A0A077YZF2_TRITR Loading...

heparosan-N-sulfate-glucuronate 5-epimerase

AlphaFold DB , UniProt , Accession A0A077YZF2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 566 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	49	Very low	65.9	Low	201 Å²	201	128 Å²	128	99%	0.99	65%	0.651	S	S	*	*				0	125	0	-79.4	176.7	169.2	0	0	108.3
2	G	57.4	Low	67	Low	39 Å²	39	127.8 Å²	127.8	40%	0.402	65%	0.652	S	S	.	*			trans	-70.7	160.3	-175.4	0	0	0	0	0	113.5	R4 Y5	G2-R4 PolarHBondContact O-N 3.07Å; G2-Y5 WeakPolarHBondContact O-CB 3.27Å; G2-Y5 PolarHBondContact O-N 2.7Å
3	P	61.7	Low	68.1	Low	110 Å²	110	126.7 Å²	126.7	71%	0.714	65%	0.647	S	S	*	*	H	α-helix	trans	-56.6	-27.4	-175.5	18.5	-30.4	0	0	0	114.1	Y5 L6 F7	P3-Y5 VanDerWaalsContact C-N 3.31Å; P3-Y5 PolarHBondContact O-N 3.03Å; P3-L6 PolarHBondContact O-N 3.33Å; P3-F7 PolarHBondContact O-N 3.36Å
4	R	63.6	Low	69.1	Low	223 Å²	223	123.6 Å²	123.6	84%	0.842	64%	0.637	S	S	*	*	H	α-helix	trans	-67	-25.2	174.2	-74.2	-175.7	176.6	177.9	-0.6	114.3	G2	G2-R4 PolarHBondContact O-N 3.07Å
5	Y	61.2	Low	70	Confident	153 Å²	153	124.9 Å²	124.9	60%	0.6	64%	0.636	S	S	*	*	H	α-helix	trans	-79.4	-36.5	177.5	-101.1	-87.3	0	0	0	112.2	G2 P3 F7 K8 L9	G2-Y5 WeakPolarHBondContact O-CB 3.27Å; G2-Y5 PolarHBondContact O-N 2.7Å; P3-Y5 VanDerWaalsContact C-N 3.31Å; P3-Y5 PolarHBondContact O-N 3.03Å; Y5-F7 VanDerWaalsContact C-N 3.33Å; Y5-F7 PolarHBondContact O-N 3.39Å; Y5-K8 PolarHBondContact O-N 3.25Å; Y5-L9 PolarHBondContact O-N 3.31Å; Y5-L9 VanDerWaalsContact O-N 3.09Å
6	L	66.1	Low	70.7	Confident	126 Å²	126	121.3 Å²	121.3	66%	0.66	63%	0.625	S	S	*	*	H	α-helix	trans	-62.2	-40	174.8	-84.3	151.9	0	0	0	111.7	P3 K8 L9 G10	P3-L6 PolarHBondContact O-N 3.33Å; L6-K8 PolarHBondContact O-N 3.38Å; L6-L9 PolarHBondContact O-N 3.22Å; L6-G10 PolarHBondContact O-N 3.1Å
7	F	71.3	Confident	71.3	Confident	175 Å²	175	119.3 Å²	119.3	77%	0.768	62%	0.615	S	S	*	*	H	α-helix	trans	-65.5	-38.4	177.2	-126.6	-86.1	0	0	0	113	P3 Y5 G10 S11	P3-F7 PolarHBondContact O-N 3.36Å; Y5-F7 VanDerWaalsContact C-N 3.33Å; Y5-F7 PolarHBondContact O-N 3.39Å; F7-G10 PolarHBondContact O-N 3.1Å; F7-S11 PolarHBondContact O-N 3.34Å
8	K	71.7	Confident	71.9	Confident	157 Å²	157	117.3 Å²	117.3	68%	0.683	60%	0.604	S	S	*	*	H	α-helix	trans	-68.2	-40.5	176.4	-78.8	-172.8	176.8	-176.3	0	112.4	Y5 L6 L12	Y5-K8 PolarHBondContact O-N 3.25Å; L6-K8 PolarHBondContact O-N 3.38Å; K8-L12 PolarHBondContact O-N 2.88Å; K8-L12 VanDerWaalsContact O-N 3.17Å
9	L	71.9	Confident	72.3	Confident	106 Å²	106	115.1 Å²	115.1	56%	0.555	60%	0.597	S	S	*	*	H	α-helix	trans	-65.6	-42.6	174.6	-100.7	110.7	0	0	0	111.8	Y5 L6 S11 L12 L13	Y5-L9 PolarHBondContact O-N 3.31Å; Y5-L9 VanDerWaalsContact O-N 3.09Å; L6-L9 PolarHBondContact O-N 3.22Å; L9-S11 PolarHBondContact O-N 2.98Å; L9-L12 PolarHBondContact O-N 2.05Å; L9-L13 PolarHBondContact O-N 3.13Å
10	G	73.2	Confident	72.7	Confident	37 Å²	37	114.7 Å²	114.7	38%	0.381	59%	0.594	S	S	.	*	H	α-helix	trans	-60.1	-45.3	177.3	0	0	0	0	0	112.6	L6 F7 L12 L13 V14	L6-G10 PolarHBondContact O-N 3.1Å; F7-G10 PolarHBondContact O-N 3.1Å; G10-L12 PolarHBondContact O-N 3.31Å; G10-L13 PolarHBondContact O-N 3.49Å; G10-V14 WeakPolarHBondContact O-CG2 3.36Å; G10-V14 PolarHBondContact O-N 2.84Å; G10-V14 VanDerWaalsContact O-N 3.08Å
11	S	77.4	Confident	72.8	Confident	81 Å²	81	113.5 Å²	113.5	57%	0.566	59%	0.588	S	S	*	*	H	α-helix	trans	-64	-38.6	177.7	179.8	0	0	0	0	112.8	F7 L9 F15	F7-S11 PolarHBondContact O-N 3.34Å; L9-S11 PolarHBondContact O-N 2.98Å; S11-F15 WeakPolarHBondContact O-CB 3.29Å; S11-F15 PolarHBondContact O-N 3.28Å; S11-F15 VanDerWaalsContact O-N 3.07Å
12	L	79.9	Confident	73.9	Confident	126 Å²	126	108.4 Å²	108.4	66%	0.66	56%	0.564	S	S	*	*	H	α-helix	trans	-66.3	-40	177.5	-136.6	98.8	0	0	0	111.8	K8 L9 G10 F15 C16	K8-L12 PolarHBondContact O-N 2.88Å; K8-L12 VanDerWaalsContact O-N 3.17Å; L9-L12 PolarHBondContact O-N 2.05Å; G10-L12 PolarHBondContact O-N 3.31Å; L12-F15 PolarHBondContact O-N 3.02Å; L12-C16 PolarHBondContact O-N 3.3Å; L12-C16 PolarHBondContact O-SG 3.17Å
13	L	80.7	Confident	74.5	Confident	113 Å²	113	114.2 Å²	114.2	59%	0.592	58%	0.575	S	S	*	*	H	α-helix	trans	-67.2	-43.4	-179.4	-149.3	110.4	0	0	0	111.4	L9 G10 F15 C16 I17	L9-L13 PolarHBondContact O-N 3.13Å; G10-L13 PolarHBondContact O-N 3.49Å; L13-F15 VanDerWaalsContact C-N 3.32Å; L13-F15 PolarHBondContact O-N 3.17Å; L13-C16 PolarHBondContact O-N 2.85Å; L13-I17 HydrophobicContact CD2-CD1 4.1Å; L13-I17 WeakPolarHBondContact O-CG1 3.33Å; L13-I17 PolarHBondContact O-N 2.83Å
14	V	82.4	Confident	74.7	Confident	84 Å²	84	114.5 Å²	114.5	51%	0.509	57%	0.566	S	S	.	*	H	α-helix	trans	-61.7	-41.7	175.2	173.5	0	0	0	0	110.9	G10 C16 I17 I18	G10-V14 WeakPolarHBondContact O-CG2 3.36Å; G10-V14 PolarHBondContact O-N 2.84Å; G10-V14 VanDerWaalsContact O-N 3.08Å; V14-C16 PolarHBondContact O-N 2.92Å; V14-I17 PolarHBondContact O-N 3.08Å; V14-I18 HydrophobicContact CG1-CD1 3.88Å; V14-I18 WeakPolarHBondContact O-CG1 3.34Å; V14-I18 PolarHBondContact O-N 3.3Å
15	F	82.9	Confident	74.5	Confident	142 Å²	142	108.2 Å²	108.2	62%	0.623	55%	0.549	S	S	*	.	H	α-helix	trans	-63.4	-42.1	177	-168.7	-95.8	0	0	0	112.2	S11 L12 L13 I17 I18 V19	S11-F15 WeakPolarHBondContact O-CB 3.29Å; S11-F15 PolarHBondContact O-N 3.28Å; S11-F15 VanDerWaalsContact O-N 3.07Å; L12-F15 PolarHBondContact O-N 3.02Å; L13-F15 VanDerWaalsContact C-N 3.32Å; L13-F15 PolarHBondContact O-N 3.17Å; F15-I17 PolarHBondContact O-N 3.49Å; F15-I18 PolarHBondContact O-N 3.1Å; F15-V19 HydrophobicContact CD1-CG2 4.15Å; F15-V19 HydrophobicContact CE1-CG2 3.85Å; F15-V19 HydrophobicContact CZ-CG2 4.27Å; F15-V19 WeakPolarHBondContact O-CG2 3.09Å; F15-V19 PolarHBondContact O-N 2.83Å
16	C	80.1	Confident	74	Confident	68 Å²	68	109.7 Å²	109.7	46%	0.459	55%	0.553	S	S	.	*	H	α-helix	trans	-62.2	-41.8	175.5	-74.2	0	0	0	0	112.5	L12 L13 V14 V19 I20	L12-C16 PolarHBondContact O-N 3.3Å; L12-C16 PolarHBondContact O-SG 3.17Å; L13-C16 PolarHBondContact O-N 2.85Å; V14-C16 PolarHBondContact O-N 2.92Å; C16-V19 PolarHBondContact O-N 3.43Å; C16-I20 WeakPolarHBondContact O-CG1 3.47Å; C16-I20 PolarHBondContact O-N 2.83Å; C16-I20 VanDerWaalsContact O-N 3.09Å
17	I	81.8	Confident	73.2	Confident	87 Å²	87	108.2 Å²	108.2	45%	0.446	55%	0.545	S	S	.	.	H	α-helix	trans	-64.2	-43.5	178.1	-67.6	167.9	0	0	0	110.7	L13 V14 F15 V19 I20 I21	L13-I17 HydrophobicContact CD2-CD1 4.1Å; L13-I17 WeakPolarHBondContact O-CG1 3.33Å; L13-I17 PolarHBondContact O-N 2.83Å; V14-I17 PolarHBondContact O-N 3.08Å; F15-I17 PolarHBondContact O-N 3.49Å; I17-V19 VanDerWaalsContact C-N 3.34Å; I17-V19 PolarHBondContact O-N 2.79Å; I17-I20 PolarHBondContact O-N 2.82Å; I17-I21 HydrophobicContact CG2-CD1 3.75Å; I17-I21 HydrophobicContact CG2-CG1 4.42Å; I17-I21 WeakPolarHBondContact O-CG1 3.12Å; I17-I21 PolarHBondContact O-N 2.92Å
18	I	82.1	Confident	71.8	Confident	83 Å²	83	103.1 Å²	103.1	43%	0.426	53%	0.532	S	S	.	.	H	α-helix	trans	-61.6	-41.9	177.3	-68.7	168.8	0	0	0	111.1	V14 F15 I20 I21 I22	V14-I18 HydrophobicContact CG1-CD1 3.88Å; V14-I18 WeakPolarHBondContact O-CG1 3.34Å; V14-I18 PolarHBondContact O-N 3.3Å; F15-I18 PolarHBondContact O-N 3.1Å; I18-I20 PolarHBondContact O-N 3.13Å; I18-I21 PolarHBondContact O-N 2.89Å; I18-I22 HydrophobicContact CG2-CD1 3.7Å; I18-I22 HydrophobicContact CG2-CG1 4.36Å; I18-I22 VanDerWaalsContact O-CG1 3.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.33Å; I18-I22 PolarHBondContact O-N 3.07Å
19	V	80.3	Confident	70.2	Confident	76 Å²	76	100.4 Å²	100.4	46%	0.461	53%	0.528	S	S	.	.	H	α-helix	trans	-64.7	-39.7	178.7	172.2	0	0	0	0	111.6	F15 C16 I17 I22 Y23	F15-V19 HydrophobicContact CD1-CG2 4.15Å; F15-V19 HydrophobicContact CE1-CG2 3.85Å; F15-V19 HydrophobicContact CZ-CG2 4.27Å; F15-V19 WeakPolarHBondContact O-CG2 3.09Å; F15-V19 PolarHBondContact O-N 2.83Å; C16-V19 PolarHBondContact O-N 3.43Å; I17-V19 VanDerWaalsContact C-N 3.34Å; I17-V19 PolarHBondContact O-N 2.79Å; V19-I22 PolarHBondContact O-N 3.28Å; V19-Y23 WeakPolarHBondContact O-CB 3.1Å; V19-Y23 PolarHBondContact O-N 2.83Å
20	I	79	Confident	68.4	Low	106 Å²	106	104.1 Å²	104.1	54%	0.544	54%	0.54	S	S	.	.	H	α-helix	trans	-66.1	-44.6	176.8	-67.2	167.1	0	0	0	110.5	C16 I17 I18 I22 Y23 E24	C16-I20 WeakPolarHBondContact O-CG1 3.47Å; C16-I20 PolarHBondContact O-N 2.83Å; C16-I20 VanDerWaalsContact O-N 3.09Å; I17-I20 PolarHBondContact O-N 2.82Å; I18-I20 PolarHBondContact O-N 3.13Å; I20-I22 PolarHBondContact O-N 2.92Å; I20-Y23 WeakPolarHBondContact O-CB 2.99Å; I20-Y23 PolarHBondContact O-N 3.43Å; I20-Y23 VanDerWaalsContact O-N 3.15Å; I20-E24 PolarHBondContact O-N 2.87Å
21	I	74.9	Confident	66.3	Low	91 Å²	91	112 Å²	112	47%	0.467	56%	0.56	S	S	.	*	H	α-helix	trans	-62.4	-43.3	177.7	-67.8	169.4	0	0	0	111	I17 I18 Y23 E24 I25	I17-I21 HydrophobicContact CG2-CD1 3.75Å; I17-I21 HydrophobicContact CG2-CG1 4.42Å; I17-I21 WeakPolarHBondContact O-CG1 3.12Å; I17-I21 PolarHBondContact O-N 2.92Å; I18-I21 PolarHBondContact O-N 2.89Å; I21-Y23 VanDerWaalsContact C-N 3.28Å; I21-Y23 PolarHBondContact O-N 3.5Å; I21-E24 PolarHBondContact O-N 3Å; I21-I25 HydrophobicContact CG2-CD1 3.61Å; I21-I25 HydrophobicContact CG2-CG1 4.27Å; I21-I25 WeakPolarHBondContact O-CB 3.42Å; I21-I25 WeakPolarHBondContact O-CG1 3.35Å; I21-I25 PolarHBondContact O-N 3.16Å
22	I	72.8	Confident	64	Low	94 Å²	94	113.7 Å²	113.7	48%	0.482	57%	0.57	S	S	.	*	H	α-helix	trans	-64.2	-35.9	176.2	-68.4	169.7	0	0	0	111.2	I18 V19 I20 R26	I18-I22 HydrophobicContact CG2-CD1 3.7Å; I18-I22 HydrophobicContact CG2-CG1 4.36Å; I18-I22 VanDerWaalsContact O-CG1 3.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.33Å; I18-I22 PolarHBondContact O-N 3.07Å; V19-I22 PolarHBondContact O-N 3.28Å; I20-I22 PolarHBondContact O-N 2.92Å; I22-R26 WeakPolarHBondContact O-CB 3.46Å; I22-R26 PolarHBondContact O-N 3.02Å
23	Y	70.1	Confident	61.8	Low	161 Å²	161	113.5 Å²	113.5	63%	0.631	58%	0.576	S	S	*	*	H	α-helix	trans	-68.1	-44.1	177.6	-166	-102.3	0	0	0	111.7	V19 I20 I21 R26 L27	V19-Y23 WeakPolarHBondContact O-CB 3.1Å; V19-Y23 PolarHBondContact O-N 2.83Å; I20-Y23 WeakPolarHBondContact O-CB 2.99Å; I20-Y23 PolarHBondContact O-N 3.43Å; I20-Y23 VanDerWaalsContact O-N 3.15Å; I21-Y23 VanDerWaalsContact C-N 3.28Å; I21-Y23 PolarHBondContact O-N 3.5Å; Y23-R26 PolarHBondContact O-N 3.35Å; Y23-L27 HydrophobicContact CD1-CD1 3.59Å; Y23-L27 HydrophobicContact CE1-CD1 3.34Å; Y23-L27 HydrophobicContact CG-CD1 4.49Å; Y23-L27 PolarHBondContact O-N 3.3Å
24	E	64.7	Low	59.5	Low	116 Å²	116	119.5 Å²	119.5	54%	0.542	59%	0.593	S	S	.	*	H	α-helix	trans	-65.4	-41.4	174.8	-74.5	-64.5	157.3	0	0	112.2	I20 I21 R26 L27 S28	I20-E24 PolarHBondContact O-N 2.87Å; I21-E24 PolarHBondContact O-N 3Å; E24-R26 VanDerWaalsContact C-N 3.29Å; E24-R26 PolarHBondContact O-N 2.99Å; E24-L27 PolarHBondContact O-N 2.7Å; E24-L27 VanDerWaalsContact O-N 3.14Å; E24-S28 PolarHBondContact O-N 2.82Å; E24-S28 PolarHBondContact O-OG 3.07Å
25	I	60.7	Low	57.1	Low	91 Å²	91	118.9 Å²	118.9	47%	0.467	60%	0.603	S	S	.	*	H	α-helix	trans	-63.3	-36.8	173.6	-67.8	169.1	0	0	0	110.8	I21 L27 S28 T29	I21-I25 HydrophobicContact CG2-CD1 3.61Å; I21-I25 HydrophobicContact CG2-CG1 4.27Å; I21-I25 WeakPolarHBondContact O-CB 3.42Å; I21-I25 WeakPolarHBondContact O-CG1 3.35Å; I21-I25 PolarHBondContact O-N 3.16Å; I25-L27 VanDerWaalsContact C-N 3.35Å; I25-S28 WeakPolarHBondContact CA-OG 3.34Å; I25-S28 PolarHBondContact O-N 3.1Å; I25-S28 PolarHBondContact O-OG 3.07Å; I25-S28 VanDerWaalsContact O-OG 3.13Å; I25-T29 HydrophobicContact CG2-CG2 4.32Å; I25-T29 WeakPolarHBondContact O-CB 3.44Å; I25-T29 WeakPolarHBondContact O-CG2 3.47Å; I25-T29 PolarHBondContact O-N 3.07Å; I25-T29 PolarHBondContact O-OG1 2.7Å
26	R	50.7	Low	54.3	Low	183 Å²	183	121.2 Å²	121.2	69%	0.691	62%	0.617	S	S	*	*	H	α-helix	trans	-68.4	-32.2	173.7	-88.6	-168.8	176.3	-154.9	-0.4	113.1	I22 Y23 E24 T29 F30	I22-R26 WeakPolarHBondContact O-CB 3.46Å; I22-R26 PolarHBondContact O-N 3.02Å; Y23-R26 PolarHBondContact O-N 3.35Å; E24-R26 VanDerWaalsContact C-N 3.29Å; E24-R26 PolarHBondContact O-N 2.99Å; R26-T29 WeakPolarHBondContact CA-OG1 3.38Å; R26-T29 PolarHBondContact O-OG1 2.94Å; R26-F30 WeakPolarHBondContact O-CD2 3.44Å
27	L	47.9	Very low	52	Low	96 Å²	96	127 Å²	127	50%	0.503	64%	0.637	S	S	.	*	H	α-helix	trans	-72.4	-38.4	174.3	-94	143.1	0	0	0	111.8	Y23 E24 I25	Y23-L27 HydrophobicContact CD1-CD1 3.59Å; Y23-L27 HydrophobicContact CE1-CD1 3.34Å; Y23-L27 HydrophobicContact CG-CD1 4.49Å; Y23-L27 PolarHBondContact O-N 3.3Å; E24-L27 PolarHBondContact O-N 2.7Å; E24-L27 VanDerWaalsContact O-N 3.14Å; I25-L27 VanDerWaalsContact C-N 3.35Å
28	S	42.1	Very low	49.5	Very low	68 Å²	68	129.2 Å²	129.2	48%	0.476	65%	0.654	S	S	.	*	H	α-helix	trans	-76.8	-26.9	178.7	63.9	0	0	0	0	113.6	E24 I25 F30 Y31	E24-S28 PolarHBondContact O-N 2.82Å; E24-S28 PolarHBondContact O-OG 3.07Å; I25-S28 WeakPolarHBondContact CA-OG 3.34Å; I25-S28 PolarHBondContact O-N 3.1Å; I25-S28 PolarHBondContact O-OG 3.07Å; I25-S28 VanDerWaalsContact O-OG 3.13Å; S28-F30 PolarHBondContact O-N 2.5Å; S28-Y31 PolarHBondContact O-N 2.93Å
29	T	38.1	Very low	46.8	Very low	99 Å²	99	133 Å²	133	61%	0.607	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-4.5	176.1	43.2	0	0	0	0	114.8	I25 R26 Y31	I25-T29 HydrophobicContact CG2-CG2 4.32Å; I25-T29 WeakPolarHBondContact O-CB 3.44Å; I25-T29 WeakPolarHBondContact O-CG2 3.47Å; I25-T29 PolarHBondContact O-N 3.07Å; I25-T29 PolarHBondContact O-OG1 2.7Å; R26-T29 WeakPolarHBondContact CA-OG1 3.38Å; R26-T29 PolarHBondContact O-OG1 2.94Å; T29-Y31 PolarHBondContact O-N 2.96Å
30	F	34.8	Very low	44.4	Very low	185 Å²	185	136.7 Å²	136.7	81%	0.811	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	4	166.7	-90.9	-78.3	0	0	0	114	R26 S28 C32	R26-F30 WeakPolarHBondContact O-CD2 3.44Å; S28-F30 PolarHBondContact O-N 2.5Å; F30-C32 PolarHBondContact O-N 3.2Å
31	Y	29.3	Very low	42	Very low	202 Å²	202	141.4 Å²	141.4	79%	0.792	71%	0.706	S	S	*	*	S	Bend	trans	-74.9	104.1	165.8	-90.9	-92	0	0	0	110.5	S28 T29	S28-Y31 PolarHBondContact O-N 2.93Å; T29-Y31 PolarHBondContact O-N 2.96Å
32	C	29.5	Very low	39.7	Very low	117 Å²	117	140.3 Å²	140.3	79%	0.791	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-55.2	129.1	167.6	-86	0	0	0	0	110.4	F30	F30-C32 PolarHBondContact O-N 3.2Å
33	P	32.7	Very low	37.7	Very low	121 Å²	121	144.9 Å²	144.9	79%	0.786	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-79.7	127.3	-177.4	31.6	-31.1	0	0	0	110.1
34	Y	32.1	Very low	35.8	Very low	239 Å²	239	146.8 Å²	146.8	94%	0.937	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-75.4	126.7	158.3	-93.7	-92.6	0	0	0	108.2
35	G	31.6	Very low	34	Very low	71 Å²	71	146.6 Å²	146.6	73%	0.732	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-68.3	156	-168	0	0	0	0	0	115.6
36	E	25.3	Very low	32.5	Very low	192 Å²	192	148.4 Å²	148.4	90%	0.897	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-51.8	134.2	171	-64.9	165.2	141.2	0	0	112.5
37	Q	30.7	Very low	31.6	Very low	189 Å²	189	144 Å²	144	88%	0.883	78%	0.78	S	S	*	*			trans	-129.5	118.1	151.7	-77.9	-167.5	-11.3	0	0	109.9
38	T	29.4	Very low	30.8	Very low	133 Å²	133	146.8 Å²	146.8	82%	0.816	79%	0.794	S	S	*	*			trans	-64.5	123.2	179.7	-16.6	0	0	0	0	110.3	I40	T38-I40 PolarHBondContact O-N 2.91Å
39	I	27	Very low	30.5	Very low	162 Å²	162	148.8 Å²	148.8	83%	0.831	80%	0.803	S	S	*	*			trans	-80.1	106.1	178	-59.6	172	0	0	0	108.5
40	I	30.1	Very low	30.5	Very low	155 Å²	155	150.9 Å²	150.9	80%	0.795	81%	0.811	S	S	*	*			trans	-100.6	129.1	162.6	-62.1	178.3	0	0	0	108.1	T38	T38-I40 PolarHBondContact O-N 2.91Å
41	K	26.7	Very low	30.5	Very low	204 Å²	204	150.2 Å²	150.2	89%	0.887	81%	0.81	S	S	*	*			trans	-61.1	138.5	-178.2	-66.9	172.1	173.7	177.5	0	112.2
42	G	28.1	Very low	31.2	Very low	69 Å²	69	145.9 Å²	145.9	71%	0.711	81%	0.805	S	S	*	*			trans	123.6	124.3	156.3	0	0	0	0	0	113.5
43	E	30.9	Very low	32.2	Very low	190 Å²	190	146 Å²	146	89%	0.888	80%	0.801	S	S	*	*			trans	89.8	129	166.7	-57.9	-173.9	158.9	0	0	118.4	C45	E43-C45 PolarHBondContact O-N 3.2Å
44	H	29.2	Very low	33.3	Very low	200 Å²	200	147.2 Å²	147.2	93%	0.926	80%	0.801	S	S	*	*			trans	-61.5	87.2	179.9	-78.5	-80.2	0	0	0	111.6
45	C	27.5	Very low	34.6	Very low	112 Å²	112	144.3 Å²	144.3	76%	0.757	79%	0.793	S	S	*	*			trans	-88.7	112.7	152.2	-73.2	0	0	0	0	107.7	E43 A47	E43-C45 PolarHBondContact O-N 3.2Å; C45-A47 PolarHBondContact O-N 3.45Å
46	T	29.2	Very low	37.1	Very low	129 Å²	129	144.2 Å²	144.2	79%	0.791	78%	0.78	S	S	*	*			trans	-32.5	122.7	161.7	37.6	0	0	0	0	109.2	I48	T46-I48 PolarHBondContact O-N 2.99Å
47	A	31.5	Very low	40.2	Very low	92 Å²	92	138.4 Å²	138.4	76%	0.76	75%	0.751	S	S	*	*			trans	-42.3	105.9	177.8	0	0	0	0	0	107.7	C45 T49	C45-A47 PolarHBondContact O-N 3.45Å; A47-T49 PolarHBondContact O-N 3.48Å
48	I	31.9	Very low	43.1	Very low	154 Å²	154	137 Å²	137	79%	0.79	74%	0.738	S	S	*	*			trans	-57.7	98.1	155.9	-63	172.5	0	0	0	100.2	T46 N50	T46-I48 PolarHBondContact O-N 2.99Å; I48-N50 VanDerWaalsContact C-N 3.34Å; I48-N50 PolarHBondContact O-N 2.88Å
49	T	35.1	Very low	46.2	Very low	110 Å²	110	139.1 Å²	139.1	68%	0.675	74%	0.736	S	S	*	*			trans	-42.9	114.7	169.1	18.3	0	0	0	0	102.5	A47 Q51	A47-T49 PolarHBondContact O-N 3.48Å; T49-Q51 PolarHBondContact O-N 3.45Å
50	N	37.7	Very low	49.4	Very low	143 Å²	143	134.3 Å²	134.3	77%	0.765	71%	0.712	S	S	*	*			trans	-48.1	102	163.4	-87.3	-24.1	0	0	0	102.4	I48 T52	I48-N50 VanDerWaalsContact C-N 3.34Å; I48-N50 PolarHBondContact O-N 2.88Å; N50-T52 PolarHBondContact O-N 3.25Å; N50-T52 PolarHBondContact O-OG1 3.25Å
51	Q	35.6	Very low	52.6	Low	171 Å²	171	131.2 Å²	131.2	80%	0.799	70%	0.7	S	S	*	*			trans	-63.7	80.3	155.7	-76.2	-179.2	-14.9	0	0	100.8	T49 V53	T49-Q51 PolarHBondContact O-N 3.45Å; Q51-V53 PolarHBondContact O-N 2.8Å
52	T	43.7	Very low	55.9	Low	111 Å²	111	122.1 Å²	122.1	68%	0.681	66%	0.662	S	S	*	*			trans	-50.4	87.4	140.2	39.2	0	0	0	0	101.7	N50 L54	N50-T52 PolarHBondContact O-N 3.25Å; N50-T52 PolarHBondContact O-OG1 3.25Å; T52-L54 PolarHBondContact O-N 2.88Å
53	V	49.5	Very low	59.1	Low	118 Å²	118	124.8 Å²	124.8	72%	0.715	66%	0.656	S	S	*	*			trans	-50.3	102.2	165	175	0	0	0	0	101.1	Q51 F55	Q51-V53 PolarHBondContact O-N 2.8Å; V53-F55 PolarHBondContact O-N 3.21Å
54	L	55.8	Low	62.1	Low	148 Å²	148	116.7 Å²	116.7	78%	0.775	62%	0.618	S	S	*	*			trans	-50.8	114	-178.4	-100.8	122.7	0	0	0	103.5	T52 P56	T52-L54 PolarHBondContact O-N 2.88Å; L54-P56 WeakPolarHBondContact O-CD 3.28Å
55	F	60.9	Low	65.2	Low	178 Å²	178	112.7 Å²	112.7	78%	0.781	60%	0.604	S	S	*	*			trans	-55.2	111.6	168.8	-115.1	-93.1	0	0	0	103.4	V53 F57	V53-F55 PolarHBondContact O-N 3.21Å; F55-F57 PolarHBondContact O-N 2.9Å
56	P	82.8	Confident	68.3	Low	69 Å²	69	109.7 Å²	109.7	45%	0.448	59%	0.592	S	S	.	*	S	Bend	trans	-74.8	18.1	-168.4	30.4	-33.5	0	0	0	111.2	L54 N75	L54-P56 WeakPolarHBondContact O-CD 3.28Å; P56-N75 VanDerWaalsContact O-CA 3.28Å; P56-N75 WeakPolarHBondContact O-CA 3.31Å; P56-N75 WeakPolarHBondContact O-CB 3.34Å
57	F	91.2	Very high	71.3	Confident	70 Å²	70	112 Å²	112	31%	0.307	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.6	133.5	-173.5	-66	-74.8	0	0	0	109.8	F55 L73 T74 N75 F81	F55-F57 PolarHBondContact O-N 2.9Å; F57-L73 HydrophobicContact CB-CB 4.26Å; F57-L73 HydrophobicContact CB-CD1 4.44Å; F57-L73 HydrophobicContact CB-CD2 4.4Å; F57-L73 HydrophobicContact CD1-CB 4.19Å; F57-T74 CarbonylContact C-O 3.59Å; F57-T74 VanDerWaalsContact CA-O 3.23Å; F57-T74 WeakPolarHBondContact CA-O 3.25Å; F57-N75 HydrophobicContact CD1-CB 4.11Å; F57-N75 HydrophobicContact CE1-CB 3.98Å; F57-F81 HydrophobicContact CD1-CD2 4.08Å; F57-F81 HydrophobicContact CD1-CE2 4.28Å; F57-F81 HydrophobicContact CE1-CD1 4.47Å; F57-F81 AromaticContact CE1-CD2 3.61Å; F57-F81 HydrophobicContact CE1-CD2 3.61Å; F57-F81 HydrophobicContact CE1-CE1 4.33Å; F57-F81 AromaticContact CE1-CE2 3.5Å; F57-F81 HydrophobicContact CE1-CE2 3.5Å; F57-F81 VanDerWaalsContact CE1-CE2 3.5Å; F57-F81 HydrophobicContact CE1-CG 4.14Å; F57-F81 AromaticContact CE1-CZ 3.88Å; F57-F81 HydrophobicContact CE1-CZ 3.88Å; F57-F81 HydrophobicContact CZ-CE2 4.44Å; F57-F81 HydrophobicContact CZ-CZ 4.41Å
58	R	92.3	Very high	74.2	Confident	159 Å²	159	113 Å²	113	60%	0.6	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112	142.1	173.5	-54.9	177.1	-160.7	179.4	6.9	108.8	L73 T74 D76	R58-L73 CarbonylContact O-C 3.53Å; R58-L73 VanDerWaalsContact O-CA 3.31Å; R58-L73 WeakPolarHBondContact O-CA 3.3Å; R58-T74 HydrophobicContact CB-CG2 4.11Å; R58-T74 PolarHBondContact N-O 2.81Å; R58-T74 PolarHBondContact O-N 2.88Å; R58-D76 IonicContact CZ-OD1 3.6Å; R58-D76 IonicContact NE-OD1 3.76Å; R58-D76 IonicContact NH2-OD1 2.78Å; R58-D76 PolarHBondContact NH2-OD1 3.48Å
59	F	93.9	Very high	77.2	Confident	178 Å²	178	112.9 Å²	112.9	78%	0.781	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.5	133.9	174.1	-71.8	-84.6	0	0	0	110.6	C72 L73	F59-C72 WeakPolarHBondContact CA-O 3.38Å; F59-L73 HydrophobicContact CD1-CD2 3.55Å; F59-L73 HydrophobicContact CD2-CD2 4.38Å; F59-L73 HydrophobicContact CE1-CD2 3.58Å; F59-L73 HydrophobicContact CE2-CD2 4.4Å; F59-L73 HydrophobicContact CG-CD2 3.98Å; F59-L73 HydrophobicContact CZ-CD2 4.02Å
60	I	94.9	Very high	80	Confident	61 Å²	61	108.1 Å²	108.1	31%	0.313	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.8	172.9	56.1	159.8	0	0	0	109.4	C72 T74 V80	I60-C72 HydrophobicContact CD1-CB 4.35Å; I60-C72 HydrophobicContact CG1-CB 3.87Å; I60-C72 PolarHBondContact N-O 3.09Å; I60-C72 CarbonylContact O-C 3.51Å; I60-C72 WeakPolarHBondContact O-CA 3.36Å; I60-C72 PolarHBondContact O-N 2.78Å; I60-C72 VanDerWaalsContact O-O 3.07Å; I60-T74 HydrophobicContact CD1-CG2 4.32Å; I60-T74 HydrophobicContact CG1-CG2 4.35Å; I60-T74 HydrophobicContact CG2-CG2 3.64Å; I60-V80 HydrophobicContact CD1-CG1 4.03Å; I60-V80 HydrophobicContact CD1-CG2 3.98Å
61	T	95.9	Very high	82.8	Confident	90 Å²	90	107.3 Å²	107.3	55%	0.552	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.2	174	-55.4	0	0	0	0	109.7	K69	T61-K69 HydrophobicContact CG2-CB 3.81Å; T61-K69 HydrophobicContact CG2-CD 4.05Å; T61-K69 HydrophobicContact CG2-CG 3.99Å
62	C	95.9	Very high	85.7	Confident	12 Å²	12	99.2 Å²	99.2	8%	0.081	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.1	168.3	-65.2	0	0	0	0	110.4	I64 K69 V70 C72 M82	C62-I64 HydrophobicContact CB-CD1 4.09Å; C62-K69 CarbonylContact O-C 3.6Å; C62-K69 WeakPolarHBondContact O-CA 3.16Å; C62-V70 HydrophobicContact CB-CB 4.4Å; C62-V70 PolarHBondContact N-O 2.74Å; C62-V70 PolarHBondContact O-N 2.82Å; C62-C72 HydrophobicContact CB-CB 4.13Å; C62-C72 WeakPolarHBondContact CB-SG 3.08Å; C62-C72 WeakPolarHBondContact SG-CB 3.39Å; C62-C72 CovalentContact SG-SG 2.03Å; C62-C72 PolarHBondContact SG-SG 2.88Å; C62-M82 HydrophobicContact CB-CE 4.49Å
63	E	95.7	Very high	88.2	Confident	126 Å²	126	96.6 Å²	96.6	59%	0.589	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	114.8	170.5	-175.4	163.5	-154.7	0	0	110.3	G66	E63-G66 WeakPolarHBondContact OE1-CA 3.48Å
64	I	94.9	Very high	90.3	Very high	20 Å²	20	91.7 Å²	91.7	10%	0.103	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	110.9	-176.5	-47.8	-58.6	0	0	0	108.8	C62 G66 H67 R68 V70 M82 F87 Y91	C62-I64 HydrophobicContact CB-CD1 4.09Å; I64-G66 PolarHBondContact O-N 3.46Å; I64-H67 PolarHBondContact O-N 2.87Å; I64-H67 VanDerWaalsContact O-N 3.12Å; I64-R68 HydrophobicContact CB-CB 4.44Å; I64-R68 PolarHBondContact N-O 3.35Å; I64-R68 PolarHBondContact O-N 2.87Å; I64-V70 HydrophobicContact CG1-CG2 3.94Å; I64-M82 HydrophobicContact CD1-CE 4.35Å; I64-M82 HydrophobicContact CD1-SD 4.4Å; I64-F87 HydrophobicContact CB-CE2 4.33Å; I64-F87 HydrophobicContact CB-CZ 4.38Å; I64-F87 HydrophobicContact CD1-CE1 3.97Å; I64-F87 HydrophobicContact CD1-CE2 4.18Å; I64-F87 HydrophobicContact CD1-CZ 3.63Å; I64-F87 HydrophobicContact CG1-CD2 4.45Å; I64-F87 HydrophobicContact CG1-CE1 4.4Å; I64-F87 HydrophobicContact CG1-CE2 3.72Å; I64-F87 HydrophobicContact CG1-CZ 3.7Å; I64-F87 HydrophobicContact CG2-CE2 3.93Å; I64-F87 HydrophobicContact CG2-CZ 3.82Å; I64-Y91 HydrophobicContact CG2-CE2 3.87Å
65	N	94.1	Very high	92	Very high	116 Å²	116	86 Å²	86	62%	0.62	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	26.4	-178.7	-53.6	-31.8	0	0	0	114.4	H67 Y91	N65-H67 PolarHBondContact O-CD2 3.04Å; N65-H67 PolarHBondContact O-N 3.37Å; N65-H67 PolarHBondContact O-NE2 2.77Å; N65-Y91 PolarHBondContact ND2-OH 3.48Å
66	G	92.8	Very high	93.4	Very high	49 Å²	49	82.6 Å²	82.6	51%	0.505	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	4.7	-178.3	0	0	0	0	0	115.9	E63 I64	E63-G66 WeakPolarHBondContact OE1-CA 3.48Å; I64-G66 PolarHBondContact O-N 3.46Å
67	H	90.9	Very high	93.8	Very high	178 Å²	178	84.2 Å²	84.2	82%	0.824	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-23	-174	-60.5	-51.8	0	0	0	113.7	I64 N65	I64-H67 PolarHBondContact O-N 2.87Å; I64-H67 VanDerWaalsContact O-N 3.12Å; N65-H67 PolarHBondContact O-CD2 3.04Å; N65-H67 PolarHBondContact O-N 3.37Å; N65-H67 PolarHBondContact O-NE2 2.77Å
68	R	92.2	Very high	93.8	Very high	113 Å²	113	88 Å²	88	43%	0.426	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	131	-173.5	-177.5	177.9	179.6	-169.2	-4.2	110.6	I64 V70 G86	I64-R68 HydrophobicContact CB-CB 4.44Å; I64-R68 PolarHBondContact N-O 3.35Å; I64-R68 PolarHBondContact O-N 2.87Å; R68-V70 HydrophobicContact CG-CG2 4.25Å; R68-G86 PolarHBondContact NH2-O 3.32Å
69	K	95	Very high	93.9	Very high	150 Å²	150	86 Å²	86	65%	0.652	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	140.6	170.4	-66.5	-179	178.6	-175.4	0	110.1	T61 C62	T61-K69 HydrophobicContact CG2-CB 3.81Å; T61-K69 HydrophobicContact CG2-CD 4.05Å; T61-K69 HydrophobicContact CG2-CG 3.99Å; C62-K69 CarbonylContact O-C 3.6Å; C62-K69 WeakPolarHBondContact O-CA 3.16Å
70	V	95.3	Very high	93.9	Very high	10 Å²	10	80.8 Å²	80.8	6%	0.061	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133	179.4	178.3	0	0	0	0	108.7	C62 I64 R68 C72 P83 F87	C62-V70 HydrophobicContact CB-CB 4.4Å; C62-V70 PolarHBondContact N-O 2.74Å; C62-V70 PolarHBondContact O-N 2.82Å; I64-V70 HydrophobicContact CG1-CG2 3.94Å; R68-V70 HydrophobicContact CG-CG2 4.25Å; V70-C72 PolarHBondContact O-N 2.79Å; V70-P83 HydrophobicContact CG1-CG 3.45Å; V70-P83 VanDerWaalsContact CG1-CG 3.45Å; V70-F87 HydrophobicContact CG1-CB 3.82Å; V70-F87 HydrophobicContact CG1-CG 4.21Å; V70-F87 HydrophobicContact CG2-CB 4.23Å; V70-F87 HydrophobicContact CG2-CD2 3.82Å; V70-F87 HydrophobicContact CG2-CE2 4.42Å; V70-F87 HydrophobicContact CG2-CG 4.03Å
71	D	95.3	Very high	93.9	Very high	126 Å²	126	81.5 Å²	81.5	67%	0.674	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	117.1	174.3	-57.6	-38.9	0	0	0	109.7	P83	D71-P83 WeakPolarHBondContact O-CD 3.46Å; D71-P83 WeakPolarHBondContact O-CG 3.37Å
72	C	96.4	Very high	93.9	Very high	1 Å²	1	81 Å²	81	1%	0.007	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	170.4	-175.2	-73.4	0	0	0	0	110.7	F59 I60 C62 V70 V80 F81	F59-C72 WeakPolarHBondContact CA-O 3.38Å; I60-C72 HydrophobicContact CD1-CB 4.35Å; I60-C72 HydrophobicContact CG1-CB 3.87Å; I60-C72 PolarHBondContact N-O 3.09Å; I60-C72 CarbonylContact O-C 3.51Å; I60-C72 WeakPolarHBondContact O-CA 3.36Å; I60-C72 PolarHBondContact O-N 2.78Å; I60-C72 VanDerWaalsContact O-O 3.07Å; C62-C72 HydrophobicContact CB-CB 4.13Å; C62-C72 WeakPolarHBondContact CB-SG 3.08Å; C62-C72 WeakPolarHBondContact SG-CB 3.39Å; C62-C72 CovalentContact SG-SG 2.03Å; C62-C72 PolarHBondContact SG-SG 2.88Å; V70-C72 PolarHBondContact O-N 2.79Å; C72-V80 HydrophobicContact CB-CG1 4.33Å; C72-F81 WeakPolarHBondContact CA-O 3.48Å; C72-F81 WeakPolarHBondContact CB-O 3.23Å
73	L	95.7	Very high	93.9	Very high	57 Å²	57	82.7 Å²	82.7	30%	0.298	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	148.8	172.8	-59.3	171	0	0	0	109.5	F57 R58 F59 V80 F81	F57-L73 HydrophobicContact CB-CB 4.26Å; F57-L73 HydrophobicContact CB-CD1 4.44Å; F57-L73 HydrophobicContact CB-CD2 4.4Å; F57-L73 HydrophobicContact CD1-CB 4.19Å; R58-L73 CarbonylContact O-C 3.53Å; R58-L73 VanDerWaalsContact O-CA 3.31Å; R58-L73 WeakPolarHBondContact O-CA 3.3Å; F59-L73 HydrophobicContact CD1-CD2 3.55Å; F59-L73 HydrophobicContact CD2-CD2 4.38Å; F59-L73 HydrophobicContact CE1-CD2 3.58Å; F59-L73 HydrophobicContact CE2-CD2 4.4Å; F59-L73 HydrophobicContact CG-CD2 3.98Å; F59-L73 HydrophobicContact CZ-CD2 4.02Å; L73-V80 CarbonylContact O-C 3.55Å; L73-V80 WeakPolarHBondContact O-CA 3.48Å; L73-F81 HydrophobicContact CB-CB 4.19Å; L73-F81 PolarHBondContact N-O 3.49Å; L73-F81 PolarHBondContact O-N 3.1Å
74	T	94.8	Very high	93.9	Very high	14 Å²	14	78.2 Å²	78.2	9%	0.086	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.1	167.8	-172.1	0	0	0	0	109.9	F57 R58 I60 E79	F57-T74 CarbonylContact C-O 3.59Å; F57-T74 VanDerWaalsContact CA-O 3.23Å; F57-T74 WeakPolarHBondContact CA-O 3.25Å; R58-T74 HydrophobicContact CB-CG2 4.11Å; R58-T74 PolarHBondContact N-O 2.81Å; R58-T74 PolarHBondContact O-N 2.88Å; I60-T74 HydrophobicContact CD1-CG2 4.32Å; I60-T74 HydrophobicContact CG1-CG2 4.35Å; I60-T74 HydrophobicContact CG2-CG2 3.64Å; T74-E79 VanDerWaalsContact CA-O 3.29Å; T74-E79 WeakPolarHBondContact CA-O 3.49Å; T74-E79 PolarHBondContact OG1-O 2.6Å
75	N	91.8	Very high	93.8	Very high	28 Å²	28	82.5 Å²	82.5	15%	0.15	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	178.3	170.5	66.6	11.1	0	0	0	111.7	P56 F57 S77 M78 E79 F81	P56-N75 VanDerWaalsContact O-CA 3.28Å; P56-N75 WeakPolarHBondContact O-CA 3.31Å; P56-N75 WeakPolarHBondContact O-CB 3.34Å; F57-N75 HydrophobicContact CD1-CB 4.11Å; F57-N75 HydrophobicContact CE1-CB 3.98Å; N75-S77 PolarHBondContact O-N 2.73Å; N75-S77 WeakPolarHBondContact OD1-CA 3.33Å; N75-S77 WeakPolarHBondContact OD1-CB 3.37Å; N75-S77 PolarHBondContact OD1-N 3.44Å; N75-M78 PolarHBondContact O-N 2.83Å; N75-M78 PolarHBondContact OD1-N 3.38Å; N75-E79 PolarHBondContact N-O 2.7Å; N75-E79 WeakPolarHBondContact OD1-CB 3.41Å; N75-E79 PolarHBondContact OD1-N 3.23Å; N75-F81 HydrophobicContact CB-CE2 4.32Å
76	D	89.8	Confident	93.7	Very high	108 Å²	108	79.1 Å²	79.1	58%	0.578	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.9	177	-65.1	-37.6	0	0	0	113	R58 M78	R58-D76 IonicContact CZ-OD1 3.6Å; R58-D76 IonicContact NE-OD1 3.76Å; R58-D76 IonicContact NH2-OD1 2.78Å; R58-D76 PolarHBondContact NH2-OD1 3.48Å; D76-M78 VanDerWaalsContact C-N 3.26Å; D76-M78 PolarHBondContact O-N 3.08Å
77	S	91.3	Very high	93.8	Very high	103 Å²	103	77 Å²	77	72%	0.72	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	5.2	172.4	-51.8	0	0	0	0	113.8	N75 E79	N75-S77 PolarHBondContact O-N 2.73Å; N75-S77 WeakPolarHBondContact OD1-CA 3.33Å; N75-S77 WeakPolarHBondContact OD1-CB 3.37Å; N75-S77 PolarHBondContact OD1-N 3.44Å; S77-E79 PolarHBondContact O-N 2.74Å
78	M	90.1	Very high	93.9	Very high	150 Å²	150	70.1 Å²	70.1	74%	0.739	37%	0.366	S	S	*	.			trans	60.6	20.8	-175.3	-58.9	-67.3	177.2	0	0	114.4	N75 D76	N75-M78 PolarHBondContact O-N 2.83Å; N75-M78 PolarHBondContact OD1-N 3.38Å; D76-M78 VanDerWaalsContact C-N 3.26Å; D76-M78 PolarHBondContact O-N 3.08Å
79	E	94.8	Very high	94	Very high	115 Å²	115	68.4 Å²	68.4	54%	0.537	36%	0.361	S	S	.	.			trans	-78.7	131.8	171.6	-171.3	176	-170.5	0	0	109.7	T74 N75 S77 F81	T74-E79 VanDerWaalsContact CA-O 3.29Å; T74-E79 WeakPolarHBondContact CA-O 3.49Å; T74-E79 PolarHBondContact OG1-O 2.6Å; N75-E79 PolarHBondContact N-O 2.7Å; N75-E79 WeakPolarHBondContact OD1-CB 3.41Å; N75-E79 PolarHBondContact OD1-N 3.23Å; S77-E79 PolarHBondContact O-N 2.74Å; E79-F81 HydrophobicContact CB-CE2 3.88Å; E79-F81 HydrophobicContact CB-CZ 4.31Å; E79-F81 HydrophobicContact CG-CE2 3.86Å; E79-F81 HydrophobicContact CG-CZ 3.95Å; E79-F81 WeakPolarHBondContact O-CD2 3.45Å; E79-F81 VanDerWaalsContact O-CE2 3.31Å; E79-F81 WeakPolarHBondContact O-CE2 3.46Å
80	V	95	Very high	93.8	Very high	69 Å²	69	66.9 Å²	66.9	42%	0.418	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.1	-173.8	178.5	0	0	0	0	110.8	I60 C72 L73 M82	I60-V80 HydrophobicContact CD1-CG1 4.03Å; I60-V80 HydrophobicContact CD1-CG2 3.98Å; C72-V80 HydrophobicContact CB-CG1 4.33Å; L73-V80 CarbonylContact O-C 3.55Å; L73-V80 WeakPolarHBondContact O-CA 3.48Å; V80-M82 HydrophobicContact CG1-CE 4.33Å; V80-M82 HydrophobicContact CG1-CG 4.42Å
81	F	95	Very high	93.7	Very high	76 Å²	76	71.1 Å²	71.1	33%	0.333	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.9	178.8	-59.5	-100.8	0	0	0	109.3	F57 C72 L73 N75 E79	F57-F81 HydrophobicContact CD1-CD2 4.08Å; F57-F81 HydrophobicContact CD1-CE2 4.28Å; F57-F81 HydrophobicContact CE1-CD1 4.47Å; F57-F81 AromaticContact CE1-CD2 3.61Å; F57-F81 HydrophobicContact CE1-CD2 3.61Å; F57-F81 HydrophobicContact CE1-CE1 4.33Å; F57-F81 AromaticContact CE1-CE2 3.5Å; F57-F81 HydrophobicContact CE1-CE2 3.5Å; F57-F81 VanDerWaalsContact CE1-CE2 3.5Å; F57-F81 HydrophobicContact CE1-CG 4.14Å; F57-F81 AromaticContact CE1-CZ 3.88Å; F57-F81 HydrophobicContact CE1-CZ 3.88Å; F57-F81 HydrophobicContact CZ-CE2 4.44Å; F57-F81 HydrophobicContact CZ-CZ 4.41Å; C72-F81 WeakPolarHBondContact CA-O 3.48Å; C72-F81 WeakPolarHBondContact CB-O 3.23Å; L73-F81 HydrophobicContact CB-CB 4.19Å; L73-F81 PolarHBondContact N-O 3.49Å; L73-F81 PolarHBondContact O-N 3.1Å; N75-F81 HydrophobicContact CB-CE2 4.32Å; E79-F81 HydrophobicContact CB-CE2 3.88Å; E79-F81 HydrophobicContact CB-CZ 4.31Å; E79-F81 HydrophobicContact CG-CE2 3.86Å; E79-F81 HydrophobicContact CG-CZ 3.95Å; E79-F81 WeakPolarHBondContact O-CD2 3.45Å; E79-F81 VanDerWaalsContact O-CE2 3.31Å; E79-F81 WeakPolarHBondContact O-CE2 3.46Å
82	M	95.8	Very high	93.5	Very high	80 Å²	80	70.2 Å²	70.2	39%	0.394	37%	0.366	S	S	.	.			trans	-107.6	144.8	-178.9	-57.9	-171.6	180	0	0	111.1	C62 I64 V80 F84 F87 I88	C62-M82 HydrophobicContact CB-CE 4.49Å; I64-M82 HydrophobicContact CD1-CE 4.35Å; I64-M82 HydrophobicContact CD1-SD 4.4Å; V80-M82 HydrophobicContact CG1-CE 4.33Å; V80-M82 HydrophobicContact CG1-CG 4.42Å; M82-F84 PolarHBondContact O-N 3.35Å; M82-F87 HydrophobicContact CB-CD1 4.09Å; M82-F87 HydrophobicContact SD-CD1 3.82Å; M82-F87 HydrophobicContact SD-CE1 3.48Å; M82-F87 WeakPolarHBondContact SD-CE1 3.24Å; M82-I88 HydrophobicContact CB-CD1 4.01Å; M82-I88 HydrophobicContact CB-CG1 4.18Å; M82-I88 HydrophobicContact SD-CD1 4.25Å
83	P	95.1	Very high	93	Very high	47 Å²	47	77.2 Å²	77.2	31%	0.305	40%	0.399	S	S	.	.			trans	-68	123.2	-177.2	26.6	-34.3	0	0	0	111.1	V70 D71 F87 I88	V70-P83 HydrophobicContact CG1-CG 3.45Å; V70-P83 VanDerWaalsContact CG1-CG 3.45Å; D71-P83 WeakPolarHBondContact O-CD 3.46Å; D71-P83 WeakPolarHBondContact O-CG 3.37Å; P83-F87 HydrophobicContact CG-CB 4.15Å; P83-F87 WeakPolarHBondContact O-CB 3.33Å; P83-F87 PolarHBondContact O-N 3.18Å; P83-I88 PolarHBondContact O-N 3.45Å
84	F	95.4	Very high	92.8	Very high	33 Å²	33	74.6 Å²	74.6	15%	0.145	39%	0.385	C	S	.	.	I	π-helix	trans	-63.9	-56.1	-176.8	-177.9	-97.5	0	0	0	112.7	M82 I88 K89 V94 F108 F110	M82-F84 PolarHBondContact O-N 3.35Å; F84-I88 HydrophobicContact CD2-CB 3.86Å; F84-I88 HydrophobicContact CD2-CG2 3.72Å; F84-I88 HydrophobicContact CE2-CB 4.38Å; F84-I88 HydrophobicContact CE2-CG2 3.86Å; F84-I88 PolarHBondContact O-N 3.47Å; F84-K89 HydrophobicContact CD1-CB 4.23Å; F84-K89 HydrophobicContact CE1-CB 3.83Å; F84-K89 HydrophobicContact CE1-CD 4.31Å; F84-K89 HydrophobicContact CE1-CG 4.01Å; F84-K89 HydrophobicContact CZ-CB 3.99Å; F84-K89 HydrophobicContact CZ-CG 4.2Å; F84-K89 VanDerWaalsContact O-CB 3.28Å; F84-K89 WeakPolarHBondContact O-CB 3.41Å; F84-K89 PolarHBondContact O-N 2.91Å; F84-V94 HydrophobicContact CE2-CG2 3.79Å; F84-V94 HydrophobicContact CZ-CG2 4.06Å; F84-F108 HydrophobicContact CB-CZ 4.24Å; F84-F108 AromaticContact CD1-CE2 3.83Å; F84-F108 HydrophobicContact CD1-CE2 3.83Å; F84-F108 AromaticContact CD1-CZ 3.46Å; F84-F108 HydrophobicContact CD1-CZ 3.46Å; F84-F108 VanDerWaalsContact CD1-CZ 3.46Å; F84-F108 AromaticContact CD2-CE1 3.98Å; F84-F108 HydrophobicContact CD2-CE1 3.98Å; F84-F108 AromaticContact CD2-CZ 3.55Å; F84-F108 HydrophobicContact CD2-CZ 3.55Å; F84-F108 HydrophobicContact CE1-CE2 4.11Å; F84-F108 AromaticContact CE1-CZ 3.59Å; F84-F108 HydrophobicContact CE1-CZ 3.59Å; F84-F108 HydrophobicContact CE2-CE1 4.13Å; F84-F108 AromaticContact CE2-CZ 3.68Å; F84-F108 HydrophobicContact CE2-CZ 3.68Å; F84-F108 HydrophobicContact CG-CE1 4.23Å; F84-F108 HydrophobicContact CG-CE2 4.1Å; F84-F108 AromaticContact CG-CZ 3.45Å; F84-F108 HydrophobicContact CG-CZ 3.45Å; F84-F108 VanDerWaalsContact CG-CZ 3.45Å; F84-F108 AromaticContact CZ-CZ 3.71Å; F84-F108 HydrophobicContact CZ-CZ 3.71Å; F84-F110 AromaticContact CE2-CD2 3.75Å; F84-F110 HydrophobicContact CE2-CD2 3.75Å; F84-F110 AromaticContact CE2-CE2 3.86Å; F84-F110 HydrophobicContact CE2-CE2 3.86Å; F84-F110 HydrophobicContact CZ-CD2 4.44Å
85	H	93.2	Very high	92.6	Very high	110 Å²	110	75.5 Å²	75.5	51%	0.509	39%	0.392	S	S	.	.	I	π-helix	trans	-72.1	-32.9	-178.5	-68.2	-59.5	0	0	0	113
86	G	91.7	Very high	92.6	Very high	44 Å²	44	74.9 Å²	74.9	45%	0.454	39%	0.392	S	S	.	.	I	π-helix	trans	-75	-26.9	179.3	0	0	0	0	0	113.9	R68	R68-G86 PolarHBondContact NH2-O 3.32Å
87	F	94.2	Very high	92.6	Very high	4 Å²	4	72.2 Å²	72.2	2%	0.018	38%	0.382	C	S	.	.	I	π-helix	trans	-138.6	-69.3	-173.4	174.4	-116.9	0	0	0	113.8	I64 V70 M82 P83 K89 N90 Y91	I64-F87 HydrophobicContact CB-CE2 4.33Å; I64-F87 HydrophobicContact CB-CZ 4.38Å; I64-F87 HydrophobicContact CD1-CE1 3.97Å; I64-F87 HydrophobicContact CD1-CE2 4.18Å; I64-F87 HydrophobicContact CD1-CZ 3.63Å; I64-F87 HydrophobicContact CG1-CD2 4.45Å; I64-F87 HydrophobicContact CG1-CE1 4.4Å; I64-F87 HydrophobicContact CG1-CE2 3.72Å; I64-F87 HydrophobicContact CG1-CZ 3.7Å; I64-F87 HydrophobicContact CG2-CE2 3.93Å; I64-F87 HydrophobicContact CG2-CZ 3.82Å; V70-F87 HydrophobicContact CG1-CB 3.82Å; V70-F87 HydrophobicContact CG1-CG 4.21Å; V70-F87 HydrophobicContact CG2-CB 4.23Å; V70-F87 HydrophobicContact CG2-CD2 3.82Å; V70-F87 HydrophobicContact CG2-CE2 4.42Å; V70-F87 HydrophobicContact CG2-CG 4.03Å; M82-F87 HydrophobicContact CB-CD1 4.09Å; M82-F87 HydrophobicContact SD-CD1 3.82Å; M82-F87 HydrophobicContact SD-CE1 3.48Å; M82-F87 WeakPolarHBondContact SD-CE1 3.24Å; P83-F87 HydrophobicContact CG-CB 4.15Å; P83-F87 WeakPolarHBondContact O-CB 3.33Å; P83-F87 PolarHBondContact O-N 3.18Å; F87-K89 VanDerWaalsContact C-N 3.33Å; F87-K89 PolarHBondContact O-N 3.23Å; F87-N90 PolarHBondContact O-N 2.97Å; F87-Y91 HydrophobicContact CD2-CD2 4.41Å; F87-Y91 HydrophobicContact CD2-CG 4.34Å; F87-Y91 HydrophobicContact CE2-CD1 4.17Å; F87-Y91 AromaticContact CE2-CD2 3.49Å; F87-Y91 HydrophobicContact CE2-CD2 3.49Å; F87-Y91 VanDerWaalsContact CE2-CD2 3.49Å; F87-Y91 HydrophobicContact CE2-CE2 4.11Å; F87-Y91 AromaticContact CE2-CG 3.52Å; F87-Y91 HydrophobicContact CE2-CG 3.52Å; F87-Y91 AromaticContact CZ-CD1 3.89Å; F87-Y91 HydrophobicContact CZ-CD1 3.89Å; F87-Y91 HydrophobicContact CZ-CD2 4Å; F87-Y91 HydrophobicContact CZ-CE1 4.28Å; F87-Y91 HydrophobicContact CZ-CE2 4.38Å; F87-Y91 AromaticContact CZ-CG 3.73Å; F87-Y91 HydrophobicContact CZ-CG 3.73Å; F87-Y91 VanDerWaalsContact O-CB 3.31Å; F87-Y91 WeakPolarHBondContact O-CB 3.29Å; F87-Y91 PolarHBondContact O-N 3.33Å
