.15Å; A3-R6 PolarHBondContact O-N 3.05Å; R6-V8 VanDerWaalsContact C-N 3.32Å; R6-V8 PolarHBondContact O-N 2.79Å; R6-E9 PolarHBondContact O-N 3.34Å; R6-Y10 HydrophobicContact CB-CD2 4.49Å; R6-Y10 WeakPolarHBondContact O-CB 3.39Å; R6-Y10 VanDerWaalsContact O-CD2 3.25Å; R6-Y10 WeakPolarHBondContact O-CD2 3.26Å; R6-Y10 PolarHBondContact O-N 2.63Å
7	M	36.1	Very low	36.6	Very low	115 Å²	115	128.6 Å²	128.6	57%	0.567	62%	0.624	S	S	*	*	H	α-helix	trans	-60.3	-40.8	175.1	-108.7	-168.9	-39.9	0	0	112.6	A3 L4 Y10 T11	A3-M7 PolarHBondContact O-N 3.15Å; L4-M7 HydrophobicContact CD1-CE 3.8Å; L4-M7 HydrophobicContact CG-CE 4.36Å; L4-M7 PolarHBondContact O-N 2.73Å; M7-Y10 PolarHBondContact O-N 2.78Å; M7-T11 PolarHBondContact O-N 3.24Å; M7-T11 PolarHBondContact O-OG1 3.31Å
8	V	38.8	Very low	36.6	Very low	79 Å²	79	126.7 Å²	126.7	48%	0.479	62%	0.616	S	S	.	*	H	α-helix	trans	-68	-40	176.1	174.4	0	0	0	0	111.3	L4 R5 R6 T11 L12	L4-V8 WeakPolarHBondContact O-CG2 3.49Å; L4-V8 PolarHBondContact O-N 3.46Å; R5-V8 PolarHBondContact O-N 3.36Å; R6-V8 VanDerWaalsContact C-N 3.32Å; R6-V8 PolarHBondContact O-N 2.79Å; V8-T11 WeakPolarHBondContact CA-OG1 3.48Å; V8-T11 PolarHBondContact O-OG1 2.94Å; V8-L12 HydrophobicContact CG1-CD1 3.91Å; V8-L12 VanDerWaalsContact O-CB 3.31Å; V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 WeakPolarHBondContact O-CD1 3.46Å; V8-L12 VanDerWaalsContact O-CG 3.29Å; V8-L12 WeakPolarHBondContact O-CG 3.35Å; V8-L12 PolarHBondContact O-N 2.91Å
9	E	37.8	Very low	36.7	Very low	117 Å²	117	123.7 Å²	123.7	55%	0.547	60%	0.603	S	S	.	*	H	α-helix	trans	-65.2	-37.1	172.1	-83.7	-178.3	148.2	0	0	113.2	R5 R6 K13	R5-E9 PolarHBondContact O-N 3.23Å; R6-E9 PolarHBondContact O-N 3.34Å; E9-K13 WeakPolarHBondContact O-CB 3.18Å; E9-K13 VanDerWaalsContact O-CG 3.31Å; E9-K13 WeakPolarHBondContact O-CG 3.13Å; E9-K13 PolarHBondContact O-N 2.87Å
10	Y	39.1	Very low	36.6	Very low	158 Å²	158	123.2 Å²	123.2	62%	0.62	60%	0.602	S	S	*	*	H	α-helix	trans	-75.2	-36.2	178.6	-90.9	-81.2	0	0	0	112.5	R6 M7 K13 L14	R6-Y10 HydrophobicContact CB-CD2 4.49Å; R6-Y10 WeakPolarHBondContact O-CB 3.39Å; R6-Y10 VanDerWaalsContact O-CD2 3.25Å; R6-Y10 WeakPolarHBondContact O-CD2 3.26Å; R6-Y10 PolarHBondContact O-N 2.63Å; M7-Y10 PolarHBondContact O-N 2.78Å; Y10-K13 PolarHBondContact O-N 3.15Å; Y10-L14 WeakPolarHBondContact O-CB 3.35Å; Y10-L14 PolarHBondContact O-N 2.99Å
11	T	39.6	Very low	36.5	Very low	93 Å²	93	121.7 Å²	121.7	57%	0.571	60%	0.596	S	S	*	*	H	α-helix	trans	-68.8	-39.9	172.7	34.5	0	0	0	0	111.5	M7 V8 L14 S15	M7-T11 PolarHBondContact O-N 3.24Å; M7-T11 PolarHBondContact O-OG1 3.31Å; V8-T11 WeakPolarHBondContact CA-OG1 3.48Å; V8-T11 PolarHBondContact O-OG1 2.94Å; T11-L14 PolarHBondContact O-N 3.37Å; T11-S15 PolarHBondContact O-N 3.02Å; T11-S15 PolarHBondContact O-OG 3.49Å
12	L	34.9	Very low	36.5	Very low	112 Å²	112	113.1 Å²	113.1	59%	0.586	56%	0.557	S	S	*	*	H	α-helix	trans	-63.3	-39.1	172	-76.6	164.9	0	0	0	112.4	V8 S15 F16	V8-L12 HydrophobicContact CG1-CD1 3.91Å; V8-L12 VanDerWaalsContact O-CB 3.31Å; V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 WeakPolarHBondContact O-CD1 3.46Å; V8-L12 VanDerWaalsContact O-CG 3.29Å; V8-L12 WeakPolarHBondContact O-CG 3.35Å; V8-L12 PolarHBondContact O-N 2.91Å; L12-S15 VanDerWaalsContact C-OG 3.29Å; L12-S15 VanDerWaalsContact CA-OG 3.28Å; L12-S15 WeakPolarHBondContact CA-OG 3.48Å; L12-S15 PolarHBondContact O-OG 2.98Å; L12-F16 WeakPolarHBondContact O-CB 3.49Å; L12-F16 PolarHBondContact O-N 2.76Å
13	K	35.5	Very low	36.7	Very low	142 Å²	142	107.8 Å²	107.8	62%	0.617	55%	0.547	S	S	*	.	H	α-helix	trans	-71.2	-34.2	175	-79.9	178.4	176.2	-179.7	0	113.5	E9 Y10 F16 L17	E9-K13 WeakPolarHBondContact O-CB 3.18Å; E9-K13 VanDerWaalsContact O-CG 3.31Å; E9-K13 WeakPolarHBondContact O-CG 3.13Å; E9-K13 PolarHBondContact O-N 2.87Å; Y10-K13 PolarHBondContact O-N 3.15Å; K13-F16 PolarHBondContact O-N 2.96Å; K13-L17 PolarHBondContact O-N 3.16Å
14	L	35.6	Very low	36.9	Very low	113 Å²	113	106.8 Å²	106.8	59%	0.592	54%	0.54	S	S	*	.	H	α-helix	trans	-69.5	-38.3	174.2	-115.9	85.1	0	0	0	111.8	Y10 T11 F16 L17 L18	Y10-L14 WeakPolarHBondContact O-CB 3.35Å; Y10-L14 PolarHBondContact O-N 2.99Å; T11-L14 PolarHBondContact O-N 3.37Å; L14-F16 VanDerWaalsContact C-N 3.28Å; L14-F16 PolarHBondContact O-N 3.17Å; L14-L17 PolarHBondContact O-N 2.84Å; L14-L18 PolarHBondContact O-N 3.5Å
15	S	38.4	Very low	37.5	Very low	57 Å²	57	109.4 Å²	109.4	40%	0.399	55%	0.546	S	S	.	.	H	α-helix	trans	-64.2	-34.1	171.4	41.8	0	0	0	0	112.1	T11 L12 L18 L19	T11-S15 PolarHBondContact O-N 3.02Å; T11-S15 PolarHBondContact O-OG 3.49Å; L12-S15 VanDerWaalsContact C-OG 3.29Å; L12-S15 VanDerWaalsContact CA-OG 3.28Å; L12-S15 WeakPolarHBondContact CA-OG 3.48Å; L12-S15 PolarHBondContact O-OG 2.98Å; S15-L18 PolarHBondContact O-N 3.14Å; S15-L19 PolarHBondContact O-N 3.26Å
16	F	34.4	Very low	38.3	Very low	121 Å²	121	101.5 Å²	101.5	53%	0.531	52%	0.521	S	S	.	.	H	α-helix	trans	-72.2	-32.8	174.9	-146.5	-98.4	0	0	0	112.7	L12 K13 L14 L19 I20	L12-F16 WeakPolarHBondContact O-CB 3.49Å; L12-F16 PolarHBondContact O-N 2.76Å; K13-F16 PolarHBondContact O-N 2.96Å; L14-F16 VanDerWaalsContact C-N 3.28Å; L14-F16 PolarHBondContact O-N 3.17Å; F16-L19 HydrophobicContact CD2-CD1 4.46Å; F16-L19 WeakPolarHBondContact O-CB 3.49Å; F16-L19 PolarHBondContact O-N 3.05Å; F16-I20 HydrophobicContact CD1-CD1 4.2Å; F16-I20 HydrophobicContact CE1-CD1 4.49Å; F16-I20 WeakPolarHBondContact O-CG1 3.3Å; F16-I20 PolarHBondContact O-N 3.36Å
17	L	34.1	Very low	39.1	Very low	113 Å²	113	99.2 Å²	99.2	59%	0.592	52%	0.518	S	S	*	.	H	α-helix	trans	-73	-28.8	174.6	-134.5	87.3	0	0	0	112.7	K13 L14	K13-L17 PolarHBondContact O-N 3.16Å; L14-L17 PolarHBondContact O-N 2.84Å
18	L	36.5	Very low	39.8	Very low	94 Å²	94	102.6 Å²	102.6	49%	0.492	53%	0.533	S	S	.	.	H	α-helix	trans	-70.8	-31.3	172.4	-87.5	154.3	0	0	0	112.4	L14 S15 L21 K243	L14-L18 PolarHBondContact O-N 3.5Å; S15-L18 PolarHBondContact O-N 3.14Å; L18-L21 PolarHBondContact O-N 3.28Å; L18-K243 HydrophobicContact CD2-CD 4.23Å
19	L	37.4	Very low	40.3	Very low	70 Å²	70	102 Å²	102	37%	0.366	53%	0.531	S	S	.	.	H	α-helix	trans	-68.5	-32.8	173.1	-86.5	152.6	0	0	0	113	S15 F16 L21 S22	S15-L19 PolarHBondContact O-N 3.26Å; F16-L19 HydrophobicContact CD2-CD1 4.46Å; F16-L19 WeakPolarHBondContact O-CB 3.49Å; F16-L19 PolarHBondContact O-N 3.05Å; L19-L21 PolarHBondContact O-N 3.12Å; L19-S22 PolarHBondContact O-OG 3.49Å
20	I	35.4	Very low	40.6	Very low	114 Å²	114	98.3 Å²	98.3	59%	0.585	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-10.5	179.6	-62.6	167.1	0	0	0	112.4	F16	F16-I20 HydrophobicContact CD1-CD1 4.2Å; F16-I20 HydrophobicContact CE1-CD1 4.49Å; F16-I20 WeakPolarHBondContact O-CG1 3.3Å; F16-I20 PolarHBondContact O-N 3.36Å
21	L	34.5	Very low	41.3	Very low	91 Å²	91	98.9 Å²	98.9	48%	0.476	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	15.1	-178.2	-76.5	163.3	0	0	0	113.6	L18 L19 K243	L18-L21 PolarHBondContact O-N 3.28Å; L19-L21 PolarHBondContact O-N 3.12Å; L21-K243 PolarHBondContact O-NZ 3.31Å
22	S	41.1	Very low	41.7	Very low	30 Å²	30	100.4 Å²	100.4	21%	0.21	53%	0.526	C	S	.	.	S	Bend	trans	-84.7	-31.4	169.1	54.4	0	0	0	0	112.2	L19 A24	L19-S22 PolarHBondContact O-OG 3.49Å; S22-A24 PolarHBondContact O-N 2.82Å
23	A	38.9	Very low	42.1	Very low	72 Å²	72	102.2 Å²	102.2	60%	0.595	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-3.2	-179.7	0	0	0	0	0	115.3
24	A	38.7	Very low	42.5	Very low	56 Å²	56	102.6 Å²	102.6	46%	0.463	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-9.3	-165.4	0	0	0	0	0	116.1	S22	S22-A24 PolarHBondContact O-N 2.82Å
25	F	47.8	Very low	42.8	Very low	173 Å²	173	98.5 Å²	98.5	76%	0.759	52%	0.523	S	S	*	.			trans	-148.2	71.2	-178.9	-70.9	-79.1	0	0	0	111.5
26	C	54.4	Low	42.8	Very low	37 Å²	37	98 Å²	98	25%	0.25	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-74.2	132.2	154.9	-55.2	0	0	0	0	107.1	E28 C80 R82	C26-E28 PolarHBondContact O-N 3.22Å; C26-C80 WeakPolarHBondContact CA-SG 3.36Å; C26-C80 HydrophobicContact CB-CB 3.79Å; C26-C80 WeakPolarHBondContact CB-SG 3.47Å; C26-C80 WeakPolarHBondContact SG-CA 3.43Å; C26-C80 WeakPolarHBondContact SG-CB 3.35Å; C26-C80 CovalentContact SG-SG 2.05Å; C26-C80 PolarHBondContact SG-SG 2.87Å; C26-R82 PolarHBondContact SG-NH2 3.21Å
27	E	51.8	Low	43.2	Very low	126 Å²	126	95.8 Å²	95.8	59%	0.589	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-60.3	138.6	169.1	-78.9	-179.2	169.1	0	0	108.5	R238	E27-R238 WeakPolarHBondContact OE1-CD 3.41Å; E27-R238 IonicContact OE1-CZ 3.61Å; E27-R238 IonicContact OE1-NE 3.69Å; E27-R238 IonicContact OE1-NH1 3.74Å; E27-R238 PolarHBondContact OE1-NH1 3.31Å
28	E	51.8	Low	43.4	Very low	187 Å²	187	97.5 Å²	97.5	87%	0.874	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-61.8	128.8	173.2	-75.1	-177.1	164.9	0	0	107.9	C26	C26-E28 PolarHBondContact O-N 3.22Å
29	P	48.4	Very low	43.4	Very low	67 Å²	67	100.3 Å²	100.3	44%	0.435	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-60.8	140.6	174.3	25.8	-31.8	0	0	0	108.2	V51	P29-V51 HydrophobicContact CB-CG2 3.81Å
30	P	45.4	Very low	43.5	Very low	39 Å²	39	105.5 Å²	105.5	25%	0.253	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-60.6	158.3	174.8	28.6	-34.4	0	0	0	110.1	E34	P30-E34 HydrophobicContact CB-CB 3.88Å; P30-E34 WeakPolarHBondContact CB-OE2 3.44Å; P30-E34 HydrophobicContact CG-CB 4.06Å
31	E	53.3	Low	43.7	Very low	170 Å²	170	107.7 Å²	107.7	79%	0.794	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-51.4	149.6	-179	-71.9	-175.8	162.7	0	0	111.2	D33 E34	E31-D33 PolarHBondContact O-N 3.43Å; E31-E34 PolarHBondContact O-N 3.4Å
32	E	48.7	Very low	44.3	Very low	125 Å²	125	106.6 Å²	106.6	58%	0.584	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.7	-24.8	-166.1	-76.5	-175.6	158.3	0	0	115.4
33	D	42.7	Very low	44.8	Very low	149 Å²	149	107.9 Å²	107.9	80%	0.797	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-19.3	-178.6	-66.5	-25.9	0	0	0	114.6	E31	E31-D33 PolarHBondContact O-N 3.43Å
34	E	43.6	Very low	46.2	Very low	150 Å²	150	108.5 Å²	108.5	70%	0.701	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-13.4	-178.2	-70.1	-169.2	173.8	0	0	114.1	P30 E31 A36	P30-E34 HydrophobicContact CB-CB 3.88Å; P30-E34 WeakPolarHBondContact CB-OE2 3.44Å; P30-E34 HydrophobicContact CG-CB 4.06Å; E31-E34 PolarHBondContact O-N 3.4Å; E34-A36 PolarHBondContact O-N 3.17Å
35	A	41.2	Very low	48	Very low	28 Å²	28	112.5 Å²	112.5	23%	0.231	58%	0.58	C	S	.	*	S	Bend	trans	-76.1	-4.7	174.6	0	0	0	0	0	113.2	Y92	A35-Y92 HydrophobicContact CB-CE1 4.4Å
36	A	39.8	Very low	49.5	Very low	47 Å²	47	109.1 Å²	109.1	39%	0.388	57%	0.565	S	S	.	*	S	Bend	trans	-91	107.7	-178.8	0	0	0	0	0	111.2	E34	E34-A36 PolarHBondContact O-N 3.17Å
37	D	41.5	Very low	50.9	Low	74 Å²	74	108.2 Å²	108.2	40%	0.396	56%	0.557	S	S	.	*			trans	68.7	92.1	166.3	-80.8	-9.3	0	0	0	118.5	H39 S93	D37-H39 VanDerWaalsContact CG-CD2 3.43Å; D37-H39 PolarHBondContact O-N 3.39Å; D37-H39 VanDerWaalsContact O-N 3.08Å; D37-H39 IonicContact OD2-CD2 3.72Å; D37-H39 PolarHBondContact OD2-CD2 2.87Å; D37-H39 VanDerWaalsContact OD2-CD2 3.24Å; D37-H39 IonicContact OD2-NE2 2.83Å; D37-S93 PolarHBondContact OD1-OG 3.47Å
38	D	39.5	Very low	52.3	Low	149 Å²	149	104.1 Å²	104.1	80%	0.797	54%	0.541	S	S	*	.			trans	-73.4	89.2	151.5	-109.8	-18.4	0	0	0	109.5
39	H	35.9	Very low	53.4	Low	153 Å²	153	100.3 Å²	100.3	71%	0.708	52%	0.523	S	S	*	.			trans	-97.5	11	-175.6	-111.5	-45.9	0	0	0	115.9	D37	D37-H39 VanDerWaalsContact CG-CD2 3.43Å; D37-H39 PolarHBondContact O-N 3.39Å; D37-H39 VanDerWaalsContact O-N 3.08Å; D37-H39 IonicContact OD2-CD2 3.72Å; D37-H39 PolarHBondContact OD2-CD2 2.87Å; D37-H39 VanDerWaalsContact OD2-CD2 3.24Å; D37-H39 IonicContact OD2-NE2 2.83Å
40	E	39.5	Very low	55	Low	178 Å²	178	97.4 Å²	97.4	83%	0.832	51%	0.505	S	S	*	.	S	Bend	trans	-108.5	-13.3	-176.3	-100.2	-174.4	164.7	0	0	117.6
41	N	38.6	Very low	57.1	Low	160 Å²	160	96.2 Å²	96.2	86%	0.856	50%	0.497	S	S	*	.	S	Bend	trans	-146.3	66.4	-176.8	-80.3	-51.2	0	0	0	115.3
42	G	48.5	Very low	59	Low	68 Å²	68	88.1 Å²	88.1	70%	0.701	46%	0.459	S	S	*	.			trans	71.6	153.1	170.4	0	0	0	0	0	114	D44	G42-D44 PolarHBondContact O-N 2.88Å
43	F	52	Low	61.3	Low	58 Å²	58	82.5 Å²	82.5	25%	0.254	43%	0.433	S	S	.	.			trans	-71.3	122.5	-179.5	175.8	-98.2	0	0	0	110.8	W45 H94 R112 K114	F43-W45 HydrophobicContact CD1-CD2 4.14Å; F43-W45 AromaticContact CD1-CE2 3.98Å; F43-W45 HydrophobicContact CD1-CG 4.44Å; F43-W45 HydrophobicContact CD1-CZ2 4.29Å; F43-W45 AromaticContact CE1-CD2 3.64Å; F43-W45 HydrophobicContact CE1-CD2 3.64Å; F43-W45 AromaticContact CE1-CE2 3.92Å; F43-W45 AromaticContact CE1-CE3 3.71Å; F43-W45 HydrophobicContact CE1-CE3 3.71Å; F43-W45 HydrophobicContact CE1-CG 4.08Å; F43-W45 HydrophobicContact CE1-CH2 4.3Å; F43-W45 HydrophobicContact CE1-CZ2 4.25Å; F43-W45 HydrophobicContact CE1-CZ3 4.04Å; F43-H94 AromaticContact CE2-CD2 3.92Å; F43-H94 AromaticContact CE2-NE2 3.45Å; F43-H94 WeakPolarHBondContact CE2-NE2 3.27Å; F43-R112 WeakPolarHBondContact CE1-O 3.2Å; F43-R112 VanDerWaalsContact CE2-NH1 3.33Å; F43-R112 HydrophobicContact CZ-CG 4.22Å; F43-R112 VanDerWaalsContact CZ-O 3.25Å; F43-R112 WeakPolarHBondContact CZ-O 3.19Å; F43-K114 HydrophobicContact CB-CD 4.5Å; F43-K114 HydrophobicContact CB-CG 4.43Å; F43-K114 HydrophobicContact CD1-CB 3.91Å; F43-K114 HydrophobicContact CD1-CG 4.18Å; F43-K114 HydrophobicContact CD2-CB 4.15Å; F43-K114 HydrophobicContact CD2-CG 4.01Å; F43-K114 HydrophobicContact CE1-CB 3.81Å; F43-K114 VanDerWaalsContact CE2-CA 3.41Å; F43-K114 HydrophobicContact CE2-CB 4.09Å; F43-K114 HydrophobicContact CE2-CG 4.41Å; F43-K114 HydrophobicContact CG-CB 4.09Å; F43-K114 HydrophobicContact CG-CD 4.37Å; F43-K114 HydrophobicContact CG-CG 3.91Å; F43-K114 HydrophobicContact CZ-CB 3.92Å
44	D	66.9	Low	63.9	Low	84 Å²	84	76.1 Å²	76.1	45%	0.449	40%	0.398	S	S	.	.			trans	-91.2	131.8	171	-158.6	-13.1	0	0	0	111.6	G42 F46 R112	G42-D44 PolarHBondContact O-N 2.88Å; D44-F46 VanDerWaalsContact C-N 3.28Å; D44-F46 WeakPolarHBondContact OD1-CD2 3.45Å; D44-F46 PolarHBondContact OD1-N 2.89Å; D44-R112 PolarHBondContact O-NH1 3.43Å; D44-R112 VanDerWaalsContact O-NH1 3.12Å
45	W	76.5	Confident	66.3	Low	140 Å²	140	71.7 Å²	71.7	53%	0.53	38%	0.378	S	S	.	.	S	Bend	trans	-79.8	-12.8	175.5	-61.9	92.1	0	0	0	112.1	F43 R112	F43-W45 HydrophobicContact CD1-CD2 4.14Å; F43-W45 AromaticContact CD1-CE2 3.98Å; F43-W45 HydrophobicContact CD1-CG 4.44Å; F43-W45 HydrophobicContact CD1-CZ2 4.29Å; F43-W45 AromaticContact CE1-CD2 3.64Å; F43-W45 HydrophobicContact CE1-CD2 3.64Å; F43-W45 AromaticContact CE1-CE2 3.92Å; F43-W45 AromaticContact CE1-CE3 3.71Å; F43-W45 HydrophobicContact CE1-CE3 3.71Å; F43-W45 HydrophobicContact CE1-CG 4.08Å; F43-W45 HydrophobicContact CE1-CH2 4.3Å; F43-W45 HydrophobicContact CE1-CZ2 4.25Å; F43-W45 HydrophobicContact CE1-CZ3 4.04Å; W45-R112 WeakPolarHBondContact O-CB 3.49Å; W45-R112 PolarHBondContact O-N 2.9Å
46	F	79.1	Confident	68.8	Low	103 Å²	103	71.9 Å²	71.9	45%	0.452	37%	0.374	S	S	.	.	S	Bend	trans	-81.8	156.1	170.4	-60	-67.7	0	0	0	111.5	D44 R112	D44-F46 VanDerWaalsContact C-N 3.28Å; D44-F46 WeakPolarHBondContact OD1-CD2 3.45Å; D44-F46 PolarHBondContact OD1-N 2.89Å; F46-R112 WeakPolarHBondContact O-CD 3.41Å
47	W	84.7	Confident	71.4	Confident	18 Å²	18	72.8 Å²	72.8	7%	0.068	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-84	123.8	175.5	-67.3	90.1	0	0	0	109.4	H49 G50 I52 R112 S118 V140	W47-H49 PolarHBondContact O-N 2.95Å; W47-G50 PolarHBondContact O-N 3.16Å; W47-I52 HydrophobicContact CB-CG1 4.12Å; W47-I52 HydrophobicContact CD2-CB 4.34Å; W47-I52 HydrophobicContact CD2-CD1 4.36Å; W47-I52 HydrophobicContact CD2-CG1 3.75Å; W47-I52 HydrophobicContact CD2-CG2 4.23Å; W47-I52 HydrophobicContact CE3-CB 4.36Å; W47-I52 HydrophobicContact CE3-CG1 4.2Å; W47-I52 HydrophobicContact CE3-CG2 4.24Å; W47-I52 HydrophobicContact CG-CD1 4.13Å; W47-I52 HydrophobicContact CG-CG1 3.69Å; W47-I52 HydrophobicContact CH2-CG2 4.08Å; W47-I52 HydrophobicContact CZ2-CG2 4.05Å; W47-I52 HydrophobicContact CZ3-CG2 4.17Å; W47-R112 HydrophobicContact CD2-CB 4Å; W47-R112 HydrophobicContact CD2-CG 4.27Å; W47-R112 HydrophobicContact CE3-CB 4.46Å; W47-R112 HydrophobicContact CE3-CG 4.22Å; W47-R112 HydrophobicContact CG-CB 4.36Å; W47-R112 HydrophobicContact CH2-CG 4.3Å; W47-R112 HydrophobicContact CZ2-CB 4.12Å; W47-R112 HydrophobicContact CZ2-CG 4.35Å; W47-R112 HydrophobicContact CZ3-CG 4.23Å; W47-S118 VanDerWaalsContact CZ2-OG 3.31Å; W47-S118 WeakPolarHBondContact CZ2-OG 3.45Å; W47-V140 HydrophobicContact CZ2-CG1 3.8Å; W47-V140 PolarHBondContact NE1-O 3.32Å
48	P	80	Confident	73.7	Confident	39 Å²	39	70.5 Å²	70.5	25%	0.253	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-53.3	126.9	178.3	-26.9	35	0	0	0	111.4	G50 V51	P48-G50 PolarHBondContact O-N 3.47Å; P48-V51 PolarHBondContact O-N 3.04Å
49	H	76.6	Confident	75.6	Confident	108 Å²	108	68.1 Å²	68.1	50%	0.5	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	55.3	22.4	-179.7	-50.6	-78	0	0	0	114.9	W47 V51	W47-H49 PolarHBondContact O-N 2.95Å; H49-V51 HydrophobicContact CB-CG2 4.27Å; H49-V51 PolarHBondContact O-N 2.91Å; H49-V51 VanDerWaalsContact O-N 3.17Å
50	G	82	Confident	77.8	Confident	6 Å²	6	65.9 Å²	65.9	6%	0.062	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	67.1	12.9	-176.1	0	0	0	0	0	114.1	W47 P48 V81 R82 D233	W47-G50 PolarHBondContact O-N 3.16Å; P48-G50 PolarHBondContact O-N 3.47Å; G50-V81 CarbonylContact O-C 3.15Å; G50-V81 WeakPolarHBondContact O-CA 3.04Å; G50-R82 PolarHBondContact O-N 3.4Å; G50-D233 PolarHBondContact N-OD1 3.09Å; G50-D233 VanDerWaalsContact N-OD1 3.13Å
51	V	89.4	Confident	79.3	Confident	13 Å²	13	62.7 Å²	62.7	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.9	-178.8	-177.4	0	0	0	0	110.5	P29 P48 H49 P53 R82	P29-V51 HydrophobicContact CB-CG2 3.81Å; P48-V51 PolarHBondContact O-N 3.04Å; H49-V51 HydrophobicContact CB-CG2 4.27Å; H49-V51 PolarHBondContact O-N 2.91Å; H49-V51 VanDerWaalsContact O-N 3.17Å; V51-P53 WeakPolarHBondContact O-CD 3.43Å; V51-R82 CarbonylContact C-O 3.54Å; V51-R82 WeakPolarHBondContact CA-O 3.43Å; V51-R82 HydrophobicContact CG2-CB 4.42Å
52	I	93.3	Very high	80.7	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	95.2	-178.8	-51.8	-177.3	0	0	0	108.9	W47 V81 R82 F83 T84 L96 V140 I141	W47-I52 HydrophobicContact CB-CG1 4.12Å; W47-I52 HydrophobicContact CD2-CB 4.34Å; W47-I52 HydrophobicContact CD2-CD1 4.36Å; W47-I52 HydrophobicContact CD2-CG1 3.75Å; W47-I52 HydrophobicContact CD2-CG2 4.23Å; W47-I52 HydrophobicContact CE3-CB 4.36Å; W47-I52 HydrophobicContact CE3-CG1 4.2Å; W47-I52 HydrophobicContact CE3-CG2 4.24Å; W47-I52 HydrophobicContact CG-CD1 4.13Å; W47-I52 HydrophobicContact CG-CG1 3.69Å; W47-I52 HydrophobicContact CH2-CG2 4.08Å; W47-I52 HydrophobicContact CZ2-CG2 4.05Å; W47-I52 HydrophobicContact CZ3-CG2 4.17Å; I52-V81 HydrophobicContact CD1-CG1 3.77Å; I52-V81 HydrophobicContact CG1-CG1 4.23Å; I52-R82 PolarHBondContact N-O 2.02Å; I52-F83 HydrophobicContact CB-CD1 3.8Å; I52-F83 HydrophobicContact CB-CE1 3.92Å; I52-F83 HydrophobicContact CD1-CE1 3.82Å; I52-F83 HydrophobicContact CD1-CZ 4.22Å; I52-F83 HydrophobicContact CG1-CE1 4.36Å; I52-F83 HydrophobicContact CG2-CD1 4.08Å; I52-F83 HydrophobicContact CG2-CE1 4.05Å; I52-F83 WeakPolarHBondContact O-CA 3.47Å; I52-T84 PolarHBondContact O-N 3.25Å; I52-T84 VanDerWaalsContact O-N 3.12Å; I52-L96 HydrophobicContact CG2-CB 3.79Å; I52-L96 HydrophobicContact CG2-CD2 4.15Å; I52-V140 HydrophobicContact CD1-CG1 4.29Å; I52-V140 HydrophobicContact CG2-CG1 4.33Å; I52-I141 HydrophobicContact CD1-CG1 4.08Å
53	P	96	Very high	82	Confident	6 Å²	6	62.7 Å²	62.7	4%	0.039	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	138.2	169.7	-17.2	30.4	0	0	0	109.8	V51 T84 L86 Y92 Y95 L96	V51-P53 WeakPolarHBondContact O-CD 3.43Å; P53-T84 CarbonylContact C-O 3.53Å; P53-T84 VanDerWaalsContact CA-O 3.22Å; P53-T84 WeakPolarHBondContact CA-O 3.47Å; P53-L86 HydrophobicContact CB-CD2 3.77Å; P53-L86 HydrophobicContact CB-CG 4.46Å; P53-Y92 HydrophobicContact CB-CD1 4.01Å; P53-Y92 HydrophobicContact CB-CD2 3.65Å; P53-Y92 HydrophobicContact CB-CE1 4.32Å; P53-Y92 HydrophobicContact CB-CE2 3.95Å; P53-Y92 HydrophobicContact CB-CG 3.65Å; P53-Y92 HydrophobicContact CG-CD1 3.29Å; P53-Y92 HydrophobicContact CG-CD2 3.89Å; P53-Y92 HydrophobicContact CG-CE1 3.53Å; P53-Y92 HydrophobicContact CG-CE2 4.08Å; P53-Y92 HydrophobicContact CG-CG 3.47Å; P53-Y92 VanDerWaalsContact CG-CG 3.47Å; P53-Y95 CarbonylContact O-C 3.46Å; P53-Y95 WeakPolarHBondContact O-CA 3.5Å; P53-Y95 WeakPolarHBondContact O-CB 3.48Å; P53-L96 PolarHBondContact O-N 3.22Å
54	Y	96.9	Very high	83.6	Confident	15 Å²	15	60.5 Å²	60.5	6%	0.059	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	154.8	-176.2	79.4	-83	0	0	0	115	I56 E69 M72 F83 T84 R85 L86 L96 I98	Y54-I56 HydrophobicContact CD2-CG1 4.04Å; Y54-I56 HydrophobicContact CE2-CD1 4.01Å; Y54-I56 HydrophobicContact CE2-CG1 3.88Å; Y54-E69 PolarHBondContact OH-OE1 3.28Å; Y54-M72 HydrophobicContact CD1-CE 4.17Å; Y54-M72 HydrophobicContact CD1-SD 4.26Å; Y54-M72 HydrophobicContact CD2-CE 3.7Å; Y54-M72 HydrophobicContact CD2-SD 4.31Å; Y54-M72 HydrophobicContact CE1-CE 4.35Å; Y54-M72 HydrophobicContact CE1-SD 3.9Å; Y54-M72 HydrophobicContact CE2-CE 3.91Å; Y54-M72 HydrophobicContact CE2-SD 3.96Å; Y54-M72 HydrophobicContact CG-CE 3.84Å; Y54-M72 HydrophobicContact CG-SD 4.45Å; Y54-F83 HydrophobicContact CD1-CB 3.82Å; Y54-F83 HydrophobicContact CD1-CD1 4.46Å; Y54-F83 HydrophobicContact CE1-CB 3.78Å; Y54-T84 WeakPolarHBondContact CD1-O 3.47Å; Y54-T84 PolarHBondContact N-O 3.32Å; Y54-R85 HydrophobicContact CE1-CB 3.83Å; Y54-R85 HydrophobicContact CE1-CG 4.37Å; Y54-R85 HydrophobicContact CE2-CB 4.38Å; Y54-R85 HydrophobicContact CE2-CG 4.03Å; Y54-L86 WeakPolarHBondContact O-CG 3.35Å; Y54-L86 PolarHBondContact O-N 3.34Å; Y54-L96 CarbonylContact C-O 3.04Å; Y54-L96 WeakPolarHBondContact CA-O 3.38Å; Y54-I98 HydrophobicContact CD2-CD1 4.27Å
55	E	95	Very high	84.7	Confident	58 Å²	58	57.4 Å²	57.4	27%	0.271	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	157.6	166.4	62	174.3	-174	0	0	111	L86 Y95 L96 S97 I98	E55-L86 HydrophobicContact CB-CD1 4.21Å; E55-Y95 HydrophobicContact CG-CD2 4.24Å; E55-Y95 HydrophobicContact CG-CE2 4.04Å; E55-Y95 WeakPolarHBondContact OE1-CE2 3.26Å; E55-L96 PolarHBondContact N-O 3.46Å; E55-S97 WeakPolarHBondContact OE1-CB 3.27Å; E55-S97 PolarHBondContact OE1-OG 3.03Å; E55-I98 PolarHBondContact O-N 3.15Å
56	I	94.1	Very high	85.5	Confident	32 Å²	32	57.7 Å²	57.7	16%	0.164	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.3	174.1	-54.8	176.9	0	0	0	108.5	Y54 I68	Y54-I56 HydrophobicContact CD2-CG1 4.04Å; Y54-I56 HydrophobicContact CE2-CD1 4.01Å; Y54-I56 HydrophobicContact CE2-CG1 3.88Å; I56-I68 HydrophobicContact CD1-CB 4.22Å; I56-I68 HydrophobicContact CD1-CD1 4.07Å; I56-I68 HydrophobicContact CD1-CG2 4.08Å; I56-I68 HydrophobicContact CG1-CD1 4.46Å; I56-I68 HydrophobicContact CG2-CD1 3.92Å
57	I	93.1	Very high	86.2	Confident	66 Å²	66	54.6 Å²	54.6	34%	0.338	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	99.8	176.5	-59.6	177	0	0	0	108	S97 I98 H99 V100	I57-S97 WeakPolarHBondContact CD1-OG 2.92Å; I57-I98 PolarHBondContact N-O 3.23Å; I57-H99 WeakPolarHBondContact O-CA 3.42Å; I57-V100 PolarHBondContact O-N 2.93Å
58	D	89.8	Confident	86.7	Confident	25 Å²	25	53.8 Å²	53.8	13%	0.134	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115.9	172.1	-173.6	-40.3	0	0	0	110.3	K60 S61 T64 V100 R124	D58-K60 PolarHBondContact O-N 3.07Å; D58-K60 WeakPolarHBondContact OD1-CA 3.45Å; D58-K60 PolarHBondContact OD1-N 2.93Å; D58-S61 PolarHBondContact O-N 2.95Å; D58-S61 PolarHBondContact OD1-N 3.32Å; D58-T64 WeakPolarHBondContact OD2-CG2 3.18Å; D58-T64 PolarHBondContact OD2-OG1 2.85Å; D58-T64 VanDerWaalsContact OD2-OG1 3.11Å; D58-V100 HydrophobicContact CB-CB 4.32Å; D58-R124 VanDerWaalsContact CG-NH2 3.29Å; D58-R124 IonicContact OD1-CZ 2.82Å; D58-R124 IonicContact OD1-NH1 2.63Å; D58-R124 IonicContact OD1-NH2 2.85Å; D58-R124 PolarHBondContact OD1-NH2 2.93Å; D58-R124 IonicContact OD2-CZ 3.75Å; D58-R124 IonicContact OD2-NH1 3.45Å; D58-R124 PolarHBondContact OD2-NH1 3.47Å; D58-R124 IonicContact OD2-NH2 3.59Å; D58-R124 PolarHBondContact OD2-NH2 3.15Å
59	T	79.1	Confident	87.5	Confident	100 Å²	100	55.2 Å²	55.2	61%	0.613	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-13.3	-177.1	58.2	0	0	0	0	115.4
60	K	81.7	Confident	88.5	Confident	106 Å²	106	53.1 Å²	53.1	46%	0.461	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-2.6	178.6	-69.2	-168.2	174.6	169.6	0	113.3	D58 N62 D102	D58-K60 PolarHBondContact O-N 3.07Å; D58-K60 WeakPolarHBondContact OD1-CA 3.45Å; D58-K60 PolarHBondContact OD1-N 2.93Å; K60-N62 PolarHBondContact O-N 3.3Å; K60-D102 WeakPolarHBondContact CE-OD2 3.46Å; K60-D102 IonicContact NZ-OD1 3.53Å; K60-D102 PolarHBondContact NZ-OD1 2.89Å; K60-D102 IonicContact NZ-OD2 2.73Å; K60-D102 PolarHBondContact NZ-OD2 3.24Å
61	S	71.4	Confident	89.2	Confident	111 Å²	111	52.8 Å²	52.8	78%	0.776	29%	0.285	S	S	*	.			trans	52.2	25.1	-174.5	-52.7	0	0	0	0	113.6	D58	D58-S61 PolarHBondContact O-N 2.95Å; D58-S61 PolarHBondContact OD1-N 3.32Å
62	N	69.2	Low	89.6	Confident	99 Å²	99	52.4 Å²	52.4	53%	0.529	28%	0.283	S	S	.	.			trans	-73.1	134.6	164	-80.3	4.2	0	0	0	106.3	K60 T64	K60-N62 PolarHBondContact O-N 3.3Å; N62-T64 PolarHBondContact O-N 2.88Å
63	D	75	Confident	89.7	Confident	128 Å²	128	54.7 Å²	54.7	68%	0.684	30%	0.302	S	S	*	.			trans	-69.9	84.9	179.2	-169	10.4	0	0	0	110.5	S65	D63-S65 VanDerWaalsContact C-N 3.26Å; D63-S65 WeakPolarHBondContact OD1-CB 3.37Å; D63-S65 PolarHBondContact OD1-N 3.48Å; D63-S65 PolarHBondContact OD1-OG 2.88Å
64	T	86.5	Confident	89.7	Confident	13 Å²	13	58.1 Å²	58.1	8%	0.08	32%	0.319	C	S	.	.			trans	-88.9	3	172.9	58.4	0	0	0	0	112.1	D58 N62 E66 V67 V100 L128	D58-T64 WeakPolarHBondContact OD2-CG2 3.18Å; D58-T64 PolarHBondContact OD2-OG1 2.85Å; D58-T64 VanDerWaalsContact OD2-OG1 3.11Å; N62-T64 PolarHBondContact O-N 2.88Å; T64-E66 VanDerWaalsContact C-N 3.27Å; T64-E66 PolarHBondContact O-N 3.1Å; T64-V67 WeakPolarHBondContact O-CG1 2.88Å; T64-V100 HydrophobicContact CG2-CG1 4.33Å; T64-L128 HydrophobicContact CG2-CD2 3.66Å
65	S	89.3	Confident	89.6	Confident	18 Å²	18	57.4 Å²	57.4	13%	0.126	32%	0.317	C	S	.	.	H	α-helix	trans	-61.2	-41.3	-177.5	-37.8	0	0	0	0	110	D63 V67 I68 E69	D63-S65 VanDerWaalsContact C-N 3.26Å; D63-S65 WeakPolarHBondContact OD1-CB 3.37Å; D63-S65 PolarHBondContact OD1-N 3.48Å; D63-S65 PolarHBondContact OD1-OG 2.88Å; S65-V67 PolarHBondContact O-N 3.13Å; S65-I68 PolarHBondContact O-N 2.83Å; S65-I68 VanDerWaalsContact O-N 3.13Å; S65-E69 VanDerWaalsContact O-CB 3.3Å; S65-E69 WeakPolarHBondContact O-CB 3.48Å; S65-E69 VanDerWaalsContact O-CG 3.3Å; S65-E69 WeakPolarHBondContact O-CG 3.39Å; S65-E69 PolarHBondContact O-N 3.22Å
66	E	92.3	Very high	89.5	Confident	146 Å²	146	57.4 Å²	57.4	68%	0.682	32%	0.317	S	S	*	.	H	α-helix	trans	-52.1	-49.5	-176.7	-173.9	-177.1	-171.4	0	0	113.3	T64 T70	T64-E66 VanDerWaalsContact C-N 3.27Å; T64-E66 PolarHBondContact O-N 3.1Å; E66-T70 VanDerWaalsContact O-CB 3.26Å; E66-T70 WeakPolarHBondContact O-CB 3.08Å; E66-T70 PolarHBondContact O-N 2.86Å; E66-T70 PolarHBondContact O-OG1 3.12Å
67	V	94.5	Very high	89.5	Confident	39 Å²	39	61.2 Å²	61.2	24%	0.236	34%	0.337	C	S	.	.	H	α-helix	trans	-73.7	-31.9	-177.3	61.2	0	0	0	0	112.9	T64 S65 A71 L128 V130 I133	T64-V67 WeakPolarHBondContact O-CG1 2.88Å; S65-V67 PolarHBondContact O-N 3.13Å; V67-A71 PolarHBondContact O-N 2.7Å; V67-L128 HydrophobicContact CG1-CD1 3.76Å; V67-L128 HydrophobicContact CG1-CD2 3.83Å; V67-L128 HydrophobicContact CG1-CG 3.54Å; V67-V130 HydrophobicContact CG2-CG2 4.2Å; V67-I133 HydrophobicContact CG2-CD1 4.06Å
68	I	96.3	Very high	89.2	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-70.2	-49.6	175.4	-65.1	167.3	0	0	0	109.7	I56 S65 T70 A71 M72 I98 V100 L122 L128 I133	I56-I68 HydrophobicContact CD1-CB 4.22Å; I56-I68 HydrophobicContact CD1-CD1 4.07Å; I56-I68 HydrophobicContact CD1-CG2 4.08Å; I56-I68 HydrophobicContact CG1-CD1 4.46Å; I56-I68 HydrophobicContact CG2-CD1 3.92Å; S65-I68 PolarHBondContact O-N 2.83Å; S65-I68 VanDerWaalsContact O-N 3.13Å; I68-T70 VanDerWaalsContact C-N 3.28Å; I68-T70 PolarHBondContact O-N 3.11Å; I68-A71 WeakPolarHBondContact O-CB 3.06Å; I68-A71 PolarHBondContact O-N 3.33Å; I68-A71 VanDerWaalsContact O-N 3.11Å; I68-M72 HydrophobicContact CG2-CE 3.73Å; I68-M72 HydrophobicContact CG2-SD 4.17Å; I68-M72 WeakPolarHBondContact O-CG 3.32Å; I68-M72 PolarHBondContact O-N 2.95Å; I68-I98 HydrophobicContact CD1-CG2 4.04Å; I68-I98 HydrophobicContact CG2-CD1 3.83Å; I68-V100 HydrophobicContact CD1-CG2 3.91Å; I68-L122 HydrophobicContact CD1-CD1 4.28Å; I68-L122 HydrophobicContact CG1-CD1 4.27Å; I68-L128 HydrophobicContact CD1-CD1 4.32Å; I68-L128 HydrophobicContact CG1-CD1 4.14Å; I68-I133 HydrophobicContact CG1-CD1 4.07Å
69	E	96.1	Very high	89.1	Confident	69 Å²	69	61.2 Å²	61.2	32%	0.322	34%	0.335	S	S	.	.	H	α-helix	trans	-65.9	-31.8	179.7	-69.2	173.3	-178.9	0	0	111.3	Y54 S65 M72 A73 R85	Y54-E69 PolarHBondContact OH-OE1 3.28Å; S65-E69 VanDerWaalsContact O-CB 3.3Å; S65-E69 WeakPolarHBondContact O-CB 3.48Å; S65-E69 VanDerWaalsContact O-CG 3.3Å; S65-E69 WeakPolarHBondContact O-CG 3.39Å; S65-E69 PolarHBondContact O-N 3.22Å; E69-M72 PolarHBondContact O-N 2.6Å; E69-A73 VanDerWaalsContact O-CB 3.31Å; E69-A73 WeakPolarHBondContact O-CB 3.44Å; E69-A73 PolarHBondContact O-N 3.19Å; E69-R85 IonicContact OE1-NE 2.95Å
70	T	96.4	Very high	89.3	Confident	64 Å²	64	56.8 Å²	56.8	39%	0.393	31%	0.308	S	S	.	.	H	α-helix	trans	-62	-44.8	170.4	-63.5	0	0	0	0	111.8	E66 I68 A73 L74 V130	E66-T70 VanDerWaalsContact O-CB 3.26Å; E66-T70 WeakPolarHBondContact O-CB 3.08Å; E66-T70 PolarHBondContact O-N 2.86Å; E66-T70 PolarHBondContact O-OG1 3.12Å; I68-T70 VanDerWaalsContact C-N 3.28Å; I68-T70 PolarHBondContact O-N 3.11Å; T70-A73 PolarHBondContact O-N 3.29Å; T70-L74 WeakPolarHBondContact O-CG 3.46Å; T70-L74 PolarHBondContact O-N 3.49Å; T70-V130 HydrophobicContact CG2-CG2 4.22Å
71	A	97.3	Very high	89.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.3	-40.7	177.3	0	0	0	0	0	111.7	V67 I68 L74 M75 V130 I133 L134	V67-A71 PolarHBondContact O-N 2.7Å; I68-A71 WeakPolarHBondContact O-CB 3.06Å; I68-A71 PolarHBondContact O-N 3.33Å; I68-A71 VanDerWaalsContact O-N 3.11Å; A71-L74 PolarHBondContact O-N 3.37Å; A71-M75 PolarHBondContact O-N 2.75Å; A71-M75 VanDerWaalsContact O-N 3.12Å; A71-V130 HydrophobicContact CB-CG1 4.19Å; A71-I133 HydrophobicContact CB-CB 3.77Å; A71-I133 HydrophobicContact CB-CG2 3.55Å; A71-L134 HydrophobicContact CB-CD2 4.41Å; A71-L134 HydrophobicContact CB-CG 4.29Å; A71-L134 VanDerWaalsContact O-CD2 3.26Å; A71-L134 WeakPolarHBondContact O-CD2 3.34Å
72	M	97.4	Very high	90.7	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.02	27%	0.265	C	S	.	.	H	α-helix	trans	-59.5	-47.5	172.7	-70.4	172.2	172.8	0	0	111.1	Y54 I68 E69 L74 M75 Q76 F83 I98 L137	Y54-M72 HydrophobicContact CD1-CE 4.17Å; Y54-M72 HydrophobicContact CD1-SD 4.26Å; Y54-M72 HydrophobicContact CD2-CE 3.7Å; Y54-M72 HydrophobicContact CD2-SD 4.31Å; Y54-M72 HydrophobicContact CE1-CE 4.35Å; Y54-M72 HydrophobicContact CE1-SD 3.9Å; Y54-M72 HydrophobicContact CE2-CE 3.91Å; Y54-M72 HydrophobicContact CE2-SD 3.96Å; Y54-M72 HydrophobicContact CG-CE 3.84Å; Y54-M72 HydrophobicContact CG-SD 4.45Å; I68-M72 HydrophobicContact CG2-CE 3.73Å; I68-M72 HydrophobicContact CG2-SD 4.17Å; I68-M72 WeakPolarHBondContact O-CG 3.32Å; I68-M72 PolarHBondContact O-N 2.95Å; E69-M72 PolarHBondContact O-N 2.6Å; M72-L74 VanDerWaalsContact C-N 3.31Å; M72-L74 PolarHBondContact O-N 2.95Å; M72-M75 WeakPolarHBondContact O-CB 3.34Å; M72-M75 PolarHBondContact O-N 2.85Å; M72-M75 VanDerWaalsContact O-N 3.09Å; M72-Q76 VanDerWaalsContact O-CG 3.28Å; M72-Q76 WeakPolarHBondContact O-CG 3.23Å; M72-Q76 PolarHBondContact O-N 3.39Å; M72-F83 HydrophobicContact CB-CB 4.5Å; M72-F83 HydrophobicContact CB-CD2 3.61Å; M72-F83 HydrophobicContact CB-CE2 4Å; M72-F83 HydrophobicContact CB-CG 4.09Å; M72-F83 HydrophobicContact CE-CD1 4.01Å; M72-F83 HydrophobicContact CE-CE1 4.38Å; M72-F83 HydrophobicContact CE-CG 4.41Å; M72-F83 HydrophobicContact CG-CB 4.44Å; M72-F83 HydrophobicContact CG-CD1 4.16Å; M72-F83 HydrophobicContact CG-CD2 3.75Å; M72-F83 HydrophobicContact CG-CE1 4.36Å; M72-F83 HydrophobicContact CG-CE2 3.97Å; M72-F83 HydrophobicContact CG-CG 3.85Å; M72-F83 HydrophobicContact CG-CZ 4.27Å; M72-F83 HydrophobicContact SD-CB 4.05Å; M72-F83 HydrophobicContact SD-CD1 4.18Å; M72-F83 HydrophobicContact SD-CD2 4.44Å; M72-F83 HydrophobicContact SD-CG 3.97Å; M72-I98 HydrophobicContact CE-CD1 3.27Å; M72-L137 HydrophobicContact CG-CD1 3.95Å
73	A	96.8	Very high	91.9	Very high	50 Å²	50	46.6 Å²	46.6	41%	0.413	24%	0.244	S	C	.	.	H	α-helix	trans	-58.5	-41.4	178.7	0	0	0	0	0	112.5	E69 T70 Q76 N77	E69-A73 VanDerWaalsContact O-CB 3.31Å; E69-A73 WeakPolarHBondContact O-CB 3.44Å; E69-A73 PolarHBondContact O-N 3.19Å; T70-A73 PolarHBondContact O-N 3.29Å; A73-Q76 PolarHBondContact O-N 3.04Å; A73-N77 WeakPolarHBondContact O-CB 3.42Å; A73-N77 PolarHBondContact O-N 3.18Å
74	L	96	Very high	92.8	Very high	77 Å²	77	42.4 Å²	42.4	40%	0.403	22%	0.223	S	C	.	.	H	α-helix	trans	-61.2	-44.3	174.2	-73.1	169.3	0	0	0	112	T70 A71 M72 N77 E78 V130	T70-L74 WeakPolarHBondContact O-CG 3.46Å; T70-L74 PolarHBondContact O-N 3.49Å; A71-L74 PolarHBondContact O-N 3.37Å; M72-L74 VanDerWaalsContact C-N 3.31Å; M72-L74 PolarHBondContact O-N 2.95Å; L74-N77 PolarHBondContact O-N 3.1Å; L74-E78 WeakPolarHBondContact O-CG 3.26Å; L74-E78 PolarHBondContact O-N 3.4Å; L74-V130 HydrophobicContact CD1-CG1 3.46Å; L74-V130 VanDerWaalsContact CD1-CG1 3.46Å
75	M	94.2	Very high	93.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-41.9	177.3	-179	170.9	-83.1	0	0	112.2	A71 M72 N77 E78 T79 V81 F83 L134 L137 M138 I141 L221	A71-M75 PolarHBondContact O-N 2.75Å; A71-M75 VanDerWaalsContact O-N 3.12Å; M72-M75 WeakPolarHBondContact O-CB 3.34Å; M72-M75 PolarHBondContact O-N 2.85Å; M72-M75 VanDerWaalsContact O-N 3.09Å; M75-N77 VanDerWaalsContact C-N 3.27Å; M75-N77 PolarHBondContact O-N 2.8Å; M75-E78 PolarHBondContact O-N 3.41Å; M75-T79 WeakPolarHBondContact O-CB 3.5Å; M75-T79 PolarHBondContact O-N 3.27Å; M75-T79 PolarHBondContact O-OG1 3.05Å; M75-V81 HydrophobicContact SD-CG1 4.49Å; M75-F83 HydrophobicContact CB-CE2 4.34Å; M75-F83 HydrophobicContact CG-CE2 4.26Å; M75-F83 HydrophobicContact SD-CE2 3.87Å; M75-F83 HydrophobicContact SD-CZ 3.72Å; M75-L134 HydrophobicContact CB-CD2 3.99Å; M75-L134 HydrophobicContact CE-CD2 4.11Å; M75-L137 HydrophobicContact CE-CB 3.59Å; M75-L137 HydrophobicContact CE-CD1 4.49Å; M75-L137 HydrophobicContact SD-CB 3.83Å; M75-L137 HydrophobicContact SD-CD1 4.22Å; M75-M138 HydrophobicContact CE-CG 4.25Å; M75-M138 HydrophobicContact CE-SD 4.37Å; M75-I141 HydrophobicContact CE-CD1 3.81Å; M75-I141 HydrophobicContact SD-CD1 3.49Å; M75-I141 WeakPolarHBondContact SD-CD1 3.47Å; M75-L221 HydrophobicContact CB-CD1 4.46Å; M75-L221 HydrophobicContact CE-CD1 4.23Å; M75-L221 HydrophobicContact CE-CD2 4.33Å; M75-L221 HydrophobicContact CG-CD1 4.37Å
76	Q	93.4	Very high	93.4	Very high	58 Å²	58	49.3 Å²	49.3	27%	0.271	25%	0.247	S	C	.	.	H	α-helix	trans	-65.8	-28.8	176.7	-64.5	-180	140	0	0	112.9	M72 A73 V81 R82 F83	M72-Q76 VanDerWaalsContact O-CG 3.28Å; M72-Q76 WeakPolarHBondContact O-CG 3.23Å; M72-Q76 PolarHBondContact O-N 3.39Å; A73-Q76 PolarHBondContact O-N 3.04Å; Q76-V81 WeakPolarHBondContact CG-O 3.31Å; Q76-R82 PolarHBondContact O-NH1 3.02Å; Q76-R82 VanDerWaalsContact O-NH1 3.11Å; Q76-F83 HydrophobicContact CG-CD2 3.79Å; Q76-F83 HydrophobicContact CG-CE2 4.33Å
77	N	92.9	Very high	93.2	Very high	113 Å²	113	46.3 Å²	46.3	60%	0.604	24%	0.236	S	C	*	.	H	α-helix	trans	-74.1	-32.4	178	-173.7	68.4	0	0	0	112.5	A73 L74 M75	A73-N77 WeakPolarHBondContact O-CB 3.42Å; A73-N77 PolarHBondContact O-N 3.18Å; L74-N77 PolarHBondContact O-N 3.1Å; M75-N77 VanDerWaalsContact C-N 3.27Å; M75-N77 PolarHBondContact O-N 2.8Å
78	E	88	Confident	92.6	Very high	86 Å²	86	55.2 Å²	55.2	40%	0.402	27%	0.271	S	S	.	.	H	α-helix	trans	-96.6	-14.9	-176.3	-59.2	-60.7	145.6	0	0	113.1	L74 M75 I226	L74-E78 WeakPolarHBondContact O-CG 3.26Å; L74-E78 PolarHBondContact O-N 3.4Å; M75-E78 PolarHBondContact O-N 3.41Å; E78-I226 HydrophobicContact CB-CD1 3.85Å; E78-I226 HydrophobicContact CB-CG1 3.99Å; E78-I226 HydrophobicContact CG-CD1 4.2Å; E78-I226 VanDerWaalsContact O-CG2 3.25Å; E78-I226 WeakPolarHBondContact O-CG2 3.45Å
79	T	86.7	Confident	91.8	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.025	31%	0.306	C	S	.	.	S	Bend	trans	-140.1	169.9	-173.4	72.7	0	0	0	0	112.8	M75 V81 R82 I226 V229 E230	M75-T79 WeakPolarHBondContact O-CB 3.5Å; M75-T79 PolarHBondContact O-N 3.27Å; M75-T79 PolarHBondContact O-OG1 3.05Å; T79-V81 VanDerWaalsContact C-N 3.3Å; T79-V81 PolarHBondContact O-N 3.2Å; T79-V81 PolarHBondContact OG1-N 3.47Å; T79-R82 PolarHBondContact O-NH1 3.11Å; T79-I226 HydrophobicContact CG2-CG2 4.37Å; T79-V229 HydrophobicContact CG2-CB 4Å; T79-V229 HydrophobicContact CG2-CG1 3.9Å; T79-V229 HydrophobicContact CG2-CG2 4.31Å; T79-E230 WeakPolarHBondContact CA-OE1 3.24Å
80	C	83.4	Confident	91.1	Very high	7 Å²	7	58.7 Å²	58.7	5%	0.047	30%	0.303	C	S	.	.	S	Bend	trans	-78.9	-2.3	172.3	-67.5	0	0	0	0	116.1	C26 R82 E230 D233	C26-C80 WeakPolarHBondContact CA-SG 3.36Å; C26-C80 HydrophobicContact CB-CB 3.79Å; C26-C80 WeakPolarHBondContact CB-SG 3.47Å; C26-C80 WeakPolarHBondContact SG-CA 3.43Å; C26-C80 WeakPolarHBondContact SG-CB 3.35Å; C26-C80 CovalentContact SG-SG 2.05Å; C26-C80 PolarHBondContact SG-SG 2.87Å; C80-R82 PolarHBondContact O-N 3.46Å; C80-R82 PolarHBondContact O-NH1 3.38Å; C80-E230 PolarHBondContact N-OE1 3.08Å; C80-D233 WeakPolarHBondContact CB-OD2 3.31Å
81	V	90.5	Very high	90.4	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.024	32%	0.32	C	S	.	.			trans	-62.7	138.8	175.3	175.3	0	0	0	0	110.5	G50 I52 M75 Q76 T79 F83 I141 V229	G50-V81 CarbonylContact O-C 3.15Å; G50-V81 WeakPolarHBondContact O-CA 3.04Å; I52-V81 HydrophobicContact CD1-CG1 3.77Å; I52-V81 HydrophobicContact CG1-CG1 4.23Å; M75-V81 HydrophobicContact SD-CG1 4.49Å; Q76-V81 WeakPolarHBondContact CG-O 3.31Å; T79-V81 VanDerWaalsContact C-N 3.3Å; T79-V81 PolarHBondContact O-N 3.2Å; T79-V81 PolarHBondContact OG1-N 3.47Å; V81-F83 HydrophobicContact CG1-CD2 4.39Å; V81-F83 HydrophobicContact CG1-CE1 4.47Å; V81-F83 HydrophobicContact CG1-CE2 3.77Å; V81-F83 HydrophobicContact CG1-CZ 3.82Å; V81-I141 HydrophobicContact CG2-CD1 3.87Å; V81-I141 HydrophobicContact CG2-CG1 4.16Å; V81-V229 HydrophobicContact CG2-CG1 3.63Å
82	R	92.2	Very high	89.8	Confident	79 Å²	79	62.5 Å²	62.5	30%	0.298	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.8	177.4	-61.4	-64	173.8	-100.9	3.1	110.4	C26 G50 V51 I52 Q76 T79 C80	C26-R82 PolarHBondContact SG-NH2 3.21Å; G50-R82 PolarHBondContact O-N 3.4Å; V51-R82 CarbonylContact C-O 3.54Å; V51-R82 WeakPolarHBondContact CA-O 3.43Å; V51-R82 HydrophobicContact CG2-CB 4.42Å; I52-R82 PolarHBondContact N-O 2.02Å; Q76-R82 PolarHBondContact O-NH1 3.02Å; Q76-R82 VanDerWaalsContact O-NH1 3.11Å; T79-R82 PolarHBondContact O-NH1 3.11Å; C80-R82 PolarHBondContact O-N 3.46Å; C80-R82 PolarHBondContact O-NH1 3.38Å
83	F	94.6	Very high	89.3	Confident	20 Å²	20	64.7 Å²	64.7	9%	0.088	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.5	178.3	-65.8	-82.3	0	0	0	110.4	I52 Y54 M72 M75 Q76 V81 L137	I52-F83 HydrophobicContact CB-CD1 3.8Å; I52-F83 HydrophobicContact CB-CE1 3.92Å; I52-F83 HydrophobicContact CD1-CE1 3.82Å; I52-F83 HydrophobicContact CD1-CZ 4.22Å; I52-F83 HydrophobicContact CG1-CE1 4.36Å; I52-F83 HydrophobicContact CG2-CD1 4.08Å; I52-F83 HydrophobicContact CG2-CE1 4.05Å; I52-F83 WeakPolarHBondContact O-CA 3.47Å; Y54-F83 HydrophobicContact CD1-CB 3.82Å; Y54-F83 HydrophobicContact CD1-CD1 4.46Å; Y54-F83 HydrophobicContact CE1-CB 3.78Å; M72-F83 HydrophobicContact CB-CB 4.5Å; M72-F83 HydrophobicContact CB-CD2 3.61Å; M72-F83 HydrophobicContact CB-CE2 4Å; M72-F83 HydrophobicContact CB-CG 4.09Å; M72-F83 HydrophobicContact CE-CD1 4.01Å; M72-F83 HydrophobicContact CE-CE1 4.38Å; M72-F83 HydrophobicContact CE-CG 4.41Å; M72-F83 HydrophobicContact CG-CB 4.44Å; M72-F83 HydrophobicContact CG-CD1 4.16Å; M72-F83 HydrophobicContact CG-CD2 3.75Å; M72-F83 HydrophobicContact CG-CE1 4.36Å; M72-F83 HydrophobicContact CG-CE2 3.97Å; M72-F83 HydrophobicContact CG-CG 3.85Å; M72-F83 HydrophobicContact CG-CZ 4.27Å; M72-F83 HydrophobicContact SD-CB 4.05Å; M72-F83 HydrophobicContact SD-CD1 4.18Å; M72-F83 HydrophobicContact SD-CD2 4.44Å; M72-F83 HydrophobicContact SD-CG 3.97Å; M75-F83 HydrophobicContact CB-CE2 4.34Å; M75-F83 HydrophobicContact CG-CE2 4.26Å; M75-F83 HydrophobicContact SD-CE2 3.87Å; M75-F83 HydrophobicContact SD-CZ 3.72Å; Q76-F83 HydrophobicContact CG-CD2 3.79Å; Q76-F83 HydrophobicContact CG-CE2 4.33Å; V81-F83 HydrophobicContact CG1-CD2 4.39Å; V81-F83 HydrophobicContact CG1-CE1 4.47Å; V81-F83 HydrophobicContact CG1-CE2 3.77Å; V81-F83 HydrophobicContact CG1-CZ 3.82Å; F83-L137 HydrophobicContact CE1-CD2 3.91Å; F83-L137 HydrophobicContact CE2-CD1 4.45Å; F83-L137 HydrophobicContact CZ-CD1 3.96Å; F83-L137 HydrophobicContact CZ-CD2 4.01Å; F83-L137 HydrophobicContact CZ-CG 4.4Å
84	T	94	Very high	89.1	Confident	39 Å²	39	63.6 Å²	63.6	24%	0.239	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.7	180	-56.1	0	0	0	0	109.8	I52 P53 Y54 L86	I52-T84 PolarHBondContact O-N 3.25Å; I52-T84 VanDerWaalsContact O-N 3.12Å; P53-T84 CarbonylContact C-O 3.53Å; P53-T84 VanDerWaalsContact CA-O 3.22Å; P53-T84 WeakPolarHBondContact CA-O 3.47Å; Y54-T84 WeakPolarHBondContact CD1-O 3.47Å; Y54-T84 PolarHBondContact N-O 3.32Å; T84-L86 PolarHBondContact O-N 2.93Å
85	R	94.4	Very high	89.1	Confident	135 Å²	135	62.7 Å²	62.7	51%	0.509	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	126	-178.7	-163.7	171.8	-166.6	-118	6.2	110.3	Y54 E69	Y54-R85 HydrophobicContact CE1-CB 3.83Å; Y54-R85 HydrophobicContact CE1-CG 4.37Å; Y54-R85 HydrophobicContact CE2-CB 4.38Å; Y54-R85 HydrophobicContact CE2-CG 4.03Å; E69-R85 IonicContact OE1-NE 2.95Å
86	L	93.4	Very high	89.2	Confident	41 Å²	41	62.7 Å²	62.7	22%	0.215	32%	0.321	C	S	.	.			trans	-65.3	139.2	177.7	-65.3	180	0	0	0	111.2	P53 Y54 E55 T84 Y92 Y95	P53-L86 HydrophobicContact CB-CD2 3.77Å; P53-L86 HydrophobicContact CB-CG 4.46Å; Y54-L86 WeakPolarHBondContact O-CG 3.35Å; Y54-L86 PolarHBondContact O-N 3.34Å; E55-L86 HydrophobicContact CB-CD1 4.21Å; T84-L86 PolarHBondContact O-N 2.93Å; L86-Y92 HydrophobicContact CD2-CD2 3.35Å; L86-Y92 HydrophobicContact CD2-CE2 4Å; L86-Y92 HydrophobicContact CD2-CG 4.24Å; L86-Y95 HydrophobicContact CD1-CD1 4.39Å; L86-Y95 HydrophobicContact CD1-CD2 3.63Å; L86-Y95 HydrophobicContact CD1-CE2 4.24Å; L86-Y95 HydrophobicContact CD1-CG 3.71Å
87	N	88.7	Confident	89.4	Confident	84 Å²	84	60.1 Å²	60.1	45%	0.449	31%	0.31	S	S	.	.			trans	-122.4	174.8	172	66.5	50.1	0	0	0	110.1	S89 S90	N87-S89 PolarHBondContact O-N 3.14Å; N87-S89 VanDerWaalsContact O-N 3.1Å; N87-S89 WeakPolarHBondContact OD1-CA 3.47Å; N87-S89 PolarHBondContact OD1-N 3.16Å; N87-S89 PolarHBondContact OD1-OG 3.17Å; N87-S90 VanDerWaalsContact CG-OG 3.3Å; N87-S90 PolarHBondContact N-OG 3.47Å; N87-S90 WeakPolarHBondContact O-CB 3.47Å; N87-S90 PolarHBondContact O-N 3.23Å; N87-S90 PolarHBondContact O-OG 3.14Å; N87-S90 PolarHBondContact OD1-N 2.74Å; N87-S90 PolarHBondContact OD1-OG 3.09Å
88	K	81.2	Confident	89.6	Confident	225 Å²	225	54.9 Å²	54.9	98%	0.978	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.5	-176.6	-71.2	-175.9	179.1	179.1	0	114.3
89	S	81.1	Confident	90	Very high	104 Å²	104	52.5 Å²	52.5	73%	0.727	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-7	178.5	34.8	0	0	0	0	113.5	N87 S91	N87-S89 PolarHBondContact O-N 3.14Å; N87-S89 VanDerWaalsContact O-N 3.1Å; N87-S89 WeakPolarHBondContact OD1-CA 3.47Å; N87-S89 PolarHBondContact OD1-N 3.16Å; N87-S89 PolarHBondContact OD1-OG 3.17Å; S89-S91 PolarHBondContact O-N 3.5Å
90	S	80.9	Confident	90.4	Very high	38 Å²	38	52.3 Å²	52.3	27%	0.266	27%	0.269	S	S	.	.			trans	-67.5	131.9	-177.8	-60.6	0	0	0	0	111.8	N87	N87-S90 VanDerWaalsContact CG-OG 3.3Å; N87-S90 PolarHBondContact N-OG 3.47Å; N87-S90 WeakPolarHBondContact O-CB 3.47Å; N87-S90 PolarHBondContact O-N 3.23Å; N87-S90 PolarHBondContact O-OG 3.14Å; N87-S90 PolarHBondContact OD1-N 2.74Å; N87-S90 PolarHBondContact OD1-OG 3.09Å
91	S	80.9	Confident	90.8	Very high	107 Å²	107	52.9 Å²	52.9	75%	0.748	27%	0.273	S	S	*	.			trans	-117.9	50.4	-178	178.3	0	0	0	0	112	S89	S89-S91 PolarHBondContact O-N 3.5Å
92	Y	85.2	Confident	90.8	Very high	37 Å²	37	56.3 Å²	56.3	15%	0.145	29%	0.291	C	S	.	.			trans	-84.6	123.6	176.4	-68	-80	0	0	0	111.2	A35 P53 L86 H94	A35-Y92 HydrophobicContact CB-CE1 4.4Å; P53-Y92 HydrophobicContact CB-CD1 4.01Å; P53-Y92 HydrophobicContact CB-CD2 3.65Å; P53-Y92 HydrophobicContact CB-CE1 4.32Å; P53-Y92 HydrophobicContact CB-CE2 3.95Å; P53-Y92 HydrophobicContact CB-CG 3.65Å; P53-Y92 HydrophobicContact CG-CD1 3.29Å; P53-Y92 HydrophobicContact CG-CD2 3.89Å; P53-Y92 HydrophobicContact CG-CE1 3.53Å; P53-Y92 HydrophobicContact CG-CE2 4.08Å; P53-Y92 HydrophobicContact CG-CG 3.47Å; P53-Y92 VanDerWaalsContact CG-CG 3.47Å; L86-Y92 HydrophobicContact CD2-CD2 3.35Å; L86-Y92 HydrophobicContact CD2-CE2 4Å; L86-Y92 HydrophobicContact CD2-CG 4.24Å; Y92-H94 PolarHBondContact O-N 2.71Å
93	S	87.8	Confident	90.7	Very high	51 Å²	51	54.5 Å²	54.5	36%	0.357	30%	0.296	S	S	.	.	S	Bend	trans	-67.8	-24.8	173.1	68.7	0	0	0	0	112.1	D37 G116	D37-S93 PolarHBondContact OD1-OG 3.47Å; S93-G116 VanDerWaalsContact O-CA 3.27Å; S93-G116 WeakPolarHBondContact O-CA 3.46Å
94	H	92.1	Very high	90.4	Very high	27 Å²	27	59.3 Å²	59.3	13%	0.125	32%	0.322	C	S	.	.	S	Bend	trans	-132.6	132	179.4	-66.4	66.1	0	0	0	112.2	F43 Y92 R112 Q113 G116	F43-H94 AromaticContact CE2-CD2 3.92Å; F43-H94 AromaticContact CE2-NE2 3.45Å; F43-H94 WeakPolarHBondContact CE2-NE2 3.27Å; Y92-H94 PolarHBondContact O-N 2.71Å; H94-R112 HydrophobicContact CB-CG 4.25Å; H94-R112 VanDerWaalsContact CB-NE 3.3Å; H94-R112 VanDerWaalsContact CD2-CZ 3.44Å; H94-R112 PolarHBondContact CD2-NE 2.96Å; H94-R112 VanDerWaalsContact CD2-NE 3.32Å; H94-R112 PolarHBondContact CE1-NH2 2.95Å; H94-R112 VanDerWaalsContact CE1-NH2 3.26Å; H94-R112 VanDerWaalsContact CG-CZ 3.44Å; H94-R112 PolarHBondContact ND1-NH2 3.19Å; H94-Q113 PolarHBondContact CD2-O 2.9Å; H94-Q113 PolarHBondContact NE2-O 3.28Å; H94-G116 CarbonylContact C-O 3.48Å; H94-G116 WeakPolarHBondContact CA-O 3.47Å; H94-G116 VanDerWaalsContact CD2-CA 3.48Å; H94-G116 WeakPolarHBondContact CD2-CA 3.45Å
95	Y	95.5	Very high	90.3	Very high	58 Å²	58	59.7 Å²	59.7	23%	0.227	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	168.2	-178.1	66.2	-87.3	0	0	0	112.5	P53 E55 L86 G116 V117 S118	P53-Y95 CarbonylContact O-C 3.46Å; P53-Y95 WeakPolarHBondContact O-CA 3.5Å; P53-Y95 WeakPolarHBondContact O-CB 3.48Å; E55-Y95 HydrophobicContact CG-CD2 4.24Å; E55-Y95 HydrophobicContact CG-CE2 4.04Å; E55-Y95 WeakPolarHBondContact OE1-CE2 3.26Å; L86-Y95 HydrophobicContact CD1-CD1 4.39Å; L86-Y95 HydrophobicContact CD1-CD2 3.63Å; L86-Y95 HydrophobicContact CD1-CE2 4.24Å; L86-Y95 HydrophobicContact CD1-CG 3.71Å; Y95-G116 PolarHBondContact N-O 3.15Å; Y95-V117 HydrophobicContact CE1-CG2 3.87Å; Y95-V117 HydrophobicContact CE2-CG1 4.18Å; Y95-V117 HydrophobicContact CE2-CG2 4.45Å; Y95-S118 PolarHBondContact O-N 3.03Å
96	L	97.2	Very high	90.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.1	176.1	171	62.5	0	0	0	110.6	I52 P53 Y54 E55 I98 S118 V120 L137 V140	I52-L96 HydrophobicContact CG2-CB 3.79Å; I52-L96 HydrophobicContact CG2-CD2 4.15Å; P53-L96 PolarHBondContact O-N 3.22Å; Y54-L96 CarbonylContact C-O 3.04Å; Y54-L96 WeakPolarHBondContact CA-O 3.38Å; E55-L96 PolarHBondContact N-O 3.46Å; L96-I98 HydrophobicContact CD1-CG1 4.24Å; L96-I98 HydrophobicContact CD2-CD1 3.81Å; L96-I98 HydrophobicContact CD2-CG1 3.86Å; L96-I98 HydrophobicContact CG-CD1 4.24Å; L96-I98 HydrophobicContact CG-CG1 3.76Å; L96-S118 CarbonylContact C-O 3.58Å; L96-S118 WeakPolarHBondContact CA-O 3.45Å; L96-V120 HydrophobicContact CD1-CB 4.31Å; L96-V120 HydrophobicContact CD1-CG2 3.75Å; L96-L137 HydrophobicContact CD2-CD2 3.99Å; L96-V140 HydrophobicContact CD1-CG1 4.07Å; L96-V140 HydrophobicContact CD1-CG2 3.71Å; L96-V140 HydrophobicContact CD2-CG1 4.16Å; L96-V140 HydrophobicContact CD2-CG2 4.35Å; L96-V140 HydrophobicContact CG-CG1 4.49Å
97	S	96.8	Very high	90.4	Very high	4 Å²	4	58.5 Å²	58.5	3%	0.028	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.5	171	-163.1	0	0	0	0	110.8	E55 I57 H99 S118 T119 V120	E55-S97 WeakPolarHBondContact OE1-CB 3.27Å; E55-S97 PolarHBondContact OE1-OG 3.03Å; I57-S97 WeakPolarHBondContact CD1-OG 2.92Å; S97-H99 PolarHBondContact OG-NE2 2.97Å; S97-S118 PolarHBondContact N-O 3.33Å; S97-T119 WeakPolarHBondContact O-CA 3.2Å; S97-V120 PolarHBondContact O-N 3.46Å
98	I	97.1	Very high	90.8	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	110.6	-178.1	-53.8	175.3	0	0	0	109.5	Y54 E55 I57 I68 M72 L96 V120 L122	Y54-I98 HydrophobicContact CD2-CD1 4.27Å; E55-I98 PolarHBondContact O-N 3.15Å; I57-I98 PolarHBondContact N-O 3.23Å; I68-I98 HydrophobicContact CD1-CG2 4.04Å; I68-I98 HydrophobicContact CG2-CD1 3.83Å; M72-I98 HydrophobicContact CE-CD1 3.27Å; L96-I98 HydrophobicContact CD1-CG1 4.24Å; L96-I98 HydrophobicContact CD2-CD1 3.81Å; L96-I98 HydrophobicContact CD2-CG1 3.86Å; L96-I98 HydrophobicContact CG-CD1 4.24Å; L96-I98 HydrophobicContact CG-CG1 3.76Å; I98-V120 HydrophobicContact CG1-CB 4.37Å; I98-V120 HydrophobicContact CG2-CB 4.39Å; I98-V120 HydrophobicContact CG2-CG1 4.24Å; I98-L122 HydrophobicContact CG2-CD1 3.82Å; I98-L122 HydrophobicContact CG2-CG 4.45Å
99	H	95.6	Very high	91.5	Very high	36 Å²	36	45.9 Å²	45.9	17%	0.167	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	118.8	-179.2	-61.6	-88.2	0	0	0	111.5	I57 S97 T101 V120 W121 L122	I57-H99 WeakPolarHBondContact O-CA 3.42Å; S97-H99 PolarHBondContact OG-NE2 2.97Å; H99-T101 HydrophobicContact CB-CG2 4.14Å; H99-V120 PolarHBondContact N-O 3.14Å; H99-W121 HydrophobicContact CB-CD2 3.95Å; H99-W121 HydrophobicContact CB-CE3 3.54Å; H99-W121 HydrophobicContact CB-CH2 4.35Å; H99-W121 HydrophobicContact CB-CZ3 3.77Å; H99-W121 AromaticContact CD2-CE2 3.87Å; H99-W121 AromaticContact CD2-CZ2 3.82Å; H99-W121 AromaticContact CG-CE3 4Å; H99-W121 AromaticContact CG-CH2 3.93Å; H99-W121 AromaticContact CG-CZ3 3.85Å; H99-L122 PolarHBondContact O-N 2.46Å
100	V	95.3	Very high	91.9	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.6	170.6	-175.5	0	0	0	0	109.4	I57 D58 T64 I68 L122 R124 L128	I57-V100 PolarHBondContact O-N 2.93Å; D58-V100 HydrophobicContact CB-CB 4.32Å; T64-V100 HydrophobicContact CG2-CG1 4.33Å; I68-V100 HydrophobicContact CD1-CG2 3.91Å; V100-L122 WeakPolarHBondContact CA-O 3.46Å; V100-R124 HydrophobicContact CG1-CB 4.24Å; V100-R124 HydrophobicContact CG1-CG 4.44Å; V100-L128 HydrophobicContact CG2-CD1 4.31Å
101	T	92.3	Very high	92.4	Very high	20 Å²	20	41.2 Å²	41.2	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	161.9	-171.5	79.3	0	0	0	0	112.9	H99 G103 W121 L122 H123 R124	H99-T101 HydrophobicContact CB-CG2 4.14Å; T101-G103 VanDerWaalsContact C-N 3.34Å; T101-G103 PolarHBondContact OG1-N 3.5Å; T101-G103 PolarHBondContact OG1-O 3.22Å; T101-W121 HydrophobicContact CG2-CE3 3.77Å; T101-W121 HydrophobicContact CG2-CZ3 3.93Å; T101-L122 PolarHBondContact N-O 3.28Å; T101-H123 WeakPolarHBondContact O-CA 3.48Å; T101-R124 PolarHBondContact O-N 3.07Å
102	D	91	Very high	92.8	Very high	76 Å²	76	37.3 Å²	37.3	41%	0.406	21%	0.212	S	C	.	.	S	Bend	trans	-86.6	-6.4	169	-70.8	-20.1	0	0	0	112.4	K60 H123 R124	K60-D102 WeakPolarHBondContact CE-OD2 3.46Å; K60-D102 IonicContact NZ-OD1 3.53Å; K60-D102 PolarHBondContact NZ-OD1 2.89Å; K60-D102 IonicContact NZ-OD2 2.73Å; K60-D102 PolarHBondContact NZ-OD2 3.24Å; D102-H123 PolarHBondContact O-CD2 3.09Å; D102-H123 VanDerWaalsContact O-CD2 3.3Å; D102-H123 PolarHBondContact O-NE2 2.79Å; D102-R124 IonicContact OD1-NE 3.58Å; D102-R124 PolarHBondContact OD1-NE 3.2Å
103	G	89.5	Confident	93.1	Very high	40 Å²	40	37.4 Å²	37.4	41%	0.412	21%	0.214	S	C	.	.	S	Bend	trans	-68.8	137.6	172.9	0	0	0	0	0	110.6	T101 V105 H123	T101-G103 VanDerWaalsContact C-N 3.34Å; T101-G103 PolarHBondContact OG1-N 3.5Å; T101-G103 PolarHBondContact OG1-O 3.22Å; G103-V105 VanDerWaalsContact C-N 3.25Å; G103-V105 PolarHBondContact O-N 2.91Å; G103-H123 VanDerWaalsContact O-CB 3.26Å; G103-H123 WeakPolarHBondContact O-CB 3.3Å; G103-H123 PolarHBondContact O-CD2 2.74Å
104	I	89.1	Confident	93.1	Very high	121 Å²	121	42.3 Å²	42.3	62%	0.621	23%	0.229	S	C	*	.	S	Bend	trans	-76.3	78.6	-178.6	-54.2	179	0	0	0	109.7
105	V	91.5	Very high	93	Very high	48 Å²	48	47 Å²	47	29%	0.291	26%	0.255	S	S	.	.			trans	-137.5	134.7	177.6	61.4	0	0	0	0	110.2	G103 D107 W121 H123 C127	G103-V105 VanDerWaalsContact C-N 3.25Å; G103-V105 PolarHBondContact O-N 2.91Å; V105-D107 HydrophobicContact CG2-CB 3.8Å; V105-W121 HydrophobicContact CG1-CB 3.77Å; V105-W121 HydrophobicContact CG2-CB 4.07Å; V105-H123 VanDerWaalsContact O-CB 3.3Å; V105-H123 WeakPolarHBondContact O-CB 3.45Å; V105-H123 PolarHBondContact O-N 2.88Å; V105-C127 PolarHBondContact O-SG 3.17Å
106	C	94.1	Very high	92.8	Very high	55 Å²	55	44.6 Å²	44.6	37%	0.372	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	101.1	163.2	-49.5	0	0	0	0	105.3	W121 C127	C106-W121 WeakPolarHBondContact CA-O 3.33Å; C106-C127 WeakPolarHBondContact CA-SG 3.23Å; C106-C127 HydrophobicContact CB-CB 3.87Å; C106-C127 WeakPolarHBondContact CB-SG 3.33Å; C106-C127 WeakPolarHBondContact SG-CB 3.29Å; C106-C127 CovalentContact SG-SG 2Å; C106-C127 PolarHBondContact SG-SG 3.33Å
107	D	95.4	Very high	92.7	Very high	96 Å²	96	46.5 Å²	46.5	51%	0.513	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	153.8	-174.4	-160.7	13.3	0	0	0	111.5	V105 V120 W121 Q136	V105-D107 HydrophobicContact CG2-CB 3.8Å; D107-V120 CarbonylContact O-C 3.52Å; D107-V120 WeakPolarHBondContact O-CA 3.38Å; D107-W121 PolarHBondContact N-O 2.98Å; D107-W121 VanDerWaalsContact N-O 3.12Å; D107-W121 PolarHBondContact O-N 3.27Å; D107-Q136 VanDerWaalsContact C-OE1 3.29Å
108	A	96.7	Very high	92.7	Very high	12 Å²	12	46.3 Å²	46.3	10%	0.099	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	143.8	180	0	0	0	0	0	110.8	T119 V120 Q136 H139 V140	A108-T119 VanDerWaalsContact CA-O 3.31Å; A108-T119 WeakPolarHBondContact CA-O 3.48Å; A108-V120 HydrophobicContact CB-CG2 3.79Å; A108-Q136 HydrophobicContact CB-CB 4.11Å; A108-H139 HydrophobicContact CB-CB 3.8Å; A108-V140 HydrophobicContact CB-CG2 4.47Å
109	T	95.7	Very high	92.7	Very high	31 Å²	31	47.8 Å²	47.8	19%	0.19	27%	0.267	C	S	.	.			trans	-65.9	146.4	164.5	51.2	0	0	0	0	110.1	Q113 S118 T119 H139	T109-Q113 HydrophobicContact CG2-CG 3.97Å; T109-S118 WeakPolarHBondContact OG1-CA 3.44Å; T109-S118 WeakPolarHBondContact OG1-CB 3.12Å; T109-T119 PolarHBondContact N-O 3Å; T109-T119 PolarHBondContact OG1-N 2.93Å; T109-T119 PolarHBondContact OG1-O 3.27Å; T109-H139 CarbonylContact O-C 3.53Å
110	V	91.3	Very high	92.8	Very high	43 Å²	43	46.2 Å²	46.2	26%	0.261	26%	0.26	S	S	.	.	S	Bend	trans	-95.9	119.2	177.5	-173.4	0	0	0	0	110.5	Q113 H139 G142	V110-Q113 PolarHBondContact O-NE2 3.11Å; V110-H139 CarbonylContact C-O 3.31Å; V110-H139 VanDerWaalsContact CA-O 3.23Å; V110-H139 WeakPolarHBondContact CA-O 3.41Å; V110-H139 HydrophobicContact CG2-CB 4.25Å; V110-G142 WeakPolarHBondContact CG1-O 3.42Å
111	G	89.7	Confident	92.9	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.021	28%	0.277	C	S	.	.	S	Bend	trans	74.1	176.9	-177.3	0	0	0	0	0	113.5	Q113 S118 H139 V140	G111-Q113 PolarHBondContact O-NE2 3.31Å; G111-S118 PolarHBondContact O-OG 3Å; G111-H139 PolarHBondContact N-O 3.06Å; G111-V140 CarbonylContact C-O 3.48Å; G111-V140 WeakPolarHBondContact CA-O 3.46Å; G111-V140 PolarHBondContact N-O 3.46Å
112	R	89.2	Confident	93.1	Very high	24 Å²	24	49.7 Å²	49.7	9%	0.091	27%	0.271	C	S	.	.	S	Bend	trans	-64	130.7	172.1	-176.4	173.9	166.5	-105.8	6.8	109.8	F43 D44 W45 F46 W47 H94	F43-R112 WeakPolarHBondContact CE1-O 3.2Å; F43-R112 VanDerWaalsContact CE2-NH1 3.33Å; F43-R112 HydrophobicContact CZ-CG 4.22Å; F43-R112 VanDerWaalsContact CZ-O 3.25Å; F43-R112 WeakPolarHBondContact CZ-O 3.19Å; D44-R112 PolarHBondContact O-NH1 3.43Å; D44-R112 VanDerWaalsContact O-NH1 3.12Å; W45-R112 WeakPolarHBondContact O-CB 3.49Å; W45-R112 PolarHBondContact O-N 2.9Å; F46-R112 WeakPolarHBondContact O-CD 3.41Å; W47-R112 HydrophobicContact CD2-CB 4Å; W47-R112 HydrophobicContact CD2-CG 4.27Å; W47-R112 HydrophobicContact CE3-CB 4.46Å; W47-R112 HydrophobicContact CE3-CG 4.22Å; W47-R112 HydrophobicContact CG-CB 4.36Å; W47-R112 HydrophobicContact CH2-CG 4.3Å; W47-R112 HydrophobicContact CZ2-CB 4.12Å; W47-R112 HydrophobicContact CZ2-CG 4.35Å; W47-R112 HydrophobicContact CZ3-CG 4.23Å; H94-R112 HydrophobicContact CB-CG 4.25Å; H94-R112 VanDerWaalsContact CB-NE 3.3Å; H94-R112 VanDerWaalsContact CD2-CZ 3.44Å; H94-R112 PolarHBondContact CD2-NE 2.96Å; H94-R112 VanDerWaalsContact CD2-NE 3.32Å; H94-R112 PolarHBondContact CE1-NH2 2.95Å; H94-R112 VanDerWaalsContact CE1-NH2 3.26Å; H94-R112 VanDerWaalsContact CG-CZ 3.44Å; H94-R112 PolarHBondContact ND1-NH2 3.19Å
113	Q	92.1	Very high	93.2	Very high	39 Å²	39	46.9 Å²	46.9	18%	0.182	26%	0.255	C	S	.	.			trans	-93.1	137.1	-175.4	-61.4	-56.3	-66	0	0	113.1	H94 T109 V110 G111 N115 G116 V117 S118	H94-Q113 PolarHBondContact CD2-O 2.9Å; H94-Q113 PolarHBondContact NE2-O 3.28Å; T109-Q113 HydrophobicContact CG2-CG 3.97Å; V110-Q113 PolarHBondContact O-NE2 3.11Å; G111-Q113 PolarHBondContact O-NE2 3.31Å; Q113-N115 WeakPolarHBondContact CB-OD1 3.41Å; Q113-N115 PolarHBondContact O-N 3.4Å; Q113-N115 VanDerWaalsContact O-N 3.11Å; Q113-G116 PolarHBondContact O-N 3Å; Q113-V117 WeakPolarHBondContact CB-O 3.3Å; Q113-S118 PolarHBondContact N-OG 2.95Å
114	K	88.7	Confident	93.3	Very high	155 Å²	155	46.7 Å²	46.7	67%	0.674	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.2	-177.3	-172.6	175.8	178.7	-177.3	0	115.2	F43 G116	F43-K114 HydrophobicContact CB-CD 4.5Å; F43-K114 HydrophobicContact CB-CG 4.43Å; F43-K114 HydrophobicContact CD1-CB 3.91Å; F43-K114 HydrophobicContact CD1-CG 4.18Å; F43-K114 HydrophobicContact CD2-CB 4.15Å; F43-K114 HydrophobicContact CD2-CG 4.01Å; F43-K114 HydrophobicContact CE1-CB 3.81Å; F43-K114 VanDerWaalsContact CE2-CA 3.41Å; F43-K114 HydrophobicContact CE2-CB 4.09Å; F43-K114 HydrophobicContact CE2-CG 4.41Å; F43-K114 HydrophobicContact CG-CB 4.09Å; F43-K114 HydrophobicContact CG-CD 4.37Å; F43-K114 HydrophobicContact CG-CG 3.91Å; F43-K114 HydrophobicContact CZ-CB 3.92Å; K114-G116 VanDerWaalsContact C-N 3.25Å; K114-G116 PolarHBondContact O-N 3.07Å
115	N	89.3	Confident	93.4	Very high	126 Å²	126	49.4 Å²	49.4	67%	0.674	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	8.2	178.3	66.2	-15.1	0	0	0	113	Q113 V117	Q113-N115 WeakPolarHBondContact CB-OD1 3.41Å; Q113-N115 PolarHBondContact O-N 3.4Å; Q113-N115 VanDerWaalsContact O-N 3.11Å; N115-V117 VanDerWaalsContact C-N 3.33Å; N115-V117 PolarHBondContact O-N 3.13Å; N115-V117 PolarHBondContact OD1-N 3.29Å; N115-V117 PolarHBondContact OD1-O 3.46Å
116	G	91.1	Very high	93.4	Very high	6 Å²	6	54.4 Å²	54.4	6%	0.062	26%	0.263	C	S	.	.	S	Bend	trans	92.9	-37.8	-178.1	0	0	0	0	0	113.8	S93 H94 Y95 Q113 K114	S93-G116 VanDerWaalsContact O-CA 3.27Å; S93-G116 WeakPolarHBondContact O-CA 3.46Å; H94-G116 CarbonylContact C-O 3.48Å; H94-G116 WeakPolarHBondContact CA-O 3.47Å; H94-G116 VanDerWaalsContact CD2-CA 3.48Å; H94-G116 WeakPolarHBondContact CD2-CA 3.45Å; Y95-G116 PolarHBondContact N-O 3.15Å; Q113-G116 PolarHBondContact O-N 3Å; K114-G116 VanDerWaalsContact C-N 3.25Å; K114-G116 PolarHBondContact O-N 3.07Å
117	V	95.2	Very high	93.4	Very high	41 Å²	41	51.8 Å²	51.8	25%	0.248	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	112.4	-168.3	-169.8	0	0	0	0	111.6	Y95 Q113 N115 T119	Y95-V117 HydrophobicContact CE1-CG2 3.87Å; Y95-V117 HydrophobicContact CE2-CG1 4.18Å; Y95-V117 HydrophobicContact CE2-CG2 4.45Å; Q113-V117 WeakPolarHBondContact CB-O 3.3Å; N115-V117 VanDerWaalsContact C-N 3.33Å; N115-V117 PolarHBondContact O-N 3.13Å; N115-V117 PolarHBondContact OD1-N 3.29Å; N115-V117 PolarHBondContact OD1-O 3.46Å; V117-T119 HydrophobicContact CG1-CG2 4.03Å
118	S	96.7	Very high	93.2	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	143.3	164.4	-51.2	0	0	0	0	108.7	W47 Y95 L96 S97 T109 G111 Q113	W47-S118 VanDerWaalsContact CZ2-OG 3.31Å; W47-S118 WeakPolarHBondContact CZ2-OG 3.45Å; Y95-S118 PolarHBondContact O-N 3.03Å; L96-S118 CarbonylContact C-O 3.58Å; L96-S118 WeakPolarHBondContact CA-O 3.45Å; S97-S118 PolarHBondContact N-O 3.33Å; T109-S118 WeakPolarHBondContact OG1-CA 3.44Å; T109-S118 WeakPolarHBondContact OG1-CB 3.12Å; G111-S118 PolarHBondContact O-OG 3Å; Q113-S118 PolarHBondContact N-OG 2.95Å
119	T	97.7	Very high	93.1	Very high	32 Å²	32	54 Å²	54	20%	0.196	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.8	-174	63.6	0	0	0	0	112.2	S97 A108 T109 V117 W121	S97-T119 WeakPolarHBondContact O-CA 3.2Å; A108-T119 VanDerWaalsContact CA-O 3.31Å; A108-T119 WeakPolarHBondContact CA-O 3.48Å; T109-T119 PolarHBondContact N-O 3Å; T109-T119 PolarHBondContact OG1-N 2.93Å; T109-T119 PolarHBondContact OG1-O 3.27Å; V117-T119 HydrophobicContact CG1-CG2 4.03Å; T119-W121 PolarHBondContact OG1-NE1 3.24Å
120	V	97.9	Very high	93.1	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.018	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.8	167.4	168.4	0	0	0	0	108.7	L96 S97 I98 H99 D107 A108 L122 Q136 V140	L96-V120 HydrophobicContact CD1-CB 4.31Å; L96-V120 HydrophobicContact CD1-CG2 3.75Å; S97-V120 PolarHBondContact O-N 3.46Å; I98-V120 HydrophobicContact CG1-CB 4.37Å; I98-V120 HydrophobicContact CG2-CB 4.39Å; I98-V120 HydrophobicContact CG2-CG1 4.24Å; H99-V120 PolarHBondContact N-O 3.14Å; D107-V120 CarbonylContact O-C 3.52Å; D107-V120 WeakPolarHBondContact O-CA 3.38Å; A108-V120 HydrophobicContact CB-CG2 3.79Å; V120-L122 HydrophobicContact CG1-CD1 4.28Å; V120-L122 HydrophobicContact CG1-CD2 3.75Å; V120-L122 HydrophobicContact CG1-CG 3.78Å; V120-Q136 HydrophobicContact CG1-CB 3.91Å; V120-Q136 HydrophobicContact CG1-CG 4.26Å; V120-Q136 HydrophobicContact CG2-CB 4.29Å; V120-V140 HydrophobicContact CG2-CG2 3.38Å
121	W	97.2	Very high	93.4	Very high	94 Å²	94	52.8 Å²	52.8	36%	0.356	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.5	177.6	-62.6	83.1	0	0	0	109.8	H99 T101 V105 C106 D107 T119	H99-W121 HydrophobicContact CB-CD2 3.95Å; H99-W121 HydrophobicContact CB-CE3 3.54Å; H99-W121 HydrophobicContact CB-CH2 4.35Å; H99-W121 HydrophobicContact CB-CZ3 3.77Å; H99-W121 AromaticContact CD2-CE2 3.87Å; H99-W121 AromaticContact CD2-CZ2 3.82Å; H99-W121 AromaticContact CG-CE3 4Å; H99-W121 AromaticContact CG-CH2 3.93Å; H99-W121 AromaticContact CG-CZ3 3.85Å; T101-W121 HydrophobicContact CG2-CE3 3.77Å; T101-W121 HydrophobicContact CG2-CZ3 3.93Å; V105-W121 HydrophobicContact CG1-CB 3.77Å; V105-W121 HydrophobicContact CG2-CB 4.07Å; C106-W121 WeakPolarHBondContact CA-O 3.33Å; D107-W121 PolarHBondContact N-O 2.98Å; D107-W121 VanDerWaalsContact N-O 3.12Å; D107-W121 PolarHBondContact O-N 3.27Å; T119-W121 PolarHBondContact OG1-NE1 3.24Å
122	L	95.9	Very high	93.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111.8	-176.9	-58.6	174.4	0	0	0	110.5	I68 I98 H99 V100 T101 V120 R124 C127 L128 I133 Q136	I68-L122 HydrophobicContact CD1-CD1 4.28Å; I68-L122 HydrophobicContact CG1-CD1 4.27Å; I98-L122 HydrophobicContact CG2-CD1 3.82Å; I98-L122 HydrophobicContact CG2-CG 4.45Å; H99-L122 PolarHBondContact O-N 2.46Å; V100-L122 WeakPolarHBondContact CA-O 3.46Å; T101-L122 PolarHBondContact N-O 3.28Å; V120-L122 HydrophobicContact CG1-CD1 4.28Å; V120-L122 HydrophobicContact CG1-CD2 3.75Å; V120-L122 HydrophobicContact CG1-CG 3.78Å; L122-R124 PolarHBondContact O-N 3.23Å; L122-C127 HydrophobicContact CB-CB 4.2Å; L122-C127 HydrophobicContact CD2-CB 3.83Å; L122-L128 HydrophobicContact CD1-CD1 4.25Å; L122-I133 HydrophobicContact CD1-CG1 4.06Å; L122-I133 HydrophobicContact CD2-CG1 4.45Å; L122-Q136 HydrophobicContact CD2-CG 3.97Å
123	H	94	Very high	94.1	Very high	17 Å²	17	53.5 Å²	53.5	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	119.1	166.6	177.2	-116.2	0	0	0	110.2	T101 D102 G103 V105 K125 R126 C127	T101-H123 WeakPolarHBondContact O-CA 3.48Å; D102-H123 PolarHBondContact O-CD2 3.09Å; D102-H123 VanDerWaalsContact O-CD2 3.3Å; D102-H123 PolarHBondContact O-NE2 2.79Å; G103-H123 VanDerWaalsContact O-CB 3.26Å; G103-H123 WeakPolarHBondContact O-CB 3.3Å; G103-H123 PolarHBondContact O-CD2 2.74Å; V105-H123 VanDerWaalsContact O-CB 3.3Å; V105-H123 WeakPolarHBondContact O-CB 3.45Å; V105-H123 PolarHBondContact O-N 2.88Å; H123-K125 PolarHBondContact O-N 2.83Å; H123-R126 HydrophobicContact CB-CB 4.45Å; H123-R126 VanDerWaalsContact ND1-CB 3.27Å; H123-R126 WeakPolarHBondContact ND1-CB 3.41Å; H123-R126 VanDerWaalsContact ND1-CG 3.27Å; H123-R126 WeakPolarHBondContact ND1-CG 3.12Å; H123-R126 PolarHBondContact ND1-N 3.39Å; H123-R126 PolarHBondContact O-N 2.88Å; H123-C127 WeakPolarHBondContact CB-SG 3.44Å; H123-C127 PolarHBondContact N-SG 2.89Å; H123-C127 PolarHBondContact O-N 2.96Å
124	R	91.7	Very high	94.3	Very high	36 Å²	36	51.8 Å²	51.8	14%	0.136	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-39.5	-173.2	-172.8	179.4	-59.4	-78.4	-1.6	114.4	D58 V100 T101 D102 L122 L128	D58-R124 VanDerWaalsContact CG-NH2 3.29Å; D58-R124 IonicContact OD1-CZ 2.82Å; D58-R124 IonicContact OD1-NH1 2.63Å; D58-R124 IonicContact OD1-NH2 2.85Å; D58-R124 PolarHBondContact OD1-NH2 2.93Å; D58-R124 IonicContact OD2-CZ 3.75Å; D58-R124 IonicContact OD2-NH1 3.45Å; D58-R124 PolarHBondContact OD2-NH1 3.47Å; D58-R124 IonicContact OD2-NH2 3.59Å; D58-R124 PolarHBondContact OD2-NH2 3.15Å; V100-R124 HydrophobicContact CG1-CB 4.24Å; V100-R124 HydrophobicContact CG1-CG 4.44Å; T101-R124 PolarHBondContact O-N 3.07Å; D102-R124 IonicContact OD1-NE 3.58Å; D102-R124 PolarHBondContact OD1-NE 3.2Å; L122-R124 PolarHBondContact O-N 3.23Å; R124-L128 WeakPolarHBondContact O-CB 3.49Å
125	K	90.5	Very high	94.7	Very high	177 Å²	177	44.9 Å²	44.9	77%	0.77	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	-15	-176.9	-59.8	-176.6	178.6	-179	0	114.7	H123	H123-K125 PolarHBondContact O-N 2.83Å
126	R	90.8	Very high	95.1	Very high	153 Å²	153	39.2 Å²	39.2	58%	0.577	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.8	-31.9	-172.2	-67	178.1	-178.2	-170.1	1.5	114.4	H123	H123-R126 HydrophobicContact CB-CB 4.45Å; H123-R126 VanDerWaalsContact ND1-CB 3.27Å; H123-R126 WeakPolarHBondContact ND1-CB 3.41Å; H123-R126 VanDerWaalsContact ND1-CG 3.27Å; H123-R126 WeakPolarHBondContact ND1-CG 3.12Å; H123-R126 PolarHBondContact ND1-N 3.39Å; H123-R126 PolarHBondContact O-N 2.88Å
127	C	94.4	Very high	95.4	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-12.7	-175.1	-28.8	0	0	0	0	113	V105 C106 L122 H123 Q129 M132	V105-C127 PolarHBondContact O-SG 3.17Å; C106-C127 WeakPolarHBondContact CA-SG 3.23Å; C106-C127 HydrophobicContact CB-CB 3.87Å; C106-C127 WeakPolarHBondContact CB-SG 3.33Å; C106-C127 WeakPolarHBondContact SG-CB 3.29Å; C106-C127 CovalentContact SG-SG 2Å; C106-C127 PolarHBondContact SG-SG 3.33Å; L122-C127 HydrophobicContact CB-CB 4.2Å; L122-C127 HydrophobicContact CD2-CB 3.83Å; H123-C127 WeakPolarHBondContact CB-SG 3.44Å; H123-C127 PolarHBondContact N-SG 2.89Å; H123-C127 PolarHBondContact O-N 2.96Å; C127-Q129 PolarHBondContact O-N 2.82Å; C127-M132 HydrophobicContact CB-CG 3.89Å; C127-M132 WeakPolarHBondContact O-CB 3.46Å
128	L	92.5	Very high	95.4	Very high	37 Å²	37	37 Å²	37	19%	0.194	17%	0.166	C	C	.	.			trans	-79.1	60.4	179.8	-158	75.7	0	0	0	111	T64 V67 I68 V100 L122 R124 I133	T64-L128 HydrophobicContact CG2-CD2 3.66Å; V67-L128 HydrophobicContact CG1-CD1 3.76Å; V67-L128 HydrophobicContact CG1-CD2 3.83Å; V67-L128 HydrophobicContact CG1-CG 3.54Å; I68-L128 HydrophobicContact CD1-CD1 4.32Å; I68-L128 HydrophobicContact CG1-CD1 4.14Å; V100-L128 HydrophobicContact CG2-CD1 4.31Å; L122-L128 HydrophobicContact CD1-CD1 4.25Å; R124-L128 WeakPolarHBondContact O-CB 3.49Å; L128-I133 HydrophobicContact CD1-CD1 4.37Å
129	Q	94.3	Very high	95.3	Very high	118 Å²	118	37.5 Å²	37.5	55%	0.551	17%	0.169	S	C	*	.	S	Bend	trans	-136	138.2	178.3	-63.3	-179.2	-0.3	0	0	107.7	C127 G131 M132 I133	C127-Q129 PolarHBondContact O-N 2.82Å; Q129-G131 VanDerWaalsContact C-N 3.34Å; Q129-G131 PolarHBondContact O-N 3.36Å; Q129-M132 HydrophobicContact CB-CB 4.48Å; Q129-M132 PolarHBondContact O-N 3.3Å; Q129-I133 WeakPolarHBondContact O-CG1 3.49Å; Q129-I133 PolarHBondContact O-N 2.57Å
130	V	95.9	Very high	95.2	Very high	45 Å²	45	36 Å²	36	27%	0.273	16%	0.159	S	C	.	.	H	α-helix	trans	-46.5	-53.2	-173.2	172	0	0	0	0	112.7	V67 T70 A71 L74 M132 I133 L134	V67-V130 HydrophobicContact CG2-CG2 4.2Å; T70-V130 HydrophobicContact CG2-CG2 4.22Å; A71-V130 HydrophobicContact CB-CG1 4.19Å; L74-V130 HydrophobicContact CD1-CG1 3.46Å; L74-V130 VanDerWaalsContact CD1-CG1 3.46Å; V130-M132 VanDerWaalsContact C-N 3.33Å; V130-M132 PolarHBondContact O-N 2.99Å; V130-I133 PolarHBondContact O-N 2.98Å; V130-I133 VanDerWaalsContact O-N 3.17Å; V130-L134 HydrophobicContact CG1-CD1 4.12Å; V130-L134 HydrophobicContact CG1-CG 4.47Å; V130-L134 WeakPolarHBondContact O-CG 3.48Å; V130-L134 PolarHBondContact O-N 3.36Å
131	G	96.2	Very high	94.9	Very high	4 Å²	4	36.4 Å²	36.4	4%	0.041	16%	0.161	C	C	.	.	H	α-helix	trans	-71	-23.8	-177.7	0	0	0	0	0	115	Q129 H135 I190 R218	Q129-G131 VanDerWaalsContact C-N 3.34Å; Q129-G131 PolarHBondContact O-N 3.36Å; G131-H135 PolarHBondContact O-N 2.93Å; G131-I190 WeakPolarHBondContact O-CD1 3.43Å; G131-R218 WeakPolarHBondContact CA-O 3.31Å
132	M	95.9	Very high	94.5	Very high	38 Å²	38	33 Å²	33	19%	0.187	16%	0.156	C	C	.	.	H	α-helix	trans	-75.1	-37.5	170.5	-171.6	59.4	62.1	0	0	110.9	C127 Q129 V130 H135 Q136 R218	C127-M132 HydrophobicContact CB-CG 3.89Å; C127-M132 WeakPolarHBondContact O-CB 3.46Å; Q129-M132 HydrophobicContact CB-CB 4.48Å; Q129-M132 PolarHBondContact O-N 3.3Å; V130-M132 VanDerWaalsContact C-N 3.33Å; V130-M132 PolarHBondContact O-N 2.99Å; M132-H135 WeakPolarHBondContact O-CB 3.23Å; M132-H135 PolarHBondContact O-N 3.44Å; M132-H135 HydrophobicContact SD-CB 4.5Å; M132-Q136 WeakPolarHBondContact O-CG 3.33Å; M132-Q136 PolarHBondContact O-N 2.9Å; M132-R218 HydrophobicContact CE-CG 4.18Å
133	I	97.6	Very high	94.3	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.015	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-46.1	175.5	-61.4	166.2	0	0	0	109.6	V67 I68 A71 L122 L128 Q129 V130 H135 Q136 L137	V67-I133 HydrophobicContact CG2-CD1 4.06Å; I68-I133 HydrophobicContact CG1-CD1 4.07Å; A71-I133 HydrophobicContact CB-CB 3.77Å; A71-I133 HydrophobicContact CB-CG2 3.55Å; L122-I133 HydrophobicContact CD1-CG1 4.06Å; L122-I133 HydrophobicContact CD2-CG1 4.45Å; L128-I133 HydrophobicContact CD1-CD1 4.37Å; Q129-I133 WeakPolarHBondContact O-CG1 3.49Å; Q129-I133 PolarHBondContact O-N 2.57Å; V130-I133 PolarHBondContact O-N 2.98Å; V130-I133 VanDerWaalsContact O-N 3.17Å; I133-H135 VanDerWaalsContact C-N 3.27Å; I133-H135 PolarHBondContact O-N 2.85Å; I133-Q136 PolarHBondContact O-N 3.1Å; I133-L137 HydrophobicContact CG2-CD1 4.04Å; I133-L137 HydrophobicContact CG2-CG 4.22Å; I133-L137 WeakPolarHBondContact O-CG 3.43Å; I133-L137 PolarHBondContact O-N 3.43Å
134	L	97.6	Very high	94.2	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-54.9	-41.8	173.3	-73.6	174.2	0	0	0	112.3	A71 M75 V130 L137 M138 I190 L221	A71-L134 HydrophobicContact CB-CD2 4.41Å; A71-L134 HydrophobicContact CB-CG 4.29Å; A71-L134 VanDerWaalsContact O-CD2 3.26Å; A71-L134 WeakPolarHBondContact O-CD2 3.34Å; M75-L134 HydrophobicContact CB-CD2 3.99Å; M75-L134 HydrophobicContact CE-CD2 4.11Å; V130-L134 HydrophobicContact CG1-CD1 4.12Å; V130-L134 HydrophobicContact CG1-CG 4.47Å; V130-L134 WeakPolarHBondContact O-CG 3.48Å; V130-L134 PolarHBondContact O-N 3.36Å; L134-L137 PolarHBondContact O-N 3.05Å; L134-M138 WeakPolarHBondContact O-CG 3.39Å; L134-M138 PolarHBondContact O-N 3.25Å; L134-I190 HydrophobicContact CB-CD1 3.42Å; L134-I190 VanDerWaalsContact CB-CD1 3.42Å; L134-I190 HydrophobicContact CD1-CD1 4.19Å; L134-I190 HydrophobicContact CG-CD1 4.47Å; L134-L221 HydrophobicContact CB-CD2 4.45Å; L134-L221 HydrophobicContact CD1-CG 4.48Å; L134-L221 HydrophobicContact CD2-CD1 4.49Å; L134-L221 HydrophobicContact CD2-CG 4.38Å
135	H	97.5	Very high	94.3	Very high	9 Å²	9	34.9 Å²	34.9	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-45.4	174.4	172.9	100.8	0	0	0	112.2	G131 M132 I133 L137 M138 H139 H145 I190	G131-H135 PolarHBondContact O-N 2.93Å; M132-H135 WeakPolarHBondContact O-CB 3.23Å; M132-H135 PolarHBondContact O-N 3.44Å; M132-H135 HydrophobicContact SD-CB 4.5Å; I133-H135 VanDerWaalsContact C-N 3.27Å; I133-H135 PolarHBondContact O-N 2.85Å; H135-L137 VanDerWaalsContact C-N 3.34Å; H135-M138 PolarHBondContact O-N 3.09Å; H135-H139 AromaticContact CD2-NE2 3.89Å; H135-H139 AromaticContact CE1-NE2 3.82Å; H135-H139 AromaticContact NE2-CD2 3.84Å; H135-H139 AromaticContact NE2-NE2 3.26Å; H135-H139 PolarHBondContact NE2-NE2 3.33Å; H135-H139 PolarHBondContact O-N 2.92Å; H135-H145 AromaticContact CE1-CD2 3.79Å; H135-H145 AromaticContact CE1-NE2 3.51Å; H135-H145 AromaticContact NE2-NE2 3.59Å; H135-I190 HydrophobicContact CB-CG1 4.27Å; H135-I190 HydrophobicContact CB-CG2 4.49Å; H135-I190 PolarHBondContact ND1-O 2.88Å
136	Q	97.4	Very high	94.6	Very high	7 Å²	7	26.5 Å²	26.5	3%	0.033	13%	0.129	C	C	.	.	H	α-helix	trans	-65.9	-37.6	176.7	-60	-50.1	-35.1	0	0	111.8	D107 A108 V120 L122 M132 I133 M138 H139 V140	D107-Q136 VanDerWaalsContact C-OE1 3.29Å; A108-Q136 HydrophobicContact CB-CB 4.11Å; V120-Q136 HydrophobicContact CG1-CB 3.91Å; V120-Q136 HydrophobicContact CG1-CG 4.26Å; V120-Q136 HydrophobicContact CG2-CB 4.29Å; L122-Q136 HydrophobicContact CD2-CG 3.97Å; M132-Q136 WeakPolarHBondContact O-CG 3.33Å; M132-Q136 PolarHBondContact O-N 2.9Å; I133-Q136 PolarHBondContact O-N 3.1Å; Q136-M138 VanDerWaalsContact C-N 3.35Å; Q136-M138 PolarHBondContact O-N 3.09Å; Q136-H139 WeakPolarHBondContact O-CB 3.22Å; Q136-H139 PolarHBondContact O-N 3.21Å; Q136-H139 VanDerWaalsContact O-N 3.17Å; Q136-V140 PolarHBondContact O-N 3Å; Q136-V140 VanDerWaalsContact O-N 3.08Å