88	I	95	Very high	92.6	Very high	34 Å²	34	71.6 Å²	71.6	17%	0.174	37%	0.374	C	S	.	.	I	π-helix	trans	-54.5	-45.9	-166.3	-59.9	-66.6	0	0	0	112.5	M82 P83 F84 N90 Y91 F92 V94	M82-I88 HydrophobicContact CB-CD1 4.01Å; M82-I88 HydrophobicContact CB-CG1 4.18Å; M82-I88 HydrophobicContact SD-CD1 4.25Å; P83-I88 PolarHBondContact O-N 3.45Å; F84-I88 HydrophobicContact CD2-CB 3.86Å; F84-I88 HydrophobicContact CD2-CG2 3.72Å; F84-I88 HydrophobicContact CE2-CB 4.38Å; F84-I88 HydrophobicContact CE2-CG2 3.86Å; F84-I88 PolarHBondContact O-N 3.47Å; I88-N90 PolarHBondContact O-N 3.49Å; I88-Y91 PolarHBondContact O-N 3.14Å; I88-F92 HydrophobicContact CB-CD2 4.49Å; I88-F92 HydrophobicContact CD1-CD2 4.13Å; I88-F92 HydrophobicContact CD1-CE2 3.84Å; I88-F92 HydrophobicContact CG2-CD2 3.96Å; I88-F92 PolarHBondContact O-N 2.91Å; I88-V94 HydrophobicContact CG2-CG2 4.02Å
89	K	93.4	Very high	92.5	Very high	78 Å²	78	71.3 Å²	71.3	34%	0.339	36%	0.364	S	S	.	.	H	α-helix	trans	-53.5	-54.3	-175.3	-174.1	-171.1	175.5	177.3	0	112.5	F84 F87 Q93 V94	F84-K89 HydrophobicContact CD1-CB 4.23Å; F84-K89 HydrophobicContact CE1-CB 3.83Å; F84-K89 HydrophobicContact CE1-CD 4.31Å; F84-K89 HydrophobicContact CE1-CG 4.01Å; F84-K89 HydrophobicContact CZ-CB 3.99Å; F84-K89 HydrophobicContact CZ-CG 4.2Å; F84-K89 VanDerWaalsContact O-CB 3.28Å; F84-K89 WeakPolarHBondContact O-CB 3.41Å; F84-K89 PolarHBondContact O-N 2.91Å; F87-K89 VanDerWaalsContact C-N 3.33Å; F87-K89 PolarHBondContact O-N 3.23Å; K89-Q93 CarbonylContact O-C 3.55Å; K89-Q93 VanDerWaalsContact O-CA 3.25Å; K89-Q93 WeakPolarHBondContact O-CA 3.39Å; K89-Q93 PolarHBondContact O-N 3.16Å; K89-Q93 VanDerWaalsContact O-N 3.07Å; K89-V94 WeakPolarHBondContact CG-O 3.39Å; K89-V94 PolarHBondContact O-N 3.27Å
90	N	91.4	Very high	92.1	Very high	118 Å²	118	72.5 Å²	72.5	63%	0.631	37%	0.373	S	S	*	.	H	α-helix	trans	-80.9	-33.8	-175.8	-66.4	-24.5	0	0	0	111.5	F87 I88	F87-N90 PolarHBondContact O-N 2.97Å; I88-N90 PolarHBondContact O-N 3.49Å
91	Y	92.7	Very high	91.4	Very high	99 Å²	99	76.5 Å²	76.5	39%	0.388	38%	0.381	S	S	.	.	H	α-helix	trans	-67.5	-44.6	-178.5	-170.9	-92	0	0	0	112.1	I64 N65 F87 I88	I64-Y91 HydrophobicContact CG2-CE2 3.87Å; N65-Y91 PolarHBondContact ND2-OH 3.48Å; F87-Y91 HydrophobicContact CD2-CD2 4.41Å; F87-Y91 HydrophobicContact CD2-CG 4.34Å; F87-Y91 HydrophobicContact CE2-CD1 4.17Å; F87-Y91 AromaticContact CE2-CD2 3.49Å; F87-Y91 HydrophobicContact CE2-CD2 3.49Å; F87-Y91 VanDerWaalsContact CE2-CD2 3.49Å; F87-Y91 HydrophobicContact CE2-CE2 4.11Å; F87-Y91 AromaticContact CE2-CG 3.52Å; F87-Y91 HydrophobicContact CE2-CG 3.52Å; F87-Y91 AromaticContact CZ-CD1 3.89Å; F87-Y91 HydrophobicContact CZ-CD1 3.89Å; F87-Y91 HydrophobicContact CZ-CD2 4Å; F87-Y91 HydrophobicContact CZ-CE1 4.28Å; F87-Y91 HydrophobicContact CZ-CE2 4.38Å; F87-Y91 AromaticContact CZ-CG 3.73Å; F87-Y91 HydrophobicContact CZ-CG 3.73Å; F87-Y91 VanDerWaalsContact O-CB 3.31Å; F87-Y91 WeakPolarHBondContact O-CB 3.29Å; F87-Y91 PolarHBondContact O-N 3.33Å; I88-Y91 PolarHBondContact O-N 3.14Å
92	F	90.3	Very high	90.5	Very high	106 Å²	106	77 Å²	77	47%	0.465	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	1.9	178.8	-65.6	-75.2	0	0	0	113.8	I88 V94	I88-F92 HydrophobicContact CB-CD2 4.49Å; I88-F92 HydrophobicContact CD1-CD2 4.13Å; I88-F92 HydrophobicContact CD1-CE2 3.84Å; I88-F92 HydrophobicContact CG2-CD2 3.96Å; I88-F92 PolarHBondContact O-N 2.91Å; F92-V94 HydrophobicContact CB-CG1 4.01Å; F92-V94 HydrophobicContact CB-CG2 4.2Å; F92-V94 WeakPolarHBondContact O-CG1 3.45Å; F92-V94 PolarHBondContact O-N 3.12Å
93	Q	87.2	Confident	89.5	Confident	148 Å²	148	80.2 Å²	80.2	69%	0.692	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	36.7	-177.9	-56.9	-177.8	-12.1	0	0	114.1	K89	K89-Q93 CarbonylContact O-C 3.55Å; K89-Q93 VanDerWaalsContact O-CA 3.25Å; K89-Q93 WeakPolarHBondContact O-CA 3.39Å; K89-Q93 PolarHBondContact O-N 3.16Å; K89-Q93 VanDerWaalsContact O-N 3.07Å
94	V	91.3	Very high	88.6	Confident	3 Å²	3	87.3 Å²	87.3	2%	0.018	45%	0.451	C	S	.	.			trans	-101.3	166	179.8	-62.8	0	0	0	0	110.8	F84 I88 K89 F92 F110	F84-V94 HydrophobicContact CE2-CG2 3.79Å; F84-V94 HydrophobicContact CZ-CG2 4.06Å; I88-V94 HydrophobicContact CG2-CG2 4.02Å; K89-V94 WeakPolarHBondContact CG-O 3.39Å; K89-V94 PolarHBondContact O-N 3.27Å; F92-V94 HydrophobicContact CB-CG1 4.01Å; F92-V94 HydrophobicContact CB-CG2 4.2Å; F92-V94 WeakPolarHBondContact O-CG1 3.45Å; F92-V94 PolarHBondContact O-N 3.12Å; V94-F110 HydrophobicContact CB-CE2 3.93Å; V94-F110 HydrophobicContact CB-CZ 3.8Å; V94-F110 HydrophobicContact CG1-CE1 4.43Å; V94-F110 HydrophobicContact CG1-CE2 4.3Å; V94-F110 HydrophobicContact CG1-CZ 3.71Å; V94-F110 HydrophobicContact CG2-CE2 3.63Å; V94-F110 HydrophobicContact CG2-CZ 3.93Å
95	S	90.9	Very high	88	Confident	33 Å²	33	88.6 Å²	88.6	23%	0.231	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	149	178.6	-73.6	0	0	0	0	111.4	T111	S95-T111 VanDerWaalsContact CB-OG1 3.27Å; S95-T111 WeakPolarHBondContact CB-OG1 3.29Å; S95-T111 PolarHBondContact N-O 3.01Å; S95-T111 PolarHBondContact O-N 3.32Å; S95-T111 VanDerWaalsContact O-O 3.07Å; S95-T111 PolarHBondContact O-OG1 2.93Å
96	G	90.6	Very high	87.7	Confident	14 Å²	14	86.8 Å²	86.8	14%	0.144	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	157.3	175.2	0	0	0	0	0	113.4	E109	G96-E109 CarbonylContact C-O 3.6Å; G96-E109 WeakPolarHBondContact CA-O 3.49Å
97	S	90.9	Very high	87.7	Confident	53 Å²	53	88.1 Å²	88.1	37%	0.371	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	140.5	-176.6	57.5	0	0	0	0	111.2	E109	S97-E109 PolarHBondContact N-O 2.76Å; S97-E109 PolarHBondContact O-N 2.79Å
98	V	90.7	Very high	87.6	Confident	89 Å²	89	92 Å²	92	54%	0.539	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	127.1	171.3	-177.8	0	0	0	0	109.1	A106 L107 F108	V98-A106 HydrophobicContact CG1-CB 4.01Å; V98-L107 CarbonylContact C-O 3.55Å; V98-L107 WeakPolarHBondContact CA-O 3.4Å; V98-F108 HydrophobicContact CG2-CD2 3.85Å
99	R	87.9	Confident	87.4	Confident	145 Å²	145	94 Å²	94	55%	0.547	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.9	169.8	-61.7	-170.8	-173.4	-140.6	8.6	109	L107 E109	R99-L107 PolarHBondContact N-O 3.11Å; R99-L107 PolarHBondContact O-N 2.7Å; R99-E109 IonicContact CZ-OE2 3.21Å; R99-E109 IonicContact NE-OE2 2.86Å; R99-E109 PolarHBondContact NE-OE2 3.32Å; R99-E109 IonicContact NH2-OE1 3.85Å; R99-E109 IonicContact NH2-OE2 2.76Å; R99-E109 PolarHBondContact NH2-OE2 2.68Å
100	I	85.8	Confident	87.3	Confident	140 Å²	140	95.6 Å²	95.6	72%	0.718	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.2	173.9	-56.9	173.5	0	0	0	107.4
101	R	80.7	Confident	87.3	Confident	153 Å²	153	92.4 Å²	92.4	58%	0.577	48%	0.483	S	S	*	.			trans	-84.4	155.1	171.9	-66.1	-176.7	175.1	-172.3	-1.3	109.5	N103 K104 S105	R101-N103 PolarHBondContact O-N 3.25Å; R101-K104 PolarHBondContact O-N 3.24Å; R101-S105 PolarHBondContact N-O 3.19Å
102	G	76	Confident	87.1	Confident	85 Å²	85	89.7 Å²	89.7	88%	0.876	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-26.4	-176.5	0	0	0	0	0	115.2	K104	G102-K104 VanDerWaalsContact C-N 3.26Å; G102-K104 PolarHBondContact O-N 3.14Å
103	N	75	Confident	86.9	Confident	149 Å²	149	85.3 Å²	85.3	80%	0.797	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	26.9	178.2	-66.6	11.6	0	0	0	114	R101 S105	R101-N103 PolarHBondContact O-N 3.25Å; N103-S105 PolarHBondContact O-N 3.26Å
104	K	75.6	Confident	86.6	Confident	195 Å²	195	82 Å²	82	85%	0.848	45%	0.449	S	S	*	.	S	Bend	trans	58.8	5.3	-175	-59	-177.8	178.6	179.3	0	115.5	R101 G102	R101-K104 PolarHBondContact O-N 3.24Å; G102-K104 VanDerWaalsContact C-N 3.26Å; G102-K104 PolarHBondContact O-N 3.14Å
105	S	84.1	Confident	86.2	Confident	60 Å²	60	82.6 Å²	82.6	42%	0.42	46%	0.455	S	S	.	.			trans	-79	125.8	174.2	53.4	0	0	0	0	110.4	R101 N103	R101-S105 PolarHBondContact N-O 3.19Å; N103-S105 PolarHBondContact O-N 3.26Å
106	A	86.7	Confident	85.9	Confident	73 Å²	73	89.2 Å²	89.2	60%	0.603	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	129.7	173.3	0	0	0	0	0	109.7	V98	V98-A106 HydrophobicContact CG1-CB 4.01Å
107	L	90.6	Very high	85.8	Confident	72 Å²	72	90.8 Å²	90.8	38%	0.377	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.3	171.8	175	72.6	0	0	0	108.4	V98 R99	V98-L107 CarbonylContact C-O 3.55Å; V98-L107 WeakPolarHBondContact CA-O 3.4Å; R99-L107 PolarHBondContact N-O 3.11Å; R99-L107 PolarHBondContact O-N 2.7Å
108	F	92.4	Very high	85.6	Confident	85 Å²	85	91.3 Å²	91.3	37%	0.373	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	115.1	168	-178.1	-108.5	0	0	0	109.8	F84 V98 F110	F84-F108 HydrophobicContact CB-CZ 4.24Å; F84-F108 AromaticContact CD1-CE2 3.83Å; F84-F108 HydrophobicContact CD1-CE2 3.83Å; F84-F108 AromaticContact CD1-CZ 3.46Å; F84-F108 HydrophobicContact CD1-CZ 3.46Å; F84-F108 VanDerWaalsContact CD1-CZ 3.46Å; F84-F108 AromaticContact CD2-CE1 3.98Å; F84-F108 HydrophobicContact CD2-CE1 3.98Å; F84-F108 AromaticContact CD2-CZ 3.55Å; F84-F108 HydrophobicContact CD2-CZ 3.55Å; F84-F108 HydrophobicContact CE1-CE2 4.11Å; F84-F108 AromaticContact CE1-CZ 3.59Å; F84-F108 HydrophobicContact CE1-CZ 3.59Å; F84-F108 HydrophobicContact CE2-CE1 4.13Å; F84-F108 AromaticContact CE2-CZ 3.68Å; F84-F108 HydrophobicContact CE2-CZ 3.68Å; F84-F108 HydrophobicContact CG-CE1 4.23Å; F84-F108 HydrophobicContact CG-CE2 4.1Å; F84-F108 AromaticContact CG-CZ 3.45Å; F84-F108 HydrophobicContact CG-CZ 3.45Å; F84-F108 VanDerWaalsContact CG-CZ 3.45Å; F84-F108 AromaticContact CZ-CZ 3.71Å; F84-F108 HydrophobicContact CZ-CZ 3.71Å; V98-F108 HydrophobicContact CG2-CD2 3.85Å; F108-F110 HydrophobicContact CD1-CB 4.36Å; F108-F110 HydrophobicContact CE1-CB 3.95Å; F108-F110 HydrophobicContact CE1-CD2 4.13Å
109	E	91.1	Very high	85.5	Confident	76 Å²	76	92.8 Å²	92.8	36%	0.355	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	117.8	173.8	-174.7	175	-164.7	0	0	108.6	G96 S97 R99 T111	G96-E109 CarbonylContact C-O 3.6Å; G96-E109 WeakPolarHBondContact CA-O 3.49Å; S97-E109 PolarHBondContact N-O 2.76Å; S97-E109 PolarHBondContact O-N 2.79Å; R99-E109 IonicContact CZ-OE2 3.21Å; R99-E109 IonicContact NE-OE2 2.86Å; R99-E109 PolarHBondContact NE-OE2 3.32Å; R99-E109 IonicContact NH2-OE1 3.85Å; R99-E109 IonicContact NH2-OE2 2.76Å; R99-E109 PolarHBondContact NH2-OE2 2.68Å; E109-T111 HydrophobicContact CG-CG2 4.49Å
110	F	92.2	Very high	85.5	Confident	111 Å²	111	87 Å²	87	49%	0.487	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.9	175	179.3	-83.5	0	0	0	110.2	F84 V94 F108	F84-F110 AromaticContact CE2-CD2 3.75Å; F84-F110 HydrophobicContact CE2-CD2 3.75Å; F84-F110 AromaticContact CE2-CE2 3.86Å; F84-F110 HydrophobicContact CE2-CE2 3.86Å; F84-F110 HydrophobicContact CZ-CD2 4.44Å; V94-F110 HydrophobicContact CB-CE2 3.93Å; V94-F110 HydrophobicContact CB-CZ 3.8Å; V94-F110 HydrophobicContact CG1-CE1 4.43Å; V94-F110 HydrophobicContact CG1-CE2 4.3Å; V94-F110 HydrophobicContact CG1-CZ 3.71Å; V94-F110 HydrophobicContact CG2-CE2 3.63Å; V94-F110 HydrophobicContact CG2-CZ 3.93Å; F108-F110 HydrophobicContact CD1-CB 4.36Å; F108-F110 HydrophobicContact CE1-CB 3.95Å; F108-F110 HydrophobicContact CE1-CD2 4.13Å
111	T	91.1	Very high	85.5	Confident	51 Å²	51	85.7 Å²	85.7	31%	0.313	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	129.3	179.4	51.3	0	0	0	0	109.6	S95 E109	S95-T111 VanDerWaalsContact CB-OG1 3.27Å; S95-T111 WeakPolarHBondContact CB-OG1 3.29Å; S95-T111 PolarHBondContact N-O 3.01Å; S95-T111 PolarHBondContact O-N 3.32Å; S95-T111 VanDerWaalsContact O-O 3.07Å; S95-T111 PolarHBondContact O-OG1 2.93Å; E109-T111 HydrophobicContact CG-CG2 4.49Å
112	H	88	Confident	85.7	Confident	43 Å²	43	80.1 Å²	80.1	20%	0.199	45%	0.446	C	S	.	.	S	Bend	trans	-71.9	-43.5	177.5	-168.1	79	0	0	0	111.3	W525 F557 G560	H112-W525 AromaticContact CD2-CH2 3.58Å; H112-W525 AromaticContact CD2-CZ2 3.48Å; H112-W525 VanDerWaalsContact CD2-CZ2 3.48Å; H112-W525 WeakPolarHBondContact CD2-CZ2 3.37Å; H112-W525 AromaticContact NE2-CH2 3.77Å; H112-W525 AromaticContact NE2-CZ2 3.59Å; H112-W525 PolarHBondContact O-NE1 3.29Å; H112-F557 PolarHBondContact CD2-O 2.86Å; H112-G560 VanDerWaalsContact CD2-CA 3.5Å; H112-G560 WeakPolarHBondContact CD2-CA 3.43Å; H112-G560 PolarHBondContact CD2-N 2.93Å; H112-G560 VanDerWaalsContact CG-CA 3.49Å
113	S	85.4	Confident	86.1	Confident	14 Å²	14	86 Å²	86	10%	0.098	45%	0.447	C	S	.	.			trans	-107.3	138.4	173.1	172.8	0	0	0	0	111.1	A115 W525 S558	S113-A115 VanDerWaalsContact C-N 3.35Å; S113-A115 PolarHBondContact OG-N 3.16Å; S113-A115 VanDerWaalsContact OG-N 3.13Å; S113-A115 PolarHBondContact OG-O 3.31Å; S113-W525 WeakPolarHBondContact OG-CB 3.43Å; S113-S558 WeakPolarHBondContact CB-O 3.38Å; S113-S558 PolarHBondContact N-O 3.18Å
114	S	81.4	Confident	86.8	Confident	77 Å²	77	84.2 Å²	84.2	54%	0.538	44%	0.437	S	S	.	.	S	Bend	trans	-83.8	-12.2	171.8	55.9	0	0	0	0	113.3
115	A	82.6	Confident	87.8	Confident	17 Å²	17	75.1 Å²	75.1	14%	0.14	40%	0.398	C	S	.	.	S	Bend	trans	-89.9	135.5	-176.1	0	0	0	0	0	111	S113 W525 S529	S113-A115 VanDerWaalsContact C-N 3.35Å; S113-A115 PolarHBondContact OG-N 3.16Å; S113-A115 VanDerWaalsContact OG-N 3.13Å; S113-A115 PolarHBondContact OG-O 3.31Å; A115-W525 VanDerWaalsContact CB-C 3.41Å; A115-W525 HydrophobicContact CB-CB 3.89Å; A115-W525 VanDerWaalsContact CB-O 3.25Å; A115-W525 WeakPolarHBondContact CB-O 3.42Å; A115-S529 VanDerWaalsContact CB-OG 3.26Å; A115-S529 WeakPolarHBondContact CB-OG 3.4Å
116	K	85.5	Confident	88.3	Confident	171 Å²	171	76.4 Å²	76.4	74%	0.743	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-78.3	127.4	173	-65.8	-175.1	179.1	-176	0	109.4
117	I	87.4	Confident	88.7	Confident	48 Å²	48	73 Å²	73	25%	0.246	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-81.6	119.3	172.1	-63.9	163.7	0	0	0	107.7	I532 I555	I117-I532 HydrophobicContact CD1-CD1 3.9Å; I117-I532 HydrophobicContact CG1-CD1 4.08Å; I117-I532 HydrophobicContact CG2-CG2 3.76Å; I117-I555 HydrophobicContact CD1-CB 4.42Å; I117-I555 HydrophobicContact CD1-CG1 4.19Å; I117-I555 HydrophobicContact CD1-CG2 4.26Å; I117-I555 HydrophobicContact CG2-CG1 4.34Å
118	H	86.9	Confident	88.9	Confident	64 Å²	64	74.1 Å²	74.1	30%	0.296	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-89.4	137	173.5	-65.4	-77.6	0	0	0	109.5	F533	H118-F533 HydrophobicContact CB-CD2 3.92Å; H118-F533 HydrophobicContact CB-CE2 4.46Å; H118-F533 WeakPolarHBondContact O-CD2 3.34Å
119	Q	88.7	Confident	89	Confident	119 Å²	119	71 Å²	71	56%	0.556	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-92.4	142.6	167.4	-67.5	-69.8	-22.9	0	0	108.4	S121	Q119-S121 PolarHBondContact O-N 2.84Å
120	P	88.8	Confident	89.2	Confident	24 Å²	24	68.7 Å²	68.7	16%	0.156	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-54.2	128.3	166.6	-24.1	34.5	0	0	0	110.2	F122 F533 L536	P120-F122 HydrophobicContact CB-CD2 4.11Å; P120-F122 HydrophobicContact CB-CE1 4.24Å; P120-F122 HydrophobicContact CB-CE2 3.79Å; P120-F122 HydrophobicContact CB-CG 4.47Å; P120-F122 HydrophobicContact CB-CZ 3.86Å; P120-F122 PolarHBondContact O-N 2.79Å; P120-F533 HydrophobicContact CB-CE2 4.38Å; P120-F533 HydrophobicContact CG-CD2 4.41Å; P120-F533 HydrophobicContact CG-CE2 4.08Å; P120-F533 HydrophobicContact CG-CZ 4.49Å; P120-L536 HydrophobicContact CG-CB 3.71Å
121	S	85	Confident	89.3	Confident	112 Å²	112	63.4 Å²	63.4	78%	0.783	34%	0.335	S	S	*	.	S	Bend	trans	-74.8	-11.9	176.3	53.2	0	0	0	0	112.7	Q119	Q119-S121 PolarHBondContact O-N 2.84Å
122	F	85.1	Confident	89.5	Confident	37 Å²	37	61 Å²	61	16%	0.162	32%	0.321	C	S	.	.			trans	-104.5	141.2	-178.5	47.7	-97.3	0	0	0	111	P120 Y125 W537 A540	P120-F122 HydrophobicContact CB-CD2 4.11Å; P120-F122 HydrophobicContact CB-CE1 4.24Å; P120-F122 HydrophobicContact CB-CE2 3.79Å; P120-F122 HydrophobicContact CB-CG 4.47Å; P120-F122 HydrophobicContact CB-CZ 3.86Å; P120-F122 PolarHBondContact O-N 2.79Å; F122-Y125 HydrophobicContact CD2-CD2 4.31Å; F122-Y125 HydrophobicContact CE1-CD2 4.19Å; F122-Y125 AromaticContact CE2-CD2 3.88Å; F122-Y125 HydrophobicContact CE2-CD2 3.88Å; F122-Y125 HydrophobicContact CE2-CG 4.27Å; F122-Y125 AromaticContact CZ-CD2 3.81Å; F122-Y125 HydrophobicContact CZ-CD2 3.81Å; F122-W537 AromaticContact CE2-CD1 3.47Å; F122-W537 VanDerWaalsContact CE2-CD1 3.47Å; F122-W537 HydrophobicContact CE2-CG 4.18Å; F122-W537 AromaticContact CE2-NE1 3.8Å; F122-W537 AromaticContact CZ-CD1 3.46Å; F122-W537 VanDerWaalsContact CZ-CD1 3.46Å; F122-W537 HydrophobicContact CZ-CD2 4.19Å; F122-W537 AromaticContact CZ-CE2 3.94Å; F122-W537 AromaticContact CZ-CG 3.88Å; F122-W537 HydrophobicContact CZ-CG 3.88Å; F122-W537 AromaticContact CZ-NE1 3.52Å; F122-A540 HydrophobicContact CD2-CB 4.26Å; F122-A540 HydrophobicContact CE2-CB 4.16Å
123	K	84.4	Confident	89.7	Confident	207 Å²	207	59.5 Å²	59.5	90%	0.9	31%	0.314	S	S	*	.	S	Bend	trans	-81.2	-36.6	169.2	-68.2	-174.8	179	-179.2	0	112
124	L	90.4	Very high	90	Very high	113 Å²	113	58.9 Å²	58.9	59%	0.592	31%	0.31	S	S	*	.	S	Bend	trans	-123.4	130.9	174.5	178.7	66.8	0	0	0	108.1	L126	L124-L126 HydrophobicContact CD2-CD2 4.31Å
125	Y	95.6	Very high	90.5	Very high	3 Å²	3	55.8 Å²	55.8	1%	0.012	29%	0.289	C	S	.	.			trans	-80.6	128.1	178.1	179.8	-116.2	0	0	0	111.7	F122 R407 I468 Y471 D472 W537 I541	F122-Y125 HydrophobicContact CD2-CD2 4.31Å; F122-Y125 HydrophobicContact CE1-CD2 4.19Å; F122-Y125 AromaticContact CE2-CD2 3.88Å; F122-Y125 HydrophobicContact CE2-CD2 3.88Å; F122-Y125 HydrophobicContact CE2-CG 4.27Å; F122-Y125 AromaticContact CZ-CD2 3.81Å; F122-Y125 HydrophobicContact CZ-CD2 3.81Å; Y125-R407 PolarHBondContact OH-NH2 3.05Å; Y125-I468 HydrophobicContact CE1-CG2 4.24Å; Y125-Y471 AromaticContact CD1-CD1 3.89Å; Y125-Y471 HydrophobicContact CD1-CD1 3.89Å; Y125-Y471 AromaticContact CD1-CE1 3.56Å; Y125-Y471 HydrophobicContact CD1-CE1 3.56Å; Y125-Y471 AromaticContact CE1-CD1 3.8Å; Y125-Y471 HydrophobicContact CE1-CD1 3.8Å; Y125-Y471 AromaticContact CE1-CE1 3.84Å; Y125-Y471 HydrophobicContact CE1-CE1 3.84Å; Y125-D472 WeakPolarHBondContact CE1-OD1 3.49Å; Y125-D472 PolarHBondContact OH-OD1 3.44Å; Y125-D472 VanDerWaalsContact OH-OD1 3.12Å; Y125-D472 PolarHBondContact OH-OD2 3.05Å; Y125-W537 AromaticContact CD1-NE1 3.59Å; Y125-W537 AromaticContact CD2-CE2 3.84Å; Y125-W537 HydrophobicContact CD2-CZ2 4.07Å; Y125-W537 AromaticContact CD2-NE1 3.09Å; Y125-W537 HydrophobicContact CE1-CZ2 4.25Å; Y125-W537 AromaticContact CE1-NE1 3.84Å; Y125-W537 AromaticContact CE2-CE2 3.68Å; Y125-W537 AromaticContact CE2-CZ2 3.42Å; Y125-W537 HydrophobicContact CE2-CZ2 3.42Å; Y125-W537 VanDerWaalsContact CE2-CZ2 3.42Å; Y125-W537 AromaticContact CE2-NE1 3.4Å; Y125-W537 AromaticContact CG-CD1 3.98Å; Y125-W537 AromaticContact CG-NE1 3.2Å; Y125-W537 AromaticContact CZ-CE2 3.95Å; Y125-W537 AromaticContact CZ-CZ2 3.52Å; Y125-W537 AromaticContact CZ-NE1 3.76Å; Y125-I541 HydrophobicContact CD1-CD1 3.64Å; Y125-I541 HydrophobicContact CD1-CG1 3.81Å; Y125-I541 HydrophobicContact CE1-CD1 4.34Å; Y125-I541 HydrophobicContact CG-CD1 4.19Å; Y125-I541 HydrophobicContact CG-CG1 4.06Å
126	L	95.3	Very high	90.9	Very high	87 Å²	87	60.3 Å²	60.3	46%	0.455	31%	0.311	S	S	.	.			trans	-115.8	133.5	175.9	-61	177.2	0	0	0	110	L124 E128 G129	L124-L126 HydrophobicContact CD2-CD2 4.31Å; L126-E128 VanDerWaalsContact C-N 3.29Å; L126-E128 HydrophobicContact CB-CG 4.39Å; L126-E128 PolarHBondContact O-N 3.26Å; L126-G129 WeakPolarHBondContact O-CA 3.16Å; L126-G129 PolarHBondContact O-N 2.86Å
127	T	95.6	Very high	90.9	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.012	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-32.6	-179.2	-67.6	0	0	0	0	112.4	G129 C406 R407 L410 D472	T127-G129 PolarHBondContact O-N 3.43Å; T127-C406 HydrophobicContact CG2-CB 4.33Å; T127-R407 WeakPolarHBondContact O-CG 3.46Å; T127-R407 PolarHBondContact O-NE 3.37Å; T127-R407 PolarHBondContact O-NH2 2.93Å; T127-L410 HydrophobicContact CG2-CD1 3.85Å; T127-D472 WeakPolarHBondContact CB-OD1 3.38Å; T127-D472 HydrophobicContact CG2-CB 3.81Å; T127-D472 WeakPolarHBondContact CG2-OD1 3.28Å; T127-D472 PolarHBondContact OG1-OD1 3.08Å
128	E	94.8	Very high	91.1	Very high	96 Å²	96	54.8 Å²	54.8	45%	0.449	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.3	171.5	66.1	-86.7	-158.2	0	0	113.3	L126 Y178 L410	L126-E128 VanDerWaalsContact C-N 3.29Å; L126-E128 HydrophobicContact CB-CG 4.39Å; L126-E128 PolarHBondContact O-N 3.26Å; E128-Y178 WeakPolarHBondContact O-CE1 3.35Å; E128-Y178 PolarHBondContact O-OH 3.46Å; E128-L410 HydrophobicContact CB-CD1 4.23Å
129	G	94.4	Very high	91.5	Very high	20 Å²	20	51.7 Å²	51.7	21%	0.206	27%	0.271	C	S	.	.	S	Bend	trans	-79.8	-179.4	179.4	0	0	0	0	0	114	L126 T127 F131 Y178 R407	L126-G129 WeakPolarHBondContact O-CA 3.16Å; L126-G129 PolarHBondContact O-N 2.86Å; T127-G129 PolarHBondContact O-N 3.43Å; G129-F131 PolarHBondContact O-N 2.92Å; G129-Y178 WeakPolarHBondContact O-CE1 3.24Å; G129-R407 PolarHBondContact O-NE 3.07Å; G129-R407 PolarHBondContact O-NH2 3.02Å
130	S	94.1	Very high	91.7	Very high	26 Å²	26	46.5 Å²	46.5	18%	0.182	25%	0.248	C	C	.	.			trans	-52	135.5	171.5	174.1	0	0	0	0	110.5	G132 S179	S130-G132 PolarHBondContact O-N 2.83Å; S130-G132 PolarHBondContact OG-O 3.19Å; S130-S179 WeakPolarHBondContact OG-CB 3.42Å
131	F	96.1	Very high	91.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.			trans	-79.6	92.7	177.5	-172.8	-96.2	0	0	0	109.7	G129 H133 F134 L175 S179 H400 S403 Y465 I468 W537	G129-F131 PolarHBondContact O-N 2.92Å; F131-H133 PolarHBondContact O-N 3.06Å; F131-F134 AromaticContact CD1-CD2 3.51Å; F131-F134 HydrophobicContact CD1-CD2 3.51Å; F131-F134 AromaticContact CD1-CE2 3.75Å; F131-F134 HydrophobicContact CD1-CE2 3.75Å; F131-F134 HydrophobicContact CD1-CG 4.09Å; F131-F134 HydrophobicContact CE1-CD2 4.06Å; F131-F134 AromaticContact CE1-CE2 3.81Å; F131-F134 HydrophobicContact CE1-CE2 3.81Å; F131-F134 HydrophobicContact CE1-CZ 4.49Å; F131-F134 VanDerWaalsContact O-CB 3.29Å; F131-F134 WeakPolarHBondContact O-CB 3.14Å; F131-F134 VanDerWaalsContact O-CD2 3.28Å; F131-F134 WeakPolarHBondContact O-CD2 3.44Å; F131-F134 PolarHBondContact O-N 3.45Å; F131-F134 VanDerWaalsContact O-N 3.08Å; F131-L175 HydrophobicContact CB-CB 4.16Å; F131-L175 HydrophobicContact CB-CD2 3.89Å; F131-L175 HydrophobicContact CB-CG 4.45Å; F131-L175 HydrophobicContact CD1-CB 4.16Å; F131-L175 HydrophobicContact CD1-CD1 3.64Å; F131-L175 HydrophobicContact CD1-CD2 4.28Å; F131-L175 HydrophobicContact CD1-CG 4.22Å; F131-L175 HydrophobicContact CD2-CD1 4.37Å; F131-L175 HydrophobicContact CD2-CD2 3.96Å; F131-L175 HydrophobicContact CE1-CD1 3.71Å; F131-L175 HydrophobicContact CE2-CD1 4.42Å; F131-L175 HydrophobicContact CG-CB 4.28Å; F131-L175 HydrophobicContact CG-CD1 3.99Å; F131-L175 HydrophobicContact CG-CD2 3.77Å; F131-L175 HydrophobicContact CG-CG 4.21Å; F131-L175 HydrophobicContact CZ-CD1 4.1Å; F131-S179 PolarHBondContact N-OG 3.29Å; F131-H400 AromaticContact CE1-CD2 3.49Å; F131-H400 VanDerWaalsContact CE1-CD2 3.49Å; F131-H400 WeakPolarHBondContact CE1-CD2 3.47Å; F131-H400 AromaticContact CE1-NE2 3.75Å; F131-H400 AromaticContact CZ-CD2 3.66Å; F131-S403 WeakPolarHBondContact CE2-OG 3.46Å; F131-Y465 HydrophobicContact CE1-CD1 4.09Å; F131-Y465 HydrophobicContact CE1-CE1 4.11Å; F131-Y465 HydrophobicContact CZ-CD1 4.19Å; F131-I468 HydrophobicContact CD2-CG2 4.42Å; F131-I468 HydrophobicContact CE2-CB 4.43Å; F131-I468 HydrophobicContact CE2-CG2 3.51Å; F131-I468 HydrophobicContact CZ-CB 4.45Å; F131-I468 HydrophobicContact CZ-CG2 3.93Å; F131-W537 AromaticContact CD1-CH2 3.83Å; F131-W537 HydrophobicContact CD1-CH2 3.83Å; F131-W537 AromaticContact CD2-CH2 3.89Å; F131-W537 HydrophobicContact CD2-CH2 3.89Å; F131-W537 HydrophobicContact CD2-CZ2 4.22Å; F131-W537 AromaticContact CE1-CH2 3.67Å; F131-W537 HydrophobicContact CE1-CH2 3.67Å; F131-W537 HydrophobicContact CE1-CZ3 4.18Å; F131-W537 AromaticContact CE2-CH2 3.73Å; F131-W537 HydrophobicContact CE2-CH2 3.73Å; F131-W537 HydrophobicContact CE2-CZ2 4.21Å; F131-W537 AromaticContact CG-CH2 3.95Å; F131-W537 HydrophobicContact CG-CH2 3.95Å; F131-W537 AromaticContact CZ-CH2 3.62Å; F131-W537 HydrophobicContact CZ-CH2 3.62Å; F131-W537 HydrophobicContact CZ-CZ3 4.29Å
132	G	93.8	Very high	92	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.021	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	-128.9	-178.1	0	0	0	0	0	111.5	S130 W537	S130-G132 PolarHBondContact O-N 2.83Å; S130-G132 PolarHBondContact OG-O 3.19Å; G132-W537 VanDerWaalsContact N-CH2 3.34Å
133	H	91.8	Very high	92.1	Very high	10 Å²	10	50 Å²	50	5%	0.046	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	17.7	178.4	57.6	-78.1	0	0	0	113.5	F131 A135 N136 Y137 F533	F131-H133 PolarHBondContact O-N 3.06Å; H133-A135 PolarHBondContact O-N 2.82Å; H133-N136 WeakPolarHBondContact O-CB 3.44Å; H133-N136 PolarHBondContact O-N 3.08Å; H133-Y137 AromaticContact CD2-CD2 3.99Å; H133-Y137 AromaticContact CD2-CE2 3.08Å; H133-Y137 WeakPolarHBondContact CD2-CE2 3.28Å; H133-Y137 AromaticContact CD2-CZ 3.43Å; H133-Y137 VanDerWaalsContact CD2-CZ 3.43Å; H133-Y137 PolarHBondContact CD2-OH 2.61Å; H133-Y137 AromaticContact NE2-CE2 3.12Å; H133-Y137 WeakPolarHBondContact NE2-CE2 3.29Å; H133-Y137 AromaticContact NE2-CZ 3.35Å; H133-Y137 VanDerWaalsContact NE2-CZ 3.35Å; H133-Y137 PolarHBondContact NE2-OH 2.87Å; H133-F533 HydrophobicContact CB-CD2 4.41Å; H133-F533 HydrophobicContact CB-CE2 3.81Å; H133-F533 HydrophobicContact CB-CZ 3.93Å; H133-F533 AromaticContact CE1-CD1 3.39Å; H133-F533 WeakPolarHBondContact CE1-CD1 3.41Å; H133-F533 AromaticContact CE1-CE1 3.71Å; H133-F533 AromaticContact CE1-CG 3.67Å; H133-F533 AromaticContact CG-CE2 3.94Å; H133-F533 AromaticContact CG-CZ 3.95Å; H133-F533 AromaticContact ND1-CD1 3.09Å; H133-F533 WeakPolarHBondContact ND1-CD1 3.43Å; H133-F533 AromaticContact ND1-CD2 3.49Å; H133-F533 WeakPolarHBondContact ND1-CD2 3.28Å; H133-F533 AromaticContact ND1-CE1 3Å; H133-F533 WeakPolarHBondContact ND1-CE1 3.46Å; H133-F533 AromaticContact ND1-CE2 3.42Å; H133-F533 WeakPolarHBondContact ND1-CE2 3.44Å; H133-F533 AromaticContact ND1-CG 3.35Å; H133-F533 WeakPolarHBondContact ND1-CG 3.43Å; H133-F533 AromaticContact ND1-CZ 3.19Å; H133-F533 WeakPolarHBondContact ND1-CZ 3.4Å
134	F	93.1	Very high	92.5	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.009	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-65.2	-21.9	-175.3	-88.7	-104.4	0	0	0	115	F131 N136 Y137 Q172 L175 E176 H400 Y465	F131-F134 AromaticContact CD1-CD2 3.51Å; F131-F134 HydrophobicContact CD1-CD2 3.51Å; F131-F134 AromaticContact CD1-CE2 3.75Å; F131-F134 HydrophobicContact CD1-CE2 3.75Å; F131-F134 HydrophobicContact CD1-CG 4.09Å; F131-F134 HydrophobicContact CE1-CD2 4.06Å; F131-F134 AromaticContact CE1-CE2 3.81Å; F131-F134 HydrophobicContact CE1-CE2 3.81Å; F131-F134 HydrophobicContact CE1-CZ 4.49Å; F131-F134 VanDerWaalsContact O-CB 3.29Å; F131-F134 WeakPolarHBondContact O-CB 3.14Å; F131-F134 VanDerWaalsContact O-CD2 3.28Å; F131-F134 WeakPolarHBondContact O-CD2 3.44Å; F131-F134 PolarHBondContact O-N 3.45Å; F131-F134 VanDerWaalsContact O-N 3.08Å; F134-N136 PolarHBondContact O-N 3.24Å; F134-N136 VanDerWaalsContact O-N 3.16Å; F134-Y137 HydrophobicContact CD1-CD2 4.32Å; F134-Y137 HydrophobicContact CD2-CD2 4.49Å; F134-Y137 HydrophobicContact CG-CD2 4.3Å; F134-Y137 PolarHBondContact O-N 3.4Å; F134-Q172 HydrophobicContact CE1-CB 3.67Å; F134-Q172 HydrophobicContact CE1-CG 3.53Å; F134-Q172 HydrophobicContact CZ-CB 4.39Å; F134-Q172 HydrophobicContact CZ-CG 3.73Å; F134-L175 HydrophobicContact CD1-CB 4.09Å; F134-L175 HydrophobicContact CG-CB 4.33Å; F134-E176 HydrophobicContact CD1-CB 4.42Å; F134-H400 AromaticContact CZ-NE2 3.99Å; F134-Y465 HydrophobicContact CE2-CE1 4.11Å
135	A	91.8	Very high	92.6	Very high	12 Å²	12	38.1 Å²	38.1	10%	0.099	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-57.4	-26.9	170.5	0	0	0	0	0	113.4	H133 R180 I183	H133-A135 PolarHBondContact O-N 2.82Å; A135-R180 HydrophobicContact CB-CG 4.46Å; A135-R180 WeakPolarHBondContact O-CG 3.26Å; A135-R180 PolarHBondContact O-NE 3.24Å; A135-I183 HydrophobicContact CB-CD1 3.58Å
136	N	89.8	Confident	92.3	Very high	112 Å²	112	38.1 Å²	38.1	60%	0.599	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-91.2	-4.1	-176.7	-60.9	-26.3	0	0	0	113.7	H133 F134	H133-N136 WeakPolarHBondContact O-CB 3.44Å; H133-N136 PolarHBondContact O-N 3.08Å; F134-N136 PolarHBondContact O-N 3.24Å; F134-N136 VanDerWaalsContact O-N 3.16Å
137	Y	86.9	Confident	91.8	Very high	66 Å²	66	34.7 Å²	34.7	26%	0.259	17%	0.174	S	C	.	.			trans	-94.4	153	177.8	-76.3	-56.8	0	0	0	112	H133 F134 E176 R180	H133-Y137 AromaticContact CD2-CD2 3.99Å; H133-Y137 AromaticContact CD2-CE2 3.08Å; H133-Y137 WeakPolarHBondContact CD2-CE2 3.28Å; H133-Y137 AromaticContact CD2-CZ 3.43Å; H133-Y137 VanDerWaalsContact CD2-CZ 3.43Å; H133-Y137 PolarHBondContact CD2-OH 2.61Å; H133-Y137 AromaticContact NE2-CE2 3.12Å; H133-Y137 WeakPolarHBondContact NE2-CE2 3.29Å; H133-Y137 AromaticContact NE2-CZ 3.35Å; H133-Y137 VanDerWaalsContact NE2-CZ 3.35Å; H133-Y137 PolarHBondContact NE2-OH 2.87Å; F134-Y137 HydrophobicContact CD1-CD2 4.32Å; F134-Y137 HydrophobicContact CD2-CD2 4.49Å; F134-Y137 HydrophobicContact CG-CD2 4.3Å; F134-Y137 PolarHBondContact O-N 3.4Å; Y137-E176 VanDerWaalsContact O-CG 3.24Å; Y137-E176 WeakPolarHBondContact O-CG 3.5Å; Y137-R180 PolarHBondContact O-NE 2.9Å; Y137-R180 PolarHBondContact O-NH1 2.85Å; Y137-R180 PolarHBondContact O-NH2 2.68Å
138	N	91.8	Very high	91.2	Very high	36 Å²	36	35.1 Å²	35.1	19%	0.193	18%	0.177	C	C	.	.			trans	-118.2	102.3	157.4	-171.5	-28.7	0	0	0	107.4	A140 E141	N138-A140 PolarHBondContact OD1-N 3.37Å; N138-A140 VanDerWaalsContact OD1-N 3.16Å; N138-E141 HydrophobicContact CB-CB 3.98Å; N138-E141 HydrophobicContact CB-CG 4.06Å; N138-E141 VanDerWaalsContact CG-CG 3.47Å; N138-E141 WeakPolarHBondContact ND2-CG 3.27Å; N138-E141 PolarHBondContact ND2-OE1 3.36Å; N138-E141 PolarHBondContact OD1-N 2.74Å; N138-E141 VanDerWaalsContact OD1-N 3.09Å
139	V	93.6	Very high	90.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-67.3	-42.3	-179.1	174.6	0	0	0	0	109.3	E141 R142 I145 Q172 F173 E176	V139-E141 PolarHBondContact O-N 2.94Å; V139-R142 WeakPolarHBondContact O-CB 3.4Å; V139-R142 VanDerWaalsContact O-CG 3.31Å; V139-R142 WeakPolarHBondContact O-CG 3.47Å; V139-R142 PolarHBondContact O-N 2.94Å; V139-R142 VanDerWaalsContact O-N 3.09Å; V139-I145 HydrophobicContact CG1-CD1 4.22Å; V139-I145 HydrophobicContact CG1-CG1 4.37Å; V139-I145 WeakPolarHBondContact O-CG1 3.31Å; V139-Q172 HydrophobicContact CG2-CB 4.11Å; V139-F173 HydrophobicContact CB-CB 4.38Å; V139-F173 HydrophobicContact CG1-CB 4.13Å; V139-E176 WeakPolarHBondContact CA-OE2 3.42Å; V139-E176 WeakPolarHBondContact CB-OE2 3.22Å; V139-E176 HydrophobicContact CG2-CB 4.28Å; V139-E176 WeakPolarHBondContact CG2-OE2 3.25Å; V139-E176 PolarHBondContact N-OE2 3.06Å
140	A	92.9	Very high	88.9	Confident	10 Å²	10	33.3 Å²	33.3	8%	0.083	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25	-179	0	0	0	0	0	113.8	N138 R142 F173 I305 H309 R321	N138-A140 PolarHBondContact OD1-N 3.37Å; N138-A140 VanDerWaalsContact OD1-N 3.16Å; A140-R142 VanDerWaalsContact C-N 3.31Å; A140-R142 PolarHBondContact O-N 2.88Å; A140-F173 HydrophobicContact CB-CE2 4.42Å; A140-I305 HydrophobicContact CB-CD1 3.91Å; A140-I305 HydrophobicContact CB-CG1 4.12Å; A140-I305 HydrophobicContact CB-CG2 3.94Å; A140-H309 PolarHBondContact O-NE2 3.38Å; A140-R321 PolarHBondContact O-NH2 2.8Å
141	E	91.2	Very high	87.8	Confident	89 Å²	89	34 Å²	34	42%	0.416	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-11.4	175.5	-84	178.7	-155.3	0	0	114.9	N138 V139 H304 I305 L308 R321	N138-E141 HydrophobicContact CB-CB 3.98Å; N138-E141 HydrophobicContact CB-CG 4.06Å; N138-E141 VanDerWaalsContact CG-CG 3.47Å; N138-E141 WeakPolarHBondContact ND2-CG 3.27Å; N138-E141 PolarHBondContact ND2-OE1 3.36Å; N138-E141 PolarHBondContact OD1-N 2.74Å; N138-E141 VanDerWaalsContact OD1-N 3.09Å; V139-E141 PolarHBondContact O-N 2.94Å; E141-H304 IonicContact OE1-CE1 3.44Å; E141-I305 HydrophobicContact CG-CD1 3.82Å; E141-L308 HydrophobicContact CG-CD2 4.18Å; E141-R321 PolarHBondContact O-NH1 2.86Å
142	R	90.2	Very high	87.3	Confident	51 Å²	51	34.5 Å²	34.5	19%	0.192	18%	0.177	C	C	.	.	S	Bend	trans	-67.4	138.7	-179.1	-63.2	169	176.9	176.3	0.1	110.1	V139 A140 R144 I145 R321	V139-R142 WeakPolarHBondContact O-CB 3.4Å; V139-R142 VanDerWaalsContact O-CG 3.31Å; V139-R142 WeakPolarHBondContact O-CG 3.47Å; V139-R142 PolarHBondContact O-N 2.94Å; V139-R142 VanDerWaalsContact O-N 3.09Å; A140-R142 VanDerWaalsContact C-N 3.31Å; A140-R142 PolarHBondContact O-N 2.88Å; R142-R144 HydrophobicContact CB-CG 4.34Å; R142-R144 PolarHBondContact O-N 3.11Å; R142-I145 HydrophobicContact CB-CB 4.42Å; R142-I145 HydrophobicContact CB-CG1 3.81Å; R142-I145 WeakPolarHBondContact O-CB 3.28Å; R142-I145 PolarHBondContact O-N 2.87Å; R142-R321 PolarHBondContact O-NH1 3.23Å
143	E	87.5	Confident	87.3	Confident	106 Å²	106	34.5 Å²	34.5	50%	0.495	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.9	-176.8	-62.3	-179.1	164.6	0	0	113.7	I145 Q312 R321	E143-I145 VanDerWaalsContact C-N 3.33Å; E143-Q312 PolarHBondContact O-NE2 3.19Å; E143-R321 HydrophobicContact CG-CB 4.17Å; E143-R321 PolarHBondContact OE1-N 2.84Å
144	R	91.3	Very high	87.5	Confident	70 Å²	70	34.3 Å²	34.3	26%	0.264	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-0.4	177.9	62.3	179.4	165.2	123.5	7.9	114.4	R142 S156 I157 Q158	R142-R144 HydrophobicContact CB-CG 4.34Å; R142-R144 PolarHBondContact O-N 3.11Å; R144-S156 WeakPolarHBondContact O-CA 3.18Å; R144-S156 PolarHBondContact O-OG 2.95Å; R144-I157 PolarHBondContact O-N 2.69Å; R144-Q158 HydrophobicContact CB-CB 4.15Å; R144-Q158 VanDerWaalsContact CD-OE1 3.27Å
145	I	92.3	Very high	87.5	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.7	-176	-63.1	-74	0	0	0	109.7	V139 R142 E143 P154 M155 Q169 H309	V139-I145 HydrophobicContact CG1-CD1 4.22Å; V139-I145 HydrophobicContact CG1-CG1 4.37Å; V139-I145 WeakPolarHBondContact O-CG1 3.31Å; R142-I145 HydrophobicContact CB-CB 4.42Å; R142-I145 HydrophobicContact CB-CG1 3.81Å; R142-I145 WeakPolarHBondContact O-CB 3.28Å; R142-I145 PolarHBondContact O-N 2.87Å; E143-I145 VanDerWaalsContact C-N 3.33Å; I145-P154 HydrophobicContact CD1-CB 4.48Å; I145-P154 HydrophobicContact CG2-CB 3.6Å; I145-M155 WeakPolarHBondContact CA-O 3.49Å; I145-Q169 HydrophobicContact CD1-CB 3.72Å; I145-Q169 HydrophobicContact CD1-CG 3.7Å; I145-H309 PolarHBondContact O-NE2 2.8Å
146	L	90	Very high	87.6	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.6	172.5	-63	175.5	0	0	0	110.2	M155 I157 P163 I276 H309 L313	L146-M155 PolarHBondContact N-O 2.96Å; L146-M155 PolarHBondContact O-N 2.74Å; L146-I157 HydrophobicContact CD1-CG2 3.59Å; L146-I157 HydrophobicContact CG-CG2 4.39Å; L146-P163 HydrophobicContact CD1-CB 4.16Å; L146-P163 HydrophobicContact CD1-CG 3.66Å; L146-I276 HydrophobicContact CD1-CG2 4.01Å; L146-H309 HydrophobicContact CD2-CB 4.46Å; L146-L313 HydrophobicContact CD2-CD1 4.29Å; L146-L313 HydrophobicContact CD2-CG 4.47Å
147	S	85.5	Confident	87.8	Confident	15 Å²	15	31.5 Å²	31.5	11%	0.105	16%	0.159	C	C	.	.			trans	-65.6	136.3	171.3	-93.3	0	0	0	0	110.6	R301 D306 H309	S147-R301 VanDerWaalsContact CB-NH2 3.27Å; S147-R301 PolarHBondContact OG-NH2 2.93Å; S147-R301 VanDerWaalsContact OG-NH2 3.17Å; S147-D306 WeakPolarHBondContact CB-OD1 3.14Å; S147-D306 PolarHBondContact OG-OD1 2.87Å; S147-H309 WeakPolarHBondContact CB-ND1 3.46Å; S147-H309 PolarHBondContact N-CE1 3.18Å; S147-H309 PolarHBondContact N-ND1 3.03Å; S147-H309 PolarHBondContact OG-ND1 3.29Å
148	S	82.7	Confident	88.1	Confident	11 Å²	11	31.5 Å²	31.5	8%	0.077	16%	0.161	C	C	.	.			trans	-123.1	148.1	165.2	177.2	0	0	0	0	109.2	V153 R301	S148-V153 WeakPolarHBondContact CB-O 3.48Å; S148-R301 PolarHBondContact O-NH1 2.68Å
149	M	71.9	Confident	88.1	Confident	8 Å²	8	32.5 Å²	32.5	4%	0.039	16%	0.162	C	C	.	.	S	Bend	trans	-85.4	-61.9	-175.7	178.6	132.4	156	0	0	112.4	G152 F251 Y268 L288 F299	M149-G152 WeakPolarHBondContact O-CA 3.42Å; M149-G152 PolarHBondContact O-N 2.93Å; M149-F251 HydrophobicContact CE-CE1 3.44Å; M149-F251 VanDerWaalsContact CE-CE1 3.44Å; M149-F251 HydrophobicContact CE-CZ 3.25Å; M149-F251 HydrophobicContact SD-CZ 4.01Å; M149-Y268 HydrophobicContact CE-CD1 4.39Å; M149-Y268 HydrophobicContact SD-CD1 3.28Å; M149-Y268 WeakPolarHBondContact SD-CD1 3.49Å; M149-Y268 HydrophobicContact SD-CE1 3.79Å; M149-Y268 HydrophobicContact SD-CG 4.12Å; M149-L288 HydrophobicContact CB-CD2 3.97Å; M149-L288 HydrophobicContact CE-CD1 3.61Å; M149-L288 HydrophobicContact CE-CD2 3.55Å; M149-L288 HydrophobicContact CE-CG 3.31Å; M149-L288 HydrophobicContact CG-CD2 3.77Å; M149-L288 HydrophobicContact CG-CG 4Å; M149-L288 HydrophobicContact SD-CD1 4.38Å; M149-L288 HydrophobicContact SD-CD2 3.16Å; M149-L288 WeakPolarHBondContact SD-CD2 3.44Å; M149-L288 HydrophobicContact SD-CG 3.63Å; M149-F299 HydrophobicContact CE-CD1 3.18Å; M149-F299 HydrophobicContact CE-CE1 3.09Å; M149-F299 HydrophobicContact CE-CG 4.01Å; M149-F299 HydrophobicContact CE-CZ 3.87Å; M149-F299 HydrophobicContact CG-CD1 4.15Å; M149-F299 HydrophobicContact CG-CE1 4.09Å; M149-F299 HydrophobicContact SD-CD1 4.18Å; M149-F299 HydrophobicContact SD-CE1 4.34Å