137	L	96.6	Very high	94.7	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-66.4	-35.1	176.8	-67.8	177.4	0	0	0	112.1	M72 M75 F83 L96 I133 L134 H135 H139 V140 I141	M72-L137 HydrophobicContact CG-CD1 3.95Å; M75-L137 HydrophobicContact CE-CB 3.59Å; M75-L137 HydrophobicContact CE-CD1 4.49Å; M75-L137 HydrophobicContact SD-CB 3.83Å; M75-L137 HydrophobicContact SD-CD1 4.22Å; F83-L137 HydrophobicContact CE1-CD2 3.91Å; F83-L137 HydrophobicContact CE2-CD1 4.45Å; F83-L137 HydrophobicContact CZ-CD1 3.96Å; F83-L137 HydrophobicContact CZ-CD2 4.01Å; F83-L137 HydrophobicContact CZ-CG 4.4Å; L96-L137 HydrophobicContact CD2-CD2 3.99Å; I133-L137 HydrophobicContact CG2-CD1 4.04Å; I133-L137 HydrophobicContact CG2-CG 4.22Å; I133-L137 WeakPolarHBondContact O-CG 3.43Å; I133-L137 PolarHBondContact O-N 3.43Å; L134-L137 PolarHBondContact O-N 3.05Å; H135-L137 VanDerWaalsContact C-N 3.34Å; L137-H139 VanDerWaalsContact C-N 3.27Å; L137-H139 PolarHBondContact O-N 2.77Å; L137-V140 WeakPolarHBondContact O-CB 3.36Å; L137-V140 PolarHBondContact O-N 3.33Å; L137-V140 VanDerWaalsContact O-N 3.1Å; L137-I141 WeakPolarHBondContact O-CG1 3.49Å; L137-I141 PolarHBondContact O-N 3.19Å
138	M	95.4	Very high	94.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.9	-38.7	171.1	-77.2	-68.6	-71.4	0	0	112.1	M75 L134 H135 Q136 I141 G142 F143 I190 T191 L221 D225 V229	M75-M138 HydrophobicContact CE-CG 4.25Å; M75-M138 HydrophobicContact CE-SD 4.37Å; L134-M138 WeakPolarHBondContact O-CG 3.39Å; L134-M138 PolarHBondContact O-N 3.25Å; H135-M138 PolarHBondContact O-N 3.09Å; Q136-M138 VanDerWaalsContact C-N 3.35Å; Q136-M138 PolarHBondContact O-N 3.09Å; M138-I141 PolarHBondContact O-N 3.27Å; M138-I141 HydrophobicContact SD-CD1 4.43Å; M138-G142 PolarHBondContact O-N 3.1Å; M138-F143 HydrophobicContact CE-CB 4.05Å; M138-F143 HydrophobicContact CE-CD2 3.52Å; M138-F143 HydrophobicContact CE-CE2 4.18Å; M138-F143 HydrophobicContact CE-CG 3.8Å; M138-F143 WeakPolarHBondContact O-CB 3.39Å; M138-F143 PolarHBondContact O-N 2.72Å; M138-F143 HydrophobicContact SD-CD2 4.11Å; M138-I190 HydrophobicContact CG-CG2 3.79Å; M138-T191 HydrophobicContact CB-CG2 3.61Å; M138-T191 HydrophobicContact CE-CG2 4.29Å; M138-T191 HydrophobicContact CG-CG2 4.11Å; M138-L221 HydrophobicContact CG-CD2 3.84Å; M138-L221 HydrophobicContact SD-CD2 3.98Å; M138-D225 HydrophobicContact CE-CB 3.91Å; M138-D225 HydrophobicContact SD-CB 4.46Å; M138-V229 HydrophobicContact CE-CG2 4.33Å; M138-V229 HydrophobicContact SD-CG2 3.84Å
139	H	94.3	Very high	94.5	Very high	10 Å²	10	18.4 Å²	18.4	5%	0.046	10%	0.097	C	C	.	.	H	α-helix	trans	-62.7	-47.9	171.3	-71.1	-40.3	0	0	0	111.3	A108 T109 V110 G111 H135 Q136 L137 I141 G142 F143 H145	A108-H139 HydrophobicContact CB-CB 3.8Å; T109-H139 CarbonylContact O-C 3.53Å; V110-H139 CarbonylContact C-O 3.31Å; V110-H139 VanDerWaalsContact CA-O 3.23Å; V110-H139 WeakPolarHBondContact CA-O 3.41Å; V110-H139 HydrophobicContact CG2-CB 4.25Å; G111-H139 PolarHBondContact N-O 3.06Å; H135-H139 AromaticContact CD2-NE2 3.89Å; H135-H139 AromaticContact CE1-NE2 3.82Å; H135-H139 AromaticContact NE2-CD2 3.84Å; H135-H139 AromaticContact NE2-NE2 3.26Å; H135-H139 PolarHBondContact NE2-NE2 3.33Å; H135-H139 PolarHBondContact O-N 2.92Å; Q136-H139 WeakPolarHBondContact O-CB 3.22Å; Q136-H139 PolarHBondContact O-N 3.21Å; Q136-H139 VanDerWaalsContact O-N 3.17Å; L137-H139 VanDerWaalsContact C-N 3.27Å; L137-H139 PolarHBondContact O-N 2.77Å; H139-I141 VanDerWaalsContact C-N 3.26Å; H139-I141 PolarHBondContact O-N 3.09Å; H139-G142 WeakPolarHBondContact O-CA 3.36Å; H139-G142 PolarHBondContact O-N 3.18Å; H139-F143 WeakPolarHBondContact CA-O 3.45Å; H139-F143 PolarHBondContact ND1-O 2.8Å; H139-H145 AromaticContact CE1-CE1 3.65Å; H139-H145 AromaticContact CE1-ND1 3.66Å; H139-H145 AromaticContact NE2-CE1 3.39Å; H139-H145 PolarHBondContact NE2-CE1 3.39Å; H139-H145 AromaticContact NE2-ND1 3.89Å; H139-H145 AromaticContact NE2-NE2 3.81Å
140	V	95	Very high	94	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-56.9	-39.6	178.5	177.3	0	0	0	0	112	W47 I52 L96 A108 G111 V120 Q136 L137 G142	W47-V140 HydrophobicContact CZ2-CG1 3.8Å; W47-V140 PolarHBondContact NE1-O 3.32Å; I52-V140 HydrophobicContact CD1-CG1 4.29Å; I52-V140 HydrophobicContact CG2-CG1 4.33Å; L96-V140 HydrophobicContact CD1-CG1 4.07Å; L96-V140 HydrophobicContact CD1-CG2 3.71Å; L96-V140 HydrophobicContact CD2-CG1 4.16Å; L96-V140 HydrophobicContact CD2-CG2 4.35Å; L96-V140 HydrophobicContact CG-CG1 4.49Å; A108-V140 HydrophobicContact CB-CG2 4.47Å; G111-V140 CarbonylContact C-O 3.48Å; G111-V140 WeakPolarHBondContact CA-O 3.46Å; G111-V140 PolarHBondContact N-O 3.46Å; V120-V140 HydrophobicContact CG2-CG2 3.38Å; Q136-V140 PolarHBondContact O-N 3Å; Q136-V140 VanDerWaalsContact O-N 3.08Å; L137-V140 WeakPolarHBondContact O-CB 3.36Å; L137-V140 PolarHBondContact O-N 3.33Å; L137-V140 VanDerWaalsContact O-N 3.1Å; V140-G142 PolarHBondContact O-N 3.39Å
141	I	91.7	Very high	93.3	Very high	11 Å²	11	11.6 Å²	11.6	6%	0.056	6%	0.064	C	C	.	.	H	α-helix	trans	-62.7	-33.1	175.9	-66.4	162.2	0	0	0	111.5	I52 M75 V81 L137 M138 H139 F143 V229	I52-I141 HydrophobicContact CD1-CG1 4.08Å; M75-I141 HydrophobicContact CE-CD1 3.81Å; M75-I141 HydrophobicContact SD-CD1 3.49Å; M75-I141 WeakPolarHBondContact SD-CD1 3.47Å; V81-I141 HydrophobicContact CG2-CD1 3.87Å; V81-I141 HydrophobicContact CG2-CG1 4.16Å; L137-I141 WeakPolarHBondContact O-CG1 3.49Å; L137-I141 PolarHBondContact O-N 3.19Å; M138-I141 PolarHBondContact O-N 3.27Å; M138-I141 HydrophobicContact SD-CD1 4.43Å; H139-I141 VanDerWaalsContact C-N 3.26Å; H139-I141 PolarHBondContact O-N 3.09Å; I141-F143 HydrophobicContact CB-CD2 4.23Å; I141-F143 HydrophobicContact CB-CE2 4.34Å; I141-F143 HydrophobicContact CG2-CD2 3.96Å; I141-F143 HydrophobicContact CG2-CE2 3.58Å; I141-V229 HydrophobicContact CD1-CG2 4.27Å
142	G	89.7	Confident	93	Very high	24 Å²	24	11.7 Å²	11.7	25%	0.247	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	134.4	3.9	177.3	0	0	0	0	0	115	V110 M138 H139 V140	V110-G142 WeakPolarHBondContact CG1-O 3.42Å; M138-G142 PolarHBondContact O-N 3.1Å; H139-G142 WeakPolarHBondContact O-CA 3.36Å; H139-G142 PolarHBondContact O-N 3.18Å; V140-G142 PolarHBondContact O-N 3.39Å
143	F	90.6	Very high	92.5	Very high	27 Å²	27	14.3 Å²	14.3	12%	0.118	8%	0.078	C	C	.	.			trans	-88.5	133.1	-175.5	-65.3	-72.9	0	0	0	112.4	M138 H139 I141 K228 V229 S232	M138-F143 HydrophobicContact CE-CB 4.05Å; M138-F143 HydrophobicContact CE-CD2 3.52Å; M138-F143 HydrophobicContact CE-CE2 4.18Å; M138-F143 HydrophobicContact CE-CG 3.8Å; M138-F143 WeakPolarHBondContact O-CB 3.39Å; M138-F143 PolarHBondContact O-N 2.72Å; M138-F143 HydrophobicContact SD-CD2 4.11Å; H139-F143 WeakPolarHBondContact CA-O 3.45Å; H139-F143 PolarHBondContact ND1-O 2.8Å; I141-F143 HydrophobicContact CB-CD2 4.23Å; I141-F143 HydrophobicContact CB-CE2 4.34Å; I141-F143 HydrophobicContact CG2-CD2 3.96Å; I141-F143 HydrophobicContact CG2-CE2 3.58Å; F143-K228 HydrophobicContact CD1-CB 4.28Å; F143-K228 HydrophobicContact CD1-CD 4.44Å; F143-K228 HydrophobicContact CE1-CB 3.61Å; F143-K228 HydrophobicContact CE1-CD 4.48Å; F143-K228 HydrophobicContact CE1-CG 4.33Å; F143-K228 HydrophobicContact CE2-CB 4.47Å; F143-K228 HydrophobicContact CZ-CB 3.71Å; F143-K228 WeakPolarHBondContact CZ-O 3.29Å; F143-V229 HydrophobicContact CD2-CG2 4.44Å; F143-V229 HydrophobicContact CE2-CB 4.43Å; F143-V229 HydrophobicContact CE2-CG2 3.72Å; F143-V229 HydrophobicContact CZ-CG2 4.43Å; F143-S232 WeakPolarHBondContact CZ-OG 3.39Å
144	H	91.9	Very high	91.7	Very high	29 Å²	29	17.6 Å²	17.6	13%	0.134	9%	0.092	C	C	.	.			trans	-81.1	176.6	168.9	-67.4	-59.5	0	0	0	111.6	R174 F179 T191	H144-R174 WeakPolarHBondContact CD2-CD 3.23Å; H144-R174 PolarHBondContact CD2-NE 2.76Å; H144-R174 PolarHBondContact CE1-NH1 3.06Å; H144-R174 VanDerWaalsContact CE1-NH1 3.33Å; H144-R174 PolarHBondContact CE1-NH2 3.48Å; H144-R174 VanDerWaalsContact ND1-CZ 3.29Å; H144-R174 PolarHBondContact ND1-NE 3.45Å; H144-R174 PolarHBondContact ND1-NH2 2.6Å; H144-R174 PolarHBondContact NE2-NH1 2.86Å; H144-F179 HydrophobicContact CB-CD2 3.9Å; H144-F179 HydrophobicContact CB-CE2 3.69Å; H144-T191 PolarHBondContact O-OG1 2.98Å
145	H	95.6	Very high	91.1	Very high	36 Å²	36	18.9 Å²	18.9	17%	0.167	10%	0.097	C	C	.	.			trans	-64.4	139.8	174.2	-72	87.2	0	0	0	110.4	H135 H139 N147 E148 T191	H135-H145 AromaticContact CE1-CD2 3.79Å; H135-H145 AromaticContact CE1-NE2 3.51Å; H135-H145 AromaticContact NE2-NE2 3.59Å; H139-H145 AromaticContact CE1-CE1 3.65Å; H139-H145 AromaticContact CE1-ND1 3.66Å; H139-H145 AromaticContact NE2-CE1 3.39Å; H139-H145 PolarHBondContact NE2-CE1 3.39Å; H139-H145 AromaticContact NE2-ND1 3.89Å; H139-H145 AromaticContact NE2-NE2 3.81Å; H145-N147 PolarHBondContact O-N 2.99Å; H145-E148 HydrophobicContact CB-CG 3.96Å; H145-E148 IonicContact CG-OE2 3.41Å; H145-E148 PolarHBondContact N-OE2 3.29Å; H145-E148 VanDerWaalsContact N-OE2 3.16Å; H145-E148 IonicContact ND1-OE2 3.44Å; H145-E148 WeakPolarHBondContact O-CA 3.39Å; H145-E148 WeakPolarHBondContact O-CB 3.24Å; H145-E148 PolarHBondContact O-N 2.95Å; H145-T191 WeakPolarHBondContact CA-O 3.48Å; H145-T191 WeakPolarHBondContact CB-O 3.37Å; H145-T191 PolarHBondContact CD2-O 2.98Å
146	E	95	Very high	90.7	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-59.1	-35.3	-179.4	-167.5	71.5	171.2	0	0	112.4	E148 R149 Y185 D186 T191 H192 K228	E146-E148 PolarHBondContact O-N 2.82Å; E146-R149 WeakPolarHBondContact O-CB 3.3Å; E146-R149 WeakPolarHBondContact O-CD 3.41Å; E146-R149 WeakPolarHBondContact O-CG 3.21Å; E146-R149 PolarHBondContact O-N 3.08Å; E146-R149 VanDerWaalsContact O-N 3.16Å; E146-R149 VanDerWaalsContact OE1-CD 3.29Å; E146-R149 WeakPolarHBondContact OE1-CD 3.32Å; E146-R149 IonicContact OE1-CZ 3.24Å; E146-R149 IonicContact OE1-NE 3.44Å; E146-R149 IonicContact OE1-NH1 2.63Å; E146-R149 PolarHBondContact OE1-NH1 2.95Å; E146-Y185 HydrophobicContact CG-CD2 4.49Å; E146-Y185 HydrophobicContact CG-CE1 4.27Å; E146-Y185 HydrophobicContact CG-CE2 4.15Å; E146-Y185 WeakPolarHBondContact O-CE2 3.45Å; E146-D186 WeakPolarHBondContact CG-O 3.44Å; E146-D186 PolarHBondContact OE1-N 2.86Å; E146-T191 PolarHBondContact N-O 3.49Å; E146-T191 PolarHBondContact N-OG1 2.71Å; E146-H192 HydrophobicContact CB-CB 3.98Å; E146-K228 IonicContact OE1-NZ 3.45Å; E146-K228 PolarHBondContact OE1-NZ 3.43Å; E146-K228 IonicContact OE2-NZ 2.76Å; E146-K228 PolarHBondContact OE2-NZ 3.35Å
147	N	94.6	Very high	90.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-74.9	4.4	174.5	67.3	-90.7	0	0	0	113.9	H145 R152 L170 Y185 L193 L206	H145-N147 PolarHBondContact O-N 2.99Å; N147-R152 WeakPolarHBondContact O-CD 3.05Å; N147-R152 PolarHBondContact O-NH1 3.27Å; N147-L170 PolarHBondContact ND2-O 3.06Å; N147-Y185 WeakPolarHBondContact CA-OH 3.41Å; N147-L193 WeakPolarHBondContact OD1-CB 3.15Å; N147-L193 WeakPolarHBondContact OD1-CG 3.4Å; N147-L193 PolarHBondContact OD1-N 2.86Å; N147-L206 HydrophobicContact CB-CD1 4.19Å
148	E	94.2	Very high	90.2	Very high	19 Å²	19	21.2 Å²	21.2	9%	0.089	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-98.1	-2.4	169.4	-67.2	-179.7	115.6	0	0	111.6	H145 E146 T173 R174	H145-E148 HydrophobicContact CB-CG 3.96Å; H145-E148 IonicContact CG-OE2 3.41Å; H145-E148 PolarHBondContact N-OE2 3.29Å; H145-E148 VanDerWaalsContact N-OE2 3.16Å; H145-E148 IonicContact ND1-OE2 3.44Å; H145-E148 WeakPolarHBondContact O-CA 3.39Å; H145-E148 WeakPolarHBondContact O-CB 3.24Å; H145-E148 PolarHBondContact O-N 2.95Å; E146-E148 PolarHBondContact O-N 2.82Å; E148-T173 CarbonylContact O-C 3.27Å; E148-T173 WeakPolarHBondContact O-CA 3.34Å; E148-R174 HydrophobicContact CB-CG 4.34Å; E148-R174 PolarHBondContact O-N 2.87Å; E148-R174 IonicContact OE1-NE 2.68Å; E148-R174 IonicContact OE1-NH2 3.17Å; E148-R174 IonicContact OE2-NE 3.56Å
149	R	88	Confident	90.2	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	13%	0.13	C	C	.	.			trans	-55.3	143.8	178	-75.1	171.2	59.7	134.7	-2.5	112.2	E146 D151 R152 T173 F179 T183 P184 Y185	E146-R149 WeakPolarHBondContact O-CB 3.3Å; E146-R149 WeakPolarHBondContact O-CD 3.41Å; E146-R149 WeakPolarHBondContact O-CG 3.21Å; E146-R149 PolarHBondContact O-N 3.08Å; E146-R149 VanDerWaalsContact O-N 3.16Å; E146-R149 VanDerWaalsContact OE1-CD 3.29Å; E146-R149 WeakPolarHBondContact OE1-CD 3.32Å; E146-R149 IonicContact OE1-CZ 3.24Å; E146-R149 IonicContact OE1-NE 3.44Å; E146-R149 IonicContact OE1-NH1 2.63Å; E146-R149 PolarHBondContact OE1-NH1 2.95Å; R149-D151 WeakPolarHBondContact CB-OD1 3.13Å; R149-D151 IonicContact CZ-OD1 2.64Å; R149-D151 IonicContact CZ-OD2 3.91Å; R149-D151 IonicContact NE-OD1 3.72Å; R149-D151 PolarHBondContact NE-OD1 3.29Å; R149-D151 IonicContact NE-OD2 3.83Å; R149-D151 IonicContact NH2-OD1 3.54Å; R149-D151 PolarHBondContact NH2-OD1 3.08Å; R149-D151 IonicContact NH2-OD2 3.41Å; R149-D151 PolarHBondContact NH2-OD2 2.99Å; R149-D151 PolarHBondContact O-N 2.66Å; R149-R152 HydrophobicContact CB-CB 4.41Å; R149-R152 WeakPolarHBondContact O-CB 3.2Å; R149-R152 PolarHBondContact O-N 2.65Å; R149-R152 VanDerWaalsContact O-N 3.17Å; R149-T173 WeakPolarHBondContact O-CG2 3.27Å; R149-F179 HydrophobicContact CB-CE2 4.41Å; R149-F179 HydrophobicContact CG-CD1 4.3Å; R149-F179 HydrophobicContact CG-CD2 4.11Å; R149-F179 HydrophobicContact CG-CE1 3.78Å; R149-F179 HydrophobicContact CG-CE2 3.55Å; R149-F179 HydrophobicContact CG-CG 4.47Å; R149-F179 HydrophobicContact CG-CZ 3.38Å; R149-T183 PolarHBondContact NH1-O 3.41Å; R149-T183 VanDerWaalsContact NH1-O 3.09Å; R149-T183 PolarHBondContact NH2-O 2.98Å; R149-P184 PolarHBondContact NH1-O 3.23Å; R149-Y185 HydrophobicContact CB-CE2 4.36Å
150	P	82.5	Confident	90.3	Very high	18 Å²	18	30.2 Å²	30.2	12%	0.117	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.8	180	29.9	-38.9	0	0	0	112.9	R174 W176 V181	P150-R174 WeakPolarHBondContact CB-O 3.42Å; P150-W176 HydrophobicContact CB-CB 4.49Å; P150-W176 HydrophobicContact CB-CD2 3.52Å; P150-W176 HydrophobicContact CB-CE3 3.94Å; P150-W176 HydrophobicContact CB-CG 3.74Å; P150-W176 HydrophobicContact CB-CZ2 4.18Å; P150-W176 HydrophobicContact CB-CZ3 4.41Å; P150-W176 HydrophobicContact CG-CB 4.47Å; P150-W176 HydrophobicContact CG-CD2 3.53Å; P150-W176 HydrophobicContact CG-CE3 3.39Å; P150-W176 HydrophobicContact CG-CG 4Å; P150-W176 HydrophobicContact CG-CH2 4.38Å; P150-W176 HydrophobicContact CG-CZ2 4.45Å; P150-W176 HydrophobicContact CG-CZ3 3.82Å; P150-V181 HydrophobicContact CG-CG2 3.91Å
151	D	81.7	Confident	90.4	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.011	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	0.7	178.2	68.5	-17.7	0	0	0	113.7	R149 D153 F154 F155 W176	R149-D151 WeakPolarHBondContact CB-OD1 3.13Å; R149-D151 IonicContact CZ-OD1 2.64Å; R149-D151 IonicContact CZ-OD2 3.91Å; R149-D151 IonicContact NE-OD1 3.72Å; R149-D151 PolarHBondContact NE-OD1 3.29Å; R149-D151 IonicContact NE-OD2 3.83Å; R149-D151 IonicContact NH2-OD1 3.54Å; R149-D151 PolarHBondContact NH2-OD1 3.08Å; R149-D151 IonicContact NH2-OD2 3.41Å; R149-D151 PolarHBondContact NH2-OD2 2.99Å; R149-D151 PolarHBondContact O-N 2.66Å; D151-D153 PolarHBondContact O-N 3.02Å; D151-F154 HydrophobicContact CB-CD2 4.14Å; D151-F154 WeakPolarHBondContact O-CB 3.41Å; D151-F154 WeakPolarHBondContact O-CD2 3.4Å; D151-F154 PolarHBondContact O-N 3.43Å; D151-F154 VanDerWaalsContact O-N 3.1Å; D151-F155 HydrophobicContact CB-CE2 4.21Å; D151-F155 VanDerWaalsContact O-CD2 3.24Å; D151-F155 WeakPolarHBondContact O-CD2 3.34Å; D151-F155 WeakPolarHBondContact O-CE2 3.17Å; D151-W176 HydrophobicContact CB-CH2 3.58Å; D151-W176 HydrophobicContact CB-CZ2 4.27Å; D151-W176 HydrophobicContact CB-CZ3 4.13Å
152	R	90	Very high	90.6	Very high	5 Å²	5	37.2 Å²	37.2	2%	0.019	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-56.5	-32.6	-170.1	85.8	180	-176.9	-156	-6.4	114	N147 R149 F154 F155 V156 F171 T173 Y185	N147-R152 WeakPolarHBondContact O-CD 3.05Å; N147-R152 PolarHBondContact O-NH1 3.27Å; R149-R152 HydrophobicContact CB-CB 4.41Å; R149-R152 WeakPolarHBondContact O-CB 3.2Å; R149-R152 PolarHBondContact O-N 2.65Å; R149-R152 VanDerWaalsContact O-N 3.17Å; R152-F154 PolarHBondContact O-N 3.48Å; R152-F154 VanDerWaalsContact O-N 3.08Å; R152-F155 WeakPolarHBondContact O-CA 3.43Å; R152-F155 WeakPolarHBondContact O-CB 3.22Å; R152-F155 PolarHBondContact O-N 2.82Å; R152-V156 HydrophobicContact CB-CG2 4.19Å; R152-V156 HydrophobicContact CG-CG2 4.14Å; R152-V156 WeakPolarHBondContact O-CG2 3.34Å; R152-V156 PolarHBondContact O-N 3.4Å; R152-F171 PolarHBondContact NH1-O 3.1Å; R152-F171 PolarHBondContact NH2-O 3.14Å; R152-T173 HydrophobicContact CG-CG2 3.84Å; R152-T173 VanDerWaalsContact CZ-CG2 3.45Å; R152-Y185 HydrophobicContact CB-CD2 4.49Å; R152-Y185 HydrophobicContact CB-CE2 3.6Å
153	D	85.2	Confident	91	Very high	94 Å²	94	36 Å²	36	50%	0.503	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-72.4	-4.9	-171.3	-67.3	-18.6	0	0	0	111.1	D151	D151-D153 PolarHBondContact O-N 3.02Å
154	F	80.7	Confident	91.3	Very high	72 Å²	72	40.8 Å²	40.8	32%	0.316	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-83.7	-10	165.6	-61.6	-65.8	0	0	0	113.9	D151 R152 T397 F398	D151-F154 HydrophobicContact CB-CD2 4.14Å; D151-F154 WeakPolarHBondContact O-CB 3.41Å; D151-F154 WeakPolarHBondContact O-CD2 3.4Å; D151-F154 PolarHBondContact O-N 3.43Å; D151-F154 VanDerWaalsContact O-N 3.1Å; R152-F154 PolarHBondContact O-N 3.48Å; R152-F154 VanDerWaalsContact O-N 3.08Å; F154-T397 HydrophobicContact CB-CG2 3.64Å; F154-T397 HydrophobicContact CD1-CG2 4.12Å; F154-T397 HydrophobicContact CG-CG2 3.91Å; F154-F398 HydrophobicContact CD1-CE1 4.25Å; F154-F398 HydrophobicContact CD2-CE1 4.21Å; F154-F398 HydrophobicContact CD2-CZ 4.01Å; F154-F398 HydrophobicContact CE1-CD1 4.4Å; F154-F398 AromaticContact CE1-CE1 3.68Å; F154-F398 HydrophobicContact CE1-CE1 3.68Å; F154-F398 HydrophobicContact CE1-CZ 4.41Å; F154-F398 AromaticContact CE2-CE1 3.65Å; F154-F398 HydrophobicContact CE2-CE1 3.65Å; F154-F398 AromaticContact CE2-CZ 3.72Å; F154-F398 HydrophobicContact CE2-CZ 3.72Å; F154-F398 HydrophobicContact CZ-CD1 4.42Å; F154-F398 AromaticContact CZ-CE1 3.38Å; F154-F398 HydrophobicContact CZ-CE1 3.38Å; F154-F398 AromaticContact CZ-CZ 3.97Å; F154-F398 HydrophobicContact CZ-CZ 3.97Å
155	F	84.9	Confident	91.4	Very high	29 Å²	29	42.5 Å²	42.5	13%	0.127	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-35.3	-171.8	-57.6	-78.8	0	0	0	112.3	D151 R152 Y185 Y187 L209	D151-F155 HydrophobicContact CB-CE2 4.21Å; D151-F155 VanDerWaalsContact O-CD2 3.24Å; D151-F155 WeakPolarHBondContact O-CD2 3.34Å; D151-F155 WeakPolarHBondContact O-CE2 3.17Å; R152-F155 WeakPolarHBondContact O-CA 3.43Å; R152-F155 WeakPolarHBondContact O-CB 3.22Å; R152-F155 PolarHBondContact O-N 2.82Å; F155-Y185 HydrophobicContact CB-CD1 3.73Å; F155-Y185 HydrophobicContact CB-CD2 4.12Å; F155-Y185 HydrophobicContact CB-CE1 4Å; F155-Y185 HydrophobicContact CB-CE2 4.37Å; F155-Y185 HydrophobicContact CB-CG 3.79Å; F155-Y185 HydrophobicContact CD1-CD1 4.37Å; F155-Y185 HydrophobicContact CD1-CG 4.04Å; F155-Y185 HydrophobicContact CD2-CD1 4.36Å; F155-Y185 AromaticContact CD2-CD2 3.49Å; F155-Y185 HydrophobicContact CD2-CD2 3.49Å; F155-Y185 VanDerWaalsContact CD2-CD2 3.49Å; F155-Y185 HydrophobicContact CD2-CE2 4.28Å; F155-Y185 AromaticContact CD2-CG 3.54Å; F155-Y185 HydrophobicContact CD2-CG 3.54Å; F155-Y185 HydrophobicContact CE2-CD2 4.09Å; F155-Y185 HydrophobicContact CE2-CG 4.1Å; F155-Y185 AromaticContact CG-CD1 3.9Å; F155-Y185 HydrophobicContact CG-CD1 3.9Å; F155-Y185 AromaticContact CG-CD2 3.89Å; F155-Y185 HydrophobicContact CG-CD2 3.89Å; F155-Y185 AromaticContact CG-CG 3.5Å; F155-Y185 HydrophobicContact CG-CG 3.5Å; F155-Y185 VanDerWaalsContact CG-CG 3.5Å; F155-Y187 WeakPolarHBondContact CA-OH 3.38Å; F155-Y187 HydrophobicContact CB-CE1 4.21Å; F155-Y187 WeakPolarHBondContact CB-OH 3.19Å; F155-Y187 PolarHBondContact O-OH 2.87Å; F155-Y187 VanDerWaalsContact O-OH 3.06Å; F155-L209 WeakPolarHBondContact O-CB 3.42Å; F155-L209 PolarHBondContact O-N 3.45Å
156	V	89.2	Confident	91.4	Very high	2 Å²	2	46 Å²	46	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	150.8	-177	-61.9	0	0	0	0	112.3	R152 Y185 Y187 L206 E207 M215	R152-V156 HydrophobicContact CB-CG2 4.19Å; R152-V156 HydrophobicContact CG-CG2 4.14Å; R152-V156 WeakPolarHBondContact O-CG2 3.34Å; R152-V156 PolarHBondContact O-N 3.4Å; V156-Y185 HydrophobicContact CG1-CE1 4.24Å; V156-Y187 HydrophobicContact CG1-CD1 4.3Å; V156-Y187 HydrophobicContact CG1-CE1 3.84Å; V156-L206 HydrophobicContact CB-CD2 4.24Å; V156-L206 HydrophobicContact CG2-CD2 3.89Å; V156-E207 CarbonylContact C-O 3.57Å; V156-E207 VanDerWaalsContact CA-O 3.24Å; V156-E207 WeakPolarHBondContact CA-O 3.37Å; V156-M215 HydrophobicContact CG1-SD 3.85Å
157	T	90.5	Very high	91.4	Very high	51 Å²	51	49.6 Å²	49.6	31%	0.313	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.3	167.7	-64.1	0	0	0	0	110.1	Y159 L206 E207 L209	T157-Y159 HydrophobicContact CG2-CE1 4.49Å; T157-Y159 HydrophobicContact CG2-CE2 4.17Å; T157-L206 WeakPolarHBondContact O-CA 3.44Å; T157-E207 PolarHBondContact N-O 3.42Å; T157-E207 PolarHBondContact O-N 2.85Å; T157-L209 WeakPolarHBondContact OG1-CD2 3.17Å
158	V	94.4	Very high	91.4	Very high	15 Å²	15	53.8 Å²	53.8	9%	0.091	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119.7	174.7	-173.6	0	0	0	0	110.6	W160 I163 F171 T205 L206	V158-W160 HydrophobicContact CG1-CD2 3.98Å; V158-W160 HydrophobicContact CG1-CE3 4.41Å; V158-W160 HydrophobicContact CG1-CG 4.33Å; V158-W160 HydrophobicContact CG1-CZ2 4.17Å; V158-W160 PolarHBondContact O-N 3.26Å; V158-I163 HydrophobicContact CG1-CD1 3.59Å; V158-F171 HydrophobicContact CG1-CB 4.09Å; V158-F171 HydrophobicContact CG1-CD1 3.91Å; V158-F171 HydrophobicContact CG1-CG 4.32Å; V158-T205 WeakPolarHBondContact CA-O 3.37Å; V158-L206 HydrophobicContact CG2-CD2 3.79Å
159	Y	95.5	Very high	91.3	Very high	90 Å²	90	57.4 Å²	57.4	35%	0.353	27%	0.268	S	S	.	.			trans	-89.8	80.2	176.4	-68.7	-81.8	0	0	0	111.6	T157 N161 N162 I163 V204 T205 E207	T157-Y159 HydrophobicContact CG2-CE1 4.49Å; T157-Y159 HydrophobicContact CG2-CE2 4.17Å; Y159-N161 PolarHBondContact O-N 3.28Å; Y159-N161 VanDerWaalsContact O-N 3.07Å; Y159-N162 WeakPolarHBondContact O-CB 3.37Å; Y159-N162 PolarHBondContact O-N 3.11Å; Y159-I163 PolarHBondContact O-N 3.49Å; Y159-V204 HydrophobicContact CD2-CG1 4.21Å; Y159-V204 HydrophobicContact CE2-CG1 4.32Å; Y159-T205 PolarHBondContact N-O 2.96Å; Y159-E207 HydrophobicContact CD2-CB 4.49Å; Y159-E207 HydrophobicContact CE2-CB 3.71Å; Y159-E207 WeakPolarHBondContact CE2-OE2 3.12Å; Y159-E207 PolarHBondContact OH-OE2 2.82Å
160	W	95.5	Very high	91.5	Very high	109 Å²	109	59.4 Å²	59.4	41%	0.413	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.1	-174.7	-64.9	99.7	0	0	0	116.3	V158 N162 I163 R168 F171 R172	V158-W160 HydrophobicContact CG1-CD2 3.98Å; V158-W160 HydrophobicContact CG1-CE3 4.41Å; V158-W160 HydrophobicContact CG1-CG 4.33Å; V158-W160 HydrophobicContact CG1-CZ2 4.17Å; V158-W160 PolarHBondContact O-N 3.26Å; W160-N162 VanDerWaalsContact C-N 3.33Å; W160-I163 HydrophobicContact CE3-CD1 4.17Å; W160-R168 HydrophobicContact CE3-CB 4.42Å; W160-R168 HydrophobicContact CE3-CG 4.35Å; W160-R168 HydrophobicContact CZ3-CB 4.23Å; W160-R168 PolarHBondContact O-NE 2.94Å; W160-R168 PolarHBondContact O-NH2 2.72Å; W160-F171 HydrophobicContact CH2-CB 4.08Å; W160-F171 WeakPolarHBondContact CH2-O 3.19Å; W160-F171 HydrophobicContact CZ3-CB 4.01Å; W160-R172 HydrophobicContact CH2-CG 4.37Å
161	N	96.3	Very high	92.1	Very high	126 Å²	126	58.6 Å²	58.6	67%	0.674	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-22.2	178.1	-71.7	-24	0	0	0	113.2	Y159	Y159-N161 PolarHBondContact O-N 3.28Å; Y159-N161 VanDerWaalsContact O-N 3.07Å
162	N	97.5	Very high	92.7	Very high	31 Å²	31	66.1 Å²	66.1	17%	0.166	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-13.4	178.1	-65.8	-16.1	0	0	0	112	Y159 W160 S199 R200 R203 V204 T205	Y159-N162 WeakPolarHBondContact O-CB 3.37Å; Y159-N162 PolarHBondContact O-N 3.11Å; W160-N162 VanDerWaalsContact C-N 3.33Å; N162-S199 CarbonylContact O-C 3.53Å; N162-S199 WeakPolarHBondContact O-CA 3.41Å; N162-R200 WeakPolarHBondContact O-CB 3.44Å; N162-R200 WeakPolarHBondContact O-CG 3.19Å; N162-R200 PolarHBondContact O-N 2.68Å; N162-R203 HydrophobicContact CB-CB 3.99Å; N162-R203 WeakPolarHBondContact OD1-CD 3.32Å; N162-V204 VanDerWaalsContact CB-O 3.3Å; N162-V204 WeakPolarHBondContact CB-O 3.25Å; N162-V204 PolarHBondContact ND2-O 2.54Å; N162-T205 HydrophobicContact CB-CG2 4.04Å
163	I	97.3	Very high	92.7	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-84.1	138.4	179	-57.9	165.3	0	0	0	110	V158 Y159 W160 K167 R168 F171 F198 T205	V158-I163 HydrophobicContact CG1-CD1 3.59Å; Y159-I163 PolarHBondContact O-N 3.49Å; W160-I163 HydrophobicContact CE3-CD1 4.17Å; I163-K167 HydrophobicContact CG2-CB 4.38Å; I163-R168 HydrophobicContact CB-CG 4.25Å; I163-R168 HydrophobicContact CG2-CG 3.95Å; I163-F171 HydrophobicContact CB-CE2 4.48Å; I163-F171 HydrophobicContact CD1-CB 3.99Å; I163-F171 HydrophobicContact CD1-CD1 3.58Å; I163-F171 HydrophobicContact CD1-CD2 3.62Å; I163-F171 HydrophobicContact CD1-CE1 3.83Å; I163-F171 HydrophobicContact CD1-CE2 3.88Å; I163-F171 HydrophobicContact CD1-CG 3.47Å; I163-F171 VanDerWaalsContact CD1-CG 3.47Å; I163-F171 HydrophobicContact CD1-CZ 3.98Å; I163-F171 HydrophobicContact CG1-CD1 4.43Å; I163-F171 HydrophobicContact CG1-CD2 4.25Å; I163-F171 HydrophobicContact CG1-CE1 4.2Å; I163-F171 HydrophobicContact CG1-CE2 4.01Å; I163-F171 HydrophobicContact CG1-CG 4.45Å; I163-F171 HydrophobicContact CG1-CZ 3.99Å; I163-F171 HydrophobicContact CG2-CD2 3.85Å; I163-F171 HydrophobicContact CG2-CE2 3.58Å; I163-F171 HydrophobicContact CG2-CZ 4.3Å; I163-F198 HydrophobicContact CG2-CB 4.47Å; I163-T205 HydrophobicContact CB-CG2 4.43Å; I163-T205 HydrophobicContact CG1-CG2 3.63Å
164	R	96.4	Very high	92.9	Very high	127 Å²	127	68 Å²	68	48%	0.479	31%	0.308	S	S	.	.			trans	-58.3	129.3	171.6	-66.9	177.7	-171.3	-165.9	-0.7	110.5	E166 K167 R168 F198 S199 R200	R164-E166 VanDerWaalsContact C-N 3.26Å; R164-E166 VanDerWaalsContact CB-OE1 3.3Å; R164-E166 WeakPolarHBondContact CB-OE1 3.37Å; R164-E166 WeakPolarHBondContact CD-OE1 3.38Å; R164-E166 PolarHBondContact O-N 3.4Å; R164-E166 VanDerWaalsContact O-N 3.12Å; R164-K167 HydrophobicContact CB-CB 4.39Å; R164-K167 HydrophobicContact CB-CG 4.31Å; R164-K167 PolarHBondContact O-N 3.32Å; R164-R168 PolarHBondContact O-N 3.05Å; R164-F198 WeakPolarHBondContact CG-O 3.24Å; R164-F198 PolarHBondContact N-O 3.49Å; R164-S199 PolarHBondContact NE-O 3.08Å; R164-R200 HydrophobicContact CG-CG 4.08Å
165	P	95.2	Very high	92.8	Very high	64 Å²	64	67 Å²	67	42%	0.416	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-51.2	-41.7	-171.1	-29.4	35.8	0	0	0	114.5	K167 R168	P165-K167 PolarHBondContact O-N 3.21Å; P165-R168 PolarHBondContact O-N 3.08Å
166	E	95.3	Very high	92.3	Very high	111 Å²	111	67.3 Å²	67.3	52%	0.519	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-69.7	-16	-179.6	74.7	-71.2	172.9	0	0	113.9	R164 H169	R164-E166 VanDerWaalsContact C-N 3.26Å; R164-E166 VanDerWaalsContact CB-OE1 3.3Å; R164-E166 WeakPolarHBondContact CB-OE1 3.37Å; R164-E166 WeakPolarHBondContact CD-OE1 3.38Å; R164-E166 PolarHBondContact O-N 3.4Å; R164-E166 VanDerWaalsContact O-N 3.12Å; E166-H169 PolarHBondContact O-CE1 2.92Å; E166-H169 PolarHBondContact O-ND1 3.24Å
167	K	94.9	Very high	91.3	Very high	75 Å²	75	77.2 Å²	77.2	33%	0.326	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-104.2	-1	-178.8	-61.4	-60.1	-175.8	178.5	0	114.2	I163 R164 P165 H169 L170 F198	I163-K167 HydrophobicContact CG2-CB 4.38Å; R164-K167 HydrophobicContact CB-CB 4.39Å; R164-K167 HydrophobicContact CB-CG 4.31Å; R164-K167 PolarHBondContact O-N 3.32Å; P165-K167 PolarHBondContact O-N 3.21Å; K167-H169 PolarHBondContact O-N 3.05Å; K167-H169 VanDerWaalsContact O-N 3.15Å; K167-L170 HydrophobicContact CB-CD1 4.42Å; K167-L170 HydrophobicContact CD-CD1 3.97Å; K167-L170 WeakPolarHBondContact O-CB 3.49Å; K167-L170 PolarHBondContact O-N 2.82Å; K167-L170 VanDerWaalsContact O-N 3.12Å; K167-F198 HydrophobicContact CB-CB 3.69Å; K167-F198 HydrophobicContact CB-CD1 4.05Å; K167-F198 HydrophobicContact CB-CG 3.9Å; K167-F198 HydrophobicContact CD-CD1 3.94Å; K167-F198 HydrophobicContact CD-CE1 4.27Å; K167-F198 HydrophobicContact CG-CB 4.07Å; K167-F198 HydrophobicContact CG-CD1 3.75Å; K167-F198 HydrophobicContact CG-CG 4.12Å
168	R	94	Very high	90.5	Very high	88 Å²	88	80.2 Å²	80.2	33%	0.332	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-58.6	-28.5	-178.9	-73	178	173.9	171.5	-4.6	114.1	W160 I163 R164 P165 L170 F171	W160-R168 HydrophobicContact CE3-CB 4.42Å; W160-R168 HydrophobicContact CE3-CG 4.35Å; W160-R168 HydrophobicContact CZ3-CB 4.23Å; W160-R168 PolarHBondContact O-NE 2.94Å; W160-R168 PolarHBondContact O-NH2 2.72Å; I163-R168 HydrophobicContact CB-CG 4.25Å; I163-R168 HydrophobicContact CG2-CG 3.95Å; R164-R168 PolarHBondContact O-N 3.05Å; P165-R168 PolarHBondContact O-N 3.08Å; R168-L170 PolarHBondContact O-N 3.35Å; R168-F171 PolarHBondContact O-N 2.8Å; R168-F171 VanDerWaalsContact O-N 3.12Å
169	H	91.8	Very high	89.7	Confident	96 Å²	96	80.4 Å²	80.4	44%	0.444	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-62.3	-29.6	178.7	64.4	-86	0	0	0	112.8	E166 K167 F171 R172	E166-H169 PolarHBondContact O-CE1 2.92Å; E166-H169 PolarHBondContact O-ND1 3.24Å; K167-H169 PolarHBondContact O-N 3.05Å; K167-H169 VanDerWaalsContact O-N 3.15Å; H169-F171 PolarHBondContact O-N 3.08Å; H169-R172 PolarHBondContact O-N 3.02Å; H169-R172 VanDerWaalsContact O-N 3.15Å
170	L	92.4	Very high	88.3	Confident	43 Å²	43	79 Å²	79	23%	0.225	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-71.2	-9.1	177.1	-57.2	174.9	0	0	0	113.7	N147 K167 R168 F198	N147-L170 PolarHBondContact ND2-O 3.06Å; K167-L170 HydrophobicContact CB-CD1 4.42Å; K167-L170 HydrophobicContact CD-CD1 3.97Å; K167-L170 WeakPolarHBondContact O-CB 3.49Å; K167-L170 PolarHBondContact O-N 2.82Å; K167-L170 VanDerWaalsContact O-N 3.12Å; R168-L170 PolarHBondContact O-N 3.35Å; L170-F198 HydrophobicContact CB-CE2 4.36Å; L170-F198 HydrophobicContact CD1-CD1 4.23Å; L170-F198 HydrophobicContact CD1-CD2 4.05Å; L170-F198 HydrophobicContact CD1-CE1 3.75Å; L170-F198 HydrophobicContact CD1-CE2 3.54Å; L170-F198 HydrophobicContact CD1-CG 4.36Å; L170-F198 HydrophobicContact CD1-CZ 3.38Å
171	F	95.6	Very high	87.1	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-110.8	18.8	175.4	-62.6	-106.5	0	0	0	110.6	R152 V158 W160 I163 R168 H169 L193 A197 F198 L206	R152-F171 PolarHBondContact NH1-O 3.1Å; R152-F171 PolarHBondContact NH2-O 3.14Å; V158-F171 HydrophobicContact CG1-CB 4.09Å; V158-F171 HydrophobicContact CG1-CD1 3.91Å; V158-F171 HydrophobicContact CG1-CG 4.32Å; W160-F171 HydrophobicContact CH2-CB 4.08Å; W160-F171 WeakPolarHBondContact CH2-O 3.19Å; W160-F171 HydrophobicContact CZ3-CB 4.01Å; I163-F171 HydrophobicContact CB-CE2 4.48Å; I163-F171 HydrophobicContact CD1-CB 3.99Å; I163-F171 HydrophobicContact CD1-CD1 3.58Å; I163-F171 HydrophobicContact CD1-CD2 3.62Å; I163-F171 HydrophobicContact CD1-CE1 3.83Å; I163-F171 HydrophobicContact CD1-CE2 3.88Å; I163-F171 HydrophobicContact CD1-CG 3.47Å; I163-F171 VanDerWaalsContact CD1-CG 3.47Å; I163-F171 HydrophobicContact CD1-CZ 3.98Å; I163-F171 HydrophobicContact CG1-CD1 4.43Å; I163-F171 HydrophobicContact CG1-CD2 4.25Å; I163-F171 HydrophobicContact CG1-CE1 4.2Å; I163-F171 HydrophobicContact CG1-CE2 4.01Å; I163-F171 HydrophobicContact CG1-CG 4.45Å; I163-F171 HydrophobicContact CG1-CZ 3.99Å; I163-F171 HydrophobicContact CG2-CD2 3.85Å; I163-F171 HydrophobicContact CG2-CE2 3.58Å; I163-F171 HydrophobicContact CG2-CZ 4.3Å; R168-F171 PolarHBondContact O-N 2.8Å; R168-F171 VanDerWaalsContact O-N 3.12Å; H169-F171 PolarHBondContact O-N 3.08Å; F171-L193 HydrophobicContact CE1-CD1 4.25Å; F171-L193 HydrophobicContact CZ-CD1 4.17Å; F171-A197 HydrophobicContact CZ-CB 4.31Å; F171-A197 WeakPolarHBondContact CZ-O 3.38Å; F171-F198 HydrophobicContact CE2-CB 3.93Å; F171-F198 AromaticContact CE2-CD2 3.55Å; F171-F198 HydrophobicContact CE2-CD2 3.55Å; F171-F198 HydrophobicContact CE2-CG 4.15Å; F171-F198 HydrophobicContact CZ-CB 4.24Å; F171-F198 AromaticContact CZ-CD2 3.82Å; F171-F198 HydrophobicContact CZ-CD2 3.82Å; F171-L206 HydrophobicContact CD1-CD1 3.89Å; F171-L206 HydrophobicContact CD1-CD2 4.42Å; F171-L206 HydrophobicContact CD1-CG 3.98Å; F171-L206 HydrophobicContact CE1-CD1 3.51Å; F171-L206 HydrophobicContact CE1-CG 3.72Å
172	R	94.2	Very high	86	Confident	160 Å²	160	69.8 Å²	69.8	60%	0.604	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-85.3	145.5	170.5	-71	-178.8	176.2	146.3	-3	109.8	W160 H169	W160-R172 HydrophobicContact CH2-CG 4.37Å; H169-R172 PolarHBondContact O-N 3.02Å; H169-R172 VanDerWaalsContact O-N 3.15Å
173	T	90.8	Very high	85	Confident	61 Å²	61	68.4 Å²	68.4	37%	0.374	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-75.4	149.8	169.6	50.5	0	0	0	0	109.6	E148 R149 R152	E148-T173 CarbonylContact O-C 3.27Å; E148-T173 WeakPolarHBondContact O-CA 3.34Å; R149-T173 WeakPolarHBondContact O-CG2 3.27Å; R152-T173 HydrophobicContact CG-CG2 3.84Å; R152-T173 VanDerWaalsContact CZ-CG2 3.45Å
174	R	88.8	Confident	84.2	Confident	78 Å²	78	71.7 Å²	71.7	29%	0.294	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-84.7	164.3	167.5	-71.2	179.2	177.9	-91.6	-4.6	110.4	H144 E148 P150 E178 F179	H144-R174 WeakPolarHBondContact CD2-CD 3.23Å; H144-R174 PolarHBondContact CD2-NE 2.76Å; H144-R174 PolarHBondContact CE1-NH1 3.06Å; H144-R174 VanDerWaalsContact CE1-NH1 3.33Å; H144-R174 PolarHBondContact CE1-NH2 3.48Å; H144-R174 VanDerWaalsContact ND1-CZ 3.29Å; H144-R174 PolarHBondContact ND1-NE 3.45Å; H144-R174 PolarHBondContact ND1-NH2 2.6Å; H144-R174 PolarHBondContact NE2-NH1 2.86Å; E148-R174 HydrophobicContact CB-CG 4.34Å; E148-R174 PolarHBondContact O-N 2.87Å; E148-R174 IonicContact OE1-NE 2.68Å; E148-R174 IonicContact OE1-NH2 3.17Å; E148-R174 IonicContact OE2-NE 3.56Å; P150-R174 WeakPolarHBondContact CB-O 3.42Å; R174-E178 HydrophobicContact CB-CB 4.27Å; R174-F179 HydrophobicContact CB-CB 4.07Å
175	S	79	Confident	83.7	Confident	52 Å²	52	66.4 Å²	66.4	36%	0.364	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-71.3	155.6	171.9	69.7	0	0	0	0	111	R177 E178 F179	S175-R177 PolarHBondContact O-N 3.13Å; S175-R177 VanDerWaalsContact O-N 3.11Å; S175-E178 WeakPolarHBondContact CB-OE2 3.22Å; S175-E178 PolarHBondContact N-OE2 3.18Å; S175-E178 PolarHBondContact O-N 3.26Å; S175-E178 VanDerWaalsContact O-N 3.08Å; S175-E178 VanDerWaalsContact OG-CG 3.23Å; S175-E178 WeakPolarHBondContact OG-CG 3.32Å; S175-E178 PolarHBondContact OG-N 3.07Å; S175-E178 PolarHBondContact OG-OE2 3.21Å; S175-F179 PolarHBondContact O-N 3.23Å
176	W	73.2	Confident	83.4	Confident	34 Å²	34	64.4 Å²	64.4	13%	0.129	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.7	175.5	-63.8	88.6	0	0	0	114.5	P150 D151 V181 V424 N425 P427	P150-W176 HydrophobicContact CB-CB 4.49Å; P150-W176 HydrophobicContact CB-CD2 3.52Å; P150-W176 HydrophobicContact CB-CE3 3.94Å; P150-W176 HydrophobicContact CB-CG 3.74Å; P150-W176 HydrophobicContact CB-CZ2 4.18Å; P150-W176 HydrophobicContact CB-CZ3 4.41Å; P150-W176 HydrophobicContact CG-CB 4.47Å; P150-W176 HydrophobicContact CG-CD2 3.53Å; P150-W176 HydrophobicContact CG-CE3 3.39Å; P150-W176 HydrophobicContact CG-CG 4Å; P150-W176 HydrophobicContact CG-CH2 4.38Å; P150-W176 HydrophobicContact CG-CZ2 4.45Å; P150-W176 HydrophobicContact CG-CZ3 3.82Å; D151-W176 HydrophobicContact CB-CH2 3.58Å; D151-W176 HydrophobicContact CB-CZ2 4.27Å; D151-W176 HydrophobicContact CB-CZ3 4.13Å; W176-V181 HydrophobicContact CE3-CG2 4.21Å; W176-V181 HydrophobicContact CZ3-CB 4.45Å; W176-V181 HydrophobicContact CZ3-CG2 3.85Å; W176-V424 HydrophobicContact CE3-CG1 4.03Å; W176-V424 HydrophobicContact CH2-CG1 4.12Å; W176-V424 HydrophobicContact CZ3-CG1 3.42Å; W176-V424 VanDerWaalsContact CZ3-CG1 3.42Å; W176-N425 VanDerWaalsContact CB-C 3.44Å; W176-N425 WeakPolarHBondContact CB-O 3.22Å; W176-P427 HydrophobicContact CZ2-CB 4.3Å; W176-P427 HydrophobicContact CZ2-CG 4.33Å
177	R	68.8	Low	83.2	Confident	210 Å²	210	59.9 Å²	59.9	79%	0.792	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-40.7	173.9	-176.2	-178.4	-71.5	174.2	-4	111.6	S175	S175-R177 PolarHBondContact O-N 3.13Å; S175-R177 VanDerWaalsContact O-N 3.11Å
178	E	72.9	Confident	83.1	Confident	114 Å²	114	60.7 Å²	60.7	53%	0.533	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-26.6	179.1	-68.7	161.8	142.9	0	0	112.5	R174 S175	R174-E178 HydrophobicContact CB-CB 4.27Å; S175-E178 WeakPolarHBondContact CB-OE2 3.22Å; S175-E178 PolarHBondContact N-OE2 3.18Å; S175-E178 PolarHBondContact O-N 3.26Å; S175-E178 VanDerWaalsContact O-N 3.08Å; S175-E178 VanDerWaalsContact OG-CG 3.23Å; S175-E178 WeakPolarHBondContact OG-CG 3.32Å; S175-E178 PolarHBondContact OG-N 3.07Å; S175-E178 PolarHBondContact OG-OE2 3.21Å
179	F	78.1	Confident	83.2	Confident	19 Å²	19	56.5 Å²	56.5	8%	0.083	27%	0.268	C	S	.	.	S	Bend	trans	-134.8	78.5	178	-162.1	-24.7	0	0	0	110	H144 R149 R174 S175 V181	H144-F179 HydrophobicContact CB-CD2 3.9Å; H144-F179 HydrophobicContact CB-CE2 3.69Å; R149-F179 HydrophobicContact CB-CE2 4.41Å; R149-F179 HydrophobicContact CG-CD1 4.3Å; R149-F179 HydrophobicContact CG-CD2 4.11Å; R149-F179 HydrophobicContact CG-CE1 3.78Å; R149-F179 HydrophobicContact CG-CE2 3.55Å; R149-F179 HydrophobicContact CG-CG 4.47Å; R149-F179 HydrophobicContact CG-CZ 3.38Å; R174-F179 HydrophobicContact CB-CB 4.07Å; S175-F179 PolarHBondContact O-N 3.23Å; F179-V181 PolarHBondContact O-N 2.83Å
180	P	66.3	Low	83.4	Confident	62 Å²	62	52 Å²	52	40%	0.403	25%	0.247	S	C	.	.			trans	-61.3	130.3	171.7	-19.9	33.1	0	0	0	110.5	T182	P180-T182 PolarHBondContact O-N 3.3Å