150	V	69.4	Low	88	Confident	70 Å²	70	34 Å²	34	42%	0.424	17%	0.173	S	C	.	.	S	Bend	trans	-109.5	113.1	176.7	-177.3	0	0	0	0	106.4	L291 F299	V150-L291 HydrophobicContact CG2-CD2 4.39Å; V150-F299 HydrophobicContact CG2-CE1 4.1Å
151	P	70.4	Confident	87.8	Confident	39 Å²	39	38.3 Å²	38.3	25%	0.253	21%	0.208	S	C	.	.	S	Bend	cis	-111.7	32.4	26.1	36.1	-25.7	0	0	0	115.3	V153 W362	P151-V153 HydrophobicContact CG-CG2 4.01Å; P151-W362 HydrophobicContact CG-CG 4.22Å
152	G	86.2	Confident	87.8	Confident	11 Å²	11	39.1 Å²	39.1	11%	0.113	22%	0.219	C	C	.	.	S	Bend	trans	81.9	10.7	176.3	0	0	0	0	0	115.3	M149	M149-G152 WeakPolarHBondContact O-CA 3.42Å; M149-G152 PolarHBondContact O-N 2.93Å
153	V	93.9	Very high	87.9	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.012	22%	0.22	C	C	.	.			trans	-109.9	150.6	177.7	-57.9	0	0	0	0	111	S148 P151 F165 V170 D358 W362	S148-V153 WeakPolarHBondContact CB-O 3.48Å; P151-V153 HydrophobicContact CG-CG2 4.01Å; V153-F165 HydrophobicContact CG2-CD1 3.78Å; V153-F165 HydrophobicContact CG2-CE1 3.62Å; V153-V170 HydrophobicContact CB-CG1 3.98Å; V153-V170 HydrophobicContact CB-CG2 4.47Å; V153-V170 HydrophobicContact CG1-CG1 4.16Å; V153-V170 HydrophobicContact CG2-CG1 4.25Å; V153-V170 HydrophobicContact CG2-CG2 4.32Å; V153-D358 HydrophobicContact CG1-CB 4.44Å; V153-W362 HydrophobicContact CG1-CB 3.8Å; V153-W362 HydrophobicContact CG1-CG 4.12Å; V153-W362 HydrophobicContact CG2-CB 4.39Å; V153-W362 HydrophobicContact CG2-CD2 4.15Å; V153-W362 HydrophobicContact CG2-CG 3.81Å
154	P	94.5	Very high	88.2	Confident	6 Å²	6	33.8 Å²	33.8	4%	0.039	20%	0.198	C	C	.	.			trans	-70.5	152.6	-177.2	26.8	-34.5	0	0	0	113.3	I145 V170 F173	I145-P154 HydrophobicContact CD1-CB 4.48Å; I145-P154 HydrophobicContact CG2-CB 3.6Å; P154-V170 WeakPolarHBondContact O-CG2 3.49Å; P154-F173 VanDerWaalsContact CD-CD1 3.43Å; P154-F173 HydrophobicContact CG-CB 3.65Å; P154-F173 HydrophobicContact CG-CD1 4.1Å; P154-F173 HydrophobicContact CG-CD2 4.03Å; P154-F173 HydrophobicContact CG-CG 3.68Å
155	M	93.9	Very high	88.4	Confident	19 Å²	19	32.9 Å²	32.9	9%	0.094	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	162.9	167.7	-65.7	178.2	92	0	0	110.8	I145 L146 P163 F165 P275	I145-M155 WeakPolarHBondContact CA-O 3.49Å; L146-M155 PolarHBondContact N-O 2.96Å; L146-M155 PolarHBondContact O-N 2.74Å; M155-P163 HydrophobicContact CB-CB 4.15Å; M155-P163 HydrophobicContact CE-CB 4.09Å; M155-P163 WeakPolarHBondContact CE-O 3.39Å; M155-P163 HydrophobicContact SD-CB 4.27Å; M155-F165 HydrophobicContact CE-CD2 4.28Å; M155-F165 HydrophobicContact CE-CE2 3.98Å; M155-F165 HydrophobicContact CE-CZ 4.14Å; M155-F165 HydrophobicContact CG-CD1 3.69Å; M155-F165 HydrophobicContact CG-CE1 3.4Å; M155-F165 VanDerWaalsContact CG-CE1 3.4Å; M155-F165 HydrophobicContact CG-CE2 4.44Å; M155-F165 HydrophobicContact CG-CG 4.32Å; M155-F165 HydrophobicContact CG-CZ 3.83Å; M155-F165 HydrophobicContact SD-CE1 4.22Å; M155-F165 HydrophobicContact SD-CE2 4.47Å; M155-F165 HydrophobicContact SD-CZ 4.03Å; M155-P275 HydrophobicContact SD-CB 3.66Å; M155-P275 HydrophobicContact SD-CG 4.2Å
156	S	94.4	Very high	88.6	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	149	178.4	-156.3	0	0	0	0	112.4	R144 Q158 P163 Y164 Q169	R144-S156 WeakPolarHBondContact O-CA 3.18Å; R144-S156 PolarHBondContact O-OG 2.95Å; S156-Q158 WeakPolarHBondContact OG-CB 3.33Å; S156-Q158 PolarHBondContact OG-N 3.17Å; S156-Q158 VanDerWaalsContact OG-N 3.16Å; S156-P163 CarbonylContact O-C 3.46Å; S156-P163 VanDerWaalsContact O-CA 3.29Å; S156-P163 WeakPolarHBondContact O-CA 3.44Å; S156-Y164 PolarHBondContact N-O 2.91Å; S156-Y164 WeakPolarHBondContact O-CD1 3.37Å; S156-Y164 WeakPolarHBondContact O-CE1 3.43Å; S156-Y164 PolarHBondContact O-N 2.82Å; S156-Q169 PolarHBondContact OG-NE2 3.3Å; S156-Q169 PolarHBondContact OG-OE1 2.95Å
157	I	92.9	Very high	89	Confident	49 Å²	49	33 Å²	33	25%	0.251	20%	0.197	S	C	.	.			trans	-118.1	21.9	163.1	56.4	168.7	0	0	0	112	R144 L146 W159 S160 P163	R144-I157 PolarHBondContact O-N 2.69Å; L146-I157 HydrophobicContact CD1-CG2 3.59Å; L146-I157 HydrophobicContact CG-CG2 4.39Å; I157-W159 PolarHBondContact O-N 2.97Å; I157-S160 CarbonylContact C-O 3.47Å; I157-S160 VanDerWaalsContact C-O 3.24Å; I157-S160 WeakPolarHBondContact CA-O 3.45Å; I157-S160 WeakPolarHBondContact CB-O 3.43Å; I157-S160 VanDerWaalsContact O-O 3.07Å; I157-P163 HydrophobicContact CG2-CB 4.1Å; I157-P163 HydrophobicContact CG2-CG 3.81Å
158	Q	92.8	Very high	89.6	Confident	66 Å²	66	32.4 Å²	32.4	31%	0.308	19%	0.193	S	C	.	.	S	Bend	trans	-66.5	-38.4	-168.9	-173.6	175	-9.3	0	0	114.1	R144 S156 Y164	R144-Q158 HydrophobicContact CB-CB 4.15Å; R144-Q158 VanDerWaalsContact CD-OE1 3.27Å; S156-Q158 WeakPolarHBondContact OG-CB 3.33Å; S156-Q158 PolarHBondContact OG-N 3.17Å; S156-Q158 VanDerWaalsContact OG-N 3.16Å; Q158-Y164 PolarHBondContact N-OH 3.25Å
159	W	92.6	Very high	90.4	Very high	56 Å²	56	31.9 Å²	31.9	21%	0.212	19%	0.189	C	C	.	.	S	Bend	trans	-119.4	3.8	178.4	-49.7	-71.4	0	0	0	113.3	I157 Y164 Y166 V377 R379	I157-W159 PolarHBondContact O-N 2.97Å; W159-Y164 AromaticContact CE3-CE2 3.76Å; W159-Y164 HydrophobicContact CE3-CE2 3.76Å; W159-Y164 AromaticContact CE3-CZ 3.53Å; W159-Y164 AromaticContact CZ3-CE2 3.81Å; W159-Y164 HydrophobicContact CZ3-CE2 3.81Å; W159-Y164 AromaticContact CZ3-CZ 3.79Å; W159-Y164 WeakPolarHBondContact CZ3-OH 3.16Å; W159-Y164 PolarHBondContact N-OH 2.81Å; W159-Y166 HydrophobicContact CE3-CD2 4.31Å; W159-Y166 HydrophobicContact CE3-CE2 4.34Å; W159-Y166 AromaticContact CH2-CD1 3.28Å; W159-Y166 HydrophobicContact CH2-CD1 3.28Å; W159-Y166 AromaticContact CH2-CD2 3.84Å; W159-Y166 HydrophobicContact CH2-CD2 3.84Å; W159-Y166 AromaticContact CH2-CE1 3Å; W159-Y166 HydrophobicContact CH2-CE1 3Å; W159-Y166 AromaticContact CH2-CE2 3.6Å; W159-Y166 HydrophobicContact CH2-CE2 3.6Å; W159-Y166 AromaticContact CH2-CG 3.68Å; W159-Y166 HydrophobicContact CH2-CG 3.68Å; W159-Y166 AromaticContact CH2-CZ 3.15Å; W159-Y166 AromaticContact CZ2-CE1 3.96Å; W159-Y166 HydrophobicContact CZ2-CE1 3.96Å; W159-Y166 AromaticContact CZ2-CZ 3.91Å; W159-Y166 AromaticContact CZ3-CD1 3.49Å; W159-Y166 HydrophobicContact CZ3-CD1 3.49Å; W159-Y166 VanDerWaalsContact CZ3-CD1 3.49Å; W159-Y166 AromaticContact CZ3-CD2 3.32Å; W159-Y166 HydrophobicContact CZ3-CD2 3.32Å; W159-Y166 AromaticContact CZ3-CE1 3.6Å; W159-Y166 HydrophobicContact CZ3-CE1 3.6Å; W159-Y166 AromaticContact CZ3-CE2 3.42Å; W159-Y166 HydrophobicContact CZ3-CE2 3.42Å; W159-Y166 VanDerWaalsContact CZ3-CE2 3.42Å; W159-Y166 AromaticContact CZ3-CG 3.34Å; W159-Y166 HydrophobicContact CZ3-CG 3.34Å; W159-Y166 AromaticContact CZ3-CZ 3.53Å; W159-V377 HydrophobicContact CB-CG2 4.16Å; W159-V377 HydrophobicContact CE3-CG2 4.07Å; W159-R379 HydrophobicContact CG-CG 4.31Å
160	S	92.6	Very high	91.6	Very high	33 Å²	33	31.5 Å²	31.5	23%	0.231	19%	0.187	C	C	.	.			trans	-148.3	138.4	-179.9	169.1	0	0	0	0	109	I157 V162	I157-S160 CarbonylContact C-O 3.47Å; I157-S160 VanDerWaalsContact C-O 3.24Å; I157-S160 WeakPolarHBondContact CA-O 3.45Å; I157-S160 WeakPolarHBondContact CB-O 3.43Å; I157-S160 VanDerWaalsContact O-O 3.07Å; S160-V162 WeakPolarHBondContact CB-O 3.5Å; S160-V162 PolarHBondContact OG-N 2.81Å; S160-V162 PolarHBondContact OG-O 3.45Å
161	A	88.7	Confident	93	Very high	100 Å²	100	28.1 Å²	28.1	83%	0.826	17%	0.167	S	C	*	.	S	Bend	trans	-68.1	-29.1	171.2	0	0	0	0	0	111.7	P163	A161-P163 WeakPolarHBondContact O-CD 3.42Å
162	V	89.9	Confident	94.3	Very high	106 Å²	106	26.8 Å²	26.8	64%	0.642	16%	0.157	S	C	*	.	S	Bend	trans	-77.8	122.9	171.3	-178.4	0	0	0	0	108.2	S160 Y164	S160-V162 WeakPolarHBondContact CB-O 3.5Å; S160-V162 PolarHBondContact OG-N 2.81Å; S160-V162 PolarHBondContact OG-O 3.45Å; V162-Y164 WeakPolarHBondContact O-CD1 3.45Å
163	P	91.7	Very high	94.9	Very high	32 Å²	32	26.9 Å²	26.9	21%	0.208	16%	0.155	C	C	.	.			trans	-63.3	142.1	-178.4	-22.6	34	0	0	0	112.9	L146 M155 S156 I157 A161 P275	L146-P163 HydrophobicContact CD1-CB 4.16Å; L146-P163 HydrophobicContact CD1-CG 3.66Å; M155-P163 HydrophobicContact CB-CB 4.15Å; M155-P163 HydrophobicContact CE-CB 4.09Å; M155-P163 WeakPolarHBondContact CE-O 3.39Å; M155-P163 HydrophobicContact SD-CB 4.27Å; S156-P163 CarbonylContact O-C 3.46Å; S156-P163 VanDerWaalsContact O-CA 3.29Å; S156-P163 WeakPolarHBondContact O-CA 3.44Å; I157-P163 HydrophobicContact CG2-CB 4.1Å; I157-P163 HydrophobicContact CG2-CG 3.81Å; A161-P163 WeakPolarHBondContact O-CD 3.42Å; P163-P275 HydrophobicContact CB-CG 3.91Å; P163-P275 HydrophobicContact CG-CG 3.73Å
164	Y	94.3	Very high	95.1	Very high	12 Å²	12	26.8 Å²	26.8	5%	0.047	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-144.7	156.6	178.2	59.8	-75.5	0	0	0	110.6	S156 Q158 W159 V162 Y166 V375 P376 V377	S156-Y164 PolarHBondContact N-O 2.91Å; S156-Y164 WeakPolarHBondContact O-CD1 3.37Å; S156-Y164 WeakPolarHBondContact O-CE1 3.43Å; S156-Y164 PolarHBondContact O-N 2.82Å; Q158-Y164 PolarHBondContact N-OH 3.25Å; W159-Y164 AromaticContact CE3-CE2 3.76Å; W159-Y164 HydrophobicContact CE3-CE2 3.76Å; W159-Y164 AromaticContact CE3-CZ 3.53Å; W159-Y164 AromaticContact CZ3-CE2 3.81Å; W159-Y164 HydrophobicContact CZ3-CE2 3.81Å; W159-Y164 AromaticContact CZ3-CZ 3.79Å; W159-Y164 WeakPolarHBondContact CZ3-OH 3.16Å; W159-Y164 PolarHBondContact N-OH 2.81Å; V162-Y164 WeakPolarHBondContact O-CD1 3.45Å; Y164-Y166 HydrophobicContact CE2-CD2 4.4Å; Y164-Y166 HydrophobicContact CE2-CG 4.39Å; Y164-Y166 PolarHBondContact O-N 3.06Å; Y164-V375 HydrophobicContact CE2-CG1 4.37Å; Y164-P376 HydrophobicContact CD2-CG 4.04Å; Y164-P376 HydrophobicContact CG-CG 4.27Å; Y164-V377 HydrophobicContact CD1-CG1 3.61Å; Y164-V377 HydrophobicContact CD1-CG2 4.39Å; Y164-V377 HydrophobicContact CD2-CG1 3.93Å; Y164-V377 HydrophobicContact CD2-CG2 3.89Å; Y164-V377 HydrophobicContact CE1-CG1 4.02Å; Y164-V377 HydrophobicContact CE1-CG2 4.08Å; Y164-V377 HydrophobicContact CE2-CG1 4.27Å; Y164-V377 HydrophobicContact CE2-CG2 3.48Å; Y164-V377 VanDerWaalsContact CE2-CG2 3.48Å; Y164-V377 HydrophobicContact CG-CG1 3.61Å; Y164-V377 HydrophobicContact CG-CG2 4.36Å
165	F	95.7	Very high	95.3	Very high	52 Å²	52	26.5 Å²	26.5	23%	0.228	15%	0.152	C	C	.	.			trans	-74.7	112	173	-63.3	-73.4	0	0	0	109.6	V153 M155 P167 V170 W362	V153-F165 HydrophobicContact CG2-CD1 3.78Å; V153-F165 HydrophobicContact CG2-CE1 3.62Å; M155-F165 HydrophobicContact CE-CD2 4.28Å; M155-F165 HydrophobicContact CE-CE2 3.98Å; M155-F165 HydrophobicContact CE-CZ 4.14Å; M155-F165 HydrophobicContact CG-CD1 3.69Å; M155-F165 HydrophobicContact CG-CE1 3.4Å; M155-F165 VanDerWaalsContact CG-CE1 3.4Å; M155-F165 HydrophobicContact CG-CE2 4.44Å; M155-F165 HydrophobicContact CG-CG 4.32Å; M155-F165 HydrophobicContact CG-CZ 3.83Å; M155-F165 HydrophobicContact SD-CE1 4.22Å; M155-F165 HydrophobicContact SD-CE2 4.47Å; M155-F165 HydrophobicContact SD-CZ 4.03Å; F165-P167 WeakPolarHBondContact O-CD 3.49Å; F165-V170 HydrophobicContact CB-CG2 4.49Å; F165-V170 HydrophobicContact CD1-CG2 4.41Å; F165-W362 HydrophobicContact CB-CH2 3.98Å; F165-W362 HydrophobicContact CB-CZ2 3.48Å; F165-W362 VanDerWaalsContact CB-CZ2 3.48Å; F165-W362 HydrophobicContact CD1-CZ2 4.29Å; F165-W362 HydrophobicContact CD2-CZ2 4.34Å; F165-W362 AromaticContact CG-CZ2 3.79Å; F165-W362 HydrophobicContact CG-CZ2 3.79Å
166	Y	97.6	Very high	95.4	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.012	15%	0.148	C	C	.	.			trans	-95.2	112.4	171.9	-177.4	-133.4	0	0	0	110.3	W159 Y164 V168 Q169 V170 V375 W392	W159-Y166 HydrophobicContact CE3-CD2 4.31Å; W159-Y166 HydrophobicContact CE3-CE2 4.34Å; W159-Y166 AromaticContact CH2-CD1 3.28Å; W159-Y166 HydrophobicContact CH2-CD1 3.28Å; W159-Y166 AromaticContact CH2-CD2 3.84Å; W159-Y166 HydrophobicContact CH2-CD2 3.84Å; W159-Y166 AromaticContact CH2-CE1 3Å; W159-Y166 HydrophobicContact CH2-CE1 3Å; W159-Y166 AromaticContact CH2-CE2 3.6Å; W159-Y166 HydrophobicContact CH2-CE2 3.6Å; W159-Y166 AromaticContact CH2-CG 3.68Å; W159-Y166 HydrophobicContact CH2-CG 3.68Å; W159-Y166 AromaticContact CH2-CZ 3.15Å; W159-Y166 AromaticContact CZ2-CE1 3.96Å; W159-Y166 HydrophobicContact CZ2-CE1 3.96Å; W159-Y166 AromaticContact CZ2-CZ 3.91Å; W159-Y166 AromaticContact CZ3-CD1 3.49Å; W159-Y166 HydrophobicContact CZ3-CD1 3.49Å; W159-Y166 VanDerWaalsContact CZ3-CD1 3.49Å; W159-Y166 AromaticContact CZ3-CD2 3.32Å; W159-Y166 HydrophobicContact CZ3-CD2 3.32Å; W159-Y166 AromaticContact CZ3-CE1 3.6Å; W159-Y166 HydrophobicContact CZ3-CE1 3.6Å; W159-Y166 AromaticContact CZ3-CE2 3.42Å; W159-Y166 HydrophobicContact CZ3-CE2 3.42Å; W159-Y166 VanDerWaalsContact CZ3-CE2 3.42Å; W159-Y166 AromaticContact CZ3-CG 3.34Å; W159-Y166 HydrophobicContact CZ3-CG 3.34Å; W159-Y166 AromaticContact CZ3-CZ 3.53Å; Y164-Y166 HydrophobicContact CE2-CD2 4.4Å; Y164-Y166 HydrophobicContact CE2-CG 4.39Å; Y164-Y166 PolarHBondContact O-N 3.06Å; Y166-V168 VanDerWaalsContact C-N 3.29Å; Y166-V168 HydrophobicContact CD1-CB 3.79Å; Y166-V168 HydrophobicContact CD1-CG2 4.31Å; Y166-V168 HydrophobicContact CE1-CB 3.29Å; Y166-V168 HydrophobicContact CE1-CG1 4.13Å; Y166-V168 HydrophobicContact CE1-CG2 3.49Å; Y166-V168 VanDerWaalsContact CE1-CG2 3.49Å; Y166-V168 HydrophobicContact CE2-CB 4.49Å; Y166-V168 HydrophobicContact CE2-CG2 4Å; Y166-V168 PolarHBondContact O-N 2.87Å; Y166-V168 VanDerWaalsContact O-N 3.14Å; Y166-V168 WeakPolarHBondContact OH-CG2 3.21Å; Y166-Q169 HydrophobicContact CD1-CB 4.15Å; Y166-Q169 HydrophobicContact CD1-CG 3.7Å; Y166-Q169 HydrophobicContact CE1-CG 4.47Å; Y166-Q169 PolarHBondContact O-N 2.86Å; Y166-V170 PolarHBondContact O-N 2.84Å; Y166-V375 HydrophobicContact CD2-CG1 4.03Å; Y166-V375 HydrophobicContact CD2-CG2 3.94Å; Y166-V375 HydrophobicContact CE2-CG1 4.26Å; Y166-V375 HydrophobicContact CE2-CG2 3.78Å; Y166-W392 AromaticContact CE2-CH2 3.93Å; Y166-W392 HydrophobicContact CE2-CH2 3.93Å
167	P	98.2	Very high	95.6	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.013	15%	0.151	C	C	.	.	H	α-helix	trans	-55.2	-38.1	-171.9	-30.6	39.1	0	0	0	114.4	F165 Q169 V170 S171 W373 A397	F165-P167 WeakPolarHBondContact O-CD 3.49Å; P167-Q169 VanDerWaalsContact C-N 3.34Å; P167-Q169 PolarHBondContact O-N 2.93Å; P167-V170 PolarHBondContact O-N 2.86Å; P167-S171 WeakPolarHBondContact O-CB 3.43Å; P167-S171 PolarHBondContact O-N 2.97Å; P167-S171 PolarHBondContact O-OG 2.7Å; P167-W373 HydrophobicContact CB-CB 3.61Å; P167-W373 HydrophobicContact CB-CG 4.34Å; P167-W373 HydrophobicContact CG-CB 3.39Å; P167-W373 HydrophobicContact CG-CG 4.45Å; P167-A397 HydrophobicContact CB-CB 3.82Å
168	V	98.3	Very high	95.8	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-58.4	-46.7	175.2	-179.8	0	0	0	0	111	Y166 Q172 M396 A397	Y166-V168 VanDerWaalsContact C-N 3.29Å; Y166-V168 HydrophobicContact CD1-CB 3.79Å; Y166-V168 HydrophobicContact CD1-CG2 4.31Å; Y166-V168 HydrophobicContact CE1-CB 3.29Å; Y166-V168 HydrophobicContact CE1-CG1 4.13Å; Y166-V168 HydrophobicContact CE1-CG2 3.49Å; Y166-V168 VanDerWaalsContact CE1-CG2 3.49Å; Y166-V168 HydrophobicContact CE2-CB 4.49Å; Y166-V168 HydrophobicContact CE2-CG2 4Å; Y166-V168 PolarHBondContact O-N 2.87Å; Y166-V168 VanDerWaalsContact O-N 3.14Å; Y166-V168 WeakPolarHBondContact OH-CG2 3.21Å; V168-Q172 HydrophobicContact CG1-CG 4.21Å; V168-Q172 VanDerWaalsContact O-CB 3.22Å; V168-Q172 WeakPolarHBondContact O-CB 3.47Å; V168-Q172 WeakPolarHBondContact O-CG 3.29Å; V168-Q172 PolarHBondContact O-N 2.99Å; V168-M396 HydrophobicContact CG1-CE 3.96Å; V168-M396 HydrophobicContact CG1-CG 4.08Å; V168-M396 HydrophobicContact CG1-SD 4.08Å; V168-M396 HydrophobicContact CG2-CB 4.39Å; V168-M396 HydrophobicContact CG2-CG 4.43Å; V168-A397 HydrophobicContact CG2-CB 3.66Å
169	Q	97.7	Very high	95.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-72.4	-36.9	-177	-76	163.4	23.2	0	0	112.1	I145 S156 Y166 P167 Q172 F173	I145-Q169 HydrophobicContact CD1-CB 3.72Å; I145-Q169 HydrophobicContact CD1-CG 3.7Å; S156-Q169 PolarHBondContact OG-NE2 3.3Å; S156-Q169 PolarHBondContact OG-OE1 2.95Å; Y166-Q169 HydrophobicContact CD1-CB 4.15Å; Y166-Q169 HydrophobicContact CD1-CG 3.7Å; Y166-Q169 HydrophobicContact CE1-CG 4.47Å; Y166-Q169 PolarHBondContact O-N 2.86Å; P167-Q169 VanDerWaalsContact C-N 3.34Å; P167-Q169 PolarHBondContact O-N 2.93Å; Q169-Q172 PolarHBondContact O-N 2.81Å; Q169-F173 WeakPolarHBondContact O-CB 3.34Å; Q169-F173 PolarHBondContact O-N 3.04Å
170	V	98.1	Very high	96	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.8	-50.6	173.2	173.7	0	0	0	0	109.9	V153 P154 F165 Y166 P167 Q172 F173 G174 T359 W362	V153-V170 HydrophobicContact CB-CG1 3.98Å; V153-V170 HydrophobicContact CB-CG2 4.47Å; V153-V170 HydrophobicContact CG1-CG1 4.16Å; V153-V170 HydrophobicContact CG2-CG1 4.25Å; V153-V170 HydrophobicContact CG2-CG2 4.32Å; P154-V170 WeakPolarHBondContact O-CG2 3.49Å; F165-V170 HydrophobicContact CB-CG2 4.49Å; F165-V170 HydrophobicContact CD1-CG2 4.41Å; Y166-V170 PolarHBondContact O-N 2.84Å; P167-V170 PolarHBondContact O-N 2.86Å; V170-Q172 PolarHBondContact O-N 3.46Å; V170-F173 WeakPolarHBondContact O-CB 3.27Å; V170-F173 PolarHBondContact O-N 2.86Å; V170-G174 PolarHBondContact O-N 3.16Å; V170-G174 VanDerWaalsContact O-N 3.13Å; V170-T359 HydrophobicContact CG1-CG2 3.85Å; V170-T359 WeakPolarHBondContact O-CG2 3.38Å; V170-W362 HydrophobicContact CB-CE3 4.3Å; V170-W362 HydrophobicContact CB-CZ3 4.19Å; V170-W362 HydrophobicContact CG1-CD2 3.99Å; V170-W362 HydrophobicContact CG1-CE3 3.46Å; V170-W362 VanDerWaalsContact CG1-CE3 3.46Å; V170-W362 HydrophobicContact CG1-CZ3 3.84Å; V170-W362 HydrophobicContact CG2-CH2 4.44Å; V170-W362 HydrophobicContact CG2-CZ3 4.34Å
171	S	98.7	Very high	96.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65	-39.4	177.8	-54.3	0	0	0	0	112.5	P167 F173 G174 L175 H400 A401 V404	P167-S171 WeakPolarHBondContact O-CB 3.43Å; P167-S171 PolarHBondContact O-N 2.97Å; P167-S171 PolarHBondContact O-OG 2.7Å; S171-F173 VanDerWaalsContact C-N 3.3Å; S171-F173 PolarHBondContact O-N 2.87Å; S171-G174 PolarHBondContact O-N 3.2Å; S171-L175 VanDerWaalsContact O-CG 3.31Å; S171-L175 WeakPolarHBondContact O-CG 3.48Å; S171-L175 PolarHBondContact O-N 3.4Å; S171-H400 VanDerWaalsContact CB-CB 3.4Å; S171-A401 WeakPolarHBondContact OG-CA 3.3Å; S171-A401 PolarHBondContact OG-N 3.06Å; S171-V404 WeakPolarHBondContact O-CG2 3.11Å
172	Q	98.3	Very high	96.3	Very high	10 Å²	10	19 Å²	19	5%	0.047	10%	0.098	C	C	.	.	H	α-helix	trans	-59.7	-39.7	175.1	-80	-176.7	-16.9	0	0	112.6	F134 V139 V168 Q169 V170 L175 E176	F134-Q172 HydrophobicContact CE1-CB 3.67Å; F134-Q172 HydrophobicContact CE1-CG 3.53Å; F134-Q172 HydrophobicContact CZ-CB 4.39Å; F134-Q172 HydrophobicContact CZ-CG 3.73Å; V139-Q172 HydrophobicContact CG2-CB 4.11Å; V168-Q172 HydrophobicContact CG1-CG 4.21Å; V168-Q172 VanDerWaalsContact O-CB 3.22Å; V168-Q172 WeakPolarHBondContact O-CB 3.47Å; V168-Q172 WeakPolarHBondContact O-CG 3.29Å; V168-Q172 PolarHBondContact O-N 2.99Å; Q169-Q172 PolarHBondContact O-N 2.81Å; V170-Q172 PolarHBondContact O-N 3.46Å; Q172-L175 PolarHBondContact O-N 2.89Å; Q172-E176 WeakPolarHBondContact O-CB 3.42Å; Q172-E176 PolarHBondContact O-N 3.47Å
173	F	97.9	Very high	96.1	Very high	14 Å²	14	19.9 Å²	19.9	6%	0.061	10%	0.098	C	C	.	.	H	α-helix	trans	-62.9	-44.2	174.1	175.1	-100.3	0	0	0	111.4	V139 A140 P154 Q169 V170 S171 L175 E176 H177 N355 T359	V139-F173 HydrophobicContact CB-CB 4.38Å; V139-F173 HydrophobicContact CG1-CB 4.13Å; A140-F173 HydrophobicContact CB-CE2 4.42Å; P154-F173 VanDerWaalsContact CD-CD1 3.43Å; P154-F173 HydrophobicContact CG-CB 3.65Å; P154-F173 HydrophobicContact CG-CD1 4.1Å; P154-F173 HydrophobicContact CG-CD2 4.03Å; P154-F173 HydrophobicContact CG-CG 3.68Å; Q169-F173 WeakPolarHBondContact O-CB 3.34Å; Q169-F173 PolarHBondContact O-N 3.04Å; V170-F173 WeakPolarHBondContact O-CB 3.27Å; V170-F173 PolarHBondContact O-N 2.86Å; S171-F173 VanDerWaalsContact C-N 3.3Å; S171-F173 PolarHBondContact O-N 2.87Å; F173-L175 PolarHBondContact O-N 3.05Å; F173-E176 PolarHBondContact O-N 3.22Å; F173-H177 AromaticContact CD2-CD2 3.65Å; F173-H177 AromaticContact CD2-NE2 3.76Å; F173-H177 AromaticContact CE1-CD2 3.82Å; F173-H177 AromaticContact CE2-CD2 3.38Å; F173-H177 WeakPolarHBondContact CE2-CD2 3.38Å; F173-H177 AromaticContact CE2-NE2 3.08Å; F173-H177 WeakPolarHBondContact CE2-NE2 3.37Å; F173-H177 AromaticContact CG-CD2 3.99Å; F173-H177 AromaticContact CZ-CD2 3.48Å; F173-H177 VanDerWaalsContact CZ-CD2 3.48Å; F173-H177 WeakPolarHBondContact CZ-CD2 3.31Å; F173-H177 AromaticContact CZ-NE2 3.32Å; F173-H177 VanDerWaalsContact CZ-NE2 3.32Å; F173-H177 WeakPolarHBondContact CZ-NE2 3.47Å; F173-H177 PolarHBondContact O-CD2 3.38Å; F173-H177 VanDerWaalsContact O-CD2 3.31Å; F173-H177 PolarHBondContact O-N 3.3Å; F173-N355 HydrophobicContact CE1-CB 3.72Å; F173-N355 HydrophobicContact CZ-CB 3.78Å; F173-T359 WeakPolarHBondContact CD1-OG1 3.39Å
174	G	98.2	Very high	95.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60	-46	172.6	0	0	0	0	0	113.1	V170 S171 E176 H177 Y178 F356	V170-G174 PolarHBondContact O-N 3.16Å; V170-G174 VanDerWaalsContact O-N 3.13Å; S171-G174 PolarHBondContact O-N 3.2Å; G174-E176 PolarHBondContact O-N 3.49Å; G174-H177 PolarHBondContact O-N 2.74Å; G174-Y178 WeakPolarHBondContact O-CB 3.23Å; G174-Y178 PolarHBondContact O-N 2.87Å; G174-F356 WeakPolarHBondContact O-CD2 3.45Å
175	L	98.5	Very high	94.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.1	-37.4	-179.4	-67.2	166.6	0	0	0	112.6	F131 F134 S171 Q172 F173 S179 H400 V404	F131-L175 HydrophobicContact CB-CB 4.16Å; F131-L175 HydrophobicContact CB-CD2 3.89Å; F131-L175 HydrophobicContact CB-CG 4.45Å; F131-L175 HydrophobicContact CD1-CB 4.16Å; F131-L175 HydrophobicContact CD1-CD1 3.64Å; F131-L175 HydrophobicContact CD1-CD2 4.28Å; F131-L175 HydrophobicContact CD1-CG 4.22Å; F131-L175 HydrophobicContact CD2-CD1 4.37Å; F131-L175 HydrophobicContact CD2-CD2 3.96Å; F131-L175 HydrophobicContact CE1-CD1 3.71Å; F131-L175 HydrophobicContact CE2-CD1 4.42Å; F131-L175 HydrophobicContact CG-CB 4.28Å; F131-L175 HydrophobicContact CG-CD1 3.99Å; F131-L175 HydrophobicContact CG-CD2 3.77Å; F131-L175 HydrophobicContact CG-CG 4.21Å; F131-L175 HydrophobicContact CZ-CD1 4.1Å; F134-L175 HydrophobicContact CD1-CB 4.09Å; F134-L175 HydrophobicContact CG-CB 4.33Å; S171-L175 VanDerWaalsContact O-CG 3.31Å; S171-L175 WeakPolarHBondContact O-CG 3.48Å; S171-L175 PolarHBondContact O-N 3.4Å; Q172-L175 PolarHBondContact O-N 2.89Å; F173-L175 PolarHBondContact O-N 3.05Å; L175-S179 VanDerWaalsContact O-CB 3.25Å; L175-S179 WeakPolarHBondContact O-CB 3.2Å; L175-S179 PolarHBondContact O-N 3.24Å; L175-S179 PolarHBondContact O-OG 2.84Å; L175-H400 HydrophobicContact CD1-CB 3.72Å; L175-H400 WeakPolarHBondContact CD1-CD2 3.2Å; L175-V404 HydrophobicContact CD1-CG2 4.34Å; L175-V404 HydrophobicContact CD2-CG2 3.72Å; L175-V404 HydrophobicContact CG-CG2 3.58Å
176	E	97.1	Very high	93	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-58.3	-57.6	170.4	177.5	-159	152	0	0	110.8	F134 Y137 V139 Q172 F173 G174 Y178 S179 R180	F134-E176 HydrophobicContact CD1-CB 4.42Å; Y137-E176 VanDerWaalsContact O-CG 3.24Å; Y137-E176 WeakPolarHBondContact O-CG 3.5Å; V139-E176 WeakPolarHBondContact CA-OE2 3.42Å; V139-E176 WeakPolarHBondContact CB-OE2 3.22Å; V139-E176 HydrophobicContact CG2-CB 4.28Å; V139-E176 WeakPolarHBondContact CG2-OE2 3.25Å; V139-E176 PolarHBondContact N-OE2 3.06Å; Q172-E176 WeakPolarHBondContact O-CB 3.42Å; Q172-E176 PolarHBondContact O-N 3.47Å; F173-E176 PolarHBondContact O-N 3.22Å; G174-E176 PolarHBondContact O-N 3.49Å; E176-Y178 VanDerWaalsContact C-N 3.33Å; E176-Y178 PolarHBondContact O-N 2.81Å; E176-S179 PolarHBondContact O-N 3.13Å; E176-S179 VanDerWaalsContact O-N 3.11Å; E176-R180 WeakPolarHBondContact O-CG 3.49Å; E176-R180 PolarHBondContact O-N 3.47Å; E176-R180 IonicContact OE1-CZ 3.36Å; E176-R180 IonicContact OE1-NE 3.89Å; E176-R180 IonicContact OE1-NH1 3.19Å; E176-R180 PolarHBondContact OE1-NH1 3.15Å
177	H	97.1	Very high	91.3	Very high	15 Å²	15	35.1 Å²	35.1	7%	0.069	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-41.4	-176.1	-85.8	-73	0	0	0	111.6	F173 G174 S179 R180 S181 H352 N355 F356	F173-H177 AromaticContact CD2-CD2 3.65Å; F173-H177 AromaticContact CD2-NE2 3.76Å; F173-H177 AromaticContact CE1-CD2 3.82Å; F173-H177 AromaticContact CE2-CD2 3.38Å; F173-H177 WeakPolarHBondContact CE2-CD2 3.38Å; F173-H177 AromaticContact CE2-NE2 3.08Å; F173-H177 WeakPolarHBondContact CE2-NE2 3.37Å; F173-H177 AromaticContact CG-CD2 3.99Å; F173-H177 AromaticContact CZ-CD2 3.48Å; F173-H177 VanDerWaalsContact CZ-CD2 3.48Å; F173-H177 WeakPolarHBondContact CZ-CD2 3.31Å; F173-H177 AromaticContact CZ-NE2 3.32Å; F173-H177 VanDerWaalsContact CZ-NE2 3.32Å; F173-H177 WeakPolarHBondContact CZ-NE2 3.47Å; F173-H177 PolarHBondContact O-CD2 3.38Å; F173-H177 VanDerWaalsContact O-CD2 3.31Å; F173-H177 PolarHBondContact O-N 3.3Å; G174-H177 PolarHBondContact O-N 2.74Å; H177-S179 PolarHBondContact O-N 3.1Å; H177-R180 PolarHBondContact O-N 2.7Å; H177-S181 WeakPolarHBondContact O-CB 3.36Å; H177-S181 PolarHBondContact O-N 3.33Å; H177-H352 HydrophobicContact CB-CB 4.42Å; H177-H352 WeakPolarHBondContact CB-O 3.48Å; H177-H352 AromaticContact CE1-ND1 3.65Å; H177-H352 AromaticContact CG-ND1 3.91Å; H177-H352 AromaticContact ND1-CE1 3.91Å; H177-H352 AromaticContact ND1-CG 3.77Å; H177-H352 AromaticContact ND1-ND1 2.94Å; H177-H352 PolarHBondContact ND1-ND1 2.74Å; H177-H352 WeakPolarHBondContact O-CB 3.49Å; H177-N355 HydrophobicContact CB-CB 4.2Å; H177-N355 PolarHBondContact CE1-ND2 3.16Å; H177-N355 PolarHBondContact NE2-ND2 2.85Å; H177-N355 VanDerWaalsContact NE2-ND2 3.16Å; H177-F356 HydrophobicContact CB-CB 4.35Å
178	Y	97.5	Very high	89.8	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-55.8	-52.9	171.1	-178.3	-91.6	0	0	0	111.8	E128 G129 G174 E176 R180 S181 L182 F356 R407 L411	E128-Y178 WeakPolarHBondContact O-CE1 3.35Å; E128-Y178 PolarHBondContact O-OH 3.46Å; G129-Y178 WeakPolarHBondContact O-CE1 3.24Å; G174-Y178 WeakPolarHBondContact O-CB 3.23Å; G174-Y178 PolarHBondContact O-N 2.87Å; E176-Y178 VanDerWaalsContact C-N 3.33Å; E176-Y178 PolarHBondContact O-N 2.81Å; Y178-R180 VanDerWaalsContact C-N 3.29Å; Y178-R180 PolarHBondContact O-N 2.83Å; Y178-S181 WeakPolarHBondContact O-CB 3.22Å; Y178-S181 PolarHBondContact O-N 3.13Å; Y178-S181 VanDerWaalsContact O-N 3.09Å; Y178-S181 PolarHBondContact O-OG 3.31Å; Y178-L182 HydrophobicContact CD1-CD1 4.29Å; Y178-L182 HydrophobicContact CE1-CD1 3.73Å; Y178-L182 HydrophobicContact CE1-CD2 4.47Å; Y178-L182 HydrophobicContact CE1-CG 4.2Å; Y178-L182 PolarHBondContact O-N 3.36Å; Y178-F356 HydrophobicContact CD2-CD1 4.16Å; Y178-F356 HydrophobicContact CD2-CD2 4.12Å; Y178-F356 AromaticContact CD2-CE1 3.85Å; Y178-F356 HydrophobicContact CD2-CE1 3.85Å; Y178-F356 AromaticContact CD2-CE2 3.76Å; Y178-F356 HydrophobicContact CD2-CE2 3.76Å; Y178-F356 HydrophobicContact CD2-CG 4.27Å; Y178-F356 AromaticContact CD2-CZ 3.62Å; Y178-F356 HydrophobicContact CD2-CZ 3.62Å; Y178-F356 HydrophobicContact CE2-CE1 4.44Å; Y178-F356 HydrophobicContact CE2-CZ 4.26Å; Y178-F356 HydrophobicContact CG-CD2 4.32Å; Y178-F356 HydrophobicContact CG-CE2 4.1Å; Y178-F356 HydrophobicContact CG-CZ 4.4Å; Y178-R407 HydrophobicContact CD1-CG 4.19Å; Y178-R407 HydrophobicContact CD2-CB 3.89Å; Y178-R407 HydrophobicContact CD2-CG 4.32Å; Y178-R407 HydrophobicContact CE1-CB 4.36Å; Y178-R407 HydrophobicContact CE1-CG 3.78Å; Y178-R407 HydrophobicContact CE2-CB 3.59Å; Y178-R407 HydrophobicContact CE2-CG 3.92Å; Y178-R407 HydrophobicContact CG-CB 4.38Å; Y178-R407 HydrophobicContact CG-CG 4.43Å; Y178-L411 HydrophobicContact CD2-CD1 4.14Å; Y178-L411 HydrophobicContact CE2-CD1 3.64Å; Y178-L411 HydrophobicContact CE2-CG 4.08Å
179	S	96	Very high	88.3	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-36.3	-174.8	-57.1	0	0	0	0	112.2	S130 F131 L175 E176 H177	S130-S179 WeakPolarHBondContact OG-CB 3.42Å; F131-S179 PolarHBondContact N-OG 3.29Å; L175-S179 VanDerWaalsContact O-CB 3.25Å; L175-S179 WeakPolarHBondContact O-CB 3.2Å; L175-S179 PolarHBondContact O-N 3.24Å; L175-S179 PolarHBondContact O-OG 2.84Å; E176-S179 PolarHBondContact O-N 3.13Å; E176-S179 VanDerWaalsContact O-N 3.11Å; H177-S179 PolarHBondContact O-N 3.1Å
180	R	94.6	Very high	87	Confident	56 Å²	56	43.9 Å²	43.9	21%	0.211	23%	0.225	C	C	.	.	H	α-helix	trans	-71.6	-34.6	174.1	-70.9	-177.9	166.9	-176.1	-19.9	112.8	A135 Y137 E176 H177 Y178 L182 I183 V184	A135-R180 HydrophobicContact CB-CG 4.46Å; A135-R180 WeakPolarHBondContact O-CG 3.26Å; A135-R180 PolarHBondContact O-NE 3.24Å; Y137-R180 PolarHBondContact O-NE 2.9Å; Y137-R180 PolarHBondContact O-NH1 2.85Å; Y137-R180 PolarHBondContact O-NH2 2.68Å; E176-R180 WeakPolarHBondContact O-CG 3.49Å; E176-R180 PolarHBondContact O-N 3.47Å; E176-R180 IonicContact OE1-CZ 3.36Å; E176-R180 IonicContact OE1-NE 3.89Å; E176-R180 IonicContact OE1-NH1 3.19Å; E176-R180 PolarHBondContact OE1-NH1 3.15Å; H177-R180 PolarHBondContact O-N 2.7Å; Y178-R180 VanDerWaalsContact C-N 3.29Å; Y178-R180 PolarHBondContact O-N 2.83Å; R180-L182 PolarHBondContact O-N 3.03Å; R180-I183 PolarHBondContact O-N 3.36Å; R180-V184 PolarHBondContact O-N 3.28Å
181	S	94.3	Very high	86.1	Confident	5 Å²	5	47.3 Å²	47.3	4%	0.035	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-32.2	176.3	77.4	0	0	0	0	112.1	H177 Y178 I183 F185	H177-S181 WeakPolarHBondContact O-CB 3.36Å; H177-S181 PolarHBondContact O-N 3.33Å; Y178-S181 WeakPolarHBondContact O-CB 3.22Å; Y178-S181 PolarHBondContact O-N 3.13Å; Y178-S181 VanDerWaalsContact O-N 3.09Å; Y178-S181 PolarHBondContact O-OG 3.31Å; S181-I183 VanDerWaalsContact C-N 3.28Å; S181-I183 PolarHBondContact O-N 2.99Å; S181-F185 WeakPolarHBondContact O-CA 3.44Å; S181-F185 VanDerWaalsContact O-CB 3.27Å; S181-F185 WeakPolarHBondContact O-CB 3.22Å; S181-F185 PolarHBondContact O-N 3.4Å; S181-F185 VanDerWaalsContact O-N 3.1Å
182	L	92	Very high	85.4	Confident	85 Å²	85	51.6 Å²	51.6	45%	0.445	26%	0.259	S	S	.	.	H	α-helix	trans	-69.3	-23.9	177	-61.6	179.2	0	0	0	113.6	Y178 R180	Y178-L182 HydrophobicContact CD1-CD1 4.29Å; Y178-L182 HydrophobicContact CE1-CD1 3.73Å; Y178-L182 HydrophobicContact CE1-CD2 4.47Å; Y178-L182 HydrophobicContact CE1-CG 4.2Å; Y178-L182 PolarHBondContact O-N 3.36Å; R180-L182 PolarHBondContact O-N 3.03Å
183	I	87.5	Confident	84.9	Confident	124 Å²	124	52 Å²	52	64%	0.636	27%	0.265	S	S	*	.	H	α-helix	trans	-93.3	-37	-177.4	-58.5	172.6	0	0	0	110.7	A135 R180 S181	A135-I183 HydrophobicContact CB-CD1 3.58Å; R180-I183 PolarHBondContact O-N 3.36Å; S181-I183 VanDerWaalsContact C-N 3.28Å; S181-I183 PolarHBondContact O-N 2.99Å
184	V	82	Confident	84.3	Confident	40 Å²	40	53.1 Å²	53.1	24%	0.242	28%	0.276	C	S	.	.	H	α-helix	trans	-108.3	6	-168	-167.3	0	0	0	0	112	R180 E186 K187 E188	R180-V184 PolarHBondContact O-N 3.28Å; V184-E186 VanDerWaalsContact C-N 3.34Å; V184-E186 PolarHBondContact O-N 2.97Å; V184-E186 VanDerWaalsContact O-N 3.14Å; V184-K187 HydrophobicContact CG1-CB 3.84Å; V184-K187 HydrophobicContact CG1-CD 4.35Å; V184-K187 HydrophobicContact CG1-CG 4.36Å; V184-K187 PolarHBondContact O-N 3.1Å; V184-E188 PolarHBondContact O-N 3.28Å
185	F	69.8	Low	83.6	Confident	110 Å²	110	53.8 Å²	53.8	48%	0.482	28%	0.279	S	S	.	.	H	α-helix	trans	-47.9	-48.9	-170.4	-172.2	-102.8	0	0	0	114.5	S181 N189 L353	S181-F185 WeakPolarHBondContact O-CA 3.44Å; S181-F185 VanDerWaalsContact O-CB 3.27Å; S181-F185 WeakPolarHBondContact O-CB 3.22Å; S181-F185 PolarHBondContact O-N 3.4Å; S181-F185 VanDerWaalsContact O-N 3.1Å; F185-N189 PolarHBondContact O-ND2 3.13Å; F185-L353 HydrophobicContact CD2-CD1 4.36Å; F185-L353 HydrophobicContact CE2-CD1 3.96Å
186	E	62.9	Low	82.2	Confident	169 Å²	169	59.3 Å²	59.3	79%	0.79	30%	0.303	S	S	*	.	H	α-helix	trans	-68.9	-43.5	-179.3	-65.7	-177.4	168	0	0	111.7	V184 E188 N189 A190	V184-E186 VanDerWaalsContact C-N 3.34Å; V184-E186 PolarHBondContact O-N 2.97Å; V184-E186 VanDerWaalsContact O-N 3.14Å; E186-E188 PolarHBondContact O-N 3.42Å; E186-N189 PolarHBondContact O-N 3.43Å; E186-A190 PolarHBondContact O-N 3.28Å; E186-A190 VanDerWaalsContact O-N 3.15Å
187	K	63	Low	80.6	Confident	100 Å²	100	66.4 Å²	66.4	44%	0.435	33%	0.33	S	S	.	.	H	α-helix	trans	-65.9	-38.3	-179.5	-171.5	177.9	179.7	-177	0	111.9	V184 N189 A190 E191	V184-K187 HydrophobicContact CG1-CB 3.84Å; V184-K187 HydrophobicContact CG1-CD 4.35Å; V184-K187 HydrophobicContact CG1-CG 4.36Å; V184-K187 PolarHBondContact O-N 3.1Å; K187-N189 PolarHBondContact O-N 3.28Å; K187-A190 PolarHBondContact O-N 3.45Å; K187-E191 WeakPolarHBondContact CE-OE1 3.33Å; K187-E191 WeakPolarHBondContact CE-OE2 3.29Å; K187-E191 HydrophobicContact CG-CG 4.48Å; K187-E191 IonicContact NZ-OE1 2.86Å; K187-E191 IonicContact NZ-OE2 2.85Å; K187-E191 PolarHBondContact O-N 2.94Å
188	E	66.9	Low	78.3	Confident	14 Å²	14	77.1 Å²	77.1	7%	0.065	37%	0.37	C	S	.	.	H	α-helix	trans	-60.6	-33.4	176.9	-173.1	173.3	171.3	0	0	111.6	V184 E186 K192 A351 H352	V184-E188 PolarHBondContact O-N 3.28Å; E186-E188 PolarHBondContact O-N 3.42Å; E188-K192 WeakPolarHBondContact O-CE 3.22Å; E188-A351 VanDerWaalsContact OE1-CA 3.25Å; E188-A351 WeakPolarHBondContact OE1-CA 3.29Å; E188-H352 PolarHBondContact OE1-N 2.92Å; E188-H352 IonicContact OE2-CD2 3.02Å
189	N	66	Low	76.1	Confident	92 Å²	92	78.4 Å²	78.4	49%	0.492	38%	0.38	S	S	.	.	H	α-helix	trans	-85.8	-25.3	179.3	-74.4	-39.6	0	0	0	114.3	F185 E186 K187 K192	F185-N189 PolarHBondContact O-ND2 3.13Å; E186-N189 PolarHBondContact O-N 3.43Å; K187-N189 PolarHBondContact O-N 3.28Å; N189-K192 PolarHBondContact OD1-NZ 3.28Å
190	A	70.9	Confident	73.7	Confident	83 Å²	83	84.4 Å²	84.4	69%	0.686	42%	0.422	S	S	*	.	H	α-helix	trans	-82.7	-37.8	-178.7	0	0	0	0	0	113.8	E186 K187 K192	E186-A190 PolarHBondContact O-N 3.28Å; E186-A190 VanDerWaalsContact O-N 3.15Å; K187-A190 PolarHBondContact O-N 3.45Å; A190-K192 PolarHBondContact O-N 2.95Å
191	E	79.5	Confident	71.4	Confident	72 Å²	72	86.1 Å²	86.1	34%	0.336	44%	0.438	S	S	.	.	S	Bend	trans	-99.4	72.8	-171.1	-67.8	178	179.7	0	0	112.3	K187 P349	K187-E191 WeakPolarHBondContact CE-OE1 3.33Å; K187-E191 WeakPolarHBondContact CE-OE2 3.29Å; K187-E191 HydrophobicContact CG-CG 4.48Å; K187-E191 IonicContact NZ-OE1 2.86Å; K187-E191 IonicContact NZ-OE2 2.85Å; K187-E191 PolarHBondContact O-N 2.94Å; E191-P349 HydrophobicContact CB-CG 4.27Å; E191-P349 WeakPolarHBondContact O-CD 3.39Å
192	K	84	Confident	68.9	Low	89 Å²	89	91.6 Å²	91.6	39%	0.387	47%	0.472	S	S	.	.			trans	-125.9	132.4	176.7	-56.2	-171.4	-174.4	170.3	0	112.1	E188 N189 A190 L347 Q348	E188-K192 WeakPolarHBondContact O-CE 3.22Å; N189-K192 PolarHBondContact OD1-NZ 3.28Å; A190-K192 PolarHBondContact O-N 2.95Å; K192-L347 WeakPolarHBondContact CA-O 3.19Å; K192-Q348 HydrophobicContact CG-CB 4.06Å
193	A	86.5	Confident	66.8	Low	20 Å²	20	90.1 Å²	90.1	17%	0.165	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	113.7	167.3	0	0	0	0	0	109.2	F195 I232 L236 T346 L347	A193-F195 HydrophobicContact CB-CE2 4.15Å; A193-F195 HydrophobicContact CB-CZ 4.18Å; A193-F195 WeakPolarHBondContact O-CD2 3.4Å; A193-F195 VanDerWaalsContact O-CE2 3.25Å; A193-F195 WeakPolarHBondContact O-CE2 3.5Å; A193-I232 HydrophobicContact CB-CD1 4.17Å; A193-I232 HydrophobicContact CB-CG1 4.36Å; A193-I232 HydrophobicContact CB-CG2 4.47Å; A193-L236 HydrophobicContact CB-CD1 3.93Å; A193-T346 CarbonylContact O-C 3.38Å; A193-T346 VanDerWaalsContact O-CA 3.26Å; A193-T346 WeakPolarHBondContact O-CA 3.18Å; A193-L347 HydrophobicContact CB-CB 4.38Å; A193-L347 PolarHBondContact N-O 2.86Å; A193-L347 PolarHBondContact O-N 2.8Å
194	A	86.5	Confident	64.9	Low	37 Å²	37	90.7 Å²	90.7	31%	0.306	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	140.2	179.1	0	0	0	0	0	111.8	F196 V345 T346	A194-F196 HydrophobicContact CB-CD2 4.13Å; A194-F196 HydrophobicContact CB-CE2 3.32Å; A194-F196 HydrophobicContact CB-CZ 3.57Å; A194-V345 WeakPolarHBondContact CA-O 3.45Å; A194-T346 HydrophobicContact CB-CG2 4.15Å
195	F	82.9	Confident	63.5	Low	13 Å²	13	92.4 Å²	92.4	6%	0.057	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	103.2	-177.6	-57.2	-91.2	0	0	0	109.2	A193 I225 S226 L227 I232 V345 L347	A193-F195 HydrophobicContact CB-CE2 4.15Å; A193-F195 HydrophobicContact CB-CZ 4.18Å; A193-F195 WeakPolarHBondContact O-CD2 3.4Å; A193-F195 VanDerWaalsContact O-CE2 3.25Å; A193-F195 WeakPolarHBondContact O-CE2 3.5Å; F195-I225 HydrophobicContact CB-CG2 4.14Å; F195-S226 VanDerWaalsContact CD1-O 3.23Å; F195-S226 WeakPolarHBondContact CD1-O 3.48Å; F195-S226 WeakPolarHBondContact CE1-O 3.42Å; F195-L227 HydrophobicContact CD1-CD2 4.44Å; F195-L227 HydrophobicContact CD2-CD2 4Å; F195-L227 HydrophobicContact CE1-CD2 4.42Å; F195-L227 WeakPolarHBondContact CE1-O 3.29Å; F195-L227 HydrophobicContact CE2-CD2 3.97Å; F195-L227 HydrophobicContact CG-CD2 4.25Å; F195-L227 HydrophobicContact CZ-CB 4.41Å; F195-L227 HydrophobicContact CZ-CD2 4.19Å; F195-L227 WeakPolarHBondContact CZ-O 3.39Å; F195-I232 HydrophobicContact CE1-CD1 4.08Å; F195-I232 HydrophobicContact CZ-CD1 3.8Å; F195-V345 HydrophobicContact CB-CB 4.09Å; F195-V345 HydrophobicContact CB-CG1 4.05Å; F195-V345 HydrophobicContact CD2-CG1 4.03Å; F195-V345 HydrophobicContact CG-CG1 4.39Å; F195-V345 PolarHBondContact N-O 3.06Å; F195-L347 HydrophobicContact CE2-CB 4.03Å; F195-L347 HydrophobicContact CE2-CD1 3.94Å; F195-L347 HydrophobicContact CE2-CG 3.81Å; F195-L347 HydrophobicContact CZ-CD1 3.91Å; F195-L347 HydrophobicContact CZ-CG 4.3Å
196	F	70.1	Confident	62.9	Low	116 Å²	116	90.8 Å²	90.8	51%	0.509	49%	0.492	S	S	.	.			trans	-108.9	142.7	177.4	-54.6	-73.8	0	0	0	110.6	A194 N208	A194-F196 HydrophobicContact CB-CD2 4.13Å; A194-F196 HydrophobicContact CB-CE2 3.32Å; A194-F196 HydrophobicContact CB-CZ 3.57Å; F196-N208 HydrophobicContact CD1-CB 3.98Å; F196-N208 HydrophobicContact CE1-CB 4.45Å
197	R	63.6	Low	62.7	Low	151 Å²	151	90.9 Å²	90.9	57%	0.57	49%	0.492	S	S	*	.			trans	-127	123	162.2	-165.4	176.3	-172.1	179.4	2.9	106.5	S199	R197-S199 PolarHBondContact O-N 2.96Å; R197-S199 VanDerWaalsContact O-N 3.13Å
198	R	48.6	Very low	63.2	Low	239 Å²	239	89.1 Å²	89.1	90%	0.902	49%	0.488	S	S	*	.			trans	-62.6	115.3	170	-81.2	-176.8	175.6	172.7	-1.7	107.6
199	S	49.9	Very low	64	Low	32 Å²	32	88.8 Å²	88.8	22%	0.224	49%	0.487	C	S	.	.			trans	-79.5	138.3	165.2	179.9	0	0	0	0	108.5	R197 T201 A209	R197-S199 PolarHBondContact O-N 2.96Å; R197-S199 VanDerWaalsContact O-N 3.13Å; S199-T201 PolarHBondContact O-N 3.05Å; S199-T201 PolarHBondContact OG-N 2.92Å; S199-T201 VanDerWaalsContact OG-N 3.13Å; S199-T201 PolarHBondContact OG-O 3.25Å; S199-T201 PolarHBondContact OG-OG1 2.98Å; S199-A209 WeakPolarHBondContact CB-O 3.32Å
200	S	46.5	Very low	65	Low	126 Å²	126	85.7 Å²	85.7	88%	0.881	47%	0.469	S	S	*	.	S	Bend	trans	-74.7	-11.2	169.9	46.7	0	0	0	0	112.7
201	T	46	Very low	65.9	Low	91 Å²	91	83.8 Å²	83.8	56%	0.558	45%	0.449	S	S	*	.	S	Bend	trans	-117.6	103.4	178.7	29.4	0	0	0	0	109.3	S199 S203	S199-T201 PolarHBondContact O-N 3.05Å; S199-T201 PolarHBondContact OG-N 2.92Å; S199-T201 VanDerWaalsContact OG-N 3.13Å; S199-T201 PolarHBondContact OG-O 3.25Å; S199-T201 PolarHBondContact OG-OG1 2.98Å; T201-S203 PolarHBondContact O-N 2.95Å; T201-S203 VanDerWaalsContact O-N 3.1Å
202	V	42	Very low	66.2	Low	121 Å²	121	80.9 Å²	80.9	73%	0.733	44%	0.436	S	S	*	.			trans	-71.9	95.4	167.9	-177.7	0	0	0	0	106.5
203	S	47.2	Very low	66.3	Low	53 Å²	53	79.1 Å²	79.1	37%	0.371	43%	0.434	S	S	.	.			trans	-108.2	123.6	168.9	39.8	0	0	0	0	108.3	T201	T201-S203 PolarHBondContact O-N 2.95Å; T201-S203 VanDerWaalsContact O-N 3.1Å
204	D	49.3	Very low	66.1	Low	137 Å²	137	80 Å²	80	73%	0.733	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	64.2	171.7	-66.2	-10.7	0	0	0	118.3	H206	D204-H206 VanDerWaalsContact C-N 3.33Å; D204-H206 PolarHBondContact O-N 3.39Å; D204-H206 VanDerWaalsContact O-N 3.1Å
205	G	52.5	Low	65.3	Low	75 Å²	75	84.2 Å²	84.2	77%	0.773	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-5.4	148.2	0	0	0	0	0	117.9
206	H	56.6	Low	64.1	Low	77 Å²	77	88.7 Å²	88.7	36%	0.356	49%	0.488	S	S	.	.			trans	-109.4	108.3	169.2	-81.6	-73	0	0	0	110.6	D204 N208 A209 W296	D204-H206 VanDerWaalsContact C-N 3.33Å; D204-H206 PolarHBondContact O-N 3.39Å; D204-H206 VanDerWaalsContact O-N 3.1Å; H206-N208 PolarHBondContact O-N 3.38Å; H206-A209 HydrophobicContact CB-CB 4.18Å; H206-A209 PolarHBondContact O-N 3.37Å; H206-A209 VanDerWaalsContact O-N 3.17Å; H206-W296 AromaticContact CD2-CE2 3.94Å; H206-W296 AromaticContact CD2-NE1 3.82Å
207	E	57.7	Low	63.4	Low	170 Å²	170	85.5 Å²	85.5	79%	0.794	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-17.8	-178.8	-68.4	-175.8	163.8	0	0	114.6
208	N	73.2	Confident	63	Low	64 Å²	64	88.4 Å²	88.4	34%	0.342	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	19.3	-174.8	-67.1	-39.8	0	0	0	114.1	F196 H206	F196-N208 HydrophobicContact CD1-CB 3.98Å; F196-N208 HydrophobicContact CE1-CB 4.45Å; H206-N208 PolarHBondContact O-N 3.38Å
209	A	85.2	Confident	63.2	Low	6 Å²	6	82.4 Å²	82.4	5%	0.05	49%	0.494	C	S	.	.			trans	-74.3	134.4	175.4	0	0	0	0	0	111.4	S199 H206 W296 I342 C343	S199-A209 WeakPolarHBondContact CB-O 3.32Å; H206-A209 HydrophobicContact CB-CB 4.18Å; H206-A209 PolarHBondContact O-N 3.37Å; H206-A209 VanDerWaalsContact O-N 3.17Å; A209-W296 HydrophobicContact CB-CH2 4.01Å; A209-W296 HydrophobicContact CB-CZ2 4.22Å; A209-I342 WeakPolarHBondContact CA-O 3.37Å; A209-C343 HydrophobicContact CB-CB 4.26Å
210	W	87.2	Confident	63.4	Low	28 Å²	28	86 Å²	86	11%	0.106	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.9	171.3	174.8	57.9	0	0	0	109.6	F212 P223 I225 F336 C341 I342	W210-F212 HydrophobicContact CE3-CD1 4.3Å; W210-F212 HydrophobicContact CH2-CB 4.33Å; W210-F212 HydrophobicContact CZ2-CB 4.35Å; W210-F212 HydrophobicContact CZ3-CD1 4.17Å; W210-P223 HydrophobicContact CH2-CB 3.32Å; W210-P223 HydrophobicContact CZ2-CB 3.72Å; W210-P223 HydrophobicContact CZ3-CB 4.36Å; W210-I225 HydrophobicContact CD2-CD1 4.43Å; W210-I225 HydrophobicContact CE3-CD1 3.44Å; W210-I225 VanDerWaalsContact CE3-CD1 3.44Å; W210-I225 HydrophobicContact CE3-CG1 3.9Å; W210-I225 HydrophobicContact CH2-CG1 4.34Å; W210-I225 HydrophobicContact CZ3-CD1 3.61Å; W210-I225 HydrophobicContact CZ3-CG1 3.68Å; W210-F336 HydrophobicContact CH2-CD2 4.43Å; W210-F336 AromaticContact CZ3-CD2 3.86Å; W210-F336 HydrophobicContact CZ3-CD2 3.86Å; W210-F336 HydrophobicContact CZ3-CE2 4.01Å; W210-C341 CarbonylContact O-C 3.52Å; W210-C341 WeakPolarHBondContact O-CA 3.47Å; W210-I342 HydrophobicContact CB-CG2 4.37Å; W210-I342 HydrophobicContact CD2-CG2 4.46Å; W210-I342 HydrophobicContact CE3-CG2 3.49Å; W210-I342 VanDerWaalsContact CE3-CG2 3.49Å; W210-I342 HydrophobicContact CZ3-CG2 4.19Å; W210-I342 PolarHBondContact N-O 3.35Å; W210-I342 PolarHBondContact O-N 3Å
211	C	88.4	Confident	64.3	Low	42 Å²	42	84.2 Å²	84.2	28%	0.284	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	145.1	178.3	-57.6	0	0	0	0	111.5	G340 C341	C211-G340 CarbonylContact C-O 3.58Å; C211-G340 WeakPolarHBondContact CA-O 3.49Å; C211-C341 HydrophobicContact CB-CB 4.08Å; C211-C341 WeakPolarHBondContact CB-SG 3.33Å; C211-C341 WeakPolarHBondContact SG-CB 3.38Å; C211-C341 CovalentContact SG-SG 2.05Å; C211-C341 PolarHBondContact SG-SG 3.36Å
212	F	86.9	Confident	65.6	Low	12 Å²	12	87.1 Å²	87.1	5%	0.053	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150.1	-178.9	58.5	-94.2	0	0	0	110.1	W210 P223 L243 V249 F336 Q339 G340 I342	W210-F212 HydrophobicContact CE3-CD1 4.3Å; W210-F212 HydrophobicContact CH2-CB 4.33Å; W210-F212 HydrophobicContact CZ2-CB 4.35Å; W210-F212 HydrophobicContact CZ3-CD1 4.17Å; F212-P223 HydrophobicContact CB-CB 3.79Å; F212-P223 HydrophobicContact CB-CG 3.86Å; F212-P223 HydrophobicContact CG-CB 4.47Å; F212-L243 HydrophobicContact CE1-CD1 4.04Å; F212-L243 HydrophobicContact CZ-CD1 3.9Å; F212-V249 HydrophobicContact CE2-CG1 4.01Å; F212-V249 HydrophobicContact CE2-CG2 4.28Å; F212-V249 HydrophobicContact CZ-CG1 3.95Å; F212-V249 HydrophobicContact CZ-CG2 4.49Å; F212-F336 HydrophobicContact CD1-CB 4.36Å; F212-F336 HydrophobicContact CD1-CG 4.25Å; F212-F336 HydrophobicContact CD2-CB 3.75Å; F212-F336 HydrophobicContact CD2-CG 4.46Å; F212-F336 HydrophobicContact CE1-CB 4.19Å; F212-F336 AromaticContact CE1-CD1 3.84Å; F212-F336 HydrophobicContact CE1-CD1 3.84Å; F212-F336 HydrophobicContact CE1-CD2 4.44Å; F212-F336 HydrophobicContact CE1-CE1 4.41Å; F212-F336 AromaticContact CE1-CG 3.88Å; F212-F336 HydrophobicContact CE1-CG 3.88Å; F212-F336 HydrophobicContact CE2-CB 3.57Å; F212-F336 HydrophobicContact CE2-CD1 4.24Å; F212-F336 HydrophobicContact CE2-CG 4.12Å; F212-F336 HydrophobicContact CG-CB 4.16Å; F212-F336 HydrophobicContact CZ-CB 3.81Å; F212-F336 AromaticContact CZ-CD1 3.61Å; F212-F336 HydrophobicContact CZ-CD1 3.61Å; F212-F336 HydrophobicContact CZ-CE1 4.47Å; F212-F336 AromaticContact CZ-CG 3.81Å; F212-F336 HydrophobicContact CZ-CG 3.81Å; F212-Q339 WeakPolarHBondContact O-CA 3.07Å; F212-G340 WeakPolarHBondContact CD1-O 3.22Å; F212-G340 PolarHBondContact N-O 3.23Å; F212-G340 PolarHBondContact O-N 3.29Å; F212-G340 VanDerWaalsContact O-N 3.08Å; F212-I342 HydrophobicContact CD1-CG2 4.46Å; F212-I342 HydrophobicContact CE1-CB 4.44Å; F212-I342 HydrophobicContact CE1-CG2 4.27Å
213	S	85.8	Confident	67.5	Low	51 Å²	51	82.6 Å²	82.6	36%	0.357	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	127.4	170.6	-177.3	0	0	0	0	108.9	G338 Q339	S213-G338 WeakPolarHBondContact CA-O 3.3Å; S213-Q339 PolarHBondContact OG-OE1 3.15Å
214	T	82.4	Confident	69.4	Low	38 Å²	38	83 Å²	83	23%	0.233	48%	0.481	C	S	.	.			trans	-100.5	-0.1	173.4	61.1	0	0	0	0	113.1	S216 P223 D337 G338	T214-S216 VanDerWaalsContact C-N 3.28Å; T214-S216 PolarHBondContact O-N 2.89Å; T214-P223 HydrophobicContact CG2-CG 3.89Å; T214-D337 PolarHBondContact OG1-OD1 3.47Å; T214-G338 PolarHBondContact N-O 3.33Å; T214-G338 VanDerWaalsContact N-O 3.1Å; T214-G338 PolarHBondContact OG1-N 2.92Å; T214-G338 PolarHBondContact OG1-O 2.95Å
215	L	68.5	Low	71.3	Confident	127 Å²	127	77.7 Å²	77.7	67%	0.665	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-18	-174.6	-69.9	168.2	0	0	0	114.1	Q339	L215-Q339 HydrophobicContact CD1-CB 4.17Å
216	S	59.6	Low	73	Confident	107 Å²	107	77 Å²	77	75%	0.748	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	1.8	-168.1	62.2	0	0	0	0	116.4	T214	T214-S216 VanDerWaalsContact C-N 3.28Å; T214-S216 PolarHBondContact O-N 2.89Å
217	S	54.9	Low	74.6	Confident	48 Å²	48	73.3 Å²	73.3	34%	0.336	42%	0.418	S	S	.	.			trans	-156.5	121.7	179.8	-175	0	0	0	0	115.2	S219 V220	S217-S219 PolarHBondContact O-N 3.48Å; S217-S219 PolarHBondContact OG-N 3Å; S217-S219 PolarHBondContact OG-OG 3.4Å; S217-V220 WeakPolarHBondContact OG-CG2 3.48Å; S217-V220 PolarHBondContact OG-N 2.92Å
218	H	55.6	Low	75.8	Confident	213 Å²	213	67.6 Å²	67.6	99%	0.986	40%	0.398	S	S	*	.	S	Bend	trans	-69.4	-10.6	170.8	-72.2	-69.9	0	0	0	113.8
219	S	51.1	Low	75.9	Confident	112 Å²	112	71.4 Å²	71.4	78%	0.783	41%	0.407	S	S	*	.	S	Bend	trans	-122.8	-0	-170.4	64.4	0	0	0	0	115.7	S217	S217-S219 PolarHBondContact O-N 3.48Å; S217-S219 PolarHBondContact OG-N 3Å; S217-S219 PolarHBondContact OG-OG 3.4Å
220	V	55.1	Low	75.4	Confident	109 Å²	109	79.4 Å²	79.4	66%	0.661	45%	0.449	S	S	*	.	S	Bend	trans	-89.6	131.8	178.2	176.4	0	0	0	0	110.2	S217 R222	S217-V220 WeakPolarHBondContact OG-CG2 3.48Å; S217-V220 PolarHBondContact OG-N 2.92Å; V220-R222 PolarHBondContact O-N 2.94Å
221	A	66.2	Low	75	Confident	88 Å²	88	81.9 Å²	81.9	73%	0.727	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-49.4	136	172	0	0	0	0	0	110.6
222	R	73.2	Confident	74.5	Confident	151 Å²	151	82 Å²	82	57%	0.57	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-52	140.8	-178.8	-71	-173	179.9	-174.9	-1.5	110.6	V220 V224	V220-R222 PolarHBondContact O-N 2.94Å; R222-V224 WeakPolarHBondContact O-CG2 3.38Å; R222-V224 PolarHBondContact O-N 3.49Å; R222-V224 VanDerWaalsContact O-N 3.16Å
223	P	82	Confident	74.3	Confident	26 Å²	26	84.7 Å²	84.7	17%	0.169	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-56.3	121.2	171.6	-20.4	30	0	0	0	109.8	W210 F212 T214 S335 F336	W210-P223 HydrophobicContact CH2-CB 3.32Å; W210-P223 HydrophobicContact CZ2-CB 3.72Å; W210-P223 HydrophobicContact CZ3-CB 4.36Å; F212-P223 HydrophobicContact CB-CB 3.79Å; F212-P223 HydrophobicContact CB-CG 3.86Å; F212-P223 HydrophobicContact CG-CB 4.47Å; T214-P223 HydrophobicContact CG2-CG 3.89Å; P223-S335 VanDerWaalsContact O-CA 3.31Å; P223-S335 WeakPolarHBondContact O-CA 3.25Å; P223-F336 PolarHBondContact O-N 3.44Å; P223-F336 VanDerWaalsContact O-N 3.07Å
224	V	86.6	Confident	74.1	Confident	63 Å²	63	85.5 Å²	85.5	38%	0.382	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.7	-175.9	171.9	0	0	0	0	111	R222 Y333 M334	R222-V224 WeakPolarHBondContact O-CG2 3.38Å; R222-V224 PolarHBondContact O-N 3.49Å; R222-V224 VanDerWaalsContact O-N 3.16Å; V224-Y333 HydrophobicContact CG1-CD2 3.84Å; V224-Y333 HydrophobicContact CG1-CG 4Å; V224-Y333 HydrophobicContact CG2-CD2 4.5Å; V224-M334 CarbonylContact C-O 3.53Å; V224-M334 VanDerWaalsContact CA-O 3.29Å; V224-M334 WeakPolarHBondContact CA-O 3.43Å
225	I	87.8	Confident	74.2	Confident	24 Å²	24	86.3 Å²	86.3	12%	0.123	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.7	164.3	-69.7	171.4	0	0	0	108.5	F195 W210 L227 Y333 M334 F336 I342 V345	F195-I225 HydrophobicContact CB-CG2 4.14Å; W210-I225 HydrophobicContact CD2-CD1 4.43Å; W210-I225 HydrophobicContact CE3-CD1 3.44Å; W210-I225 VanDerWaalsContact CE3-CD1 3.44Å; W210-I225 HydrophobicContact CE3-CG1 3.9Å; W210-I225 HydrophobicContact CH2-CG1 4.34Å; W210-I225 HydrophobicContact CZ3-CD1 3.61Å; W210-I225 HydrophobicContact CZ3-CG1 3.68Å; I225-L227 HydrophobicContact CG2-CD2 4.18Å; I225-L227 PolarHBondContact O-N 3.45Å; I225-Y333 CarbonylContact O-C 3.58Å; I225-Y333 WeakPolarHBondContact O-CA 3.41Å; I225-Y333 VanDerWaalsContact O-CB 3.29Å; I225-Y333 WeakPolarHBondContact O-CB 3.43Å; I225-M334 HydrophobicContact CB-CE 3.6Å; I225-M334 HydrophobicContact CB-CG 3.8Å; I225-M334 HydrophobicContact CD1-CE 3.2Å; I225-M334 HydrophobicContact CG1-CE 3.88Å; I225-M334 HydrophobicContact CG2-CE 3.84Å; I225-M334 HydrophobicContact CG2-CG 4.41Å; I225-M334 PolarHBondContact N-O 2.85Å; I225-M334 PolarHBondContact O-N 3.44Å; I225-F336 HydrophobicContact CD1-CE2 4.4Å; I225-I342 HydrophobicContact CD1-CG2 4.05Å; I225-V345 HydrophobicContact CD1-CG2 4.36Å
226	S	89.4	Confident	75.3	Confident	60 Å²	60	80.5 Å²	80.5	42%	0.42	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	122.2	172.6	-172.4	0	0	0	0	110.1	F195 S228	F195-S226 VanDerWaalsContact CD1-O 3.23Å; F195-S226 WeakPolarHBondContact CD1-O 3.48Å; F195-S226 WeakPolarHBondContact CE1-O 3.42Å; S226-S228 PolarHBondContact OG-O 2.9Å
227	L	90.1	Very high	76.8	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	44%	0.439	C	S	.	.			trans	-97.5	-24.2	179.3	-63.2	176.9	0	0	0	111.8	F195 I225 I232 L239 I253 P331 L332 M334 V345 L347	F195-L227 HydrophobicContact CD1-CD2 4.44Å; F195-L227 HydrophobicContact CD2-CD2 4Å; F195-L227 HydrophobicContact CE1-CD2 4.42Å; F195-L227 WeakPolarHBondContact CE1-O 3.29Å; F195-L227 HydrophobicContact CE2-CD2 3.97Å; F195-L227 HydrophobicContact CG-CD2 4.25Å; F195-L227 HydrophobicContact CZ-CB 4.41Å; F195-L227 HydrophobicContact CZ-CD2 4.19Å; F195-L227 WeakPolarHBondContact CZ-O 3.39Å; I225-L227 HydrophobicContact CG2-CD2 4.18Å; I225-L227 PolarHBondContact O-N 3.45Å; L227-I232 VanDerWaalsContact O-CD1 3.28Å; L227-I232 WeakPolarHBondContact O-CD1 3.35Å; L227-L239 HydrophobicContact CD1-CD1 4.19Å; L227-L239 HydrophobicContact CD1-CD2 4.38Å; L227-L239 HydrophobicContact CD2-CD1 3.98Å; L227-I253 HydrophobicContact CD1-CG2 4.43Å; L227-P331 HydrophobicContact CB-CB 4.26Å; L227-P331 HydrophobicContact CD1-CB 4.18Å; L227-L332 WeakPolarHBondContact CA-O 3.36Å; L227-L332 PolarHBondContact N-O 2.78Å; L227-M334 HydrophobicContact CD1-CB 4.25Å; L227-M334 HydrophobicContact CD1-CG 4.37Å; L227-M334 HydrophobicContact CD2-SD 4.39Å; L227-M334 HydrophobicContact CG-CG 4.46Å; L227-V345 HydrophobicContact CD2-CG1 4.23Å; L227-L347 HydrophobicContact CB-CD1 4.1Å
228	S	82.5	Confident	78.7	Confident	51 Å²	51	73.3 Å²	73.3	36%	0.357	42%	0.424	S	S	.	.			trans	-87.2	127.6	174.9	60.7	0	0	0	0	111.6	S226 L332	S226-S228 PolarHBondContact OG-O 2.9Å; S228-L332 PolarHBondContact N-O 3.14Å; S228-L332 PolarHBondContact OG-O 3.18Å
229	R	76.5	Confident	80.6	Confident	143 Å²	143	63.2 Å²	63.2	54%	0.54	38%	0.377	S	S	.	.			trans	-140.1	154.1	169.6	-59.2	-178.7	-177.8	-179.5	-0.6	109.7	G231 I232	R229-G231 PolarHBondContact O-N 2.88Å; R229-I232 HydrophobicContact CB-CD1 3.75Å; R229-I232 HydrophobicContact CB-CG1 4.06Å; R229-I232 HydrophobicContact CG-CD1 4.1Å; R229-I232 PolarHBondContact O-N 3.38Å
230	N	74.3	Confident	82.6	Confident	174 Å²	174	61 Å²	61	93%	0.93	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	131.7	171.7	-70.9	-8.1	0	0	0	109.7
231	G	77.3	Confident	84.5	Confident	80 Å²	80	55.8 Å²	55.8	83%	0.825	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	-3.7	179.1	0	0	0	0	0	115.8	R229 P233	R229-G231 PolarHBondContact O-N 2.88Å; G231-P233 WeakPolarHBondContact O-CD 3.34Å
232	I	78.9	Confident	85.7	Confident	45 Å²	45	52.3 Å²	52.3	23%	0.231	29%	0.291	C	S	.	.			trans	-73.8	123.2	170.7	-63.4	-178	0	0	0	108.9	A193 F195 L227 R229 L236	A193-I232 HydrophobicContact CB-CD1 4.17Å; A193-I232 HydrophobicContact CB-CG1 4.36Å; A193-I232 HydrophobicContact CB-CG2 4.47Å; F195-I232 HydrophobicContact CE1-CD1 4.08Å; F195-I232 HydrophobicContact CZ-CD1 3.8Å; L227-I232 VanDerWaalsContact O-CD1 3.28Å; L227-I232 WeakPolarHBondContact O-CD1 3.35Å; R229-I232 HydrophobicContact CB-CD1 3.75Å; R229-I232 HydrophobicContact CB-CG1 4.06Å; R229-I232 HydrophobicContact CG-CD1 4.1Å; R229-I232 PolarHBondContact O-N 3.38Å; I232-L236 HydrophobicContact CG2-CD1 3.94Å; I232-L236 HydrophobicContact CG2-CG 4.4Å
233	P	81.7	Confident	86.7	Confident	68 Å²	68	45.1 Å²	45.1	44%	0.442	26%	0.264	S	S	.	.			trans	-58.3	146.5	175.9	-26.3	36.8	0	0	0	113.1	G231 D235 L236	G231-P233 WeakPolarHBondContact O-CD 3.34Å; P233-D235 VanDerWaalsContact C-N 3.25Å; P233-D235 WeakPolarHBondContact CB-OD1 3.35Å; P233-D235 PolarHBondContact O-N 3.02Å; P233-L236 HydrophobicContact CB-CG 4.24Å; P233-L236 PolarHBondContact O-N 3.38Å
234	T	82.9	Confident	87.2	Confident	69 Å²	69	45.3 Å²	45.3	42%	0.423	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-6.9	-177.3	53.9	0	0	0	0	114.1	I330	T234-I330 HydrophobicContact CG2-CD1 4.14Å; T234-I330 HydrophobicContact CG2-CG1 4.37Å
235	D	84.2	Confident	87.4	Confident	55 Å²	55	42.4 Å²	42.4	29%	0.294	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-4.9	175.8	61.1	-23.6	0	0	0	113.4	P233 V237 P349	P233-D235 VanDerWaalsContact C-N 3.25Å; P233-D235 WeakPolarHBondContact CB-OD1 3.35Å; P233-D235 PolarHBondContact O-N 3.02Å; D235-V237 PolarHBondContact O-N 2.92Å; D235-P349 WeakPolarHBondContact O-CA 3.43Å
236	L	90.8	Very high	87.3	Confident	5 Å²	5	44 Å²	44	3%	0.026	26%	0.255	C	S	.	.			trans	-79.4	84.8	175.7	-52.2	-162.2	0	0	0	111.7	A193 I232 P233 L347 P349	A193-L236 HydrophobicContact CB-CD1 3.93Å; I232-L236 HydrophobicContact CG2-CD1 3.94Å; I232-L236 HydrophobicContact CG2-CG 4.4Å; P233-L236 HydrophobicContact CB-CG 4.24Å; P233-L236 PolarHBondContact O-N 3.38Å; L236-L347 HydrophobicContact CB-CB 4.12Å; L236-L347 HydrophobicContact CD1-CB 4.43Å; L236-P349 VanDerWaalsContact CD2-CD 3.49Å; L236-P349 HydrophobicContact CD2-CG 3.6Å
237	V	92.5	Very high	87.1	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.006	25%	0.247	C	C	.	.			trans	-107	-11.2	-175.2	-61.3	0	0	0	0	114.7	D235 L303 H304 A326 I329 Q348	D235-V237 PolarHBondContact O-N 2.92Å; V237-L303 WeakPolarHBondContact O-CB 3.4Å; V237-L303 WeakPolarHBondContact O-CG 3.33Å; V237-L303 PolarHBondContact O-N 3.5Å; V237-H304 HydrophobicContact CB-CB 4.19Å; V237-H304 HydrophobicContact CG1-CB 4.46Å; V237-H304 HydrophobicContact CG2-CB 4.18Å; V237-A326 HydrophobicContact CG1-CB 4.26Å; V237-A326 WeakPolarHBondContact CG1-O 3.37Å; V237-A326 HydrophobicContact CG2-CB 4.15Å; V237-I329 HydrophobicContact CB-CD1 4.09Å; V237-I329 HydrophobicContact CG1-CD1 3.79Å; V237-I329 HydrophobicContact CG1-CG1 3.69Å; V237-Q348 PolarHBondContact N-O 3.31Å
238	T	94.3	Very high	86.8	Confident	3 Å²	3	46 Å²	46	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	114.5	-179.1	-58.5	0	0	0	0	110.4	T300 R301 L347 Q348 P349 H350 A351	T238-T300 HydrophobicContact CG2-CG2 3.93Å; T238-R301 CarbonylContact C-O 3.56Å; T238-R301 WeakPolarHBondContact CA-O 3.28Å; T238-L347 WeakPolarHBondContact O-CA 3.36Å; T238-Q348 WeakPolarHBondContact CA-O 3.36Å; T238-Q348 VanDerWaalsContact CB-O 3.3Å; T238-Q348 WeakPolarHBondContact CB-O 3.44Å; T238-Q348 HydrophobicContact CG2-CG 4.38Å; T238-Q348 PolarHBondContact N-O 2.84Å; T238-Q348 PolarHBondContact O-N 3.13Å; T238-P349 PolarHBondContact OG1-O 2.69Å; T238-H350 WeakPolarHBondContact OG1-CA 3.45Å; T238-A351 HydrophobicContact CG2-CB 3.68Å
239	L	94.9	Very high	87.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.6	175.4	-176	71.2	0	0	0	110.6	L227 F241 I253 T300 R301 L303 M334 V345 L347	L227-L239 HydrophobicContact CD1-CD1 4.19Å; L227-L239 HydrophobicContact CD1-CD2 4.38Å; L227-L239 HydrophobicContact CD2-CD1 3.98Å; L239-F241 HydrophobicContact CD2-CD1 3.95Å; L239-F241 HydrophobicContact CD2-CE1 3.9Å; L239-F241 HydrophobicContact CG-CD1 3.99Å; L239-F241 HydrophobicContact CG-CE1 4.32Å; L239-I253 HydrophobicContact CD2-CD1 3.44Å; L239-I253 VanDerWaalsContact CD2-CD1 3.44Å; L239-I253 HydrophobicContact CD2-CG1 4.29Å; L239-T300 CarbonylContact O-C 3.58Å; L239-T300 WeakPolarHBondContact O-CA 3.41Å; L239-R301 PolarHBondContact N-O 2.9Å; L239-R301 PolarHBondContact O-N 3.41Å; L239-L303 HydrophobicContact CB-CD1 4.11Å; L239-L303 HydrophobicContact CB-CG 4.32Å; L239-M334 HydrophobicContact CD2-SD 4.08Å; L239-V345 HydrophobicContact CD1-CG1 4.1Å; L239-L347 HydrophobicContact CB-CD2 3.95Å; L239-L347 HydrophobicContact CD1-CD2 3.74Å; L239-L347 HydrophobicContact CD1-CG 4.14Å; L239-L347 HydrophobicContact CG-CD2 4.46Å
240	R	93.8	Very high	87.8	Confident	65 Å²	65	38.7 Å²	38.7	25%	0.245	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.9	174.8	176.7	-174.9	-172.1	-80.9	1.9	110.3	F299 V345 T346 D354	R240-F299 CarbonylContact C-O 3.57Å; R240-F299 VanDerWaalsContact CA-O 3.25Å; R240-F299 WeakPolarHBondContact CA-O 3.32Å; R240-V345 CarbonylContact O-C 3.56Å; R240-V345 WeakPolarHBondContact O-CA 3.31Å; R240-T346 PolarHBondContact N-O 3.26Å; R240-T346 PolarHBondContact O-N 2.96Å; R240-D354 WeakPolarHBondContact CD-OD2 3.32Å; R240-D354 IonicContact CZ-OD2 2.7Å; R240-D354 IonicContact NE-OD1 2.7Å; R240-D354 IonicContact NE-OD2 3.69Å; R240-D354 PolarHBondContact NE-OD2 3.45Å
241	F	93.8	Very high	88.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	168.5	175.9	60.1	-84.2	0	0	0	111.1	L239 L243 F251 R298 F299 I342 N344 V345	L239-F241 HydrophobicContact CD2-CD1 3.95Å; L239-F241 HydrophobicContact CD2-CE1 3.9Å; L239-F241 HydrophobicContact CG-CD1 3.99Å; L239-F241 HydrophobicContact CG-CE1 4.32Å; F241-L243 HydrophobicContact CD2-CB 4.18Å; F241-L243 HydrophobicContact CE2-CB 4.05Å; F241-F251 HydrophobicContact CE1-CE2 4.36Å; F241-F251 HydrophobicContact CE2-CZ 4.42Å; F241-F251 HydrophobicContact CZ-CD2 4.38Å; F241-F251 HydrophobicContact CZ-CE1 4.13Å; F241-F251 AromaticContact CZ-CE2 3.75Å; F241-F251 HydrophobicContact CZ-CE2 3.75Å; F241-F251 AromaticContact CZ-CZ 3.61Å; F241-F251 HydrophobicContact CZ-CZ 3.61Å; F241-R298 CarbonylContact O-C 3.24Å; F241-R298 WeakPolarHBondContact O-CA 3.37Å; F241-F299 HydrophobicContact CD1-CB 4.21Å; F241-F299 HydrophobicContact CD2-CB 4.28Å; F241-F299 HydrophobicContact CD2-CD2 4.17Å; F241-F299 HydrophobicContact CE1-CB 3.78Å; F241-F299 HydrophobicContact CE2-CB 3.85Å; F241-F299 AromaticContact CE2-CD2 3.62Å; F241-F299 HydrophobicContact CE2-CD2 3.62Å; F241-F299 AromaticContact CE2-CG 3.98Å; F241-F299 HydrophobicContact CE2-CG 3.98Å; F241-F299 HydrophobicContact CG-CB 4.45Å; F241-F299 HydrophobicContact CZ-CB 3.58Å; F241-F299 HydrophobicContact CZ-CD2 4.09Å; F241-F299 AromaticContact CZ-CG 3.97Å; F241-F299 HydrophobicContact CZ-CG 3.97Å; F241-F299 PolarHBondContact N-O 2.75Å; F241-F299 PolarHBondContact O-N 2.95Å; F241-I342 HydrophobicContact CB-CD1 3.93Å; F241-I342 HydrophobicContact CB-CG1 4.14Å; F241-I342 HydrophobicContact CD2-CD1 3.44Å; F241-I342 VanDerWaalsContact CD2-CD1 3.44Å; F241-I342 HydrophobicContact CD2-CG1 3.94Å; F241-I342 HydrophobicContact CE2-CD1 4.11Å; F241-I342 HydrophobicContact CG-CD1 3.81Å; F241-I342 HydrophobicContact CG-CG1 4.39Å; F241-N344 WeakPolarHBondContact CA-O 3.47Å; F241-V345 HydrophobicContact CB-CB 4.38Å; F241-V345 HydrophobicContact CB-CG2 3.94Å
242	S	93.2	Very high	89.5	Confident	16 Å²	16	27.1 Å²	27.1	11%	0.112	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.9	170.1	-58.4	0	0	0	0	109.7	W296 Q297 I342 C343	S242-W296 WeakPolarHBondContact O-CZ3 3.36Å; S242-Q297 CarbonylContact C-O 3.35Å; S242-Q297 VanDerWaalsContact CA-O 3.29Å; S242-Q297 WeakPolarHBondContact CA-O 3.27Å; S242-I342 CarbonylContact O-C 3.16Å; S242-I342 VanDerWaalsContact O-CA 3.29Å; S242-I342 WeakPolarHBondContact O-CA 3.49Å; S242-I342 WeakPolarHBondContact O-CG1 3.26Å; S242-C343 PolarHBondContact N-O 3.48Å; S242-C343 PolarHBondContact O-N 3.01Å
243	L	92.6	Very high	90.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132.7	-176.2	178.7	75.6	0	0	0	110	F212 F241 T245 V249 L291 Q297 F299 F336 C341 I342	F212-L243 HydrophobicContact CE1-CD1 4.04Å; F212-L243 HydrophobicContact CZ-CD1 3.9Å; F241-L243 HydrophobicContact CD2-CB 4.18Å; F241-L243 HydrophobicContact CE2-CB 4.05Å; L243-T245 HydrophobicContact CD1-CG2 4.28Å; L243-T245 HydrophobicContact CD2-CG2 3.6Å; L243-T245 HydrophobicContact CG-CG2 3.64Å; L243-V249 HydrophobicContact CD2-CG1 4.38Å; L243-L291 HydrophobicContact CD2-CD1 4.32Å; L243-Q297 PolarHBondContact N-O 2.93Å; L243-Q297 PolarHBondContact O-N 3.18Å; L243-F299 HydrophobicContact CB-CD2 4Å; L243-F299 HydrophobicContact CB-CE2 3.81Å; L243-F299 HydrophobicContact CD2-CE2 4.12Å; L243-F336 HydrophobicContact CD1-CE1 4.41Å; L243-C341 CarbonylContact C-O 3.52Å; L243-C341 WeakPolarHBondContact CA-O 3.48Å; L243-I342 HydrophobicContact CD1-CB 4.25Å
244	L	92.9	Very high	91	Very high	30 Å²	30	23.1 Å²	23.1	16%	0.157	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.7	171.5	-177.5	70.2	0	0	0	107.8	V295 W296 G340 C341	L244-V295 VanDerWaalsContact CD1-C 3.5Å; L244-W296 HydrophobicContact CB-CD2 3.7Å; L244-W296 HydrophobicContact CB-CE3 3.67Å; L244-W296 HydrophobicContact CB-CG 4.37Å; L244-W296 HydrophobicContact CB-CH2 3.87Å; L244-W296 HydrophobicContact CB-CZ2 3.89Å; L244-W296 HydrophobicContact CB-CZ3 3.75Å; L244-W296 HydrophobicContact CD1-CD2 4.42Å; L244-W296 HydrophobicContact CD1-CG 4.28Å; L244-W296 HydrophobicContact CD2-CZ2 3.95Å; L244-W296 HydrophobicContact CG-CD2 4.46Å; L244-G340 CarbonylContact O-C 3.5Å; L244-G340 WeakPolarHBondContact O-CA 3.48Å; L244-C341 HydrophobicContact CB-CB 4.36Å; L244-C341 PolarHBondContact N-O 3.39Å; L244-C341 PolarHBondContact O-N 3.18Å
245	T	90.3	Very high	91.6	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.012	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.6	-177.8	62.6	0	0	0	0	110.3	L243 S247 V249 L291 R293 N294	L243-T245 HydrophobicContact CD1-CG2 4.28Å; L243-T245 HydrophobicContact CD2-CG2 3.6Å; L243-T245 HydrophobicContact CG-CG2 3.64Å; T245-S247 WeakPolarHBondContact CB-O 3.46Å; T245-V249 HydrophobicContact CG2-CB 3.8Å; T245-V249 HydrophobicContact CG2-CG2 3.6Å; T245-L291 HydrophobicContact CG2-CD1 3.98Å; T245-R293 CarbonylContact O-C 3.5Å; T245-R293 WeakPolarHBondContact O-CA 3.18Å; T245-N294 PolarHBondContact O-N 2.8Å
246	D	86.7	Confident	92.1	Very high	58 Å²	58	22.4 Å²	22.4	31%	0.31	11%	0.11	S	C	.	.	S	Bend	trans	-95.7	-32	170.3	55.6	2.2	0	0	0	111.7	Q339	D246-Q339 VanDerWaalsContact OD1-CB 3.29Å; D246-Q339 WeakPolarHBondContact OD1-CB 3.29Å; D246-Q339 WeakPolarHBondContact OD1-CG 3.48Å; D246-Q339 VanDerWaalsContact OD2-CG 3.27Å; D246-Q339 WeakPolarHBondContact OD2-CG 3.4Å; D246-Q339 PolarHBondContact OD2-NE2 3.29Å
247	S	84.4	Confident	92.2	Very high	36 Å²	36	24.5 Å²	24.5	25%	0.252	12%	0.118	S	C	.	.	S	Bend	trans	-115.2	-177.6	174.9	76.8	0	0	0	0	112.2	T245 V249 Q339	T245-S247 WeakPolarHBondContact CB-O 3.46Å; S247-V249 PolarHBondContact O-N 3.15Å; S247-Q339 PolarHBondContact OG-N 3.06Å
248	N	84.6	Confident	92.1	Very high	66 Å²	66	28.2 Å²	28.2	35%	0.353	14%	0.137	S	C	.	.			trans	-67.6	123	168	-60	-42.7	0	0	0	108.7	M271	N248-M271 HydrophobicContact CB-CG 4.19Å; N248-M271 HydrophobicContact CB-SD 4.09Å; N248-M271 PolarHBondContact ND2-SD 3.16Å
249	V	89.1	Confident	91.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.			trans	-114	135.3	176.5	172.4	0	0	0	0	108.9	F212 L243 T245 S247 F336 D337 Q339	F212-V249 HydrophobicContact CE2-CG1 4.01Å; F212-V249 HydrophobicContact CE2-CG2 4.28Å; F212-V249 HydrophobicContact CZ-CG1 3.95Å; F212-V249 HydrophobicContact CZ-CG2 4.49Å; L243-V249 HydrophobicContact CD2-CG1 4.38Å; T245-V249 HydrophobicContact CG2-CB 3.8Å; T245-V249 HydrophobicContact CG2-CG2 3.6Å; S247-V249 PolarHBondContact O-N 3.15Å; V249-F336 HydrophobicContact CG1-CD1 4.43Å; V249-D337 CarbonylContact C-O 3.5Å; V249-D337 WeakPolarHBondContact CA-O 3.27Å; V249-Q339 WeakPolarHBondContact CG2-O 3.47Å
250	N	91.3	Very high	91.6	Very high	39 Å²	39	35.7 Å²	35.7	21%	0.209	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	148.1	167.1	-54.6	-39.1	0	0	0	108.5	Y268 N269 G270 D337	N250-Y268 CarbonylContact C-O 3.45Å; N250-Y268 VanDerWaalsContact CA-O 3.25Å; N250-Y268 WeakPolarHBondContact CA-O 2.79Å; N250-N269 VanDerWaalsContact OD1-CA 3.3Å; N250-N269 WeakPolarHBondContact OD1-CA 3.12Å; N250-N269 PolarHBondContact OD1-OD1 3.29Å; N250-G270 PolarHBondContact OD1-N 3.38Å; N250-D337 HydrophobicContact CB-CB 4.4Å; N250-D337 PolarHBondContact N-O 2.78Å; N250-D337 PolarHBondContact O-N 2.87Å
251	F	92.8	Very high	91.4	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	149.5	170.9	62	-91.3	0	0	0	111	M149 F241 I253 Y268 L288 S335 F336	M149-F251 HydrophobicContact CE-CE1 3.44Å; M149-F251 VanDerWaalsContact CE-CE1 3.44Å; M149-F251 HydrophobicContact CE-CZ 3.25Å; M149-F251 HydrophobicContact SD-CZ 4.01Å; F241-F251 HydrophobicContact CE1-CE2 4.36Å; F241-F251 HydrophobicContact CE2-CZ 4.42Å; F241-F251 HydrophobicContact CZ-CD2 4.38Å; F241-F251 HydrophobicContact CZ-CE1 4.13Å; F241-F251 AromaticContact CZ-CE2 3.75Å; F241-F251 HydrophobicContact CZ-CE2 3.75Å; F241-F251 AromaticContact CZ-CZ 3.61Å; F241-F251 HydrophobicContact CZ-CZ 3.61Å; F251-I253 HydrophobicContact CD2-CD1 4.48Å; F251-I253 HydrophobicContact CD2-CG1 4.25Å; F251-I253 HydrophobicContact CE2-CD1 4.22Å; F251-I253 HydrophobicContact CE2-CG1 4.46Å; F251-Y268 AromaticContact CD2-CD2 3.51Å; F251-Y268 HydrophobicContact CD2-CD2 3.51Å; F251-Y268 HydrophobicContact CD2-CE2 4.33Å; F251-Y268 AromaticContact CD2-CG 3.91Å; F251-Y268 HydrophobicContact CD2-CG 3.91Å; F251-Y268 HydrophobicContact CE1-CG 4.32Å; F251-Y268 VanDerWaalsContact CE2-CB 3.47Å; F251-Y268 HydrophobicContact CE2-CD1 4.12Å; F251-Y268 AromaticContact CE2-CD2 3.12Å; F251-Y268 HydrophobicContact CE2-CD2 3.12Å; F251-Y268 AromaticContact CE2-CE2 3.76Å; F251-Y268 HydrophobicContact CE2-CE2 3.76Å; F251-Y268 AromaticContact CE2-CG 3.29Å; F251-Y268 HydrophobicContact CE2-CG 3.29Å; F251-Y268 VanDerWaalsContact CZ-CB 3.41Å; F251-Y268 HydrophobicContact CZ-CD1 4.08Å; F251-Y268 AromaticContact CZ-CD2 3.88Å; F251-Y268 HydrophobicContact CZ-CD2 3.88Å; F251-Y268 AromaticContact CZ-CG 3.52Å; F251-Y268 HydrophobicContact CZ-CG 3.52Å; F251-Y268 PolarHBondContact N-O 2.69Å; F251-Y268 WeakPolarHBondContact O-CB 3.43Å; F251-Y268 PolarHBondContact O-N 2.92Å; F251-L288 HydrophobicContact CE1-CD1 4.02Å; F251-S335 CarbonylContact C-O 3.55Å; F251-S335 WeakPolarHBondContact CA-O 3.4Å; F251-S335 VanDerWaalsContact CB-O 3.28Å; F251-S335 WeakPolarHBondContact CB-O 3.18Å; F251-F336 HydrophobicContact CB-CD1 3.58Å; F251-F336 HydrophobicContact CB-CE1 3.71Å; F251-F336 HydrophobicContact CB-CG 4.34Å; F251-F336 HydrophobicContact CG-CD1 4.45Å; F251-F336 HydrophobicContact CG-CE1 4.19Å
252	T	94.9	Very high	91.3	Very high	10 Å²	10	40.4 Å²	40.4	6%	0.061	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.3	-179	-54.6	0	0	0	0	109.2	F254 R265 I266 H267 M334 S335	T252-F254 HydrophobicContact CG2-CD2 4.14Å; T252-F254 HydrophobicContact CG2-CE2 3.6Å; T252-F254 HydrophobicContact CG2-CZ 3.94Å; T252-R265 HydrophobicContact CG2-CB 4.23Å; T252-I266 CarbonylContact C-O 3.48Å; T252-I266 VanDerWaalsContact CA-O 3.28Å; T252-I266 WeakPolarHBondContact CA-O 3.29Å; T252-H267 WeakPolarHBondContact CG2-ND1 3.35Å; T252-H267 PolarHBondContact OG1-ND1 2.69Å; T252-H267 VanDerWaalsContact OG1-ND1 3.09Å; T252-M334 CarbonylContact O-C 3.49Å; T252-M334 WeakPolarHBondContact O-CA 3.33Å; T252-S335 PolarHBondContact N-O 2.84Å; T252-S335 PolarHBondContact O-N 3.39Å
253	I	95.8	Very high	91.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.3	175.4	-53.9	176.3	0	0	0	108.6	L227 L239 F251 V255 I266 Y268 L303 M334	L227-I253 HydrophobicContact CD1-CG2 4.43Å; L239-I253 HydrophobicContact CD2-CD1 3.44Å; L239-I253 VanDerWaalsContact CD2-CD1 3.44Å; L239-I253 HydrophobicContact CD2-CG1 4.29Å; F251-I253 HydrophobicContact CD2-CD1 4.48Å; F251-I253 HydrophobicContact CD2-CG1 4.25Å; F251-I253 HydrophobicContact CE2-CD1 4.22Å; F251-I253 HydrophobicContact CE2-CG1 4.46Å; I253-V255 HydrophobicContact CG2-CG2 4.09Å; I253-I266 HydrophobicContact CB-CB 4.46Å; I253-I266 PolarHBondContact N-O 3.35Å; I253-I266 PolarHBondContact O-N 2.96Å; I253-Y268 HydrophobicContact CB-CE2 4.38Å; I253-Y268 HydrophobicContact CD1-CD2 4.28Å; I253-Y268 HydrophobicContact CD1-CE2 3.54Å; I253-Y268 HydrophobicContact CG1-CD2 4.29Å; I253-Y268 HydrophobicContact CG1-CE2 3.85Å; I253-L303 HydrophobicContact CB-CD2 4.36Å; I253-L303 HydrophobicContact CD1-CD2 3.63Å; I253-L303 HydrophobicContact CG2-CD1 3.88Å; I253-L303 HydrophobicContact CG2-CD2 3.9Å; I253-M334 HydrophobicContact CG1-CB 4.25Å
254	F	96.1	Very high	91.6	Very high	29 Å²	29	42.9 Å²	42.9	13%	0.127	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.9	179.9	-65.9	-108.1	0	0	0	108.8	T252 V263 Y264 R265 L332 Y333	T252-F254 HydrophobicContact CG2-CD2 4.14Å; T252-F254 HydrophobicContact CG2-CE2 3.6Å; T252-F254 HydrophobicContact CG2-CZ 3.94Å; F254-V263 HydrophobicContact CB-CG1 4.41Å; F254-V263 HydrophobicContact CD1-CG1 4.28Å; F254-Y264 WeakPolarHBondContact CA-O 3.47Å; F254-R265 HydrophobicContact CD1-CG 3.75Å; F254-R265 HydrophobicContact CE1-CG 3.63Å; F254-R265 HydrophobicContact CZ-CG 4.4Å; F254-L332 HydrophobicContact CB-CB 4.26Å; F254-L332 WeakPolarHBondContact O-CB 3.5Å; F254-L332 PolarHBondContact O-N 3.38Å; F254-Y333 HydrophobicContact CB-CD1 4.42Å; F254-Y333 HydrophobicContact CB-CD2 4.26Å; F254-Y333 HydrophobicContact CB-CE1 4.2Å; F254-Y333 HydrophobicContact CB-CE2 4.06Å; F254-Y333 HydrophobicContact CB-CG 4.43Å; F254-Y333 AromaticContact CD1-CE2 3.8Å; F254-Y333 HydrophobicContact CD1-CE2 3.8Å; F254-Y333 AromaticContact CD1-CZ 3.67Å; F254-Y333 WeakPolarHBondContact CD1-OH 3.38Å; F254-Y333 AromaticContact CD2-CD2 3.49Å; F254-Y333 HydrophobicContact CD2-CD2 3.49Å; F254-Y333 VanDerWaalsContact CD2-CD2 3.49Å; F254-Y333 AromaticContact CD2-CE2 3.17Å; F254-Y333 HydrophobicContact CD2-CE2 3.17Å; F254-Y333 HydrophobicContact CD2-CG 4.41Å; F254-Y333 AromaticContact CD2-CZ 3.89Å; F254-Y333 AromaticContact CE1-CE2 3.98Å; F254-Y333 HydrophobicContact CE1-CE2 3.98Å; F254-Y333 AromaticContact CE2-CD2 3.99Å; F254-Y333 HydrophobicContact CE2-CD2 3.99Å; F254-Y333 AromaticContact CE2-CE2 3.42Å; F254-Y333 HydrophobicContact CE2-CE2 3.42Å; F254-Y333 VanDerWaalsContact CE2-CE2 3.42Å; F254-Y333 AromaticContact CG-CD2 3.93Å; F254-Y333 HydrophobicContact CG-CD2 3.93Å; F254-Y333 HydrophobicContact CG-CE1 4.27Å; F254-Y333 AromaticContact CG-CE2 3.39Å; F254-Y333 HydrophobicContact CG-CE2 3.39Å; F254-Y333 AromaticContact CG-CZ 3.58Å; F254-Y333 AromaticContact CZ-CE2 3.82Å; F254-Y333 HydrophobicContact CZ-CE2 3.82Å; F254-Y333 PolarHBondContact N-O 3.41Å
255	V	95.5	Very high	91.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.3	-176	-178.3	0	0	0	0	109.1	I253 V263 Y264 I266 L303 V307 I329 I330	I253-V255 HydrophobicContact CG2-CG2 4.09Å; V255-V263 CarbonylContact O-C 3.59Å; V255-V263 WeakPolarHBondContact O-CA 3.44Å; V255-Y264 PolarHBondContact N-O 2.81Å; V255-Y264 PolarHBondContact O-N 3.45Å; V255-I266 HydrophobicContact CG2-CD1 3.81Å; V255-L303 HydrophobicContact CG2-CB 4.21Å; V255-L303 HydrophobicContact CG2-CD1 4.24Å; V255-V307 HydrophobicContact CB-CG2 4.24Å; V255-V307 HydrophobicContact CG1-CG2 4.12Å; V255-I329 HydrophobicContact CG1-CB 3.75Å; V255-I329 HydrophobicContact CG1-CD1 3.82Å; V255-I329 HydrophobicContact CG1-CG1 4.39Å; V255-I329 HydrophobicContact CG1-CG2 4.26Å; V255-I330 CarbonylContact C-O 3.48Å; V255-I330 WeakPolarHBondContact CA-O 3.42Å
256	R	94.6	Very high	92	Very high	108 Å²	108	46.1 Å²	46.1	41%	0.408	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.3	174.8	-174.4	176.8	-66.6	151.1	0.8	110.3	L262 V263 I329 I330 L332	R256-L262 WeakPolarHBondContact CA-O 3.46Å; R256-V263 HydrophobicContact CB-CG2 4.43Å; R256-V263 HydrophobicContact CG-CG2 4.4Å; R256-I329 CarbonylContact O-C 3.51Å; R256-I329 VanDerWaalsContact O-CA 3.3Å; R256-I329 WeakPolarHBondContact O-CA 3.36Å; R256-I330 PolarHBondContact N-O 2.89Å; R256-I330 PolarHBondContact O-N 3.48Å; R256-L332 HydrophobicContact CB-CD1 4.05Å; R256-L332 HydrophobicContact CB-CD2 4.09Å; R256-L332 HydrophobicContact CB-CG 4.1Å
257	R	91.8	Very high	92.4	Very high	50 Å²	50	45.3 Å²	45.3	19%	0.189	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.2	168.9	-161.1	-175.2	153.4	-176.1	-4.9	109.3	D259 T260 S261 L262 Y264 L324 S328 I329	R257-D259 WeakPolarHBondContact CD-OD1 3.49Å; R257-D259 WeakPolarHBondContact CG-OD1 3.37Å; R257-D259 IonicContact CZ-OD1 3.01Å; R257-D259 IonicContact CZ-OD2 3.68Å; R257-D259 IonicContact NE-OD1 2.93Å; R257-D259 PolarHBondContact NE-OD1 2.99Å; R257-D259 IonicContact NE-OD2 3.94Å; R257-D259 PolarHBondContact NE-OD2 2.92Å; R257-D259 IonicContact NH2-OD1 2.82Å; R257-D259 IonicContact NH2-OD2 2.7Å; R257-D259 PolarHBondContact NH2-OD2 2.81Å; R257-T260 WeakPolarHBondContact CD-OG1 3.2Å; R257-S261 WeakPolarHBondContact O-CA 3.44Å; R257-S261 PolarHBondContact O-N 3.4Å; R257-L262 PolarHBondContact N-O 3.34Å; R257-Y264 HydrophobicContact CB-CD2 4.42Å; R257-Y264 HydrophobicContact CB-CE2 4.16Å; R257-L324 HydrophobicContact CG-CD1 4.13Å; R257-S328 CarbonylContact C-O 3.49Å; R257-S328 WeakPolarHBondContact CA-O 3.45Å; R257-I329 HydrophobicContact CG-CG2 4.47Å
258	L	89.9	Confident	92.8	Very high	78 Å²	78	43.7 Å²	43.7	41%	0.408	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-34.8	-169.6	-75.8	178.3	0	0	0	114.3	S328 I330	L258-S328 PolarHBondContact N-O 2.92Å; L258-I330 HydrophobicContact CD1-CD1 4.1Å; L258-I330 HydrophobicContact CD1-CG1 4.08Å; L258-I330 HydrophobicContact CD2-CD1 3.54Å; L258-I330 HydrophobicContact CD2-CG1 3.98Å; L258-I330 HydrophobicContact CG-CD1 4.12Å; L258-I330 HydrophobicContact CG-CG1 4.06Å
259	D	88.9	Confident	93.1	Very high	97 Å²	97	42 Å²	42	52%	0.519	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-28.7	-176.7	60.5	-2.6	0	0	0	113.8	R257	R257-D259 WeakPolarHBondContact CD-OD1 3.49Å; R257-D259 WeakPolarHBondContact CG-OD1 3.37Å; R257-D259 IonicContact CZ-OD1 3.01Å; R257-D259 IonicContact CZ-OD2 3.68Å; R257-D259 IonicContact NE-OD1 2.93Å; R257-D259 PolarHBondContact NE-OD1 2.99Å; R257-D259 IonicContact NE-OD2 3.94Å; R257-D259 PolarHBondContact NE-OD2 2.92Å; R257-D259 IonicContact NH2-OD1 2.82Å; R257-D259 IonicContact NH2-OD2 2.7Å; R257-D259 PolarHBondContact NH2-OD2 2.81Å
260	T	90.2	Very high	92.8	Very high	63 Å²	63	42 Å²	42	39%	0.387	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-10.2	-173.8	47.6	0	0	0	0	111.9	R257 L262	R257-T260 WeakPolarHBondContact CD-OG1 3.2Å; T260-L262 PolarHBondContact O-N 3.01Å
261	S	90.2	Very high	92.4	Very high	84 Å²	84	46 Å²	46	59%	0.587	23%	0.231	S	C	*	.			trans	57.3	8.7	-172.3	-61.2	0	0	0	0	115.1	R257	R257-S261 WeakPolarHBondContact O-CA 3.44Å; R257-S261 PolarHBondContact O-N 3.4Å