181	V	71.3	Confident	83.6	Confident	1 Å²	1	50 Å²	50	1%	0.006	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-88.7	107.5	-178.1	178.7	0	0	0	0	109.8	P150 W176 F179 T183 W419 V424	P150-V181 HydrophobicContact CG-CG2 3.91Å; W176-V181 HydrophobicContact CE3-CG2 4.21Å; W176-V181 HydrophobicContact CZ3-CB 4.45Å; W176-V181 HydrophobicContact CZ3-CG2 3.85Å; F179-V181 PolarHBondContact O-N 2.83Å; V181-T183 VanDerWaalsContact CG1-O 3.24Å; V181-T183 WeakPolarHBondContact CG1-O 3.46Å; V181-W419 HydrophobicContact CB-CZ3 4.31Å; V181-W419 HydrophobicContact CG1-CE3 4.1Å; V181-W419 HydrophobicContact CG1-CH2 3.86Å; V181-W419 HydrophobicContact CG1-CZ3 3.36Å; V181-V424 HydrophobicContact CB-CB 4.07Å; V181-V424 WeakPolarHBondContact CB-O 3.5Å; V181-V424 PolarHBondContact N-O 3Å; V181-V424 PolarHBondContact O-N 3.11Å
182	T	72.4	Confident	83.7	Confident	39 Å²	39	50 Å²	50	24%	0.239	24%	0.237	C	C	.	.			trans	-106.6	-2.1	-179.5	56.2	0	0	0	0	113.3	P180 L231 W419 P423	P180-T182 PolarHBondContact O-N 3.3Å; T182-L231 VanDerWaalsContact O-CD1 3.25Å; T182-L231 WeakPolarHBondContact O-CD1 3.3Å; T182-W419 WeakPolarHBondContact O-CB 3.23Å; T182-P423 HydrophobicContact CG2-CB 4.38Å
183	T	76.9	Confident	83.7	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.018	21%	0.211	C	C	.	.	S	Bend	trans	-146.5	158.9	-177.6	52.7	0	0	0	0	111.1	R149 V181 L227 K228 L231	R149-T183 PolarHBondContact NH1-O 3.41Å; R149-T183 VanDerWaalsContact NH1-O 3.09Å; R149-T183 PolarHBondContact NH2-O 2.98Å; V181-T183 VanDerWaalsContact CG1-O 3.24Å; V181-T183 WeakPolarHBondContact CG1-O 3.46Å; T183-L227 HydrophobicContact CG2-CB 4.4Å; T183-L227 HydrophobicContact CG2-CD2 3.86Å; T183-L227 HydrophobicContact CG2-CG 3.84Å; T183-K228 HydrophobicContact CG2-CG 3.65Å; T183-K228 WeakPolarHBondContact OG1-CE 3.34Å; T183-K228 VanDerWaalsContact OG1-CG 3.26Å; T183-K228 WeakPolarHBondContact OG1-CG 3.29Å; T183-L231 HydrophobicContact CG2-CD1 3.88Å
184	P	80.3	Confident	83.9	Confident	69 Å²	69	41 Å²	41	45%	0.448	20%	0.203	S	C	.	.			trans	-53.9	157.3	168.1	-18.8	29.5	0	0	0	111.9	R149 D186 W419	R149-P184 PolarHBondContact NH1-O 3.23Å; P184-D186 PolarHBondContact O-N 3.1Å; P184-W419 HydrophobicContact CB-CZ2 4.25Å; P184-W419 VanDerWaalsContact CD-NE1 3.34Å; P184-W419 HydrophobicContact CG-CZ2 4.22Å; P184-W419 VanDerWaalsContact CG-NE1 3.35Å
185	Y	85.4	Confident	84.1	Confident	16 Å²	16	39.6 Å²	39.6	6%	0.063	21%	0.206	C	C	.	.			trans	-64.8	129.3	172.1	-166.4	-83.4	0	0	0	110.4	E146 N147 R149 R152 F155 V156 Y187 H192	E146-Y185 HydrophobicContact CG-CD2 4.49Å; E146-Y185 HydrophobicContact CG-CE1 4.27Å; E146-Y185 HydrophobicContact CG-CE2 4.15Å; E146-Y185 WeakPolarHBondContact O-CE2 3.45Å; N147-Y185 WeakPolarHBondContact CA-OH 3.41Å; R149-Y185 HydrophobicContact CB-CE2 4.36Å; R152-Y185 HydrophobicContact CB-CD2 4.49Å; R152-Y185 HydrophobicContact CB-CE2 3.6Å; F155-Y185 HydrophobicContact CB-CD1 3.73Å; F155-Y185 HydrophobicContact CB-CD2 4.12Å; F155-Y185 HydrophobicContact CB-CE1 4Å; F155-Y185 HydrophobicContact CB-CE2 4.37Å; F155-Y185 HydrophobicContact CB-CG 3.79Å; F155-Y185 HydrophobicContact CD1-CD1 4.37Å; F155-Y185 HydrophobicContact CD1-CG 4.04Å; F155-Y185 HydrophobicContact CD2-CD1 4.36Å; F155-Y185 AromaticContact CD2-CD2 3.49Å; F155-Y185 HydrophobicContact CD2-CD2 3.49Å; F155-Y185 VanDerWaalsContact CD2-CD2 3.49Å; F155-Y185 HydrophobicContact CD2-CE2 4.28Å; F155-Y185 AromaticContact CD2-CG 3.54Å; F155-Y185 HydrophobicContact CD2-CG 3.54Å; F155-Y185 HydrophobicContact CE2-CD2 4.09Å; F155-Y185 HydrophobicContact CE2-CG 4.1Å; F155-Y185 AromaticContact CG-CD1 3.9Å; F155-Y185 HydrophobicContact CG-CD1 3.9Å; F155-Y185 AromaticContact CG-CD2 3.89Å; F155-Y185 HydrophobicContact CG-CD2 3.89Å; F155-Y185 AromaticContact CG-CG 3.5Å; F155-Y185 HydrophobicContact CG-CG 3.5Å; F155-Y185 VanDerWaalsContact CG-CG 3.5Å; V156-Y185 HydrophobicContact CG1-CE1 4.24Å; Y185-Y187 HydrophobicContact CD1-CD1 4.26Å; Y185-Y187 HydrophobicContact CD1-CD2 4.45Å; Y185-Y187 HydrophobicContact CD1-CE1 4.2Å; Y185-Y187 HydrophobicContact CD1-CE2 4.38Å; Y185-Y187 HydrophobicContact CD1-CG 4.4Å; Y185-Y187 AromaticContact CE1-CD1 3.99Å; Y185-Y187 HydrophobicContact CE1-CD1 3.99Å; Y185-Y187 HydrophobicContact CE1-CE1 4.07Å; Y185-Y187 HydrophobicContact CE1-CG 4.45Å; Y185-H192 AromaticContact CE1-CD2 3.71Å; Y185-H192 AromaticContact CE1-NE2 3.43Å; Y185-H192 WeakPolarHBondContact CE1-NE2 2.83Å; Y185-H192 AromaticContact CZ-CD2 3.85Å; Y185-H192 AromaticContact CZ-NE2 3.46Å; Y185-H192 PolarHBondContact OH-CD2 2.8Å; Y185-H192 PolarHBondContact OH-NE2 3.35Å
186	D	89.9	Confident	84.9	Confident	22 Å²	22	40.6 Å²	40.6	12%	0.118	21%	0.21	C	C	.	.			trans	-114.9	99.3	-173.9	-178.4	9.2	0	0	0	112.4	E146 P184 E188 S189 S222 G224	E146-D186 WeakPolarHBondContact CG-O 3.44Å; E146-D186 PolarHBondContact OE1-N 2.86Å; P184-D186 PolarHBondContact O-N 3.1Å; D186-E188 PolarHBondContact O-N 3.29Å; D186-E188 PolarHBondContact OD1-N 3.41Å; D186-S189 VanDerWaalsContact CG-N 3.32Å; D186-S189 VanDerWaalsContact O-CB 3.27Å; D186-S189 WeakPolarHBondContact O-CB 3.49Å; D186-S189 PolarHBondContact O-N 3.04Å; D186-S189 VanDerWaalsContact O-N 3.17Å; D186-S189 PolarHBondContact OD1-N 2.89Å; D186-S189 WeakPolarHBondContact OD2-CA 3.35Å; D186-S189 PolarHBondContact OD2-N 2.96Å; D186-S222 WeakPolarHBondContact OD2-CB 3.46Å; D186-S222 PolarHBondContact OD2-OG 3.45Å; D186-G224 WeakPolarHBondContact OD2-CA 3.31Å
187	Y	91	Very high	85.9	Confident	16 Å²	16	39.8 Å²	39.8	6%	0.063	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.1	177	-62.1	-82.2	0	0	0	112.8	F155 V156 Y185 S189 P208 W213 I214 M215	F155-Y187 WeakPolarHBondContact CA-OH 3.38Å; F155-Y187 HydrophobicContact CB-CE1 4.21Å; F155-Y187 WeakPolarHBondContact CB-OH 3.19Å; F155-Y187 PolarHBondContact O-OH 2.87Å; F155-Y187 VanDerWaalsContact O-OH 3.06Å; V156-Y187 HydrophobicContact CG1-CD1 4.3Å; V156-Y187 HydrophobicContact CG1-CE1 3.84Å; Y185-Y187 HydrophobicContact CD1-CD1 4.26Å; Y185-Y187 HydrophobicContact CD1-CD2 4.45Å; Y185-Y187 HydrophobicContact CD1-CE1 4.2Å; Y185-Y187 HydrophobicContact CD1-CE2 4.38Å; Y185-Y187 HydrophobicContact CD1-CG 4.4Å; Y185-Y187 AromaticContact CE1-CD1 3.99Å; Y185-Y187 HydrophobicContact CE1-CD1 3.99Å; Y185-Y187 HydrophobicContact CE1-CE1 4.07Å; Y185-Y187 HydrophobicContact CE1-CG 4.45Å; Y187-S189 VanDerWaalsContact C-N 3.34Å; Y187-P208 HydrophobicContact CD1-CB 4Å; Y187-P208 HydrophobicContact CE1-CB 3.61Å; Y187-W213 HydrophobicContact CD1-CB 4.19Å; Y187-W213 HydrophobicContact CD2-CB 4.04Å; Y187-W213 AromaticContact CD2-CD2 3.82Å; Y187-W213 HydrophobicContact CD2-CD2 3.82Å; Y187-W213 HydrophobicContact CD2-CE3 4Å; Y187-W213 AromaticContact CD2-CG 3.82Å; Y187-W213 HydrophobicContact CD2-CG 3.82Å; Y187-W213 HydrophobicContact CE2-CD2 4.27Å; Y187-W213 HydrophobicContact CE2-CG 4.12Å; Y187-W213 HydrophobicContact CG-CB 3.82Å; Y187-W213 HydrophobicContact CG-CD2 4.44Å; Y187-W213 HydrophobicContact CG-CG 4.14Å; Y187-I214 CarbonylContact C-O 3.56Å; Y187-M215 HydrophobicContact CD1-CG 4.02Å; Y187-M215 HydrophobicContact CD1-SD 3.89Å; Y187-M215 WeakPolarHBondContact O-CA 3.42Å
188	E	93	Very high	87.2	Confident	92 Å²	92	33.1 Å²	33.1	43%	0.43	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-1.3	-178.1	-62.8	-172.2	169.6	0	0	112.8	D186 I190 Q217	D186-E188 PolarHBondContact O-N 3.29Å; D186-E188 PolarHBondContact OD1-N 3.41Å; E188-I190 PolarHBondContact O-N 2.82Å; E188-Q217 WeakPolarHBondContact O-CG 3.29Å; E188-Q217 PolarHBondContact O-NE2 2.83Å
189	S	95.4	Very high	88.3	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.165	C	C	.	.			trans	-52.1	135.7	178.3	173.1	0	0	0	0	110.8	D186 Y187 T191 H192 D225	D186-S189 VanDerWaalsContact CG-N 3.32Å; D186-S189 VanDerWaalsContact O-CB 3.27Å; D186-S189 WeakPolarHBondContact O-CB 3.49Å; D186-S189 PolarHBondContact O-N 3.04Å; D186-S189 VanDerWaalsContact O-N 3.17Å; D186-S189 PolarHBondContact OD1-N 2.89Å; D186-S189 WeakPolarHBondContact OD2-CA 3.35Å; D186-S189 PolarHBondContact OD2-N 2.96Å; Y187-S189 VanDerWaalsContact C-N 3.34Å; S189-T191 PolarHBondContact O-N 2.83Å; S189-T191 VanDerWaalsContact O-N 3.16Å; S189-T191 PolarHBondContact OG-N 3.14Å; S189-T191 PolarHBondContact OG-OG1 2.95Å; S189-T191 VanDerWaalsContact OG-OG1 3.07Å; S189-H192 VanDerWaalsContact O-CB 3.28Å; S189-H192 WeakPolarHBondContact O-CB 3.21Å; S189-H192 PolarHBondContact O-N 3.42Å; S189-D225 WeakPolarHBondContact CA-OD2 3.48Å; S189-D225 VanDerWaalsContact CB-OD1 3.27Å; S189-D225 WeakPolarHBondContact CB-OD1 3.49Å; S189-D225 PolarHBondContact OG-OD1 3.39Å
190	I	96.8	Very high	89	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.7	176.6	-150.1	174.7	0	0	0	111.1	G131 L134 H135 M138 E188 R218 L221 D225	G131-I190 WeakPolarHBondContact O-CD1 3.43Å; L134-I190 HydrophobicContact CB-CD1 3.42Å; L134-I190 VanDerWaalsContact CB-CD1 3.42Å; L134-I190 HydrophobicContact CD1-CD1 4.19Å; L134-I190 HydrophobicContact CG-CD1 4.47Å; H135-I190 HydrophobicContact CB-CG1 4.27Å; H135-I190 HydrophobicContact CB-CG2 4.49Å; H135-I190 PolarHBondContact ND1-O 2.88Å; M138-I190 HydrophobicContact CG-CG2 3.79Å; E188-I190 PolarHBondContact O-N 2.82Å; I190-R218 PolarHBondContact O-NE 2.82Å; I190-R218 PolarHBondContact O-NH1 2.9Å; I190-L221 HydrophobicContact CD1-CD2 4.44Å; I190-L221 HydrophobicContact CG2-CD2 3.86Å; I190-D225 WeakPolarHBondContact CB-OD2 3.38Å; I190-D225 PolarHBondContact N-OD2 3.35Å
191	T	96.1	Very high	90.2	Very high	1 Å²	1	35 Å²	35	1%	0.006	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.2	175.7	76.4	0	0	0	0	113.1	M138 H144 H145 E146 S189	M138-T191 HydrophobicContact CB-CG2 3.61Å; M138-T191 HydrophobicContact CE-CG2 4.29Å; M138-T191 HydrophobicContact CG-CG2 4.11Å; H144-T191 PolarHBondContact O-OG1 2.98Å; H145-T191 WeakPolarHBondContact CA-O 3.48Å; H145-T191 WeakPolarHBondContact CB-O 3.37Å; H145-T191 PolarHBondContact CD2-O 2.98Å; E146-T191 PolarHBondContact N-O 3.49Å; E146-T191 PolarHBondContact N-OG1 2.71Å; S189-T191 PolarHBondContact O-N 2.83Å; S189-T191 VanDerWaalsContact O-N 3.16Å; S189-T191 PolarHBondContact OG-N 3.14Å; S189-T191 PolarHBondContact OG-OG1 2.95Å; S189-T191 VanDerWaalsContact OG-OG1 3.07Å
192	H	96.6	Very high	91.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-74	137.4	176	-157.3	-62.8	0	0	0	111	E146 Y185 S189 M215 R218	E146-H192 HydrophobicContact CB-CB 3.98Å; Y185-H192 AromaticContact CE1-CD2 3.71Å; Y185-H192 AromaticContact CE1-NE2 3.43Å; Y185-H192 WeakPolarHBondContact CE1-NE2 2.83Å; Y185-H192 AromaticContact CZ-CD2 3.85Å; Y185-H192 AromaticContact CZ-NE2 3.46Å; Y185-H192 PolarHBondContact OH-CD2 2.8Å; Y185-H192 PolarHBondContact OH-NE2 3.35Å; S189-H192 VanDerWaalsContact O-CB 3.28Å; S189-H192 WeakPolarHBondContact O-CB 3.21Å; S189-H192 PolarHBondContact O-N 3.42Å; H192-M215 PolarHBondContact CE1-SD 2.99Å; H192-R218 PolarHBondContact O-NH1 3.29Å; H192-R218 PolarHBondContact O-NH2 2.99Å
193	L	95.5	Very high	92.3	Very high	11 Å²	11	43.1 Å²	43.1	6%	0.058	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-70.9	146.4	170.4	-72.1	179.5	0	0	0	112.1	N147 F171 A197 F198 L206	N147-L193 WeakPolarHBondContact OD1-CB 3.15Å; N147-L193 WeakPolarHBondContact OD1-CG 3.4Å; N147-L193 PolarHBondContact OD1-N 2.86Å; F171-L193 HydrophobicContact CE1-CD1 4.25Å; F171-L193 HydrophobicContact CZ-CD1 4.17Å; L193-A197 HydrophobicContact CB-CB 3.9Å; L193-A197 HydrophobicContact CD1-CB 4.27Å; L193-A197 HydrophobicContact CD2-CB 4.16Å; L193-A197 HydrophobicContact CG-CB 4.34Å; L193-F198 HydrophobicContact CD1-CD2 4.25Å; L193-F198 HydrophobicContact CD1-CE2 3.92Å; L193-F198 HydrophobicContact CD2-CE2 3.83Å; L193-L206 HydrophobicContact CB-CD1 3.74Å; L193-L206 HydrophobicContact CD1-CD1 4.35Å
194	G	94.4	Very high	93.2	Very high	21 Å²	21	45.8 Å²	45.8	22%	0.216	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-70.5	160.6	172.4	0	0	0	0	0	113.1	T196 A197	G194-T196 PolarHBondContact O-N 2.79Å; G194-T196 VanDerWaalsContact O-N 3.09Å; G194-A197 VanDerWaalsContact O-CB 3.24Å; G194-A197 WeakPolarHBondContact O-CB 3.48Å; G194-A197 PolarHBondContact O-N 3.24Å
195	S	94.1	Very high	93.9	Very high	50 Å²	50	42.5 Å²	42.5	35%	0.35	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.7	-174.9	60	0	0	0	0	114.8	V204 T205 L206	S195-V204 CarbonylContact O-C 3.58Å; S195-V204 WeakPolarHBondContact O-CA 3.02Å; S195-T205 PolarHBondContact O-N 3.12Å; S195-T205 PolarHBondContact O-OG1 2.84Å; S195-L206 VanDerWaalsContact CA-O 3.31Å; S195-L206 WeakPolarHBondContact CA-O 3.4Å; S195-L206 VanDerWaalsContact CB-O 3.3Å; S195-L206 WeakPolarHBondContact CB-O 3.34Å; S195-L206 PolarHBondContact O-N 3.07Å; S195-L206 VanDerWaalsContact O-N 3.17Å
196	T	95.2	Very high	94.4	Very high	73 Å²	73	41.7 Å²	41.7	45%	0.448	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	15.4	178.1	62.3	0	0	0	0	113	G194 F198 S199 G202	G194-T196 PolarHBondContact O-N 2.79Å; G194-T196 VanDerWaalsContact O-N 3.09Å; T196-F198 PolarHBondContact O-N 2.87Å; T196-S199 WeakPolarHBondContact O-CB 3.48Å; T196-S199 PolarHBondContact O-N 2.95Å; T196-G202 WeakPolarHBondContact CG2-O 3.34Å
197	A	94.5	Very high	94.4	Very high	17 Å²	17	44.7 Å²	44.7	14%	0.14	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	134.2	-179.5	0	0	0	0	0	110.7	F171 L193 G194 S199 T205	F171-A197 HydrophobicContact CZ-CB 4.31Å; F171-A197 WeakPolarHBondContact CZ-O 3.38Å; L193-A197 HydrophobicContact CB-CB 3.9Å; L193-A197 HydrophobicContact CD1-CB 4.27Å; L193-A197 HydrophobicContact CD2-CB 4.16Å; L193-A197 HydrophobicContact CG-CB 4.34Å; G194-A197 VanDerWaalsContact O-CB 3.24Å; G194-A197 WeakPolarHBondContact O-CB 3.48Å; G194-A197 PolarHBondContact O-N 3.24Å; A197-S199 PolarHBondContact O-N 3.05Å; A197-T205 PolarHBondContact N-OG1 2.89Å; A197-T205 WeakPolarHBondContact O-CB 3.2Å; A197-T205 WeakPolarHBondContact O-CG2 3.47Å; A197-T205 PolarHBondContact O-OG1 2.91Å
198	F	95.1	Very high	94.3	Very high	69 Å²	69	45.3 Å²	45.3	30%	0.303	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	29.6	177.9	-49.2	-70.7	0	0	0	115.3	I163 R164 K167 L170 F171 L193 T196	I163-F198 HydrophobicContact CG2-CB 4.47Å; R164-F198 WeakPolarHBondContact CG-O 3.24Å; R164-F198 PolarHBondContact N-O 3.49Å; K167-F198 HydrophobicContact CB-CB 3.69Å; K167-F198 HydrophobicContact CB-CD1 4.05Å; K167-F198 HydrophobicContact CB-CG 3.9Å; K167-F198 HydrophobicContact CD-CD1 3.94Å; K167-F198 HydrophobicContact CD-CE1 4.27Å; K167-F198 HydrophobicContact CG-CB 4.07Å; K167-F198 HydrophobicContact CG-CD1 3.75Å; K167-F198 HydrophobicContact CG-CG 4.12Å; L170-F198 HydrophobicContact CB-CE2 4.36Å; L170-F198 HydrophobicContact CD1-CD1 4.23Å; L170-F198 HydrophobicContact CD1-CD2 4.05Å; L170-F198 HydrophobicContact CD1-CE1 3.75Å; L170-F198 HydrophobicContact CD1-CE2 3.54Å; L170-F198 HydrophobicContact CD1-CG 4.36Å; L170-F198 HydrophobicContact CD1-CZ 3.38Å; F171-F198 HydrophobicContact CE2-CB 3.93Å; F171-F198 AromaticContact CE2-CD2 3.55Å; F171-F198 HydrophobicContact CE2-CD2 3.55Å; F171-F198 HydrophobicContact CE2-CG 4.15Å; F171-F198 HydrophobicContact CZ-CB 4.24Å; F171-F198 AromaticContact CZ-CD2 3.82Å; F171-F198 HydrophobicContact CZ-CD2 3.82Å; L193-F198 HydrophobicContact CD1-CD2 4.25Å; L193-F198 HydrophobicContact CD1-CE2 3.92Å; L193-F198 HydrophobicContact CD2-CE2 3.83Å; T196-F198 PolarHBondContact O-N 2.87Å
199	S	96.4	Very high	93.6	Very high	9 Å²	9	45.5 Å²	45.5	6%	0.063	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-72.8	151.3	-175.1	-179.3	0	0	0	0	114.3	N162 R164 T196 A197 G202 R203	N162-S199 CarbonylContact O-C 3.53Å; N162-S199 WeakPolarHBondContact O-CA 3.41Å; R164-S199 PolarHBondContact NE-O 3.08Å; T196-S199 WeakPolarHBondContact O-CB 3.48Å; T196-S199 PolarHBondContact O-N 2.95Å; A197-S199 PolarHBondContact O-N 3.05Å; S199-G202 PolarHBondContact OG-N 3.5Å; S199-R203 WeakPolarHBondContact CB-O 3.26Å; S199-R203 WeakPolarHBondContact OG-CA 3.18Å; S199-R203 PolarHBondContact OG-N 3.03Å; S199-R203 PolarHBondContact OG-O 3.39Å
200	R	92.4	Very high	92.4	Very high	126 Å²	126	53.2 Å²	53.2	48%	0.475	29%	0.29	S	S	.	.	S	Bend	trans	-83	113.4	159.8	-60.9	178.5	111.7	-175.9	2.7	108.1	N162 R164 G202 R203	N162-R200 WeakPolarHBondContact O-CB 3.44Å; N162-R200 WeakPolarHBondContact O-CG 3.19Å; N162-R200 PolarHBondContact O-N 2.68Å; R164-R200 HydrophobicContact CG-CG 4.08Å; R200-G202 VanDerWaalsContact C-N 3.3Å; R200-G202 PolarHBondContact O-N 3.02Å; R200-R203 WeakPolarHBondContact O-CG 3.29Å; R200-R203 PolarHBondContact O-N 2.79Å
201	A	91.5	Very high	90.7	Very high	101 Å²	101	57.7 Å²	57.7	84%	0.835	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	35.5	175.9	0	0	0	0	0	114.9	R203	A201-R203 PolarHBondContact O-N 3.04Å
202	G	91.9	Very high	89.1	Confident	55 Å²	55	62.6 Å²	62.6	57%	0.567	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	8.7	172.7	0	0	0	0	0	115.5	T196 S199 R200	T196-G202 WeakPolarHBondContact CG2-O 3.34Å; S199-G202 PolarHBondContact OG-N 3.5Å; R200-G202 VanDerWaalsContact C-N 3.3Å; R200-G202 PolarHBondContact O-N 3.02Å
203	R	95.8	Very high	87.9	Confident	154 Å²	154	68.6 Å²	68.6	58%	0.581	39%	0.391	S	S	*	.			trans	-63.9	151.9	173.3	-63.4	-179.2	179.1	-172.6	-0.8	112.2	N162 S199 R200 A201 T205	N162-R203 HydrophobicContact CB-CB 3.99Å; N162-R203 WeakPolarHBondContact OD1-CD 3.32Å; S199-R203 WeakPolarHBondContact CB-O 3.26Å; S199-R203 WeakPolarHBondContact OG-CA 3.18Å; S199-R203 PolarHBondContact OG-N 3.03Å; S199-R203 PolarHBondContact OG-O 3.39Å; R200-R203 WeakPolarHBondContact O-CG 3.29Å; R200-R203 PolarHBondContact O-N 2.79Å; A201-R203 PolarHBondContact O-N 3.04Å; R203-T205 PolarHBondContact O-N 3.3Å
204	V	95.1	Very high	87.1	Confident	59 Å²	59	73.7 Å²	73.7	36%	0.358	42%	0.417	S	S	.	.			trans	-62.1	129.2	172.8	177.7	0	0	0	0	110.1	Y159 N162 S195 L206 E207	Y159-V204 HydrophobicContact CD2-CG1 4.21Å; Y159-V204 HydrophobicContact CE2-CG1 4.32Å; N162-V204 VanDerWaalsContact CB-O 3.3Å; N162-V204 WeakPolarHBondContact CB-O 3.25Å; N162-V204 PolarHBondContact ND2-O 2.54Å; S195-V204 CarbonylContact O-C 3.58Å; S195-V204 WeakPolarHBondContact O-CA 3.02Å; V204-L206 WeakPolarHBondContact CG1-O 3.45Å; V204-E207 HydrophobicContact CG1-CB 4.12Å
205	T	96.6	Very high	86.9	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	41%	0.412	C	S	.	.	S	Bend	trans	-109.7	-28.3	175.8	51.4	0	0	0	0	112.4	V158 Y159 N162 I163 S195 A197 R203	V158-T205 WeakPolarHBondContact CA-O 3.37Å; Y159-T205 PolarHBondContact N-O 2.96Å; N162-T205 HydrophobicContact CB-CG2 4.04Å; I163-T205 HydrophobicContact CB-CG2 4.43Å; I163-T205 HydrophobicContact CG1-CG2 3.63Å; S195-T205 PolarHBondContact O-N 3.12Å; S195-T205 PolarHBondContact O-OG1 2.84Å; A197-T205 PolarHBondContact N-OG1 2.89Å; A197-T205 WeakPolarHBondContact O-CB 3.2Å; A197-T205 WeakPolarHBondContact O-CG2 3.47Å; A197-T205 PolarHBondContact O-OG1 2.91Å; R203-T205 PolarHBondContact O-N 3.3Å
206	L	94.3	Very high	86.9	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.2	176.1	-83.8	160.2	0	0	0	109.9	N147 V156 T157 V158 F171 L193 S195 V204 M215	N147-L206 HydrophobicContact CB-CD1 4.19Å; V156-L206 HydrophobicContact CB-CD2 4.24Å; V156-L206 HydrophobicContact CG2-CD2 3.89Å; T157-L206 WeakPolarHBondContact O-CA 3.44Å; V158-L206 HydrophobicContact CG2-CD2 3.79Å; F171-L206 HydrophobicContact CD1-CD1 3.89Å; F171-L206 HydrophobicContact CD1-CD2 4.42Å; F171-L206 HydrophobicContact CD1-CG 3.98Å; F171-L206 HydrophobicContact CE1-CD1 3.51Å; F171-L206 HydrophobicContact CE1-CG 3.72Å; L193-L206 HydrophobicContact CB-CD1 3.74Å; L193-L206 HydrophobicContact CD1-CD1 4.35Å; S195-L206 VanDerWaalsContact CA-O 3.31Å; S195-L206 WeakPolarHBondContact CA-O 3.4Å; S195-L206 VanDerWaalsContact CB-O 3.3Å; S195-L206 WeakPolarHBondContact CB-O 3.34Å; S195-L206 PolarHBondContact O-N 3.07Å; S195-L206 VanDerWaalsContact O-N 3.17Å; V204-L206 WeakPolarHBondContact CG1-O 3.45Å; L206-M215 HydrophobicContact CB-CE 4.13Å; L206-M215 WeakPolarHBondContact O-CE 3.23Å
207	E	91.5	Very high	86.9	Confident	85 Å²	85	70.5 Å²	70.5	40%	0.397	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.7	179	-177.2	174.5	-133.6	0	0	110.9	V156 T157 Y159 V204	V156-E207 CarbonylContact C-O 3.57Å; V156-E207 VanDerWaalsContact CA-O 3.24Å; V156-E207 WeakPolarHBondContact CA-O 3.37Å; T157-E207 PolarHBondContact N-O 3.42Å; T157-E207 PolarHBondContact O-N 2.85Å; Y159-E207 HydrophobicContact CD2-CB 4.49Å; Y159-E207 HydrophobicContact CE2-CB 3.71Å; Y159-E207 WeakPolarHBondContact CE2-OE2 3.12Å; Y159-E207 PolarHBondContact OH-OE2 2.82Å; V204-E207 HydrophobicContact CG1-CB 4.12Å
208	P	88.1	Confident	86.9	Confident	29 Å²	29	72.4 Å²	72.4	19%	0.188	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	138.2	176.7	31.8	-32.6	0	0	0	110.5	Y187 R210 W213 M215	Y187-P208 HydrophobicContact CD1-CB 4Å; Y187-P208 HydrophobicContact CE1-CB 3.61Å; P208-R210 PolarHBondContact O-N 2.85Å; P208-W213 HydrophobicContact CB-CB 4.37Å; P208-M215 HydrophobicContact CB-SD 4.3Å; P208-M215 HydrophobicContact CG-CE 4.41Å
209	L	79.2	Confident	86.8	Confident	95 Å²	95	74.1 Å²	74.1	50%	0.497	41%	0.412	S	S	.	.	S	Bend	trans	-71.1	-17.7	177.2	-69.1	179.9	0	0	0	112.8	F155 T157	F155-L209 WeakPolarHBondContact O-CB 3.42Å; F155-L209 PolarHBondContact O-N 3.45Å; T157-L209 WeakPolarHBondContact OG1-CD2 3.17Å
210	R	70.2	Confident	86.7	Confident	162 Å²	162	79.9 Å²	79.9	61%	0.611	44%	0.436	S	S	*	.	S	Bend	trans	-106.6	128.7	171.8	-64.7	-175.6	-178.2	-179.2	1.6	108.8	P208	P208-R210 PolarHBondContact O-N 2.85Å
211	A	59.3	Low	86.8	Confident	94 Å²	94	74.4 Å²	74.4	78%	0.777	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	152.3	177.3	0	0	0	0	0	111.5
212	A	63.3	Low	86.9	Confident	105 Å²	105	69.9 Å²	69.9	87%	0.868	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	1.9	176.8	0	0	0	0	0	118.6
213	W	71.9	Confident	86.6	Confident	126 Å²	126	71.4 Å²	71.4	48%	0.477	37%	0.373	S	S	.	.			trans	-87.4	133.8	176.7	-63.8	92.9	0	0	0	112.4	Y187 P208	Y187-W213 HydrophobicContact CD1-CB 4.19Å; Y187-W213 HydrophobicContact CD2-CB 4.04Å; Y187-W213 AromaticContact CD2-CD2 3.82Å; Y187-W213 HydrophobicContact CD2-CD2 3.82Å; Y187-W213 HydrophobicContact CD2-CE3 4Å; Y187-W213 AromaticContact CD2-CG 3.82Å; Y187-W213 HydrophobicContact CD2-CG 3.82Å; Y187-W213 HydrophobicContact CE2-CD2 4.27Å; Y187-W213 HydrophobicContact CE2-CG 4.12Å; Y187-W213 HydrophobicContact CG-CB 3.82Å; Y187-W213 HydrophobicContact CG-CD2 4.44Å; Y187-W213 HydrophobicContact CG-CG 4.14Å; P208-W213 HydrophobicContact CB-CB 4.37Å
214	I	78.7	Confident	86	Confident	118 Å²	118	64.9 Å²	64.9	61%	0.605	35%	0.354	S	S	*	.			trans	-92.7	135.1	177.3	-59.1	174.7	0	0	0	108.5	Y187	Y187-I214 CarbonylContact C-O 3.56Å
215	M	90.9	Very high	85.9	Confident	21 Å²	21	62.1 Å²	62.1	10%	0.103	34%	0.337	C	S	.	.			trans	-126.2	148.8	177.7	-61.2	-179.9	-50.9	0	0	110.8	V156 Y187 H192 L206 P208	V156-M215 HydrophobicContact CG1-SD 3.85Å; Y187-M215 HydrophobicContact CD1-CG 4.02Å; Y187-M215 HydrophobicContact CD1-SD 3.89Å; Y187-M215 WeakPolarHBondContact O-CA 3.42Å; H192-M215 PolarHBondContact CE1-SD 2.99Å; L206-M215 HydrophobicContact CB-CE 4.13Å; L206-M215 WeakPolarHBondContact O-CE 3.23Å; P208-M215 HydrophobicContact CB-SD 4.3Å; P208-M215 HydrophobicContact CG-CE 4.41Å
216	G	93.6	Very high	85.5	Confident	22 Å²	22	62.9 Å²	62.9	23%	0.227	34%	0.341	C	S	.	.			trans	84.3	19.6	174.8	0	0	0	0	0	115	R218	G216-R218 PolarHBondContact O-NH1 3.12Å
217	Q	94.8	Very high	84.9	Confident	34 Å²	34	66.1 Å²	66.1	16%	0.159	36%	0.358	C	S	.	.			trans	-60.2	146.4	171.4	72.5	79.5	14.4	0	0	110.5	E188 T219 K220	E188-Q217 WeakPolarHBondContact O-CG 3.29Å; E188-Q217 PolarHBondContact O-NE2 2.83Å; Q217-T219 PolarHBondContact OE1-OG1 3.33Å; Q217-T219 VanDerWaalsContact OE1-OG1 3.09Å; Q217-K220 PolarHBondContact NE2-O 3.37Å; Q217-K220 PolarHBondContact OE1-O 3.02Å
218	R	94.4	Very high	84.4	Confident	57 Å²	57	62.3 Å²	62.3	22%	0.215	34%	0.34	C	S	.	.			trans	-138.1	45.3	178.3	-65.3	-65.5	-177.6	-82.8	5	110.1	G131 M132 I190 H192 G216	G131-R218 WeakPolarHBondContact CA-O 3.31Å; M132-R218 HydrophobicContact CE-CG 4.18Å; I190-R218 PolarHBondContact O-NE 2.82Å; I190-R218 PolarHBondContact O-NH1 2.9Å; H192-R218 PolarHBondContact O-NH1 3.29Å; H192-R218 PolarHBondContact O-NH2 2.99Å; G216-R218 PolarHBondContact O-NH1 3.12Å
219	T	93.5	Very high	84.2	Confident	105 Å²	105	61 Å²	61	64%	0.644	33%	0.331	S	S	*	.	S	Bend	trans	-110.2	-45.8	-177.6	55.8	0	0	0	0	112.1	Q217	Q217-T219 PolarHBondContact OE1-OG1 3.33Å; Q217-T219 VanDerWaalsContact OE1-OG1 3.09Å
220	K	94.2	Very high	84	Confident	129 Å²	129	57.3 Å²	57.3	56%	0.561	31%	0.312	S	S	*	.	S	Bend	trans	-151.4	167.8	-177.2	62.3	171	-171.5	165.5	0	111.9	Q217	Q217-K220 PolarHBondContact NE2-O 3.37Å; Q217-K220 PolarHBondContact OE1-O 3.02Å
221	L	94.1	Very high	83.9	Confident	11 Å²	11	50.7 Å²	50.7	6%	0.058	29%	0.289	C	S	.	.			trans	-65.1	138	163.7	-61.6	174.9	0	0	0	109	M75 L134 M138 I190 D225 I226	M75-L221 HydrophobicContact CB-CD1 4.46Å; M75-L221 HydrophobicContact CE-CD1 4.23Å; M75-L221 HydrophobicContact CE-CD2 4.33Å; M75-L221 HydrophobicContact CG-CD1 4.37Å; L134-L221 HydrophobicContact CB-CD2 4.45Å; L134-L221 HydrophobicContact CD1-CG 4.48Å; L134-L221 HydrophobicContact CD2-CD1 4.49Å; L134-L221 HydrophobicContact CD2-CG 4.38Å; M138-L221 HydrophobicContact CG-CD2 3.84Å; M138-L221 HydrophobicContact SD-CD2 3.98Å; I190-L221 HydrophobicContact CD1-CD2 4.44Å; I190-L221 HydrophobicContact CG2-CD2 3.86Å; L221-D225 HydrophobicContact CB-CB 4.16Å; L221-D225 HydrophobicContact CD2-CB 4.11Å; L221-I226 HydrophobicContact CB-CG1 4.08Å
222	S	92.6	Very high	84.3	Confident	6 Å²	6	48 Å²	48	4%	0.042	26%	0.264	C	S	.	.			trans	-78.4	165.1	169.4	66.5	0	0	0	0	110.5	D186 G224 D225 I226	D186-S222 WeakPolarHBondContact OD2-CB 3.46Å; D186-S222 PolarHBondContact OD2-OG 3.45Å; S222-G224 PolarHBondContact O-N 3.09Å; S222-G224 PolarHBondContact OG-N 3.37Å; S222-D225 PolarHBondContact N-OD2 2.79Å; S222-D225 VanDerWaalsContact N-OD2 3.1Å; S222-D225 PolarHBondContact O-N 3.33Å; S222-D225 VanDerWaalsContact O-N 3.1Å; S222-D225 PolarHBondContact OG-N 3.35Å; S222-D225 PolarHBondContact OG-OD2 2Å; S222-D225 VanDerWaalsContact OG-OD2 3.1Å; S222-I226 WeakPolarHBondContact O-CG1 3.49Å; S222-I226 PolarHBondContact O-N 3.14Å
223	D	87.1	Confident	83.9	Confident	87 Å²	87	44.9 Å²	44.9	47%	0.465	23%	0.233	S	C	.	.	H	α-helix	trans	-58.3	-31.2	171	-60.8	-8.2	0	0	0	111.3	L227	D223-L227 WeakPolarHBondContact O-CB 3.44Å; D223-L227 PolarHBondContact O-N 2.91Å
224	G	83.5	Confident	82.6	Confident	18 Å²	18	41.1 Å²	41.1	19%	0.186	23%	0.233	C	C	.	.	H	α-helix	trans	-70.6	-38	175.7	0	0	0	0	0	113.2	D186 S222 K228	D186-G224 WeakPolarHBondContact OD2-CA 3.31Å; S222-G224 PolarHBondContact O-N 3.09Å; S222-G224 PolarHBondContact OG-N 3.37Å; G224-K228 VanDerWaalsContact O-CG 3.25Å; G224-K228 WeakPolarHBondContact O-CG 3.33Å; G224-K228 PolarHBondContact O-N 2.83Å
225	D	91.4	Very high	80.7	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-47.4	173.9	-66.5	-34.8	0	0	0	110.9	M138 S189 I190 L221 S222 L227 K228 V229	M138-D225 HydrophobicContact CE-CB 3.91Å; M138-D225 HydrophobicContact SD-CB 4.46Å; S189-D225 WeakPolarHBondContact CA-OD2 3.48Å; S189-D225 VanDerWaalsContact CB-OD1 3.27Å; S189-D225 WeakPolarHBondContact CB-OD1 3.49Å; S189-D225 PolarHBondContact OG-OD1 3.39Å; I190-D225 WeakPolarHBondContact CB-OD2 3.38Å; I190-D225 PolarHBondContact N-OD2 3.35Å; L221-D225 HydrophobicContact CB-CB 4.16Å; L221-D225 HydrophobicContact CD2-CB 4.11Å; S222-D225 PolarHBondContact N-OD2 2.79Å; S222-D225 VanDerWaalsContact N-OD2 3.1Å; S222-D225 PolarHBondContact O-N 3.33Å; S222-D225 VanDerWaalsContact O-N 3.1Å; S222-D225 PolarHBondContact OG-N 3.35Å; S222-D225 PolarHBondContact OG-OD2 2Å; S222-D225 VanDerWaalsContact OG-OD2 3.1Å; D225-L227 VanDerWaalsContact C-N 3.34Å; D225-L227 PolarHBondContact O-N 2.77Å; D225-K228 WeakPolarHBondContact O-CB 3.08Å; D225-K228 PolarHBondContact O-N 2.97Å; D225-K228 IonicContact OD1-NZ 2.86Å; D225-V229 WeakPolarHBondContact O-CG2 3.45Å; D225-V229 PolarHBondContact O-N 3.42Å; D225-V229 VanDerWaalsContact O-N 3.15Å
226	I	88.7	Confident	78.1	Confident	16 Å²	16	36.5 Å²	36.5	8%	0.082	21%	0.214	C	C	.	.	H	α-helix	trans	-58.1	-49.5	177.6	-65.4	165.2	0	0	0	109.9	E78 T79 L221 S222 K228 V229 E230	E78-I226 HydrophobicContact CB-CD1 3.85Å; E78-I226 HydrophobicContact CB-CG1 3.99Å; E78-I226 HydrophobicContact CG-CD1 4.2Å; E78-I226 VanDerWaalsContact O-CG2 3.25Å; E78-I226 WeakPolarHBondContact O-CG2 3.45Å; T79-I226 HydrophobicContact CG2-CG2 4.37Å; L221-I226 HydrophobicContact CB-CG1 4.08Å; S222-I226 WeakPolarHBondContact O-CG1 3.49Å; S222-I226 PolarHBondContact O-N 3.14Å; I226-K228 VanDerWaalsContact C-N 3.3Å; I226-K228 PolarHBondContact O-N 2.92Å; I226-V229 PolarHBondContact O-N 2.9Å; I226-E230 HydrophobicContact CG2-CG 4.42Å; I226-E230 WeakPolarHBondContact O-CG 3.44Å; I226-E230 PolarHBondContact O-N 3.43Å; I226-E230 VanDerWaalsContact O-N 3.08Å
227	L	81.4	Confident	75.3	Confident	68 Å²	68	38.3 Å²	38.3	36%	0.356	22%	0.221	S	C	.	.	H	α-helix	trans	-58.4	-42	178.1	-178.7	61	0	0	0	112	T183 D223 D225 V229 E230 L231	T183-L227 HydrophobicContact CG2-CB 4.4Å; T183-L227 HydrophobicContact CG2-CD2 3.86Å; T183-L227 HydrophobicContact CG2-CG 3.84Å; D223-L227 WeakPolarHBondContact O-CB 3.44Å; D223-L227 PolarHBondContact O-N 2.91Å; D225-L227 VanDerWaalsContact C-N 3.34Å; D225-L227 PolarHBondContact O-N 2.77Å; L227-V229 VanDerWaalsContact C-N 3.34Å; L227-V229 PolarHBondContact O-N 3.07Å; L227-E230 PolarHBondContact O-N 3.06Å; L227-L231 HydrophobicContact CD1-CD1 4.19Å; L227-L231 HydrophobicContact CD1-CD2 4.32Å; L227-L231 HydrophobicContact CD1-CG 4.05Å; L227-L231 HydrophobicContact CG-CD1 4.13Å; L227-L231 HydrophobicContact CG-CG 4.33Å; L227-L231 VanDerWaalsContact O-CG 3.23Å; L227-L231 WeakPolarHBondContact O-CG 3.39Å; L227-L231 PolarHBondContact O-N 2.88Å
228	K	82.3	Confident	72.2	Confident	5 Å²	5	45.1 Å²	45.1	2%	0.022	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-46.6	178.2	-76.5	167	-164.2	161	0	111.7	F143 E146 T183 G224 D225 I226 L231 S232	F143-K228 HydrophobicContact CD1-CB 4.28Å; F143-K228 HydrophobicContact CD1-CD 4.44Å; F143-K228 HydrophobicContact CE1-CB 3.61Å; F143-K228 HydrophobicContact CE1-CD 4.48Å; F143-K228 HydrophobicContact CE1-CG 4.33Å; F143-K228 HydrophobicContact CE2-CB 4.47Å; F143-K228 HydrophobicContact CZ-CB 3.71Å; F143-K228 WeakPolarHBondContact CZ-O 3.29Å; E146-K228 IonicContact OE1-NZ 3.45Å; E146-K228 PolarHBondContact OE1-NZ 3.43Å; E146-K228 IonicContact OE2-NZ 2.76Å; E146-K228 PolarHBondContact OE2-NZ 3.35Å; T183-K228 HydrophobicContact CG2-CG 3.65Å; T183-K228 WeakPolarHBondContact OG1-CE 3.34Å; T183-K228 VanDerWaalsContact OG1-CG 3.26Å; T183-K228 WeakPolarHBondContact OG1-CG 3.29Å; G224-K228 VanDerWaalsContact O-CG 3.25Å; G224-K228 WeakPolarHBondContact O-CG 3.33Å; G224-K228 PolarHBondContact O-N 2.83Å; D225-K228 WeakPolarHBondContact O-CB 3.08Å; D225-K228 PolarHBondContact O-N 2.97Å; D225-K228 IonicContact OD1-NZ 2.86Å; I226-K228 VanDerWaalsContact C-N 3.3Å; I226-K228 PolarHBondContact O-N 2.92Å; K228-L231 PolarHBondContact O-N 3.49Å; K228-S232 PolarHBondContact O-N 2.71Å; K228-S232 PolarHBondContact O-OG 2.84Å
229	V	82.8	Confident	69.2	Low	1 Å²	1	44.6 Å²	44.6	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-60	-50.3	179.5	177.2	0	0	0	0	110.2	T79 V81 M138 I141 F143 D225 I226 L227 L231 S232 D233	T79-V229 HydrophobicContact CG2-CB 4Å; T79-V229 HydrophobicContact CG2-CG1 3.9Å; T79-V229 HydrophobicContact CG2-CG2 4.31Å; V81-V229 HydrophobicContact CG2-CG1 3.63Å; M138-V229 HydrophobicContact CE-CG2 4.33Å; M138-V229 HydrophobicContact SD-CG2 3.84Å; I141-V229 HydrophobicContact CD1-CG2 4.27Å; F143-V229 HydrophobicContact CD2-CG2 4.44Å; F143-V229 HydrophobicContact CE2-CB 4.43Å; F143-V229 HydrophobicContact CE2-CG2 3.72Å; F143-V229 HydrophobicContact CZ-CG2 4.43Å; D225-V229 WeakPolarHBondContact O-CG2 3.45Å; D225-V229 PolarHBondContact O-N 3.42Å; D225-V229 VanDerWaalsContact O-N 3.15Å; I226-V229 PolarHBondContact O-N 2.9Å; L227-V229 VanDerWaalsContact C-N 3.34Å; L227-V229 PolarHBondContact O-N 3.07Å; V229-L231 VanDerWaalsContact C-N 3.26Å; V229-L231 PolarHBondContact O-N 2.95Å; V229-S232 WeakPolarHBondContact CA-OG 3.29Å; V229-S232 PolarHBondContact O-N 2.91Å; V229-S232 PolarHBondContact O-OG 2.79Å; V229-D233 PolarHBondContact O-N 3.23Å; V229-D233 VanDerWaalsContact O-N 3.14Å
230	E	75.2	Confident	66.1	Low	19 Å²	19	43.9 Å²	43.9	9%	0.089	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-32	179.7	-67.5	-63.3	128.4	0	0	113.3	T79 C80 I226 L227	T79-E230 WeakPolarHBondContact CA-OE1 3.24Å; C80-E230 PolarHBondContact N-OE1 3.08Å; I226-E230 HydrophobicContact CG2-CG 4.42Å; I226-E230 WeakPolarHBondContact O-CG 3.44Å; I226-E230 PolarHBondContact O-N 3.43Å; I226-E230 VanDerWaalsContact O-N 3.08Å; L227-E230 PolarHBondContact O-N 3.06Å
231	L	68.1	Low	62.9	Low	23 Å²	23	44.7 Å²	44.7	12%	0.12	24%	0.243	C	C	.	.	H	α-helix	trans	-77.7	-25.5	174.9	-65	-174	0	0	0	113.5	T182 T183 L227 K228 V229 A236 T420	T182-L231 VanDerWaalsContact O-CD1 3.25Å; T182-L231 WeakPolarHBondContact O-CD1 3.3Å; T183-L231 HydrophobicContact CG2-CD1 3.88Å; L227-L231 HydrophobicContact CD1-CD1 4.19Å; L227-L231 HydrophobicContact CD1-CD2 4.32Å; L227-L231 HydrophobicContact CD1-CG 4.05Å; L227-L231 HydrophobicContact CG-CD1 4.13Å; L227-L231 HydrophobicContact CG-CG 4.33Å; L227-L231 VanDerWaalsContact O-CG 3.23Å; L227-L231 WeakPolarHBondContact O-CG 3.39Å; L227-L231 PolarHBondContact O-N 2.88Å; K228-L231 PolarHBondContact O-N 3.49Å; V229-L231 VanDerWaalsContact C-N 3.26Å; V229-L231 PolarHBondContact O-N 2.95Å; L231-A236 HydrophobicContact CD2-CB 3.53Å; L231-T420 HydrophobicContact CD1-CG2 3.88Å; L231-T420 HydrophobicContact CD2-CG2 3.22Å; L231-T420 HydrophobicContact CG-CG2 4.18Å
232	S	67.3	Low	59.9	Low	36 Å²	36	47.4 Å²	47.4	25%	0.252	27%	0.268	S	S	.	.	H	α-helix	trans	-82.6	-32.3	-179.3	60.5	0	0	0	0	114	F143 K228 V229 G234	F143-S232 WeakPolarHBondContact CZ-OG 3.39Å; K228-S232 PolarHBondContact O-N 2.71Å; K228-S232 PolarHBondContact O-OG 2.84Å; V229-S232 WeakPolarHBondContact CA-OG 3.29Å; V229-S232 PolarHBondContact O-N 2.91Å; V229-S232 PolarHBondContact O-OG 2.79Å; S232-G234 PolarHBondContact O-N 3.46Å; S232-G234 VanDerWaalsContact O-N 3.13Å
233	D	56.5	Low	57.1	Low	41 Å²	41	49.8 Å²	49.8	22%	0.219	28%	0.277	C	S	.	.	S	Bend	trans	-79.2	10.8	-174	-170.5	31.5	0	0	0	113.8	G50 C80 V229 S235	G50-D233 PolarHBondContact N-OD1 3.09Å; G50-D233 VanDerWaalsContact N-OD1 3.13Å; C80-D233 WeakPolarHBondContact CB-OD2 3.31Å; V229-D233 PolarHBondContact O-N 3.23Å; V229-D233 VanDerWaalsContact O-N 3.14Å; D233-S235 PolarHBondContact O-N 2.93Å; D233-S235 PolarHBondContact O-OG 3.07Å; D233-S235 PolarHBondContact OD2-OG 3.47Å
234	G	42.6	Very low	54.6	Low	46 Å²	46	51.6 Å²	51.6	47%	0.474	29%	0.287	S	S	.	.	S	Bend	trans	69.5	-14.7	178.9	0	0	0	0	0	115.5	S232 A236 V237	S232-G234 PolarHBondContact O-N 3.46Å; S232-G234 VanDerWaalsContact O-N 3.13Å; G234-A236 PolarHBondContact O-N 3.05Å; G234-A236 VanDerWaalsContact O-N 3.17Å; G234-V237 PolarHBondContact O-N 3.3Å; G234-V237 VanDerWaalsContact O-N 3.14Å
235	S	39.8	Very low	52.1	Low	25 Å²	25	58 Å²	58	18%	0.175	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-26	175.1	12.5	0	0	0	0	112.4	D233 V237 R238	D233-S235 PolarHBondContact O-N 2.93Å; D233-S235 PolarHBondContact O-OG 3.07Å; D233-S235 PolarHBondContact OD2-OG 3.47Å; S235-V237 PolarHBondContact O-N 3.38Å; S235-V237 VanDerWaalsContact O-N 3.14Å; S235-R238 PolarHBondContact O-N 3.33Å
236	A	37	Very low	49.3	Very low	18 Å²	18	61.6 Å²	61.6	15%	0.149	33%	0.331	C	S	.	.	H	α-helix	trans	-63.6	-15.4	175.5	0	0	0	0	0	115.5	L231 G234 R238	L231-A236 HydrophobicContact CD2-CB 3.53Å; G234-A236 PolarHBondContact O-N 3.05Å; G234-A236 VanDerWaalsContact O-N 3.17Å; A236-R238 VanDerWaalsContact C-N 3.35Å
237	V	33.2	Very low	46.7	Very low	59 Å²	59	63.9 Å²	63.9	36%	0.358	35%	0.353	S	S	.	.	H	α-helix	trans	-78.2	-19.1	178	-178.2	0	0	0	0	112.2	G234 S235	G234-V237 PolarHBondContact O-N 3.3Å; G234-V237 VanDerWaalsContact O-N 3.14Å; S235-V237 PolarHBondContact O-N 3.38Å; S235-V237 VanDerWaalsContact O-N 3.14Å
238	R	31	Very low	44.5	Very low	178 Å²	178	69 Å²	69	67%	0.672	37%	0.372	S	S	*	.	H	α-helix	trans	-99.3	-24	178	-74.9	-177	171	-169.2	-2	114.8	E27 S235 A236 L240 F241 A242	E27-R238 WeakPolarHBondContact OE1-CD 3.41Å; E27-R238 IonicContact OE1-CZ 3.61Å; E27-R238 IonicContact OE1-NE 3.69Å; E27-R238 IonicContact OE1-NH1 3.74Å; E27-R238 PolarHBondContact OE1-NH1 3.31Å; S235-R238 PolarHBondContact O-N 3.33Å; A236-R238 VanDerWaalsContact C-N 3.35Å; R238-L240 PolarHBondContact O-N 3.3Å; R238-F241 PolarHBondContact O-N 3.38Å; R238-A242 WeakPolarHBondContact O-CB 3.49Å; R238-A242 PolarHBondContact O-N 2.75Å; R238-A242 VanDerWaalsContact O-N 3.09Å
239	V	30.4	Very low	42.1	Very low	45 Å²	45	76.2 Å²	76.2	27%	0.273	40%	0.404	S	S	.	.	H	α-helix	trans	-74.2	-27.1	-174.4	-179.9	0	0	0	0	113.5	K243	V239-K243 HydrophobicContact CG1-CD 4.24Å
240	L	28.9	Very low	39.7	Very low	91 Å²	91	85.7 Å²	85.7	48%	0.476	44%	0.439	S	S	.	.	H	α-helix	trans	-83.1	-22.6	177.3	-77.8	166.4	0	0	0	113.9	R238	R238-L240 PolarHBondContact O-N 3.3Å
241	F	27.7	Very low	37.6	Very low	145 Å²	145	89 Å²	89	64%	0.636	46%	0.455	S	S	*	.	H	α-helix	trans	-93.5	-28.8	177.1	-74.3	-77.4	0	0	0	113.3	R238	R238-F241 PolarHBondContact O-N 3.38Å
242	A	30.3	Very low	35.8	Very low	69 Å²	69	98.6 Å²	98.6	57%	0.57	49%	0.49	S	S	*	.	H	α-helix	trans	-76.9	-20.2	179.3	0	0	0	0	0	114.4	R238	R238-A242 WeakPolarHBondContact O-CB 3.49Å; R238-A242 PolarHBondContact O-N 2.75Å; R238-A242 VanDerWaalsContact O-N 3.09Å
243	K	33.1	Very low	34.1	Very low	56 Å²	56	104.3 Å²	104.3	24%	0.243	52%	0.517	C	S	.	.	H	α-helix	trans	-84.6	-9.3	-176.8	-77.4	179.8	179	165.7	0	115.1	L18 L21 V239 A247	L18-K243 HydrophobicContact CD2-CD 4.23Å; L21-K243 PolarHBondContact O-NZ 3.31Å; V239-K243 HydrophobicContact CG1-CD 4.24Å; K243-A247 WeakPolarHBondContact O-CB 3.47Å
244	N	34.9	Very low	32.8	Very low	124 Å²	124	111.9 Å²	111.9	66%	0.663	55%	0.548	S	S	*	.	H	α-helix	trans	-85.4	-22.4	-177.5	-110.6	-22.4	0	0	0	114.7
245	E	32.6	Very low	32.4	Very low	153 Å²	153	116.5 Å²	116.5	72%	0.715	56%	0.557	S	S	*	*	H	α-helix	trans	-94.8	-32.2	179.8	-76.1	-160.5	153	0	0	114.3
246	D	31.6	Very low	32.1	Very low	76 Å²	76	119.2 Å²	119.2	41%	0.406	57%	0.569	S	S	.	*	H	α-helix	trans	-98.9	-21.4	-174.1	-89.6	-7.6	0	0	0	114.7	F248 K249	D246-F248 PolarHBondContact O-N 3.49Å; D246-K249 PolarHBondContact O-N 3.48Å
247	A	35	Very low	31.8	Very low	64 Å²	64	126.4 Å²	126.4	53%	0.529	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67	-25.2	171.2	0	0	0	0	0	112.2	K243	K243-A247 WeakPolarHBondContact O-CB 3.47Å
248	F	33.7	Very low	31.5	Very low	175 Å²	175	132.4 Å²	132.4	77%	0.768	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-22.7	174.3	-108.9	-87.4	0	0	0	113.6	D246	D246-F248 PolarHBondContact O-N 3.49Å
249	K	33.2	Very low	31.5	Very low	157 Å²	157	129.4 Å²	129.4	68%	0.683	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-15.4	-175.5	-77.1	176.4	-177.2	165.3	0	114.7	D246	D246-K249 PolarHBondContact O-N 3.48Å
250	R	31.7	Very low	31.3	Very low	200 Å²	200	129.9 Å²	129.9	76%	0.755	62%	0.62	S	S	*	*	S	Bend	trans	-109.9	6.9	-174.3	-60.1	-172.8	-150.6	-151.9	4.9	115.4	R252	R250-R252 PolarHBondContact O-N 2.76Å
251	M	30.6	Very low	31.3	Very low	87 Å²	87	131.3 Å²	131.3	43%	0.429	63%	0.627	S	S	.	*			trans	-73.8	114.6	169.9	-75.6	-176.5	68.3	0	0	110.4	E255	M251-E255 HydrophobicContact CE-CB 4.32Å
252	R	31.8	Very low	31.3	Very low	226 Å²	226	133 Å²	133	85%	0.853	64%	0.635	S	S	*	*			trans	-65.7	138.8	174.6	-67.7	-174.8	-172.7	-176.7	3.4	110.1	R250 K254	R250-R252 PolarHBondContact O-N 2.76Å; R252-K254 PolarHBondContact O-N 2.91Å
253	L	30	Very low	31.2	Very low	155 Å²	155	136.8 Å²	136.8	81%	0.812	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	19.5	-171.4	-95.5	149.7	0	0	0	119.1
254	K	30.6	Very low	30.8	Very low	200 Å²	200	141.2 Å²	141.2	87%	0.87	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	-5.6	177.2	-71.4	-172	175	-176.8	0	115.3	R252	R252-K254 PolarHBondContact O-N 2.91Å
255	E	34.3	Very low	30.4	Very low	143 Å²	143	140.1 Å²	140.1	67%	0.668	67%	0.672	S	S	*	*	S	Bend	trans	-105.1	-2.1	173.1	-66.9	175.3	162.9	0	0	112.9	M251 F257	M251-E255 HydrophobicContact CE-CB 4.32Å; E255-F257 VanDerWaalsContact C-N 3.28Å; E255-F257 PolarHBondContact O-N 2.67Å
256	I	33.1	Very low	30.1	Very low	82 Å²	82	136.1 Å²	136.1	42%	0.421	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.6	-3.6	179.9	-62.2	174.4	0	0	0	112.5	S260	I256-S260 PolarHBondContact O-OG 2.7Å
257	F	29.5	Very low	29.7	Very low	170 Å²	170	136.4 Å²	136.4	75%	0.746	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-4.8	-176.1	-142.7	-98.1	0	0	0	115.1	E255	E255-F257 VanDerWaalsContact C-N 3.28Å; E255-F257 PolarHBondContact O-N 2.67Å
258	F	28	Very low	29.3	Very low	184 Å²	184	141.3 Å²	141.3	81%	0.807	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	-5.2	176.3	-97.9	-84.2	0	0	0	114.7
259	I	29.9	Very low	28.8	Very low	116 Å²	116	136.5 Å²	136.5	60%	0.595	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	-10.2	175.1	-63.6	175.7	0	0	0	111.4
260	S	26.1	Very low	28.3	Very low	55 Å²	55	139.9 Å²	139.9	39%	0.385	71%	0.709	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.4	2.1	-176.3	27.4	0	0	0	0	115.2	I256	I256-S260 PolarHBondContact O-OG 2.7Å
261	I	29.4	Very low	27.9	Very low	121 Å²	121	138 Å²	138	62%	0.621	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	-10.4	177.9	-70.7	173.2	0	0	0	113.4
262	F	29.2	Very low	27.6	Very low	180 Å²	180	138.8 Å²	138.8	79%	0.789	72%	0.722	S	S	*	*	S	Bend	trans	-96.2	-2.3	176	-95.2	-86.4	0	0	0	114.8
263	L	27.3	Very low	27.3	Very low	148 Å²	148	134 Å²	134	78%	0.775	72%	0.721	S	S	*	*	S	Bend	trans	-104.3	6.5	177.5	-71.2	170.3	0	0	0	113.9
264	L	25.5	Very low	27.1	Very low	149 Å²	149	133.7 Å²	133.7	78%	0.78	72%	0.72	S	S	*	*	S	Bend	trans	-122	9.3	-179.7	-83.6	160.1	0	0	0	114.7
265	S	25.9	Very low	26.8	Very low	101 Å²	101	130.2 Å²	130.2	71%	0.706	70%	0.702	S	S	*	*	S	Bend	trans	-114.6	28.8	173.2	57.3	0	0	0	0	114.1
266	G	26.3	Very low	26.4	Very low	70 Å²	70	134 Å²	134	72%	0.722	71%	0.711	S	S	*	*			trans	-127.6	13.7	174.8	0	0	0	0	0	114.5	I268	G266-I268 PolarHBondContact O-N 3.15Å; G266-I268 VanDerWaalsContact O-N 3.12Å
267	A	23.7	Very low	26.2	Very low	82 Å²	82	135.5 Å²	135.5	68%	0.678	72%	0.716	S	S	*	*			trans	-77.7	93.4	172	0	0	0	0	0	109.2
268	I	25.7	Very low	26	Very low	166 Å²	166	134.5 Å²	134.5	85%	0.851	72%	0.718	S	S	*	*			trans	169.8	84.3	143.9	-77.7	147.2	0	0	0	105.3	G266	G266-I268 PolarHBondContact O-N 3.15Å; G266-I268 VanDerWaalsContact O-N 3.12Å
269	G	23.7	Very low	26	Very low	74 Å²	74	127.6 Å²	127.6	76%	0.763	69%	0.691	S	S	*	*			trans	-157.2	47.1	173.4	0	0	0	0	0	108.2
270	W	21.6	Very low	26.2	Very low	229 Å²	229	124.8 Å²	124.8	87%	0.867	67%	0.673	S	S	*	*			trans	-74.7	136.2	179	-79.6	80.6	0	0	0	109.6
271	L	22.9	Very low	26.4	Very low	159 Å²	159	122.9 Å²	122.9	83%	0.832	66%	0.659	S	S	*	*	S	Bend	trans	104.1	28.9	159.2	-56.6	169.7	0	0	0	121.1
272	V	24.8	Very low	26.5	Very low	104 Å²	104	117.2 Å²	117.2	63%	0.63	63%	0.63	S	S	*	*	S	Bend	trans	-142	130.2	151.5	-171.8	0	0	0	0	109.3	N274	V272-N274 PolarHBondContact O-N 3.21Å
273	P	26.4	Very low	26.9	Very low	127 Å²	127	110 Å²	110	83%	0.825	60%	0.601	S	S	*	*			trans	-70.3	98.4	178.1	5.5	6.7	0	0	0	109.9	Y275	P273-Y275 PolarHBondContact O-N 2.81Å; P273-Y275 VanDerWaalsContact O-N 3.07Å
274	N	24.6	Very low	27.5	Very low	148 Å²	148	105.1 Å²	105.1	79%	0.791	58%	0.582	S	S	*	*			trans	-66.8	102.3	168.3	-88	-41.1	0	0	0	109.7	V272 R276	V272-N274 PolarHBondContact O-N 3.21Å; N274-R276 PolarHBondContact O-N 3.19Å
275	Y	25.3	Very low	28.1	Very low	127 Å²	127	100.8 Å²	100.8	50%	0.498	56%	0.559	S	S	.	*			trans	-63.2	94.6	164.6	-169.8	-98.2	0	0	0	108.5	P273 E277 F362	P273-Y275 PolarHBondContact O-N 2.81Å; P273-Y275 VanDerWaalsContact O-N 3.07Å; Y275-E277 PolarHBondContact O-N 3.35Å; Y275-F362 HydrophobicContact CD1-CZ 4.43Å; Y275-F362 HydrophobicContact CE1-CE1 4.18Å; Y275-F362 HydrophobicContact CE1-CZ 4.25Å
276	R	25.4	Very low	28.8	Very low	223 Å²	223	96.7 Å²	96.7	84%	0.842	53%	0.532	S	S	*	.			trans	-66.8	115	173.8	-80.8	-179.9	172	173.8	-3	109.5	N274 N278	N274-R276 PolarHBondContact O-N 3.19Å; R276-N278 PolarHBondContact O-N 2.78Å; R276-N278 VanDerWaalsContact O-N 3.08Å
277	E	29.8	Very low	29.9	Very low	112 Å²	112	95.8 Å²	95.8	52%	0.523	51%	0.514	S	S	.	.			trans	-66.8	100.2	172.4	-64.1	-171	149.9	0	0	110.6	Y275 R280	Y275-E277 PolarHBondContact O-N 3.35Å; E277-R280 IonicContact OE1-CZ 3.81Å; E277-R280 IonicContact OE1-NE 3.16Å; E277-R280 IonicContact OE1-NH2 3.45Å; E277-R280 PolarHBondContact OE1-NH2 2.73Å; E277-R280 IonicContact OE2-CZ 2.82Å; E277-R280 IonicContact OE2-NE 3.86Å; E277-R280 IonicContact OE2-NH2 2.71Å; E277-R280 PolarHBondContact OE2-NH2 2.59Å; E277-R280 VanDerWaalsContact OE2-NH2 3.08Å
278	N	25.4	Very low	31.5	Very low	149 Å²	149	98.3 Å²	98.3	80%	0.797	52%	0.517	S	S	*	.			trans	-125	33.3	174.4	-105	1	0	0	0	111.7	R276	R276-N278 PolarHBondContact O-N 2.78Å; R276-N278 VanDerWaalsContact O-N 3.08Å
279	T	27.3	Very low	33.4	Very low	40 Å²	40	95 Å²	95	25%	0.245	50%	0.498	C	S	.	.			trans	-150.4	88.3	-179.9	48.6	0	0	0	0	111.7	W290 Q356	T279-W290 HydrophobicContact CG2-CH2 3.94Å; T279-Q356 PolarHBondContact OG1-OE1 3.39Å
280	R	33.8	Very low	35.7	Very low	57 Å²	57	93.3 Å²	93.3	22%	0.215	47%	0.468	C	S	.	.			trans	-148.7	90.9	171.9	-67.1	-172.3	-176.3	-153.1	3.6	112.9	E277 V353 Y417	E277-R280 IonicContact OE1-CZ 3.81Å; E277-R280 IonicContact OE1-NE 3.16Å; E277-R280 IonicContact OE1-NH2 3.45Å; E277-R280 PolarHBondContact OE1-NH2 2.73Å; E277-R280 IonicContact OE2-CZ 2.82Å; E277-R280 IonicContact OE2-NE 3.86Å; E277-R280 IonicContact OE2-NH2 2.71Å; E277-R280 PolarHBondContact OE2-NH2 2.59Å; E277-R280 VanDerWaalsContact OE2-NH2 3.08Å; R280-V353 HydrophobicContact CG-CB 4.43Å; R280-V353 VanDerWaalsContact CZ-CG2 3.46Å; R280-Y417 HydrophobicContact CB-CE1 4.06Å; R280-Y417 WeakPolarHBondContact CD-OH 3.31Å
281	P	29.8	Very low	38.4	Very low	15 Å²	15	86.5 Å²	86.5	10%	0.097	45%	0.447	C	S	.	.			trans	-72.6	138.4	145.1	0.6	18.1	0	0	0	108.4	A286 W290 L421	P281-A286 HydrophobicContact CB-CB 3.93Å; P281-A286 HydrophobicContact CG-CB 4.14Å; P281-W290 HydrophobicContact CG-CD2 4.37Å; P281-W290 HydrophobicContact CG-CG 4.4Å; P281-L421 HydrophobicContact CB-CD2 3.91Å
282	G	31.2	Very low	41.5	Very low	1 Å²	1	79.7 Å²	79.7	1%	0.01	41%	0.41	C	S	.	.			trans	-80.7	178.9	165.3	0	0	0	0	0	111.6	A284 L421	G282-A284 PolarHBondContact O-N 3.36Å; G282-L421 CarbonylContact C-O 3.5Å; G282-L421 WeakPolarHBondContact CA-O 3.18Å; G282-L421 PolarHBondContact N-O 3.48Å
283	V	39.1	Very low	44.4	Very low	29 Å²	29	77.9 Å²	77.9	18%	0.176	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-14.4	-157.9	179.3	0	0	0	0	118	G385 F386 H477	V283-G385 WeakPolarHBondContact CG2-O 3.37Å; V283-F386 HydrophobicContact CG2-CB 4.46Å; V283-F386 HydrophobicContact CG2-CD2 4.06Å; V283-F386 HydrophobicContact CG2-CG 4.26Å; V283-H477 WeakPolarHBondContact CG1-CE1 3.46Å; V283-H477 WeakPolarHBondContact CG1-NE2 3.19Å
284	A	38.8	Very low	47.3	Very low	46 Å²	46	78.8 Å²	78.8	38%	0.38	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	10.3	-166.4	0	0	0	0	0	117.7	G282 P423	G282-A284 PolarHBondContact O-N 3.36Å; A284-P423 HydrophobicContact CB-CB 3.9Å; A284-P423 HydrophobicContact CB-CG 3.54Å
285	L	39	Very low	50.3	Low	57 Å²	57	77.5 Å²	77.5	30%	0.298	38%	0.383	S	S	.	.	S	Bend	trans	-134.7	20	170.6	-76.1	-173	0	0	0	114.7	T420 P423	L285-T420 WeakPolarHBondContact CB-O 3.41Å; L285-T420 WeakPolarHBondContact CD1-O 3.47Å; L285-T420 VanDerWaalsContact CG-O 3.22Å; L285-T420 WeakPolarHBondContact CG-O 3.25Å; L285-P423 HydrophobicContact CG-CG 4.32Å
286	A	39.3	Very low	53.5	Low	16 Å²	16	73.2 Å²	73.2	13%	0.132	37%	0.37	C	S	.	.			trans	-96	121.7	-171.8	0	0	0	0	0	110.1	P281 W290	P281-A286 HydrophobicContact CB-CB 3.93Å; P281-A286 HydrophobicContact CG-CB 4.14Å; A286-W290 HydrophobicContact CB-CB 3.48Å; A286-W290 VanDerWaalsContact CB-CB 3.48Å; A286-W290 HydrophobicContact CB-CG 3.76Å
287	S	49.6	Very low	56.8	Low	50 Å²	50	62.6 Å²	62.6	35%	0.35	33%	0.33	S	S	.	.			trans	-41.2	160	170.3	71.9	0	0	0	0	112.1	Q289 W290	S287-Q289 PolarHBondContact O-N 3.17Å; S287-W290 PolarHBondContact O-N 2.74Å
288	N	57.2	Low	60	Low	136 Å²	136	58.7 Å²	58.7	73%	0.727	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.4	-11	177.1	-80.1	-14	0	0	0	115.8
289	Q	66.2	Low	63.4	Low	96 Å²	96	53 Å²	53	45%	0.449	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-31.6	174.8	-61.7	176.4	-14.6	0	0	114.1	S287	S287-Q289 PolarHBondContact O-N 3.17Å
290	W	71.9	Confident	66.5	Low	39 Å²	39	52.4 Å²	52.4	15%	0.148	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-17.3	-172.1	-52.3	92.5	0	0	0	114.5	T279 P281 A286 S287 R355	T279-W290 HydrophobicContact CG2-CH2 3.94Å; P281-W290 HydrophobicContact CG-CD2 4.37Å; P281-W290 HydrophobicContact CG-CG 4.4Å; A286-W290 HydrophobicContact CB-CB 3.48Å; A286-W290 VanDerWaalsContact CB-CB 3.48Å; A286-W290 HydrophobicContact CB-CG 3.76Å; S287-W290 PolarHBondContact O-N 2.74Å; W290-R355 VanDerWaalsContact CA-O 3.3Å; W290-R355 WeakPolarHBondContact CA-O 3.47Å; W290-R355 WeakPolarHBondContact O-CB 3.3Å; W290-R355 PolarHBondContact O-N 3.07Å
291	M	78.8	Confident	69.4	Low	85 Å²	85	52 Å²	52	42%	0.419	28%	0.281	S	S	.	.	S	Bend	trans	-87.3	145.4	170.5	-66.7	-166.9	-72.3	0	0	110.4	P293 R355	M291-P293 WeakPolarHBondContact O-CD 3.43Å; M291-R355 WeakPolarHBondContact O-CD 3.24Å
292	W	87.2	Confident	72.4	Confident	16 Å²	16	55.6 Å²	55.6	6%	0.061	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-76.8	123	174.6	-70	93.9	0	0	0	109.9	N294 R295 V297 E337 L339 R355 T383	W292-N294 PolarHBondContact O-N 3.17Å; W292-R295 PolarHBondContact O-N 3.24Å; W292-V297 HydrophobicContact CB-CG2 4.23Å; W292-V297 HydrophobicContact CD2-CB 4.28Å; W292-V297 HydrophobicContact CD2-CG1 4.11Å; W292-V297 HydrophobicContact CD2-CG2 3.85Å; W292-V297 HydrophobicContact CE3-CB 4.32Å; W292-V297 HydrophobicContact CE3-CG1 4.11Å; W292-V297 HydrophobicContact CE3-CG2 4.35Å; W292-V297 HydrophobicContact CG-CG2 3.76Å; W292-V297 HydrophobicContact CH2-CG1 3.98Å; W292-V297 HydrophobicContact CZ2-CG1 3.98Å; W292-V297 HydrophobicContact CZ3-CG1 4.03Å; W292-E337 VanDerWaalsContact CZ3-O 3.29Å; W292-E337 WeakPolarHBondContact CZ3-O 3.42Å; W292-L339 HydrophobicContact CH2-CB 4.11Å; W292-L339 HydrophobicContact CZ2-CB 4.48Å; W292-R355 HydrophobicContact CD2-CB 3.93Å; W292-R355 HydrophobicContact CD2-CG 4.22Å; W292-R355 HydrophobicContact CE3-CB 4.44Å; W292-R355 HydrophobicContact CE3-CG 4.23Å; W292-R355 HydrophobicContact CG-CB 4.23Å; W292-R355 HydrophobicContact CH2-CG 4.38Å; W292-R355 HydrophobicContact CZ2-CB 4.13Å; W292-R355 HydrophobicContact CZ2-CG 4.35Å; W292-R355 HydrophobicContact CZ3-CG 4.32Å; W292-T383 HydrophobicContact CZ2-CG2 3.69Å; W292-T383 PolarHBondContact NE1-O 2Å
293	P	87.1	Confident	75.3	Confident	66 Å²	66	57 Å²	57	43%	0.429	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-56.9	138.9	-179.7	-25.1	34.1	0	0	0	111.6	M291 R295 T296 R355	M291-P293 WeakPolarHBondContact O-CD 3.43Å; P293-R295 PolarHBondContact O-N 2.83Å; P293-T296 PolarHBondContact O-N 3.11Å; P293-R355 VanDerWaalsContact CG-NH1 3.33Å
294	N	86.4	Confident	77.9	Confident	147 Å²	147	65.2 Å²	65.2	79%	0.786	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	50.7	30	178.6	-61.4	-25.5	0	0	0	113.7	W292 T296	W292-N294 PolarHBondContact O-N 3.17Å; N294-T296 PolarHBondContact O-N 3.26Å; N294-T296 PolarHBondContact O-OG1 3.08Å
295	R	87.5	Confident	80.6	Confident	120 Å²	120	65.9 Å²	65.9	45%	0.453	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	59.6	23.4	177.5	-33.9	-175.1	-102.5	-142	-14.1	112.5	W292 P293 V325 R326 H477	W292-R295 PolarHBondContact O-N 3.24Å; P293-R295 PolarHBondContact O-N 2.83Å; R295-V325 CarbonylContact O-C 3.48Å; R295-V325 VanDerWaalsContact O-CA 3.29Å; R295-V325 WeakPolarHBondContact O-CA 3.45Å; R295-R326 PolarHBondContact O-N 3.31Å; R295-H477 WeakPolarHBondContact CA-OXT 3.4Å; R295-H477 WeakPolarHBondContact CB-O 3.4Å; R295-H477 WeakPolarHBondContact CB-OXT 3.42Å; R295-H477 WeakPolarHBondContact CD-O 3.2Å; R295-H477 WeakPolarHBondContact CD-OXT 3.46Å; R295-H477 VanDerWaalsContact CG-C 3.41Å; R295-H477 WeakPolarHBondContact CG-O 3.13Å; R295-H477 WeakPolarHBondContact CG-OXT 3.41Å
296	T	92.8	Very high	83.2	Confident	38 Å²	38	70.6 Å²	70.6	23%	0.233	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.2	-170.7	-62.8	0	0	0	0	108.8	P293 N294 P298 R326 V328	P293-T296 PolarHBondContact O-N 3.11Å; N294-T296 PolarHBondContact O-N 3.26Å; N294-T296 PolarHBondContact O-OG1 3.08Å; T296-P298 VanDerWaalsContact O-CD 3.27Å; T296-P298 WeakPolarHBondContact O-CD 2.9Å; T296-R326 CarbonylContact C-O 3.38Å; T296-R326 VanDerWaalsContact CA-O 3.3Å; T296-R326 WeakPolarHBondContact CA-O 3.33Å; T296-V328 HydrophobicContact CG2-CB 4.28Å; T296-V328 HydrophobicContact CG2-CG1 3.85Å; T296-V328 HydrophobicContact CG2-CG2 3.43Å; T296-V328 VanDerWaalsContact CG2-CG2 3.43Å
297	V	94.8	Very high	85.9	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	97.9	177.4	-174.3	0	0	0	0	108.4	W292 Y299 V325 R326 F327 V328 L339 T383 L384	W292-V297 HydrophobicContact CB-CG2 4.23Å; W292-V297 HydrophobicContact CD2-CB 4.28Å; W292-V297 HydrophobicContact CD2-CG1 4.11Å; W292-V297 HydrophobicContact CD2-CG2 3.85Å; W292-V297 HydrophobicContact CE3-CB 4.32Å; W292-V297 HydrophobicContact CE3-CG1 4.11Å; W292-V297 HydrophobicContact CE3-CG2 4.35Å; W292-V297 HydrophobicContact CG-CG2 3.76Å; W292-V297 HydrophobicContact CH2-CG1 3.98Å; W292-V297 HydrophobicContact CZ2-CG1 3.98Å; W292-V297 HydrophobicContact CZ3-CG1 4.03Å; V297-Y299 PolarHBondContact O-N 2.97Å; V297-V325 HydrophobicContact CG2-CG1 4.34Å; V297-R326 PolarHBondContact N-O 3.12Å; V297-F327 HydrophobicContact CB-CD1 3.74Å; V297-F327 HydrophobicContact CB-CE1 3.89Å; V297-F327 HydrophobicContact CG1-CD1 4.09Å; V297-F327 HydrophobicContact CG1-CE1 4.12Å; V297-F327 HydrophobicContact CG2-CD1 4.37Å; V297-F327 HydrophobicContact CG2-CE1 4.07Å; V297-F327 WeakPolarHBondContact O-CA 3.42Å; V297-V328 PolarHBondContact O-N 2.93Å; V297-V328 VanDerWaalsContact O-N 3.12Å; V297-L339 HydrophobicContact CG1-CB 3.98Å; V297-L339 HydrophobicContact CG1-CD2 4.2Å; V297-T383 HydrophobicContact CG1-CG2 4.04Å; V297-L384 HydrophobicContact CG2-CD2 3.73Å
298	P	96	Very high	88.1	Confident	30 Å²	30	73.2 Å²	73.2	20%	0.195	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	125.5	166.5	-18.6	31.1	0	0	0	109.3	T296 V328 C330 C338 L339	T296-P298 VanDerWaalsContact O-CD 3.27Å; T296-P298 WeakPolarHBondContact O-CD 2.9Å; P298-V328 CarbonylContact C-O 3.58Å; P298-V328 VanDerWaalsContact CA-O 3.28Å; P298-V328 WeakPolarHBondContact CA-O 3.47Å; P298-V328 HydrophobicContact CB-CG2 4.23Å; P298-V328 HydrophobicContact CG-CG2 4.23Å; P298-C330 HydrophobicContact CB-CB 4.2Å; P298-C338 HydrophobicContact CB-CB 4.42Å; P298-C338 CarbonylContact O-C 3.54Å; P298-C338 VanDerWaalsContact O-CA 3.3Å; P298-C338 WeakPolarHBondContact O-CA 3.44Å; P298-L339 PolarHBondContact O-N 3.43Å
299	Y	96.7	Very high	90	Very high	29 Å²	29	67.3 Å²	67.3	11%	0.114	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.8	-178.8	77.1	-80.1	0	0	0	112.6	V297 P301 H313 M316 F327 V328 C330 L339 I341	V297-Y299 PolarHBondContact O-N 2.97Å; Y299-P301 HydrophobicContact CD2-CG 4.04Å; Y299-P301 HydrophobicContact CE2-CG 3.88Å; Y299-H313 AromaticContact CE2-NE2 3.85Å; Y299-H313 AromaticContact CZ-NE2 3.75Å; Y299-H313 PolarHBondContact OH-CD2 2.95Å; Y299-H313 PolarHBondContact OH-NE2 2.48Å; Y299-M316 HydrophobicContact CD1-CE 4.11Å; Y299-M316 HydrophobicContact CD1-SD 4.33Å; Y299-M316 HydrophobicContact CD2-CE 3.63Å; Y299-M316 HydrophobicContact CD2-SD 4.32Å; Y299-M316 HydrophobicContact CE1-CE 4.31Å; Y299-M316 HydrophobicContact CE1-SD 3.98Å; Y299-M316 HydrophobicContact CE2-CE 3.84Å; Y299-M316 HydrophobicContact CE2-SD 3.95Å; Y299-M316 HydrophobicContact CG-CE 3.77Å; Y299-M316 HydrophobicContact CG-SD 4.5Å; Y299-F327 HydrophobicContact CD1-CB 3.88Å; Y299-F327 HydrophobicContact CE1-CB 3.86Å; Y299-V328 WeakPolarHBondContact CD1-O 3.48Å; Y299-V328 PolarHBondContact N-O 3.02Å; Y299-C330 VanDerWaalsContact O-CB 3.23Å; Y299-C330 WeakPolarHBondContact O-CB 3.46Å; Y299-C330 PolarHBondContact O-N 3.09Å; Y299-L339 CarbonylContact C-O 3.51Å; Y299-L339 WeakPolarHBondContact CA-O 3.37Å; Y299-I341 HydrophobicContact CD2-CD1 3.98Å
300	M	94.1	Very high	91.4	Very high	28 Å²	28	64.1 Å²	64.1	14%	0.138	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	107.8	177.6	-169.3	173.5	-71.7	0	0	110.5	M302 C330 K332 I335 L339 L340 I341	M300-M302 HydrophobicContact CG-SD 3.96Å; M300-M302 PolarHBondContact O-N 2.72Å; M300-M302 HydrophobicContact SD-SD 3.96Å; M300-C330 HydrophobicContact CB-CB 4.04Å; M300-C330 HydrophobicContact CE-CB 3.94Å; M300-K332 HydrophobicContact CE-CG 3.66Å; M300-I335 HydrophobicContact SD-CD1 4.28Å; M300-L339 PolarHBondContact N-O 3.18Å; M300-L340 HydrophobicContact CB-CD2 4.05Å; M300-I341 PolarHBondContact O-N 3.25Å
301	P	93.9	Very high	92.6	Very high	48 Å²	48	64 Å²	64	31%	0.312	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	125.9	167.3	-19.2	33.2	0	0	0	110.4	Y299 F303	Y299-P301 HydrophobicContact CD2-CG 4.04Å; Y299-P301 HydrophobicContact CE2-CG 3.88Å; P301-F303 VanDerWaalsContact C-N 3.32Å; P301-F303 HydrophobicContact CB-CD1 4.35Å; P301-F303 HydrophobicContact CB-CE1 4Å; P301-F303 HydrophobicContact CB-CZ 4.08Å
302	M	92.6	Very high	93.5	Very high	91 Å²	91	60 Å²	60	45%	0.448	30%	0.304	S	S	.	.			trans	-98.9	23.2	178.4	-60.1	-61.3	-62.3	0	0	111.7	M300 I341 Y342	M300-M302 HydrophobicContact CG-SD 3.96Å; M300-M302 PolarHBondContact O-N 2.72Å; M300-M302 HydrophobicContact SD-SD 3.96Å; M302-I341 WeakPolarHBondContact CB-O 3.4Å; M302-I341 PolarHBondContact N-O 3.26Å; M302-Y342 HydrophobicContact CB-CD1 3.67Å; M302-Y342 HydrophobicContact CB-CE1 3.83Å; M302-Y342 HydrophobicContact CB-CG 4.36Å; M302-Y342 HydrophobicContact CE-CE1 4.38Å; M302-Y342 HydrophobicContact CG-CD1 3.96Å; M302-Y342 HydrophobicContact CG-CE1 3.68Å
303	F	92.7	Very high	94	Very high	30 Å²	30	62.9 Å²	62.9	13%	0.132	32%	0.318	C	S	.	.	S	Bend	trans	-136.7	161	179.9	60.6	-96.3	0	0	0	110.6	P301 N305 F308 A309 L312 I341 A343 L367	P301-F303 VanDerWaalsContact C-N 3.32Å; P301-F303 HydrophobicContact CB-CD1 4.35Å; P301-F303 HydrophobicContact CB-CE1 4Å; P301-F303 HydrophobicContact CB-CZ 4.08Å; F303-N305 HydrophobicContact CD2-CB 4.03Å; F303-N305 HydrophobicContact CE2-CB 4.48Å; F303-F308 HydrophobicContact CE2-CB 4.34Å; F303-F308 AromaticContact CE2-CD1 3.95Å; F303-F308 HydrophobicContact CE2-CD1 3.95Å; F303-F308 AromaticContact CZ-CD1 3.72Å; F303-F308 HydrophobicContact CZ-CD1 3.72Å; F303-F308 HydrophobicContact CZ-CE1 4.28Å; F303-A309 HydrophobicContact CE2-CB 4.43Å; F303-L312 HydrophobicContact CZ-CD2 4.4Å; F303-I341 WeakPolarHBondContact CD1-O 3.3Å; F303-I341 HydrophobicContact CE1-CB 4.37Å; F303-I341 HydrophobicContact CE1-CG2 3.84Å; F303-A343 HydrophobicContact CB-CB 3.87Å; F303-A343 HydrophobicContact CD1-CB 4.33Å; F303-A343 HydrophobicContact CG-CB 4.29Å; F303-L367 HydrophobicContact CB-CD1 4.46Å; F303-L367 HydrophobicContact CD1-CD2 4.47Å; F303-L367 HydrophobicContact CD2-CD1 4.11Å; F303-L367 HydrophobicContact CE1-CD2 4.4Å; F303-L367 HydrophobicContact CG-CD1 4.26Å; F303-L367 HydrophobicContact CZ-CD2 4.43Å
304	K	92.4	Very high	94.5	Very high	202 Å²	202	67.4 Å²	67.4	88%	0.878	33%	0.331	S	S	*	.			trans	-106.5	6.9	-175.3	-63	-174.3	179	-179.1	0	115	E306	K304-E306 PolarHBondContact O-N 3.38Å; K304-E306 VanDerWaalsContact O-N 3.09Å
305	N	95.3	Very high	95	Very high	59 Å²	59	60.5 Å²	60.5	32%	0.316	29%	0.294	S	S	.	.			trans	-74.7	98.3	-179.6	-171.6	-45.7	0	0	0	111	F303 E307 F308 A309 L367	F303-N305 HydrophobicContact CD2-CB 4.03Å; F303-N305 HydrophobicContact CE2-CB 4.48Å; N305-E307 PolarHBondContact O-N 3.18Å; N305-E307 WeakPolarHBondContact OD1-CB 3.28Å; N305-E307 PolarHBondContact OD1-N 2.83Å; N305-F308 HydrophobicContact CB-CB 4.16Å; N305-F308 PolarHBondContact O-N 3.42Å; N305-F308 WeakPolarHBondContact OD1-CB 3.24Å; N305-F308 PolarHBondContact OD1-N 3.23Å; N305-A309 WeakPolarHBondContact O-CB 3.49Å; N305-A309 PolarHBondContact O-N 3Å; N305-L367 HydrophobicContact CB-CD1 3.8Å
306	E	95.4	Very high	95.5	Very high	157 Å²	157	55 Å²	55	73%	0.734	27%	0.273	S	S	*	.	H	α-helix	trans	-63.9	-36.4	-179	-66.7	-61.4	156.6	0	0	113.5	K304 A309 G310	K304-E306 PolarHBondContact O-N 3.38Å; K304-E306 VanDerWaalsContact O-N 3.09Å; E306-A309 PolarHBondContact O-N 3.16Å; E306-G310 PolarHBondContact O-N 3.07Å
307	E	95.4	Very high	95.7	Very high	121 Å²	121	58.5 Å²	58.5	57%	0.565	29%	0.286	S	S	*	.	H	α-helix	trans	-60.2	-50.2	176.9	-174.8	-156.3	141.3	0	0	110	N305 G310 I311 K371	N305-E307 PolarHBondContact O-N 3.18Å; N305-E307 WeakPolarHBondContact OD1-CB 3.28Å; N305-E307 PolarHBondContact OD1-N 2.83Å; E307-G310 PolarHBondContact O-N 3.04Å; E307-I311 WeakPolarHBondContact O-CG1 3.12Å; E307-I311 PolarHBondContact O-N 2.63Å; E307-K371 IonicContact OE1-NZ 3.74Å; E307-K371 PolarHBondContact OE1-NZ 3.19Å; E307-K371 IonicContact OE2-NZ 3.98Å
308	F	96.3	Very high	95.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.5	-39.3	178.2	-165.6	-82	0	0	0	111.8	F303 N305 G310 I311 L312 L365 L367 C370 K371 L376	F303-F308 HydrophobicContact CE2-CB 4.34Å; F303-F308 AromaticContact CE2-CD1 3.95Å; F303-F308 HydrophobicContact CE2-CD1 3.95Å; F303-F308 AromaticContact CZ-CD1 3.72Å; F303-F308 HydrophobicContact CZ-CD1 3.72Å; F303-F308 HydrophobicContact CZ-CE1 4.28Å; N305-F308 HydrophobicContact CB-CB 4.16Å; N305-F308 PolarHBondContact O-N 3.42Å; N305-F308 WeakPolarHBondContact OD1-CB 3.24Å; N305-F308 PolarHBondContact OD1-N 3.23Å; F308-G310 PolarHBondContact O-N 3.17Å; F308-I311 PolarHBondContact O-N 2.95Å; F308-L312 PolarHBondContact O-N 3.39Å; F308-L365 HydrophobicContact CE1-CD1 3.66Å; F308-L365 HydrophobicContact CZ-CB 4.4Å; F308-L365 HydrophobicContact CZ-CD1 3.92Å; F308-L367 HydrophobicContact CB-CD2 4.49Å; F308-L367 HydrophobicContact CD1-CD2 3.64Å; F308-L367 HydrophobicContact CD2-CB 3.89Å; F308-L367 HydrophobicContact CD2-CD2 3.93Å; F308-L367 HydrophobicContact CD2-CG 4.47Å; F308-L367 VanDerWaalsContact CD2-O 3.32Å; F308-L367 WeakPolarHBondContact CD2-O 3.21Å; F308-L367 HydrophobicContact CE1-CD2 3.72Å; F308-L367 HydrophobicContact CE2-CB 4.25Å; F308-L367 HydrophobicContact CE2-CD2 4.01Å; F308-L367 HydrophobicContact CG-CB 4.3Å; F308-L367 HydrophobicContact CG-CD2 3.75Å; F308-L367 HydrophobicContact CG-CG 4.46Å; F308-L367 HydrophobicContact CZ-CD2 3.89Å; F308-C370 HydrophobicContact CE2-CB 4.39Å; F308-C370 HydrophobicContact CZ-CB 4.12Å; F308-K371 HydrophobicContact CD2-CG 3.84Å; F308-K371 HydrophobicContact CE2-CG 3.85Å; F308-L376 HydrophobicContact CE1-CD2 4.33Å; F308-L376 HydrophobicContact CZ-CD1 4.39Å; F308-L376 HydrophobicContact CZ-CD2 4.02Å
309	A	96.1	Very high	95.7	Very high	11 Å²	11	58.4 Å²	58.4	9%	0.091	29%	0.288	C	S	.	.	H	α-helix	trans	-57	-39.6	173.8	0	0	0	0	0	111.2	F303 N305 E306 I311 L312 H313	F303-A309 HydrophobicContact CE2-CB 4.43Å; N305-A309 WeakPolarHBondContact O-CB 3.49Å; N305-A309 PolarHBondContact O-N 3Å; E306-A309 PolarHBondContact O-N 3.16Å; A309-I311 PolarHBondContact O-N 2.96Å; A309-L312 PolarHBondContact O-N 2.84Å; A309-H313 WeakPolarHBondContact O-CB 3.27Å; A309-H313 PolarHBondContact O-N 3.2Å; A309-H313 PolarHBondContact O-ND1 2.93Å
310	G	96.7	Very high	95.7	Very high	30 Å²	30	58 Å²	58	31%	0.309	29%	0.287	S	S	.	.	H	α-helix	trans	-61.7	-38.4	172.7	0	0	0	0	0	113.9	E306 E307 F308 K314	E306-G310 PolarHBondContact O-N 3.07Å; E307-G310 PolarHBondContact O-N 3.04Å; F308-G310 PolarHBondContact O-N 3.17Å; G310-K314 WeakPolarHBondContact O-CG 2.97Å; G310-K314 PolarHBondContact O-N 3.26Å; G310-K314 VanDerWaalsContact O-N 3.11Å
311	I	96.6	Very high	95.7	Very high	37 Å²	37	66.3 Å²	66.3	19%	0.19	32%	0.317	C	S	.	.	H	α-helix	trans	-69.2	-45.3	176.1	-58.6	170.9	0	0	0	110.5	E307 F308 A309 H313 K314 A315 K371 L376	E307-I311 WeakPolarHBondContact O-CG1 3.12Å; E307-I311 PolarHBondContact O-N 2.63Å; F308-I311 PolarHBondContact O-N 2.95Å; A309-I311 PolarHBondContact O-N 2.96Å; I311-H313 PolarHBondContact O-N 3.41Å; I311-K314 WeakPolarHBondContact O-CB 3.3Å; I311-K314 PolarHBondContact O-N 3Å; I311-A315 PolarHBondContact O-N 3.04Å; I311-K371 HydrophobicContact CD1-CB 4.2Å; I311-K371 HydrophobicContact CD1-CD 4.3Å; I311-K371 HydrophobicContact CD1-CG 4.16Å; I311-K371 WeakPolarHBondContact CG2-O 3.42Å; I311-L376 HydrophobicContact CG2-CD1 3.68Å
312	L	97.4	Very high	95.6	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-57.9	-46.8	175.5	179.1	65	0	0	0	111.6	F303 F308 A309 K314 A315 M316 I341 L376	F303-L312 HydrophobicContact CZ-CD2 4.4Å; F308-L312 PolarHBondContact O-N 3.39Å; A309-L312 PolarHBondContact O-N 2.84Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 2.92Å; L312-A315 WeakPolarHBondContact O-CB 3.01Å; L312-A315 PolarHBondContact O-N 2.66Å; L312-A315 VanDerWaalsContact O-N 3.15Å; L312-M316 HydrophobicContact CD1-CE 3.93Å; L312-M316 HydrophobicContact CD2-CE 4.04Å; L312-M316 HydrophobicContact CG-CE 3.84Å; L312-M316 HydrophobicContact CG-SD 4.18Å; L312-M316 WeakPolarHBondContact O-CG 3.29Å; L312-M316 PolarHBondContact O-N 3.21Å; L312-I341 HydrophobicContact CD2-CD1 3.65Å; L312-L376 HydrophobicContact CD1-CD2 4.27Å
313	H	97.5	Very high	95.6	Very high	77 Å²	77	64.8 Å²	64.8	36%	0.356	31%	0.305	S	S	.	.	H	α-helix	trans	-62.4	-36.8	176.7	-69	159.6	0	0	0	112.5	Y299 A309 I311 M316 K317	Y299-H313 AromaticContact CE2-NE2 3.85Å; Y299-H313 AromaticContact CZ-NE2 3.75Å; Y299-H313 PolarHBondContact OH-CD2 2.95Å; Y299-H313 PolarHBondContact OH-NE2 2.48Å; A309-H313 WeakPolarHBondContact O-CB 3.27Å; A309-H313 PolarHBondContact O-N 3.2Å; A309-H313 PolarHBondContact O-ND1 2.93Å; I311-H313 PolarHBondContact O-N 3.41Å; H313-M316 PolarHBondContact O-N 3.45Å; H313-K317 WeakPolarHBondContact O-CB 2.85Å; H313-K317 VanDerWaalsContact O-CG 3.22Å; H313-K317 WeakPolarHBondContact O-CG 3.3Å; H313-K317 PolarHBondContact O-N 3.4Å
314	K	97.3	Very high	95.4	Very high	160 Å²	160	65.9 Å²	65.9	70%	0.696	32%	0.315	S	S	*	.	H	α-helix	trans	-63.6	-41.5	173.7	-75.9	172.6	-177.5	177	0	111.8	G310 I311 L312 K317 A318	G310-K314 WeakPolarHBondContact O-CG 2.97Å; G310-K314 PolarHBondContact O-N 3.26Å; G310-K314 VanDerWaalsContact O-N 3.11Å; I311-K314 WeakPolarHBondContact O-CB 3.3Å; I311-K314 PolarHBondContact O-N 3Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 2.92Å; K314-K317 PolarHBondContact O-N 2.95Å; K314-A318 PolarHBondContact O-N 3.33Å
315	A	97	Very high	95.4	Very high	2 Å²	2	56.2 Å²	56.2	2%	0.017	27%	0.274	C	S	.	.	H	α-helix	trans	-64.5	-45.5	176.2	0	0	0	0	0	111.9	I311 L312 A318 I319 L376 Q377 L380	I311-A315 PolarHBondContact O-N 3.04Å; L312-A315 WeakPolarHBondContact O-CB 3.01Å; L312-A315 PolarHBondContact O-N 2.66Å; L312-A315 VanDerWaalsContact O-N 3.15Å; A315-A318 WeakPolarHBondContact O-CB 3.2Å; A315-A318 PolarHBondContact O-N 3.39Å; A315-I319 PolarHBondContact O-N 3.16Å; A315-L376 HydrophobicContact CB-CB 3.65Å; A315-L376 HydrophobicContact CB-CD1 4.34Å; A315-Q377 HydrophobicContact CB-CG 4.28Å; A315-L380 HydrophobicContact CB-CD1 4.21Å
316	M	97.4	Very high	95.4	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.02	28%	0.279	C	S	.	.	H	α-helix	trans	-57.7	-49.7	173.6	-71.8	170.2	170.3	0	0	111.3	Y299 L312 H313 A318 I319 E320 F327 I341 L380	Y299-M316 HydrophobicContact CD1-CE 4.11Å; Y299-M316 HydrophobicContact CD1-SD 4.33Å; Y299-M316 HydrophobicContact CD2-CE 3.63Å; Y299-M316 HydrophobicContact CD2-SD 4.32Å; Y299-M316 HydrophobicContact CE1-CE 4.31Å; Y299-M316 HydrophobicContact CE1-SD 3.98Å; Y299-M316 HydrophobicContact CE2-CE 3.84Å; Y299-M316 HydrophobicContact CE2-SD 3.95Å; Y299-M316 HydrophobicContact CG-CE 3.77Å; Y299-M316 HydrophobicContact CG-SD 4.5Å; L312-M316 HydrophobicContact CD1-CE 3.93Å; L312-M316 HydrophobicContact CD2-CE 4.04Å; L312-M316 HydrophobicContact CG-CE 3.84Å; L312-M316 HydrophobicContact CG-SD 4.18Å; L312-M316 WeakPolarHBondContact O-CG 3.29Å; L312-M316 PolarHBondContact O-N 3.21Å; H313-M316 PolarHBondContact O-N 3.45Å; M316-A318 VanDerWaalsContact C-N 3.26Å; M316-A318 PolarHBondContact O-N 3.47Å; M316-I319 WeakPolarHBondContact O-CB 3.28Å; M316-I319 PolarHBondContact O-N 3.23Å; M316-E320 WeakPolarHBondContact O-CG 3.01Å; M316-E320 PolarHBondContact O-N 2.88Å; M316-F327 HydrophobicContact CB-CB 4.33Å; M316-F327 HydrophobicContact CB-CD2 3.62Å; M316-F327 HydrophobicContact CB-CE2 4.1Å; M316-F327 HydrophobicContact CB-CG 4Å; M316-F327 HydrophobicContact CE-CD1 4.03Å; M316-F327 HydrophobicContact CE-CG 4.39Å; M316-F327 HydrophobicContact CG-CB 4.24Å; M316-F327 HydrophobicContact CG-CD1 4.09Å; M316-F327 HydrophobicContact CG-CD2 3.77Å; M316-F327 HydrophobicContact CG-CE1 4.43Å; M316-F327 HydrophobicContact CG-CE2 4.11Å; M316-F327 HydrophobicContact CG-CG 3.75Å; M316-F327 HydrophobicContact CG-CZ 4.43Å; M316-F327 HydrophobicContact SD-CB 4Å; M316-F327 HydrophobicContact SD-CD1 4.31Å; M316-F327 HydrophobicContact SD-CG 4.06Å; M316-I341 HydrophobicContact CE-CD1 4.03Å; M316-L380 HydrophobicContact CE-CD2 4.06Å; M316-L380 HydrophobicContact CG-CD1 3.8Å; M316-L380 HydrophobicContact CG-CD2 4.42Å
317	K	97.3	Very high	95.5	Very high	112 Å²	112	52 Å²	52	49%	0.487	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-32.6	178.5	-73.5	-75.7	162.7	-147.4	0	113	H313 K314 E320 R321	H313-K317 WeakPolarHBondContact O-CB 2.85Å; H313-K317 VanDerWaalsContact O-CG 3.22Å; H313-K317 WeakPolarHBondContact O-CG 3.3Å; H313-K317 PolarHBondContact O-N 3.4Å; K314-K317 PolarHBondContact O-N 2.95Å; K317-E320 VanDerWaalsContact CD-OE2 3.23Å; K317-E320 WeakPolarHBondContact CD-OE2 3.42Å; K317-E320 VanDerWaalsContact CE-OE2 3.27Å; K317-E320 WeakPolarHBondContact CE-OE2 3.07Å; K317-E320 IonicContact NZ-OE2 3.64Å; K317-E320 PolarHBondContact NZ-OE2 3.47Å; K317-R321 WeakPolarHBondContact O-CB 3.44Å; K317-R321 WeakPolarHBondContact O-CD 3.3Å; K317-R321 WeakPolarHBondContact O-CG 3.48Å; K317-R321 PolarHBondContact O-N 3.43Å; K317-R321 VanDerWaalsContact O-N 3.11Å
318	A	95.7	Very high	95.6	Very high	29 Å²	29	48.8 Å²	48.8	24%	0.24	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-41.7	174.3	0	0	0	0	0	111.5	K314 A315 M316	K314-A318 PolarHBondContact O-N 3.33Å; A315-A318 WeakPolarHBondContact O-CB 3.2Å; A315-A318 PolarHBondContact O-N 3.39Å; M316-A318 VanDerWaalsContact C-N 3.26Å; M316-A318 PolarHBondContact O-N 3.47Å
319	I	95.6	Very high	95.6	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66	-45.2	174.9	-63.7	172.5	0	0	0	111.1	A315 M316 R321 E322 T323 V325 F327 Q377 L380 L384 M466	A315-I319 PolarHBondContact O-N 3.16Å; M316-I319 WeakPolarHBondContact O-CB 3.28Å; M316-I319 PolarHBondContact O-N 3.23Å; I319-R321 VanDerWaalsContact C-N 3.25Å; I319-R321 PolarHBondContact O-N 3.44Å; I319-E322 PolarHBondContact O-N 3.06Å; I319-T323 HydrophobicContact CG2-CG2 4.33Å; I319-T323 WeakPolarHBondContact O-CB 3.49Å; I319-T323 WeakPolarHBondContact O-CG2 3.44Å; I319-T323 PolarHBondContact O-N 2.95Å; I319-T323 PolarHBondContact O-OG1 3.29Å; I319-V325 HydrophobicContact CG2-CB 4.29Å; I319-F327 HydrophobicContact CB-CE2 4.17Å; I319-F327 HydrophobicContact CD1-CE2 4.37Å; I319-F327 HydrophobicContact CD1-CZ 4.33Å; I319-F327 HydrophobicContact CG2-CE2 4.12Å; I319-Q377 HydrophobicContact CD1-CG 4.38Å; I319-Q377 HydrophobicContact CG1-CG 4.22Å; I319-L380 HydrophobicContact CD1-CB 3.55Å; I319-L380 HydrophobicContact CD1-CD1 3.82Å; I319-L380 HydrophobicContact CD1-CG 4.34Å; I319-L384 HydrophobicContact CG2-CD1 4.42Å; I319-M466 HydrophobicContact CB-CE 4.22Å; I319-M466 HydrophobicContact CG1-CE 3.78Å; I319-M466 HydrophobicContact CG1-SD 4.05Å
320	E	96.1	Very high	95.5	Very high	21 Å²	21	54.3 Å²	54.3	10%	0.098	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-28.9	-179	-66.8	178.7	154.8	0	0	113.6	M316 K317 T323 V325 R326 F327	M316-E320 WeakPolarHBondContact O-CG 3.01Å; M316-E320 PolarHBondContact O-N 2.88Å; K317-E320 VanDerWaalsContact CD-OE2 3.23Å; K317-E320 WeakPolarHBondContact CD-OE2 3.42Å; K317-E320 VanDerWaalsContact CE-OE2 3.27Å; K317-E320 WeakPolarHBondContact CE-OE2 3.07Å; K317-E320 IonicContact NZ-OE2 3.64Å; K317-E320 PolarHBondContact NZ-OE2 3.47Å; E320-T323 VanDerWaalsContact O-O 3.04Å; E320-V325 WeakPolarHBondContact CG-O 3.1Å; E320-R326 PolarHBondContact O-NH1 3.12Å; E320-R326 VanDerWaalsContact O-NH1 3.08Å; E320-F327 HydrophobicContact CG-CD2 3.92Å; E320-F327 HydrophobicContact CG-CE2 4.48Å; E320-F327 PolarHBondContact OE1-N 2.71Å
321	R	95.7	Very high	95.1	Very high	202 Å²	202	57.2 Å²	57.2	76%	0.762	28%	0.279	S	S	*	.	H	α-helix	trans	-72.2	-33.4	178.7	-78.5	169	-176.1	-176.3	1	112.9	K317 I319	K317-R321 WeakPolarHBondContact O-CB 3.44Å; K317-R321 WeakPolarHBondContact O-CD 3.3Å; K317-R321 WeakPolarHBondContact O-CG 3.48Å; K317-R321 PolarHBondContact O-N 3.43Å; K317-R321 VanDerWaalsContact O-N 3.11Å; I319-R321 VanDerWaalsContact C-N 3.25Å; I319-R321 PolarHBondContact O-N 3.44Å
322	E	91.9	Very high	94.6	Very high	98 Å²	98	63.9 Å²	63.9	46%	0.458	31%	0.306	S	S	.	.	H	α-helix	trans	-100.2	-14.9	-172.7	-62.8	-62.9	156.4	0	0	112.9	I319 M466 I471 R475	I319-E322 PolarHBondContact O-N 3.06Å; E322-M466 HydrophobicContact CB-CE 4.45Å; E322-I471 HydrophobicContact CB-CD1 3.98Å; E322-I471 HydrophobicContact CB-CG1 3.97Å; E322-I471 HydrophobicContact CB-CG2 3.86Å; E322-I471 HydrophobicContact CG-CD1 3.95Å; E322-I471 HydrophobicContact CG-CG1 4.44Å; E322-I471 WeakPolarHBondContact O-CG2 3.3Å; E322-R475 PolarHBondContact O-NE 2.67Å
323	T	90.7	Very high	94.1	Very high	9 Å²	9	72.6 Å²	72.6	6%	0.055	34%	0.344	C	S	.	.	S	Bend	trans	-134.5	172.3	-171.6	77.7	0	0	0	0	112.3	I319 E320 V325 R326 I471 A474	I319-T323 HydrophobicContact CG2-CG2 4.33Å; I319-T323 WeakPolarHBondContact O-CB 3.49Å; I319-T323 WeakPolarHBondContact O-CG2 3.44Å; I319-T323 PolarHBondContact O-N 2.95Å; I319-T323 PolarHBondContact O-OG1 3.29Å; E320-T323 VanDerWaalsContact O-O 3.04Å; T323-V325 VanDerWaalsContact C-N 3.3Å; T323-V325 PolarHBondContact OG1-N 3.23Å; T323-R326 PolarHBondContact O-NH1 3.12Å; T323-I471 HydrophobicContact CG2-CG2 4.45Å; T323-A474 HydrophobicContact CG2-CB 3.56Å
324	C	88.9	Confident	93.5	Very high	52 Å²	52	72.7 Å²	72.7	35%	0.351	35%	0.347	S	S	.	.	S	Bend	trans	-83.8	-5.1	175.5	-68.5	0	0	0	0	113.6	R326	C324-R326 PolarHBondContact O-NH1 3.15Å