262	L	92.4	Very high	92.1	Very high	81 Å²	81	47.9 Å²	47.9	42%	0.424	24%	0.241	S	C	.	.			trans	-67.6	138.9	177.7	-68.7	174.6	0	0	0	110.6	R256 R257 T260 Y264	R256-L262 WeakPolarHBondContact CA-O 3.46Å; R257-L262 PolarHBondContact N-O 3.34Å; T260-L262 PolarHBondContact O-N 3.01Å; L262-Y264 HydrophobicContact CB-CE2 4.19Å
263	V	95.1	Very high	91.7	Very high	52 Å²	52	53.8 Å²	53.8	32%	0.315	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.8	176	-179.9	0	0	0	0	109.1	F254 V255 R256 L332	F254-V263 HydrophobicContact CB-CG1 4.41Å; F254-V263 HydrophobicContact CD1-CG1 4.28Å; V255-V263 CarbonylContact O-C 3.59Å; V255-V263 WeakPolarHBondContact O-CA 3.44Å; R256-V263 HydrophobicContact CB-CG2 4.43Å; R256-V263 HydrophobicContact CG-CG2 4.4Å; V263-L332 HydrophobicContact CG1-CD1 4.16Å; V263-L332 HydrophobicContact CG2-CD1 4.2Å
264	Y	95.3	Very high	91.2	Very high	16 Å²	16	58.2 Å²	58.2	6%	0.063	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	138.3	172.1	-73.1	-94.9	0	0	0	110.7	F254 V255 R257 L262 E281 T282 V307 Q311	F254-Y264 WeakPolarHBondContact CA-O 3.47Å; V255-Y264 PolarHBondContact N-O 2.81Å; V255-Y264 PolarHBondContact O-N 3.45Å; R257-Y264 HydrophobicContact CB-CD2 4.42Å; R257-Y264 HydrophobicContact CB-CE2 4.16Å; L262-Y264 HydrophobicContact CB-CE2 4.19Å; Y264-E281 WeakPolarHBondContact CE1-O 3.39Å; Y264-T282 CarbonylContact C-O 3.49Å; Y264-T282 WeakPolarHBondContact CA-O 3.31Å; Y264-T282 HydrophobicContact CE1-CG2 4.38Å; Y264-V307 HydrophobicContact CD1-CG1 4.12Å; Y264-V307 HydrophobicContact CD2-CG1 4.15Å; Y264-V307 HydrophobicContact CE1-CG1 4.29Å; Y264-V307 HydrophobicContact CE2-CG1 4.31Å; Y264-V307 HydrophobicContact CG-CG1 4.07Å; Y264-V307 HydrophobicContact CG-CG2 4.29Å; Y264-Q311 HydrophobicContact CE1-CG 3.96Å; Y264-Q311 PolarHBondContact OH-NE2 2.94Å
265	R	96.5	Very high	90.8	Very high	99 Å²	99	58 Å²	58	37%	0.374	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	111.2	175.2	-66	-178.3	-74.5	-139.5	-5.1	108.6	T252 F254 H267 T282 D283 V284	T252-R265 HydrophobicContact CG2-CB 4.23Å; F254-R265 HydrophobicContact CD1-CG 3.75Å; F254-R265 HydrophobicContact CE1-CG 3.63Å; F254-R265 HydrophobicContact CZ-CG 4.4Å; R265-H267 PolarHBondContact O-CD2 3.24Å; R265-T282 PolarHBondContact N-O 3.16Å; R265-D283 WeakPolarHBondContact CB-OD1 3.44Å; R265-D283 WeakPolarHBondContact CD-OD1 3.15Å; R265-D283 IonicContact CZ-OD1 3.63Å; R265-D283 IonicContact CZ-OD2 3.75Å; R265-D283 VanDerWaalsContact CZ-OD2 3.27Å; R265-D283 IonicContact NE-OD1 3.76Å; R265-D283 PolarHBondContact NE-OD1 3.14Å; R265-D283 IonicContact NE-OD2 2.75Å; R265-D283 PolarHBondContact NE-OD2 2.92Å; R265-D283 IonicContact NH2-OD1 3.38Å; R265-D283 IonicContact NH2-OD2 3.86Å; R265-D283 PolarHBondContact NH2-OD2 3.41Å; R265-D283 WeakPolarHBondContact O-CA 3.4Å; R265-V284 PolarHBondContact O-N 3.03Å
266	I	95.7	Very high	90.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	103	-179.2	-49.6	175.5	0	0	0	107.6	T252 I253 V255 Y268 V284 F286 L303 D306 V307	T252-I266 CarbonylContact C-O 3.48Å; T252-I266 VanDerWaalsContact CA-O 3.28Å; T252-I266 WeakPolarHBondContact CA-O 3.29Å; I253-I266 HydrophobicContact CB-CB 4.46Å; I253-I266 PolarHBondContact N-O 3.35Å; I253-I266 PolarHBondContact O-N 2.96Å; V255-I266 HydrophobicContact CG2-CD1 3.81Å; I266-Y268 HydrophobicContact CB-CE2 4.02Å; I266-Y268 HydrophobicContact CG2-CD2 4.2Å; I266-Y268 HydrophobicContact CG2-CE1 4.33Å; I266-Y268 HydrophobicContact CG2-CE2 3.38Å; I266-Y268 WeakPolarHBondContact O-CD2 3.47Å; I266-V284 CarbonylContact C-O 3.6Å; I266-V284 WeakPolarHBondContact CA-O 3.32Å; I266-V284 HydrophobicContact CB-CG1 4.22Å; I266-V284 HydrophobicContact CG1-CG1 3.98Å; I266-V284 HydrophobicContact CG2-CG1 4.04Å; I266-F286 HydrophobicContact CG2-CD2 3.65Å; I266-F286 HydrophobicContact CG2-CE2 3.69Å; I266-L303 HydrophobicContact CD1-CD2 4.22Å; I266-D306 HydrophobicContact CD1-CB 4.11Å; I266-D306 HydrophobicContact CG2-CB 4.44Å; I266-V307 HydrophobicContact CD1-CG2 3.92Å
267	H	94.8	Very high	90.3	Very high	42 Å²	42	59.7 Å²	59.7	19%	0.194	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.6	-177.5	-55.9	-86.6	0	0	0	110.2	T252 R265 D283 V284 L285 F286	T252-H267 WeakPolarHBondContact CG2-ND1 3.35Å; T252-H267 PolarHBondContact OG1-ND1 2.69Å; T252-H267 VanDerWaalsContact OG1-ND1 3.09Å; R265-H267 PolarHBondContact O-CD2 3.24Å; H267-D283 IonicContact CD2-OD1 3.72Å; H267-D283 IonicContact CE1-OD1 2.81Å; H267-D283 IonicContact NE2-OD1 3.8Å; H267-D283 PolarHBondContact NE2-OD1 3.33Å; H267-V284 PolarHBondContact CD2-O 3.1Å; H267-V284 PolarHBondContact N-O 2.9Å; H267-L285 HydrophobicContact CB-CB 4.26Å; H267-L285 HydrophobicContact CB-CD1 4.39Å; H267-L285 HydrophobicContact CB-CG 4.24Å; H267-L285 CarbonylContact O-C 3.51Å; H267-L285 VanDerWaalsContact O-CA 3.31Å; H267-L285 WeakPolarHBondContact O-CA 3.35Å; H267-F286 PolarHBondContact O-N 2.73Å
268	Y	93.3	Very high	90.2	Very high	1 Å²	1	59.7 Å²	59.7	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.6	177.8	-68.2	-82.3	0	0	0	108	M149 N250 F251 I253 I266 F286 L288 R301 D306	M149-Y268 HydrophobicContact CE-CD1 4.39Å; M149-Y268 HydrophobicContact SD-CD1 3.28Å; M149-Y268 WeakPolarHBondContact SD-CD1 3.49Å; M149-Y268 HydrophobicContact SD-CE1 3.79Å; M149-Y268 HydrophobicContact SD-CG 4.12Å; N250-Y268 CarbonylContact C-O 3.45Å; N250-Y268 VanDerWaalsContact CA-O 3.25Å; N250-Y268 WeakPolarHBondContact CA-O 2.79Å; F251-Y268 AromaticContact CD2-CD2 3.51Å; F251-Y268 HydrophobicContact CD2-CD2 3.51Å; F251-Y268 HydrophobicContact CD2-CE2 4.33Å; F251-Y268 AromaticContact CD2-CG 3.91Å; F251-Y268 HydrophobicContact CD2-CG 3.91Å; F251-Y268 HydrophobicContact CE1-CG 4.32Å; F251-Y268 VanDerWaalsContact CE2-CB 3.47Å; F251-Y268 HydrophobicContact CE2-CD1 4.12Å; F251-Y268 AromaticContact CE2-CD2 3.12Å; F251-Y268 HydrophobicContact CE2-CD2 3.12Å; F251-Y268 AromaticContact CE2-CE2 3.76Å; F251-Y268 HydrophobicContact CE2-CE2 3.76Å; F251-Y268 AromaticContact CE2-CG 3.29Å; F251-Y268 HydrophobicContact CE2-CG 3.29Å; F251-Y268 VanDerWaalsContact CZ-CB 3.41Å; F251-Y268 HydrophobicContact CZ-CD1 4.08Å; F251-Y268 AromaticContact CZ-CD2 3.88Å; F251-Y268 HydrophobicContact CZ-CD2 3.88Å; F251-Y268 AromaticContact CZ-CG 3.52Å; F251-Y268 HydrophobicContact CZ-CG 3.52Å; F251-Y268 PolarHBondContact N-O 2.69Å; F251-Y268 WeakPolarHBondContact O-CB 3.43Å; F251-Y268 PolarHBondContact O-N 2.92Å; I253-Y268 HydrophobicContact CB-CE2 4.38Å; I253-Y268 HydrophobicContact CD1-CD2 4.28Å; I253-Y268 HydrophobicContact CD1-CE2 3.54Å; I253-Y268 HydrophobicContact CG1-CD2 4.29Å; I253-Y268 HydrophobicContact CG1-CE2 3.85Å; I266-Y268 HydrophobicContact CB-CE2 4.02Å; I266-Y268 HydrophobicContact CG2-CD2 4.2Å; I266-Y268 HydrophobicContact CG2-CE1 4.33Å; I266-Y268 HydrophobicContact CG2-CE2 3.38Å; I266-Y268 WeakPolarHBondContact O-CD2 3.47Å; Y268-F286 WeakPolarHBondContact CA-O 3.34Å; Y268-F286 HydrophobicContact CD1-CB 3.77Å; Y268-F286 HydrophobicContact CD1-CG 4.44Å; Y268-F286 HydrophobicContact CE1-CB 4Å; Y268-F286 HydrophobicContact CE1-CD2 4.11Å; Y268-F286 HydrophobicContact CE1-CG 4.18Å; Y268-L288 HydrophobicContact CD1-CD2 3.98Å; Y268-L288 HydrophobicContact CG-CD2 4.37Å; Y268-R301 HydrophobicContact CE1-CG 4.27Å; Y268-D306 PolarHBondContact OH-OD2 3.04Å
269	N	90.4	Very high	90.3	Very high	30 Å²	30	59.8 Å²	59.8	16%	0.16	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.5	-167.7	-170.2	-55	0	0	0	113.2	N250 M271 I272 L285 F286 L288	N250-N269 VanDerWaalsContact OD1-CA 3.3Å; N250-N269 WeakPolarHBondContact OD1-CA 3.12Å; N250-N269 PolarHBondContact OD1-OD1 3.29Å; N269-M271 VanDerWaalsContact C-N 3.25Å; N269-M271 PolarHBondContact O-N 3.03Å; N269-M271 WeakPolarHBondContact OD1-CA 3.25Å; N269-M271 WeakPolarHBondContact OD1-CB 3.26Å; N269-M271 PolarHBondContact OD1-N 2.95Å; N269-I272 HydrophobicContact CB-CB 4.32Å; N269-I272 HydrophobicContact CB-CD1 3.97Å; N269-I272 HydrophobicContact CB-CG1 4.27Å; N269-I272 PolarHBondContact O-N 3.22Å; N269-I272 PolarHBondContact OD1-N 3.07Å; N269-L285 HydrophobicContact CB-CD1 4.3Å; N269-L285 HydrophobicContact CB-CD2 4.42Å; N269-L285 HydrophobicContact CB-CG 4.42Å; N269-F286 PolarHBondContact N-O 3.46Å; N269-L288 WeakPolarHBondContact O-CB 3.3Å; N269-L288 PolarHBondContact O-N 3.47Å
270	G	84	Confident	90.5	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.01	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.5	-178.5	0	0	0	0	0	116	N250 G289	N250-G270 PolarHBondContact OD1-N 3.38Å; G270-G289 CarbonylContact C-O 3.28Å; G270-G289 CarbonylContact O-C 3.57Å
271	M	83.1	Confident	90.4	Very high	123 Å²	123	63.6 Å²	63.6	61%	0.606	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-10.6	-177.1	-68.5	-63.6	-69.7	0	0	113.4	N248 N269	N248-M271 HydrophobicContact CB-CG 4.19Å; N248-M271 HydrophobicContact CB-SD 4.09Å; N248-M271 PolarHBondContact ND2-SD 3.16Å; N269-M271 VanDerWaalsContact C-N 3.25Å; N269-M271 PolarHBondContact O-N 3.03Å; N269-M271 WeakPolarHBondContact OD1-CA 3.25Å; N269-M271 WeakPolarHBondContact OD1-CB 3.26Å; N269-M271 PolarHBondContact OD1-N 2.95Å
272	I	86.9	Confident	90.5	Very high	42 Å²	42	61 Å²	61	22%	0.215	30%	0.298	C	S	.	.			trans	-102.7	128.2	-174.6	-66.2	172.8	0	0	0	109.1	N269 E274 L285 G287 L288 G289	N269-I272 HydrophobicContact CB-CB 4.32Å; N269-I272 HydrophobicContact CB-CD1 3.97Å; N269-I272 HydrophobicContact CB-CG1 4.27Å; N269-I272 PolarHBondContact O-N 3.22Å; N269-I272 PolarHBondContact OD1-N 3.07Å; I272-E274 HydrophobicContact CG2-CB 3.82Å; I272-L285 HydrophobicContact CB-CD2 4.24Å; I272-L285 HydrophobicContact CD1-CD1 3.62Å; I272-L285 HydrophobicContact CD1-CD2 3.57Å; I272-L285 HydrophobicContact CD1-CG 4.24Å; I272-L285 HydrophobicContact CG1-CD2 4.5Å; I272-L285 HydrophobicContact CG2-CD2 3.9Å; I272-G287 CarbonylContact O-C 3.59Å; I272-G287 WeakPolarHBondContact O-CA 3.39Å; I272-L288 PolarHBondContact O-N 3.32Å; I272-G289 PolarHBondContact O-N 3.49Å
273	N	84.7	Confident	90.6	Very high	134 Å²	134	57.7 Å²	57.7	72%	0.717	28%	0.281	S	S	*	.			trans	-92.9	-13.2	175.8	-69.6	-26	0	0	0	112.9	G289	N273-G289 WeakPolarHBondContact OD1-CA 3.43Å
274	E	87	Confident	90.5	Very high	93 Å²	93	55.4 Å²	55.4	44%	0.435	27%	0.267	S	S	.	.	S	Bend	trans	-66.1	127.9	174.5	-173.3	178.5	-168.5	0	0	109.4	I272 I276 R277 G287	I272-E274 HydrophobicContact CG2-CB 3.82Å; E274-I276 VanDerWaalsContact C-N 3.32Å; E274-I276 PolarHBondContact O-N 3.35Å; E274-R277 WeakPolarHBondContact OE2-CB 3.46Å; E274-R277 WeakPolarHBondContact OE2-CD 3.41Å; E274-G287 WeakPolarHBondContact O-CA 3.44Å; E274-G287 PolarHBondContact O-N 3.1Å
275	P	86.9	Confident	90.5	Very high	25 Å²	25	55.3 Å²	55.3	16%	0.162	27%	0.267	C	S	.	.	S	Bend	trans	-63.2	-39.4	-173.3	23.3	-33.7	0	0	0	112.5	M155 P163 F286 G287	M155-P275 HydrophobicContact SD-CB 3.66Å; M155-P275 HydrophobicContact SD-CG 4.2Å; P163-P275 HydrophobicContact CB-CG 3.91Å; P163-P275 HydrophobicContact CG-CG 3.73Å; P275-F286 WeakPolarHBondContact O-CA 3.47Å; P275-F286 WeakPolarHBondContact O-CD1 3.39Å; P275-G287 PolarHBondContact O-N 3.09Å
276	I	88.7	Confident	90.3	Very high	10 Å²	10	50.6 Å²	50.6	5%	0.051	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	137.1	179.7	-174.3	170.9	0	0	0	110.2	L146 E274 V284 L285 F286 H309 L313	L146-I276 HydrophobicContact CD1-CG2 4.01Å; E274-I276 VanDerWaalsContact C-N 3.32Å; E274-I276 PolarHBondContact O-N 3.35Å; I276-V284 HydrophobicContact CD1-CG2 3.8Å; I276-V284 HydrophobicContact CG1-CG2 3.74Å; I276-L285 CarbonylContact C-O 3.59Å; I276-L285 VanDerWaalsContact CA-O 3.27Å; I276-L285 WeakPolarHBondContact CA-O 3.5Å; I276-F286 HydrophobicContact CB-CD1 4.14Å; I276-F286 HydrophobicContact CB-CE1 4.07Å; I276-F286 HydrophobicContact CD1-CD1 4.4Å; I276-F286 HydrophobicContact CD1-CE1 3.56Å; I276-F286 HydrophobicContact CD1-CE2 4.44Å; I276-F286 HydrophobicContact CD1-CZ 3.59Å; I276-F286 HydrophobicContact CG1-CD1 4.23Å; I276-F286 HydrophobicContact CG1-CE1 3.88Å; I276-F286 HydrophobicContact CG1-CZ 4.14Å; I276-H309 HydrophobicContact CD1-CB 4Å; I276-L313 HydrophobicContact CB-CD1 4.31Å; I276-L313 HydrophobicContact CD1-CD1 3.62Å; I276-L313 HydrophobicContact CG1-CD1 3.85Å; I276-L313 HydrophobicContact CG2-CD1 3.52Å
277	R	89.7	Confident	90	Very high	133 Å²	133	50.9 Å²	50.9	50%	0.502	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.9	177	-175.5	177.9	172.9	179.3	-0.1	110.2	E274 L279 L285	E274-R277 WeakPolarHBondContact OE2-CB 3.46Å; E274-R277 WeakPolarHBondContact OE2-CD 3.41Å; R277-L279 HydrophobicContact CG-CD2 4.47Å; R277-L285 HydrophobicContact CB-CB 4.4Å; R277-L285 HydrophobicContact CB-CD2 4.43Å; R277-L285 PolarHBondContact N-O 3.29Å; R277-L285 PolarHBondContact O-N 3.48Å
278	I	90.7	Very high	89.5	Confident	49 Å²	49	49.4 Å²	49.4	25%	0.251	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.8	173.9	-55.5	-52.1	0	0	0	109.3	N280 V284 G310 L313 A314	I278-N280 VanDerWaalsContact CG2-O 3.25Å; I278-N280 WeakPolarHBondContact CG2-O 3.32Å; I278-V284 HydrophobicContact CD1-CB 4.28Å; I278-V284 HydrophobicContact CD1-CG2 3.95Å; I278-G310 VanDerWaalsContact CD1-O 3.29Å; I278-G310 WeakPolarHBondContact CD1-O 3.48Å; I278-L313 HydrophobicContact CD1-CB 3.82Å; I278-L313 HydrophobicContact CD1-CD1 4.4Å; I278-L313 HydrophobicContact CG1-CB 3.52Å; I278-L313 HydrophobicContact CG1-CD1 4.47Å; I278-A314 HydrophobicContact CG2-CB 3.99Å
279	L	92.5	Very high	88.9	Confident	81 Å²	81	50 Å²	50	42%	0.424	25%	0.252	S	S	.	.			trans	-92.3	-42.5	176.1	-56.4	-178.1	0	0	0	110.7	R277 D283 L285	R277-L279 HydrophobicContact CG-CD2 4.47Å; L279-D283 HydrophobicContact CB-CB 3.84Å; L279-D283 HydrophobicContact CD1-CB 4.35Å; L279-D283 PolarHBondContact N-O 3.34Å; L279-L285 HydrophobicContact CD1-CB 4.17Å; L279-L285 HydrophobicContact CD1-CD1 4.35Å; L279-L285 HydrophobicContact CD2-CB 4.33Å; L279-L285 HydrophobicContact CD2-CD1 4.49Å; L279-L285 HydrophobicContact CG-CB 4.13Å
280	N	91.6	Very high	88.5	Confident	73 Å²	73	54.3 Å²	54.3	39%	0.39	28%	0.28	S	S	.	.	S	Bend	trans	-158.8	-170.6	171.1	65.6	51.6	0	0	0	109.7	I278 T282 D283	I278-N280 VanDerWaalsContact CG2-O 3.25Å; I278-N280 WeakPolarHBondContact CG2-O 3.32Å; N280-T282 PolarHBondContact O-N 3.07Å; N280-T282 PolarHBondContact OD1-N 2.86Å; N280-T282 PolarHBondContact OD1-OG1 3.42Å; N280-D283 PolarHBondContact N-O 3.39Å; N280-D283 WeakPolarHBondContact ND2-CB 3.26Å; N280-D283 VanDerWaalsContact ND2-CG 3.27Å; N280-D283 PolarHBondContact ND2-OD2 3.2Å; N280-D283 PolarHBondContact O-N 2.83Å; N280-D283 WeakPolarHBondContact OD1-CB 3.25Å; N280-D283 PolarHBondContact OD1-N 2.88Å; N280-D283 PolarHBondContact OD1-OD2 2.81Å
281	E	88.2	Confident	88.6	Confident	167 Å²	167	54.9 Å²	54.9	78%	0.78	28%	0.283	S	S	*	.	S	Bend	trans	-63.2	-22.1	-175.9	-61.7	-173.1	170.9	0	0	115.1	Y264	Y264-E281 WeakPolarHBondContact CE1-O 3.39Å
282	T	92.4	Very high	88.8	Confident	30 Å²	30	55.5 Å²	55.5	18%	0.184	28%	0.282	C	S	.	.	S	Bend	trans	-119.4	-6.7	-179.8	55.8	0	0	0	0	113.8	Y264 R265 N280	Y264-T282 CarbonylContact C-O 3.49Å; Y264-T282 WeakPolarHBondContact CA-O 3.31Å; Y264-T282 HydrophobicContact CE1-CG2 4.38Å; R265-T282 PolarHBondContact N-O 3.16Å; N280-T282 PolarHBondContact O-N 3.07Å; N280-T282 PolarHBondContact OD1-N 2.86Å; N280-T282 PolarHBondContact OD1-OG1 3.42Å
283	D	95.3	Very high	89	Confident	11 Å²	11	61.1 Å²	61.1	6%	0.059	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	116.3	-178.7	-71.4	-111.4	0	0	0	110.8	R265 H267 L279 N280	R265-D283 WeakPolarHBondContact CB-OD1 3.44Å; R265-D283 WeakPolarHBondContact CD-OD1 3.15Å; R265-D283 IonicContact CZ-OD1 3.63Å; R265-D283 IonicContact CZ-OD2 3.75Å; R265-D283 VanDerWaalsContact CZ-OD2 3.27Å; R265-D283 IonicContact NE-OD1 3.76Å; R265-D283 PolarHBondContact NE-OD1 3.14Å; R265-D283 IonicContact NE-OD2 2.75Å; R265-D283 PolarHBondContact NE-OD2 2.92Å; R265-D283 IonicContact NH2-OD1 3.38Å; R265-D283 IonicContact NH2-OD2 3.86Å; R265-D283 PolarHBondContact NH2-OD2 3.41Å; R265-D283 WeakPolarHBondContact O-CA 3.4Å; H267-D283 IonicContact CD2-OD1 3.72Å; H267-D283 IonicContact CE1-OD1 2.81Å; H267-D283 IonicContact NE2-OD1 3.8Å; H267-D283 PolarHBondContact NE2-OD1 3.33Å; L279-D283 HydrophobicContact CB-CB 3.84Å; L279-D283 HydrophobicContact CD1-CB 4.35Å; L279-D283 PolarHBondContact N-O 3.34Å; N280-D283 PolarHBondContact N-O 3.39Å; N280-D283 WeakPolarHBondContact ND2-CB 3.26Å; N280-D283 VanDerWaalsContact ND2-CG 3.27Å; N280-D283 PolarHBondContact ND2-OD2 3.2Å; N280-D283 PolarHBondContact O-N 2.83Å; N280-D283 WeakPolarHBondContact OD1-CB 3.25Å; N280-D283 PolarHBondContact OD1-N 2.88Å; N280-D283 PolarHBondContact OD1-OD2 2.81Å
284	V	93.8	Very high	89.3	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.8	176	57.6	0	0	0	0	109	R265 I266 H267 I276 I278 F286	R265-V284 PolarHBondContact O-N 3.03Å; I266-V284 CarbonylContact C-O 3.6Å; I266-V284 WeakPolarHBondContact CA-O 3.32Å; I266-V284 HydrophobicContact CB-CG1 4.22Å; I266-V284 HydrophobicContact CG1-CG1 3.98Å; I266-V284 HydrophobicContact CG2-CG1 4.04Å; H267-V284 PolarHBondContact CD2-O 3.1Å; H267-V284 PolarHBondContact N-O 2.9Å; I276-V284 HydrophobicContact CD1-CG2 3.8Å; I276-V284 HydrophobicContact CG1-CG2 3.74Å; I278-V284 HydrophobicContact CD1-CB 4.28Å; I278-V284 HydrophobicContact CD1-CG2 3.95Å; V284-F286 HydrophobicContact CB-CE2 4.44Å; V284-F286 HydrophobicContact CG1-CE2 3.96Å; V284-F286 HydrophobicContact CG2-CD2 4.15Å; V284-F286 HydrophobicContact CG2-CE2 3.6Å; V284-F286 HydrophobicContact CG2-CZ 4.04Å
285	L	93.6	Very high	89.5	Confident	14 Å²	14	59.4 Å²	59.4	7%	0.073	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.1	176.7	-176	149.1	0	0	0	109.8	H267 N269 I272 I276 R277 L279	H267-L285 HydrophobicContact CB-CB 4.26Å; H267-L285 HydrophobicContact CB-CD1 4.39Å; H267-L285 HydrophobicContact CB-CG 4.24Å; H267-L285 CarbonylContact O-C 3.51Å; H267-L285 VanDerWaalsContact O-CA 3.31Å; H267-L285 WeakPolarHBondContact O-CA 3.35Å; N269-L285 HydrophobicContact CB-CD1 4.3Å; N269-L285 HydrophobicContact CB-CD2 4.42Å; N269-L285 HydrophobicContact CB-CG 4.42Å; I272-L285 HydrophobicContact CB-CD2 4.24Å; I272-L285 HydrophobicContact CD1-CD1 3.62Å; I272-L285 HydrophobicContact CD1-CD2 3.57Å; I272-L285 HydrophobicContact CD1-CG 4.24Å; I272-L285 HydrophobicContact CG1-CD2 4.5Å; I272-L285 HydrophobicContact CG2-CD2 3.9Å; I276-L285 CarbonylContact C-O 3.59Å; I276-L285 VanDerWaalsContact CA-O 3.27Å; I276-L285 WeakPolarHBondContact CA-O 3.5Å; R277-L285 HydrophobicContact CB-CB 4.4Å; R277-L285 HydrophobicContact CB-CD2 4.43Å; R277-L285 PolarHBondContact N-O 3.29Å; R277-L285 PolarHBondContact O-N 3.48Å; L279-L285 HydrophobicContact CD1-CB 4.17Å; L279-L285 HydrophobicContact CD1-CD1 4.35Å; L279-L285 HydrophobicContact CD2-CB 4.33Å; L279-L285 HydrophobicContact CD2-CD1 4.49Å; L279-L285 HydrophobicContact CG-CB 4.13Å
286	F	92.5	Very high	89.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.9	171.1	-70.4	-88	0	0	0	109.3	I266 H267 Y268 N269 P275 I276 V284 L288 D306	I266-F286 HydrophobicContact CG2-CD2 3.65Å; I266-F286 HydrophobicContact CG2-CE2 3.69Å; H267-F286 PolarHBondContact O-N 2.73Å; Y268-F286 WeakPolarHBondContact CA-O 3.34Å; Y268-F286 HydrophobicContact CD1-CB 3.77Å; Y268-F286 HydrophobicContact CD1-CG 4.44Å; Y268-F286 HydrophobicContact CE1-CB 4Å; Y268-F286 HydrophobicContact CE1-CD2 4.11Å; Y268-F286 HydrophobicContact CE1-CG 4.18Å; N269-F286 PolarHBondContact N-O 3.46Å; P275-F286 WeakPolarHBondContact O-CA 3.47Å; P275-F286 WeakPolarHBondContact O-CD1 3.39Å; I276-F286 HydrophobicContact CB-CD1 4.14Å; I276-F286 HydrophobicContact CB-CE1 4.07Å; I276-F286 HydrophobicContact CD1-CD1 4.4Å; I276-F286 HydrophobicContact CD1-CE1 3.56Å; I276-F286 HydrophobicContact CD1-CE2 4.44Å; I276-F286 HydrophobicContact CD1-CZ 3.59Å; I276-F286 HydrophobicContact CG1-CD1 4.23Å; I276-F286 HydrophobicContact CG1-CE1 3.88Å; I276-F286 HydrophobicContact CG1-CZ 4.14Å; V284-F286 HydrophobicContact CB-CE2 4.44Å; V284-F286 HydrophobicContact CG1-CE2 3.96Å; V284-F286 HydrophobicContact CG2-CD2 4.15Å; V284-F286 HydrophobicContact CG2-CE2 3.6Å; V284-F286 HydrophobicContact CG2-CZ 4.04Å; F286-L288 WeakPolarHBondContact O-CD2 3.28Å; F286-D306 HydrophobicContact CE2-CB 3.88Å; F286-D306 HydrophobicContact CZ-CB 3.89Å
287	G	90.3	Very high	89.9	Confident	7 Å²	7	62.4 Å²	62.4	7%	0.072	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	134.1	173.3	0	0	0	0	0	111.4	I272 E274 P275	I272-G287 CarbonylContact O-C 3.59Å; I272-G287 WeakPolarHBondContact O-CA 3.39Å; E274-G287 WeakPolarHBondContact O-CA 3.44Å; E274-G287 PolarHBondContact O-N 3.1Å; P275-G287 PolarHBondContact O-N 3.09Å
288	L	83.6	Confident	90.1	Very high	11 Å²	11	59.6 Å²	59.6	6%	0.058	30%	0.295	C	S	.	.			trans	-93.8	-22.8	178.5	-82.7	159.5	0	0	0	111.7	M149 F251 Y268 N269 I272 F286 L291	M149-L288 HydrophobicContact CB-CD2 3.97Å; M149-L288 HydrophobicContact CE-CD1 3.61Å; M149-L288 HydrophobicContact CE-CD2 3.55Å; M149-L288 HydrophobicContact CE-CG 3.31Å; M149-L288 HydrophobicContact CG-CD2 3.77Å; M149-L288 HydrophobicContact CG-CG 4Å; M149-L288 HydrophobicContact SD-CD1 4.38Å; M149-L288 HydrophobicContact SD-CD2 3.16Å; M149-L288 WeakPolarHBondContact SD-CD2 3.44Å; M149-L288 HydrophobicContact SD-CG 3.63Å; F251-L288 HydrophobicContact CE1-CD1 4.02Å; Y268-L288 HydrophobicContact CD1-CD2 3.98Å; Y268-L288 HydrophobicContact CG-CD2 4.37Å; N269-L288 WeakPolarHBondContact O-CB 3.3Å; N269-L288 PolarHBondContact O-N 3.47Å; I272-L288 PolarHBondContact O-N 3.32Å; F286-L288 WeakPolarHBondContact O-CD2 3.28Å; L288-L291 HydrophobicContact CB-CD2 4.19Å; L288-L291 HydrophobicContact CD1-CD1 4.38Å; L288-L291 HydrophobicContact CG-CD2 4.46Å
289	G	81.2	Confident	90.2	Very high	12 Å²	12	57.6 Å²	57.6	12%	0.124	28%	0.284	C	S	.	.			trans	58.6	-169.1	-157.4	0	0	0	0	0	112.2	G270 I272 N273 L291	G270-G289 CarbonylContact C-O 3.28Å; G270-G289 CarbonylContact O-C 3.57Å; I272-G289 PolarHBondContact O-N 3.49Å; N273-G289 WeakPolarHBondContact OD1-CA 3.43Å; G289-L291 PolarHBondContact O-N 3.46Å; G289-L291 VanDerWaalsContact O-N 3.17Å
290	T	81.8	Confident	90.3	Very high	121 Å²	121	54.2 Å²	54.2	74%	0.742	27%	0.267	S	S	*	.	S	Bend	trans	-69.7	112.2	-178.1	-50.3	0	0	0	0	111.4
291	L	85.3	Confident	90.3	Very high	14 Å²	14	51.3 Å²	51.3	7%	0.073	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-67.7	146.8	171.8	-62.5	-176.6	0	0	0	111.1	V150 L243 T245 L288 G289 R293 F299	V150-L291 HydrophobicContact CG2-CD2 4.39Å; L243-L291 HydrophobicContact CD2-CD1 4.32Å; T245-L291 HydrophobicContact CG2-CD1 3.98Å; L288-L291 HydrophobicContact CB-CD2 4.19Å; L288-L291 HydrophobicContact CD1-CD1 4.38Å; L288-L291 HydrophobicContact CG-CD2 4.46Å; G289-L291 PolarHBondContact O-N 3.46Å; G289-L291 VanDerWaalsContact O-N 3.17Å; L291-R293 PolarHBondContact O-N 2.85Å; L291-F299 HydrophobicContact CD2-CE1 4.39Å; L291-F299 HydrophobicContact CD2-CZ 3.86Å
292	K	88.3	Confident	90.6	Very high	136 Å²	136	45.1 Å²	45.1	59%	0.591	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-67.2	124.7	171.9	-63.4	-178.8	178.6	-177.7	0	110	V295 Q297	K292-V295 HydrophobicContact CB-CB 4.16Å; K292-Q297 PolarHBondContact O-NE2 3.39Å
293	R	90.3	Very high	90.7	Very high	160 Å²	160	43.7 Å²	43.7	60%	0.604	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	143	178.5	-63.9	-172.8	-176.8	-176.1	0.5	111.3	T245 L291 V295	T245-R293 CarbonylContact O-C 3.5Å; T245-R293 WeakPolarHBondContact O-CA 3.18Å; L291-R293 PolarHBondContact O-N 2.85Å; R293-V295 PolarHBondContact O-N 3.48Å
294	N	91.2	Very high	90.6	Very high	118 Å²	118	43.4 Å²	43.4	63%	0.631	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	28.5	175.3	-57.2	-26.4	0	0	0	113.9	T245	T245-N294 PolarHBondContact O-N 2.8Å
295	V	92.5	Very high	90.5	Very high	72 Å²	72	43.5 Å²	43.5	44%	0.436	21%	0.213	S	C	.	.	S	Bend	trans	-128.8	125.9	174.2	177.6	0	0	0	0	108.6	L244 K292 R293 Q297	L244-V295 VanDerWaalsContact CD1-C 3.5Å; K292-V295 HydrophobicContact CB-CB 4.16Å; R293-V295 PolarHBondContact O-N 3.48Å; V295-Q297 PolarHBondContact O-N 3.05Å
296	W	92.5	Very high	90.5	Very high	71 Å²	71	42.8 Å²	42.8	27%	0.269	21%	0.209	S	C	.	.			trans	-60	123.8	172.3	-76	105	0	0	0	110.2	H206 A209 S242 L244 C341 C343	H206-W296 AromaticContact CD2-CE2 3.94Å; H206-W296 AromaticContact CD2-NE1 3.82Å; A209-W296 HydrophobicContact CB-CH2 4.01Å; A209-W296 HydrophobicContact CB-CZ2 4.22Å; S242-W296 WeakPolarHBondContact O-CZ3 3.36Å; L244-W296 HydrophobicContact CB-CD2 3.7Å; L244-W296 HydrophobicContact CB-CE3 3.67Å; L244-W296 HydrophobicContact CB-CG 4.37Å; L244-W296 HydrophobicContact CB-CH2 3.87Å; L244-W296 HydrophobicContact CB-CZ2 3.89Å; L244-W296 HydrophobicContact CB-CZ3 3.75Å; L244-W296 HydrophobicContact CD1-CD2 4.42Å; L244-W296 HydrophobicContact CD1-CG 4.28Å; L244-W296 HydrophobicContact CD2-CZ2 3.95Å; L244-W296 HydrophobicContact CG-CD2 4.46Å; W296-C341 HydrophobicContact CH2-CB 3.76Å; W296-C341 HydrophobicContact CZ2-CB 4.31Å; W296-C341 VanDerWaalsContact CZ3-O 3.28Å; W296-C341 WeakPolarHBondContact CZ3-O 3.36Å; W296-C343 HydrophobicContact CH2-CB 4.15Å; W296-C343 HydrophobicContact CZ3-CB 4.18Å; W296-C343 VanDerWaalsContact CZ3-SG 3.53Å
297	Q	91.5	Very high	90.5	Very high	28 Å²	28	42.8 Å²	42.8	13%	0.131	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.2	179.2	-72	166.6	107.4	0	0	109.6	S242 L243 K292 V295 F299	S242-Q297 CarbonylContact C-O 3.35Å; S242-Q297 VanDerWaalsContact CA-O 3.29Å; S242-Q297 WeakPolarHBondContact CA-O 3.27Å; L243-Q297 PolarHBondContact N-O 2.93Å; L243-Q297 PolarHBondContact O-N 3.18Å; K292-Q297 PolarHBondContact O-NE2 3.39Å; V295-Q297 PolarHBondContact O-N 3.05Å; Q297-F299 HydrophobicContact CB-CE2 3.78Å; Q297-F299 HydrophobicContact CB-CZ 4.04Å; Q297-F299 WeakPolarHBondContact O-CD2 3.39Å; Q297-F299 WeakPolarHBondContact O-CE2 2.96Å
298	R	92.8	Very high	90.5	Very high	73 Å²	73	42.8 Å²	42.8	28%	0.275	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	135.8	174	-179.9	-159.6	54.5	71.2	15	109.7	F241 T300 D354 D358	F241-R298 CarbonylContact O-C 3.24Å; F241-R298 WeakPolarHBondContact O-CA 3.37Å; R298-T300 PolarHBondContact NH1-OG1 3.43Å; R298-D354 IonicContact NH1-OD2 2.61Å; R298-D358 IonicContact CZ-OD1 2.97Å; R298-D358 IonicContact CZ-OD2 2.99Å; R298-D358 IonicContact NH1-OD2 3.56Å; R298-D358 PolarHBondContact NH1-OD2 3.48Å; R298-D358 IonicContact NH2-OD1 3.27Å; R298-D358 PolarHBondContact NH2-OD1 3.27Å; R298-D358 IonicContact NH2-OD2 3.49Å; R298-D358 PolarHBondContact NH2-OD2 3.46Å
299	F	92.9	Very high	90.8	Very high	7 Å²	7	42.3 Å²	42.3	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137	169.7	-64.8	-77.6	0	0	0	109.7	M149 V150 R240 F241 L243 L291 Q297	M149-F299 HydrophobicContact CE-CD1 3.18Å; M149-F299 HydrophobicContact CE-CE1 3.09Å; M149-F299 HydrophobicContact CE-CG 4.01Å; M149-F299 HydrophobicContact CE-CZ 3.87Å; M149-F299 HydrophobicContact CG-CD1 4.15Å; M149-F299 HydrophobicContact CG-CE1 4.09Å; M149-F299 HydrophobicContact SD-CD1 4.18Å; M149-F299 HydrophobicContact SD-CE1 4.34Å; V150-F299 HydrophobicContact CG2-CE1 4.1Å; R240-F299 CarbonylContact C-O 3.57Å; R240-F299 VanDerWaalsContact CA-O 3.25Å; R240-F299 WeakPolarHBondContact CA-O 3.32Å; F241-F299 HydrophobicContact CD1-CB 4.21Å; F241-F299 HydrophobicContact CD2-CB 4.28Å; F241-F299 HydrophobicContact CD2-CD2 4.17Å; F241-F299 HydrophobicContact CE1-CB 3.78Å; F241-F299 HydrophobicContact CE2-CB 3.85Å; F241-F299 AromaticContact CE2-CD2 3.62Å; F241-F299 HydrophobicContact CE2-CD2 3.62Å; F241-F299 AromaticContact CE2-CG 3.98Å; F241-F299 HydrophobicContact CE2-CG 3.98Å; F241-F299 HydrophobicContact CG-CB 4.45Å; F241-F299 HydrophobicContact CZ-CB 3.58Å; F241-F299 HydrophobicContact CZ-CD2 4.09Å; F241-F299 AromaticContact CZ-CG 3.97Å; F241-F299 HydrophobicContact CZ-CG 3.97Å; F241-F299 PolarHBondContact N-O 2.75Å; F241-F299 PolarHBondContact O-N 2.95Å; L243-F299 HydrophobicContact CB-CD2 4Å; L243-F299 HydrophobicContact CB-CE2 3.81Å; L243-F299 HydrophobicContact CD2-CE2 4.12Å; L291-F299 HydrophobicContact CD2-CE1 4.39Å; L291-F299 HydrophobicContact CD2-CZ 3.86Å; Q297-F299 HydrophobicContact CB-CE2 3.78Å; Q297-F299 HydrophobicContact CB-CZ 4.04Å; Q297-F299 WeakPolarHBondContact O-CD2 3.39Å; Q297-F299 WeakPolarHBondContact O-CE2 2.96Å
300	T	94	Very high	91.2	Very high	10 Å²	10	42 Å²	42	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	117.6	174.1	-66.6	0	0	0	0	107.4	T238 L239 R298 A351 D354	T238-T300 HydrophobicContact CG2-CG2 3.93Å; L239-T300 CarbonylContact O-C 3.58Å; L239-T300 WeakPolarHBondContact O-CA 3.41Å; R298-T300 PolarHBondContact NH1-OG1 3.43Å; T300-A351 HydrophobicContact CG2-CB 3.24Å; T300-D354 HydrophobicContact CG2-CB 4.3Å; T300-D354 PolarHBondContact OG1-OD2 3.09Å
301	R	92.8	Very high	91.4	Very high	13 Å²	13	37.7 Å²	37.7	5%	0.049	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.6	-174.9	-61.3	-51.7	-48	162.6	-2.3	110.4	S147 S148 T238 L239 Y268 L303 D306	S147-R301 VanDerWaalsContact CB-NH2 3.27Å; S147-R301 PolarHBondContact OG-NH2 2.93Å; S147-R301 VanDerWaalsContact OG-NH2 3.17Å; S148-R301 PolarHBondContact O-NH1 2.68Å; T238-R301 CarbonylContact C-O 3.56Å; T238-R301 WeakPolarHBondContact CA-O 3.28Å; L239-R301 PolarHBondContact N-O 2.9Å; L239-R301 PolarHBondContact O-N 3.41Å; Y268-R301 HydrophobicContact CE1-CG 4.27Å; R301-L303 HydrophobicContact CB-CD2 4.24Å; R301-L303 PolarHBondContact O-N 3.31Å; R301-D306 IonicContact CZ-OD1 3.93Å; R301-D306 IonicContact CZ-OD2 3.9Å; R301-D306 IonicContact NE-OD2 2.68Å; R301-D306 PolarHBondContact NE-OD2 2.93Å; R301-D306 IonicContact NH2-OD1 3.44Å; R301-D306 PolarHBondContact NH2-OD1 3.5Å; R301-D306 IonicContact NH2-OD2 2.82Å; R301-D306 PolarHBondContact NH2-OD2 3.31Å
302	D	93.6	Very high	91.4	Very high	37 Å²	37	39.2 Å²	39.2	20%	0.198	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	103.7	165.5	-173.7	-31.8	0	0	0	108.5	H304 I305 D306	D302-H304 PolarHBondContact O-N 2.82Å; D302-H304 WeakPolarHBondContact OD1-CB 3.35Å; D302-H304 PolarHBondContact OD1-N 2.9Å; D302-I305 HydrophobicContact CB-CB 4.03Å; D302-I305 HydrophobicContact CB-CG1 3.97Å; D302-I305 VanDerWaalsContact CG-CG1 3.43Å; D302-I305 PolarHBondContact O-N 3.36Å; D302-I305 PolarHBondContact OD1-N 2.63Å; D302-I305 VanDerWaalsContact OD1-N 3.1Å; D302-I305 WeakPolarHBondContact OD2-CG1 3.17Å; D302-D306 PolarHBondContact O-N 2.94Å
303	L	94.3	Very high	91.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-69.4	-26.4	-174.9	-59.1	176.8	0	0	0	112.1	V237 L239 I253 V255 I266 R301 V307 I329 P331	V237-L303 WeakPolarHBondContact O-CB 3.4Å; V237-L303 WeakPolarHBondContact O-CG 3.33Å; V237-L303 PolarHBondContact O-N 3.5Å; L239-L303 HydrophobicContact CB-CD1 4.11Å; L239-L303 HydrophobicContact CB-CG 4.32Å; I253-L303 HydrophobicContact CB-CD2 4.36Å; I253-L303 HydrophobicContact CD1-CD2 3.63Å; I253-L303 HydrophobicContact CG2-CD1 3.88Å; I253-L303 HydrophobicContact CG2-CD2 3.9Å; V255-L303 HydrophobicContact CG2-CB 4.21Å; V255-L303 HydrophobicContact CG2-CD1 4.24Å; I266-L303 HydrophobicContact CD1-CD2 4.22Å; R301-L303 HydrophobicContact CB-CD2 4.24Å; R301-L303 PolarHBondContact O-N 3.31Å; L303-V307 VanDerWaalsContact O-CG2 3.32Å; L303-V307 WeakPolarHBondContact O-CG2 3.11Å; L303-V307 PolarHBondContact O-N 3.43Å; L303-I329 HydrophobicContact CB-CD1 4.2Å; L303-P331 HydrophobicContact CD1-CB 3.8Å; L303-P331 HydrophobicContact CD1-CG 3.68Å
304	H	93	Very high	90.9	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.023	15%	0.154	C	C	.	.	H	α-helix	trans	-66.6	-47.2	174.5	155.3	-100	0	0	0	110.3	E141 V237 D302 D306 V307 L308 L324 A326 I329	E141-H304 IonicContact OE1-CE1 3.44Å; V237-H304 HydrophobicContact CB-CB 4.19Å; V237-H304 HydrophobicContact CG1-CB 4.46Å; V237-H304 HydrophobicContact CG2-CB 4.18Å; D302-H304 PolarHBondContact O-N 2.82Å; D302-H304 WeakPolarHBondContact OD1-CB 3.35Å; D302-H304 PolarHBondContact OD1-N 2.9Å; H304-D306 VanDerWaalsContact C-N 3.33Å; H304-D306 PolarHBondContact O-N 3.32Å; H304-V307 PolarHBondContact O-N 3.04Å; H304-L308 WeakPolarHBondContact O-CB 3.5Å; H304-L308 PolarHBondContact O-N 2.9Å; H304-L324 PolarHBondContact NE2-O 3.08Å; H304-A326 HydrophobicContact CB-CB 4.37Å; H304-I329 VanDerWaalsContact CA-CD1 3.5Å; H304-I329 HydrophobicContact CB-CD1 3.73Å; H304-I329 HydrophobicContact CB-CG1 4.24Å
305	I	93	Very high	90.3	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-62.7	-41.1	176.8	-65.8	-62.3	0	0	0	111.2	A140 E141 D302 L308 H309	A140-I305 HydrophobicContact CB-CD1 3.91Å; A140-I305 HydrophobicContact CB-CG1 4.12Å; A140-I305 HydrophobicContact CB-CG2 3.94Å; E141-I305 HydrophobicContact CG-CD1 3.82Å; D302-I305 HydrophobicContact CB-CB 4.03Å; D302-I305 HydrophobicContact CB-CG1 3.97Å; D302-I305 VanDerWaalsContact CG-CG1 3.43Å; D302-I305 PolarHBondContact O-N 3.36Å; D302-I305 PolarHBondContact OD1-N 2.63Å; D302-I305 VanDerWaalsContact OD1-N 3.1Å; D302-I305 WeakPolarHBondContact OD2-CG1 3.17Å; I305-L308 WeakPolarHBondContact O-CB 3.46Å; I305-L308 PolarHBondContact O-N 3.24Å; I305-H309 WeakPolarHBondContact CG2-CE1 3.5Å; I305-H309 PolarHBondContact O-N 2.98Å
306	D	93.3	Very high	88.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.1	-41.3	-178.8	-70.8	-17.6	0	0	0	112.6	S147 I266 Y268 F286 R301 D302 H304 L308 G310	S147-D306 WeakPolarHBondContact CB-OD1 3.14Å; S147-D306 PolarHBondContact OG-OD1 2.87Å; I266-D306 HydrophobicContact CD1-CB 4.11Å; I266-D306 HydrophobicContact CG2-CB 4.44Å; Y268-D306 PolarHBondContact OH-OD2 3.04Å; F286-D306 HydrophobicContact CE2-CB 3.88Å; F286-D306 HydrophobicContact CZ-CB 3.89Å; R301-D306 IonicContact CZ-OD1 3.93Å; R301-D306 IonicContact CZ-OD2 3.9Å; R301-D306 IonicContact NE-OD2 2.68Å; R301-D306 PolarHBondContact NE-OD2 2.93Å; R301-D306 IonicContact NH2-OD1 3.44Å; R301-D306 PolarHBondContact NH2-OD1 3.5Å; R301-D306 IonicContact NH2-OD2 2.82Å; R301-D306 PolarHBondContact NH2-OD2 3.31Å; D302-D306 PolarHBondContact O-N 2.94Å; H304-D306 VanDerWaalsContact C-N 3.33Å; H304-D306 PolarHBondContact O-N 3.32Å; D306-L308 VanDerWaalsContact C-N 3.32Å; D306-G310 PolarHBondContact O-N 3.13Å; D306-G310 VanDerWaalsContact O-N 3.07Å
307	V	92.3	Very high	87.4	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-44.7	170.3	170.4	0	0	0	0	110.6	V255 Y264 I266 L303 H304 H309 G310 Q311 L324	V255-V307 HydrophobicContact CB-CG2 4.24Å; V255-V307 HydrophobicContact CG1-CG2 4.12Å; Y264-V307 HydrophobicContact CD1-CG1 4.12Å; Y264-V307 HydrophobicContact CD2-CG1 4.15Å; Y264-V307 HydrophobicContact CE1-CG1 4.29Å; Y264-V307 HydrophobicContact CE2-CG1 4.31Å; Y264-V307 HydrophobicContact CG-CG1 4.07Å; Y264-V307 HydrophobicContact CG-CG2 4.29Å; I266-V307 HydrophobicContact CD1-CG2 3.92Å; L303-V307 VanDerWaalsContact O-CG2 3.32Å; L303-V307 WeakPolarHBondContact O-CG2 3.11Å; L303-V307 PolarHBondContact O-N 3.43Å; H304-V307 PolarHBondContact O-N 3.04Å; V307-H309 PolarHBondContact O-N 3.27Å; V307-G310 PolarHBondContact O-N 3.37Å; V307-Q311 HydrophobicContact CG1-CG 4.4Å; V307-Q311 WeakPolarHBondContact O-CG 3.37Å; V307-Q311 PolarHBondContact O-N 2.63Å; V307-L324 HydrophobicContact CG1-CD2 4.04Å
308	L	90.6	Very high	85.7	Confident	7 Å²	7	49.4 Å²	49.4	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-38.8	-175.6	-176.7	60.9	0	0	0	112.2	E141 H304 I305 D306 Q312 R321 L324	E141-L308 HydrophobicContact CG-CD2 4.18Å; H304-L308 WeakPolarHBondContact O-CB 3.5Å; H304-L308 PolarHBondContact O-N 2.9Å; I305-L308 WeakPolarHBondContact O-CB 3.46Å; I305-L308 PolarHBondContact O-N 3.24Å; D306-L308 VanDerWaalsContact C-N 3.32Å; L308-Q312 WeakPolarHBondContact O-CB 3.32Å; L308-Q312 PolarHBondContact O-N 3.49Å; L308-Q312 VanDerWaalsContact O-N 3.09Å; L308-R321 HydrophobicContact CD1-CG 4.08Å; L308-L324 HydrophobicContact CD1-CB 4.1Å
309	H	89.9	Confident	83.8	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-40	172	-67.5	166.3	0	0	0	112	A140 I145 L146 S147 I276 I305 V307 Q312 L313 R321	A140-H309 PolarHBondContact O-NE2 3.38Å; I145-H309 PolarHBondContact O-NE2 2.8Å; L146-H309 HydrophobicContact CD2-CB 4.46Å; S147-H309 WeakPolarHBondContact CB-ND1 3.46Å; S147-H309 PolarHBondContact N-CE1 3.18Å; S147-H309 PolarHBondContact N-ND1 3.03Å; S147-H309 PolarHBondContact OG-ND1 3.29Å; I276-H309 HydrophobicContact CD1-CB 4Å; I305-H309 WeakPolarHBondContact CG2-CE1 3.5Å; I305-H309 PolarHBondContact O-N 2.98Å; V307-H309 PolarHBondContact O-N 3.27Å; H309-Q312 PolarHBondContact O-N 3.29Å; H309-L313 PolarHBondContact O-N 3.21Å; H309-L313 VanDerWaalsContact O-N 3.14Å; H309-R321 PolarHBondContact CD2-NH2 2.58Å; H309-R321 VanDerWaalsContact CD2-NH2 3.35Å
310	G	89.5	Confident	82	Confident	5 Å²	5	61.6 Å²	61.6	5%	0.052	29%	0.287	C	S	.	.	H	α-helix	trans	-56.5	-50.2	173.7	0	0	0	0	0	112.5	I278 D306 V307 Q312 L313 A314	I278-G310 VanDerWaalsContact CD1-O 3.29Å; I278-G310 WeakPolarHBondContact CD1-O 3.48Å; D306-G310 PolarHBondContact O-N 3.13Å; D306-G310 VanDerWaalsContact O-N 3.07Å; V307-G310 PolarHBondContact O-N 3.37Å; G310-Q312 VanDerWaalsContact C-N 3.33Å; G310-Q312 PolarHBondContact O-N 3.38Å; G310-L313 PolarHBondContact O-N 2.63Å; G310-A314 WeakPolarHBondContact O-CB 3.41Å; G310-A314 PolarHBondContact O-N 3.06Å
311	Q	87	Confident	80.6	Confident	31 Å²	31	63 Å²	63	15%	0.145	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-40.2	177.1	-73.5	178.3	-22.1	0	0	112.7	Y264 V307 A314 S315	Y264-Q311 HydrophobicContact CE1-CG 3.96Å; Y264-Q311 PolarHBondContact OH-NE2 2.94Å; V307-Q311 HydrophobicContact CG1-CG 4.4Å; V307-Q311 WeakPolarHBondContact O-CG 3.37Å; V307-Q311 PolarHBondContact O-N 2.63Å; Q311-A314 PolarHBondContact O-N 3.31Å; Q311-S315 PolarHBondContact O-N 2.75Å
312	Q	83.8	Confident	79.3	Confident	45 Å²	45	65.7 Å²	65.7	21%	0.21	32%	0.316	C	S	.	.	H	α-helix	trans	-61.8	-45.8	-179.7	-175.6	-174.7	-44.1	0	0	111.6	E143 L308 H309 G310 S315	E143-Q312 PolarHBondContact O-NE2 3.19Å; L308-Q312 WeakPolarHBondContact O-CB 3.32Å; L308-Q312 PolarHBondContact O-N 3.49Å; L308-Q312 VanDerWaalsContact O-N 3.09Å; H309-Q312 PolarHBondContact O-N 3.29Å; G310-Q312 VanDerWaalsContact C-N 3.33Å; G310-Q312 PolarHBondContact O-N 3.38Å; Q312-S315 PolarHBondContact O-N 3.24Å
313	L	83.7	Confident	78.2	Confident	72 Å²	72	73.7 Å²	73.7	38%	0.377	35%	0.35	S	S	.	.	H	α-helix	trans	-73.7	-29.2	179.5	-68.1	176.1	0	0	0	112.6	L146 I276 I278 H309 G310 S315	L146-L313 HydrophobicContact CD2-CD1 4.29Å; L146-L313 HydrophobicContact CD2-CG 4.47Å; I276-L313 HydrophobicContact CB-CD1 4.31Å; I276-L313 HydrophobicContact CD1-CD1 3.62Å; I276-L313 HydrophobicContact CG1-CD1 3.85Å; I276-L313 HydrophobicContact CG2-CD1 3.52Å; I278-L313 HydrophobicContact CD1-CB 3.82Å; I278-L313 HydrophobicContact CD1-CD1 4.4Å; I278-L313 HydrophobicContact CG1-CB 3.52Å; I278-L313 HydrophobicContact CG1-CD1 4.47Å; H309-L313 PolarHBondContact O-N 3.21Å; H309-L313 VanDerWaalsContact O-N 3.14Å; G310-L313 PolarHBondContact O-N 2.63Å; L313-S315 VanDerWaalsContact C-N 3.35Å
314	A	84.6	Confident	77.6	Confident	34 Å²	34	74.3 Å²	74.3	28%	0.281	35%	0.353	S	S	.	.	H	α-helix	trans	-70.8	-30.1	175	0	0	0	0	0	112.7	I278 G310 Q311 R316	I278-A314 HydrophobicContact CG2-CB 3.99Å; G310-A314 WeakPolarHBondContact O-CB 3.41Å; G310-A314 PolarHBondContact O-N 3.06Å; Q311-A314 PolarHBondContact O-N 3.31Å; A314-R316 PolarHBondContact O-N 3.41Å; A314-R316 VanDerWaalsContact O-N 3.1Å
315	S	78.3	Confident	77.3	Confident	62 Å²	62	77.7 Å²	77.7	43%	0.434	38%	0.375	S	S	.	.			trans	-68.8	106.5	179.8	179.1	0	0	0	0	112	Q311 Q312 L313 K317	Q311-S315 PolarHBondContact O-N 2.75Å; Q312-S315 PolarHBondContact O-N 3.24Å; L313-S315 VanDerWaalsContact C-N 3.35Å; S315-K317 PolarHBondContact O-N 3.28Å; S315-K317 PolarHBondContact OG-O 3.45Å
316	R	63.4	Low	77	Confident	253 Å²	253	79 Å²	79	96%	0.955	39%	0.387	S	S	*	.			trans	-64.9	-24.4	173.1	-66.5	-175.4	179.7	-179.8	0.7	113.8	A314	A314-R316 PolarHBondContact O-N 3.41Å; A314-R316 VanDerWaalsContact O-N 3.1Å
317	K	61.9	Low	76.7	Confident	156 Å²	156	82.1 Å²	82.1	68%	0.678	41%	0.408	S	S	*	.	S	Bend	trans	-88.2	132.7	179.3	-64.4	-177.2	179.5	177.7	0	108.8	S315 M319	S315-K317 PolarHBondContact O-N 3.28Å; S315-K317 PolarHBondContact OG-O 3.45Å; K317-M319 HydrophobicContact CB-CG 3.83Å; K317-M319 HydrophobicContact CB-SD 4.44Å; K317-M319 HydrophobicContact CD-SD 4.25Å; K317-M319 PolarHBondContact O-N 3.4Å
318	K	54.8	Low	76.5	Confident	222 Å²	222	82.8 Å²	82.8	97%	0.965	41%	0.413	S	S	*	.			trans	-66.6	51.5	165.5	-68.5	-175.3	178	179.1	0	111.2
319	M	52.8	Low	76.6	Confident	141 Å²	141	82.5 Å²	82.5	70%	0.695	41%	0.412	S	S	*	.			trans	-79	146.3	170.1	-66	-170.8	91	0	0	108.4	K317 R321	K317-M319 HydrophobicContact CB-CG 3.83Å; K317-M319 HydrophobicContact CB-SD 4.44Å; K317-M319 HydrophobicContact CD-SD 4.25Å; K317-M319 PolarHBondContact O-N 3.4Å; M319-R321 PolarHBondContact O-N 2.76Å
320	K	56.2	Low	76.7	Confident	195 Å²	195	84.8 Å²	84.8	85%	0.848	42%	0.423	S	S	*	.			trans	-49.2	132.2	168.3	-73.1	-175.8	175	-176.8	0	108.6	A322	K320-A322 PolarHBondContact O-N 2.88Å
321	R	63.4	Low	77	Confident	40 Å²	40	85 Å²	85	15%	0.151	42%	0.423	C	S	.	.			trans	-45.4	122.5	178.7	-173	168.7	175.4	161.8	-15.9	110	A140 E141 R142 E143 L308 H309 M319 K323	A140-R321 PolarHBondContact O-NH2 2.8Å; E141-R321 PolarHBondContact O-NH1 2.86Å; R142-R321 PolarHBondContact O-NH1 3.23Å; E143-R321 HydrophobicContact CG-CB 4.17Å; E143-R321 PolarHBondContact OE1-N 2.84Å; L308-R321 HydrophobicContact CD1-CG 4.08Å; H309-R321 PolarHBondContact CD2-NH2 2.58Å; H309-R321 VanDerWaalsContact CD2-NH2 3.35Å; M319-R321 PolarHBondContact O-N 2.76Å; R321-K323 PolarHBondContact O-N 2.8Å
322	A	65.2	Low	77.3	Confident	69 Å²	69	84.1 Å²	84.1	57%	0.57	42%	0.42	S	S	*	.			trans	-61.5	129.5	175.4	0	0	0	0	0	108.5	K320 L324	K320-A322 PolarHBondContact O-N 2.88Å; A322-L324 PolarHBondContact O-N 2.62Å; A322-L324 VanDerWaalsContact O-N 3.16Å
323	K	72.4	Confident	77.6	Confident	206 Å²	206	86 Å²	86	90%	0.896	43%	0.426	S	S	*	.			trans	-69.7	112.3	175.3	-70.1	-173.1	177.5	-174.7	0	108.1	R321	R321-K323 PolarHBondContact O-N 2.8Å
324	L	80.5	Confident	78.1	Confident	13 Å²	13	82.7 Å²	82.7	7%	0.068	41%	0.408	C	S	.	.			trans	-102.6	112.8	170	-172.3	70.5	0	0	0	107.3	R257 H304 V307 L308 A322 S328 I329	R257-L324 HydrophobicContact CG-CD1 4.13Å; H304-L324 PolarHBondContact NE2-O 3.08Å; V307-L324 HydrophobicContact CG1-CD2 4.04Å; L308-L324 HydrophobicContact CD1-CB 4.1Å; A322-L324 PolarHBondContact O-N 2.62Å; A322-L324 VanDerWaalsContact O-N 3.16Å; L324-S328 WeakPolarHBondContact CD1-OG 3.49Å; L324-S328 WeakPolarHBondContact CG-OG 3.45Å; L324-I329 HydrophobicContact CD2-CG2 4.08Å
325	P	86.6	Confident	78.5	Confident	76 Å²	76	81.2 Å²	81.2	49%	0.494	40%	0.396	S	S	.	.			trans	-66.5	143.9	171.1	-19.5	32.6	0	0	0	110.5	S327 S328	P325-S327 PolarHBondContact O-N 3.15Å; P325-S328 WeakPolarHBondContact O-CB 3.21Å; P325-S328 PolarHBondContact O-N 2.96Å; P325-S328 PolarHBondContact O-OG 3.45Å
326	A	86.1	Confident	79.1	Confident	32 Å²	32	78.3 Å²	78.3	26%	0.264	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-56.1	-39	176	0	0	0	0	0	112.3	V237 H304 S328 I329	V237-A326 HydrophobicContact CG1-CB 4.26Å; V237-A326 WeakPolarHBondContact CG1-O 3.37Å; V237-A326 HydrophobicContact CG2-CB 4.15Å; H304-A326 HydrophobicContact CB-CB 4.37Å; A326-S328 PolarHBondContact O-N 3.47Å; A326-I329 VanDerWaalsContact O-CG1 3.24Å; A326-I329 WeakPolarHBondContact O-CG1 3.42Å; A326-I329 PolarHBondContact O-N 2.89Å
327	S	87.1	Confident	80.3	Confident	64 Å²	64	69.3 Å²	69.3	45%	0.448	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-65.6	-4.7	177	57.8	0	0	0	0	115.3	P325 I329	P325-S327 PolarHBondContact O-N 3.15Å; S327-I329 VanDerWaalsContact C-N 3.35Å
328	S	89.6	Confident	81.6	Confident	15 Å²	15	62.2 Å²	62.2	11%	0.105	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-90.5	3.4	178.7	71.2	0	0	0	0	113.6	R257 L258 L324 P325 A326	R257-S328 CarbonylContact C-O 3.49Å; R257-S328 WeakPolarHBondContact CA-O 3.45Å; L258-S328 PolarHBondContact N-O 2.92Å; L324-S328 WeakPolarHBondContact CD1-OG 3.49Å; L324-S328 WeakPolarHBondContact CG-OG 3.45Å; P325-S328 WeakPolarHBondContact O-CB 3.21Å; P325-S328 PolarHBondContact O-N 2.96Å; P325-S328 PolarHBondContact O-OG 3.45Å; A326-S328 PolarHBondContact O-N 3.47Å
329	I	91.8	Very high	83.2	Confident	1 Å²	1	55 Å²	55	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.8	177.1	63.6	148.3	0	0	0	112	V237 V255 R256 R257 L303 H304 L324 A326 S327	V237-I329 HydrophobicContact CB-CD1 4.09Å; V237-I329 HydrophobicContact CG1-CD1 3.79Å; V237-I329 HydrophobicContact CG1-CG1 3.69Å; V255-I329 HydrophobicContact CG1-CB 3.75Å; V255-I329 HydrophobicContact CG1-CD1 3.82Å; V255-I329 HydrophobicContact CG1-CG1 4.39Å; V255-I329 HydrophobicContact CG1-CG2 4.26Å; R256-I329 CarbonylContact O-C 3.51Å; R256-I329 VanDerWaalsContact O-CA 3.3Å; R256-I329 WeakPolarHBondContact O-CA 3.36Å; R257-I329 HydrophobicContact CG-CG2 4.47Å; L303-I329 HydrophobicContact CB-CD1 4.2Å; H304-I329 VanDerWaalsContact CA-CD1 3.5Å; H304-I329 HydrophobicContact CB-CD1 3.73Å; H304-I329 HydrophobicContact CB-CG1 4.24Å; L324-I329 HydrophobicContact CD2-CG2 4.08Å; A326-I329 VanDerWaalsContact O-CG1 3.24Å; A326-I329 WeakPolarHBondContact O-CG1 3.42Å; A326-I329 PolarHBondContact O-N 2.89Å; S327-I329 VanDerWaalsContact C-N 3.35Å
330	I	92.9	Very high	85	Confident	48 Å²	48	48.5 Å²	48.5	25%	0.246	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	119.7	173.7	-63.3	-173.4	0	0	0	109.2	T234 V255 R256 L258 L332	T234-I330 HydrophobicContact CG2-CD1 4.14Å; T234-I330 HydrophobicContact CG2-CG1 4.37Å; V255-I330 CarbonylContact C-O 3.48Å; V255-I330 WeakPolarHBondContact CA-O 3.42Å; R256-I330 PolarHBondContact N-O 2.89Å; R256-I330 PolarHBondContact O-N 3.48Å; L258-I330 HydrophobicContact CD1-CD1 4.1Å; L258-I330 HydrophobicContact CD1-CG1 4.08Å; L258-I330 HydrophobicContact CD2-CD1 3.54Å; L258-I330 HydrophobicContact CD2-CG1 3.98Å; L258-I330 HydrophobicContact CG-CD1 4.12Å; L258-I330 HydrophobicContact CG-CG1 4.06Å; I330-L332 HydrophobicContact CG2-CD2 4.31Å; I330-L332 PolarHBondContact O-N 3.5Å
331	P	94.7	Very high	86.7	Confident	9 Å²	9	40.2 Å²	40.2	6%	0.058	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	125	167.2	-18.8	33	0	0	0	110.7	L227 L303 L347	L227-P331 HydrophobicContact CB-CB 4.26Å; L227-P331 HydrophobicContact CD1-CB 4.18Å; L303-P331 HydrophobicContact CD1-CB 3.8Å; L303-P331 HydrophobicContact CD1-CG 3.68Å; P331-L347 HydrophobicContact CB-CD1 4.09Å; P331-L347 HydrophobicContact CB-CD2 4.3Å; P331-L347 HydrophobicContact CG-CD1 4.15Å; P331-L347 HydrophobicContact CG-CD2 4.05Å
332	L	93.5	Very high	88.1	Confident	13 Å²	13	38.4 Å²	38.4	7%	0.068	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-62	-176.8	-63.1	-178.9	0	0	0	111.9	L227 S228 F254 R256 V263 I330	L227-L332 WeakPolarHBondContact CA-O 3.36Å; L227-L332 PolarHBondContact N-O 2.78Å; S228-L332 PolarHBondContact N-O 3.14Å; S228-L332 PolarHBondContact OG-O 3.18Å; F254-L332 HydrophobicContact CB-CB 4.26Å; F254-L332 WeakPolarHBondContact O-CB 3.5Å; F254-L332 PolarHBondContact O-N 3.38Å; R256-L332 HydrophobicContact CB-CD1 4.05Å; R256-L332 HydrophobicContact CB-CD2 4.09Å; R256-L332 HydrophobicContact CB-CG 4.1Å; V263-L332 HydrophobicContact CG1-CD1 4.16Å; V263-L332 HydrophobicContact CG2-CD1 4.2Å; I330-L332 HydrophobicContact CG2-CD2 4.31Å; I330-L332 PolarHBondContact O-N 3.5Å
333	Y	91.1	Very high	89.4	Confident	86 Å²	86	35.3 Å²	35.3	34%	0.337	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	162.1	-179.2	55.4	-93.9	0	0	0	110.7	V224 I225 F254	V224-Y333 HydrophobicContact CG1-CD2 3.84Å; V224-Y333 HydrophobicContact CG1-CG 4Å; V224-Y333 HydrophobicContact CG2-CD2 4.5Å; I225-Y333 CarbonylContact O-C 3.58Å; I225-Y333 WeakPolarHBondContact O-CA 3.41Å; I225-Y333 VanDerWaalsContact O-CB 3.29Å; I225-Y333 WeakPolarHBondContact O-CB 3.43Å; F254-Y333 HydrophobicContact CB-CD1 4.42Å; F254-Y333 HydrophobicContact CB-CD2 4.26Å; F254-Y333 HydrophobicContact CB-CE1 4.2Å; F254-Y333 HydrophobicContact CB-CE2 4.06Å; F254-Y333 HydrophobicContact CB-CG 4.43Å; F254-Y333 AromaticContact CD1-CE2 3.8Å; F254-Y333 HydrophobicContact CD1-CE2 3.8Å; F254-Y333 AromaticContact CD1-CZ 3.67Å; F254-Y333 WeakPolarHBondContact CD1-OH 3.38Å; F254-Y333 AromaticContact CD2-CD2 3.49Å; F254-Y333 HydrophobicContact CD2-CD2 3.49Å; F254-Y333 VanDerWaalsContact CD2-CD2 3.49Å; F254-Y333 AromaticContact CD2-CE2 3.17Å; F254-Y333 HydrophobicContact CD2-CE2 3.17Å; F254-Y333 HydrophobicContact CD2-CG 4.41Å; F254-Y333 AromaticContact CD2-CZ 3.89Å; F254-Y333 AromaticContact CE1-CE2 3.98Å; F254-Y333 HydrophobicContact CE1-CE2 3.98Å; F254-Y333 AromaticContact CE2-CD2 3.99Å; F254-Y333 HydrophobicContact CE2-CD2 3.99Å; F254-Y333 AromaticContact CE2-CE2 3.42Å; F254-Y333 HydrophobicContact CE2-CE2 3.42Å; F254-Y333 VanDerWaalsContact CE2-CE2 3.42Å; F254-Y333 AromaticContact CG-CD2 3.93Å; F254-Y333 HydrophobicContact CG-CD2 3.93Å; F254-Y333 HydrophobicContact CG-CE1 4.27Å; F254-Y333 AromaticContact CG-CE2 3.39Å; F254-Y333 HydrophobicContact CG-CE2 3.39Å; F254-Y333 AromaticContact CG-CZ 3.58Å; F254-Y333 AromaticContact CZ-CE2 3.82Å; F254-Y333 HydrophobicContact CZ-CE2 3.82Å; F254-Y333 PolarHBondContact N-O 3.41Å
334	M	93.2	Very high	90.2	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135	173.1	62.3	-177.6	-164.6	0	0	110.4	V224 I225 L227 L239 T252 I253 F336 I342 V345	V224-M334 CarbonylContact C-O 3.53Å; V224-M334 VanDerWaalsContact CA-O 3.29Å; V224-M334 WeakPolarHBondContact CA-O 3.43Å; I225-M334 HydrophobicContact CB-CE 3.6Å; I225-M334 HydrophobicContact CB-CG 3.8Å; I225-M334 HydrophobicContact CD1-CE 3.2Å; I225-M334 HydrophobicContact CG1-CE 3.88Å; I225-M334 HydrophobicContact CG2-CE 3.84Å; I225-M334 HydrophobicContact CG2-CG 4.41Å; I225-M334 PolarHBondContact N-O 2.85Å; I225-M334 PolarHBondContact O-N 3.44Å; L227-M334 HydrophobicContact CD1-CB 4.25Å; L227-M334 HydrophobicContact CD1-CG 4.37Å; L227-M334 HydrophobicContact CD2-SD 4.39Å; L227-M334 HydrophobicContact CG-CG 4.46Å; L239-M334 HydrophobicContact CD2-SD 4.08Å; T252-M334 CarbonylContact O-C 3.49Å; T252-M334 WeakPolarHBondContact O-CA 3.33Å; I253-M334 HydrophobicContact CG1-CB 4.25Å; M334-F336 HydrophobicContact CE-CE2 3.82Å; M334-F336 HydrophobicContact CE-CZ 3.68Å; M334-F336 HydrophobicContact CG-CE2 3.88Å; M334-F336 HydrophobicContact CG-CZ 4.08Å; M334-F336 HydrophobicContact SD-CE2 4.17Å; M334-F336 HydrophobicContact SD-CZ 3.83Å; M334-I342 HydrophobicContact CE-CD1 3.46Å; M334-I342 VanDerWaalsContact CE-CD1 3.46Å; M334-I342 HydrophobicContact SD-CD1 4.36Å; M334-V345 HydrophobicContact CE-CB 4.27Å; M334-V345 HydrophobicContact CE-CG1 3.56Å; M334-V345 HydrophobicContact CE-CG2 3.68Å; M334-V345 HydrophobicContact SD-CG1 4.25Å
335	S	92.5	Very high	90.8	Very high	4 Å²	4	27.8 Å²	27.8	3%	0.028	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150.8	178.1	69	0	0	0	0	111.3	P223 F251 T252	P223-S335 VanDerWaalsContact O-CA 3.31Å; P223-S335 WeakPolarHBondContact O-CA 3.25Å; F251-S335 CarbonylContact C-O 3.55Å; F251-S335 WeakPolarHBondContact CA-O 3.4Å; F251-S335 VanDerWaalsContact CB-O 3.28Å; F251-S335 WeakPolarHBondContact CB-O 3.18Å; T252-S335 PolarHBondContact N-O 2.84Å; T252-S335 PolarHBondContact O-N 3.39Å
336	F	90.8	Very high	91.1	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.8	-178.5	-60.8	-90	0	0	0	111.2	W210 F212 P223 I225 L243 V249 F251 M334 I342	W210-F336 HydrophobicContact CH2-CD2 4.43Å; W210-F336 AromaticContact CZ3-CD2 3.86Å; W210-F336 HydrophobicContact CZ3-CD2 3.86Å; W210-F336 HydrophobicContact CZ3-CE2 4.01Å; F212-F336 HydrophobicContact CD1-CB 4.36Å; F212-F336 HydrophobicContact CD1-CG 4.25Å; F212-F336 HydrophobicContact CD2-CB 3.75Å; F212-F336 HydrophobicContact CD2-CG 4.46Å; F212-F336 HydrophobicContact CE1-CB 4.19Å; F212-F336 AromaticContact CE1-CD1 3.84Å; F212-F336 HydrophobicContact CE1-CD1 3.84Å; F212-F336 HydrophobicContact CE1-CD2 4.44Å; F212-F336 HydrophobicContact CE1-CE1 4.41Å; F212-F336 AromaticContact CE1-CG 3.88Å; F212-F336 HydrophobicContact CE1-CG 3.88Å; F212-F336 HydrophobicContact CE2-CB 3.57Å; F212-F336 HydrophobicContact CE2-CD1 4.24Å; F212-F336 HydrophobicContact CE2-CG 4.12Å; F212-F336 HydrophobicContact CG-CB 4.16Å; F212-F336 HydrophobicContact CZ-CB 3.81Å; F212-F336 AromaticContact CZ-CD1 3.61Å; F212-F336 HydrophobicContact CZ-CD1 3.61Å; F212-F336 HydrophobicContact CZ-CE1 4.47Å; F212-F336 AromaticContact CZ-CG 3.81Å; F212-F336 HydrophobicContact CZ-CG 3.81Å; P223-F336 PolarHBondContact O-N 3.44Å; P223-F336 VanDerWaalsContact O-N 3.07Å; I225-F336 HydrophobicContact CD1-CE2 4.4Å; L243-F336 HydrophobicContact CD1-CE1 4.41Å; V249-F336 HydrophobicContact CG1-CD1 4.43Å; F251-F336 HydrophobicContact CB-CD1 3.58Å; F251-F336 HydrophobicContact CB-CE1 3.71Å; F251-F336 HydrophobicContact CB-CG 4.34Å; F251-F336 HydrophobicContact CG-CD1 4.45Å; F251-F336 HydrophobicContact CG-CE1 4.19Å; M334-F336 HydrophobicContact CE-CE2 3.82Å; M334-F336 HydrophobicContact CE-CZ 3.68Å; M334-F336 HydrophobicContact CG-CE2 3.88Å; M334-F336 HydrophobicContact CG-CZ 4.08Å; M334-F336 HydrophobicContact SD-CE2 4.17Å; M334-F336 HydrophobicContact SD-CZ 3.83Å; F336-I342 HydrophobicContact CE1-CD1 3.85Å; F336-I342 HydrophobicContact CE2-CD1 4.24Å; F336-I342 HydrophobicContact CZ-CD1 3.34Å
337	D	89.6	Confident	91.5	Very high	63 Å²	63	23.7 Å²	23.7	34%	0.337	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	125.4	173.2	-176.8	33.3	0	0	0	109.3	T214 V249 N250	T214-D337 PolarHBondContact OG1-OD1 3.47Å; V249-D337 CarbonylContact C-O 3.5Å; V249-D337 WeakPolarHBondContact CA-O 3.27Å; N250-D337 HydrophobicContact CB-CB 4.4Å; N250-D337 PolarHBondContact N-O 2.78Å; N250-D337 PolarHBondContact O-N 2.87Å
338	G	88.6	Confident	91.7	Very high	8 Å²	8	20.9 Å²	20.9	8%	0.082	11%	0.111	C	C	.	.	S	Bend	trans	115.3	-162.6	-170.1	0	0	0	0	0	112	S213 T214	S213-G338 WeakPolarHBondContact CA-O 3.3Å; T214-G338 PolarHBondContact N-O 3.33Å; T214-G338 VanDerWaalsContact N-O 3.1Å; T214-G338 PolarHBondContact OG1-N 2.92Å; T214-G338 PolarHBondContact OG1-O 2.95Å
339	Q	89.1	Confident	91.8	Very high	69 Å²	69	20.6 Å²	20.6	32%	0.322	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.2	178.7	-177.2	170.1	-37.6	0	0	111.1	F212 S213 L215 D246 S247 V249	F212-Q339 WeakPolarHBondContact O-CA 3.07Å; S213-Q339 PolarHBondContact OG-OE1 3.15Å; L215-Q339 HydrophobicContact CD1-CB 4.17Å; D246-Q339 VanDerWaalsContact OD1-CB 3.29Å; D246-Q339 WeakPolarHBondContact OD1-CB 3.29Å; D246-Q339 WeakPolarHBondContact OD1-CG 3.48Å; D246-Q339 VanDerWaalsContact OD2-CG 3.27Å; D246-Q339 WeakPolarHBondContact OD2-CG 3.4Å; D246-Q339 PolarHBondContact OD2-NE2 3.29Å; S247-Q339 PolarHBondContact OG-N 3.06Å; V249-Q339 WeakPolarHBondContact CG2-O 3.47Å
340	G	91.1	Very high	91.8	Very high	6 Å²	6	23.9 Å²	23.9	6%	0.062	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.8	-178.8	-178.8	0	0	0	0	0	113.4	C211 F212 L244	C211-G340 CarbonylContact C-O 3.58Å; C211-G340 WeakPolarHBondContact CA-O 3.49Å; F212-G340 WeakPolarHBondContact CD1-O 3.22Å; F212-G340 PolarHBondContact N-O 3.23Å; F212-G340 PolarHBondContact O-N 3.29Å; F212-G340 VanDerWaalsContact O-N 3.08Å; L244-G340 CarbonylContact O-C 3.5Å; L244-G340 WeakPolarHBondContact O-CA 3.48Å
341	C	92	Very high	91.8	Very high	20 Å²	20	21.6 Å²	21.6	14%	0.135	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.5	176.5	-52.7	0	0	0	0	110.5	W210 C211 L243 L244 W296	W210-C341 CarbonylContact O-C 3.52Å; W210-C341 WeakPolarHBondContact O-CA 3.47Å; C211-C341 HydrophobicContact CB-CB 4.08Å; C211-C341 WeakPolarHBondContact CB-SG 3.33Å; C211-C341 WeakPolarHBondContact SG-CB 3.38Å; C211-C341 CovalentContact SG-SG 2.05Å; C211-C341 PolarHBondContact SG-SG 3.36Å; L243-C341 CarbonylContact C-O 3.52Å; L243-C341 WeakPolarHBondContact CA-O 3.48Å; L244-C341 HydrophobicContact CB-CB 4.36Å; L244-C341 PolarHBondContact N-O 3.39Å; L244-C341 PolarHBondContact O-N 3.18Å; W296-C341 HydrophobicContact CH2-CB 3.76Å; W296-C341 HydrophobicContact CZ2-CB 4.31Å; W296-C341 VanDerWaalsContact CZ3-O 3.28Å; W296-C341 WeakPolarHBondContact CZ3-O 3.36Å
342	I	91.7	Very high	91.8	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.015	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.1	178.9	-175.7	168.2	0	0	0	110.5	A209 W210 F212 I225 F241 S242 L243 M334 F336 V345	A209-I342 WeakPolarHBondContact CA-O 3.37Å; W210-I342 HydrophobicContact CB-CG2 4.37Å; W210-I342 HydrophobicContact CD2-CG2 4.46Å; W210-I342 HydrophobicContact CE3-CG2 3.49Å; W210-I342 VanDerWaalsContact CE3-CG2 3.49Å; W210-I342 HydrophobicContact CZ3-CG2 4.19Å; W210-I342 PolarHBondContact N-O 3.35Å; W210-I342 PolarHBondContact O-N 3Å; F212-I342 HydrophobicContact CD1-CG2 4.46Å; F212-I342 HydrophobicContact CE1-CB 4.44Å; F212-I342 HydrophobicContact CE1-CG2 4.27Å; I225-I342 HydrophobicContact CD1-CG2 4.05Å; F241-I342 HydrophobicContact CB-CD1 3.93Å; F241-I342 HydrophobicContact CB-CG1 4.14Å; F241-I342 HydrophobicContact CD2-CD1 3.44Å; F241-I342 VanDerWaalsContact CD2-CD1 3.44Å; F241-I342 HydrophobicContact CD2-CG1 3.94Å; F241-I342 HydrophobicContact CE2-CD1 4.11Å; F241-I342 HydrophobicContact CG-CD1 3.81Å; F241-I342 HydrophobicContact CG-CG1 4.39Å; S242-I342 CarbonylContact O-C 3.16Å; S242-I342 VanDerWaalsContact O-CA 3.29Å; S242-I342 WeakPolarHBondContact O-CA 3.49Å; S242-I342 WeakPolarHBondContact O-CG1 3.26Å; L243-I342 HydrophobicContact CD1-CB 4.25Å; M334-I342 HydrophobicContact CE-CD1 3.46Å; M334-I342 VanDerWaalsContact CE-CD1 3.46Å; M334-I342 HydrophobicContact SD-CD1 4.36Å; F336-I342 HydrophobicContact CE1-CD1 3.85Å; F336-I342 HydrophobicContact CE2-CD1 4.24Å; F336-I342 HydrophobicContact CZ-CD1 3.34Å; I342-V345 HydrophobicContact CD1-CG2 3.72Å; I342-V345 HydrophobicContact CG1-CG2 3.7Å
343	C	92.4	Very high	91.9	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.02	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	172.9	175.4	72.9	0	0	0	0	111.1	A209 S242 W296 V345	A209-C343 HydrophobicContact CB-CB 4.26Å; S242-C343 PolarHBondContact N-O 3.48Å; S242-C343 PolarHBondContact O-N 3.01Å; W296-C343 HydrophobicContact CH2-CB 4.15Å; W296-C343 HydrophobicContact CZ3-CB 4.18Å; W296-C343 VanDerWaalsContact CZ3-SG 3.53Å; C343-V345 VanDerWaalsContact C-N 3.27Å; C343-V345 PolarHBondContact O-N 3.41Å
344	N	90.5	Very high	92.1	Very high	59 Å²	59	20.2 Å²	20.2	32%	0.316	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54	38.8	175	-60.9	-28.7	0	0	0	114.3	F241 T346	F241-N344 WeakPolarHBondContact CA-O 3.47Å; N344-T346 PolarHBondContact O-N 2.75Å
345	V	92.6	Very high	92.2	Very high	3 Å²	3	21 Å²	21	2%	0.018	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	117.6	179.7	-174	0	0	0	0	109.3	A194 F195 I225 L227 L239 R240 F241 M334 I342 C343	A194-V345 WeakPolarHBondContact CA-O 3.45Å; F195-V345 HydrophobicContact CB-CB 4.09Å; F195-V345 HydrophobicContact CB-CG1 4.05Å; F195-V345 HydrophobicContact CD2-CG1 4.03Å; F195-V345 HydrophobicContact CG-CG1 4.39Å; F195-V345 PolarHBondContact N-O 3.06Å; I225-V345 HydrophobicContact CD1-CG2 4.36Å; L227-V345 HydrophobicContact CD2-CG1 4.23Å; L239-V345 HydrophobicContact CD1-CG1 4.1Å; R240-V345 CarbonylContact O-C 3.56Å; R240-V345 WeakPolarHBondContact O-CA 3.31Å; F241-V345 HydrophobicContact CB-CB 4.38Å; F241-V345 HydrophobicContact CB-CG2 3.94Å; M334-V345 HydrophobicContact CE-CB 4.27Å; M334-V345 HydrophobicContact CE-CG1 3.56Å; M334-V345 HydrophobicContact CE-CG2 3.68Å; M334-V345 HydrophobicContact SD-CG1 4.25Å; I342-V345 HydrophobicContact CD1-CG2 3.72Å; I342-V345 HydrophobicContact CG1-CG2 3.7Å; C343-V345 VanDerWaalsContact C-N 3.27Å; C343-V345 PolarHBondContact O-N 3.41Å
346	T	92.7	Very high	92.4	Very high	20 Å²	20	20.9 Å²	20.9	12%	0.123	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	139.1	-179.6	57.6	0	0	0	0	111.4	A193 A194 R240 N344	A193-T346 CarbonylContact O-C 3.38Å; A193-T346 VanDerWaalsContact O-CA 3.26Å; A193-T346 WeakPolarHBondContact O-CA 3.18Å; A194-T346 HydrophobicContact CB-CG2 4.15Å; R240-T346 PolarHBondContact N-O 3.26Å; R240-T346 PolarHBondContact O-N 2.96Å; N344-T346 PolarHBondContact O-N 2.75Å
347	L	93.9	Very high	92.7	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.6	161.2	-76.9	177.3	0	0	0	109.5	K192 A193 F195 L227 L236 T238 L239 P331	K192-L347 WeakPolarHBondContact CA-O 3.19Å; A193-L347 HydrophobicContact CB-CB 4.38Å; A193-L347 PolarHBondContact N-O 2.86Å; A193-L347 PolarHBondContact O-N 2.8Å; F195-L347 HydrophobicContact CE2-CB 4.03Å; F195-L347 HydrophobicContact CE2-CD1 3.94Å; F195-L347 HydrophobicContact CE2-CG 3.81Å; F195-L347 HydrophobicContact CZ-CD1 3.91Å; F195-L347 HydrophobicContact CZ-CG 4.3Å; L227-L347 HydrophobicContact CB-CD1 4.1Å; L236-L347 HydrophobicContact CB-CB 4.12Å; L236-L347 HydrophobicContact CD1-CB 4.43Å; T238-L347 WeakPolarHBondContact O-CA 3.36Å; L239-L347 HydrophobicContact CB-CD2 3.95Å; L239-L347 HydrophobicContact CD1-CD2 3.74Å; L239-L347 HydrophobicContact CD1-CG 4.14Å; L239-L347 HydrophobicContact CG-CD2 4.46Å; P331-L347 HydrophobicContact CB-CD1 4.09Å; P331-L347 HydrophobicContact CB-CD2 4.3Å; P331-L347 HydrophobicContact CG-CD1 4.15Å; P331-L347 HydrophobicContact CG-CD2 4.05Å
348	Q	92.5	Very high	93.1	Very high	5 Å²	5	21.2 Å²	21.2	2%	0.023	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	164	-179	55.3	-170.2	51.7	0	0	109.6	K192 V237 T238 H350 A351	K192-Q348 HydrophobicContact CG-CB 4.06Å; V237-Q348 PolarHBondContact N-O 3.31Å; T238-Q348 WeakPolarHBondContact CA-O 3.36Å; T238-Q348 VanDerWaalsContact CB-O 3.3Å; T238-Q348 WeakPolarHBondContact CB-O 3.44Å; T238-Q348 HydrophobicContact CG2-CG 4.38Å; T238-Q348 PolarHBondContact N-O 2.84Å; T238-Q348 PolarHBondContact O-N 3.13Å; Q348-H350 VanDerWaalsContact CG-O 3.31Å; Q348-H350 WeakPolarHBondContact CG-O 3.46Å; Q348-H350 PolarHBondContact NE2-O 3.02Å; Q348-A351 VanDerWaalsContact NE2-CB 3.28Å
349	P	91.3	Very high	93.5	Very high	9 Å²	9	20.9 Å²	20.9	6%	0.058	11%	0.109	C	C	.	.	S	Bend	trans	-64	-47.7	-179.7	-19.1	31.3	0	0	0	110.6	E191 D235 L236 T238	E191-P349 HydrophobicContact CB-CG 4.27Å; E191-P349 WeakPolarHBondContact O-CD 3.39Å; D235-P349 WeakPolarHBondContact O-CA 3.43Å; L236-P349 VanDerWaalsContact CD2-CD 3.49Å; L236-P349 HydrophobicContact CD2-CG 3.6Å; T238-P349 PolarHBondContact OG1-O 2.69Å
350	H	91.5	Very high	94	Very high	69 Å²	69	17.6 Å²	17.6	32%	0.319	9%	0.093	S	C	.	.			trans	-144.8	165.2	-175.7	-51.2	-52	0	0	0	110.7	T238 Q348 H352	T238-H350 WeakPolarHBondContact OG1-CA 3.45Å; Q348-H350 VanDerWaalsContact CG-O 3.31Å; Q348-H350 WeakPolarHBondContact CG-O 3.46Å; Q348-H350 PolarHBondContact NE2-O 3.02Å; H350-H352 VanDerWaalsContact CB-NE2 3.29Å; H350-H352 WeakPolarHBondContact CB-NE2 3.44Å; H350-H352 AromaticContact CD2-NE2 3.51Å; H350-H352 AromaticContact CG-CE1 3.86Å; H350-H352 AromaticContact CG-NE2 3.48Å
351	A	93.3	Very high	94.3	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.008	11%	0.109	C	C	.	.			trans	-133.1	66.2	174.7	0	0	0	0	0	109.8	E188 T238 T300 Q348 D354 N355	E188-A351 VanDerWaalsContact OE1-CA 3.25Å; E188-A351 WeakPolarHBondContact OE1-CA 3.29Å; T238-A351 HydrophobicContact CG2-CB 3.68Å; T300-A351 HydrophobicContact CG2-CB 3.24Å; Q348-A351 VanDerWaalsContact NE2-CB 3.28Å; A351-D354 HydrophobicContact CB-CB 4.13Å; A351-N355 PolarHBondContact O-N 3.23Å; A351-N355 VanDerWaalsContact O-N 3.15Å
352	H	95	Very high	94.6	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.009	11%	0.105	C	C	.	.	H	α-helix	trans	-68.5	-45.5	-166.5	-69.1	-61.8	0	0	0	112.3	H177 E188 H350 D354 N355 F356	H177-H352 HydrophobicContact CB-CB 4.42Å; H177-H352 WeakPolarHBondContact CB-O 3.48Å; H177-H352 AromaticContact CE1-ND1 3.65Å; H177-H352 AromaticContact CG-ND1 3.91Å; H177-H352 AromaticContact ND1-CE1 3.91Å; H177-H352 AromaticContact ND1-CG 3.77Å; H177-H352 AromaticContact ND1-ND1 2.94Å; H177-H352 PolarHBondContact ND1-ND1 2.74Å; H177-H352 WeakPolarHBondContact O-CB 3.49Å; E188-H352 PolarHBondContact OE1-N 2.92Å; E188-H352 IonicContact OE2-CD2 3.02Å; H350-H352 VanDerWaalsContact CB-NE2 3.29Å; H350-H352 WeakPolarHBondContact CB-NE2 3.44Å; H350-H352 AromaticContact CD2-NE2 3.51Å; H350-H352 AromaticContact CG-CE1 3.86Å; H350-H352 AromaticContact CG-NE2 3.48Å; H352-D354 PolarHBondContact O-N 2.78Å; H352-N355 PolarHBondContact O-N 2.94Å; H352-F356 WeakPolarHBondContact O-CB 3.47Å; H352-F356 PolarHBondContact O-N 2.88Å
353	L	94.7	Very high	94.9	Very high	44 Å²	44	20.4 Å²	20.4	23%	0.23	11%	0.105	C	C	.	.	H	α-helix	trans	-67.7	-36.6	179.6	-71.2	177.8	0	0	0	112.7	F185 F356 F357 L411	F185-L353 HydrophobicContact CD2-CD1 4.36Å; F185-L353 HydrophobicContact CE2-CD1 3.96Å; L353-F356 PolarHBondContact O-N 3.33Å; L353-F357 WeakPolarHBondContact O-CD2 3.13Å; L353-F357 PolarHBondContact O-N 3.03Å; L353-L411 HydrophobicContact CD2-CD1 4.36Å
354	D	94.5	Very high	95.2	Very high	33 Å²	33	21.9 Å²	21.9	18%	0.176	11%	0.113	C	C	.	.	H	α-helix	trans	-58.9	-52.8	175	-79.2	-0.2	0	0	0	110.5	R240 R298 T300 A351 H352 F356 F357 D358	R240-D354 WeakPolarHBondContact CD-OD2 3.32Å; R240-D354 IonicContact CZ-OD2 2.7Å; R240-D354 IonicContact NE-OD1 2.7Å; R240-D354 IonicContact NE-OD2 3.69Å; R240-D354 PolarHBondContact NE-OD2 3.45Å; R298-D354 IonicContact NH1-OD2 2.61Å; T300-D354 HydrophobicContact CG2-CB 4.3Å; T300-D354 PolarHBondContact OG1-OD2 3.09Å; A351-D354 HydrophobicContact CB-CB 4.13Å; H352-D354 PolarHBondContact O-N 2.78Å; D354-F356 VanDerWaalsContact C-N 3.32Å; D354-F356 PolarHBondContact O-N 3Å; D354-F357 PolarHBondContact O-N 2.85Å; D354-D358 WeakPolarHBondContact O-CB 3.23Å; D354-D358 VanDerWaalsContact O-CG 3.31Å; D354-D358 PolarHBondContact O-N 3.48Å
355	N	95.8	Very high	95.5	Very high	18 Å²	18	26.5 Å²	26.5	10%	0.096	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-35.1	-179.4	-71.7	-7.6	0	0	0	112.6	F173 H177 A351 H352 T359	F173-N355 HydrophobicContact CE1-CB 3.72Å; F173-N355 HydrophobicContact CZ-CB 3.78Å; H177-N355 HydrophobicContact CB-CB 4.2Å; H177-N355 PolarHBondContact CE1-ND2 3.16Å; H177-N355 PolarHBondContact NE2-ND2 2.85Å; H177-N355 VanDerWaalsContact NE2-ND2 3.16Å; A351-N355 PolarHBondContact O-N 3.23Å; A351-N355 VanDerWaalsContact O-N 3.15Å; H352-N355 PolarHBondContact O-N 2.94Å; N355-T359 PolarHBondContact O-N 3.26Å; N355-T359 VanDerWaalsContact O-N 3.08Å; N355-T359 PolarHBondContact O-OG1 2.93Å
356	F	97.3	Very high	95.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-49.1	173.1	170.4	-110.2	0	0	0	111.7	G174 H177 Y178 H352 L353 D354 D358 T359 A360 V404 R407 A408 L411	G174-F356 WeakPolarHBondContact O-CD2 3.45Å; H177-F356 HydrophobicContact CB-CB 4.35Å; Y178-F356 HydrophobicContact CD2-CD1 4.16Å; Y178-F356 HydrophobicContact CD2-CD2 4.12Å; Y178-F356 AromaticContact CD2-CE1 3.85Å; Y178-F356 HydrophobicContact CD2-CE1 3.85Å; Y178-F356 AromaticContact CD2-CE2 3.76Å; Y178-F356 HydrophobicContact CD2-CE2 3.76Å; Y178-F356 HydrophobicContact CD2-CG 4.27Å; Y178-F356 AromaticContact CD2-CZ 3.62Å; Y178-F356 HydrophobicContact CD2-CZ 3.62Å; Y178-F356 HydrophobicContact CE2-CE1 4.44Å; Y178-F356 HydrophobicContact CE2-CZ 4.26Å; Y178-F356 HydrophobicContact CG-CD2 4.32Å; Y178-F356 HydrophobicContact CG-CE2 4.1Å; Y178-F356 HydrophobicContact CG-CZ 4.4Å; H352-F356 WeakPolarHBondContact O-CB 3.47Å; H352-F356 PolarHBondContact O-N 2.88Å; L353-F356 PolarHBondContact O-N 3.33Å; D354-F356 VanDerWaalsContact C-N 3.32Å; D354-F356 PolarHBondContact O-N 3Å; F356-D358 VanDerWaalsContact C-N 3.35Å; F356-T359 WeakPolarHBondContact O-CB 3.49Å; F356-T359 PolarHBondContact O-N 2.89Å; F356-A360 PolarHBondContact O-N 3.27Å; F356-V404 HydrophobicContact CD2-CG1 4.39Å; F356-V404 HydrophobicContact CE2-CG1 3.81Å; F356-V404 HydrophobicContact CZ-CG1 4.5Å; F356-R407 HydrophobicContact CE2-CB 4.23Å; F356-R407 HydrophobicContact CZ-CB 3.75Å; F356-A408 HydrophobicContact CE1-CB 4.02Å; F356-A408 HydrophobicContact CZ-CB 3.87Å; F356-L411 HydrophobicContact CD1-CD1 4.38Å; F356-L411 HydrophobicContact CE1-CD1 3.89Å
357	F	97.1	Very high	96.1	Very high	50 Å²	50	30 Å²	30	22%	0.219	15%	0.145	C	C	.	.	H	α-helix	trans	-69.3	-32.8	179.7	-78.9	-59.1	0	0	0	112.7	L353 D354 T359 A360 N361 A408 L411 T412	L353-F357 WeakPolarHBondContact O-CD2 3.13Å; L353-F357 PolarHBondContact O-N 3.03Å; D354-F357 PolarHBondContact O-N 2.85Å; F357-T359 VanDerWaalsContact C-N 3.28Å; F357-T359 PolarHBondContact O-N 3.21Å; F357-A360 PolarHBondContact O-N 3.06Å; F357-N361 VanDerWaalsContact O-CB 3.24Å; F357-N361 WeakPolarHBondContact O-CB 3.46Å; F357-N361 PolarHBondContact O-N 3.46Å; F357-N361 PolarHBondContact O-ND2 3.1Å; F357-A408 HydrophobicContact CE1-CB 4.44Å; F357-L411 HydrophobicContact CZ-CB 4.36Å; F357-L411 HydrophobicContact CZ-CD1 4.16Å; F357-T412 HydrophobicContact CD1-CG2 4.49Å; F357-T412 HydrophobicContact CE1-CG2 3.37Å; F357-T412 HydrophobicContact CZ-CG2 3.51Å
358	D	96.7	Very high	96.3	Very high	22 Å²	22	31.8 Å²	31.8	12%	0.118	16%	0.155	C	C	.	.	H	α-helix	trans	-59.6	-42.6	170.4	-75.4	-12.6	0	0	0	111.2	V153 R298 D354 F356 W362	V153-D358 HydrophobicContact CG1-CB 4.44Å; R298-D358 IonicContact CZ-OD1 2.97Å; R298-D358 IonicContact CZ-OD2 2.99Å; R298-D358 IonicContact NH1-OD2 3.56Å; R298-D358 PolarHBondContact NH1-OD2 3.48Å; R298-D358 IonicContact NH2-OD1 3.27Å; R298-D358 PolarHBondContact NH2-OD1 3.27Å; R298-D358 IonicContact NH2-OD2 3.49Å; R298-D358 PolarHBondContact NH2-OD2 3.46Å; D354-D358 WeakPolarHBondContact O-CB 3.23Å; D354-D358 VanDerWaalsContact O-CG 3.31Å; D354-D358 PolarHBondContact O-N 3.48Å; F356-D358 VanDerWaalsContact C-N 3.35Å; D358-W362 WeakPolarHBondContact O-CB 3.33Å; D358-W362 PolarHBondContact O-N 3.02Å
359	T	98.3	Very high	96.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-50.6	173.4	-54.4	0	0	0	0	111.8	V170 F173 N355 F356 F357 N361 W362 L363 V404	V170-T359 HydrophobicContact CG1-CG2 3.85Å; V170-T359 WeakPolarHBondContact O-CG2 3.38Å; F173-T359 WeakPolarHBondContact CD1-OG1 3.39Å; N355-T359 PolarHBondContact O-N 3.26Å; N355-T359 VanDerWaalsContact O-N 3.08Å; N355-T359 PolarHBondContact O-OG1 2.93Å; F356-T359 WeakPolarHBondContact O-CB 3.49Å; F356-T359 PolarHBondContact O-N 2.89Å; F357-T359 VanDerWaalsContact C-N 3.28Å; F357-T359 PolarHBondContact O-N 3.21Å; T359-N361 PolarHBondContact O-N 2.88Å; T359-W362 WeakPolarHBondContact O-CB 3.31Å; T359-W362 PolarHBondContact O-N 3.37Å; T359-L363 HydrophobicContact CG2-CD1 4.15Å; T359-L363 VanDerWaalsContact O-CG 3.31Å; T359-L363 WeakPolarHBondContact O-CG 3.25Å; T359-L363 PolarHBondContact O-N 3.12Å; T359-V404 HydrophobicContact CG2-CG1 4.17Å
360	A	98.6	Very high	96.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-42.9	-178.8	0	0	0	0	0	112.1	F356 F357 L363 V364 V404 A408 Y417	F356-A360 PolarHBondContact O-N 3.27Å; F357-A360 PolarHBondContact O-N 3.06Å; A360-L363 PolarHBondContact O-N 3.29Å; A360-V364 WeakPolarHBondContact O-CG2 2.93Å; A360-V364 PolarHBondContact O-N 2.75Å; A360-V404 HydrophobicContact CB-CG1 4.03Å; A360-A408 HydrophobicContact CB-CB 3.68Å; A360-Y417 HydrophobicContact CB-CD1 4.17Å; A360-Y417 HydrophobicContact CB-CE1 3.83Å
361	N	98	Very high	97.1	Very high	74 Å²	74	38.7 Å²	38.7	40%	0.396	20%	0.198	S	C	.	.	H	α-helix	trans	-67.5	-38.6	177.3	-67.9	-27.7	0	0	0	111.6	F357 T359 V364 K365 Y417	F357-N361 VanDerWaalsContact O-CB 3.24Å; F357-N361 WeakPolarHBondContact O-CB 3.46Å; F357-N361 PolarHBondContact O-N 3.46Å; F357-N361 PolarHBondContact O-ND2 3.1Å; T359-N361 PolarHBondContact O-N 2.88Å; N361-V364 PolarHBondContact O-N 3.48Å; N361-K365 WeakPolarHBondContact O-CB 3.19Å; N361-K365 PolarHBondContact O-N 3.49Å; N361-Y417 WeakPolarHBondContact OD1-CE1 3.4Å; N361-Y417 PolarHBondContact OD1-OH 3.05Å
362	W	97.9	Very high	97.3	Very high	14 Å²	14	38.6 Å²	38.6	5%	0.053	20%	0.197	C	C	.	.	H	α-helix	trans	-60	-47.2	173.4	-176.1	80.8	0	0	0	111.4	P151 V153 F165 V170 D358 T359 V364 K365 H366 W373	P151-W362 HydrophobicContact CG-CG 4.22Å; V153-W362 HydrophobicContact CG1-CB 3.8Å; V153-W362 HydrophobicContact CG1-CG 4.12Å; V153-W362 HydrophobicContact CG2-CB 4.39Å; V153-W362 HydrophobicContact CG2-CD2 4.15Å; V153-W362 HydrophobicContact CG2-CG 3.81Å; F165-W362 HydrophobicContact CB-CH2 3.98Å; F165-W362 HydrophobicContact CB-CZ2 3.48Å; F165-W362 VanDerWaalsContact CB-CZ2 3.48Å; F165-W362 HydrophobicContact CD1-CZ2 4.29Å; F165-W362 HydrophobicContact CD2-CZ2 4.34Å; F165-W362 AromaticContact CG-CZ2 3.79Å; F165-W362 HydrophobicContact CG-CZ2 3.79Å; V170-W362 HydrophobicContact CB-CE3 4.3Å; V170-W362 HydrophobicContact CB-CZ3 4.19Å; V170-W362 HydrophobicContact CG1-CD2 3.99Å; V170-W362 HydrophobicContact CG1-CE3 3.46Å; V170-W362 VanDerWaalsContact CG1-CE3 3.46Å; V170-W362 HydrophobicContact CG1-CZ3 3.84Å; V170-W362 HydrophobicContact CG2-CH2 4.44Å; V170-W362 HydrophobicContact CG2-CZ3 4.34Å; D358-W362 WeakPolarHBondContact O-CB 3.33Å; D358-W362 PolarHBondContact O-N 3.02Å; T359-W362 WeakPolarHBondContact O-CB 3.31Å; T359-W362 PolarHBondContact O-N 3.37Å; W362-V364 PolarHBondContact O-N 3.36Å; W362-K365 PolarHBondContact O-N 3.09Å; W362-H366 AromaticContact CD1-CE1 3.15Å; W362-H366 AromaticContact CD1-CG 3.98Å; W362-H366 AromaticContact CD1-ND1 3.15Å; W362-H366 AromaticContact CD1-NE2 3.97Å; W362-H366 HydrophobicContact CD2-CB 4.38Å; W362-H366 AromaticContact CD2-ND1 3.85Å; W362-H366 AromaticContact CE2-CG 3.73Å; W362-H366 AromaticContact CE2-ND1 3.66Å; W362-H366 AromaticContact CG-ND1 3.62Å; W362-H366 HydrophobicContact CH2-CB 4.33Å; W362-H366 HydrophobicContact CZ2-CB 4.04Å; W362-H366 AromaticContact NE1-CD2 3.84Å; W362-H366 AromaticContact NE1-CE1 3.25Å; W362-H366 PolarHBondContact NE1-CE1 3.04Å; W362-H366 VanDerWaalsContact NE1-CE1 3.25Å; W362-H366 AromaticContact NE1-CG 3.61Å; W362-H366 AromaticContact NE1-ND1 3.25Å; W362-H366 PolarHBondContact NE1-ND1 3.48Å; W362-H366 AromaticContact NE1-NE2 3.63Å; W362-H366 WeakPolarHBondContact O-CB 3.42Å; W362-H366 PolarHBondContact O-N 2.8Å; W362-H366 PolarHBondContact O-ND1 3.49Å; W362-W373 AromaticContact CZ3-CD1 3.97Å
363	L	98.8	Very high	97.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60	-45.9	178.9	-71.9	169.9	0	0	0	111.4	T359 A360 K365 Q367 W373 A401 V404 L405	T359-L363 HydrophobicContact CG2-CD1 4.15Å; T359-L363 VanDerWaalsContact O-CG 3.31Å; T359-L363 WeakPolarHBondContact O-CG 3.25Å; T359-L363 PolarHBondContact O-N 3.12Å; A360-L363 PolarHBondContact O-N 3.29Å; L363-K365 VanDerWaalsContact C-N 3.35Å; L363-K365 PolarHBondContact O-N 2.99Å; L363-Q367 WeakPolarHBondContact O-CB 3.49Å; L363-Q367 PolarHBondContact O-N 3.36Å; L363-W373 HydrophobicContact CB-CZ2 3.9Å; L363-W373 HydrophobicContact CD2-CD2 3.98Å; L363-W373 HydrophobicContact CD2-CG 4.34Å; L363-W373 HydrophobicContact CD2-CZ2 3.96Å; L363-W373 HydrophobicContact CG-CZ2 4.49Å; L363-W373 PolarHBondContact O-NE1 3.31Å; L363-A401 HydrophobicContact CD1-CB 4.07Å; L363-A401 HydrophobicContact CD2-CB 3.83Å; L363-V404 HydrophobicContact CD1-CB 3.79Å; L363-V404 HydrophobicContact CD1-CG1 3.67Å; L363-V404 HydrophobicContact CD1-CG2 4.32Å; L363-L405 HydrophobicContact CB-CD1 4.48Å; L363-L405 HydrophobicContact CB-CD2 4.07Å; L363-L405 HydrophobicContact CB-CG 4.39Å; L363-L405 HydrophobicContact CD1-CG 4.31Å
364	V	98.6	Very high	97.6	Very high	34 Å²	34	38.9 Å²	38.9	21%	0.206	20%	0.202	C	C	.	.	H	α-helix	trans	-59.2	-46.3	175.2	169.6	0	0	0	0	111.4	A360 N361 W362 L405 V416 Y417 A420	A360-V364 WeakPolarHBondContact O-CG2 2.93Å; A360-V364 PolarHBondContact O-N 2.75Å; N361-V364 PolarHBondContact O-N 3.48Å; W362-V364 PolarHBondContact O-N 3.36Å; V364-L405 HydrophobicContact CG2-CD2 3.74Å; V364-V416 HydrophobicContact CG1-CG2 3.56Å; V364-V416 HydrophobicContact CG2-CG2 4.44Å; V364-Y417 HydrophobicContact CG2-CD1 3.59Å; V364-Y417 HydrophobicContact CG2-CE1 4Å; V364-A420 HydrophobicContact CG2-CB 4.01Å
365	K	97.6	Very high	97.8	Very high	157 Å²	157	37.3 Å²	37.3	68%	0.683	19%	0.194	S	C	*	.	H	α-helix	trans	-72.1	-32.3	-173.8	-177.6	-179.2	175.2	-165.2	0	113.6	N361 W362 L363	N361-K365 WeakPolarHBondContact O-CB 3.19Å; N361-K365 PolarHBondContact O-N 3.49Å; W362-K365 PolarHBondContact O-N 3.09Å; L363-K365 VanDerWaalsContact C-N 3.35Å; L363-K365 PolarHBondContact O-N 2.99Å