325	V	93.5	Very high	92.9	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.329	C	S	.	.			trans	-66.7	141.8	-178.8	176.5	0	0	0	0	110.5	R295 V297 I319 E320 T323 F327 L384	R295-V325 CarbonylContact O-C 3.48Å; R295-V325 VanDerWaalsContact O-CA 3.29Å; R295-V325 WeakPolarHBondContact O-CA 3.45Å; V297-V325 HydrophobicContact CG2-CG1 4.34Å; I319-V325 HydrophobicContact CG2-CB 4.29Å; E320-V325 WeakPolarHBondContact CG-O 3.1Å; T323-V325 VanDerWaalsContact C-N 3.3Å; T323-V325 PolarHBondContact OG1-N 3.23Å; V325-F327 HydrophobicContact CG1-CD2 4.49Å; V325-F327 HydrophobicContact CG1-CE2 3.94Å; V325-F327 HydrophobicContact CG1-CZ 4.05Å; V325-L384 HydrophobicContact CG1-CD1 4.23Å; V325-L384 HydrophobicContact CG1-CD2 3.7Å; V325-L384 HydrophobicContact CG2-CD1 3.91Å; V325-L384 HydrophobicContact CG2-CD2 4.03Å
326	R	95.5	Very high	92.2	Very high	112 Å²	112	70.2 Å²	70.2	42%	0.423	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.3	175.9	-61	-63.8	176.7	-101	4.9	110.8	R295 T296 V297 E320 T323 C324	R295-R326 PolarHBondContact O-N 3.31Å; T296-R326 CarbonylContact C-O 3.38Å; T296-R326 VanDerWaalsContact CA-O 3.3Å; T296-R326 WeakPolarHBondContact CA-O 3.33Å; V297-R326 PolarHBondContact N-O 3.12Å; E320-R326 PolarHBondContact O-NH1 3.12Å; E320-R326 VanDerWaalsContact O-NH1 3.08Å; T323-R326 PolarHBondContact O-NH1 3.12Å; C324-R326 PolarHBondContact O-NH1 3.15Å
327	F	97.3	Very high	91.7	Very high	15 Å²	15	73.4 Å²	73.4	7%	0.066	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.3	172.1	-63.5	-85.4	0	0	0	108.8	V297 Y299 M316 I319 E320 V325 L380	V297-F327 HydrophobicContact CB-CD1 3.74Å; V297-F327 HydrophobicContact CB-CE1 3.89Å; V297-F327 HydrophobicContact CG1-CD1 4.09Å; V297-F327 HydrophobicContact CG1-CE1 4.12Å; V297-F327 HydrophobicContact CG2-CD1 4.37Å; V297-F327 HydrophobicContact CG2-CE1 4.07Å; V297-F327 WeakPolarHBondContact O-CA 3.42Å; Y299-F327 HydrophobicContact CD1-CB 3.88Å; Y299-F327 HydrophobicContact CE1-CB 3.86Å; M316-F327 HydrophobicContact CB-CB 4.33Å; M316-F327 HydrophobicContact CB-CD2 3.62Å; M316-F327 HydrophobicContact CB-CE2 4.1Å; M316-F327 HydrophobicContact CB-CG 4Å; M316-F327 HydrophobicContact CE-CD1 4.03Å; M316-F327 HydrophobicContact CE-CG 4.39Å; M316-F327 HydrophobicContact CG-CB 4.24Å; M316-F327 HydrophobicContact CG-CD1 4.09Å; M316-F327 HydrophobicContact CG-CD2 3.77Å; M316-F327 HydrophobicContact CG-CE1 4.43Å; M316-F327 HydrophobicContact CG-CE2 4.11Å; M316-F327 HydrophobicContact CG-CG 3.75Å; M316-F327 HydrophobicContact CG-CZ 4.43Å; M316-F327 HydrophobicContact SD-CB 4Å; M316-F327 HydrophobicContact SD-CD1 4.31Å; M316-F327 HydrophobicContact SD-CG 4.06Å; I319-F327 HydrophobicContact CB-CE2 4.17Å; I319-F327 HydrophobicContact CD1-CE2 4.37Å; I319-F327 HydrophobicContact CD1-CZ 4.33Å; I319-F327 HydrophobicContact CG2-CE2 4.12Å; E320-F327 HydrophobicContact CG-CD2 3.92Å; E320-F327 HydrophobicContact CG-CE2 4.48Å; E320-F327 PolarHBondContact OE1-N 2.71Å; V325-F327 HydrophobicContact CG1-CD2 4.49Å; V325-F327 HydrophobicContact CG1-CE2 3.94Å; V325-F327 HydrophobicContact CG1-CZ 4.05Å; F327-L380 HydrophobicContact CE1-CD2 3.76Å; F327-L380 HydrophobicContact CZ-CB 4.34Å; F327-L380 HydrophobicContact CZ-CD1 4.43Å; F327-L380 HydrophobicContact CZ-CD2 4.03Å; F327-L380 HydrophobicContact CZ-CG 4.5Å
328	V	96.7	Very high	91.4	Very high	53 Å²	53	68.1 Å²	68.1	32%	0.321	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	148.5	-177.5	-60.4	0	0	0	0	110.9	T296 V297 P298 Y299 C330	T296-V328 HydrophobicContact CG2-CB 4.28Å; T296-V328 HydrophobicContact CG2-CG1 3.85Å; T296-V328 HydrophobicContact CG2-CG2 3.43Å; T296-V328 VanDerWaalsContact CG2-CG2 3.43Å; V297-V328 PolarHBondContact O-N 2.93Å; V297-V328 VanDerWaalsContact O-N 3.12Å; P298-V328 CarbonylContact C-O 3.58Å; P298-V328 VanDerWaalsContact CA-O 3.28Å; P298-V328 WeakPolarHBondContact CA-O 3.47Å; P298-V328 HydrophobicContact CB-CG2 4.23Å; P298-V328 HydrophobicContact CG-CG2 4.23Å; Y299-V328 WeakPolarHBondContact CD1-O 3.48Å; Y299-V328 PolarHBondContact N-O 3.02Å; V328-C330 PolarHBondContact O-N 3.25Å
329	P	96.1	Very high	91.4	Very high	111 Å²	111	66.8 Å²	66.8	72%	0.721	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.3	129.5	171.6	-24.3	34.5	0	0	0	111
330	C	93.7	Very high	91.4	Very high	16 Å²	16	66.8 Å²	66.8	11%	0.108	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-68.9	136.9	178.1	167.6	0	0	0	0	112.6	P298 Y299 M300 V328 C338	P298-C330 HydrophobicContact CB-CB 4.2Å; Y299-C330 VanDerWaalsContact O-CB 3.23Å; Y299-C330 WeakPolarHBondContact O-CB 3.46Å; Y299-C330 PolarHBondContact O-N 3.09Å; M300-C330 HydrophobicContact CB-CB 4.04Å; M300-C330 HydrophobicContact CE-CB 3.94Å; V328-C330 PolarHBondContact O-N 3.25Å; C330-C338 HydrophobicContact CB-CB 3.67Å; C330-C338 WeakPolarHBondContact CB-SG 3.37Å; C330-C338 WeakPolarHBondContact SG-CB 3.5Å; C330-C338 CovalentContact SG-SG 2Å; C330-C338 PolarHBondContact SG-SG 3.36Å
331	D	90.3	Very high	91.4	Very high	91 Å²	91	65.8 Å²	65.8	49%	0.487	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-74.3	122.4	166.1	-173.8	-11.7	0	0	0	109.9	K333 N334	D331-K333 PolarHBondContact O-N 3.03Å; D331-K333 VanDerWaalsContact O-N 3.08Å; D331-K333 PolarHBondContact OD1-N 3.16Å; D331-N334 CarbonylContact O-C 3.58Å; D331-N334 PolarHBondContact O-N 3.44Å
332	K	84.5	Confident	91.3	Very high	177 Å²	177	60.2 Å²	60.2	77%	0.77	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-56.9	-24.7	178.3	-68.3	-178.4	179.6	-179.8	0	113.1	M300 N334	M300-K332 HydrophobicContact CE-CG 3.66Å; K332-N334 VanDerWaalsContact C-N 3.31Å
333	K	87.2	Confident	91.4	Very high	183 Å²	183	57.7 Å²	57.7	80%	0.796	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-70.4	-26.5	176.3	-65.1	-180	-178.2	178	0	112.9	D331	D331-K333 PolarHBondContact O-N 3.03Å; D331-K333 VanDerWaalsContact O-N 3.08Å; D331-K333 PolarHBondContact OD1-N 3.16Å
334	N	85.6	Confident	91.4	Very high	79 Å²	79	58.5 Å²	58.5	42%	0.422	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-116.9	40.6	-174.1	-64.8	-13.6	0	0	0	112	D331 K332 S336 E337 C338	D331-N334 CarbonylContact O-C 3.58Å; D331-N334 PolarHBondContact O-N 3.44Å; K332-N334 VanDerWaalsContact C-N 3.31Å; N334-S336 PolarHBondContact O-N 3.27Å; N334-E337 PolarHBondContact O-N 3.46Å; N334-C338 PolarHBondContact O-SG 3.37Å
335	I	84.6	Confident	91.5	Very high	59 Å²	59	63.6 Å²	63.6	30%	0.303	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-60.3	-23.7	-172.1	-155.4	164.8	0	0	0	114.4	M300 E337 C338 L340	M300-I335 HydrophobicContact SD-CD1 4.28Å; I335-E337 PolarHBondContact O-N 3.23Å; I335-C338 PolarHBondContact O-N 3.08Å; I335-L340 HydrophobicContact CD1-CD2 4.23Å; I335-L340 HydrophobicContact CG1-CD1 4.32Å; I335-L340 HydrophobicContact CG1-CD2 3.7Å
336	S	82	Confident	91.4	Very high	51 Å²	51	69.2 Å²	69.2	36%	0.357	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-68.7	-19.8	174.6	48.2	0	0	0	0	113	N334	N334-S336 PolarHBondContact O-N 3.27Å
337	E	86.6	Confident	91.1	Very high	71 Å²	71	70.6 Å²	70.6	33%	0.332	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-95.5	7.5	177.8	-53.8	-157.1	137.8	0	0	113	W292 N334 I335 R355 Y357	W292-E337 VanDerWaalsContact CZ3-O 3.29Å; W292-E337 WeakPolarHBondContact CZ3-O 3.42Å; N334-E337 PolarHBondContact O-N 3.46Å; I335-E337 PolarHBondContact O-N 3.23Å; E337-R355 IonicContact OE1-NH2 2.6Å; E337-R355 PolarHBondContact OE1-NH2 3.09Å; E337-R355 VanDerWaalsContact OE1-NH2 3.16Å; E337-Y357 HydrophobicContact CG-CE2 4.45Å
338	C	91.6	Very high	90.7	Very high	2 Å²	2	71.5 Å²	71.5	1%	0.014	37%	0.368	C	S	.	.	S	Bend	trans	-109.1	154.3	-174.2	-58.1	0	0	0	0	112.7	P298 C330 N334 I335 L340	P298-C338 HydrophobicContact CB-CB 4.42Å; P298-C338 CarbonylContact O-C 3.54Å; P298-C338 VanDerWaalsContact O-CA 3.3Å; P298-C338 WeakPolarHBondContact O-CA 3.44Å; C330-C338 HydrophobicContact CB-CB 3.67Å; C330-C338 WeakPolarHBondContact CB-SG 3.37Å; C330-C338 WeakPolarHBondContact SG-CB 3.5Å; C330-C338 CovalentContact SG-SG 2Å; C330-C338 PolarHBondContact SG-SG 3.36Å; N334-C338 PolarHBondContact O-SG 3.37Å; I335-C338 PolarHBondContact O-N 3.08Å; C338-L340 HydrophobicContact CB-CD2 4.17Å
339	L	95.6	Very high	90.5	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	111.4	162.8	179.4	69.4	0	0	0	109.5	W292 V297 P298 Y299 M300 I341 M363 L380 T383	W292-L339 HydrophobicContact CH2-CB 4.11Å; W292-L339 HydrophobicContact CZ2-CB 4.48Å; V297-L339 HydrophobicContact CG1-CB 3.98Å; V297-L339 HydrophobicContact CG1-CD2 4.2Å; P298-L339 PolarHBondContact O-N 3.43Å; Y299-L339 CarbonylContact C-O 3.51Å; Y299-L339 WeakPolarHBondContact CA-O 3.37Å; M300-L339 PolarHBondContact N-O 3.18Å; L339-I341 HydrophobicContact CD2-CD1 4.12Å; L339-I341 HydrophobicContact CD2-CG1 4.13Å; L339-I341 HydrophobicContact CG-CG1 4.04Å; L339-M363 HydrophobicContact CD1-CG 4.08Å; L339-M363 HydrophobicContact CD1-SD 4.38Å; L339-M363 HydrophobicContact CD2-SD 3.84Å; L339-M363 HydrophobicContact CG-SD 4.47Å; L339-L380 HydrophobicContact CD2-CD2 4.44Å; L339-T383 HydrophobicContact CD1-CG2 3.81Å; L339-T383 HydrophobicContact CD2-CG2 3.9Å; L339-T383 HydrophobicContact CG-CG2 4.31Å
340	L	94.3	Very high	90.4	Very high	1 Å²	1	68.9 Å²	68.9	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.1	177.5	-53.7	-177	0	0	0	110.3	M300 I335 C338 Y342 K360 S361 F362 M363	M300-L340 HydrophobicContact CB-CD2 4.05Å; I335-L340 HydrophobicContact CD1-CD2 4.23Å; I335-L340 HydrophobicContact CG1-CD1 4.32Å; I335-L340 HydrophobicContact CG1-CD2 3.7Å; C338-L340 HydrophobicContact CB-CD2 4.17Å; L340-Y342 HydrophobicContact CB-CD2 4.34Å; L340-Y342 HydrophobicContact CB-CE2 3.54Å; L340-Y342 HydrophobicContact CD1-CE2 4.44Å; L340-Y342 WeakPolarHBondContact CD1-OH 3.33Å; L340-K360 HydrophobicContact CD1-CB 4.42Å; L340-K360 HydrophobicContact CD1-CD 3.87Å; L340-K360 HydrophobicContact CD1-CG 4.39Å; L340-S361 PolarHBondContact N-O 3.1Å; L340-F362 CarbonylContact O-C 3.42Å; L340-F362 WeakPolarHBondContact O-CA 3.14Å; L340-F362 WeakPolarHBondContact O-CB 3.49Å; L340-M363 PolarHBondContact O-N 2.77Å
341	I	96	Very high	90.3	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	106.1	-172.6	-48.3	175.9	0	0	0	109.4	Y299 M300 M302 F303 L312 M316 L339 M363 L365	Y299-I341 HydrophobicContact CD2-CD1 3.98Å; M300-I341 PolarHBondContact O-N 3.25Å; M302-I341 WeakPolarHBondContact CB-O 3.4Å; M302-I341 PolarHBondContact N-O 3.26Å; F303-I341 WeakPolarHBondContact CD1-O 3.3Å; F303-I341 HydrophobicContact CE1-CB 4.37Å; F303-I341 HydrophobicContact CE1-CG2 3.84Å; L312-I341 HydrophobicContact CD2-CD1 3.65Å; M316-I341 HydrophobicContact CE-CD1 4.03Å; L339-I341 HydrophobicContact CD2-CD1 4.12Å; L339-I341 HydrophobicContact CD2-CG1 4.13Å; L339-I341 HydrophobicContact CG-CG1 4.04Å; I341-M363 HydrophobicContact CB-CB 4.41Å; I341-M363 HydrophobicContact CG1-CB 4.33Å; I341-M363 HydrophobicContact CG2-CB 3.99Å; I341-L365 HydrophobicContact CG2-CD1 3.68Å; I341-L365 HydrophobicContact CG2-CG 4.26Å
342	Y	94.5	Very high	90.2	Very high	84 Å²	84	64.7 Å²	64.7	33%	0.329	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	142.9	-177.6	-62.7	-83.7	0	0	0	111.6	M302 L340 F362 M363 L365	M302-Y342 HydrophobicContact CB-CD1 3.67Å; M302-Y342 HydrophobicContact CB-CE1 3.83Å; M302-Y342 HydrophobicContact CB-CG 4.36Å; M302-Y342 HydrophobicContact CE-CE1 4.38Å; M302-Y342 HydrophobicContact CG-CD1 3.96Å; M302-Y342 HydrophobicContact CG-CE1 3.68Å; L340-Y342 HydrophobicContact CB-CD2 4.34Å; L340-Y342 HydrophobicContact CB-CE2 3.54Å; L340-Y342 HydrophobicContact CD1-CE2 4.44Å; L340-Y342 WeakPolarHBondContact CD1-OH 3.33Å; Y342-F362 HydrophobicContact CD2-CB 4.35Å; Y342-F362 HydrophobicContact CE2-CB 4.23Å; Y342-M363 PolarHBondContact N-O 2.78Å; Y342-L365 PolarHBondContact O-N 2.93Å
343	A	93.4	Very high	90.4	Very high	46 Å²	46	56.6 Å²	56.6	38%	0.38	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	145.8	166.1	0	0	0	0	0	110.1	F303 L365 L367	F303-A343 HydrophobicContact CB-CB 3.87Å; F303-A343 HydrophobicContact CD1-CB 4.33Å; F303-A343 HydrophobicContact CG-CB 4.29Å; A343-L365 CarbonylContact C-O 3.5Å; A343-L365 WeakPolarHBondContact CA-O 3.35Å; A343-L367 HydrophobicContact CB-CD1 3.73Å; A343-L367 HydrophobicContact CB-CD2 4.03Å; A343-L367 HydrophobicContact CB-CG 3.75Å
344	T	90.8	Very high	90.3	Very high	26 Å²	26	48 Å²	48	16%	0.16	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.3	172.3	-176.2	0	0	0	0	111.1	E346 V348 L364 L365 N366	T344-E346 HydrophobicContact CG2-CB 4.38Å; T344-E346 WeakPolarHBondContact CG2-O 2.84Å; T344-E346 PolarHBondContact OG1-N 3.46Å; T344-E346 VanDerWaalsContact OG1-N 3.11Å; T344-V348 HydrophobicContact CG2-CG1 3.69Å; T344-L364 HydrophobicContact CG2-CD1 4.11Å; T344-L364 HydrophobicContact CG2-CD2 4.09Å; T344-L364 HydrophobicContact CG2-CG 3.63Å; T344-L365 PolarHBondContact N-O 3.1Å; T344-N366 WeakPolarHBondContact O-CA 3.4Å; T344-N366 PolarHBondContact O-ND2 3.15Å
345	E	92.4	Very high	90.4	Very high	159 Å²	159	45 Å²	45	74%	0.743	24%	0.235	S	C	*	.	S	Bend	trans	-85.6	-18.2	170.2	-63	-59.7	147.4	0	0	111.9	N366	E345-N366 PolarHBondContact O-ND2 3.45Å; E345-N366 VanDerWaalsContact O-ND2 3.16Å
346	E	90.2	Very high	90.3	Very high	117 Å²	117	42.6 Å²	42.6	55%	0.547	22%	0.222	S	C	.	.	S	Bend	trans	-64.9	141.9	174	-64.8	-176.9	176.3	0	0	110.4	T344 V348 N366	T344-E346 HydrophobicContact CG2-CB 4.38Å; T344-E346 WeakPolarHBondContact CG2-O 2.84Å; T344-E346 PolarHBondContact OG1-N 3.46Å; T344-E346 VanDerWaalsContact OG1-N 3.11Å; E346-V348 HydrophobicContact CB-CG1 3.97Å; E346-V348 PolarHBondContact O-N 3.45Å; E346-N366 VanDerWaalsContact O-CB 3.26Å; E346-N366 WeakPolarHBondContact O-CB 3.18Å; E346-N366 PolarHBondContact O-ND2 3.21Å
347	I	90	Very high	90.2	Very high	141 Å²	141	44.6 Å²	44.6	72%	0.723	22%	0.222	S	C	*	.	S	Bend	trans	-76.9	74.8	178.3	-62.1	168.9	0	0	0	109.1	E369	I347-E369 HydrophobicContact CB-CG 4.5Å; I347-E369 HydrophobicContact CG1-CG 4.29Å; I347-E369 HydrophobicContact CG2-CB 4.49Å; I347-E369 HydrophobicContact CG2-CG 3.86Å
348	V	88.6	Confident	89.8	Confident	35 Å²	35	45.8 Å²	45.8	21%	0.212	24%	0.236	C	C	.	.			trans	-142.6	142.2	-178.7	66	0	0	0	0	110.9	T344 E346 Q350 L364 N366 C370	T344-V348 HydrophobicContact CG2-CG1 3.69Å; E346-V348 HydrophobicContact CB-CG1 3.97Å; E346-V348 PolarHBondContact O-N 3.45Å; V348-Q350 HydrophobicContact CG2-CB 4.24Å; V348-Q350 HydrophobicContact CG2-CG 4.06Å; V348-L364 HydrophobicContact CG1-CD2 4.03Å; V348-L364 HydrophobicContact CG1-CG 4.45Å; V348-N366 PolarHBondContact O-N 3.35Å; V348-C370 PolarHBondContact O-SG 3.31Å; V348-C370 VanDerWaalsContact O-SG 3.32Å
349	C	92.7	Very high	89.1	Confident	30 Å²	30	51.4 Å²	51.4	20%	0.203	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.1	163	-46.8	0	0	0	0	105.8	L365 C370 L375 E379	C349-L365 HydrophobicContact CB-CD2 4.39Å; C349-C370 VanDerWaalsContact CA-SG 3.51Å; C349-C370 HydrophobicContact CB-CB 4.13Å; C349-C370 WeakPolarHBondContact CB-SG 3.49Å; C349-C370 VanDerWaalsContact SG-CA 3.54Å; C349-C370 WeakPolarHBondContact SG-CB 3.41Å; C349-C370 CovalentContact SG-SG 2.02Å; C349-C370 PolarHBondContact SG-SG 3.05Å; C349-L375 HydrophobicContact CB-CD2 4.43Å; C349-L375 HydrophobicContact CB-CG 4.47Å; C349-E379 HydrophobicContact CB-CG 4.17Å
350	Q	93	Very high	88.5	Confident	78 Å²	78	56.6 Å²	56.6	36%	0.364	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	154.5	178	62.1	179	7.4	0	0	111.9	V348 M363 L364 E379	V348-Q350 HydrophobicContact CG2-CB 4.24Å; V348-Q350 HydrophobicContact CG2-CG 4.06Å; Q350-M363 WeakPolarHBondContact O-CA 3.5Å; Q350-L364 HydrophobicContact CG-CB 3.76Å; Q350-L364 PolarHBondContact N-O 2.86Å; Q350-L364 PolarHBondContact O-N 3.36Å; Q350-E379 WeakPolarHBondContact CA-OE2 3.23Å
351	S	92.9	Very high	88.4	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.063	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150	175.9	-165.5	0	0	0	0	111.5	M363 E379 T383	S351-M363 WeakPolarHBondContact OG-CG 3.23Å; S351-E379 WeakPolarHBondContact CB-O 3.25Å; S351-E379 PolarHBondContact N-OE2 2.96Å; S351-E379 VanDerWaalsContact N-OE2 3.09Å; S351-E379 PolarHBondContact OG-O 3.26Å; S351-T383 PolarHBondContact OG-OG1 2.95Å
352	T	88.1	Confident	88.2	Confident	11 Å²	11	58.8 Å²	58.8	7%	0.067	29%	0.293	C	S	.	.			trans	-63.1	142.7	165.7	50.9	0	0	0	0	110.7	Q356 F362 H382 T383	T352-Q356 HydrophobicContact CG2-CG 3.86Å; T352-F362 HydrophobicContact CG2-CD1 3.38Å; T352-F362 HydrophobicContact CG2-CD2 4.48Å; T352-F362 HydrophobicContact CG2-CE1 3.38Å; T352-F362 HydrophobicContact CG2-CE2 4.48Å; T352-F362 HydrophobicContact CG2-CG 3.96Å; T352-F362 HydrophobicContact CG2-CZ 3.97Å; T352-F362 PolarHBondContact N-O 2.93Å; T352-F362 PolarHBondContact OG1-N 3.16Å; T352-F362 VanDerWaalsContact OG1-N 3.14Å; T352-F362 PolarHBondContact OG1-O 3.1Å; T352-H382 CarbonylContact O-C 3.54Å; T352-T383 WeakPolarHBondContact O-CA 3.38Å; T352-T383 PolarHBondContact O-N 2.64Å
353	V	87.7	Confident	88.2	Confident	6 Å²	6	54.8 Å²	54.8	4%	0.036	28%	0.277	C	S	.	.	S	Bend	trans	-87.9	112.8	178	-171.9	0	0	0	0	111.4	R280 Q356 H382 G385 Q387	R280-V353 HydrophobicContact CG-CB 4.43Å; R280-V353 VanDerWaalsContact CZ-CG2 3.46Å; V353-Q356 PolarHBondContact O-NE2 3.19Å; V353-H382 CarbonylContact C-O 3.29Å; V353-H382 WeakPolarHBondContact CA-O 3.44Å; V353-H382 HydrophobicContact CG2-CB 4.31Å; V353-G385 VanDerWaalsContact CG1-O 3.29Å; V353-G385 WeakPolarHBondContact CG1-O 3.39Å; V353-Q387 VanDerWaalsContact CG1-NE2 3.33Å
354	G	86.6	Confident	88.2	Confident	2 Å²	2	54.3 Å²	54.3	2%	0.021	27%	0.268	C	S	.	.	S	Bend	trans	75.9	177.8	-175.3	0	0	0	0	0	112.9	H382 T383	G354-H382 PolarHBondContact N-O 3.41Å; G354-T383 CarbonylContact C-O 3.59Å; G354-T383 VanDerWaalsContact C-O 3.31Å; G354-T383 WeakPolarHBondContact CA-O 3.24Å; G354-T383 PolarHBondContact N-O 2.9Å
355	R	87.6	Confident	88.4	Confident	18 Å²	18	53.1 Å²	53.1	7%	0.068	26%	0.26	C	S	.	.			trans	-66.1	132	170.3	-174.7	-176.9	177.4	-152.5	1.7	109	W290 M291 W292 P293 E337 Y357	W290-R355 VanDerWaalsContact CA-O 3.3Å; W290-R355 WeakPolarHBondContact CA-O 3.47Å; W290-R355 WeakPolarHBondContact O-CB 3.3Å; W290-R355 PolarHBondContact O-N 3.07Å; M291-R355 WeakPolarHBondContact O-CD 3.24Å; W292-R355 HydrophobicContact CD2-CB 3.93Å; W292-R355 HydrophobicContact CD2-CG 4.22Å; W292-R355 HydrophobicContact CE3-CB 4.44Å; W292-R355 HydrophobicContact CE3-CG 4.23Å; W292-R355 HydrophobicContact CG-CB 4.23Å; W292-R355 HydrophobicContact CH2-CG 4.38Å; W292-R355 HydrophobicContact CZ2-CB 4.13Å; W292-R355 HydrophobicContact CZ2-CG 4.35Å; W292-R355 HydrophobicContact CZ3-CG 4.32Å; P293-R355 VanDerWaalsContact CG-NH1 3.33Å; E337-R355 IonicContact OE1-NH2 2.6Å; E337-R355 PolarHBondContact OE1-NH2 3.09Å; E337-R355 VanDerWaalsContact OE1-NH2 3.16Å; R355-Y357 PolarHBondContact O-N 2.55Å
356	Q	82.4	Confident	88.5	Confident	7 Å²	7	45.9 Å²	45.9	3%	0.033	23%	0.227	C	C	.	.			trans	-98.7	41.8	-178.3	-63.4	-67	-56.3	0	0	112.3	T279 T352 V353 K359 S361	T279-Q356 PolarHBondContact OG1-OE1 3.39Å; T352-Q356 HydrophobicContact CG2-CG 3.86Å; V353-Q356 PolarHBondContact O-NE2 3.19Å; Q356-K359 CarbonylContact C-O 3.54Å; Q356-K359 HydrophobicContact CB-CB 4.32Å; Q356-K359 CarbonylContact O-C 3.57Å; Q356-K359 WeakPolarHBondContact O-CA 3.43Å; Q356-K359 WeakPolarHBondContact O-CB 2.9Å; Q356-K359 PolarHBondContact O-N 2.79Å; Q356-S361 PolarHBondContact N-OG 3.32Å
357	Y	80.1	Confident	88.7	Confident	93 Å²	93	41.7 Å²	41.7	37%	0.365	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	135.9	-173.4	-174.3	-92.7	0	0	0	112.6	E337 R355	E337-Y357 HydrophobicContact CG-CE2 4.45Å; R355-Y357 PolarHBondContact O-N 2.55Å
358	P	76.4	Confident	88.9	Confident	96 Å²	96	44 Å²	44	62%	0.623	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	cis	-90.3	6.1	5.4	36.6	-37.3	0	0	0	115
359	K	78.8	Confident	89.1	Confident	120 Å²	120	47.2 Å²	47.2	52%	0.522	22%	0.22	S	C	.	.	S	Bend	trans	-71.8	172.6	171.3	-56.1	179.7	-178.7	173.3	0	110.3	Q356	Q356-K359 CarbonylContact C-O 3.54Å; Q356-K359 HydrophobicContact CB-CB 4.32Å; Q356-K359 CarbonylContact O-C 3.57Å; Q356-K359 WeakPolarHBondContact O-CA 3.43Å; Q356-K359 WeakPolarHBondContact O-CB 2.9Å; Q356-K359 PolarHBondContact O-N 2.79Å
360	K	82.5	Confident	89.2	Confident	110 Å²	110	45.8 Å²	45.8	48%	0.478	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-85.1	130.6	177.8	-66.8	175.3	176.9	-177.9	0	109.9	L340	L340-K360 HydrophobicContact CD1-CB 4.42Å; L340-K360 HydrophobicContact CD1-CD 3.87Å; L340-K360 HydrophobicContact CD1-CG 4.39Å
361	S	91.4	Very high	89.2	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.007	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	139	166.1	-46.4	0	0	0	0	108.4	L340 Q356	L340-S361 PolarHBondContact N-O 3.1Å; Q356-S361 PolarHBondContact N-OG 3.32Å
362	F	92.9	Very high	89.2	Confident	46 Å²	46	49.6 Å²	49.6	20%	0.202	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	158.2	-177.7	70.5	-90.1	0	0	0	113.5	Y275 L340 Y342 T352	Y275-F362 HydrophobicContact CD1-CZ 4.43Å; Y275-F362 HydrophobicContact CE1-CE1 4.18Å; Y275-F362 HydrophobicContact CE1-CZ 4.25Å; L340-F362 CarbonylContact O-C 3.42Å; L340-F362 WeakPolarHBondContact O-CA 3.14Å; L340-F362 WeakPolarHBondContact O-CB 3.49Å; Y342-F362 HydrophobicContact CD2-CB 4.35Å; Y342-F362 HydrophobicContact CE2-CB 4.23Å; T352-F362 HydrophobicContact CG2-CD1 3.38Å; T352-F362 HydrophobicContact CG2-CD2 4.48Å; T352-F362 HydrophobicContact CG2-CE1 3.38Å; T352-F362 HydrophobicContact CG2-CE2 4.48Å; T352-F362 HydrophobicContact CG2-CG 3.96Å; T352-F362 HydrophobicContact CG2-CZ 3.97Å; T352-F362 PolarHBondContact N-O 2.93Å; T352-F362 PolarHBondContact OG1-N 3.16Å; T352-F362 VanDerWaalsContact OG1-N 3.14Å; T352-F362 PolarHBondContact OG1-O 3.1Å
363	M	94.7	Very high	89.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.5	166.9	-82.9	173.2	60.2	0	0	109.5	L339 L340 I341 Y342 Q350 S351 L365 E379 L380	L339-M363 HydrophobicContact CD1-CG 4.08Å; L339-M363 HydrophobicContact CD1-SD 4.38Å; L339-M363 HydrophobicContact CD2-SD 3.84Å; L339-M363 HydrophobicContact CG-SD 4.47Å; L340-M363 PolarHBondContact O-N 2.77Å; I341-M363 HydrophobicContact CB-CB 4.41Å; I341-M363 HydrophobicContact CG1-CB 4.33Å; I341-M363 HydrophobicContact CG2-CB 3.99Å; Y342-M363 PolarHBondContact N-O 2.78Å; Q350-M363 WeakPolarHBondContact O-CA 3.5Å; S351-M363 WeakPolarHBondContact OG-CG 3.23Å; M363-L365 HydrophobicContact CE-CD1 3.82Å; M363-L365 HydrophobicContact CE-CD2 3.76Å; M363-L365 HydrophobicContact CE-CG 4.05Å; M363-E379 HydrophobicContact CE-CB 3.73Å; M363-E379 HydrophobicContact SD-CB 4.49Å; M363-L380 HydrophobicContact SD-CD2 4.02Å
364	L	92.8	Very high	89.7	Confident	36 Å²	36	50.4 Å²	50.4	19%	0.188	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	116.5	173.7	-168.1	70.7	0	0	0	108.3	T344 V348 Q350	T344-L364 HydrophobicContact CG2-CD1 4.11Å; T344-L364 HydrophobicContact CG2-CD2 4.09Å; T344-L364 HydrophobicContact CG2-CG 3.63Å; V348-L364 HydrophobicContact CG1-CD2 4.03Å; V348-L364 HydrophobicContact CG1-CG 4.45Å; Q350-L364 HydrophobicContact CG-CB 3.76Å; Q350-L364 PolarHBondContact N-O 2.86Å; Q350-L364 PolarHBondContact O-N 3.36Å
365	L	94.5	Very high	90.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.6	-171.2	-60.5	-179.7	0	0	0	111.6	F308 I341 Y342 A343 T344 C349 M363 L367 C370 L376 E379	F308-L365 HydrophobicContact CE1-CD1 3.66Å; F308-L365 HydrophobicContact CZ-CB 4.4Å; F308-L365 HydrophobicContact CZ-CD1 3.92Å; I341-L365 HydrophobicContact CG2-CD1 3.68Å; I341-L365 HydrophobicContact CG2-CG 4.26Å; Y342-L365 PolarHBondContact O-N 2.93Å; A343-L365 CarbonylContact C-O 3.5Å; A343-L365 WeakPolarHBondContact CA-O 3.35Å; T344-L365 PolarHBondContact N-O 3.1Å; C349-L365 HydrophobicContact CB-CD2 4.39Å; M363-L365 HydrophobicContact CE-CD1 3.82Å; M363-L365 HydrophobicContact CE-CD2 3.76Å; M363-L365 HydrophobicContact CE-CG 4.05Å; L365-L367 HydrophobicContact CB-CD2 4.27Å; L365-L367 PolarHBondContact O-N 3.04Å; L365-C370 HydrophobicContact CB-CB 4.34Å; L365-C370 HydrophobicContact CD2-CB 4.14Å; L365-L376 HydrophobicContact CD1-CD2 3.85Å; L365-L376 HydrophobicContact CD2-CD2 4.23Å; L365-E379 HydrophobicContact CD2-CG 4.39Å
366	N	95.1	Very high	90.5	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.043	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	112.7	160.3	-168.9	-72.9	0	0	0	109.9	T344 E345 E346 V348 R368 E369 C370	T344-N366 WeakPolarHBondContact O-CA 3.4Å; T344-N366 PolarHBondContact O-ND2 3.15Å; E345-N366 PolarHBondContact O-ND2 3.45Å; E345-N366 VanDerWaalsContact O-ND2 3.16Å; E346-N366 VanDerWaalsContact O-CB 3.26Å; E346-N366 WeakPolarHBondContact O-CB 3.18Å; E346-N366 PolarHBondContact O-ND2 3.21Å; V348-N366 PolarHBondContact O-N 3.35Å; N366-R368 PolarHBondContact O-N 3.33Å; N366-R368 WeakPolarHBondContact OD1-CA 2.94Å; N366-R368 WeakPolarHBondContact OD1-CB 3.11Å; N366-R368 PolarHBondContact OD1-N 3.18Å; N366-E369 HydrophobicContact CB-CB 4.11Å; N366-E369 HydrophobicContact CB-CG 4.37Å; N366-E369 PolarHBondContact O-N 3.45Å; N366-E369 PolarHBondContact OD1-N 3.06Å; N366-C370 PolarHBondContact N-SG 3.05Å; N366-C370 VanDerWaalsContact O-CB 3.23Å; N366-C370 WeakPolarHBondContact O-CB 3.47Å; N366-C370 PolarHBondContact O-N 3.35Å; N366-C370 PolarHBondContact O-SG 3.02Å
367	L	94.3	Very high	91.2	Very high	28 Å²	28	51.4 Å²	51.4	15%	0.147	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-9	-173.9	-54.5	-172.3	0	0	0	113.8	F303 N305 F308 A343 L365 K371	F303-L367 HydrophobicContact CB-CD1 4.46Å; F303-L367 HydrophobicContact CD1-CD2 4.47Å; F303-L367 HydrophobicContact CD2-CD1 4.11Å; F303-L367 HydrophobicContact CE1-CD2 4.4Å; F303-L367 HydrophobicContact CG-CD1 4.26Å; F303-L367 HydrophobicContact CZ-CD2 4.43Å; N305-L367 HydrophobicContact CB-CD1 3.8Å; F308-L367 HydrophobicContact CB-CD2 4.49Å; F308-L367 HydrophobicContact CD1-CD2 3.64Å; F308-L367 HydrophobicContact CD2-CB 3.89Å; F308-L367 HydrophobicContact CD2-CD2 3.93Å; F308-L367 HydrophobicContact CD2-CG 4.47Å; F308-L367 VanDerWaalsContact CD2-O 3.32Å; F308-L367 WeakPolarHBondContact CD2-O 3.21Å; F308-L367 HydrophobicContact CE1-CD2 3.72Å; F308-L367 HydrophobicContact CE2-CB 4.25Å; F308-L367 HydrophobicContact CE2-CD2 4.01Å; F308-L367 HydrophobicContact CG-CB 4.3Å; F308-L367 HydrophobicContact CG-CD2 3.75Å; F308-L367 HydrophobicContact CG-CG 4.46Å; F308-L367 HydrophobicContact CZ-CD2 3.89Å; A343-L367 HydrophobicContact CB-CD1 3.73Å; A343-L367 HydrophobicContact CB-CD2 4.03Å; A343-L367 HydrophobicContact CB-CG 3.75Å; L365-L367 HydrophobicContact CB-CD2 4.27Å; L365-L367 PolarHBondContact O-N 3.04Å; L367-K371 WeakPolarHBondContact O-CE 3.47Å; L367-K371 WeakPolarHBondContact O-CG 3.27Å
368	R	94.2	Very high	92	Very high	189 Å²	189	47.3 Å²	47.3	71%	0.713	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-47.2	173.9	-57.8	-178.2	-174.5	-173.9	3.5	110.9	N366	N366-R368 PolarHBondContact O-N 3.33Å; N366-R368 WeakPolarHBondContact OD1-CA 2.94Å; N366-R368 WeakPolarHBondContact OD1-CB 3.11Å; N366-R368 PolarHBondContact OD1-N 3.18Å
369	E	93.3	Very high	92.9	Very high	104 Å²	104	43.3 Å²	43.3	49%	0.486	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-84.8	-33.2	-173.5	-55.4	-59.8	142.8	0	0	112.9	I347 N366 K371	I347-E369 HydrophobicContact CB-CG 4.5Å; I347-E369 HydrophobicContact CG1-CG 4.29Å; I347-E369 HydrophobicContact CG2-CB 4.49Å; I347-E369 HydrophobicContact CG2-CG 3.86Å; N366-E369 HydrophobicContact CB-CB 4.11Å; N366-E369 HydrophobicContact CB-CG 4.37Å; N366-E369 PolarHBondContact O-N 3.45Å; N366-E369 PolarHBondContact OD1-N 3.06Å; E369-K371 PolarHBondContact O-N 2.99Å; E369-K371 VanDerWaalsContact O-N 3.17Å
370	C	94.1	Very high	93.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-85	22.2	-177.4	-47	0	0	0	0	113.7	F308 V348 C349 L365 N366 I372 L376	F308-C370 HydrophobicContact CE2-CB 4.39Å; F308-C370 HydrophobicContact CZ-CB 4.12Å; V348-C370 PolarHBondContact O-SG 3.31Å; V348-C370 VanDerWaalsContact O-SG 3.32Å; C349-C370 VanDerWaalsContact CA-SG 3.51Å; C349-C370 HydrophobicContact CB-CB 4.13Å; C349-C370 WeakPolarHBondContact CB-SG 3.49Å; C349-C370 VanDerWaalsContact SG-CA 3.54Å; C349-C370 WeakPolarHBondContact SG-CB 3.41Å; C349-C370 CovalentContact SG-SG 2.02Å; C349-C370 PolarHBondContact SG-SG 3.05Å; L365-C370 HydrophobicContact CB-CB 4.34Å; L365-C370 HydrophobicContact CD2-CB 4.14Å; N366-C370 PolarHBondContact N-SG 3.05Å; N366-C370 VanDerWaalsContact O-CB 3.23Å; N366-C370 WeakPolarHBondContact O-CB 3.47Å; N366-C370 PolarHBondContact O-N 3.35Å; N366-C370 PolarHBondContact O-SG 3.02Å; C370-I372 VanDerWaalsContact C-N 3.27Å; C370-I372 PolarHBondContact O-N 3.01Å; C370-L376 WeakPolarHBondContact O-CG 3.36Å
371	K	93.2	Very high	94.3	Very high	76 Å²	76	32.3 Å²	32.3	33%	0.33	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-78.8	-4.1	-177.8	-70.7	-169.7	174	-161.1	0	114.4	E307 F308 I311 L367 E369	E307-K371 IonicContact OE1-NZ 3.74Å; E307-K371 PolarHBondContact OE1-NZ 3.19Å; E307-K371 IonicContact OE2-NZ 3.98Å; F308-K371 HydrophobicContact CD2-CG 3.84Å; F308-K371 HydrophobicContact CE2-CG 3.85Å; I311-K371 HydrophobicContact CD1-CB 4.2Å; I311-K371 HydrophobicContact CD1-CD 4.3Å; I311-K371 HydrophobicContact CD1-CG 4.16Å; I311-K371 WeakPolarHBondContact CG2-O 3.42Å; L367-K371 WeakPolarHBondContact O-CE 3.47Å; L367-K371 WeakPolarHBondContact O-CG 3.27Å; E369-K371 PolarHBondContact O-N 2.99Å; E369-K371 VanDerWaalsContact O-N 3.17Å
372	I	92.3	Very high	94.4	Very high	91 Å²	91	32.7 Å²	32.7	47%	0.467	16%	0.157	S	C	.	.			trans	-79.7	122	-179.1	-56.6	175.8	0	0	0	109.3	C370 G374 L375 L376 R463	C370-I372 VanDerWaalsContact C-N 3.27Å; C370-I372 PolarHBondContact O-N 3.01Å; I372-G374 VanDerWaalsContact C-N 3.32Å; I372-G374 PolarHBondContact O-N 3.14Å; I372-L375 HydrophobicContact CB-CB 3.87Å; I372-L375 HydrophobicContact CG2-CB 4.31Å; I372-L375 WeakPolarHBondContact O-CA 3.34Å; I372-L375 WeakPolarHBondContact O-CB 3.48Å; I372-L375 PolarHBondContact O-N 3.23Å; I372-L376 PolarHBondContact O-N 2.93Å; I372-R463 HydrophobicContact CG2-CB 4.4Å; I372-R463 WeakPolarHBondContact CG2-O 3.29Å
373	G	92.1	Very high	94.4	Very high	31 Å²	31	30.5 Å²	30.5	32%	0.32	15%	0.147	S	C	.	.	H	α-helix	trans	-56.4	-41.1	-175.9	0	0	0	0	0	114.1	L376 Q377	G373-L376 PolarHBondContact O-N 3.4Å; G373-Q377 WeakPolarHBondContact O-CG 3.09Å; G373-Q377 PolarHBondContact O-N 3.08Å
374	G	94.4	Very high	94.2	Very high	2 Å²	2	31.3 Å²	31.3	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-71	-31.5	174.6	0	0	0	0	0	113.4	I372 L376 Q377 H378 I433 R463	I372-G374 VanDerWaalsContact C-N 3.32Å; I372-G374 PolarHBondContact O-N 3.14Å; G374-L376 VanDerWaalsContact C-N 3.31Å; G374-L376 PolarHBondContact O-N 3.14Å; G374-Q377 WeakPolarHBondContact O-CB 3.44Å; G374-Q377 PolarHBondContact O-N 3.17Å; G374-H378 PolarHBondContact O-N 3.16Å; G374-I433 WeakPolarHBondContact O-CD1 3.43Å; G374-R463 VanDerWaalsContact CA-O 3.27Å; G374-R463 WeakPolarHBondContact CA-O 3.16Å
375	L	94.7	Very high	93.9	Very high	30 Å²	30	30 Å²	30	16%	0.157	15%	0.146	C	C	.	.	H	α-helix	trans	-64.6	-38.9	172.7	-175.1	56.9	0	0	0	111.3	C349 I372 H378 E379	C349-L375 HydrophobicContact CB-CD2 4.43Å; C349-L375 HydrophobicContact CB-CG 4.47Å; I372-L375 HydrophobicContact CB-CB 3.87Å; I372-L375 HydrophobicContact CG2-CB 4.31Å; I372-L375 WeakPolarHBondContact O-CA 3.34Å; I372-L375 WeakPolarHBondContact O-CB 3.48Å; I372-L375 PolarHBondContact O-N 3.23Å; L375-H378 VanDerWaalsContact O-CB 3.29Å; L375-H378 WeakPolarHBondContact O-CB 3.26Å; L375-H378 PolarHBondContact O-N 3.09Å; L375-E379 PolarHBondContact O-N 3.29Å; L375-E379 VanDerWaalsContact O-N 3.15Å
376	L	96.9	Very high	93.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-66.2	-37.6	172.8	-69.8	169.2	0	0	0	112.4	F308 I311 L312 A315 L365 C370 I372 G373 G374 H378 E379 L380	F308-L376 HydrophobicContact CE1-CD2 4.33Å; F308-L376 HydrophobicContact CZ-CD1 4.39Å; F308-L376 HydrophobicContact CZ-CD2 4.02Å; I311-L376 HydrophobicContact CG2-CD1 3.68Å; L312-L376 HydrophobicContact CD1-CD2 4.27Å; A315-L376 HydrophobicContact CB-CB 3.65Å; A315-L376 HydrophobicContact CB-CD1 4.34Å; L365-L376 HydrophobicContact CD1-CD2 3.85Å; L365-L376 HydrophobicContact CD2-CD2 4.23Å; C370-L376 WeakPolarHBondContact O-CG 3.36Å; I372-L376 PolarHBondContact O-N 2.93Å; G373-L376 PolarHBondContact O-N 3.4Å; G374-L376 VanDerWaalsContact C-N 3.31Å; G374-L376 PolarHBondContact O-N 3.14Å; L376-H378 VanDerWaalsContact C-N 3.28Å; L376-H378 PolarHBondContact O-N 3.44Å; L376-E379 PolarHBondContact O-N 3.12Å; L376-L380 WeakPolarHBondContact O-CB 2.86Å; L376-L380 WeakPolarHBondContact O-CG 3.47Å; L376-L380 PolarHBondContact O-N 3.28Å
377	Q	96.8	Very high	93.4	Very high	18 Å²	18	29.7 Å²	29.7	8%	0.084	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-39.6	172.5	-70.7	169	33.8	0	0	111.6	A315 I319 G373 G374 L380 L381 I433 M466	A315-Q377 HydrophobicContact CB-CG 4.28Å; I319-Q377 HydrophobicContact CD1-CG 4.38Å; I319-Q377 HydrophobicContact CG1-CG 4.22Å; G373-Q377 WeakPolarHBondContact O-CG 3.09Å; G373-Q377 PolarHBondContact O-N 3.08Å; G374-Q377 WeakPolarHBondContact O-CB 3.44Å; G374-Q377 PolarHBondContact O-N 3.17Å; Q377-L380 PolarHBondContact O-N 3.36Å; Q377-L381 WeakPolarHBondContact O-CB 3.33Å; Q377-L381 WeakPolarHBondContact O-CD1 3.47Å; Q377-L381 WeakPolarHBondContact O-CG 3.48Å; Q377-L381 PolarHBondContact O-N 3.05Å; Q377-I433 HydrophobicContact CB-CD1 3.93Å; Q377-M466 HydrophobicContact CB-CG 4.36Å
378	H	96.3	Very high	93.3	Very high	7 Å²	7	29.3 Å²	29.3	3%	0.032	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-50	174.4	-179.2	100.6	0	0	0	112.1	G374 L375 L376 L380 L381 H382 H388 I433 M434	G374-H378 PolarHBondContact O-N 3.16Å; L375-H378 VanDerWaalsContact O-CB 3.29Å; L375-H378 WeakPolarHBondContact O-CB 3.26Å; L375-H378 PolarHBondContact O-N 3.09Å; L376-H378 VanDerWaalsContact C-N 3.28Å; L376-H378 PolarHBondContact O-N 3.44Å; H378-L380 VanDerWaalsContact C-N 3.32Å; H378-L380 PolarHBondContact O-N 3.47Å; H378-L381 WeakPolarHBondContact O-CB 3.42Å; H378-L381 PolarHBondContact O-N 3.25Å; H378-H382 AromaticContact CD2-CD2 3.71Å; H378-H382 AromaticContact CD2-NE2 3.72Å; H378-H382 AromaticContact NE2-CD2 3.72Å; H378-H382 AromaticContact NE2-NE2 3.2Å; H378-H382 PolarHBondContact NE2-NE2 3.33Å; H378-H382 PolarHBondContact O-N 3.4Å; H378-H388 AromaticContact CE1-CD2 3.56Å; H378-H388 AromaticContact CE1-NE2 3.5Å; H378-H388 PolarHBondContact CE1-NE2 3.37Å; H378-H388 AromaticContact NE2-CD2 3.79Å; H378-H388 AromaticContact NE2-NE2 3.24Å; H378-H388 PolarHBondContact NE2-NE2 3.39Å; H378-I433 HydrophobicContact CB-CG1 4.37Å; H378-I433 PolarHBondContact CE1-O 3.36Å; H378-I433 PolarHBondContact ND1-O 3.02Å; H378-M434 HydrophobicContact CB-SD 4.38Å
379	E	96	Very high	93.3	Very high	11 Å²	11	20.3 Å²	20.3	5%	0.051	11%	0.108	C	C	.	.	H	α-helix	trans	-66.2	-35.2	179	-59.6	-48.5	144	0	0	112.5	C349 Q350 S351 M363 L365 L375 L376 H382 T383	C349-E379 HydrophobicContact CB-CG 4.17Å; Q350-E379 WeakPolarHBondContact CA-OE2 3.23Å; S351-E379 WeakPolarHBondContact CB-O 3.25Å; S351-E379 PolarHBondContact N-OE2 2.96Å; S351-E379 VanDerWaalsContact N-OE2 3.09Å; S351-E379 PolarHBondContact OG-O 3.26Å; M363-E379 HydrophobicContact CE-CB 3.73Å; M363-E379 HydrophobicContact SD-CB 4.49Å; L365-E379 HydrophobicContact CD2-CG 4.39Å; L375-E379 PolarHBondContact O-N 3.29Å; L375-E379 VanDerWaalsContact O-N 3.15Å; L376-E379 PolarHBondContact O-N 3.12Å; E379-H382 WeakPolarHBondContact O-CB 3.36Å; E379-H382 PolarHBondContact O-N 2.71Å; E379-H382 IonicContact OE2-CD2 2.63Å; E379-T383 PolarHBondContact O-N 3.5Å; E379-T383 VanDerWaalsContact O-N 3.1Å; E379-T383 PolarHBondContact O-OG1 2.76Å
380	L	96.1	Very high	93.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-69.2	-35.5	174.6	-69.7	168.5	0	0	0	111.7	A315 M316 I319 F327 L339 M363 L376 Q377 H378 H382 T383 L384	A315-L380 HydrophobicContact CB-CD1 4.21Å; M316-L380 HydrophobicContact CE-CD2 4.06Å; M316-L380 HydrophobicContact CG-CD1 3.8Å; M316-L380 HydrophobicContact CG-CD2 4.42Å; I319-L380 HydrophobicContact CD1-CB 3.55Å; I319-L380 HydrophobicContact CD1-CD1 3.82Å; I319-L380 HydrophobicContact CD1-CG 4.34Å; F327-L380 HydrophobicContact CE1-CD2 3.76Å; F327-L380 HydrophobicContact CZ-CB 4.34Å; F327-L380 HydrophobicContact CZ-CD1 4.43Å; F327-L380 HydrophobicContact CZ-CD2 4.03Å; F327-L380 HydrophobicContact CZ-CG 4.5Å; L339-L380 HydrophobicContact CD2-CD2 4.44Å; M363-L380 HydrophobicContact SD-CD2 4.02Å; L376-L380 WeakPolarHBondContact O-CB 2.86Å; L376-L380 WeakPolarHBondContact O-CG 3.47Å; L376-L380 PolarHBondContact O-N 3.28Å; Q377-L380 PolarHBondContact O-N 3.36Å; H378-L380 VanDerWaalsContact C-N 3.32Å; H378-L380 PolarHBondContact O-N 3.47Å; L380-H382 VanDerWaalsContact C-N 3.35Å; L380-T383 WeakPolarHBondContact O-CA 3.22Å; L380-T383 VanDerWaalsContact O-CB 3.24Å; L380-T383 WeakPolarHBondContact O-CB 3.48Å; L380-T383 PolarHBondContact O-N 3.14Å; L380-T383 VanDerWaalsContact O-N 3.13Å; L380-L384 WeakPolarHBondContact O-CG 3.34Å; L380-L384 PolarHBondContact O-N 2.73Å