366	H	97.5	Very high	97.9	Very high	73 Å²	73	40 Å²	40	34%	0.338	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	13	-173.4	-59.1	80.1	0	0	0	113.1	W362 W373	W362-H366 AromaticContact CD1-CE1 3.15Å; W362-H366 AromaticContact CD1-CG 3.98Å; W362-H366 AromaticContact CD1-ND1 3.15Å; W362-H366 AromaticContact CD1-NE2 3.97Å; W362-H366 HydrophobicContact CD2-CB 4.38Å; W362-H366 AromaticContact CD2-ND1 3.85Å; W362-H366 AromaticContact CE2-CG 3.73Å; W362-H366 AromaticContact CE2-ND1 3.66Å; W362-H366 AromaticContact CG-ND1 3.62Å; W362-H366 HydrophobicContact CH2-CB 4.33Å; W362-H366 HydrophobicContact CZ2-CB 4.04Å; W362-H366 AromaticContact NE1-CD2 3.84Å; W362-H366 AromaticContact NE1-CE1 3.25Å; W362-H366 PolarHBondContact NE1-CE1 3.04Å; W362-H366 VanDerWaalsContact NE1-CE1 3.25Å; W362-H366 AromaticContact NE1-CG 3.61Å; W362-H366 AromaticContact NE1-ND1 3.25Å; W362-H366 PolarHBondContact NE1-ND1 3.48Å; W362-H366 AromaticContact NE1-NE2 3.63Å; W362-H366 WeakPolarHBondContact O-CB 3.42Å; W362-H366 PolarHBondContact O-N 2.8Å; W362-H366 PolarHBondContact O-ND1 3.49Å; H366-W373 VanDerWaalsContact O-CD1 3.28Å
367	Q	98.5	Very high	97.9	Very high	23 Å²	23	40.7 Å²	40.7	11%	0.107	22%	0.216	C	C	.	.			trans	-74.5	131.3	168.5	-171.4	178.3	49.9	0	0	109.3	L363 G371 G372 W373 A420 R423	L363-Q367 WeakPolarHBondContact O-CB 3.49Å; L363-Q367 PolarHBondContact O-N 3.36Å; Q367-G371 VanDerWaalsContact CG-C 3.45Å; Q367-G371 WeakPolarHBondContact CG-O 3.36Å; Q367-G371 PolarHBondContact NE2-O 3.01Å; Q367-G372 WeakPolarHBondContact CA-O 3.47Å; Q367-W373 HydrophobicContact CB-CZ2 4.09Å; Q367-W373 HydrophobicContact CG-CZ2 4.15Å; Q367-A420 PolarHBondContact NE2-O 3.16Å; Q367-R423 VanDerWaalsContact OE1-CZ 3.25Å
368	D	98.1	Very high	97.8	Very high	40 Å²	40	43 Å²	43	21%	0.214	23%	0.226	C	C	.	.			trans	-81	-180	176.6	67.7	23.5	0	0	0	113	F370 G371 G372 P374 Y393	D368-F370 PolarHBondContact O-N 2.89Å; D368-F370 WeakPolarHBondContact OD1-CA 3.42Å; D368-F370 WeakPolarHBondContact OD1-CB 3.08Å; D368-F370 PolarHBondContact OD1-N 2.93Å; D368-G371 PolarHBondContact O-N 2.75Å; D368-G371 PolarHBondContact OD1-N 3.32Å; D368-G372 PolarHBondContact N-O 2.89Å; D368-G372 PolarHBondContact OD1-N 2.86Å; D368-P374 WeakPolarHBondContact OD2-CD 3.08Å; D368-Y393 VanDerWaalsContact OD2-CE1 3.23Å; D368-Y393 WeakPolarHBondContact OD2-CE1 3.22Å; D368-Y393 VanDerWaalsContact OD2-CZ 3.26Å; D368-Y393 PolarHBondContact OD2-OH 3.29Å
369	S	97.5	Very high	97.7	Very high	115 Å²	115	43.3 Å²	43.3	80%	0.804	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.6	179.9	53.9	0	0	0	0	114.1	G371	S369-G371 VanDerWaalsContact C-N 3.28Å
370	F	97.2	Very high	97.5	Very high	111 Å²	111	46.9 Å²	46.9	49%	0.487	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-3.6	174.1	-61.4	-69.9	0	0	0	112.6	D368 Y393 I427	D368-F370 PolarHBondContact O-N 2.89Å; D368-F370 WeakPolarHBondContact OD1-CA 3.42Å; D368-F370 WeakPolarHBondContact OD1-CB 3.08Å; D368-F370 PolarHBondContact OD1-N 2.93Å; F370-Y393 WeakPolarHBondContact CD2-OH 3.2Å; F370-I427 WeakPolarHBondContact O-CG1 3.38Å
371	G	97.8	Very high	96.9	Very high	1 Å²	1	48 Å²	48	1%	0.01	25%	0.252	C	S	.	.	S	Bend	trans	89.2	7.4	179.9	0	0	0	0	0	114.1	Q367 D368 S369 Q398 A424	Q367-G371 VanDerWaalsContact CG-C 3.45Å; Q367-G371 WeakPolarHBondContact CG-O 3.36Å; Q367-G371 PolarHBondContact NE2-O 3.01Å; D368-G371 PolarHBondContact O-N 2.75Å; D368-G371 PolarHBondContact OD1-N 3.32Å; S369-G371 VanDerWaalsContact C-N 3.28Å; G371-Q398 PolarHBondContact O-NE2 3.46Å; G371-A424 WeakPolarHBondContact O-CA 3.25Å
372	G	98.2	Very high	96.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-107.2	177.3	-174.7	0	0	0	0	0	114.4	Q367 D368	Q367-G372 WeakPolarHBondContact CA-O 3.47Å; D368-G372 PolarHBondContact N-O 2.89Å; D368-G372 PolarHBondContact OD1-N 2.86Å
373	W	98.5	Very high	95.7	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.008	28%	0.279	C	S	.	.			trans	-117.8	97.6	165.1	-60	-84.4	0	0	0	108.4	P167 W362 L363 H366 Q367 A401 L405 A424	P167-W373 HydrophobicContact CB-CB 3.61Å; P167-W373 HydrophobicContact CB-CG 4.34Å; P167-W373 HydrophobicContact CG-CB 3.39Å; P167-W373 HydrophobicContact CG-CG 4.45Å; W362-W373 AromaticContact CZ3-CD1 3.97Å; L363-W373 HydrophobicContact CB-CZ2 3.9Å; L363-W373 HydrophobicContact CD2-CD2 3.98Å; L363-W373 HydrophobicContact CD2-CG 4.34Å; L363-W373 HydrophobicContact CD2-CZ2 3.96Å; L363-W373 HydrophobicContact CG-CZ2 4.49Å; L363-W373 PolarHBondContact O-NE1 3.31Å; H366-W373 VanDerWaalsContact O-CD1 3.28Å; Q367-W373 HydrophobicContact CB-CZ2 4.09Å; Q367-W373 HydrophobicContact CG-CZ2 4.15Å; W373-A401 HydrophobicContact CD2-CB 4.34Å; W373-A401 HydrophobicContact CE3-CB 3.65Å; W373-A401 HydrophobicContact CH2-CB 3.42Å; W373-A401 VanDerWaalsContact CH2-CB 3.42Å; W373-A401 HydrophobicContact CZ2-CB 4.11Å; W373-A401 HydrophobicContact CZ3-CB 3.16Å; W373-L405 HydrophobicContact CH2-CD1 3.81Å; W373-L405 HydrophobicContact CZ2-CD1 3.97Å; W373-A424 HydrophobicContact CH2-CB 3.73Å; W373-A424 HydrophobicContact CZ3-CB 3.68Å
374	P	98	Very high	95.1	Very high	50 Å²	50	56.5 Å²	56.5	33%	0.325	31%	0.311	S	S	.	.			trans	-69.9	135.9	-176	26.6	-31	0	0	0	110.4	D368 P376 Y393	D368-P374 WeakPolarHBondContact OD2-CD 3.08Å; P374-P376 WeakPolarHBondContact O-CD 3.2Å; P374-Y393 HydrophobicContact CB-CD1 4.4Å; P374-Y393 HydrophobicContact CB-CE1 3.89Å; P374-Y393 HydrophobicContact CG-CE1 4.36Å
375	V	98.2	Very high	94.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-81.9	120.5	178.7	-178	0	0	0	0	109.1	Y164 Y166 V377 G391 W392	Y164-V375 HydrophobicContact CE2-CG1 4.37Å; Y166-V375 HydrophobicContact CD2-CG1 4.03Å; Y166-V375 HydrophobicContact CD2-CG2 3.94Å; Y166-V375 HydrophobicContact CE2-CG1 4.26Å; Y166-V375 HydrophobicContact CE2-CG2 3.78Å; V375-V377 HydrophobicContact CG1-CG2 3.81Å; V375-V377 PolarHBondContact O-N 3.17Å; V375-V377 VanDerWaalsContact O-N 3.11Å; V375-G391 PolarHBondContact O-N 3.1Å; V375-W392 HydrophobicContact CB-CD2 3.85Å; V375-W392 HydrophobicContact CB-CE3 4.34Å; V375-W392 HydrophobicContact CB-CG 4.33Å; V375-W392 HydrophobicContact CB-CH2 4.21Å; V375-W392 HydrophobicContact CB-CZ2 3.71Å; V375-W392 HydrophobicContact CG1-CD2 4.48Å; V375-W392 HydrophobicContact CG1-CH2 4.16Å; V375-W392 HydrophobicContact CG1-CZ2 3.45Å; V375-W392 VanDerWaalsContact CG1-CZ2 3.45Å; V375-W392 HydrophobicContact CG2-CD2 4.03Å; V375-W392 HydrophobicContact CG2-CE3 4Å; V375-W392 HydrophobicContact CG2-CH2 3.82Å; V375-W392 HydrophobicContact CG2-CZ2 3.86Å; V375-W392 HydrophobicContact CG2-CZ3 3.91Å; V375-W392 WeakPolarHBondContact CG2-O 3.47Å; V375-W392 PolarHBondContact N-O 3.39Å
376	P	97	Very high	94.4	Very high	73 Å²	73	53 Å²	53	47%	0.474	30%	0.298	S	S	.	.			trans	-82.6	12.4	-168.6	34.6	-39.1	0	0	0	114.1	Y164 P374	Y164-P376 HydrophobicContact CD2-CG 4.04Å; Y164-P376 HydrophobicContact CG-CG 4.27Å; P374-P376 WeakPolarHBondContact O-CD 3.2Å
377	V	96.8	Very high	94.2	Very high	16 Å²	16	52.5 Å²	52.5	10%	0.097	30%	0.302	C	S	.	.	S	Bend	trans	-129.3	146.3	-175.2	-61.8	0	0	0	0	111.8	W159 Y164 V375 W392	W159-V377 HydrophobicContact CB-CG2 4.16Å; W159-V377 HydrophobicContact CE3-CG2 4.07Å; Y164-V377 HydrophobicContact CD1-CG1 3.61Å; Y164-V377 HydrophobicContact CD1-CG2 4.39Å; Y164-V377 HydrophobicContact CD2-CG1 3.93Å; Y164-V377 HydrophobicContact CD2-CG2 3.89Å; Y164-V377 HydrophobicContact CE1-CG1 4.02Å; Y164-V377 HydrophobicContact CE1-CG2 4.08Å; Y164-V377 HydrophobicContact CE2-CG1 4.27Å; Y164-V377 HydrophobicContact CE2-CG2 3.48Å; Y164-V377 VanDerWaalsContact CE2-CG2 3.48Å; Y164-V377 HydrophobicContact CG-CG1 3.61Å; Y164-V377 HydrophobicContact CG-CG2 4.36Å; V375-V377 HydrophobicContact CG1-CG2 3.81Å; V375-V377 PolarHBondContact O-N 3.17Å; V375-V377 VanDerWaalsContact O-N 3.11Å; V377-W392 PolarHBondContact O-NE1 2.98Å
378	K	96.4	Very high	94.1	Very high	98 Å²	98	52 Å²	52	43%	0.426	30%	0.3	S	S	.	.			trans	-66.2	145.8	173.2	179.6	164.6	-178.3	150.4	0	110.2	V380 L388 E389 P390	K378-V380 HydrophobicContact CG-CG1 4.46Å; K378-L388 CarbonylContact C-O 3.59Å; K378-L388 VanDerWaalsContact CA-O 3.26Å; K378-L388 WeakPolarHBondContact CA-O 3.32Å; K378-L388 WeakPolarHBondContact CG-O 3.35Å; K378-E389 VanDerWaalsContact CE-OE1 3.24Å; K378-E389 WeakPolarHBondContact CE-OE1 3.42Å; K378-E389 IonicContact NZ-OE1 2.74Å; K378-E389 PolarHBondContact NZ-OE1 3.49Å; K378-E389 IonicContact NZ-OE2 2.69Å; K378-P390 HydrophobicContact CB-CG 4.45Å
379	R	94.8	Very high	94	Very high	29 Å²	29	55.1 Å²	55.1	11%	0.109	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.7	171.1	-170	170.1	166.7	168.8	-15.8	111.1	W159 F381 S387 L388 W392 Y451	W159-R379 HydrophobicContact CG-CG 4.31Å; R379-F381 HydrophobicContact CB-CE2 3.89Å; R379-F381 HydrophobicContact CB-CZ 4Å; R379-F381 HydrophobicContact CG-CD1 4.48Å; R379-F381 HydrophobicContact CG-CD2 4.22Å; R379-F381 HydrophobicContact CG-CE1 3.92Å; R379-F381 HydrophobicContact CG-CE2 3.54Å; R379-F381 HydrophobicContact CG-CZ 3.37Å; R379-F381 VanDerWaalsContact NH2-CE1 3.3Å; R379-S387 CarbonylContact O-C 3.49Å; R379-S387 VanDerWaalsContact O-CA 3.27Å; R379-S387 WeakPolarHBondContact O-CA 3.31Å; R379-L388 HydrophobicContact CB-CB 4.47Å; R379-L388 PolarHBondContact N-O 3.01Å; R379-L388 PolarHBondContact O-N 3.43Å; R379-W392 HydrophobicContact CB-CZ2 4.26Å; R379-Y451 VanDerWaalsContact CZ-OH 3.28Å; R379-Y451 PolarHBondContact NH1-OH 3.2Å; R379-Y451 PolarHBondContact NH2-OH 3.45Å
380	V	92.7	Very high	94	Very high	75 Å²	75	53.1 Å²	53.1	46%	0.455	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.5	175.8	-64.1	0	0	0	0	110.2	K378 L386	K378-V380 HydrophobicContact CG-CG1 4.46Å; V380-L386 WeakPolarHBondContact CA-O 3.45Å
381	F	86	Confident	94	Very high	22 Å²	22	49.6 Å²	49.6	10%	0.096	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	171.1	-174	-43.2	-114	0	0	0	110.5	R379 S383 N384 L385 L386 L388 Y451 T453	R379-F381 HydrophobicContact CB-CE2 3.89Å; R379-F381 HydrophobicContact CB-CZ 4Å; R379-F381 HydrophobicContact CG-CD1 4.48Å; R379-F381 HydrophobicContact CG-CD2 4.22Å; R379-F381 HydrophobicContact CG-CE1 3.92Å; R379-F381 HydrophobicContact CG-CE2 3.54Å; R379-F381 HydrophobicContact CG-CZ 3.37Å; R379-F381 VanDerWaalsContact NH2-CE1 3.3Å; F381-S383 VanDerWaalsContact C-N 3.29Å; F381-S383 PolarHBondContact O-N 3.07Å; F381-N384 WeakPolarHBondContact O-CA 3.49Å; F381-N384 PolarHBondContact O-N 3.48Å; F381-L385 PolarHBondContact O-N 3.04Å; F381-L386 HydrophobicContact CB-CB 4.29Å; F381-L386 HydrophobicContact CD2-CB 4.25Å; F381-L386 PolarHBondContact N-O 2.93Å; F381-L386 PolarHBondContact O-N 2.99Å; F381-L388 HydrophobicContact CE2-CD1 3.98Å; F381-L388 HydrophobicContact CE2-CG 4.08Å; F381-L388 HydrophobicContact CZ-CD1 3.93Å; F381-Y451 AromaticContact CE1-CD1 3.97Å; F381-Y451 HydrophobicContact CE1-CD1 3.97Å; F381-Y451 AromaticContact CE1-CD2 3.51Å; F381-Y451 HydrophobicContact CE1-CD2 3.51Å; F381-Y451 HydrophobicContact CE1-CE2 4.06Å; F381-Y451 AromaticContact CE1-CG 3.45Å; F381-Y451 HydrophobicContact CE1-CG 3.45Å; F381-Y451 VanDerWaalsContact CE1-CG 3.45Å; F381-Y451 AromaticContact CZ-CD1 3.81Å; F381-Y451 HydrophobicContact CZ-CD1 3.81Å; F381-Y451 HydrophobicContact CZ-CD2 4.07Å; F381-Y451 AromaticContact CZ-CG 3.5Å; F381-Y451 HydrophobicContact CZ-CG 3.5Å; F381-Y451 VanDerWaalsContact CZ-CG 3.5Å; F381-T453 HydrophobicContact CD2-CG2 4.35Å; F381-T453 HydrophobicContact CE2-CG2 4.02Å
382	A	85.8	Confident	94	Very high	21 Å²	21	50.3 Å²	50.3	17%	0.174	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	49.1	50.2	169	0	0	0	0	0	111.9	N384 L385 L516	A382-N384 VanDerWaalsContact C-N 3.29Å; A382-N384 PolarHBondContact O-N 3.5Å; A382-L385 HydrophobicContact CB-CB 4.21Å; A382-L385 VanDerWaalsContact O-CB 3.32Å; A382-L385 WeakPolarHBondContact O-CB 3.29Å; A382-L385 WeakPolarHBondContact O-CD1 3.34Å; A382-L385 WeakPolarHBondContact O-CG 3.44Å; A382-L385 PolarHBondContact O-N 2.94Å; A382-L385 VanDerWaalsContact O-N 3.12Å; A382-L516 HydrophobicContact CB-CD1 3.77Å
383	S	85.1	Confident	94	Very high	120 Å²	120	51.1 Å²	51.1	84%	0.839	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	55	41.2	-177.1	-53.7	0	0	0	0	113.9	F381 L385	F381-S383 VanDerWaalsContact C-N 3.29Å; F381-S383 PolarHBondContact O-N 3.07Å; S383-L385 VanDerWaalsContact C-N 3.33Å; S383-L385 PolarHBondContact O-N 3.41Å
384	N	86.5	Confident	94	Very high	126 Å²	126	51 Å²	51	67%	0.674	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	72.8	10.5	-178.4	-52.5	-43.9	0	0	0	116.1	F381 A382 L386	F381-N384 WeakPolarHBondContact O-CA 3.49Å; F381-N384 PolarHBondContact O-N 3.48Å; A382-N384 VanDerWaalsContact C-N 3.29Å; A382-N384 PolarHBondContact O-N 3.5Å; N384-L386 VanDerWaalsContact C-N 3.27Å; N384-L386 PolarHBondContact O-N 3.32Å
385	L	88.5	Confident	94.1	Very high	113 Å²	113	48.6 Å²	48.6	59%	0.592	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-24	174.8	-65.6	174.3	0	0	0	113.2	F381 A382 S383 T518	F381-L385 PolarHBondContact O-N 3.04Å; A382-L385 HydrophobicContact CB-CB 4.21Å; A382-L385 VanDerWaalsContact O-CB 3.32Å; A382-L385 WeakPolarHBondContact O-CB 3.29Å; A382-L385 WeakPolarHBondContact O-CD1 3.34Å; A382-L385 WeakPolarHBondContact O-CG 3.44Å; A382-L385 PolarHBondContact O-N 2.94Å; A382-L385 VanDerWaalsContact O-N 3.12Å; S383-L385 VanDerWaalsContact C-N 3.33Å; S383-L385 PolarHBondContact O-N 3.41Å; L385-T518 HydrophobicContact CD1-CG2 4.3Å
386	L	92.6	Very high	94.1	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.3	178.6	-63.5	175.5	0	0	0	110	V380 F381 N384 T453 P455 T457 L516	V380-L386 WeakPolarHBondContact CA-O 3.45Å; F381-L386 HydrophobicContact CB-CB 4.29Å; F381-L386 HydrophobicContact CD2-CB 4.25Å; F381-L386 PolarHBondContact N-O 2.93Å; F381-L386 PolarHBondContact O-N 2.99Å; N384-L386 VanDerWaalsContact C-N 3.27Å; N384-L386 PolarHBondContact O-N 3.32Å; L386-T453 HydrophobicContact CB-CG2 4.08Å; L386-P455 HydrophobicContact CD2-CG 4.34Å; L386-T457 HydrophobicContact CD1-CG2 3.73Å; L386-L516 HydrophobicContact CD1-CD1 3.89Å; L386-L516 HydrophobicContact CD1-CD2 4.49Å; L386-L516 HydrophobicContact CD2-CD2 4.13Å; L386-L516 HydrophobicContact CG-CD1 4.17Å; L386-L516 HydrophobicContact CG-CD2 4.29Å
387	S	94.5	Very high	94.2	Very high	61 Å²	61	45.7 Å²	45.7	43%	0.427	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.2	175.7	60.3	0	0	0	0	112.3	R379	R379-S387 CarbonylContact O-C 3.49Å; R379-S387 VanDerWaalsContact O-CA 3.27Å; R379-S387 WeakPolarHBondContact O-CA 3.31Å
388	L	96.5	Very high	94.3	Very high	13 Å²	13	44.9 Å²	44.9	7%	0.068	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.5	167.8	-67.6	172.7	0	0	0	108.5	K378 R379 F381 W392 Y451 P452 T453	K378-L388 CarbonylContact C-O 3.59Å; K378-L388 VanDerWaalsContact CA-O 3.26Å; K378-L388 WeakPolarHBondContact CA-O 3.32Å; K378-L388 WeakPolarHBondContact CG-O 3.35Å; R379-L388 HydrophobicContact CB-CB 4.47Å; R379-L388 PolarHBondContact N-O 3.01Å; R379-L388 PolarHBondContact O-N 3.43Å; F381-L388 HydrophobicContact CE2-CD1 3.98Å; F381-L388 HydrophobicContact CE2-CG 4.08Å; F381-L388 HydrophobicContact CZ-CD1 3.93Å; L388-W392 HydrophobicContact CB-CB 4.26Å; L388-W392 HydrophobicContact CB-CD2 4.29Å; L388-W392 HydrophobicContact CB-CG 3.82Å; L388-W392 HydrophobicContact CD1-CB 4.36Å; L388-W392 HydrophobicContact CD1-CD2 3.67Å; L388-W392 HydrophobicContact CD1-CE3 3.82Å; L388-W392 HydrophobicContact CD1-CG 3.91Å; L388-W392 HydrophobicContact CD1-CZ3 4.37Å; L388-W392 HydrophobicContact CD2-CB 4.33Å; L388-W392 HydrophobicContact CG-CG 4.33Å; L388-Y451 HydrophobicContact CD1-CD1 4.48Å; L388-P452 HydrophobicContact CD2-CG 4.22Å; L388-P452 WeakPolarHBondContact CD2-O 3.39Å; L388-T453 HydrophobicContact CD1-CG2 4.16Å; L388-T453 HydrophobicContact CD2-CG2 3.72Å; L388-T453 HydrophobicContact CG-CG2 3.66Å
389	E	95.7	Very high	94.4	Very high	105 Å²	105	40.2 Å²	40.2	49%	0.491	24%	0.238	S	C	.	.			trans	-75.8	151	171.9	-64.1	-52.6	136.3	0	0	111	K378 G391 W392	K378-E389 VanDerWaalsContact CE-OE1 3.24Å; K378-E389 WeakPolarHBondContact CE-OE1 3.42Å; K378-E389 IonicContact NZ-OE1 2.74Å; K378-E389 PolarHBondContact NZ-OE1 3.49Å; K378-E389 IonicContact NZ-OE2 2.69Å; E389-G391 PolarHBondContact O-N 2.77Å; E389-W392 VanDerWaalsContact O-CD1 3.24Å
390	P	97.5	Very high	94.6	Very high	74 Å²	74	38.9 Å²	38.9	48%	0.481	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	138.1	178.6	-27.3	34.1	0	0	0	112.5	K378	K378-P390 HydrophobicContact CB-CG 4.45Å
391	G	97.1	Very high	94.9	Very high	37 Å²	37	35.3 Å²	35.3	38%	0.381	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.7	-3.9	-177.7	0	0	0	0	0	114.7	V375 E389	V375-G391 PolarHBondContact O-N 3.1Å; E389-G391 PolarHBondContact O-N 2.77Å
392	W	97.8	Very high	95.5	Very high	16 Å²	16	34.2 Å²	34.2	6%	0.061	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-69.5	148	179.2	60.8	-85.1	0	0	0	113	Y166 V375 V377 R379 L388 E389 Y451 P452	Y166-W392 AromaticContact CE2-CH2 3.93Å; Y166-W392 HydrophobicContact CE2-CH2 3.93Å; V375-W392 HydrophobicContact CB-CD2 3.85Å; V375-W392 HydrophobicContact CB-CE3 4.34Å; V375-W392 HydrophobicContact CB-CG 4.33Å; V375-W392 HydrophobicContact CB-CH2 4.21Å; V375-W392 HydrophobicContact CB-CZ2 3.71Å; V375-W392 HydrophobicContact CG1-CD2 4.48Å; V375-W392 HydrophobicContact CG1-CH2 4.16Å; V375-W392 HydrophobicContact CG1-CZ2 3.45Å; V375-W392 VanDerWaalsContact CG1-CZ2 3.45Å; V375-W392 HydrophobicContact CG2-CD2 4.03Å; V375-W392 HydrophobicContact CG2-CE3 4Å; V375-W392 HydrophobicContact CG2-CH2 3.82Å; V375-W392 HydrophobicContact CG2-CZ2 3.86Å; V375-W392 HydrophobicContact CG2-CZ3 3.91Å; V375-W392 WeakPolarHBondContact CG2-O 3.47Å; V375-W392 PolarHBondContact N-O 3.39Å; V377-W392 PolarHBondContact O-NE1 2.98Å; R379-W392 HydrophobicContact CB-CZ2 4.26Å; L388-W392 HydrophobicContact CB-CB 4.26Å; L388-W392 HydrophobicContact CB-CD2 4.29Å; L388-W392 HydrophobicContact CB-CG 3.82Å; L388-W392 HydrophobicContact CD1-CB 4.36Å; L388-W392 HydrophobicContact CD1-CD2 3.67Å; L388-W392 HydrophobicContact CD1-CE3 3.82Å; L388-W392 HydrophobicContact CD1-CG 3.91Å; L388-W392 HydrophobicContact CD1-CZ3 4.37Å; L388-W392 HydrophobicContact CD2-CB 4.33Å; L388-W392 HydrophobicContact CG-CG 4.33Å; E389-W392 VanDerWaalsContact O-CD1 3.24Å; W392-Y451 AromaticContact CH2-CD1 3.84Å; W392-Y451 HydrophobicContact CH2-CD1 3.84Å; W392-Y451 AromaticContact CH2-CE1 3.94Å; W392-Y451 HydrophobicContact CH2-CE1 3.94Å; W392-Y451 AromaticContact CZ3-CD1 3.73Å; W392-Y451 HydrophobicContact CZ3-CD1 3.73Å; W392-Y451 HydrophobicContact CZ3-CE1 4.12Å; W392-P452 HydrophobicContact CB-CG 4.36Å
393	Y	98.5	Very high	96.1	Very high	16 Å²	16	33.2 Å²	33.2	6%	0.063	20%	0.198	C	C	.	.			trans	-98.7	155.7	173.4	-55.9	-71	0	0	0	111.5	D368 F370 P374 I427 G435 P452	D368-Y393 VanDerWaalsContact OD2-CE1 3.23Å; D368-Y393 WeakPolarHBondContact OD2-CE1 3.22Å; D368-Y393 VanDerWaalsContact OD2-CZ 3.26Å; D368-Y393 PolarHBondContact OD2-OH 3.29Å; F370-Y393 WeakPolarHBondContact CD2-OH 3.2Å; P374-Y393 HydrophobicContact CB-CD1 4.4Å; P374-Y393 HydrophobicContact CB-CE1 3.89Å; P374-Y393 HydrophobicContact CG-CE1 4.36Å; Y393-I427 HydrophobicContact CD1-CD1 3.77Å; Y393-I427 HydrophobicContact CD2-CD1 3.89Å; Y393-I427 HydrophobicContact CD2-CG2 4.17Å; Y393-I427 HydrophobicContact CE1-CD1 3.85Å; Y393-I427 HydrophobicContact CE2-CD1 3.97Å; Y393-I427 HydrophobicContact CG-CD1 3.78Å; Y393-I427 HydrophobicContact CG-CG2 4.27Å; Y393-G435 VanDerWaalsContact CD2-O 3.27Å; Y393-G435 WeakPolarHBondContact CD2-O 3.41Å; Y393-G435 WeakPolarHBondContact CE2-O 3.43Å; Y393-P452 WeakPolarHBondContact O-CD 3.37Å; Y393-P452 VanDerWaalsContact O-CG 3.25Å; Y393-P452 WeakPolarHBondContact O-CG 3.33Å
394	S	98.6	Very high	96.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.158	C	C	.	.			trans	-119.3	127.6	176.2	-176.2	0	0	0	0	110.8	M396 A397 Q398 E450	S394-M396 PolarHBondContact O-N 2.88Å; S394-A397 WeakPolarHBondContact O-CA 3.43Å; S394-A397 WeakPolarHBondContact O-CB 3.33Å; S394-A397 PolarHBondContact O-N 2.79Å; S394-Q398 WeakPolarHBondContact O-CG 3.18Å; S394-Q398 PolarHBondContact O-N 3.12Å; S394-E450 WeakPolarHBondContact CA-O 3.32Å; S394-E450 VanDerWaalsContact CB-O 3.26Å; S394-E450 WeakPolarHBondContact CB-O 3.38Å; S394-E450 WeakPolarHBondContact OG-CG 3.15Å; S394-E450 PolarHBondContact OG-O 2.88Å
395	A	98.8	Very high	97.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56	-38.6	173.9	0	0	0	0	0	112.4	A397 Q398 G399 I437 Y448 E449 S466	A395-A397 VanDerWaalsContact C-N 3.33Å; A395-A397 PolarHBondContact O-N 2.92Å; A395-Q398 PolarHBondContact O-N 3.09Å; A395-G399 PolarHBondContact O-N 3.38Å; A395-I437 HydrophobicContact CB-CB 4.43Å; A395-I437 HydrophobicContact CB-CD1 3.74Å; A395-I437 HydrophobicContact CB-CG1 4.44Å; A395-Y448 WeakPolarHBondContact CB-O 3.13Å; A395-E449 WeakPolarHBondContact CB-O 3.38Å; A395-E449 PolarHBondContact N-O 3.47Å; A395-S466 VanDerWaalsContact O-CB 3.23Å; A395-S466 WeakPolarHBondContact O-CB 3.46Å
396	M	98.7	Very high	97.8	Very high	11 Å²	11	16.1 Å²	16.1	5%	0.054	10%	0.098	C	C	.	.	H	α-helix	trans	-66.4	-34.2	176	-172.8	176.8	177.5	0	0	112.2	V168 S394 H400 E450 Y465	V168-M396 HydrophobicContact CG1-CE 3.96Å; V168-M396 HydrophobicContact CG1-CG 4.08Å; V168-M396 HydrophobicContact CG1-SD 4.08Å; V168-M396 HydrophobicContact CG2-CB 4.39Å; V168-M396 HydrophobicContact CG2-CG 4.43Å; S394-M396 PolarHBondContact O-N 2.88Å; M396-H400 PolarHBondContact O-N 3.2Å; M396-H400 VanDerWaalsContact O-N 3.15Å; M396-H400 PolarHBondContact O-ND1 2.98Å; M396-E450 HydrophobicContact CB-CG 3.81Å; M396-E450 VanDerWaalsContact SD-CD 3.5Å; M396-E450 HydrophobicContact SD-CG 4.23Å; M396-Y465 HydrophobicContact CE-CD2 3.55Å; M396-Y465 HydrophobicContact CE-CE2 3.82Å; M396-Y465 HydrophobicContact CE-CG 4.43Å; M396-Y465 HydrophobicContact CG-CD2 4.33Å; M396-Y465 HydrophobicContact SD-CD2 4.27Å
397	A	98.7	Very high	98.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-68.1	-49.4	174.4	0	0	0	0	0	110.5	P167 V168 S394 A395 G399 H400 A401	P167-A397 HydrophobicContact CB-CB 3.82Å; V168-A397 HydrophobicContact CG2-CB 3.66Å; S394-A397 WeakPolarHBondContact O-CA 3.43Å; S394-A397 WeakPolarHBondContact O-CB 3.33Å; S394-A397 PolarHBondContact O-N 2.79Å; A395-A397 VanDerWaalsContact C-N 3.33Å; A395-A397 PolarHBondContact O-N 2.92Å; A397-G399 VanDerWaalsContact C-N 3.28Å; A397-G399 PolarHBondContact O-N 3.28Å; A397-H400 PolarHBondContact O-N 3.29Å; A397-A401 WeakPolarHBondContact O-CB 3.47Å; A397-A401 PolarHBondContact O-N 3.19Å
398	Q	98.8	Very high	98.3	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.6	-45.2	178.7	-61.4	-57.3	106.3	0	0	110.6	G371 S394 A395 A401 M402 A424 F428 I437	G371-Q398 PolarHBondContact O-NE2 3.46Å; S394-Q398 WeakPolarHBondContact O-CG 3.18Å; S394-Q398 PolarHBondContact O-N 3.12Å; A395-Q398 PolarHBondContact O-N 3.09Å; Q398-A401 PolarHBondContact O-N 3.02Å; Q398-M402 WeakPolarHBondContact O-CB 3.21Å; Q398-M402 VanDerWaalsContact O-CG 3.27Å; Q398-M402 WeakPolarHBondContact O-CG 3.39Å; Q398-M402 PolarHBondContact O-N 3.01Å; Q398-A424 PolarHBondContact NE2-O 2.79Å; Q398-F428 HydrophobicContact CB-CE2 3.51Å; Q398-F428 HydrophobicContact CB-CZ 3.9Å; Q398-F428 HydrophobicContact CG-CE2 4.29Å; Q398-I437 HydrophobicContact CG-CD1 4.37Å
399	G	98.8	Very high	98.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-55.4	-58.9	176.1	0	0	0	0	0	113.4	A395 A397 A401 M402 S403 G469	A395-G399 PolarHBondContact O-N 3.38Å; A397-G399 VanDerWaalsContact C-N 3.28Å; A397-G399 PolarHBondContact O-N 3.28Å; G399-A401 VanDerWaalsContact C-N 3.31Å; G399-A401 PolarHBondContact O-N 2.9Å; G399-M402 PolarHBondContact O-N 2.92Å; G399-S403 PolarHBondContact O-N 2.77Å; G399-S403 PolarHBondContact O-OG 2.89Å; G399-G469 VanDerWaalsContact O-CA 3.31Å; G399-G469 WeakPolarHBondContact O-CA 3Å
400	H	98.9	Very high	98.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.8	-39.4	179.8	-70.6	128.5	0	0	0	112.8	F131 F134 S171 L175 M396 A397 S403 V404 Y465	F131-H400 AromaticContact CE1-CD2 3.49Å; F131-H400 VanDerWaalsContact CE1-CD2 3.49Å; F131-H400 WeakPolarHBondContact CE1-CD2 3.47Å; F131-H400 AromaticContact CE1-NE2 3.75Å; F131-H400 AromaticContact CZ-CD2 3.66Å; F134-H400 AromaticContact CZ-NE2 3.99Å; S171-H400 VanDerWaalsContact CB-CB 3.4Å; L175-H400 HydrophobicContact CD1-CB 3.72Å; L175-H400 WeakPolarHBondContact CD1-CD2 3.2Å; M396-H400 PolarHBondContact O-N 3.2Å; M396-H400 VanDerWaalsContact O-N 3.15Å; M396-H400 PolarHBondContact O-ND1 2.98Å; A397-H400 PolarHBondContact O-N 3.29Å; H400-S403 WeakPolarHBondContact O-CB 3.14Å; H400-S403 PolarHBondContact O-N 2.98Å; H400-V404 WeakPolarHBondContact O-CG2 3.48Å; H400-V404 PolarHBondContact O-N 3.38Å; H400-Y465 AromaticContact CE1-CG 3.85Å; H400-Y465 AromaticContact NE2-CD1 3.39Å; H400-Y465 WeakPolarHBondContact NE2-CD1 3.48Å; H400-Y465 AromaticContact NE2-CE1 3.81Å; H400-Y465 AromaticContact NE2-CG 3.6Å
401	A	98.9	Very high	98.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.2	-42.6	179	0	0	0	0	0	111.6	S171 L363 W373 A397 Q398 G399 S403 V404 L405	S171-A401 WeakPolarHBondContact OG-CA 3.3Å; S171-A401 PolarHBondContact OG-N 3.06Å; L363-A401 HydrophobicContact CD1-CB 4.07Å; L363-A401 HydrophobicContact CD2-CB 3.83Å; W373-A401 HydrophobicContact CD2-CB 4.34Å; W373-A401 HydrophobicContact CE3-CB 3.65Å; W373-A401 HydrophobicContact CH2-CB 3.42Å; W373-A401 VanDerWaalsContact CH2-CB 3.42Å; W373-A401 HydrophobicContact CZ2-CB 4.11Å; W373-A401 HydrophobicContact CZ3-CB 3.16Å; A397-A401 WeakPolarHBondContact O-CB 3.47Å; A397-A401 PolarHBondContact O-N 3.19Å; Q398-A401 PolarHBondContact O-N 3.02Å; G399-A401 VanDerWaalsContact C-N 3.31Å; G399-A401 PolarHBondContact O-N 2.9Å; A401-S403 VanDerWaalsContact C-N 3.32Å; A401-S403 PolarHBondContact O-N 3.04Å; A401-V404 PolarHBondContact O-N 3.41Å; A401-L405 WeakPolarHBondContact O-CB 3.49Å; A401-L405 WeakPolarHBondContact O-CD1 3.38Å; A401-L405 WeakPolarHBondContact O-CG 3.37Å; A401-L405 PolarHBondContact O-N 3.03Å
402	M	98.9	Very high	98.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-57.3	-45.8	171.5	-73.2	-176.2	-61.7	0	0	111.1	Q398 G399 V404 L405 C406 A421 A424 A425 F428 L470 L473	Q398-M402 WeakPolarHBondContact O-CB 3.21Å; Q398-M402 VanDerWaalsContact O-CG 3.27Å; Q398-M402 WeakPolarHBondContact O-CG 3.39Å; Q398-M402 PolarHBondContact O-N 3.01Å; G399-M402 PolarHBondContact O-N 2.92Å; M402-V404 PolarHBondContact O-N 3.05Å; M402-L405 PolarHBondContact O-N 3.44Å; M402-C406 WeakPolarHBondContact O-CB 3.28Å; M402-C406 PolarHBondContact O-N 3.23Å; M402-C406 PolarHBondContact O-SG 3.14Å; M402-A421 HydrophobicContact CG-CB 4.49Å; M402-A424 HydrophobicContact CG-CB 3.76Å; M402-A424 HydrophobicContact SD-CB 4.31Å; M402-A425 HydrophobicContact SD-CB 4.13Å; M402-F428 HydrophobicContact CE-CE2 3.44Å; M402-F428 VanDerWaalsContact CE-CE2 3.44Å; M402-F428 HydrophobicContact CE-CZ 3.58Å; M402-F428 HydrophobicContact SD-CE2 4.33Å; M402-L470 HydrophobicContact CE-CD2 3.91Å; M402-L470 HydrophobicContact CE-CG 4.07Å; M402-L470 HydrophobicContact SD-CD2 4.33Å; M402-L473 HydrophobicContact CG-CD2 4.37Å; M402-L473 HydrophobicContact SD-CB 4.32Å; M402-L473 HydrophobicContact SD-CD2 3.59Å; M402-L473 VanDerWaalsContact SD-CD2 3.59Å
403	S	98.9	Very high	98.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.6	-38.7	177.4	-68.4	0	0	0	0	113.9	F131 G399 H400 A401 R407 G469 D472	F131-S403 WeakPolarHBondContact CE2-OG 3.46Å; G399-S403 PolarHBondContact O-N 2.77Å; G399-S403 PolarHBondContact O-OG 2.89Å; H400-S403 WeakPolarHBondContact O-CB 3.14Å; H400-S403 PolarHBondContact O-N 2.98Å; A401-S403 VanDerWaalsContact C-N 3.32Å; A401-S403 PolarHBondContact O-N 3.04Å; S403-R407 WeakPolarHBondContact O-CD 3.38Å; S403-R407 WeakPolarHBondContact O-CG 3.36Å; S403-R407 PolarHBondContact O-N 3.09Å; S403-R407 PolarHBondContact O-NH1 3.28Å; S403-G469 WeakPolarHBondContact OG-CA 3.39Å; S403-D472 WeakPolarHBondContact CB-OD2 3.42Å; S403-D472 PolarHBondContact OG-OD2 3.39Å
404	V	98.9	Very high	98.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.4	-50.4	173.5	170.7	0	0	0	0	110.4	S171 L175 F356 T359 A360 L363 H400 A401 M402 C406 R407 A408	S171-V404 WeakPolarHBondContact O-CG2 3.11Å; L175-V404 HydrophobicContact CD1-CG2 4.34Å; L175-V404 HydrophobicContact CD2-CG2 3.72Å; L175-V404 HydrophobicContact CG-CG2 3.58Å; F356-V404 HydrophobicContact CD2-CG1 4.39Å; F356-V404 HydrophobicContact CE2-CG1 3.81Å; F356-V404 HydrophobicContact CZ-CG1 4.5Å; T359-V404 HydrophobicContact CG2-CG1 4.17Å; A360-V404 HydrophobicContact CB-CG1 4.03Å; L363-V404 HydrophobicContact CD1-CB 3.79Å; L363-V404 HydrophobicContact CD1-CG1 3.67Å; L363-V404 HydrophobicContact CD1-CG2 4.32Å; H400-V404 WeakPolarHBondContact O-CG2 3.48Å; H400-V404 PolarHBondContact O-N 3.38Å; A401-V404 PolarHBondContact O-N 3.41Å; M402-V404 PolarHBondContact O-N 3.05Å; V404-C406 PolarHBondContact O-N 3.36Å; V404-R407 PolarHBondContact O-N 3.02Å; V404-A408 PolarHBondContact O-N 3.43Å
405	L	98.9	Very high	98.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.9	-37.8	-175.8	-69.4	167.9	0	0	0	111.9	L363 V364 W373 A401 M402 A408 F409 Y417 A420 A421	L363-L405 HydrophobicContact CB-CD1 4.48Å; L363-L405 HydrophobicContact CB-CD2 4.07Å; L363-L405 HydrophobicContact CB-CG 4.39Å; L363-L405 HydrophobicContact CD1-CG 4.31Å; V364-L405 HydrophobicContact CG2-CD2 3.74Å; W373-L405 HydrophobicContact CH2-CD1 3.81Å; W373-L405 HydrophobicContact CZ2-CD1 3.97Å; A401-L405 WeakPolarHBondContact O-CB 3.49Å; A401-L405 WeakPolarHBondContact O-CD1 3.38Å; A401-L405 WeakPolarHBondContact O-CG 3.37Å; A401-L405 PolarHBondContact O-N 3.03Å; M402-L405 PolarHBondContact O-N 3.44Å; L405-A408 PolarHBondContact O-N 3.01Å; L405-F409 WeakPolarHBondContact O-CB 3.49Å; L405-F409 PolarHBondContact O-N 3.4Å; L405-Y417 HydrophobicContact CD2-CD1 3.97Å; L405-Y417 WeakPolarHBondContact O-CB 3.34Å; L405-A420 HydrophobicContact CD1-CB 3.87Å; L405-A420 HydrophobicContact CD2-CB 4.27Å; L405-A421 HydrophobicContact CB-CB 3.78Å; L405-A421 HydrophobicContact CD1-CB 4.17Å
406	C	98.8	Very high	98.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.7	-47.3	174.1	-69.2	0	0	0	0	111.2	T127 M402 V404 A408 F409 L410 C476	T127-C406 HydrophobicContact CG2-CB 4.33Å; M402-C406 WeakPolarHBondContact O-CB 3.28Å; M402-C406 PolarHBondContact O-N 3.23Å; M402-C406 PolarHBondContact O-SG 3.14Å; V404-C406 PolarHBondContact O-N 3.36Å; C406-A408 VanDerWaalsContact C-N 3.32Å; C406-A408 PolarHBondContact O-N 3.1Å; C406-F409 WeakPolarHBondContact O-CB 3.43Å; C406-F409 PolarHBondContact O-N 3.25Å; C406-L410 WeakPolarHBondContact O-CB 3.34Å; C406-L410 VanDerWaalsContact O-CG 3.26Å; C406-L410 WeakPolarHBondContact O-CG 3.36Å; C406-L410 PolarHBondContact O-N 3.26Å; C406-C476 HydrophobicContact CB-CB 3.88Å
407	R	98.4	Very high	98.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.8	-39.9	175.5	-76.8	166.8	172.9	76.9	7.8	112.5	Y125 T127 G129 Y178 F356 S403 V404 L410 L411 D472	Y125-R407 PolarHBondContact OH-NH2 3.05Å; T127-R407 WeakPolarHBondContact O-CG 3.46Å; T127-R407 PolarHBondContact O-NE 3.37Å; T127-R407 PolarHBondContact O-NH2 2.93Å; G129-R407 PolarHBondContact O-NE 3.07Å; G129-R407 PolarHBondContact O-NH2 3.02Å; Y178-R407 HydrophobicContact CD1-CG 4.19Å; Y178-R407 HydrophobicContact CD2-CB 3.89Å; Y178-R407 HydrophobicContact CD2-CG 4.32Å; Y178-R407 HydrophobicContact CE1-CB 4.36Å; Y178-R407 HydrophobicContact CE1-CG 3.78Å; Y178-R407 HydrophobicContact CE2-CB 3.59Å; Y178-R407 HydrophobicContact CE2-CG 3.92Å; Y178-R407 HydrophobicContact CG-CB 4.38Å; Y178-R407 HydrophobicContact CG-CG 4.43Å; F356-R407 HydrophobicContact CE2-CB 4.23Å; F356-R407 HydrophobicContact CZ-CB 3.75Å; S403-R407 WeakPolarHBondContact O-CD 3.38Å; S403-R407 WeakPolarHBondContact O-CG 3.36Å; S403-R407 PolarHBondContact O-N 3.09Å; S403-R407 PolarHBondContact O-NH1 3.28Å; V404-R407 PolarHBondContact O-N 3.02Å; R407-L410 PolarHBondContact O-N 3.02Å; R407-L411 WeakPolarHBondContact O-CG 3.48Å; R407-L411 PolarHBondContact O-N 2.65Å; R407-D472 IonicContact CZ-OD2 2.71Å; R407-D472 IonicContact NH1-OD2 3.97Å; R407-D472 PolarHBondContact NH1-OD2 3.47Å; R407-D472 IonicContact NH2-OD2 3.72Å
408	A	98.6	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.1	-40.7	177.4	0	0	0	0	0	111.6	F356 F357 A360 V404 L405 C406 T412 Y417	F356-A408 HydrophobicContact CE1-CB 4.02Å; F356-A408 HydrophobicContact CZ-CB 3.87Å; F357-A408 HydrophobicContact CE1-CB 4.44Å; A360-A408 HydrophobicContact CB-CB 3.68Å; V404-A408 PolarHBondContact O-N 3.43Å; L405-A408 PolarHBondContact O-N 3.01Å; C406-A408 VanDerWaalsContact C-N 3.32Å; C406-A408 PolarHBondContact O-N 3.1Å; A408-T412 WeakPolarHBondContact O-CB 3.4Å; A408-T412 WeakPolarHBondContact O-CG2 3.4Å; A408-T412 PolarHBondContact O-N 3.08Å; A408-T412 PolarHBondContact O-OG1 3.32Å; A408-Y417 HydrophobicContact CB-CD1 3.96Å; A408-Y417 HydrophobicContact CB-CD2 3.82Å; A408-Y417 HydrophobicContact CB-CE1 4.28Å; A408-Y417 HydrophobicContact CB-CE2 4.12Å; A408-Y417 HydrophobicContact CB-CG 3.74Å
409	F	98.6	Very high	98.5	Very high	25 Å²	25	35.4 Å²	35.4	11%	0.11	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-45.8	171.2	170.5	-105	0	0	0	111.7	L405 C406 L411 T412 K413 L418 C476	L405-F409 WeakPolarHBondContact O-CB 3.49Å; L405-F409 PolarHBondContact O-N 3.4Å; C406-F409 WeakPolarHBondContact O-CB 3.43Å; C406-F409 PolarHBondContact O-N 3.25Å; F409-L411 VanDerWaalsContact C-N 3.3Å; F409-L411 PolarHBondContact O-N 2.99Å; F409-T412 PolarHBondContact O-N 3.28Å; F409-K413 WeakPolarHBondContact O-CA 3Å; F409-K413 PolarHBondContact O-N 2.91Å; F409-L418 HydrophobicContact CB-CB 4.3Å; F409-L418 HydrophobicContact CD1-CB 4.4Å; F409-L418 HydrophobicContact CD1-CD1 4.43Å; F409-L418 HydrophobicContact CD1-CD2 4.47Å; F409-L418 HydrophobicContact CD2-CB 3.77Å; F409-L418 HydrophobicContact CD2-CD2 4.46Å; F409-L418 HydrophobicContact CE1-CD2 4.04Å; F409-L418 HydrophobicContact CE2-CB 4.16Å; F409-L418 HydrophobicContact CE2-CD2 4.08Å; F409-L418 HydrophobicContact CG-CB 3.88Å; F409-L418 HydrophobicContact CZ-CD2 3.83Å; F409-C476 WeakPolarHBondContact CD1-SG 3.4Å
410	L	97.6	Very high	98.5	Very high	43 Å²	43	35.4 Å²	35.4	23%	0.225	18%	0.175	C	C	.	.	H	α-helix	trans	-62.7	-37.4	-178.5	-71.5	172.2	0	0	0	112.1	T127 E128 C406 R407 K413	T127-L410 HydrophobicContact CG2-CD1 3.85Å; E128-L410 HydrophobicContact CB-CD1 4.23Å; C406-L410 WeakPolarHBondContact O-CB 3.34Å; C406-L410 VanDerWaalsContact O-CG 3.26Å; C406-L410 WeakPolarHBondContact O-CG 3.36Å; C406-L410 PolarHBondContact O-N 3.26Å; R407-L410 PolarHBondContact O-N 3.02Å; L410-K413 WeakPolarHBondContact O-CE 3.47Å; L410-K413 PolarHBondContact O-NZ 3.11Å
411	L	96.9	Very high	98.4	Very high	86 Å²	86	35.4 Å²	35.4	45%	0.45	18%	0.175	S	C	.	.	H	α-helix	trans	-73.2	-41.8	175.9	-73.4	-179.6	0	0	0	113.7	Y178 L353 F356 F357 R407 F409	Y178-L411 HydrophobicContact CD2-CD1 4.14Å; Y178-L411 HydrophobicContact CE2-CD1 3.64Å; Y178-L411 HydrophobicContact CE2-CG 4.08Å; L353-L411 HydrophobicContact CD2-CD1 4.36Å; F356-L411 HydrophobicContact CD1-CD1 4.38Å; F356-L411 HydrophobicContact CE1-CD1 3.89Å; F357-L411 HydrophobicContact CZ-CB 4.36Å; F357-L411 HydrophobicContact CZ-CD1 4.16Å; R407-L411 WeakPolarHBondContact O-CG 3.48Å; R407-L411 PolarHBondContact O-N 2.65Å; F409-L411 VanDerWaalsContact C-N 3.3Å; F409-L411 PolarHBondContact O-N 2.99Å
412	T	97.8	Very high	98.4	Very high	42 Å²	42	40.1 Å²	40.1	26%	0.258	19%	0.192	S	C	.	.	H	α-helix	trans	-105.5	-16.7	-168.2	64.5	0	0	0	0	114.7	F357 A408 F409 K414 Y417	F357-T412 HydrophobicContact CD1-CG2 4.49Å; F357-T412 HydrophobicContact CE1-CG2 3.37Å; F357-T412 HydrophobicContact CZ-CG2 3.51Å; A408-T412 WeakPolarHBondContact O-CB 3.4Å; A408-T412 WeakPolarHBondContact O-CG2 3.4Å; A408-T412 PolarHBondContact O-N 3.08Å; A408-T412 PolarHBondContact O-OG1 3.32Å; F409-T412 PolarHBondContact O-N 3.28Å; T412-K414 PolarHBondContact O-N 3.09Å; T412-K414 VanDerWaalsContact O-N 3.08Å; T412-K414 PolarHBondContact OG1-N 3.05Å; T412-Y417 HydrophobicContact CG2-CE2 4.31Å; T412-Y417 WeakPolarHBondContact OG1-CD2 3.45Å; T412-Y417 WeakPolarHBondContact OG1-CE2 3.48Å
413	K	97.8	Very high	98.4	Very high	136 Å²	136	45 Å²	45	59%	0.591	21%	0.211	S	C	*	.			trans	56.2	14	-168.4	-48.9	-52.1	-173.8	-164	0	114.6	F409 L410 Q415	F409-K413 WeakPolarHBondContact O-CA 3Å; F409-K413 PolarHBondContact O-N 2.91Å; L410-K413 WeakPolarHBondContact O-CE 3.47Å; L410-K413 PolarHBondContact O-NZ 3.11Å; K413-Q415 PolarHBondContact O-N 2.86Å
414	K	98.5	Very high	98.4	Very high	124 Å²	124	45 Å²	45	54%	0.539	21%	0.211	S	C	.	.			trans	-77	116.4	177.8	-67.6	179.7	179.8	178.9	0	110.8	T412 V416 Y417	T412-K414 PolarHBondContact O-N 3.09Å; T412-K414 VanDerWaalsContact O-N 3.08Å; T412-K414 PolarHBondContact OG1-N 3.05Å; K414-V416 HydrophobicContact CB-CG1 4.25Å; K414-V416 PolarHBondContact O-N 3.48Å; K414-V416 VanDerWaalsContact O-N 3.1Å; K414-Y417 HydrophobicContact CB-CD2 3.94Å; K414-Y417 HydrophobicContact CB-CE2 3.94Å; K414-Y417 HydrophobicContact CD-CE2 4.18Å; K414-Y417 PolarHBondContact O-N 3.1Å
415	Q	98.2	Very high	98.4	Very high	106 Å²	106	45 Å²	45	50%	0.495	21%	0.211	S	C	.	.	H	α-helix	trans	-59.7	-25	-175.7	-67.7	-61.1	-20.8	0	0	114.4	K413 Y417 L418 L419	K413-Q415 PolarHBondContact O-N 2.86Å; Q415-Y417 PolarHBondContact O-N 3.02Å; Q415-Y417 VanDerWaalsContact O-N 3.16Å; Q415-L418 PolarHBondContact O-N 3.4Å; Q415-L418 VanDerWaalsContact O-N 3.12Å; Q415-L419 WeakPolarHBondContact O-CG 3.27Å; Q415-L419 PolarHBondContact O-N 3.42Å
416	V	98.6	Very high	98.3	Very high	70 Å²	70	49.1 Å²	49.1	42%	0.424	23%	0.23	S	C	.	.	H	α-helix	trans	-54.3	-36.9	178.9	71.3	0	0	0	0	112.7	V364 K414 A420	V364-V416 HydrophobicContact CG1-CG2 3.56Å; V364-V416 HydrophobicContact CG2-CG2 4.44Å; K414-V416 HydrophobicContact CB-CG1 4.25Å; K414-V416 PolarHBondContact O-N 3.48Å; K414-V416 VanDerWaalsContact O-N 3.1Å; V416-A420 WeakPolarHBondContact O-CB 3.31Å; V416-A420 PolarHBondContact O-N 3.46Å; V416-A420 VanDerWaalsContact O-N 3.14Å