381	L	94.5	Very high	93.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64	-39.9	172.9	-81.8	155.4	0	0	0	111.5	Q377 H378 T383 L384 G385 F386 I433 M434 M466	Q377-L381 WeakPolarHBondContact O-CB 3.33Å; Q377-L381 WeakPolarHBondContact O-CD1 3.47Å; Q377-L381 WeakPolarHBondContact O-CG 3.48Å; Q377-L381 PolarHBondContact O-N 3.05Å; H378-L381 WeakPolarHBondContact O-CB 3.42Å; H378-L381 PolarHBondContact O-N 3.25Å; L381-T383 VanDerWaalsContact C-N 3.32Å; L381-T383 PolarHBondContact O-N 3.13Å; L381-L384 CarbonylContact O-C 3.47Å; L381-L384 WeakPolarHBondContact O-CA 3.19Å; L381-L384 WeakPolarHBondContact O-CB 3.35Å; L381-L384 PolarHBondContact O-N 2.89Å; L381-G385 PolarHBondContact O-N 3.45Å; L381-F386 HydrophobicContact CB-CB 4.07Å; L381-F386 HydrophobicContact CB-CD1 4.46Å; L381-F386 HydrophobicContact CB-CG 4.11Å; L381-F386 HydrophobicContact CD2-CD1 3.59Å; L381-F386 HydrophobicContact CD2-CD2 3.92Å; L381-F386 HydrophobicContact CD2-CE1 3.53Å; L381-F386 HydrophobicContact CD2-CE2 3.91Å; L381-F386 HydrophobicContact CD2-CG 3.78Å; L381-F386 HydrophobicContact CD2-CZ 3.71Å; L381-F386 VanDerWaalsContact O-CB 3.26Å; L381-F386 WeakPolarHBondContact O-CB 3.13Å; L381-F386 WeakPolarHBondContact O-CD2 3.44Å; L381-F386 PolarHBondContact O-N 2.9Å; L381-I433 HydrophobicContact CD1-CG2 3.26Å; L381-M434 HydrophobicContact CB-CE 4.17Å; L381-M434 HydrophobicContact CB-CG 4.41Å; L381-M434 HydrophobicContact CB-SD 3.49Å; L381-M434 WeakPolarHBondContact CB-SD 3.29Å; L381-M434 HydrophobicContact CD1-CG 4.3Å; L381-M434 HydrophobicContact CD1-SD 3.81Å; L381-M434 HydrophobicContact CG-SD 4.28Å; L381-M466 HydrophobicContact CD1-CG 3.86Å; L381-M466 HydrophobicContact CD1-SD 3.9Å; L381-M466 HydrophobicContact CD2-SD 4.17Å; L381-M466 HydrophobicContact CG-SD 4.25Å
382	H	92.9	Very high	93.1	Very high	9 Å²	9	12 Å²	12	4%	0.042	7%	0.071	C	C	.	.	H	α-helix	trans	-55.5	-47.9	168.3	-80.1	-43.6	0	0	0	111.1	T352 V353 G354 H378 E379 L380 L384 G385 F386 H388 M434	T352-H382 CarbonylContact O-C 3.54Å; V353-H382 CarbonylContact C-O 3.29Å; V353-H382 WeakPolarHBondContact CA-O 3.44Å; V353-H382 HydrophobicContact CG2-CB 4.31Å; G354-H382 PolarHBondContact N-O 3.41Å; H378-H382 AromaticContact CD2-CD2 3.71Å; H378-H382 AromaticContact CD2-NE2 3.72Å; H378-H382 AromaticContact NE2-CD2 3.72Å; H378-H382 AromaticContact NE2-NE2 3.2Å; H378-H382 PolarHBondContact NE2-NE2 3.33Å; H378-H382 PolarHBondContact O-N 3.4Å; E379-H382 WeakPolarHBondContact O-CB 3.36Å; E379-H382 PolarHBondContact O-N 2.71Å; E379-H382 IonicContact OE2-CD2 2.63Å; L380-H382 VanDerWaalsContact C-N 3.35Å; H382-L384 PolarHBondContact O-N 2.86Å; H382-L384 VanDerWaalsContact O-N 3.1Å; H382-G385 WeakPolarHBondContact O-CA 3.12Å; H382-G385 PolarHBondContact O-N 2.05Å; H382-F386 PolarHBondContact ND1-O 3.02Å; H382-H388 AromaticContact CE1-CD2 3.59Å; H382-H388 AromaticContact CE1-CE1 3.64Å; H382-H388 AromaticContact CE1-NE2 3.21Å; H382-H388 PolarHBondContact CE1-NE2 3.47Å; H382-H388 AromaticContact NE2-CD2 3.67Å; H382-H388 AromaticContact NE2-CE1 3.53Å; H382-H388 AromaticContact NE2-NE2 2.92Å; H382-H388 PolarHBondContact NE2-NE2 3.4Å; H382-M434 WeakPolarHBondContact CE1-CE 3.27Å; H382-M434 VanDerWaalsContact ND1-CE 3.32Å; H382-M434 WeakPolarHBondContact ND1-CE 3.42Å
383	T	93	Very high	92.8	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-53.1	-35.5	174.7	-59.1	0	0	0	0	112.7	W292 V297 L339 S351 T352 G354 E379 L380 L381 G385	W292-T383 HydrophobicContact CZ2-CG2 3.69Å; W292-T383 PolarHBondContact NE1-O 2Å; V297-T383 HydrophobicContact CG1-CG2 4.04Å; L339-T383 HydrophobicContact CD1-CG2 3.81Å; L339-T383 HydrophobicContact CD2-CG2 3.9Å; L339-T383 HydrophobicContact CG-CG2 4.31Å; S351-T383 PolarHBondContact OG-OG1 2.95Å; T352-T383 WeakPolarHBondContact O-CA 3.38Å; T352-T383 PolarHBondContact O-N 2.64Å; G354-T383 CarbonylContact C-O 3.59Å; G354-T383 VanDerWaalsContact C-O 3.31Å; G354-T383 WeakPolarHBondContact CA-O 3.24Å; G354-T383 PolarHBondContact N-O 2.9Å; E379-T383 PolarHBondContact O-N 3.5Å; E379-T383 VanDerWaalsContact O-N 3.1Å; E379-T383 PolarHBondContact O-OG1 2.76Å; L380-T383 WeakPolarHBondContact O-CA 3.22Å; L380-T383 VanDerWaalsContact O-CB 3.24Å; L380-T383 WeakPolarHBondContact O-CB 3.48Å; L380-T383 PolarHBondContact O-N 3.14Å; L380-T383 VanDerWaalsContact O-N 3.13Å; L381-T383 VanDerWaalsContact C-N 3.32Å; L381-T383 PolarHBondContact O-N 3.13Å; T383-G385 PolarHBondContact O-N 3.26Å
384	L	90.8	Very high	92.5	Very high	17 Å²	17	7 Å²	7	9%	0.089	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-1	177.3	-60.5	174.4	0	0	0	114.5	V297 I319 V325 L380 L381 H382 F386	V297-L384 HydrophobicContact CG2-CD2 3.73Å; I319-L384 HydrophobicContact CG2-CD1 4.42Å; V325-L384 HydrophobicContact CG1-CD1 4.23Å; V325-L384 HydrophobicContact CG1-CD2 3.7Å; V325-L384 HydrophobicContact CG2-CD1 3.91Å; V325-L384 HydrophobicContact CG2-CD2 4.03Å; L380-L384 WeakPolarHBondContact O-CG 3.34Å; L380-L384 PolarHBondContact O-N 2.73Å; L381-L384 CarbonylContact O-C 3.47Å; L381-L384 WeakPolarHBondContact O-CA 3.19Å; L381-L384 WeakPolarHBondContact O-CB 3.35Å; L381-L384 PolarHBondContact O-N 2.89Å; H382-L384 PolarHBondContact O-N 2.86Å; H382-L384 VanDerWaalsContact O-N 3.1Å; L384-F386 HydrophobicContact CB-CD2 4.05Å; L384-F386 HydrophobicContact CB-CE2 4.2Å
385	G	87.3	Confident	92.4	Very high	7 Å²	7	7.2 Å²	7.2	7%	0.072	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.5	-1.7	177.7	0	0	0	0	0	114.4	V283 V353 L381 H382 T383 Q387	V283-G385 WeakPolarHBondContact CG2-O 3.37Å; V353-G385 VanDerWaalsContact CG1-O 3.29Å; V353-G385 WeakPolarHBondContact CG1-O 3.39Å; L381-G385 PolarHBondContact O-N 3.45Å; H382-G385 WeakPolarHBondContact O-CA 3.12Å; H382-G385 PolarHBondContact O-N 2.05Å; T383-G385 PolarHBondContact O-N 3.26Å; G385-Q387 PolarHBondContact O-N 2.89Å
386	F	88.9	Confident	92.1	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.009	5%	0.049	C	C	.	.	P	Polyproline II helix	trans	-68.7	132.2	-172.5	-75	-126.5	0	0	0	110.9	V283 L381 H382 L384 M434 K473 A474	V283-F386 HydrophobicContact CG2-CB 4.46Å; V283-F386 HydrophobicContact CG2-CD2 4.06Å; V283-F386 HydrophobicContact CG2-CG 4.26Å; L381-F386 HydrophobicContact CB-CB 4.07Å; L381-F386 HydrophobicContact CB-CD1 4.46Å; L381-F386 HydrophobicContact CB-CG 4.11Å; L381-F386 HydrophobicContact CD2-CD1 3.59Å; L381-F386 HydrophobicContact CD2-CD2 3.92Å; L381-F386 HydrophobicContact CD2-CE1 3.53Å; L381-F386 HydrophobicContact CD2-CE2 3.91Å; L381-F386 HydrophobicContact CD2-CG 3.78Å; L381-F386 HydrophobicContact CD2-CZ 3.71Å; L381-F386 VanDerWaalsContact O-CB 3.26Å; L381-F386 WeakPolarHBondContact O-CB 3.13Å; L381-F386 WeakPolarHBondContact O-CD2 3.44Å; L381-F386 PolarHBondContact O-N 2.9Å; H382-F386 PolarHBondContact ND1-O 3.02Å; L384-F386 HydrophobicContact CB-CD2 4.05Å; L384-F386 HydrophobicContact CB-CE2 4.2Å; F386-M434 HydrophobicContact CB-CE 4.04Å; F386-M434 HydrophobicContact CB-CG 4.29Å; F386-M434 HydrophobicContact CD1-CG 4.3Å; F386-K473 HydrophobicContact CD1-CD 4.49Å; F386-K473 HydrophobicContact CE1-CB 3.46Å; F386-K473 VanDerWaalsContact CE1-CB 3.46Å; F386-K473 HydrophobicContact CE1-CD 3.95Å; F386-K473 HydrophobicContact CE1-CG 4.37Å; F386-K473 HydrophobicContact CZ-CB 3.58Å; F386-A474 HydrophobicContact CE2-CB 4.38Å; F386-A474 HydrophobicContact CZ-CB 3.81Å
387	Q	88.9	Confident	91.5	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.06	C	C	.	.	P	Polyproline II helix	trans	-94.4	160.8	169	-59.1	-61.1	-9.7	0	0	109.9	V353 G385 Y417 Y422	V353-Q387 VanDerWaalsContact CG1-NE2 3.33Å; G385-Q387 PolarHBondContact O-N 2.89Å; Q387-Y417 HydrophobicContact CB-CD2 4.05Å; Q387-Y417 HydrophobicContact CB-CE2 3.79Å; Q387-Y417 HydrophobicContact CG-CD2 4.08Å; Q387-Y417 HydrophobicContact CG-CE1 4.33Å; Q387-Y417 HydrophobicContact CG-CE2 3.77Å; Q387-Y417 VanDerWaalsContact OE1-CZ 3.26Å; Q387-Y417 PolarHBondContact OE1-OH 3.46Å; Q387-Y422 HydrophobicContact CB-CD2 3.9Å; Q387-Y422 HydrophobicContact CB-CE2 3.69Å; Q387-Y422 HydrophobicContact CG-CD2 4.48Å
388	H	93.2	Very high	91.1	Very high	20 Å²	20	10.6 Å²	10.6	9%	0.093	6%	0.058	C	C	.	.	P	Polyproline II helix	trans	-62.7	140.5	176.6	-64.7	127	0	0	0	112.1	H378 H382 H390 S391 M434 Y436	H378-H388 AromaticContact CE1-CD2 3.56Å; H378-H388 AromaticContact CE1-NE2 3.5Å; H378-H388 PolarHBondContact CE1-NE2 3.37Å; H378-H388 AromaticContact NE2-CD2 3.79Å; H378-H388 AromaticContact NE2-NE2 3.24Å; H378-H388 PolarHBondContact NE2-NE2 3.39Å; H382-H388 AromaticContact CE1-CD2 3.59Å; H382-H388 AromaticContact CE1-CE1 3.64Å; H382-H388 AromaticContact CE1-NE2 3.21Å; H382-H388 PolarHBondContact CE1-NE2 3.47Å; H382-H388 AromaticContact NE2-CD2 3.67Å; H382-H388 AromaticContact NE2-CE1 3.53Å; H382-H388 AromaticContact NE2-NE2 2.92Å; H382-H388 PolarHBondContact NE2-NE2 3.4Å; H388-H390 VanDerWaalsContact C-N 3.29Å; H388-H390 WeakPolarHBondContact CB-CE1 3.38Å; H388-H390 WeakPolarHBondContact CB-ND1 3.48Å; H388-H390 AromaticContact CG-CE1 3.78Å; H388-H390 AromaticContact ND1-CE1 3.96Å; H388-H390 PolarHBondContact O-N 3.03Å; H388-S391 PolarHBondContact O-N 2.97Å; H388-S391 VanDerWaalsContact O-N 3.09Å; H388-M434 VanDerWaalsContact CA-O 3.24Å; H388-M434 WeakPolarHBondContact CA-O 3.45Å; H388-M434 WeakPolarHBondContact CB-O 3.05Å; H388-M434 PolarHBondContact CD2-O 2.84Å; H388-M434 VanDerWaalsContact CD2-O 3.27Å; H388-Y436 AromaticContact CD2-CE1 3.83Å; H388-Y436 AromaticContact CE1-CE1 3.46Å; H388-Y436 VanDerWaalsContact CE1-CE1 3.46Å; H388-Y436 WeakPolarHBondContact CE1-CE1 3.3Å; H388-Y436 AromaticContact CE1-CZ 3.73Å; H388-Y436 PolarHBondContact CE1-OH 3.39Å; H388-Y436 AromaticContact CG-CE1 3.83Å; H388-Y436 AromaticContact ND1-CE1 3.61Å; H388-Y436 AromaticContact ND1-CZ 3.67Å; H388-Y436 PolarHBondContact ND1-OH 3.11Å; H388-Y436 AromaticContact NE2-CE1 3.6Å
389	E	93.6	Very high	90.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-62.5	-35.8	-176.6	-169.8	70	-173.3	0	0	112	S391 R392 Y422 Y428 D429 M434 H435 K473	E389-S391 PolarHBondContact O-N 3.12Å; E389-R392 WeakPolarHBondContact O-CB 3.28Å; E389-R392 WeakPolarHBondContact O-CD 3.16Å; E389-R392 WeakPolarHBondContact O-CG 3.27Å; E389-R392 PolarHBondContact O-N 3.37Å; E389-R392 WeakPolarHBondContact OE1-CD 3.49Å; E389-R392 IonicContact OE1-CZ 3.52Å; E389-R392 IonicContact OE1-NE 3.61Å; E389-R392 IonicContact OE1-NH1 3.64Å; E389-R392 PolarHBondContact OE1-NH1 3.3Å; E389-Y422 PolarHBondContact OE2-OH 3.06Å; E389-Y428 HydrophobicContact CG-CE1 4.42Å; E389-Y428 HydrophobicContact CG-CE2 4.22Å; E389-Y428 WeakPolarHBondContact O-CE2 3.34Å; E389-D429 PolarHBondContact OE1-N 2.85Å; E389-M434 PolarHBondContact N-O 2.82Å; E389-M434 VanDerWaalsContact N-O 3.09Å; E389-H435 HydrophobicContact CB-CB 4.06Å; E389-K473 IonicContact OE1-NZ 3.62Å; E389-K473 IonicContact OE2-NZ 3.57Å; E389-K473 PolarHBondContact OE2-NZ 3.27Å
390	H	93.2	Very high	90.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-72.1	-11.9	178.9	75.6	-80.2	0	0	0	114	H388 R392 R395 I399 N413 Y428 Y436	H388-H390 VanDerWaalsContact C-N 3.29Å; H388-H390 WeakPolarHBondContact CB-CE1 3.38Å; H388-H390 WeakPolarHBondContact CB-ND1 3.48Å; H388-H390 AromaticContact CG-CE1 3.78Å; H388-H390 AromaticContact ND1-CE1 3.96Å; H388-H390 PolarHBondContact O-N 3.03Å; H390-R392 VanDerWaalsContact C-N 3.35Å; H390-R395 WeakPolarHBondContact O-CD 3.35Å; H390-R395 WeakPolarHBondContact O-CG 3.37Å; H390-R395 PolarHBondContact O-NH1 3.37Å; H390-I399 HydrophobicContact CB-CD1 3.75Å; H390-N413 PolarHBondContact NE2-O 3.09Å; H390-Y428 WeakPolarHBondContact CA-OH 3.37Å; H390-Y436 AromaticContact CE1-CD1 3.75Å; H390-Y436 AromaticContact CE1-CD2 3.12Å; H390-Y436 WeakPolarHBondContact CE1-CD2 3.48Å; H390-Y436 AromaticContact CE1-CE1 3.87Å; H390-Y436 AromaticContact CE1-CE2 3.2Å; H390-Y436 WeakPolarHBondContact CE1-CE2 3.25Å; H390-Y436 AromaticContact CE1-CG 3.4Å; H390-Y436 AromaticContact CE1-CZ 3.6Å; H390-Y436 AromaticContact ND1-CD1 3.94Å; H390-Y436 AromaticContact ND1-CD2 3.61Å; H390-Y436 AromaticContact ND1-CG 3.49Å; H390-Y436 AromaticContact NE2-CD2 3.44Å; H390-Y436 WeakPolarHBondContact NE2-CD2 3.44Å; H390-Y436 AromaticContact NE2-CE2 3.45Å; H390-Y436 WeakPolarHBondContact NE2-CE2 3.44Å
391	S	92.8	Very high	90.5	Very high	6 Å²	6	13.7 Å²	13.7	4%	0.042	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-93.8	7.3	175.6	-68.3	0	0	0	0	112.3	H388 E389 E415 K416 Y417	H388-S391 PolarHBondContact O-N 2.97Å; H388-S391 VanDerWaalsContact O-N 3.09Å; E389-S391 PolarHBondContact O-N 3.12Å; S391-E415 WeakPolarHBondContact CB-O 3.14Å; S391-E415 PolarHBondContact OG-O 3.49Å; S391-K416 CarbonylContact O-C 3.5Å; S391-K416 WeakPolarHBondContact O-CA 3.02Å; S391-Y417 PolarHBondContact O-N 2.98Å
392	R	90.7	Very high	90.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-57.4	147.4	171.6	-76.2	169.1	58.3	140.7	-3.6	111.7	E389 H390 D394 R395 Y422 T426 P427	E389-R392 WeakPolarHBondContact O-CB 3.28Å; E389-R392 WeakPolarHBondContact O-CD 3.16Å; E389-R392 WeakPolarHBondContact O-CG 3.27Å; E389-R392 PolarHBondContact O-N 3.37Å; E389-R392 WeakPolarHBondContact OE1-CD 3.49Å; E389-R392 IonicContact OE1-CZ 3.52Å; E389-R392 IonicContact OE1-NE 3.61Å; E389-R392 IonicContact OE1-NH1 3.64Å; E389-R392 PolarHBondContact OE1-NH1 3.3Å; H390-R392 VanDerWaalsContact C-N 3.35Å; R392-D394 WeakPolarHBondContact CB-OD1 3.45Å; R392-D394 IonicContact CZ-OD1 2.66Å; R392-D394 IonicContact CZ-OD2 3.08Å; R392-D394 IonicContact NE-OD1 3.75Å; R392-D394 PolarHBondContact NE-OD1 3.37Å; R392-D394 IonicContact NE-OD2 3.99Å; R392-D394 IonicContact NH2-OD1 2.68Å; R392-D394 PolarHBondContact NH2-OD1 3.17Å; R392-D394 IonicContact NH2-OD2 3.92Å; R392-D394 PolarHBondContact NH2-OD2 2.84Å; R392-D394 PolarHBondContact O-N 2.95Å; R392-R395 HydrophobicContact CB-CB 4.31Å; R392-R395 VanDerWaalsContact O-CB 3.29Å; R392-R395 WeakPolarHBondContact O-CB 3.41Å; R392-R395 WeakPolarHBondContact O-CG 3.25Å; R392-R395 PolarHBondContact O-N 3.17Å; R392-Y422 HydrophobicContact CB-CE2 4.4Å; R392-Y422 HydrophobicContact CG-CD1 4.43Å; R392-Y422 HydrophobicContact CG-CD2 4.02Å; R392-Y422 HydrophobicContact CG-CE1 3.97Å; R392-Y422 HydrophobicContact CG-CE2 3.5Å; R392-Y422 HydrophobicContact CG-CG 4.47Å; R392-Y422 VanDerWaalsContact CG-CZ 3.49Å; R392-T426 PolarHBondContact NH1-O 3.28Å; R392-T426 PolarHBondContact NH2-O 3.17Å; R392-P427 PolarHBondContact NH1-O 3.08Å; R392-P427 VanDerWaalsContact NH1-O 3.14Å
393	P	85.9	Confident	90.4	Very high	8 Å²	8	19.8 Å²	19.8	5%	0.052	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-30.3	178.4	27	-38	0	0	0	113	K416 Y417 W419 V424	P393-K416 PolarHBondContact O-NZ 3.46Å; P393-Y417 WeakPolarHBondContact CB-O 3.36Å; P393-W419 HydrophobicContact CB-CB 4.41Å; P393-W419 HydrophobicContact CB-CD2 3.43Å; P393-W419 VanDerWaalsContact CB-CD2 3.43Å; P393-W419 HydrophobicContact CB-CE3 3.9Å; P393-W419 HydrophobicContact CB-CG 3.64Å; P393-W419 HydrophobicContact CB-CZ2 4.14Å; P393-W419 HydrophobicContact CB-CZ3 4.42Å; P393-W419 HydrophobicContact CG-CB 4.42Å; P393-W419 HydrophobicContact CG-CD2 3.42Å; P393-W419 VanDerWaalsContact CG-CD2 3.42Å; P393-W419 HydrophobicContact CG-CE3 3.32Å; P393-W419 HydrophobicContact CG-CG 3.91Å; P393-W419 HydrophobicContact CG-CH2 4.33Å; P393-W419 HydrophobicContact CG-CZ2 4.36Å; P393-W419 HydrophobicContact CG-CZ3 3.78Å; P393-V424 HydrophobicContact CG-CG2 3.9Å
394	D	86.2	Confident	90.5	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.037	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	0.2	179.9	68.9	-17.9	0	0	0	114.4	R392 D396 T397 F398 W419	R392-D394 WeakPolarHBondContact CB-OD1 3.45Å; R392-D394 IonicContact CZ-OD1 2.66Å; R392-D394 IonicContact CZ-OD2 3.08Å; R392-D394 IonicContact NE-OD1 3.75Å; R392-D394 PolarHBondContact NE-OD1 3.37Å; R392-D394 IonicContact NE-OD2 3.99Å; R392-D394 IonicContact NH2-OD1 2.68Å; R392-D394 PolarHBondContact NH2-OD1 3.17Å; R392-D394 IonicContact NH2-OD2 3.92Å; R392-D394 PolarHBondContact NH2-OD2 2.84Å; R392-D394 PolarHBondContact O-N 2.95Å; D394-D396 PolarHBondContact O-N 3.49Å; D394-T397 WeakPolarHBondContact O-CB 3.3Å; D394-T397 PolarHBondContact O-N 2.95Å; D394-T397 PolarHBondContact O-OG1 3.1Å; D394-F398 HydrophobicContact CB-CE2 4.21Å; D394-F398 WeakPolarHBondContact O-CD2 3.46Å; D394-F398 WeakPolarHBondContact OD2-CE2 3.45Å; D394-W419 HydrophobicContact CB-CH2 3.51Å; D394-W419 HydrophobicContact CB-CZ2 4.06Å; D394-W419 HydrophobicContact CB-CZ3 4.17Å
395	R	90.9	Very high	90.7	Very high	7 Å²	7	25.7 Å²	25.7	3%	0.026	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-56.7	-29.5	-169.9	74.8	97.3	-173.5	-81.4	-1	114.5	H390 R392 T397 F398 I399 I401 F414 K416 Y428	H390-R395 WeakPolarHBondContact O-CD 3.35Å; H390-R395 WeakPolarHBondContact O-CG 3.37Å; H390-R395 PolarHBondContact O-NH1 3.37Å; R392-R395 HydrophobicContact CB-CB 4.31Å; R392-R395 VanDerWaalsContact O-CB 3.29Å; R392-R395 WeakPolarHBondContact O-CB 3.41Å; R392-R395 WeakPolarHBondContact O-CG 3.25Å; R392-R395 PolarHBondContact O-N 3.17Å; R395-T397 PolarHBondContact O-N 2.92Å; R395-T397 VanDerWaalsContact O-N 3.1Å; R395-F398 PolarHBondContact O-N 3.32Å; R395-I399 HydrophobicContact CB-CD1 4.3Å; R395-I399 HydrophobicContact CB-CG1 4.13Å; R395-I399 VanDerWaalsContact O-CG1 3.3Å; R395-I399 WeakPolarHBondContact O-CG1 3.4Å; R395-I399 PolarHBondContact O-N 2.82Å; R395-I401 VanDerWaalsContact NH2-CG1 3.26Å; R395-F414 PolarHBondContact NH1-O 3.35Å; R395-F414 PolarHBondContact NH2-O 3.48Å; R395-K416 HydrophobicContact CG-CD 3.68Å; R395-K416 HydrophobicContact CG-CG 3.88Å; R395-Y428 HydrophobicContact CB-CE2 3.83Å
396	D	89.8	Confident	91	Very high	74 Å²	74	25.7 Å²	25.7	40%	0.396	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-67.5	-9.2	-179.7	-63.4	-33.1	0	0	0	113.2	D394 K416	D394-D396 PolarHBondContact O-N 3.49Å; D396-K416 WeakPolarHBondContact OD2-CE 3.42Å; D396-K416 IonicContact OD2-NZ 3Å; D396-K416 PolarHBondContact OD2-NZ 3.36Å
397	T	84.8	Confident	91.1	Very high	38 Å²	38	31.8 Å²	31.8	23%	0.233	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-82	-17.5	170.6	-49.4	0	0	0	0	112.1	F154 D394 R395 F453	F154-T397 HydrophobicContact CB-CG2 3.64Å; F154-T397 HydrophobicContact CD1-CG2 4.12Å; F154-T397 HydrophobicContact CG-CG2 3.91Å; D394-T397 WeakPolarHBondContact O-CB 3.3Å; D394-T397 PolarHBondContact O-N 2.95Å; D394-T397 PolarHBondContact O-OG1 3.1Å; R395-T397 PolarHBondContact O-N 2.92Å; R395-T397 VanDerWaalsContact O-N 3.1Å; T397-F453 WeakPolarHBondContact O-CD2 3.33Å
398	F	87.5	Confident	91.1	Very high	8 Å²	8	39 Å²	39	4%	0.035	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-35.6	-169.6	-57.4	-79.7	0	0	0	112.8	F154 D394 R395 Y428 Y430 F453	F154-F398 HydrophobicContact CD1-CE1 4.25Å; F154-F398 HydrophobicContact CD2-CE1 4.21Å; F154-F398 HydrophobicContact CD2-CZ 4.01Å; F154-F398 HydrophobicContact CE1-CD1 4.4Å; F154-F398 AromaticContact CE1-CE1 3.68Å; F154-F398 HydrophobicContact CE1-CE1 3.68Å; F154-F398 HydrophobicContact CE1-CZ 4.41Å; F154-F398 AromaticContact CE2-CE1 3.65Å; F154-F398 HydrophobicContact CE2-CE1 3.65Å; F154-F398 AromaticContact CE2-CZ 3.72Å; F154-F398 HydrophobicContact CE2-CZ 3.72Å; F154-F398 HydrophobicContact CZ-CD1 4.42Å; F154-F398 AromaticContact CZ-CE1 3.38Å; F154-F398 HydrophobicContact CZ-CE1 3.38Å; F154-F398 AromaticContact CZ-CZ 3.97Å; F154-F398 HydrophobicContact CZ-CZ 3.97Å; D394-F398 HydrophobicContact CB-CE2 4.21Å; D394-F398 WeakPolarHBondContact O-CD2 3.46Å; D394-F398 WeakPolarHBondContact OD2-CE2 3.45Å; R395-F398 PolarHBondContact O-N 3.32Å; F398-Y428 HydrophobicContact CB-CD1 3.67Å; F398-Y428 HydrophobicContact CB-CD2 3.99Å; F398-Y428 HydrophobicContact CB-CE1 3.93Å; F398-Y428 HydrophobicContact CB-CE2 4.22Å; F398-Y428 HydrophobicContact CB-CG 3.71Å; F398-Y428 VanDerWaalsContact CD1-CB 3.47Å; F398-Y428 HydrophobicContact CD1-CD1 4.25Å; F398-Y428 AromaticContact CD1-CG 3.85Å; F398-Y428 HydrophobicContact CD1-CG 3.85Å; F398-Y428 HydrophobicContact CD2-CD1 4.43Å; F398-Y428 AromaticContact CD2-CD2 3.43Å; F398-Y428 HydrophobicContact CD2-CD2 3.43Å; F398-Y428 VanDerWaalsContact CD2-CD2 3.43Å; F398-Y428 HydrophobicContact CD2-CE2 4.18Å; F398-Y428 AromaticContact CD2-CG 3.59Å; F398-Y428 HydrophobicContact CD2-CG 3.59Å; F398-Y428 HydrophobicContact CE1-CG 4.36Å; F398-Y428 HydrophobicContact CE2-CD2 4.04Å; F398-Y428 HydrophobicContact CE2-CG 4.16Å; F398-Y428 AromaticContact CG-CD1 3.87Å; F398-Y428 HydrophobicContact CG-CD1 3.87Å; F398-Y428 AromaticContact CG-CD2 3.73Å; F398-Y428 HydrophobicContact CG-CD2 3.73Å; F398-Y428 HydrophobicContact CG-CE2 4.42Å; F398-Y428 AromaticContact CG-CG 3.42Å; F398-Y428 HydrophobicContact CG-CG 3.42Å; F398-Y428 VanDerWaalsContact CG-CG 3.42Å; F398-Y430 HydrophobicContact CB-CE1 4.41Å; F398-Y430 WeakPolarHBondContact CB-OH 3.42Å; F398-Y430 PolarHBondContact O-OH 3.08Å; F398-F453 VanDerWaalsContact O-CD2 3.3Å; F398-F453 WeakPolarHBondContact O-CD2 3.26Å; F398-F453 PolarHBondContact O-N 2.81Å; F398-F453 VanDerWaalsContact O-N 3.17Å
399	I	91.1	Very high	90.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	157.1	-175.9	58.5	162.7	0	0	0	112.2	H390 R395 I401 Y428 Y430 L450 T451 T452 M460	H390-I399 HydrophobicContact CB-CD1 3.75Å; R395-I399 HydrophobicContact CB-CD1 4.3Å; R395-I399 HydrophobicContact CB-CG1 4.13Å; R395-I399 VanDerWaalsContact O-CG1 3.3Å; R395-I399 WeakPolarHBondContact O-CG1 3.4Å; R395-I399 PolarHBondContact O-N 2.82Å; I399-I401 HydrophobicContact CD1-CD1 4.05Å; I399-Y428 WeakPolarHBondContact CD1-OH 3.5Å; I399-Y428 HydrophobicContact CG2-CE1 4.16Å; I399-Y430 HydrophobicContact CG2-CD1 4.38Å; I399-Y430 HydrophobicContact CG2-CE1 3.84Å; I399-L450 HydrophobicContact CD1-CD2 4.02Å; I399-T451 CarbonylContact C-O 3.59Å; I399-T451 WeakPolarHBondContact CA-O 3.28Å; I399-T452 HydrophobicContact CG2-CG2 4.05Å; I399-M460 HydrophobicContact CG2-SD 4.23Å
400	I	91.2	Very high	90.6	Very high	72 Å²	72	44.3 Å²	44.3	37%	0.369	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.7	169.8	-62.1	166.4	0	0	0	108.2	L450 T451 F453	I400-L450 WeakPolarHBondContact O-CA 3.45Å; I400-T451 PolarHBondContact N-O 3.26Å; I400-T451 PolarHBondContact O-N 2.98Å; I400-F453 HydrophobicContact CD1-CD1 4.38Å; I400-F453 HydrophobicContact CD1-CE1 3.48Å; I400-F453 VanDerWaalsContact CD1-CE1 3.48Å; I400-F453 HydrophobicContact CD1-CZ 3.66Å; I400-F453 HydrophobicContact CG1-CE1 3.79Å; I400-F453 HydrophobicContact CG1-CE2 4.11Å; I400-F453 HydrophobicContact CG1-CZ 3.39Å
401	I	92.4	Very high	90.4	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.056	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	117.9	166.2	-45.4	-53.1	0	0	0	108.4	R395 I399 W403 V406 F414 T449 L450	R395-I401 VanDerWaalsContact NH2-CG1 3.26Å; I399-I401 HydrophobicContact CD1-CD1 4.05Å; I401-W403 VanDerWaalsContact C-N 3.32Å; I401-W403 HydrophobicContact CB-CD2 4.3Å; I401-W403 HydrophobicContact CB-CZ2 4.17Å; I401-W403 HydrophobicContact CG1-CZ2 4.32Å; I401-W403 HydrophobicContact CG2-CD2 3.78Å; I401-W403 HydrophobicContact CG2-CE3 4.06Å; I401-W403 HydrophobicContact CG2-CG 4.23Å; I401-W403 HydrophobicContact CG2-CH2 4.36Å; I401-W403 HydrophobicContact CG2-CZ2 4.08Å; I401-W403 HydrophobicContact CG2-CZ3 4.34Å; I401-W403 VanDerWaalsContact O-CD1 3.3Å; I401-W403 PolarHBondContact O-N 2.93Å; I401-W403 VanDerWaalsContact O-N 3.1Å; I401-V406 HydrophobicContact CG2-CG2 4.17Å; I401-F414 HydrophobicContact CD1-CD1 4.08Å; I401-F414 HydrophobicContact CG2-CB 4.09Å; I401-F414 HydrophobicContact CG2-CD1 3.94Å; I401-F414 HydrophobicContact CG2-CG 4.1Å; I401-T449 WeakPolarHBondContact CA-O 3.26Å; I401-L450 HydrophobicContact CD1-CD2 3.13Å
402	N	93.7	Very high	90.1	Very high	24 Å²	24	52.2 Å²	52.2	13%	0.128	25%	0.253	C	S	.	.			trans	-84.8	78.3	174.8	-52.5	-50.6	0	0	0	108.5	E404 N405 V406 R448 T449 T451	N402-E404 VanDerWaalsContact C-OE2 3.22Å; N402-E404 PolarHBondContact O-N 3.18Å; N402-E404 VanDerWaalsContact O-N 3.13Å; N402-N405 HydrophobicContact CB-CB 4.29Å; N402-N405 WeakPolarHBondContact O-CA 3.46Å; N402-N405 WeakPolarHBondContact O-CB 3.14Å; N402-N405 PolarHBondContact O-N 2.88Å; N402-V406 PolarHBondContact O-N 3.06Å; N402-R448 WeakPolarHBondContact CB-O 3.44Å; N402-R448 PolarHBondContact ND2-O 3.13Å; N402-T449 PolarHBondContact N-O 3.37Å; N402-T451 PolarHBondContact ND2-OG1 3Å; N402-T451 PolarHBondContact OD1-OG1 3.24Å
403	W	93.2	Very high	89.9	Confident	114 Å²	114	54.6 Å²	54.6	43%	0.432	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-54.5	-32.3	-172.5	-66.5	102.7	0	0	0	113.7	I401 N405 V406 A411 F414	I401-W403 VanDerWaalsContact C-N 3.32Å; I401-W403 HydrophobicContact CB-CD2 4.3Å; I401-W403 HydrophobicContact CB-CZ2 4.17Å; I401-W403 HydrophobicContact CG1-CZ2 4.32Å; I401-W403 HydrophobicContact CG2-CD2 3.78Å; I401-W403 HydrophobicContact CG2-CE3 4.06Å; I401-W403 HydrophobicContact CG2-CG 4.23Å; I401-W403 HydrophobicContact CG2-CH2 4.36Å; I401-W403 HydrophobicContact CG2-CZ2 4.08Å; I401-W403 HydrophobicContact CG2-CZ3 4.34Å; I401-W403 VanDerWaalsContact O-CD1 3.3Å; I401-W403 PolarHBondContact O-N 2.93Å; I401-W403 VanDerWaalsContact O-N 3.1Å; W403-N405 PolarHBondContact O-N 3.06Å; W403-V406 PolarHBondContact O-N 3.38Å; W403-V406 VanDerWaalsContact O-N 3.14Å; W403-A411 HydrophobicContact CZ3-CB 4.16Å; W403-F414 HydrophobicContact CH2-CB 3.84Å; W403-F414 HydrophobicContact CZ3-CB 3.95Å
404	E	94.2	Very high	90.2	Very high	126 Å²	126	54.2 Å²	54.2	59%	0.589	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-64.9	-21.3	176	73.8	-74.5	178.4	0	0	113.8	N402	N402-E404 VanDerWaalsContact C-OE2 3.22Å; N402-E404 PolarHBondContact O-N 3.18Å; N402-E404 VanDerWaalsContact O-N 3.13Å
405	N	95	Very high	90.4	Very high	14 Å²	14	59.2 Å²	59.2	8%	0.075	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-95.6	-9.9	176.6	-62.4	-34.3	0	0	0	112.5	N402 W403 N442 K443 R447 R448 T449	N402-N405 HydrophobicContact CB-CB 4.29Å; N402-N405 WeakPolarHBondContact O-CA 3.46Å; N402-N405 WeakPolarHBondContact O-CB 3.14Å; N402-N405 PolarHBondContact O-N 2.88Å; W403-N405 PolarHBondContact O-N 3.06Å; N405-N442 CarbonylContact O-C 3.38Å; N405-N442 VanDerWaalsContact O-CA 3.3Å; N405-N442 WeakPolarHBondContact O-CA 3.33Å; N405-K443 WeakPolarHBondContact O-CB 3.18Å; N405-K443 PolarHBondContact O-N 3.24Å; N405-R447 HydrophobicContact CB-CB 4.21Å; N405-R447 VanDerWaalsContact OD1-CD 3.26Å; N405-R447 WeakPolarHBondContact OD1-CD 3.47Å; N405-R448 PolarHBondContact ND2-O 2.96Å; N405-T449 HydrophobicContact CB-CG2 4.19Å; N405-T449 WeakPolarHBondContact O-CG2 3.47Å
406	V	92.9	Very high	90.3	Very high	7 Å²	7	62.9 Å²	62.9	4%	0.042	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-82.3	139.8	-179.2	177.9	0	0	0	0	110.3	I401 N402 W403 E408 A410 F414 T449	I401-V406 HydrophobicContact CG2-CG2 4.17Å; N402-V406 PolarHBondContact O-N 3.06Å; W403-V406 PolarHBondContact O-N 3.38Å; W403-V406 VanDerWaalsContact O-N 3.14Å; V406-E408 PolarHBondContact O-N 3.07Å; V406-A410 HydrophobicContact CG1-CB 4.47Å; V406-F414 HydrophobicContact CB-CE2 4.42Å; V406-F414 HydrophobicContact CG1-CD2 3.72Å; V406-F414 HydrophobicContact CG1-CE2 3.52Å; V406-F414 HydrophobicContact CG1-CZ 4.41Å; V406-F414 HydrophobicContact CG2-CD2 4.18Å; V406-F414 HydrophobicContact CG2-CE2 3.95Å; V406-F414 HydrophobicContact CG2-CZ 4.14Å; V406-T449 HydrophobicContact CB-CG2 4.5Å; V406-T449 HydrophobicContact CG2-CG2 3.78Å
407	R	91.1	Very high	90	Very high	131 Å²	131	61.4 Å²	61.4	49%	0.494	29%	0.292	S	S	.	.			trans	-62.3	134.9	170.8	-68.8	174.7	-172.6	-172.9	-1.7	110	N409 A410 A411 F441 N442 K443	R407-N409 VanDerWaalsContact C-N 3.26Å; R407-N409 WeakPolarHBondContact CB-OD1 3.47Å; R407-N409 PolarHBondContact O-N 3.34Å; R407-A410 HydrophobicContact CB-CB 4.08Å; R407-A410 WeakPolarHBondContact O-CA 3.2Å; R407-A410 PolarHBondContact O-N 3.12Å; R407-A411 PolarHBondContact O-N 3.33Å; R407-F441 WeakPolarHBondContact CG-O 3.36Å; R407-F441 PolarHBondContact N-O 3.07Å; R407-N442 WeakPolarHBondContact CG-O 3.4Å; R407-N442 PolarHBondContact NE-O 3.33Å; R407-K443 HydrophobicContact CG-CB 4.31Å
408	E	89.2	Confident	89.6	Confident	151 Å²	151	62.7 Å²	62.7	71%	0.706	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-56.1	-39.4	-175.4	-73.7	156.5	-144.7	0	0	112.8	V406 A410 K443	V406-E408 PolarHBondContact O-N 3.07Å; E408-A410 PolarHBondContact O-N 2.88Å; E408-K443 IonicContact OE1-NZ 2.73Å; E408-K443 PolarHBondContact OE1-NZ 3.33Å
409	N	88.9	Confident	88.9	Confident	128 Å²	128	64.2 Å²	64.2	68%	0.684	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-77.4	-0.7	177.5	70.2	-26.8	0	0	0	114.7	R407	R407-N409 VanDerWaalsContact C-N 3.26Å; R407-N409 WeakPolarHBondContact CB-OD1 3.47Å; R407-N409 PolarHBondContact O-N 3.34Å
410	A	88.8	Confident	87.8	Confident	4 Å²	4	65.1 Å²	65.1	3%	0.033	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-116.5	-0.6	-179.4	0	0	0	0	0	113.1	V406 R407 E408 Q412 N413 F414 F441	V406-A410 HydrophobicContact CG1-CB 4.47Å; R407-A410 HydrophobicContact CB-CB 4.08Å; R407-A410 WeakPolarHBondContact O-CA 3.2Å; R407-A410 PolarHBondContact O-N 3.12Å; E408-A410 PolarHBondContact O-N 2.88Å; A410-Q412 PolarHBondContact O-N 3.38Å; A410-N413 VanDerWaalsContact O-CB 3.31Å; A410-N413 WeakPolarHBondContact O-CB 3.48Å; A410-N413 PolarHBondContact O-N 3.4Å; A410-F414 WeakPolarHBondContact O-CD2 3.46Å; A410-F441 HydrophobicContact CB-CB 3.69Å; A410-F441 HydrophobicContact CB-CD1 3.59Å; A410-F441 HydrophobicContact CB-CE1 4.46Å; A410-F441 HydrophobicContact CB-CG 3.79Å
411	A	88.6	Confident	86.8	Confident	32 Å²	32	63.6 Å²	63.6	26%	0.264	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-54.3	-40.5	-178.3	0	0	0	0	0	112.2	W403 R407 N413 F414	W403-A411 HydrophobicContact CZ3-CB 4.16Å; R407-A411 PolarHBondContact O-N 3.33Å; A411-N413 PolarHBondContact O-N 2.71Å; A411-N413 VanDerWaalsContact O-N 3.11Å; A411-F414 PolarHBondContact O-N 3.33Å
412	Q	85.2	Confident	86	Confident	141 Å²	141	63.7 Å²	63.7	66%	0.659	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-56.7	-26	176.5	68.7	-154.2	27.4	0	0	114.3	A410 F414 E415	A410-Q412 PolarHBondContact O-N 3.38Å; Q412-F414 PolarHBondContact O-N 3.3Å; Q412-E415 WeakPolarHBondContact O-CB 3.06Å; Q412-E415 WeakPolarHBondContact O-CG 3.43Å; Q412-E415 PolarHBondContact O-N 3Å
413	N	87.6	Confident	84.6	Confident	50 Å²	50	63.2 Å²	63.2	27%	0.267	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-74.5	-10.6	179.4	-60	-13.1	0	0	0	112.7	H390 A410 A411 Y436 F441	H390-N413 PolarHBondContact NE2-O 3.09Å; A410-N413 VanDerWaalsContact O-CB 3.31Å; A410-N413 WeakPolarHBondContact O-CB 3.48Å; A410-N413 PolarHBondContact O-N 3.4Å; A411-N413 PolarHBondContact O-N 2.71Å; A411-N413 VanDerWaalsContact O-N 3.11Å; N413-Y436 HydrophobicContact CB-CE2 4.27Å; N413-F441 HydrophobicContact CB-CE2 4.36Å; N413-F441 WeakPolarHBondContact ND2-CE1 3.31Å; N413-F441 VanDerWaalsContact ND2-CZ 3.35Å; N413-F441 WeakPolarHBondContact ND2-CZ 3.43Å
414	F	92.2	Very high	83.6	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-105	4.9	177.9	-64.2	-92.2	0	0	0	112.5	R395 I401 W403 V406 A410 A411 Q412 Y436 S440 F441 L450	R395-F414 PolarHBondContact NH1-O 3.35Å; R395-F414 PolarHBondContact NH2-O 3.48Å; I401-F414 HydrophobicContact CD1-CD1 4.08Å; I401-F414 HydrophobicContact CG2-CB 4.09Å; I401-F414 HydrophobicContact CG2-CD1 3.94Å; I401-F414 HydrophobicContact CG2-CG 4.1Å; W403-F414 HydrophobicContact CH2-CB 3.84Å; W403-F414 HydrophobicContact CZ3-CB 3.95Å; V406-F414 HydrophobicContact CB-CE2 4.42Å; V406-F414 HydrophobicContact CG1-CD2 3.72Å; V406-F414 HydrophobicContact CG1-CE2 3.52Å; V406-F414 HydrophobicContact CG1-CZ 4.41Å; V406-F414 HydrophobicContact CG2-CD2 4.18Å; V406-F414 HydrophobicContact CG2-CE2 3.95Å; V406-F414 HydrophobicContact CG2-CZ 4.14Å; A410-F414 WeakPolarHBondContact O-CD2 3.46Å; A411-F414 PolarHBondContact O-N 3.33Å; Q412-F414 PolarHBondContact O-N 3.3Å; F414-Y436 HydrophobicContact CE1-CD2 4.24Å; F414-Y436 HydrophobicContact CZ-CD2 4.43Å; F414-S440 WeakPolarHBondContact CZ-O 3.44Å; F414-F441 HydrophobicContact CE2-CB 3.83Å; F414-F441 AromaticContact CE2-CD2 3.94Å; F414-F441 HydrophobicContact CE2-CD2 3.94Å; F414-F441 HydrophobicContact CE2-CG 4.2Å; F414-F441 HydrophobicContact CZ-CB 4.05Å; F414-F441 AromaticContact CZ-CD2 3.95Å; F414-F441 HydrophobicContact CZ-CD2 3.95Å; F414-F441 HydrophobicContact CZ-CG 4.45Å; F414-L450 HydrophobicContact CD1-CD2 3.99Å; F414-L450 HydrophobicContact CE1-CD1 4.47Å; F414-L450 HydrophobicContact CE1-CD2 3.9Å; F414-L450 HydrophobicContact CE1-CG 4.14Å
415	E	89.8	Confident	82.8	Confident	112 Å²	112	54.4 Å²	54.4	52%	0.523	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-65.8	149	175.1	-66.7	-62.9	164.7	0	0	111.1	S391 Q412	S391-E415 WeakPolarHBondContact CB-O 3.14Å; S391-E415 PolarHBondContact OG-O 3.49Å; Q412-E415 WeakPolarHBondContact O-CB 3.06Å; Q412-E415 WeakPolarHBondContact O-CG 3.43Å; Q412-E415 PolarHBondContact O-N 3Å
416	K	89.2	Confident	82.1	Confident	83 Å²	83	54.1 Å²	54.1	36%	0.361	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-87.1	142.6	176.2	-60.4	-172.7	-59.4	-179.7	0	109.5	S391 P393 R395 D396	S391-K416 CarbonylContact O-C 3.5Å; S391-K416 WeakPolarHBondContact O-CA 3.02Å; P393-K416 PolarHBondContact O-NZ 3.46Å; R395-K416 HydrophobicContact CG-CD 3.68Å; R395-K416 HydrophobicContact CG-CG 3.88Å; D396-K416 WeakPolarHBondContact OD2-CE 3.42Å; D396-K416 IonicContact OD2-NZ 3Å; D396-K416 PolarHBondContact OD2-NZ 3.36Å
417	Y	84	Confident	81.7	Confident	44 Å²	44	55.3 Å²	55.3	17%	0.173	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-70.5	145.5	163	-75.7	-84.1	0	0	0	109.6	R280 Q387 S391 P393 L421 Y422	R280-Y417 HydrophobicContact CB-CE1 4.06Å; R280-Y417 WeakPolarHBondContact CD-OH 3.31Å; Q387-Y417 HydrophobicContact CB-CD2 4.05Å; Q387-Y417 HydrophobicContact CB-CE2 3.79Å; Q387-Y417 HydrophobicContact CG-CD2 4.08Å; Q387-Y417 HydrophobicContact CG-CE1 4.33Å; Q387-Y417 HydrophobicContact CG-CE2 3.77Å; Q387-Y417 VanDerWaalsContact OE1-CZ 3.26Å; Q387-Y417 PolarHBondContact OE1-OH 3.46Å; S391-Y417 PolarHBondContact O-N 2.98Å; P393-Y417 WeakPolarHBondContact CB-O 3.36Å; Y417-L421 HydrophobicContact CD1-CB 4.23Å; Y417-Y422 HydrophobicContact CD2-CD2 4.24Å
418	P	76	Confident	81.6	Confident	64 Å²	64	49.8 Å²	49.8	42%	0.416	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-63.9	153.7	166.9	30.6	-36.2	0	0	0	109.8	T420 L421 Y422	P418-T420 PolarHBondContact O-N 2.82Å; P418-T420 VanDerWaalsContact O-N 3.14Å; P418-L421 HydrophobicContact CG-CB 3.96Å; P418-L421 HydrophobicContact CG-CD1 3.74Å; P418-L421 HydrophobicContact CG-CG 3.68Å; P418-L421 PolarHBondContact O-N 3.11Å; P418-Y422 PolarHBondContact O-N 2.83Å
419	W	73	Confident	81.6	Confident	40 Å²	40	43.5 Å²	43.5	15%	0.152	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.7	-178	-67	91.8	0	0	0	114.3	V181 T182 P184 P393 D394 L421 Y422 V424	V181-W419 HydrophobicContact CB-CZ3 4.31Å; V181-W419 HydrophobicContact CG1-CE3 4.1Å; V181-W419 HydrophobicContact CG1-CH2 3.86Å; V181-W419 HydrophobicContact CG1-CZ3 3.36Å; T182-W419 WeakPolarHBondContact O-CB 3.23Å; P184-W419 HydrophobicContact CB-CZ2 4.25Å; P184-W419 VanDerWaalsContact CD-NE1 3.34Å; P184-W419 HydrophobicContact CG-CZ2 4.22Å; P184-W419 VanDerWaalsContact CG-NE1 3.35Å; P393-W419 HydrophobicContact CB-CB 4.41Å; P393-W419 HydrophobicContact CB-CD2 3.43Å; P393-W419 VanDerWaalsContact CB-CD2 3.43Å; P393-W419 HydrophobicContact CB-CE3 3.9Å; P393-W419 HydrophobicContact CB-CG 3.64Å; P393-W419 HydrophobicContact CB-CZ2 4.14Å; P393-W419 HydrophobicContact CB-CZ3 4.42Å; P393-W419 HydrophobicContact CG-CB 4.42Å; P393-W419 HydrophobicContact CG-CD2 3.42Å; P393-W419 VanDerWaalsContact CG-CD2 3.42Å; P393-W419 HydrophobicContact CG-CE3 3.32Å; P393-W419 HydrophobicContact CG-CG 3.91Å; P393-W419 HydrophobicContact CG-CH2 4.33Å; P393-W419 HydrophobicContact CG-CZ2 4.36Å; P393-W419 HydrophobicContact CG-CZ3 3.78Å; D394-W419 HydrophobicContact CB-CH2 3.51Å; D394-W419 HydrophobicContact CB-CZ2 4.06Å; D394-W419 HydrophobicContact CB-CZ3 4.17Å; W419-L421 VanDerWaalsContact C-N 3.34Å; W419-Y422 CarbonylContact O-C 3.39Å; W419-Y422 VanDerWaalsContact O-C 3.27Å; W419-Y422 PolarHBondContact O-N 3.49Å; W419-V424 HydrophobicContact CE3-CG2 4.14Å; W419-V424 HydrophobicContact CZ3-CB 4.1Å; W419-V424 HydrophobicContact CZ3-CG2 3.7Å
420	T	66.7	Low	81.8	Confident	20 Å²	20	38.5 Å²	38.5	12%	0.123	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-43.6	174.7	60.5	0	0	0	0	111.3	L231 L285 P418 P423	L231-T420 HydrophobicContact CD1-CG2 3.88Å; L231-T420 HydrophobicContact CD2-CG2 3.22Å; L231-T420 HydrophobicContact CG-CG2 4.18Å; L285-T420 WeakPolarHBondContact CB-O 3.41Å; L285-T420 WeakPolarHBondContact CD1-O 3.47Å; L285-T420 VanDerWaalsContact CG-O 3.22Å; L285-T420 WeakPolarHBondContact CG-O 3.25Å; P418-T420 PolarHBondContact O-N 2.82Å; P418-T420 VanDerWaalsContact O-N 3.14Å; T420-P423 WeakPolarHBondContact O-CD 3.42Å
421	L	70.4	Confident	81.9	Confident	40 Å²	40	38.8 Å²	38.8	21%	0.209	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-18.3	-177.4	-58.4	-174.4	0	0	0	112.1	P281 G282 Y417 P418 W419	P281-L421 HydrophobicContact CB-CD2 3.91Å; G282-L421 CarbonylContact C-O 3.5Å; G282-L421 WeakPolarHBondContact CA-O 3.18Å; G282-L421 PolarHBondContact N-O 3.48Å; Y417-L421 HydrophobicContact CD1-CB 4.23Å; P418-L421 HydrophobicContact CG-CB 3.96Å; P418-L421 HydrophobicContact CG-CD1 3.74Å; P418-L421 HydrophobicContact CG-CG 3.68Å; P418-L421 PolarHBondContact O-N 3.11Å; W419-L421 VanDerWaalsContact C-N 3.34Å
422	Y	75.8	Confident	82.2	Confident	13 Å²	13	37.2 Å²	37.2	5%	0.051	19%	0.187	C	C	.	.	S	Bend	trans	-135.3	73.9	175.5	-160.3	-18.7	0	0	0	111.7	Q387 E389 R392 Y417 P418 W419 V424 K473	Q387-Y422 HydrophobicContact CB-CD2 3.9Å; Q387-Y422 HydrophobicContact CB-CE2 3.69Å; Q387-Y422 HydrophobicContact CG-CD2 4.48Å; E389-Y422 PolarHBondContact OE2-OH 3.06Å; R392-Y422 HydrophobicContact CB-CE2 4.4Å; R392-Y422 HydrophobicContact CG-CD1 4.43Å; R392-Y422 HydrophobicContact CG-CD2 4.02Å; R392-Y422 HydrophobicContact CG-CE1 3.97Å; R392-Y422 HydrophobicContact CG-CE2 3.5Å; R392-Y422 HydrophobicContact CG-CG 4.47Å; R392-Y422 VanDerWaalsContact CG-CZ 3.49Å; Y417-Y422 HydrophobicContact CD2-CD2 4.24Å; P418-Y422 PolarHBondContact O-N 2.83Å; W419-Y422 CarbonylContact O-C 3.39Å; W419-Y422 VanDerWaalsContact O-C 3.27Å; W419-Y422 PolarHBondContact O-N 3.49Å; Y422-V424 PolarHBondContact O-N 3.2Å; Y422-K473 PolarHBondContact OH-NZ 3.04Å
423	P	65	Low	82.7	Confident	13 Å²	13	30.5 Å²	30.5	8%	0.084	16%	0.156	C	C	.	.			trans	-57.3	126.4	170.8	-25.5	35.4	0	0	0	111	T182 A284 L285 T420 N425	T182-P423 HydrophobicContact CG2-CB 4.38Å; A284-P423 HydrophobicContact CB-CB 3.9Å; A284-P423 HydrophobicContact CB-CG 3.54Å; L285-P423 HydrophobicContact CG-CG 4.32Å; T420-P423 WeakPolarHBondContact O-CD 3.42Å; P423-N425 PolarHBondContact O-N 3.18Å
424	V	72.7	Confident	83	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.006	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-90.3	103.7	-175.8	175.1	0	0	0	0	109.3	W176 V181 P393 W419 Y422 T426	W176-V424 HydrophobicContact CE3-CG1 4.03Å; W176-V424 HydrophobicContact CH2-CG1 4.12Å; W176-V424 HydrophobicContact CZ3-CG1 3.42Å; W176-V424 VanDerWaalsContact CZ3-CG1 3.42Å; V181-V424 HydrophobicContact CB-CB 4.07Å; V181-V424 WeakPolarHBondContact CB-O 3.5Å; V181-V424 PolarHBondContact N-O 3Å; V181-V424 PolarHBondContact O-N 3.11Å; P393-V424 HydrophobicContact CG-CG2 3.9Å; W419-V424 HydrophobicContact CE3-CG2 4.14Å; W419-V424 HydrophobicContact CZ3-CB 4.1Å; W419-V424 HydrophobicContact CZ3-CG2 3.7Å; Y422-V424 PolarHBondContact O-N 3.2Å; V424-T426 WeakPolarHBondContact CG1-O 3.39Å
425	N	76	Confident	83.2	Confident	55 Å²	55	28.2 Å²	28.2	29%	0.294	14%	0.143	S	C	.	.			trans	-115.4	16.7	179.8	65.2	-0.3	0	0	0	113	W176 P423	W176-N425 VanDerWaalsContact CB-C 3.44Å; W176-N425 WeakPolarHBondContact CB-O 3.22Å; P423-N425 PolarHBondContact O-N 3.18Å
426	T	81	Confident	83.4	Confident	7 Å²	7	24.1 Å²	24.1	4%	0.043	12%	0.123	C	C	.	.	S	Bend	trans	-150.9	155.5	178.4	49	0	0	0	0	111	R392 V424 W469 K473	R392-T426 PolarHBondContact NH1-O 3.28Å; R392-T426 PolarHBondContact NH2-O 3.17Å; V424-T426 WeakPolarHBondContact CG1-O 3.39Å; T426-W469 HydrophobicContact CG2-CE3 3.75Å; T426-W469 HydrophobicContact CG2-CZ3 4.24Å; T426-K473 HydrophobicContact CG2-CG 3.73Å; T426-K473 WeakPolarHBondContact OG1-CE 3Å
427	P	83.7	Confident	83.5	Confident	33 Å²	33	22 Å²	22	21%	0.214	12%	0.118	C	C	.	.			trans	-55.2	154.6	167.9	-19.8	30.7	0	0	0	111.8	W176 R392 D429 W469	W176-P427 HydrophobicContact CZ2-CB 4.3Å; W176-P427 HydrophobicContact CZ2-CG 4.33Å; R392-P427 PolarHBondContact NH1-O 3.08Å; R392-P427 VanDerWaalsContact NH1-O 3.14Å; P427-D429 PolarHBondContact O-N 3.02Å; P427-W469 HydrophobicContact CG-CD2 4.43Å; P427-W469 HydrophobicContact CG-CH2 3.85Å; P427-W469 HydrophobicContact CG-CZ2 3.54Å; P427-W469 HydrophobicContact CG-CZ3 4.4Å
428	Y	88.8	Confident	83.9	Confident	15 Å²	15	20.5 Å²	20.5	6%	0.059	11%	0.113	C	C	.	.			trans	-64	122.8	172.8	-166.4	-86.8	0	0	0	110.8	E389 H390 R395 F398 I399 Y430 H435	E389-Y428 HydrophobicContact CG-CE1 4.42Å; E389-Y428 HydrophobicContact CG-CE2 4.22Å; E389-Y428 WeakPolarHBondContact O-CE2 3.34Å; H390-Y428 WeakPolarHBondContact CA-OH 3.37Å; R395-Y428 HydrophobicContact CB-CE2 3.83Å; F398-Y428 HydrophobicContact CB-CD1 3.67Å; F398-Y428 HydrophobicContact CB-CD2 3.99Å; F398-Y428 HydrophobicContact CB-CE1 3.93Å; F398-Y428 HydrophobicContact CB-CE2 4.22Å; F398-Y428 HydrophobicContact CB-CG 3.71Å; F398-Y428 VanDerWaalsContact CD1-CB 3.47Å; F398-Y428 HydrophobicContact CD1-CD1 4.25Å; F398-Y428 AromaticContact CD1-CG 3.85Å; F398-Y428 HydrophobicContact CD1-CG 3.85Å; F398-Y428 HydrophobicContact CD2-CD1 4.43Å; F398-Y428 AromaticContact CD2-CD2 3.43Å; F398-Y428 HydrophobicContact CD2-CD2 3.43Å; F398-Y428 VanDerWaalsContact CD2-CD2 3.43Å; F398-Y428 HydrophobicContact CD2-CE2 4.18Å; F398-Y428 AromaticContact CD2-CG 3.59Å; F398-Y428 HydrophobicContact CD2-CG 3.59Å; F398-Y428 HydrophobicContact CE1-CG 4.36Å; F398-Y428 HydrophobicContact CE2-CD2 4.04Å; F398-Y428 HydrophobicContact CE2-CG 4.16Å; F398-Y428 AromaticContact CG-CD1 3.87Å; F398-Y428 HydrophobicContact CG-CD1 3.87Å; F398-Y428 AromaticContact CG-CD2 3.73Å; F398-Y428 HydrophobicContact CG-CD2 3.73Å; F398-Y428 HydrophobicContact CG-CE2 4.42Å; F398-Y428 AromaticContact CG-CG 3.42Å; F398-Y428 HydrophobicContact CG-CG 3.42Å; F398-Y428 VanDerWaalsContact CG-CG 3.42Å; I399-Y428 WeakPolarHBondContact CD1-OH 3.5Å; I399-Y428 HydrophobicContact CG2-CE1 4.16Å; Y428-Y430 HydrophobicContact CD1-CD1 4.18Å; Y428-Y430 HydrophobicContact CD1-CD2 4.21Å; Y428-Y430 HydrophobicContact CD1-CE1 4.06Å; Y428-Y430 HydrophobicContact CD1-CE2 4.07Å; Y428-Y430 HydrophobicContact CD1-CG 4.26Å; Y428-Y430 AromaticContact CE1-CD1 3.94Å; Y428-Y430 HydrophobicContact CE1-CD1 3.94Å; Y428-Y430 AromaticContact CE1-CE1 3.95Å; Y428-Y430 HydrophobicContact CE1-CE1 3.95Å; Y428-Y430 HydrophobicContact CE1-CG 4.36Å; Y428-H435 AromaticContact CE1-CD2 3.88Å; Y428-H435 AromaticContact CE1-NE2 3.53Å; Y428-H435 AromaticContact CZ-CD2 3.95Å; Y428-H435 AromaticContact CZ-NE2 3.51Å; Y428-H435 PolarHBondContact OH-CD2 3.08Å; Y428-H435 PolarHBondContact OH-NE2 2.96Å
429	D	90.7	Very high	84.7	Confident	19 Å²	19	21.8 Å²	21.8	10%	0.102	11%	0.11	C	C	.	.			trans	-108.1	92.8	-173.8	-177.7	18.2	0	0	0	113	E389 P427 G431 S432 S467 W469	E389-D429 PolarHBondContact OE1-N 2.85Å; P427-D429 PolarHBondContact O-N 3.02Å; D429-G431 PolarHBondContact O-N 2.83Å; D429-G431 VanDerWaalsContact O-N 3.1Å; D429-G431 WeakPolarHBondContact OD1-CA 3.49Å; D429-G431 PolarHBondContact OD1-N 3.12Å; D429-S432 VanDerWaalsContact O-CB 3.23Å; D429-S432 WeakPolarHBondContact O-CB 3.44Å; D429-S432 PolarHBondContact O-N 2.97Å; D429-S432 PolarHBondContact OD1-N 2.96Å; D429-S432 VanDerWaalsContact OD2-CA 3.23Å; D429-S432 WeakPolarHBondContact OD2-CA 3.49Å; D429-S432 WeakPolarHBondContact OD2-CB 3.47Å; D429-S432 PolarHBondContact OD2-N 3.39Å; D429-S432 VanDerWaalsContact OD2-N 3.14Å; D429-S467 WeakPolarHBondContact OD2-CB 3.42Å; D429-S467 PolarHBondContact OD2-OG 2.84Å; D429-W469 HydrophobicContact CB-CB 4.1Å; D429-W469 HydrophobicContact CB-CG 4.42Å
430	Y	92	Very high	85.6	Confident	22 Å²	22	21 Å²	21	9%	0.086	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.9	174.1	-59.8	-86	0	0	0	113.7	F398 I399 Y428 T452 A456 K459 M460	F398-Y430 HydrophobicContact CB-CE1 4.41Å; F398-Y430 WeakPolarHBondContact CB-OH 3.42Å; F398-Y430 PolarHBondContact O-OH 3.08Å; I399-Y430 HydrophobicContact CG2-CD1 4.38Å; I399-Y430 HydrophobicContact CG2-CE1 3.84Å; Y428-Y430 HydrophobicContact CD1-CD1 4.18Å; Y428-Y430 HydrophobicContact CD1-CD2 4.21Å; Y428-Y430 HydrophobicContact CD1-CE1 4.06Å; Y428-Y430 HydrophobicContact CD1-CE2 4.07Å; Y428-Y430 HydrophobicContact CD1-CG 4.26Å; Y428-Y430 AromaticContact CE1-CD1 3.94Å; Y428-Y430 HydrophobicContact CE1-CD1 3.94Å; Y428-Y430 AromaticContact CE1-CE1 3.95Å; Y428-Y430 HydrophobicContact CE1-CE1 3.95Å; Y428-Y430 HydrophobicContact CE1-CG 4.36Å; Y430-T452 HydrophobicContact CD1-CG2 3.63Å; Y430-T452 HydrophobicContact CE1-CG2 3.57Å; Y430-A456 HydrophobicContact CD1-CB 4.28Å; Y430-A456 HydrophobicContact CD2-CB 3.73Å; Y430-A456 HydrophobicContact CE2-CB 4.16Å; Y430-A456 HydrophobicContact CG-CB 3.79Å; Y430-K459 CarbonylContact O-C 3.58Å; Y430-K459 VanDerWaalsContact O-C 3.29Å; Y430-M460 HydrophobicContact CD1-CG 4.26Å; Y430-M460 HydrophobicContact CD1-SD 4.01Å; Y430-M460 VanDerWaalsContact O-CA 3.26Å; Y430-M460 WeakPolarHBondContact O-CA 3.26Å; Y430-M460 PolarHBondContact O-N 3.12Å
431	G	92.4	Very high	86.8	Confident	10 Å²	10	23.5 Å²	23.5	10%	0.103	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	5.1	178.2	0	0	0	0	0	113.8	D429 I433 Q462	D429-G431 PolarHBondContact O-N 2.83Å; D429-G431 VanDerWaalsContact O-N 3.1Å; D429-G431 WeakPolarHBondContact OD1-CA 3.49Å; D429-G431 PolarHBondContact OD1-N 3.12Å; G431-I433 PolarHBondContact O-N 2.79Å; G431-Q462 WeakPolarHBondContact O-CG 3.27Å; G431-Q462 PolarHBondContact O-NE2 3.47Å
432	S	94.4	Very high	87.8	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.			trans	-57.3	136.3	177.4	171.7	0	0	0	0	109.2	D429 M434 H435 D470	D429-S432 VanDerWaalsContact O-CB 3.23Å; D429-S432 WeakPolarHBondContact O-CB 3.44Å; D429-S432 PolarHBondContact O-N 2.97Å; D429-S432 PolarHBondContact OD1-N 2.96Å; D429-S432 VanDerWaalsContact OD2-CA 3.23Å; D429-S432 WeakPolarHBondContact OD2-CA 3.49Å; D429-S432 WeakPolarHBondContact OD2-CB 3.47Å; D429-S432 PolarHBondContact OD2-N 3.39Å; D429-S432 VanDerWaalsContact OD2-N 3.14Å; S432-M434 PolarHBondContact O-N 2.94Å; S432-M434 WeakPolarHBondContact OG-CB 3.37Å; S432-M434 PolarHBondContact OG-N 3.32Å; S432-H435 WeakPolarHBondContact O-CB 3.27Å; S432-H435 PolarHBondContact O-N 3.2Å; S432-D470 WeakPolarHBondContact CA-OD2 3.22Å; S432-D470 WeakPolarHBondContact CB-OD1 3.49Å; S432-D470 PolarHBondContact OG-OD1 2.72Å
433	I	95.4	Very high	88.4	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.6	172.7	-152.8	170.7	0	0	0	110.8	G374 Q377 H378 L381 G431 H435 R463 M466 D470	G374-I433 WeakPolarHBondContact O-CD1 3.43Å; Q377-I433 HydrophobicContact CB-CD1 3.93Å; H378-I433 HydrophobicContact CB-CG1 4.37Å; H378-I433 PolarHBondContact CE1-O 3.36Å; H378-I433 PolarHBondContact ND1-O 3.02Å; L381-I433 HydrophobicContact CD1-CG2 3.26Å; G431-I433 PolarHBondContact O-N 2.79Å; I433-H435 VanDerWaalsContact C-N 3.29Å; I433-H435 PolarHBondContact O-N 3.07Å; I433-R463 PolarHBondContact O-NH1 2.63Å; I433-R463 VanDerWaalsContact O-NH1 3.09Å; I433-M466 HydrophobicContact CG2-CG 4.41Å; I433-D470 PolarHBondContact N-OD2 2.82Å
434	M	94.8	Very high	89.1	Confident	1 Å²	1	31 Å²	31	1%	0.005	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-0.6	174.3	-53.3	-50.3	-67.5	0	0	113.5	H378 L381 H382 F386 H388 E389 S432	H378-M434 HydrophobicContact CB-SD 4.38Å; L381-M434 HydrophobicContact CB-CE 4.17Å; L381-M434 HydrophobicContact CB-CG 4.41Å; L381-M434 HydrophobicContact CB-SD 3.49Å; L381-M434 WeakPolarHBondContact CB-SD 3.29Å; L381-M434 HydrophobicContact CD1-CG 4.3Å; L381-M434 HydrophobicContact CD1-SD 3.81Å; L381-M434 HydrophobicContact CG-SD 4.28Å; H382-M434 WeakPolarHBondContact CE1-CE 3.27Å; H382-M434 VanDerWaalsContact ND1-CE 3.32Å; H382-M434 WeakPolarHBondContact ND1-CE 3.42Å; F386-M434 HydrophobicContact CB-CE 4.04Å; F386-M434 HydrophobicContact CB-CG 4.29Å; F386-M434 HydrophobicContact CD1-CG 4.3Å; H388-M434 VanDerWaalsContact CA-O 3.24Å; H388-M434 WeakPolarHBondContact CA-O 3.45Å; H388-M434 WeakPolarHBondContact CB-O 3.05Å; H388-M434 PolarHBondContact CD2-O 2.84Å; H388-M434 VanDerWaalsContact CD2-O 3.27Å; E389-M434 PolarHBondContact N-O 2.82Å; E389-M434 VanDerWaalsContact N-O 3.09Å; S432-M434 PolarHBondContact O-N 2.94Å; S432-M434 WeakPolarHBondContact OG-CB 3.37Å; S432-M434 PolarHBondContact OG-N 3.32Å
435	H	95.1	Very high	89.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-84.3	139.8	176.2	-154.8	-66.1	0	0	0	111.2	E389 Y428 S432 I433 M460 R463	E389-H435 HydrophobicContact CB-CB 4.06Å; Y428-H435 AromaticContact CE1-CD2 3.88Å; Y428-H435 AromaticContact CE1-NE2 3.53Å; Y428-H435 AromaticContact CZ-CD2 3.95Å; Y428-H435 AromaticContact CZ-NE2 3.51Å; Y428-H435 PolarHBondContact OH-CD2 3.08Å; Y428-H435 PolarHBondContact OH-NE2 2.96Å; S432-H435 WeakPolarHBondContact O-CB 3.27Å; S432-H435 PolarHBondContact O-N 3.2Å; I433-H435 VanDerWaalsContact C-N 3.29Å; I433-H435 PolarHBondContact O-N 3.07Å; H435-M460 PolarHBondContact CE1-SD 3.31Å; H435-R463 PolarHBondContact O-NH1 3.44Å; H435-R463 VanDerWaalsContact O-NH1 3.14Å
436	Y	94.2	Very high	89.7	Confident	27 Å²	27	34.9 Å²	34.9	11%	0.106	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-67	155.6	167.8	-82.4	3	0	0	0	112.4	H388 H390 N413 F414 F441 G461	H388-Y436 AromaticContact CD2-CE1 3.83Å; H388-Y436 AromaticContact CE1-CE1 3.46Å; H388-Y436 VanDerWaalsContact CE1-CE1 3.46Å; H388-Y436 WeakPolarHBondContact CE1-CE1 3.3Å; H388-Y436 AromaticContact CE1-CZ 3.73Å; H388-Y436 PolarHBondContact CE1-OH 3.39Å; H388-Y436 AromaticContact CG-CE1 3.83Å; H388-Y436 AromaticContact ND1-CE1 3.61Å; H388-Y436 AromaticContact ND1-CZ 3.67Å; H388-Y436 PolarHBondContact ND1-OH 3.11Å; H388-Y436 AromaticContact NE2-CE1 3.6Å; H390-Y436 AromaticContact CE1-CD1 3.75Å; H390-Y436 AromaticContact CE1-CD2 3.12Å; H390-Y436 WeakPolarHBondContact CE1-CD2 3.48Å; H390-Y436 AromaticContact CE1-CE1 3.87Å; H390-Y436 AromaticContact CE1-CE2 3.2Å; H390-Y436 WeakPolarHBondContact CE1-CE2 3.25Å; H390-Y436 AromaticContact CE1-CG 3.4Å; H390-Y436 AromaticContact CE1-CZ 3.6Å; H390-Y436 AromaticContact ND1-CD1 3.94Å; H390-Y436 AromaticContact ND1-CD2 3.61Å; H390-Y436 AromaticContact ND1-CG 3.49Å; H390-Y436 AromaticContact NE2-CD2 3.44Å; H390-Y436 WeakPolarHBondContact NE2-CD2 3.44Å; H390-Y436 AromaticContact NE2-CE2 3.45Å; H390-Y436 WeakPolarHBondContact NE2-CE2 3.44Å; N413-Y436 HydrophobicContact CB-CE2 4.27Å; F414-Y436 HydrophobicContact CE1-CD2 4.24Å; F414-Y436 HydrophobicContact CZ-CD2 4.43Å; Y436-F441 HydrophobicContact CD2-CD2 4.3Å; Y436-F441 HydrophobicContact CD2-CE2 4.1Å; Y436-F441 HydrophobicContact CE1-CE2 4.46Å; Y436-F441 AromaticContact CE2-CD2 3.93Å; Y436-F441 HydrophobicContact CE2-CD2 3.93Å; Y436-F441 AromaticContact CE2-CE2 3.44Å; Y436-F441 HydrophobicContact CE2-CE2 3.44Å; Y436-F441 VanDerWaalsContact CE2-CE2 3.44Å; Y436-F441 AromaticContact CZ-CE2 3.65Å; Y436-G461 PolarHBondContact O-N 3.26Å
437	S	92.2	Very high	90.2	Very high	37 Å²	37	41.1 Å²	41.1	26%	0.259	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-73.8	161.2	172.4	77.6	0	0	0	0	111	Y439 S440 L450	S437-Y439 PolarHBondContact O-N 2.88Å; S437-Y439 PolarHBondContact OG-N 2.68Å; S437-S440 PolarHBondContact N-OG 3.27Å; S437-S440 PolarHBondContact O-N 2.82Å; S437-S440 VanDerWaalsContact O-N 3.16Å; S437-S440 PolarHBondContact O-OG 2.76Å; S437-S440 PolarHBondContact OG-N 3.46Å; S437-S440 VanDerWaalsContact OG-N 3.09Å; S437-S440 PolarHBondContact OG-OG 3.47Å; S437-L450 WeakPolarHBondContact O-CD1 3.4Å
438	E	91.9	Very high	90.6	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.065	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-19	177.5	-38.6	-159.6	83.9	0	0	113.4	R448 T449 L450 A457 M460	E438-R448 HydrophobicContact CB-CG 4.25Å; E438-R448 CarbonylContact O-C 3.5Å; E438-R448 WeakPolarHBondContact O-CA 3.47Å; E438-R448 IonicContact OE1-CZ 3.1Å; E438-R448 IonicContact OE1-NH1 3.05Å; E438-R448 PolarHBondContact OE1-NH1 2.77Å; E438-R448 IonicContact OE1-NH2 2.72Å; E438-R448 IonicContact OE2-CZ 3.68Å; E438-R448 IonicContact OE2-NH1 3.83Å; E438-R448 PolarHBondContact OE2-NH1 2.91Å; E438-R448 IonicContact OE2-NH2 3.45Å; E438-R448 PolarHBondContact OE2-NH2 3.37Å; E438-T449 PolarHBondContact O-N 2.91Å; E438-T449 PolarHBondContact O-OG1 3.17Å; E438-L450 PolarHBondContact O-N 3.04Å; E438-A457 VanDerWaalsContact CD-O 3.28Å; E438-A457 WeakPolarHBondContact OE1-CA 3.5Å; E438-A457 WeakPolarHBondContact OE1-CB 3.48Å; E438-M460 HydrophobicContact CB-CE 4.24Å; E438-M460 HydrophobicContact CG-CB 4.21Å; E438-M460 HydrophobicContact CG-CE 3.6Å; E438-M460 WeakPolarHBondContact OE1-CE 3.12Å
439	Y	92.8	Very high	90.8	Very high	90 Å²	90	43 Å²	43	35%	0.353	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	6.3	-174.4	-53.7	-79.3	0	0	0	113.1	S437 F441 N442 G446 R447 R448	S437-Y439 PolarHBondContact O-N 2.88Å; S437-Y439 PolarHBondContact OG-N 2.68Å; Y439-F441 PolarHBondContact O-N 3.4Å; Y439-N442 WeakPolarHBondContact O-CB 3.33Å; Y439-N442 PolarHBondContact O-N 3.38Å; Y439-N442 PolarHBondContact O-ND2 2.87Å; Y439-G446 WeakPolarHBondContact CE1-O 3.48Å; Y439-R447 WeakPolarHBondContact CD1-O 3.32Å; Y439-R448 HydrophobicContact CD1-CG 4.14Å; Y439-R448 HydrophobicContact CE1-CB 4.5Å; Y439-R448 HydrophobicContact CE1-CG 3.54Å; Y439-R448 PolarHBondContact OH-NH2 2.81Å
440	S	91.9	Very high	90.9	Very high	23 Å²	23	42.1 Å²	42.1	16%	0.161	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	133.7	-177.4	-73.3	0	0	0	0	110.3	F414 S437 N442 T449	F414-S440 WeakPolarHBondContact CZ-O 3.44Å; S437-S440 PolarHBondContact N-OG 3.27Å; S437-S440 PolarHBondContact O-N 2.82Å; S437-S440 VanDerWaalsContact O-N 3.16Å; S437-S440 PolarHBondContact O-OG 2.76Å; S437-S440 PolarHBondContact OG-N 3.46Å; S437-S440 VanDerWaalsContact OG-N 3.09Å; S437-S440 PolarHBondContact OG-OG 3.47Å; S440-N442 PolarHBondContact O-N 3.31Å; S440-N442 VanDerWaalsContact O-N 3.15Å; S440-T449 PolarHBondContact N-OG1 3.3Å; S440-T449 WeakPolarHBondContact O-CB 3.35Å; S440-T449 VanDerWaalsContact O-CG2 3.27Å; S440-T449 WeakPolarHBondContact O-CG2 3.31Å; S440-T449 PolarHBondContact O-OG1 2.91Å
441	F	91.2	Very high	90.9	Very high	74 Å²	74	43.3 Å²	43.3	33%	0.325	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	29.3	179.2	-53.5	-82.5	0	0	0	115.7	R407 A410 N413 F414 Y436 Y439	R407-F441 WeakPolarHBondContact CG-O 3.36Å; R407-F441 PolarHBondContact N-O 3.07Å; A410-F441 HydrophobicContact CB-CB 3.69Å; A410-F441 HydrophobicContact CB-CD1 3.59Å; A410-F441 HydrophobicContact CB-CE1 4.46Å; A410-F441 HydrophobicContact CB-CG 3.79Å; N413-F441 HydrophobicContact CB-CE2 4.36Å; N413-F441 WeakPolarHBondContact ND2-CE1 3.31Å; N413-F441 VanDerWaalsContact ND2-CZ 3.35Å; N413-F441 WeakPolarHBondContact ND2-CZ 3.43Å; F414-F441 HydrophobicContact CE2-CB 3.83Å; F414-F441 AromaticContact CE2-CD2 3.94Å; F414-F441 HydrophobicContact CE2-CD2 3.94Å; F414-F441 HydrophobicContact CE2-CG 4.2Å; F414-F441 HydrophobicContact CZ-CB 4.05Å; F414-F441 AromaticContact CZ-CD2 3.95Å; F414-F441 HydrophobicContact CZ-CD2 3.95Å; F414-F441 HydrophobicContact CZ-CG 4.45Å; Y436-F441 HydrophobicContact CD2-CD2 4.3Å; Y436-F441 HydrophobicContact CD2-CE2 4.1Å; Y436-F441 HydrophobicContact CE1-CE2 4.46Å; Y436-F441 AromaticContact CE2-CD2 3.93Å; Y436-F441 HydrophobicContact CE2-CD2 3.93Å; Y436-F441 AromaticContact CE2-CE2 3.44Å; Y436-F441 HydrophobicContact CE2-CE2 3.44Å; Y436-F441 VanDerWaalsContact CE2-CE2 3.44Å; Y436-F441 AromaticContact CZ-CE2 3.65Å; Y439-F441 PolarHBondContact O-N 3.4Å
442	N	92.4	Very high	90.6	Very high	27 Å²	27	43.7 Å²	43.7	14%	0.144	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-66.1	142.8	176.9	75.8	80.8	0	0	0	112.6	N405 R407 Y439 S440 Y444 G445 R447 T449	N405-N442 CarbonylContact O-C 3.38Å; N405-N442 VanDerWaalsContact O-CA 3.3Å; N405-N442 WeakPolarHBondContact O-CA 3.33Å; R407-N442 WeakPolarHBondContact CG-O 3.4Å; R407-N442 PolarHBondContact NE-O 3.33Å; Y439-N442 WeakPolarHBondContact O-CB 3.33Å; Y439-N442 PolarHBondContact O-N 3.38Å; Y439-N442 PolarHBondContact O-ND2 2.87Å; S440-N442 PolarHBondContact O-N 3.31Å; S440-N442 VanDerWaalsContact O-N 3.15Å; N442-Y444 PolarHBondContact OD1-O 3.39Å; N442-G445 WeakPolarHBondContact OD1-CA 3.45Å; N442-G445 PolarHBondContact OD1-N 3.49Å; N442-R447 WeakPolarHBondContact CB-O 3.48Å; N442-T449 HydrophobicContact CB-CG2 3.85Å
443	K	88.4	Confident	89.7	Confident	84 Å²	84	49.5 Å²	49.5	37%	0.365	26%	0.258	S	S	.	.	S	Bend	trans	-79.9	-42	177.8	-176.8	171.2	-179.7	170.5	0	111.9	N405 R407 E408	N405-K443 WeakPolarHBondContact O-CB 3.18Å; N405-K443 PolarHBondContact O-N 3.24Å; R407-K443 HydrophobicContact CG-CB 4.31Å; E408-K443 IonicContact OE1-NZ 2.73Å; E408-K443 PolarHBondContact OE1-NZ 3.33Å
444	Y	80.2	Confident	88.5	Confident	112 Å²	112	55.2 Å²	55.2	44%	0.439	28%	0.283	S	S	.	.	S	Bend	trans	-117	109.1	-178.9	-47.3	-71.9	0	0	0	107.6	N442 G446 R447	N442-Y444 PolarHBondContact OD1-O 3.39Å; Y444-G446 PolarHBondContact O-N 3.23Å; Y444-R447 WeakPolarHBondContact O-CB 3.45Å; Y444-R447 PolarHBondContact O-N 2.86Å; Y444-R447 VanDerWaalsContact O-N 3.1Å
445	G	79	Confident	87	Confident	75 Å²	75	65.1 Å²	65.1	77%	0.773	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.6	130.3	-177.3	0	0	0	0	0	112.9	N442	N442-G445 WeakPolarHBondContact OD1-CA 3.45Å; N442-G445 PolarHBondContact OD1-N 3.49Å
446	G	81.5	Confident	85.3	Confident	62 Å²	62	66.3 Å²	66.3	64%	0.639	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-2.2	177.6	0	0	0	0	0	116	Y439 Y444	Y439-G446 WeakPolarHBondContact CE1-O 3.48Å; Y444-G446 PolarHBondContact O-N 3.23Å
447	R	90.7	Very high	83.6	Confident	139 Å²	139	65.7 Å²	65.7	53%	0.525	34%	0.34	S	S	.	.			trans	-90.2	137.1	171.8	-64.2	-164.7	179.5	-165.4	-1.3	112.2	N405 Y439 N442 Y444	N405-R447 HydrophobicContact CB-CB 4.21Å; N405-R447 VanDerWaalsContact OD1-CD 3.26Å; N405-R447 WeakPolarHBondContact OD1-CD 3.47Å; Y439-R447 WeakPolarHBondContact CD1-O 3.32Å; N442-R447 WeakPolarHBondContact CB-O 3.48Å; Y444-R447 WeakPolarHBondContact O-CB 3.45Å; Y444-R447 PolarHBondContact O-N 2.86Å; Y444-R447 VanDerWaalsContact O-N 3.1Å
448	R	91.8	Very high	82.4	Confident	87 Å²	87	75.4 Å²	75.4	33%	0.328	37%	0.371	S	S	.	.			trans	-72.7	128.5	178.3	-64.5	177.2	177.2	-123.7	-21.2	110.6	N402 N405 E438 Y439	N402-R448 WeakPolarHBondContact CB-O 3.44Å; N402-R448 PolarHBondContact ND2-O 3.13Å; N405-R448 PolarHBondContact ND2-O 2.96Å; E438-R448 HydrophobicContact CB-CG 4.25Å; E438-R448 CarbonylContact O-C 3.5Å; E438-R448 WeakPolarHBondContact O-CA 3.47Å; E438-R448 IonicContact OE1-CZ 3.1Å; E438-R448 IonicContact OE1-NH1 3.05Å; E438-R448 PolarHBondContact OE1-NH1 2.77Å; E438-R448 IonicContact OE1-NH2 2.72Å; E438-R448 IonicContact OE2-CZ 3.68Å; E438-R448 IonicContact OE2-NH1 3.83Å; E438-R448 PolarHBondContact OE2-NH1 2.91Å; E438-R448 IonicContact OE2-NH2 3.45Å; E438-R448 PolarHBondContact OE2-NH2 3.37Å; Y439-R448 HydrophobicContact CD1-CG 4.14Å; Y439-R448 HydrophobicContact CE1-CB 4.5Å; Y439-R448 HydrophobicContact CE1-CG 3.54Å; Y439-R448 PolarHBondContact OH-NH2 2.81Å
449	T	94.1	Very high	81.7	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	40%	0.396	C	S	.	.	S	Bend	trans	-89	-21.7	167.5	49.8	0	0	0	0	111.9	I401 N402 N405 V406 E438 S440 N442	I401-T449 WeakPolarHBondContact CA-O 3.26Å; N402-T449 PolarHBondContact N-O 3.37Å; N405-T449 HydrophobicContact CB-CG2 4.19Å; N405-T449 WeakPolarHBondContact O-CG2 3.47Å; V406-T449 HydrophobicContact CB-CG2 4.5Å; V406-T449 HydrophobicContact CG2-CG2 3.78Å; E438-T449 PolarHBondContact O-N 2.91Å; E438-T449 PolarHBondContact O-OG1 3.17Å; S440-T449 PolarHBondContact N-OG1 3.3Å; S440-T449 WeakPolarHBondContact O-CB 3.35Å; S440-T449 VanDerWaalsContact O-CG2 3.27Å; S440-T449 WeakPolarHBondContact O-CG2 3.31Å; S440-T449 PolarHBondContact O-OG1 2.91Å; N442-T449 HydrophobicContact CB-CG2 3.85Å
450	L	93.2	Very high	81.7	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130	177	-58	171.2	0	0	0	110.5	I399 I400 I401 F414 S437 E438 M460	I399-L450 HydrophobicContact CD1-CD2 4.02Å; I400-L450 WeakPolarHBondContact O-CA 3.45Å; I401-L450 HydrophobicContact CD1-CD2 3.13Å; F414-L450 HydrophobicContact CD1-CD2 3.99Å; F414-L450 HydrophobicContact CE1-CD1 4.47Å; F414-L450 HydrophobicContact CE1-CD2 3.9Å; F414-L450 HydrophobicContact CE1-CG 4.14Å; S437-L450 WeakPolarHBondContact O-CD1 3.4Å; E438-L450 PolarHBondContact O-N 3.04Å; L450-M460 HydrophobicContact CB-CE 3.98Å
451	T	90.9	Very high	81.6	Confident	47 Å²	47	77.5 Å²	77.5	29%	0.288	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.8	173.4	-55.1	0	0	0	0	109.5	I399 I400 N402	I399-T451 CarbonylContact C-O 3.59Å; I399-T451 WeakPolarHBondContact CA-O 3.28Å; I400-T451 PolarHBondContact N-O 3.26Å; I400-T451 PolarHBondContact O-N 2.98Å; N402-T451 PolarHBondContact ND2-OG1 3Å; N402-T451 PolarHBondContact OD1-OG1 3.24Å
452	T	86.3	Confident	81.7	Confident	19 Å²	19	76 Å²	76	12%	0.117	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	147.7	177.6	63.2	0	0	0	0	111.4	I399 Y430 K454 A457 M460	I399-T452 HydrophobicContact CG2-CG2 4.05Å; Y430-T452 HydrophobicContact CD1-CG2 3.63Å; Y430-T452 HydrophobicContact CE1-CG2 3.57Å; T452-K454 VanDerWaalsContact C-N 3.31Å; T452-K454 WeakPolarHBondContact CB-O 3.2Å; T452-K454 PolarHBondContact OG1-O 2.95Å; T452-A457 HydrophobicContact CG2-CB 4.33Å; T452-A457 PolarHBondContact OG1-N 2.78Å; T452-M460 HydrophobicContact CG2-CE 3.32Å; T452-M460 HydrophobicContact CG2-CG 4.32Å; T452-M460 HydrophobicContact CG2-SD 3.33Å; T452-M460 WeakPolarHBondContact CG2-SD 3.41Å
453	F	76.4	Confident	81.8	Confident	122 Å²	122	77.5 Å²	77.5	54%	0.535	38%	0.382	S	S	.	.	S	Bend	trans	-77.9	-15.3	173.1	-64.3	-68.4	0	0	0	113.9	T397 F398 I400	T397-F453 WeakPolarHBondContact O-CD2 3.33Å; F398-F453 VanDerWaalsContact O-CD2 3.3Å; F398-F453 WeakPolarHBondContact O-CD2 3.26Å; F398-F453 PolarHBondContact O-N 2.81Å; F398-F453 VanDerWaalsContact O-N 3.17Å; I400-F453 HydrophobicContact CD1-CD1 4.38Å; I400-F453 HydrophobicContact CD1-CE1 3.48Å; I400-F453 VanDerWaalsContact CD1-CE1 3.48Å; I400-F453 HydrophobicContact CD1-CZ 3.66Å; I400-F453 HydrophobicContact CG1-CE1 3.79Å; I400-F453 HydrophobicContact CG1-CE2 4.11Å; I400-F453 HydrophobicContact CG1-CZ 3.39Å
454	K	69.4	Low	82	Confident	120 Å²	120	79.2 Å²	79.2	52%	0.522	40%	0.399	S	S	.	.	S	Bend	trans	-109.6	158.7	176.2	-63.6	-173.1	177.1	-176.4	0	109.9	T452 A456	T452-K454 VanDerWaalsContact C-N 3.31Å; T452-K454 WeakPolarHBondContact CB-O 3.2Å; T452-K454 PolarHBondContact OG1-O 2.95Å; K454-A456 HydrophobicContact CB-CB 4.32Å; K454-A456 PolarHBondContact O-N 2.9Å
455	E	63.5	Low	82.6	Confident	208 Å²	208	76.6 Å²	76.6	97%	0.972	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	33.1	169	-68.2	-166.9	147.3	0	0	113.5
456	A	60	Low	83.3	Confident	25 Å²	25	73.7 Å²	73.7	21%	0.207	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-5.2	176.5	0	0	0	0	0	113.3	Y430 K454 R458 K459	Y430-A456 HydrophobicContact CD1-CB 4.28Å; Y430-A456 HydrophobicContact CD2-CB 3.73Å; Y430-A456 HydrophobicContact CE2-CB 4.16Å; Y430-A456 HydrophobicContact CG-CB 3.79Å; K454-A456 HydrophobicContact CB-CB 4.32Å; K454-A456 PolarHBondContact O-N 2.9Å; A456-R458 PolarHBondContact O-N 3.41Å; A456-K459 PolarHBondContact O-N 3.13Å; A456-K459 VanDerWaalsContact O-N 3.12Å
457	A	59	Low	83.9	Confident	14 Å²	14	71.3 Å²	71.3	12%	0.116	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-34.4	-45.3	177	0	0	0	0	0	115.1	E438 T452 K459 M460	E438-A457 VanDerWaalsContact CD-O 3.28Å; E438-A457 WeakPolarHBondContact OE1-CA 3.5Å; E438-A457 WeakPolarHBondContact OE1-CB 3.48Å; T452-A457 HydrophobicContact CG2-CB 4.33Å; T452-A457 PolarHBondContact OG1-N 2.78Å; A457-K459 PolarHBondContact O-N 3.4Å; A457-M460 PolarHBondContact O-N 2.76Å
458	R	65.3	Low	83.9	Confident	242 Å²	242	69.7 Å²	69.7	91%	0.913	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-67.5	-9.9	-171.7	-61.7	-173.5	-177.2	-175.2	2.4	115.3	A456	A456-R458 PolarHBondContact O-N 3.41Å
459	K	79	Confident	83.7	Confident	138 Å²	138	70.6 Å²	70.6	60%	0.6	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-92.9	-17.2	178	-63.8	-174.4	178.2	-177.7	0	113.4	Y430 A456 A457 G461 Q462	Y430-K459 CarbonylContact O-C 3.58Å; Y430-K459 VanDerWaalsContact O-C 3.29Å; A456-K459 PolarHBondContact O-N 3.13Å; A456-K459 VanDerWaalsContact O-N 3.12Å; A457-K459 PolarHBondContact O-N 3.4Å; K459-G461 PolarHBondContact O-N 2.83Å; K459-Q462 WeakPolarHBondContact O-CB 3.39Å; K459-Q462 PolarHBondContact O-N 3.41Å
460	M	90.8	Very high	83.6	Confident	13 Å²	13	70.6 Å²	70.6	6%	0.064	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	132.5	-174.6	-62.8	-163.7	-53.5	0	0	111.4	I399 Y430 H435 E438 L450 T452 A457	I399-M460 HydrophobicContact CG2-SD 4.23Å; Y430-M460 HydrophobicContact CD1-CG 4.26Å; Y430-M460 HydrophobicContact CD1-SD 4.01Å; Y430-M460 VanDerWaalsContact O-CA 3.26Å; Y430-M460 WeakPolarHBondContact O-CA 3.26Å; Y430-M460 PolarHBondContact O-N 3.12Å; H435-M460 PolarHBondContact CE1-SD 3.31Å; E438-M460 HydrophobicContact CB-CE 4.24Å; E438-M460 HydrophobicContact CG-CB 4.21Å; E438-M460 HydrophobicContact CG-CE 3.6Å; E438-M460 WeakPolarHBondContact OE1-CE 3.12Å; L450-M460 HydrophobicContact CB-CE 3.98Å; T452-M460 HydrophobicContact CG2-CE 3.32Å; T452-M460 HydrophobicContact CG2-CG 4.32Å; T452-M460 HydrophobicContact CG2-SD 3.33Å; T452-M460 WeakPolarHBondContact CG2-SD 3.41Å; A457-M460 PolarHBondContact O-N 2.76Å
461	G	91.7	Very high	83.5	Confident	20 Å²	20	71.7 Å²	71.7	21%	0.206	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	10.7	-179.8	0	0	0	0	0	114.9	Y436 K459 R463	Y436-G461 PolarHBondContact O-N 3.26Å; K459-G461 PolarHBondContact O-N 2.83Å; G461-R463 PolarHBondContact O-NH1 2.8Å
462	Q	93	Very high	83.1	Confident	43 Å²	43	71.1 Å²	71.1	20%	0.201	36%	0.355	C	S	.	.			trans	-59.2	146.5	173.3	73.2	83	12.2	0	0	111.4	G431 K459 S465	G431-Q462 WeakPolarHBondContact O-CG 3.27Å; G431-Q462 PolarHBondContact O-NE2 3.47Å; K459-Q462 WeakPolarHBondContact O-CB 3.39Å; K459-Q462 PolarHBondContact O-N 3.41Å; Q462-S465 PolarHBondContact NE2-O 2.91Å; Q462-S465 PolarHBondContact OE1-O 2.76Å
463	R	93	Very high	82.9	Confident	57 Å²	57	70.8 Å²	70.8	22%	0.215	35%	0.351	C	S	.	.			trans	-134.4	31.4	177.8	-64.3	-64.8	-177.7	-89.3	6.6	111.7	I372 G374 I433 H435 G461	I372-R463 HydrophobicContact CG2-CB 4.4Å; I372-R463 WeakPolarHBondContact CG2-O 3.29Å; G374-R463 VanDerWaalsContact CA-O 3.27Å; G374-R463 WeakPolarHBondContact CA-O 3.16Å; I433-R463 PolarHBondContact O-NH1 2.63Å; I433-R463 VanDerWaalsContact O-NH1 3.09Å; H435-R463 PolarHBondContact O-NH1 3.44Å; H435-R463 VanDerWaalsContact O-NH1 3.14Å; G461-R463 PolarHBondContact O-NH1 2.8Å
464	V	92.8	Very high	83.2	Confident	120 Å²	120	65 Å²	65	73%	0.727	33%	0.326	S	S	*	.	S	Bend	trans	-83.3	-56.8	-179.8	178.9	0	0	0	0	110.1
465	S	93.2	Very high	83.2	Confident	58 Å²	58	65.9 Å²	65.9	41%	0.406	33%	0.326	S	S	.	.	S	Bend	trans	-161.3	164.4	-178.8	63.7	0	0	0	0	111.3	Q462	Q462-S465 PolarHBondContact NE2-O 2.91Å; Q462-S465 PolarHBondContact OE1-O 2.76Å
466	M	94.2	Very high	82.9	Confident	14 Å²	14	60.1 Å²	60.1	7%	0.069	31%	0.307	C	S	.	.			trans	-53.3	140.1	167	-67.9	-168.3	-63.8	0	0	111.1	I319 E322 Q377 L381 I433 D470 I471	I319-M466 HydrophobicContact CB-CE 4.22Å; I319-M466 HydrophobicContact CG1-CE 3.78Å; I319-M466 HydrophobicContact CG1-SD 4.05Å; E322-M466 HydrophobicContact CB-CE 4.45Å; Q377-M466 HydrophobicContact CB-CG 4.36Å; L381-M466 HydrophobicContact CD1-CG 3.86Å; L381-M466 HydrophobicContact CD1-SD 3.9Å; L381-M466 HydrophobicContact CD2-SD 4.17Å; L381-M466 HydrophobicContact CG-SD 4.25Å; I433-M466 HydrophobicContact CG2-CG 4.41Å; M466-D470 HydrophobicContact CB-CB 3.89Å; M466-D470 HydrophobicContact CG-CB 4.25Å; M466-I471 HydrophobicContact CB-CD1 4.44Å; M466-I471 HydrophobicContact CB-CG1 3.96Å; M466-I471 HydrophobicContact CE-CG1 3.94Å; M466-I471 HydrophobicContact SD-CG1 4.5Å
467	S	93	Very high	82.3	Confident	11 Å²	11	61 Å²	61	8%	0.077	31%	0.306	C	S	.	.			trans	-75.5	167	170.3	84.7	0	0	0	0	111.1	D429 W469 D470 I471	D429-S467 WeakPolarHBondContact OD2-CB 3.42Å; D429-S467 PolarHBondContact OD2-OG 2.84Å; S467-W469 PolarHBondContact O-N 2.68Å; S467-W469 PolarHBondContact OG-N 3.44Å; S467-W469 VanDerWaalsContact OG-N 3.07Å; S467-D470 PolarHBondContact N-OD2 3.16Å; S467-D470 PolarHBondContact O-N 3.29Å; S467-D470 PolarHBondContact OG-N 2.67Å; S467-D470 PolarHBondContact OG-OD2 3.41Å; S467-I471 WeakPolarHBondContact O-CG1 3.36Å; S467-I471 PolarHBondContact O-N 2.95Å
468	P	90.5	Very high	83.5	Confident	105 Å²	105	63.4 Å²	63.4	68%	0.682	32%	0.316	S	S	*	.	H	α-helix	trans	-55.7	-31.4	169.6	-26.5	36	0	0	0	113.8	A472	P468-A472 VanDerWaalsContact O-CB 3.32Å; P468-A472 WeakPolarHBondContact O-CB 3.43Å; P468-A472 PolarHBondContact O-N 3.17Å
469	W	88.9	Confident	84.4	Confident	106 Å²	106	53.9 Å²	53.9	40%	0.402	28%	0.284	S	S	.	.	H	α-helix	trans	-80.9	-34.1	178.7	-68	118.7	0	0	0	112.7	T426 P427 D429 S467 I471 A472 K473	T426-W469 HydrophobicContact CG2-CE3 3.75Å; T426-W469 HydrophobicContact CG2-CZ3 4.24Å; P427-W469 HydrophobicContact CG-CD2 4.43Å; P427-W469 HydrophobicContact CG-CH2 3.85Å; P427-W469 HydrophobicContact CG-CZ2 3.54Å; P427-W469 HydrophobicContact CG-CZ3 4.4Å; D429-W469 HydrophobicContact CB-CB 4.1Å; D429-W469 HydrophobicContact CB-CG 4.42Å; S467-W469 PolarHBondContact O-N 2.68Å; S467-W469 PolarHBondContact OG-N 3.44Å; S467-W469 VanDerWaalsContact OG-N 3.07Å; W469-I471 VanDerWaalsContact C-N 3.3Å; W469-I471 PolarHBondContact O-N 3.5Å; W469-A472 HydrophobicContact CE3-CB 4.09Å; W469-A472 PolarHBondContact O-N 2.73Å; W469-K473 WeakPolarHBondContact O-CB 3.37Å; W469-K473 VanDerWaalsContact O-CG 3.29Å; W469-K473 WeakPolarHBondContact O-CG 3.36Å; W469-K473 PolarHBondContact O-N 3.11Å
470	D	91.6	Very high	84.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.3	-46.6	169.3	-64.1	-36.9	0	0	0	110	S432 I433 M466 S467 K473 A474	S432-D470 WeakPolarHBondContact CA-OD2 3.22Å; S432-D470 WeakPolarHBondContact CB-OD1 3.49Å; S432-D470 PolarHBondContact OG-OD1 2.72Å; I433-D470 PolarHBondContact N-OD2 2.82Å; M466-D470 HydrophobicContact CB-CB 3.89Å; M466-D470 HydrophobicContact CG-CB 4.25Å; S467-D470 PolarHBondContact N-OD2 3.16Å; S467-D470 PolarHBondContact O-N 3.29Å; S467-D470 PolarHBondContact OG-N 2.67Å; S467-D470 PolarHBondContact OG-OD2 3.41Å; D470-K473 PolarHBondContact O-N 3.26Å; D470-A474 WeakPolarHBondContact O-CB 3.38Å; D470-A474 PolarHBondContact O-N 2.75Å; D470-A474 VanDerWaalsContact O-N 3.08Å
471	I	90.4	Very high	84.4	Confident	23 Å²	23	51.4 Å²	51.4	12%	0.118	28%	0.279	C	S	.	.	H	α-helix	trans	-62.4	-46.9	176.4	-66.2	164.6	0	0	0	110.9	E322 T323 M466 S467 W469 K473 A474 R475	E322-I471 HydrophobicContact CB-CD1 3.98Å; E322-I471 HydrophobicContact CB-CG1 3.97Å; E322-I471 HydrophobicContact CB-CG2 3.86Å; E322-I471 HydrophobicContact CG-CD1 3.95Å; E322-I471 HydrophobicContact CG-CG1 4.44Å; E322-I471 WeakPolarHBondContact O-CG2 3.3Å; T323-I471 HydrophobicContact CG2-CG2 4.45Å; M466-I471 HydrophobicContact CB-CD1 4.44Å; M466-I471 HydrophobicContact CB-CG1 3.96Å; M466-I471 HydrophobicContact CE-CG1 3.94Å; M466-I471 HydrophobicContact SD-CG1 4.5Å; S467-I471 WeakPolarHBondContact O-CG1 3.36Å; S467-I471 PolarHBondContact O-N 2.95Å; W469-I471 VanDerWaalsContact C-N 3.3Å; W469-I471 PolarHBondContact O-N 3.5Å; I471-K473 VanDerWaalsContact C-N 3.3Å; I471-K473 PolarHBondContact O-N 2.76Å; I471-A474 PolarHBondContact O-N 3.06Å; I471-R475 PolarHBondContact O-N 2.92Å; I471-R475 VanDerWaalsContact O-N 3.12Å
472	A	83.4	Confident	83.9	Confident	36 Å²	36	53.4 Å²	53.4	30%	0.298	28%	0.283	S	S	.	.	H	α-helix	trans	-61.2	-39.4	-179.5	0	0	0	0	0	112.2	P468 W469 A474 P476	P468-A472 VanDerWaalsContact O-CB 3.32Å; P468-A472 WeakPolarHBondContact O-CB 3.43Å; P468-A472 PolarHBondContact O-N 3.17Å; W469-A472 HydrophobicContact CE3-CB 4.09Å; W469-A472 PolarHBondContact O-N 2.73Å; A472-A474 VanDerWaalsContact C-N 3.3Å; A472-P476 WeakPolarHBondContact O-CD 3.3Å
473	K	82.4	Confident	83.3	Confident	11 Å²	11	54.1 Å²	54.1	5%	0.048	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-32.7	173.4	-73.9	174.2	-175.6	178.6	0	112.1	F386 E389 Y422 T426 W469 D470 I471 P476 H477	F386-K473 HydrophobicContact CD1-CD 4.49Å; F386-K473 HydrophobicContact CE1-CB 3.46Å; F386-K473 VanDerWaalsContact CE1-CB 3.46Å; F386-K473 HydrophobicContact CE1-CD 3.95Å; F386-K473 HydrophobicContact CE1-CG 4.37Å; F386-K473 HydrophobicContact CZ-CB 3.58Å; E389-K473 IonicContact OE1-NZ 3.62Å; E389-K473 IonicContact OE2-NZ 3.57Å; E389-K473 PolarHBondContact OE2-NZ 3.27Å; Y422-K473 PolarHBondContact OH-NZ 3.04Å; T426-K473 HydrophobicContact CG2-CG 3.73Å; T426-K473 WeakPolarHBondContact OG1-CE 3Å; W469-K473 WeakPolarHBondContact O-CB 3.37Å; W469-K473 VanDerWaalsContact O-CG 3.29Å; W469-K473 WeakPolarHBondContact O-CG 3.36Å; W469-K473 PolarHBondContact O-N 3.11Å; D470-K473 PolarHBondContact O-N 3.26Å; I471-K473 VanDerWaalsContact C-N 3.3Å; I471-K473 PolarHBondContact O-N 2.76Å; K473-P476 VanDerWaalsContact O-CD 3.3Å; K473-P476 WeakPolarHBondContact O-CD 3.45Å; K473-H477 PolarHBondContact O-CD2 3.2Å; K473-H477 PolarHBondContact O-NE2 3.03Å
474	A	81.7	Confident	82.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-84.9	-11.9	-176.7	0	0	0	0	0	114.2	T323 F386 D470 I471 A472	T323-A474 HydrophobicContact CG2-CB 3.56Å; F386-A474 HydrophobicContact CE2-CB 4.38Å; F386-A474 HydrophobicContact CZ-CB 3.81Å; D470-A474 WeakPolarHBondContact O-CB 3.38Å; D470-A474 PolarHBondContact O-N 2.75Å; D470-A474 VanDerWaalsContact O-N 3.08Å; I471-A474 PolarHBondContact O-N 3.06Å; A472-A474 VanDerWaalsContact C-N 3.3Å
475	R	70.9	Confident	81.9	Confident	139 Å²	139	48.8 Å²	48.8	53%	0.525	26%	0.261	S	S	.	.	S	Bend	trans	-70.3	-38.2	179.8	-80.5	-179.7	-179.1	-179.4	2.5	115.8	E322 I471 H477	E322-R475 PolarHBondContact O-NE 2.67Å; I471-R475 PolarHBondContact O-N 2.92Å; I471-R475 VanDerWaalsContact O-N 3.12Å; R475-H477 PolarHBondContact O-N 3.1Å
476	P	55.9	Low	80.9	Confident	87 Å²	87	48 Å²	48	57%	0.565	25%	0.249	S	C	*	.			trans	-68.4	-20	175.8	-18.6	32.2	0	0	0	113.4	A472 K473	A472-P476 WeakPolarHBondContact O-CD 3.3Å; K473-P476 VanDerWaalsContact O-CD 3.3Å; K473-P476 WeakPolarHBondContact O-CD 3.45Å
477	H	48	Very low	79.7	Confident	44 Å²	44	51.1 Å²	51.1	20%	0.204	27%	0.265	C	S	.	.			trans	-87.4	0	-174.5	-64.7	-59.5	0	0	0	115.1	V283 R295 K473 R475	V283-H477 WeakPolarHBondContact CG1-CE1 3.46Å; V283-H477 WeakPolarHBondContact CG1-NE2 3.19Å; R295-H477 WeakPolarHBondContact CA-OXT 3.4Å; R295-H477 WeakPolarHBondContact CB-O 3.4Å; R295-H477 WeakPolarHBondContact CB-OXT 3.42Å; R295-H477 WeakPolarHBondContact CD-O 3.2Å; R295-H477 WeakPolarHBondContact CD-OXT 3.46Å; R295-H477 VanDerWaalsContact CG-C 3.41Å; R295-H477 WeakPolarHBondContact CG-O 3.13Å; R295-H477 WeakPolarHBondContact CG-OXT 3.41Å; K473-H477 PolarHBondContact O-CD2 3.2Å; K473-H477 PolarHBondContact O-NE2 3.03Å; R475-H477 PolarHBondContact O-N 3.1Å

Retrieved 477 of 477 residues in 224 ms (Link to these results)

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