417	Y	98.8	Very high	98.3	Very high	8 Å²	8	49.2 Å²	49.2	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-72.2	-44.7	178.6	-57.9	-59.3	0	0	0	111.6	A360 N361 V364 L405 A408 T412 K414 Q415 L419 A420 A421	A360-Y417 HydrophobicContact CB-CD1 4.17Å; A360-Y417 HydrophobicContact CB-CE1 3.83Å; N361-Y417 WeakPolarHBondContact OD1-CE1 3.4Å; N361-Y417 PolarHBondContact OD1-OH 3.05Å; V364-Y417 HydrophobicContact CG2-CD1 3.59Å; V364-Y417 HydrophobicContact CG2-CE1 4Å; L405-Y417 HydrophobicContact CD2-CD1 3.97Å; L405-Y417 WeakPolarHBondContact O-CB 3.34Å; A408-Y417 HydrophobicContact CB-CD1 3.96Å; A408-Y417 HydrophobicContact CB-CD2 3.82Å; A408-Y417 HydrophobicContact CB-CE1 4.28Å; A408-Y417 HydrophobicContact CB-CE2 4.12Å; A408-Y417 HydrophobicContact CB-CG 3.74Å; T412-Y417 HydrophobicContact CG2-CE2 4.31Å; T412-Y417 WeakPolarHBondContact OG1-CD2 3.45Å; T412-Y417 WeakPolarHBondContact OG1-CE2 3.48Å; K414-Y417 HydrophobicContact CB-CD2 3.94Å; K414-Y417 HydrophobicContact CB-CE2 3.94Å; K414-Y417 HydrophobicContact CD-CE2 4.18Å; K414-Y417 PolarHBondContact O-N 3.1Å; Q415-Y417 PolarHBondContact O-N 3.02Å; Q415-Y417 VanDerWaalsContact O-N 3.16Å; Y417-L419 PolarHBondContact O-N 3.39Å; Y417-A420 PolarHBondContact O-N 3.3Å; Y417-A421 PolarHBondContact O-N 3.31Å
418	L	98.5	Very high	98.3	Very high	18 Å²	18	49.2 Å²	49.2	9%	0.094	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-43.3	178.3	-176	60.5	0	0	0	111.7	F409 Q415 A420 A421 R422 L473 T477	F409-L418 HydrophobicContact CB-CB 4.3Å; F409-L418 HydrophobicContact CD1-CB 4.4Å; F409-L418 HydrophobicContact CD1-CD1 4.43Å; F409-L418 HydrophobicContact CD1-CD2 4.47Å; F409-L418 HydrophobicContact CD2-CB 3.77Å; F409-L418 HydrophobicContact CD2-CD2 4.46Å; F409-L418 HydrophobicContact CE1-CD2 4.04Å; F409-L418 HydrophobicContact CE2-CB 4.16Å; F409-L418 HydrophobicContact CE2-CD2 4.08Å; F409-L418 HydrophobicContact CG-CB 3.88Å; F409-L418 HydrophobicContact CZ-CD2 3.83Å; Q415-L418 PolarHBondContact O-N 3.4Å; Q415-L418 VanDerWaalsContact O-N 3.12Å; L418-A420 PolarHBondContact O-N 3.19Å; L418-A421 PolarHBondContact O-N 2.95Å; L418-R422 WeakPolarHBondContact O-CG 3.39Å; L418-R422 PolarHBondContact O-N 3.39Å; L418-L473 HydrophobicContact CD1-CD1 4.24Å; L418-T477 HydrophobicContact CD1-CG2 3.74Å
419	L	98.4	Very high	98.3	Very high	86 Å²	86	51.6 Å²	51.6	45%	0.45	25%	0.25	S	S	.	.	H	α-helix	trans	-64.1	-39.9	178.1	-67.3	175	0	0	0	112	Q415 Y417 R422 R423	Q415-L419 WeakPolarHBondContact O-CG 3.27Å; Q415-L419 PolarHBondContact O-N 3.42Å; Y417-L419 PolarHBondContact O-N 3.39Å; L419-R422 PolarHBondContact O-N 2.86Å; L419-R423 PolarHBondContact O-N 2.85Å; L419-R423 VanDerWaalsContact O-N 3.1Å
420	A	98.8	Very high	98.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-42.7	173.4	0	0	0	0	0	111.7	V364 Q367 L405 V416 Y417 L418 R422 R423 A424	V364-A420 HydrophobicContact CG2-CB 4.01Å; Q367-A420 PolarHBondContact NE2-O 3.16Å; L405-A420 HydrophobicContact CD1-CB 3.87Å; L405-A420 HydrophobicContact CD2-CB 4.27Å; V416-A420 WeakPolarHBondContact O-CB 3.31Å; V416-A420 PolarHBondContact O-N 3.46Å; V416-A420 VanDerWaalsContact O-N 3.14Å; Y417-A420 PolarHBondContact O-N 3.3Å; L418-A420 PolarHBondContact O-N 3.19Å; A420-R422 PolarHBondContact O-N 3.19Å; A420-R423 PolarHBondContact O-N 2.86Å; A420-A424 PolarHBondContact O-N 3.29Å; A420-A424 VanDerWaalsContact O-N 3.11Å
421	A	98.7	Very high	98.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-42.3	177.1	0	0	0	0	0	111.9	M402 L405 Y417 L418 R423 A424 A425 L473	M402-A421 HydrophobicContact CG-CB 4.49Å; L405-A421 HydrophobicContact CB-CB 3.78Å; L405-A421 HydrophobicContact CD1-CB 4.17Å; Y417-A421 PolarHBondContact O-N 3.31Å; L418-A421 PolarHBondContact O-N 2.95Å; A421-R423 PolarHBondContact O-N 3.09Å; A421-A424 WeakPolarHBondContact O-CB 3.41Å; A421-A424 PolarHBondContact O-N 2.71Å; A421-A424 VanDerWaalsContact O-N 3.13Å; A421-A425 PolarHBondContact O-N 2.93Å; A421-L473 HydrophobicContact CB-CD1 3.69Å; A421-L473 WeakPolarHBondContact O-CD2 3.12Å
422	R	98.4	Very high	98.3	Very high	98 Å²	98	51.7 Å²	51.7	37%	0.37	25%	0.248	S	C	.	.	H	α-helix	trans	-59.5	-46	175.5	-72.7	175.1	69.1	100.6	10.2	112.3	L418 L419 A420 A424 A425 L473 T477 D480	L418-R422 WeakPolarHBondContact O-CG 3.39Å; L418-R422 PolarHBondContact O-N 3.39Å; L419-R422 PolarHBondContact O-N 2.86Å; A420-R422 PolarHBondContact O-N 3.19Å; R422-A424 PolarHBondContact O-N 3.31Å; R422-A425 WeakPolarHBondContact O-CB 3.42Å; R422-A425 PolarHBondContact O-N 3.15Å; R422-L473 HydrophobicContact CG-CD1 4.24Å; R422-T477 HydrophobicContact CG-CG2 4.02Å; R422-D480 IonicContact CZ-OD2 3.83Å; R422-D480 IonicContact NH1-OD2 2.73Å; R422-D480 PolarHBondContact NH1-OD2 3.02Å; R422-D480 IonicContact NH2-OD2 3.15Å; R422-D480 PolarHBondContact NH2-OD2 2.75Å
423	R	98.4	Very high	98.2	Very high	103 Å²	103	53.6 Å²	53.6	39%	0.389	26%	0.263	S	S	.	.	H	α-helix	trans	-60.2	-34.8	175.5	-72.5	-170.6	-60	-92.3	1.4	112.3	Q367 L419 A420 A421 A425 E426	Q367-R423 VanDerWaalsContact OE1-CZ 3.25Å; L419-R423 PolarHBondContact O-N 2.85Å; L419-R423 VanDerWaalsContact O-N 3.1Å; A420-R423 PolarHBondContact O-N 2.86Å; A421-R423 PolarHBondContact O-N 3.09Å; R423-A425 PolarHBondContact O-N 2.81Å; R423-E426 WeakPolarHBondContact O-CB 3.28Å; R423-E426 WeakPolarHBondContact O-CG 3.29Å; R423-E426 PolarHBondContact O-N 3.06Å; R423-E426 VanDerWaalsContact O-N 3.14Å
424	A	98.7	Very high	98.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-25.6	178.9	0	0	0	0	0	114.3	G371 W373 Q398 M402 A420 A421 R422 E426	G371-A424 WeakPolarHBondContact O-CA 3.25Å; W373-A424 HydrophobicContact CH2-CB 3.73Å; W373-A424 HydrophobicContact CZ3-CB 3.68Å; Q398-A424 PolarHBondContact NE2-O 2.79Å; M402-A424 HydrophobicContact CG-CB 3.76Å; M402-A424 HydrophobicContact SD-CB 4.31Å; A420-A424 PolarHBondContact O-N 3.29Å; A420-A424 VanDerWaalsContact O-N 3.11Å; A421-A424 WeakPolarHBondContact O-CB 3.41Å; A421-A424 PolarHBondContact O-N 2.71Å; A421-A424 VanDerWaalsContact O-N 3.13Å; R422-A424 PolarHBondContact O-N 3.31Å; A424-E426 VanDerWaalsContact C-N 3.33Å
425	A	98.5	Very high	97.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-73.6	-22	176.3	0	0	0	0	0	113.5	M402 A421 R422 R423 I427 F428 L470 L473 I483 L486	M402-A425 HydrophobicContact SD-CB 4.13Å; A421-A425 PolarHBondContact O-N 2.93Å; R422-A425 WeakPolarHBondContact O-CB 3.42Å; R422-A425 PolarHBondContact O-N 3.15Å; R423-A425 PolarHBondContact O-N 2.81Å; A425-I427 PolarHBondContact O-N 3.01Å; A425-F428 WeakPolarHBondContact O-CB 3.43Å; A425-F428 PolarHBondContact O-N 3.31Å; A425-F428 VanDerWaalsContact O-N 3.13Å; A425-L470 HydrophobicContact CB-CD2 4.44Å; A425-L473 HydrophobicContact CB-CD2 3.81Å; A425-I483 HydrophobicContact CB-CD1 3.28Å; A425-L486 HydrophobicContact CB-CD1 4.21Å
426	E	97.9	Very high	97.9	Very high	87 Å²	87	41.1 Å²	41.1	41%	0.407	23%	0.226	S	C	.	.	H	α-helix	trans	-59.2	-35.6	-178.5	-64.9	-60.2	142.5	0	0	112.4	R423 A424 F428 A429 K482	R423-E426 WeakPolarHBondContact O-CB 3.28Å; R423-E426 WeakPolarHBondContact O-CG 3.29Å; R423-E426 PolarHBondContact O-N 3.06Å; R423-E426 VanDerWaalsContact O-N 3.14Å; A424-E426 VanDerWaalsContact C-N 3.33Å; E426-F428 PolarHBondContact O-N 2.71Å; E426-A429 PolarHBondContact O-N 3.26Å; E426-K482 IonicContact OE1-NZ 2.6Å; E426-K482 PolarHBondContact OE1-NZ 3Å; E426-K482 IonicContact OE2-NZ 2.83Å; E426-K482 PolarHBondContact OE2-NZ 2.82Å
427	I	98.2	Very high	97.9	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-64.2	-27.7	-179	-64	-171.8	0	0	0	112.4	F370 Y393 A425 A429 R430 I437	F370-I427 WeakPolarHBondContact O-CG1 3.38Å; Y393-I427 HydrophobicContact CD1-CD1 3.77Å; Y393-I427 HydrophobicContact CD2-CD1 3.89Å; Y393-I427 HydrophobicContact CD2-CG2 4.17Å; Y393-I427 HydrophobicContact CE1-CD1 3.85Å; Y393-I427 HydrophobicContact CE2-CD1 3.97Å; Y393-I427 HydrophobicContact CG-CD1 3.78Å; Y393-I427 HydrophobicContact CG-CG2 4.27Å; A425-I427 PolarHBondContact O-N 3.01Å; I427-A429 PolarHBondContact O-N 3.33Å; I427-R430 PolarHBondContact O-N 3.16Å; I427-R430 VanDerWaalsContact O-N 3.1Å; I427-I437 HydrophobicContact CG2-CB 4.38Å; I427-I437 HydrophobicContact CG2-CD1 4.01Å; I427-I437 HydrophobicContact CG2-CG1 3.95Å; I427-I437 HydrophobicContact CG2-CG2 3.84Å
428	F	98.7	Very high	97.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-66.8	-21.8	179.1	-73.8	-104	0	0	0	113.5	Q398 M402 A425 E426 I437 Y448 L470 L486	Q398-F428 HydrophobicContact CB-CE2 3.51Å; Q398-F428 HydrophobicContact CB-CZ 3.9Å; Q398-F428 HydrophobicContact CG-CE2 4.29Å; M402-F428 HydrophobicContact CE-CE2 3.44Å; M402-F428 VanDerWaalsContact CE-CE2 3.44Å; M402-F428 HydrophobicContact CE-CZ 3.58Å; M402-F428 HydrophobicContact SD-CE2 4.33Å; A425-F428 WeakPolarHBondContact O-CB 3.43Å; A425-F428 PolarHBondContact O-N 3.31Å; A425-F428 VanDerWaalsContact O-N 3.13Å; E426-F428 PolarHBondContact O-N 2.71Å; F428-I437 HydrophobicContact CB-CD1 4.39Å; F428-I437 HydrophobicContact CD1-CD1 3.83Å; F428-I437 HydrophobicContact CD2-CD1 3.87Å; F428-I437 HydrophobicContact CE1-CD1 4.03Å; F428-I437 HydrophobicContact CE2-CD1 4.08Å; F428-I437 HydrophobicContact CG-CD1 3.75Å; F428-I437 HydrophobicContact CZ-CD1 4.15Å; F428-Y448 HydrophobicContact CB-CD1 4.38Å; F428-Y448 HydrophobicContact CB-CE1 4.16Å; F428-Y448 AromaticContact CD1-CD1 3.75Å; F428-Y448 HydrophobicContact CD1-CD1 3.75Å; F428-Y448 AromaticContact CD1-CD2 3.6Å; F428-Y448 HydrophobicContact CD1-CD2 3.6Å; F428-Y448 HydrophobicContact CD1-CE1 4.02Å; F428-Y448 AromaticContact CD1-CE2 3.88Å; F428-Y448 HydrophobicContact CD1-CE2 3.88Å; F428-Y448 AromaticContact CD1-CG 3.54Å; F428-Y448 HydrophobicContact CD1-CG 3.54Å; F428-Y448 AromaticContact CE1-CD2 3.86Å; F428-Y448 HydrophobicContact CE1-CD2 3.86Å; F428-Y448 HydrophobicContact CE1-CE2 4.4Å; F428-Y448 AromaticContact CE1-CG 3.99Å; F428-Y448 HydrophobicContact CE1-CG 3.99Å; F428-Y448 WeakPolarHBondContact O-CE1 3.48Å; F428-L470 HydrophobicContact CD1-CD1 3.82Å; F428-L470 HydrophobicContact CD1-CD2 4.38Å; F428-L470 HydrophobicContact CD1-CG 4.34Å; F428-L470 HydrophobicContact CD2-CD2 4.3Å; F428-L470 HydrophobicContact CE1-CD1 3.77Å; F428-L470 HydrophobicContact CE1-CD2 4.37Å; F428-L470 HydrophobicContact CE1-CG 4.01Å; F428-L470 HydrophobicContact CE2-CD2 4.27Å; F428-L470 HydrophobicContact CG-CD2 4.35Å; F428-L470 HydrophobicContact CZ-CD1 4.41Å; F428-L470 HydrophobicContact CZ-CD2 4.32Å; F428-L470 HydrophobicContact CZ-CG 4.15Å; F428-L486 HydrophobicContact CB-CD1 4.26Å; F428-L486 HydrophobicContact CB-CD2 3.75Å
429	A	97.6	Very high	97.9	Very high	50 Å²	50	37.8 Å²	37.8	41%	0.413	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-89.3	-9.1	176	0	0	0	0	0	113	E426 I427 L486	E426-A429 PolarHBondContact O-N 3.26Å; I427-A429 PolarHBondContact O-N 3.33Å; A429-L486 HydrophobicContact CB-CD2 4.41Å
430	R	97.8	Very high	97.8	Very high	83 Å²	83	38.4 Å²	38.4	31%	0.313	20%	0.203	S	C	.	.	S	Bend	trans	-95.2	131.1	-176	-173.3	-180	-178.4	176.3	-0.1	110.5	I427 S434 G436 I437 L438	I427-R430 PolarHBondContact O-N 3.16Å; I427-R430 VanDerWaalsContact O-N 3.1Å; R430-S434 PolarHBondContact NE-O 3.33Å; R430-S434 PolarHBondContact NH2-O 2.65Å; R430-G436 CarbonylContact O-C 3.58Å; R430-G436 VanDerWaalsContact O-CA 3.29Å; R430-G436 WeakPolarHBondContact O-CA 3.2Å; R430-I437 PolarHBondContact O-N 2.59Å; R430-L438 VanDerWaalsContact O-CB 3.29Å; R430-L438 WeakPolarHBondContact O-CB 3.14Å; R430-L438 PolarHBondContact O-N 3.44Å
431	N	98.1	Very high	97.8	Very high	62 Å²	62	38.9 Å²	38.9	33%	0.332	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-62	142.5	177.4	-70.4	-16.7	0	0	0	111.8	S433 S434 G435 G436 L438	N431-S433 PolarHBondContact O-N 2.8Å; N431-S434 CarbonylContact O-C 3.49Å; N431-S434 WeakPolarHBondContact O-CA 3.35Å; N431-S434 PolarHBondContact O-N 3.32Å; N431-G435 PolarHBondContact O-N 2.98Å; N431-G436 WeakPolarHBondContact O-CA 3.28Å; N431-G436 PolarHBondContact O-N 3Å; N431-L438 CarbonylContact C-O 3.6Å; N431-L438 VanDerWaalsContact CA-O 3.29Å; N431-L438 WeakPolarHBondContact CA-O 3.29Å
432	A	97.3	Very high	97.6	Very high	11 Å²	11	44.6 Å²	44.6	9%	0.091	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-54.8	-40.7	173.8	0	0	0	0	0	111.7	S434 G435 G436 L438 N439 P452	A432-S434 PolarHBondContact O-N 3.19Å; A432-S434 VanDerWaalsContact O-N 3.16Å; A432-G435 PolarHBondContact O-N 2.7Å; A432-G436 WeakPolarHBondContact CA-O 3.39Å; A432-L438 PolarHBondContact N-O 3.29Å; A432-N439 WeakPolarHBondContact CB-OD1 3.46Å; A432-P452 HydrophobicContact CB-CB 3.72Å
433	S	95.7	Very high	97.4	Very high	81 Å²	81	45.3 Å²	45.3	57%	0.566	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-61.4	-20.6	174.5	58.9	0	0	0	0	114.9	N431	N431-S433 PolarHBondContact O-N 2.8Å
434	S	96.1	Very high	97.2	Very high	68 Å²	68	45.2 Å²	45.2	48%	0.476	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-106.3	13.9	176.7	-52.3	0	0	0	0	112.2	R430 N431 A432	R430-S434 PolarHBondContact NE-O 3.33Å; R430-S434 PolarHBondContact NH2-O 2.65Å; N431-S434 CarbonylContact O-C 3.49Å; N431-S434 WeakPolarHBondContact O-CA 3.35Å; N431-S434 PolarHBondContact O-N 3.32Å; A432-S434 PolarHBondContact O-N 3.19Å; A432-S434 VanDerWaalsContact O-N 3.16Å
435	G	95.3	Very high	97.2	Very high	36 Å²	36	46.6 Å²	46.6	37%	0.371	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	19.3	-179	0	0	0	0	0	115	Y393 N431 A432	Y393-G435 VanDerWaalsContact CD2-O 3.27Å; Y393-G435 WeakPolarHBondContact CD2-O 3.41Å; Y393-G435 WeakPolarHBondContact CE2-O 3.43Å; N431-G435 PolarHBondContact O-N 2.98Å; A432-G435 PolarHBondContact O-N 2.7Å
436	G	97.6	Very high	97.2	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.01	28%	0.281	C	S	.	.	S	Bend	trans	-101.4	-151.9	170.6	0	0	0	0	0	113.1	R430 N431 A432 P452	R430-G436 CarbonylContact O-C 3.58Å; R430-G436 VanDerWaalsContact O-CA 3.29Å; R430-G436 WeakPolarHBondContact O-CA 3.2Å; N431-G436 WeakPolarHBondContact O-CA 3.28Å; N431-G436 PolarHBondContact O-N 3Å; A432-G436 WeakPolarHBondContact CA-O 3.39Å; G436-P452 WeakPolarHBondContact O-CB 3.06Å
437	I	98.6	Very high	97.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-125.7	0.2	-179.8	63.8	-174.6	0	0	0	113.9	A395 Q398 I427 F428 R430 E449	A395-I437 HydrophobicContact CB-CB 4.43Å; A395-I437 HydrophobicContact CB-CD1 3.74Å; A395-I437 HydrophobicContact CB-CG1 4.44Å; Q398-I437 HydrophobicContact CG-CD1 4.37Å; I427-I437 HydrophobicContact CG2-CB 4.38Å; I427-I437 HydrophobicContact CG2-CD1 4.01Å; I427-I437 HydrophobicContact CG2-CG1 3.95Å; I427-I437 HydrophobicContact CG2-CG2 3.84Å; F428-I437 HydrophobicContact CB-CD1 4.39Å; F428-I437 HydrophobicContact CD1-CD1 3.83Å; F428-I437 HydrophobicContact CD2-CD1 3.87Å; F428-I437 HydrophobicContact CE1-CD1 4.03Å; F428-I437 HydrophobicContact CE2-CD1 4.08Å; F428-I437 HydrophobicContact CG-CD1 3.75Å; F428-I437 HydrophobicContact CZ-CD1 4.15Å; R430-I437 PolarHBondContact O-N 2.59Å; I437-E449 PolarHBondContact O-N 3.33Å
438	L	98.6	Very high	97.3	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	120.4	-179.2	-179.8	61.6	0	0	0	111.2	R430 N431 A432 Y440 P446 W447 Y448	R430-L438 VanDerWaalsContact O-CB 3.29Å; R430-L438 WeakPolarHBondContact O-CB 3.14Å; R430-L438 PolarHBondContact O-N 3.44Å; N431-L438 CarbonylContact C-O 3.6Å; N431-L438 VanDerWaalsContact CA-O 3.29Å; N431-L438 WeakPolarHBondContact CA-O 3.29Å; A432-L438 PolarHBondContact N-O 3.29Å; L438-Y440 HydrophobicContact CD2-CE2 4.12Å; L438-Y440 HydrophobicContact CG-CE2 3.99Å; L438-P446 HydrophobicContact CD1-CB 3.65Å; L438-W447 WeakPolarHBondContact CA-O 3.03Å; L438-Y448 HydrophobicContact CD1-CD1 4.12Å; L438-Y448 HydrophobicContact CD1-CE1 4.03Å
439	N	97.9	Very high	97.3	Very high	22 Å²	22	43.4 Å²	43.4	12%	0.118	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	173.1	166.8	-97.8	-26.5	0	0	0	110.3	A432 P446 W447 E449 T453 G456 F458	A432-N439 WeakPolarHBondContact CB-OD1 3.46Å; N439-P446 CarbonylContact O-C 3.55Å; N439-P446 WeakPolarHBondContact O-CA 2.85Å; N439-W447 PolarHBondContact N-O 3.02Å; N439-W447 PolarHBondContact O-N 3.49Å; N439-E449 HydrophobicContact CB-CG 3.78Å; N439-E449 WeakPolarHBondContact ND2-CG 3.37Å; N439-E449 PolarHBondContact ND2-OE1 3.08Å; N439-T453 PolarHBondContact ND2-O 3.33Å; N439-G456 WeakPolarHBondContact ND2-CA 3.36Å; N439-F458 HydrophobicContact CB-CE1 4.44Å
440	Y	97.9	Very high	97.3	Very high	100 Å²	100	41.3 Å²	41.3	39%	0.392	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	119.6	177.2	-67.2	-98.4	0	0	0	110.3	L438 L442 S443 V445 P446	L438-Y440 HydrophobicContact CD2-CE2 4.12Å; L438-Y440 HydrophobicContact CG-CE2 3.99Å; Y440-L442 PolarHBondContact O-N 3.03Å; Y440-S443 PolarHBondContact O-N 3.5Å; Y440-V445 CarbonylContact C-O 3.58Å; Y440-V445 VanDerWaalsContact CA-O 3.31Å; Y440-V445 WeakPolarHBondContact CA-O 3.24Å; Y440-P446 HydrophobicContact CD1-CB 4.18Å; Y440-P446 HydrophobicContact CE1-CB 3.95Å
441	F	97.6	Very high	97.3	Very high	10 Å²	10	37.7 Å²	37.7	4%	0.044	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	125.2	172	-175.4	-97.2	0	0	0	109	S443 T444 V445 F458 L497 L500 L511 V514	F441-S443 PolarHBondContact O-N 3.05Å; F441-S443 VanDerWaalsContact O-N 3.09Å; F441-T444 PolarHBondContact O-N 3.46Å; F441-T444 PolarHBondContact O-OG1 3.05Å; F441-V445 HydrophobicContact CB-CB 4.28Å; F441-V445 PolarHBondContact N-O 3.39Å; F441-V445 PolarHBondContact O-N 3.06Å; F441-V445 VanDerWaalsContact O-N 3.09Å; F441-F458 HydrophobicContact CB-CD1 4.05Å; F441-F458 HydrophobicContact CB-CE1 3.61Å; F441-F458 HydrophobicContact CB-CZ 4Å; F441-F458 HydrophobicContact CD2-CD1 4.11Å; F441-F458 AromaticContact CD2-CD2 3.87Å; F441-F458 HydrophobicContact CD2-CD2 3.87Å; F441-F458 HydrophobicContact CD2-CE1 4.06Å; F441-F458 AromaticContact CD2-CE2 3.8Å; F441-F458 HydrophobicContact CD2-CE2 3.8Å; F441-F458 HydrophobicContact CD2-CG 4.03Å; F441-F458 AromaticContact CD2-CZ 3.91Å; F441-F458 HydrophobicContact CD2-CZ 3.91Å; F441-F458 HydrophobicContact CE2-CD2 4.46Å; F441-F458 HydrophobicContact CG-CE1 4.36Å; F441-F458 HydrophobicContact CG-CZ 4.44Å; F441-L497 HydrophobicContact CB-CD1 3.71Å; F441-L497 HydrophobicContact CD1-CD1 4.08Å; F441-L497 HydrophobicContact CD1-CD2 3.5Å; F441-L497 HydrophobicContact CD1-CG 4.48Å; F441-L497 HydrophobicContact CD2-CD1 4.44Å; F441-L497 HydrophobicContact CE1-CD2 3.84Å; F441-L497 HydrophobicContact CG-CD1 3.83Å; F441-L497 HydrophobicContact CG-CD2 4.13Å; F441-L500 HydrophobicContact CE1-CD1 3.7Å; F441-L500 HydrophobicContact CZ-CD1 3.67Å; F441-L511 HydrophobicContact CD2-CD1 4.26Å; F441-L511 HydrophobicContact CE2-CB 3.98Å; F441-L511 HydrophobicContact CE2-CD1 3.85Å; F441-L511 HydrophobicContact CZ-CD1 4.25Å; F441-V514 HydrophobicContact CE2-CB 3.99Å; F441-V514 HydrophobicContact CE2-CG1 3.99Å; F441-V514 HydrophobicContact CE2-CG2 4.09Å; F441-V514 HydrophobicContact CZ-CB 4.22Å; F441-V514 HydrophobicContact CZ-CG1 3.85Å; F441-V514 HydrophobicContact CZ-CG2 4.1Å
442	L	94.1	Very high	97.3	Very high	119 Å²	119	35.3 Å²	35.3	62%	0.623	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.7	38	-172.7	-57.4	177.4	0	0	0	112.7	Y440 T444 V514	Y440-L442 PolarHBondContact O-N 3.03Å; L442-T444 PolarHBondContact O-N 3.32Å; L442-T444 PolarHBondContact O-OG1 3.38Å; L442-V514 HydrophobicContact CD2-CG1 4.23Å
443	S	94.1	Very high	97.3	Very high	113 Å²	113	34.9 Å²	34.9	79%	0.79	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	11.8	-180	-49.2	0	0	0	0	115.6	Y440 F441	Y440-S443 PolarHBondContact O-N 3.5Å; F441-S443 PolarHBondContact O-N 3.05Å; F441-S443 VanDerWaalsContact O-N 3.09Å
444	T	95.9	Very high	97.2	Very high	101 Å²	101	36.6 Å²	36.6	62%	0.62	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.6	-46.7	-171.1	49	0	0	0	0	113.3	F441 L442	F441-T444 PolarHBondContact O-N 3.46Å; F441-T444 PolarHBondContact O-OG1 3.05Å; L442-T444 PolarHBondContact O-N 3.32Å; L442-T444 PolarHBondContact O-OG1 3.38Å
445	V	98.1	Very high	97.1	Very high	29 Å²	29	36 Å²	36	18%	0.176	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.9	-174.2	-177	0	0	0	0	110.4	Y440 F441 A496 L497	Y440-V445 CarbonylContact C-O 3.58Å; Y440-V445 VanDerWaalsContact CA-O 3.31Å; Y440-V445 WeakPolarHBondContact CA-O 3.24Å; F441-V445 HydrophobicContact CB-CB 4.28Å; F441-V445 PolarHBondContact N-O 3.39Å; F441-V445 PolarHBondContact O-N 3.06Å; F441-V445 VanDerWaalsContact O-N 3.09Å; V445-A496 HydrophobicContact CG1-CB 4.44Å; V445-L497 HydrophobicContact CB-CD1 4.28Å; V445-L497 HydrophobicContact CB-CD2 4.41Å; V445-L497 HydrophobicContact CB-CG 4.48Å; V445-L497 HydrophobicContact CG1-CD1 3.88Å; V445-L497 HydrophobicContact CG1-CD2 4.35Å; V445-L497 HydrophobicContact CG1-CG 3.95Å; V445-L497 HydrophobicContact CG2-CD2 4.34Å
446	P	98.3	Very high	97.1	Very high	21 Å²	21	34.5 Å²	34.5	14%	0.136	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	144.7	-177.6	24.2	-29	0	0	0	112.2	L438 N439 Y440 R489 S493	L438-P446 HydrophobicContact CD1-CB 3.65Å; N439-P446 CarbonylContact O-C 3.55Å; N439-P446 WeakPolarHBondContact O-CA 2.85Å; Y440-P446 HydrophobicContact CD1-CB 4.18Å; Y440-P446 HydrophobicContact CE1-CB 3.95Å; P446-R489 HydrophobicContact CB-CG 4.35Å; P446-R489 HydrophobicContact CG-CG 3.58Å; P446-S493 WeakPolarHBondContact CG-OG 3.43Å; P446-S493 WeakPolarHBondContact O-CB 3.49Å; P446-S493 PolarHBondContact O-OG 3.29Å
447	W	98.8	Very high	97	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	138.6	179.5	-164	-90.9	0	0	0	111.5	L438 N439 F458 L460 F463 L494 L497 F501	L438-W447 WeakPolarHBondContact CA-O 3.03Å; N439-W447 PolarHBondContact N-O 3.02Å; N439-W447 PolarHBondContact O-N 3.49Å; W447-F458 HydrophobicContact CB-CD1 3.72Å; W447-F458 HydrophobicContact CB-CE1 4.05Å; W447-F458 AromaticContact CD1-CD1 3.93Å; W447-F458 HydrophobicContact CD2-CB 4.48Å; W447-F458 HydrophobicContact CD2-CD1 4.24Å; W447-F458 HydrophobicContact CG-CB 4.5Å; W447-F458 AromaticContact CG-CD1 3.69Å; W447-F458 HydrophobicContact CG-CD1 3.69Å; W447-F458 HydrophobicContact CG-CE1 4.49Å; W447-L460 HydrophobicContact CH2-CD1 4.18Å; W447-F463 AromaticContact CD1-CD2 3.83Å; W447-F463 HydrophobicContact CD2-CB 4.42Å; W447-F463 HydrophobicContact CD2-CD1 4.28Å; W447-F463 AromaticContact CD2-CD2 3.58Å; W447-F463 HydrophobicContact CD2-CD2 3.58Å; W447-F463 HydrophobicContact CD2-CE1 4.43Å; W447-F463 AromaticContact CD2-CE2 3.8Å; W447-F463 HydrophobicContact CD2-CE2 3.8Å; W447-F463 AromaticContact CD2-CG 3.84Å; W447-F463 HydrophobicContact CD2-CG 3.84Å; W447-F463 HydrophobicContact CD2-CZ 4.21Å; W447-F463 VanDerWaalsContact CE2-CB 3.49Å; W447-F463 AromaticContact CE2-CD1 3.99Å; W447-F463 AromaticContact CE2-CD2 3.51Å; W447-F463 AromaticContact CE2-CG 3.38Å; W447-F463 HydrophobicContact CE3-CD1 4.17Å; W447-F463 HydrophobicContact CE3-CD2 4.1Å; W447-F463 AromaticContact CE3-CE1 4Å; W447-F463 HydrophobicContact CE3-CE1 4Å; W447-F463 AromaticContact CE3-CE2 3.98Å; W447-F463 HydrophobicContact CE3-CE2 3.98Å; W447-F463 HydrophobicContact CE3-CG 4.2Å; W447-F463 AromaticContact CE3-CZ 3.9Å; W447-F463 HydrophobicContact CE3-CZ 3.9Å; W447-F463 AromaticContact CG-CD2 3.84Å; W447-F463 HydrophobicContact CG-CD2 3.84Å; W447-F463 HydrophobicContact CG-CE2 4.03Å; W447-F463 HydrophobicContact CH2-CB 4.15Å; W447-F463 AromaticContact CH2-CD1 3.56Å; W447-F463 HydrophobicContact CH2-CD1 3.56Å; W447-F463 HydrophobicContact CH2-CE1 4.02Å; W447-F463 AromaticContact CH2-CG 3.83Å; W447-F463 HydrophobicContact CH2-CG 3.83Å; W447-F463 HydrophobicContact CZ2-CB 3.34Å; W447-F463 AromaticContact CZ2-CD1 3.66Å; W447-F463 HydrophobicContact CZ2-CD1 3.66Å; W447-F463 HydrophobicContact CZ2-CD2 4.04Å; W447-F463 HydrophobicContact CZ2-CE1 4.42Å; W447-F463 AromaticContact CZ2-CG 3.41Å; W447-F463 HydrophobicContact CZ2-CG 3.41Å; W447-F463 VanDerWaalsContact CZ2-CG 3.41Å; W447-F463 AromaticContact CZ3-CD1 3.82Å; W447-F463 HydrophobicContact CZ3-CD1 3.82Å; W447-F463 AromaticContact CZ3-CE1 3.78Å; W447-F463 HydrophobicContact CZ3-CE1 3.78Å; W447-F463 HydrophobicContact CZ3-CG 4.19Å; W447-F463 HydrophobicContact CZ3-CZ 4.16Å; W447-F463 AromaticContact NE1-CD2 3.6Å; W447-F463 AromaticContact NE1-CG 3.74Å; W447-L494 HydrophobicContact CH2-CD1 4.36Å; W447-L497 HydrophobicContact CE3-CD1 3.72Å; W447-L497 HydrophobicContact CZ3-CB 4.12Å; W447-L497 HydrophobicContact CZ3-CD1 3.85Å; W447-L497 HydrophobicContact CZ3-CG 4.46Å; W447-F501 AromaticContact CH2-CE2 3.71Å; W447-F501 HydrophobicContact CH2-CE2 3.71Å; W447-F501 AromaticContact CH2-CZ 3.75Å; W447-F501 HydrophobicContact CH2-CZ 3.75Å; W447-F501 HydrophobicContact CZ2-CE2 4.31Å; W447-F501 AromaticContact CZ2-CZ 3.87Å; W447-F501 HydrophobicContact CZ2-CZ 3.87Å; W447-F501 HydrophobicContact CZ3-CE2 4.42Å
448	Y	98.8	Very high	97	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	105.7	178.4	-51	-44.7	0	0	0	109.1	A395 F428 L438 F463 L467 L470 L486 R489	A395-Y448 WeakPolarHBondContact CB-O 3.13Å; F428-Y448 HydrophobicContact CB-CD1 4.38Å; F428-Y448 HydrophobicContact CB-CE1 4.16Å; F428-Y448 AromaticContact CD1-CD1 3.75Å; F428-Y448 HydrophobicContact CD1-CD1 3.75Å; F428-Y448 AromaticContact CD1-CD2 3.6Å; F428-Y448 HydrophobicContact CD1-CD2 3.6Å; F428-Y448 HydrophobicContact CD1-CE1 4.02Å; F428-Y448 AromaticContact CD1-CE2 3.88Å; F428-Y448 HydrophobicContact CD1-CE2 3.88Å; F428-Y448 AromaticContact CD1-CG 3.54Å; F428-Y448 HydrophobicContact CD1-CG 3.54Å; F428-Y448 AromaticContact CE1-CD2 3.86Å; F428-Y448 HydrophobicContact CE1-CD2 3.86Å; F428-Y448 HydrophobicContact CE1-CE2 4.4Å; F428-Y448 AromaticContact CE1-CG 3.99Å; F428-Y448 HydrophobicContact CE1-CG 3.99Å; F428-Y448 WeakPolarHBondContact O-CE1 3.48Å; L438-Y448 HydrophobicContact CD1-CD1 4.12Å; L438-Y448 HydrophobicContact CD1-CE1 4.03Å; Y448-F463 HydrophobicContact CD2-CD2 4.14Å; Y448-F463 AromaticContact CD2-CE2 3.55Å; Y448-F463 HydrophobicContact CD2-CE2 3.55Å; Y448-F463 HydrophobicContact CD2-CZ 4.28Å; Y448-F463 HydrophobicContact CE2-CE2 4.32Å; Y448-F463 HydrophobicContact CG-CD2 4.23Å; Y448-F463 AromaticContact CG-CE2 3.8Å; Y448-F463 HydrophobicContact CG-CE2 3.8Å; Y448-F463 VanDerWaalsContact N-CD2 3.28Å; Y448-F463 WeakPolarHBondContact O-CD2 3.4Å; Y448-L467 HydrophobicContact CD2-CD2 3.97Å; Y448-L467 HydrophobicContact CE2-CD2 3.89Å; Y448-L470 HydrophobicContact CD2-CD1 4.35Å; Y448-L470 HydrophobicContact CE2-CD1 3.81Å; Y448-L486 WeakPolarHBondContact OH-CA 3.39Å; Y448-L486 PolarHBondContact OH-O 2.92Å; Y448-R489 PolarHBondContact OH-NE 3.5Å
449	E	98.6	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.			trans	-78	127.9	-169.2	-68.8	-80.4	-163.8	0	0	112.5	A395 I437 N439 Y451 P452 G456 T457 F458	A395-E449 WeakPolarHBondContact CB-O 3.38Å; A395-E449 PolarHBondContact N-O 3.47Å; I437-E449 PolarHBondContact O-N 3.33Å; N439-E449 HydrophobicContact CB-CG 3.78Å; N439-E449 WeakPolarHBondContact ND2-CG 3.37Å; N439-E449 PolarHBondContact ND2-OE1 3.08Å; E449-Y451 PolarHBondContact O-N 3.09Å; E449-P452 HydrophobicContact CB-CB 4.09Å; E449-G456 WeakPolarHBondContact OE1-CA 3.24Å; E449-T457 PolarHBondContact OE1-N 3.05Å; E449-T457 PolarHBondContact OE2-N 3.35Å; E449-T457 PolarHBondContact OE2-OG1 3.2Å; E449-T457 VanDerWaalsContact OE2-OG1 3.06Å; E449-F458 PolarHBondContact OE1-N 2.88Å; E449-F458 PolarHBondContact OE2-N 3.3Å
450	E	98.5	Very high	97.1	Very high	7 Å²	7	33.8 Å²	33.8	3%	0.033	19%	0.19	C	C	.	.	S	Bend	trans	-60.7	-35.4	163.7	-166.8	177	151	0	0	110.5	S394 M396 V459 N461 G462	S394-E450 WeakPolarHBondContact CA-O 3.32Å; S394-E450 VanDerWaalsContact CB-O 3.26Å; S394-E450 WeakPolarHBondContact CB-O 3.38Å; S394-E450 WeakPolarHBondContact OG-CG 3.15Å; S394-E450 PolarHBondContact OG-O 2.88Å; M396-E450 HydrophobicContact CB-CG 3.81Å; M396-E450 VanDerWaalsContact SD-CD 3.5Å; M396-E450 HydrophobicContact SD-CG 4.23Å; E450-V459 HydrophobicContact CB-CB 4.12Å; E450-V459 HydrophobicContact CB-CG1 4.39Å; E450-V459 VanDerWaalsContact OE2-CG1 3.29Å; E450-V459 WeakPolarHBondContact OE2-CG1 3.34Å; E450-N461 PolarHBondContact OE2-ND2 2.94Å; E450-G462 WeakPolarHBondContact OE2-CA 3.47Å; E450-G462 PolarHBondContact OE2-N 3.37Å
451	Y	97.8	Very high	97.1	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.027	17%	0.173	C	C	.	.	S	Bend	trans	-131.9	98.3	-179.7	-52	-53.2	0	0	0	108.8	R379 F381 L388 W392 E449 T453 V459	R379-Y451 VanDerWaalsContact CZ-OH 3.28Å; R379-Y451 PolarHBondContact NH1-OH 3.2Å; R379-Y451 PolarHBondContact NH2-OH 3.45Å; F381-Y451 AromaticContact CE1-CD1 3.97Å; F381-Y451 HydrophobicContact CE1-CD1 3.97Å; F381-Y451 AromaticContact CE1-CD2 3.51Å; F381-Y451 HydrophobicContact CE1-CD2 3.51Å; F381-Y451 HydrophobicContact CE1-CE2 4.06Å; F381-Y451 AromaticContact CE1-CG 3.45Å; F381-Y451 HydrophobicContact CE1-CG 3.45Å; F381-Y451 VanDerWaalsContact CE1-CG 3.45Å; F381-Y451 AromaticContact CZ-CD1 3.81Å; F381-Y451 HydrophobicContact CZ-CD1 3.81Å; F381-Y451 HydrophobicContact CZ-CD2 4.07Å; F381-Y451 AromaticContact CZ-CG 3.5Å; F381-Y451 HydrophobicContact CZ-CG 3.5Å; F381-Y451 VanDerWaalsContact CZ-CG 3.5Å; L388-Y451 HydrophobicContact CD1-CD1 4.48Å; W392-Y451 AromaticContact CH2-CD1 3.84Å; W392-Y451 HydrophobicContact CH2-CD1 3.84Å; W392-Y451 AromaticContact CH2-CE1 3.94Å; W392-Y451 HydrophobicContact CH2-CE1 3.94Å; W392-Y451 AromaticContact CZ3-CD1 3.73Å; W392-Y451 HydrophobicContact CZ3-CD1 3.73Å; W392-Y451 HydrophobicContact CZ3-CE1 4.12Å; E449-Y451 PolarHBondContact O-N 3.09Å; Y451-T453 PolarHBondContact O-N 3.07Å; Y451-V459 HydrophobicContact CD2-CG2 3.81Å; Y451-V459 HydrophobicContact CE2-CG2 3.99Å
452	P	97.6	Very high	97.1	Very high	11 Å²	11	28.7 Å²	28.7	7%	0.071	17%	0.17	C	C	.	.			trans	-77.6	58.6	-170	33.2	-39	0	0	0	112.8	L388 W392 Y393 A432 G436 E449	L388-P452 HydrophobicContact CD2-CG 4.22Å; L388-P452 WeakPolarHBondContact CD2-O 3.39Å; W392-P452 HydrophobicContact CB-CG 4.36Å; Y393-P452 WeakPolarHBondContact O-CD 3.37Å; Y393-P452 VanDerWaalsContact O-CG 3.25Å; Y393-P452 WeakPolarHBondContact O-CG 3.33Å; A432-P452 HydrophobicContact CB-CB 3.72Å; G436-P452 WeakPolarHBondContact O-CB 3.06Å; E449-P452 HydrophobicContact CB-CB 4.09Å
453	T	96.6	Very high	97.4	Very high	2 Å²	2	23 Å²	23	1%	0.012	14%	0.141	C	C	.	.			trans	-77.8	165.6	177.2	58.8	0	0	0	0	111.3	F381 L386 L388 N439 Y451 P455 G456 T457	F381-T453 HydrophobicContact CD2-CG2 4.35Å; F381-T453 HydrophobicContact CE2-CG2 4.02Å; L386-T453 HydrophobicContact CB-CG2 4.08Å; L388-T453 HydrophobicContact CD1-CG2 4.16Å; L388-T453 HydrophobicContact CD2-CG2 3.72Å; L388-T453 HydrophobicContact CG-CG2 3.66Å; N439-T453 PolarHBondContact ND2-O 3.33Å; Y451-T453 PolarHBondContact O-N 3.07Å; T453-P455 CarbonylContact C-O 3.55Å; T453-P455 WeakPolarHBondContact CB-O 3.03Å; T453-P455 CarbonylContact O-C 3.52Å; T453-P455 VanDerWaalsContact O-C 3.28Å; T453-P455 VanDerWaalsContact O-O 3.13Å; T453-P455 PolarHBondContact OG1-O 2.76Å; T453-G456 PolarHBondContact O-N 3.47Å; T453-T457 WeakPolarHBondContact OG1-CG2 3.05Å
454	I	93.7	Very high	97.6	Very high	118 Å²	118	17.7 Å²	17.7	61%	0.605	10%	0.103	S	C	*	.	S	Bend	trans	-123.4	118.6	170.5	-52	170.8	0	0	0	107.9
455	P	94.3	Very high	97.7	Very high	55 Å²	55	13.2 Å²	13.2	36%	0.357	8%	0.075	S	C	.	.	S	Bend	cis	-64.6	168.1	-8.2	30.7	-37.6	0	0	0	113.2	L386 T453 A515 L516	L386-P455 HydrophobicContact CD2-CG 4.34Å; T453-P455 CarbonylContact C-O 3.55Å; T453-P455 WeakPolarHBondContact CB-O 3.03Å; T453-P455 CarbonylContact O-C 3.52Å; T453-P455 VanDerWaalsContact O-C 3.28Å; T453-P455 VanDerWaalsContact O-O 3.13Å; T453-P455 PolarHBondContact OG1-O 2.76Å; P455-A515 HydrophobicContact CB-CB 3.8Å; P455-A515 HydrophobicContact CG-CB 3.99Å; P455-L516 HydrophobicContact CG-CD2 3.84Å
456	G	95.5	Very high	97.8	Very high	5 Å²	5	11.9 Å²	11.9	5%	0.052	7%	0.067	C	C	.	.			trans	-66.3	155.5	-179.4	0	0	0	0	0	114.9	N439 E449 T453 F458	N439-G456 WeakPolarHBondContact ND2-CA 3.36Å; E449-G456 WeakPolarHBondContact OE1-CA 3.24Å; T453-G456 PolarHBondContact O-N 3.47Å; G456-F458 VanDerWaalsContact O-CE2 3.28Å; G456-F458 WeakPolarHBondContact O-CE2 3.33Å
457	T	96.7	Very high	97.8	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.012	6%	0.06	C	C	.	.			trans	-98.5	-31	178	57.2	0	0	0	0	113.1	L386 E449 T453 D510 L511 R512	L386-T457 HydrophobicContact CD1-CG2 3.73Å; E449-T457 PolarHBondContact OE1-N 3.05Å; E449-T457 PolarHBondContact OE2-N 3.35Å; E449-T457 PolarHBondContact OE2-OG1 3.2Å; E449-T457 VanDerWaalsContact OE2-OG1 3.06Å; T453-T457 WeakPolarHBondContact OG1-CG2 3.05Å; T457-D510 WeakPolarHBondContact O-CB 3.39Å; T457-L511 CarbonylContact O-C 3.55Å; T457-L511 PolarHBondContact O-N 2.87Å; T457-L511 VanDerWaalsContact O-N 3.1Å; T457-R512 HydrophobicContact CG2-CB 4.36Å; T457-R512 PolarHBondContact O-N 3.2Å
458	F	98	Very high	97.8	Very high	6 Å²	6	10.9 Å²	10.9	3%	0.026	6%	0.06	C	C	.	.			trans	59.3	47.7	179	-43.8	-79.2	0	0	0	113.2	N439 F441 W447 E449 G456 L460 F501 D510 L511	N439-F458 HydrophobicContact CB-CE1 4.44Å; F441-F458 HydrophobicContact CB-CD1 4.05Å; F441-F458 HydrophobicContact CB-CE1 3.61Å; F441-F458 HydrophobicContact CB-CZ 4Å; F441-F458 HydrophobicContact CD2-CD1 4.11Å; F441-F458 AromaticContact CD2-CD2 3.87Å; F441-F458 HydrophobicContact CD2-CD2 3.87Å; F441-F458 HydrophobicContact CD2-CE1 4.06Å; F441-F458 AromaticContact CD2-CE2 3.8Å; F441-F458 HydrophobicContact CD2-CE2 3.8Å; F441-F458 HydrophobicContact CD2-CG 4.03Å; F441-F458 AromaticContact CD2-CZ 3.91Å; F441-F458 HydrophobicContact CD2-CZ 3.91Å; F441-F458 HydrophobicContact CE2-CD2 4.46Å; F441-F458 HydrophobicContact CG-CE1 4.36Å; F441-F458 HydrophobicContact CG-CZ 4.44Å; W447-F458 HydrophobicContact CB-CD1 3.72Å; W447-F458 HydrophobicContact CB-CE1 4.05Å; W447-F458 AromaticContact CD1-CD1 3.93Å; W447-F458 HydrophobicContact CD2-CB 4.48Å; W447-F458 HydrophobicContact CD2-CD1 4.24Å; W447-F458 HydrophobicContact CG-CB 4.5Å; W447-F458 AromaticContact CG-CD1 3.69Å; W447-F458 HydrophobicContact CG-CD1 3.69Å; W447-F458 HydrophobicContact CG-CE1 4.49Å; E449-F458 PolarHBondContact OE1-N 2.88Å; E449-F458 PolarHBondContact OE2-N 3.3Å; G456-F458 VanDerWaalsContact O-CE2 3.28Å; G456-F458 WeakPolarHBondContact O-CE2 3.33Å; F458-L460 PolarHBondContact O-N 3.22Å; F458-F501 WeakPolarHBondContact O-CE1 3.34Å; F458-F501 WeakPolarHBondContact O-CZ 3.48Å; F458-D510 WeakPolarHBondContact O-CA 3.35Å; F458-L511 HydrophobicContact CB-CB 3.9Å; F458-L511 HydrophobicContact CB-CD1 4.5Å; F458-L511 HydrophobicContact CB-CG 4.31Å; F458-L511 HydrophobicContact CD2-CB 4.22Å; F458-L511 HydrophobicContact CG-CB 4.38Å; F458-L511 PolarHBondContact O-N 3.05Å
459	V	98.5	Very high	97.8	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.012	6%	0.06	C	C	.	.			trans	-66.7	124.1	178.1	177.1	0	0	0	0	110.9	E450 Y451 N461 F463 Y509 D510	E450-V459 HydrophobicContact CB-CB 4.12Å; E450-V459 HydrophobicContact CB-CG1 4.39Å; E450-V459 VanDerWaalsContact OE2-CG1 3.29Å; E450-V459 WeakPolarHBondContact OE2-CG1 3.34Å; Y451-V459 HydrophobicContact CD2-CG2 3.81Å; Y451-V459 HydrophobicContact CE2-CG2 3.99Å; V459-N461 WeakPolarHBondContact CG1-OD1 3.47Å; V459-F463 WeakPolarHBondContact O-CB 3.14Å; V459-F463 PolarHBondContact O-N 3.02Å; V459-Y509 HydrophobicContact CG1-CD1 4.47Å; V459-Y509 HydrophobicContact CG1-CE1 3.86Å; V459-Y509 HydrophobicContact CG1-CE2 4.1Å; V459-Y509 HydrophobicContact CG2-CE1 4.1Å; V459-D510 HydrophobicContact CB-CB 4.45Å; V459-D510 HydrophobicContact CG2-CB 3.91Å
460	L	98.8	Very high	97.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-68.5	-53.4	-172.1	-175.4	58.2	0	0	0	112.9	W447 F458 G462 F463 I464 L494 F501 Y509 H531 W554	W447-L460 HydrophobicContact CH2-CD1 4.18Å; F458-L460 PolarHBondContact O-N 3.22Å; L460-G462 VanDerWaalsContact C-N 3.31Å; L460-G462 PolarHBondContact O-N 3.42Å; L460-F463 PolarHBondContact O-N 3.04Å; L460-I464 HydrophobicContact CD1-CD1 3.82Å; L460-I464 HydrophobicContact CD1-CG1 4.23Å; L460-I464 HydrophobicContact CG-CD1 3.98Å; L460-I464 PolarHBondContact O-N 2.94Å; L460-L494 HydrophobicContact CD1-CD1 3.81Å; L460-F501 HydrophobicContact CB-CD1 3.8Å; L460-F501 HydrophobicContact CB-CE1 3.57Å; L460-F501 HydrophobicContact CB-CG 4.44Å; L460-F501 HydrophobicContact CB-CZ 4.02Å; L460-F501 HydrophobicContact CD1-CD1 4.41Å; L460-F501 HydrophobicContact CD1-CD2 4.04Å; L460-F501 HydrophobicContact CD1-CE1 4.31Å; L460-F501 HydrophobicContact CD1-CE2 3.91Å; L460-F501 HydrophobicContact CD1-CG 4.27Å; L460-F501 HydrophobicContact CD1-CZ 4.03Å; L460-F501 HydrophobicContact CD2-CB 4.02Å; L460-F501 HydrophobicContact CD2-CD1 3.92Å; L460-F501 HydrophobicContact CD2-CD2 4.4Å; L460-F501 HydrophobicContact CD2-CE1 4.48Å; L460-F501 HydrophobicContact CD2-CG 3.87Å; L460-F501 HydrophobicContact CG-CD1 4.26Å; L460-F501 HydrophobicContact CG-CE1 4.32Å; L460-F501 HydrophobicContact CG-CG 4.43Å; L460-Y509 PolarHBondContact N-O 3.25Å; L460-H531 HydrophobicContact CD2-CB 4.29Å; L460-W554 HydrophobicContact CD2-CH2 3.79Å; L460-W554 HydrophobicContact CD2-CZ3 4.15Å
461	N	98.5	Very high	97.8	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-62.2	-42	-174.4	68.3	-74.1	0	0	0	111.8	E450 V459 F463 I464 Y465 Y509 V530 Q534	E450-N461 PolarHBondContact OE2-ND2 2.94Å; V459-N461 WeakPolarHBondContact CG1-OD1 3.47Å; N461-F463 VanDerWaalsContact C-N 3.33Å; N461-I464 PolarHBondContact O-N 3.04Å; N461-Y465 WeakPolarHBondContact O-CD2 3.47Å; N461-Y465 PolarHBondContact O-N 2.88Å; N461-Y509 WeakPolarHBondContact OD1-CE2 3.47Å; N461-Y509 PolarHBondContact OD1-OH 2.88Å; N461-V530 HydrophobicContact CB-CG1 4.19Å; N461-Q534 VanDerWaalsContact CA-OE1 3.26Å; N461-Q534 PolarHBondContact O-NE2 3.39Å
462	G	98.6	Very high	97.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.6	-39	-179.3	0	0	0	0	0	112	E450 L460 S466	E450-G462 WeakPolarHBondContact OE2-CA 3.47Å; E450-G462 PolarHBondContact OE2-N 3.37Å; L460-G462 VanDerWaalsContact C-N 3.31Å; L460-G462 PolarHBondContact O-N 3.42Å; G462-S466 WeakPolarHBondContact O-CB 3.34Å; G462-S466 PolarHBondContact O-N 3.46Å
463	F	98.9	Very high	97.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.8	-51.8	173.7	-174.5	-103.9	0	0	0	111.6	W447 Y448 V459 L460 N461 Y465 S466 L467 G490 L494	W447-F463 AromaticContact CD1-CD2 3.83Å; W447-F463 HydrophobicContact CD2-CB 4.42Å; W447-F463 HydrophobicContact CD2-CD1 4.28Å; W447-F463 AromaticContact CD2-CD2 3.58Å; W447-F463 HydrophobicContact CD2-CD2 3.58Å; W447-F463 HydrophobicContact CD2-CE1 4.43Å; W447-F463 AromaticContact CD2-CE2 3.8Å; W447-F463 HydrophobicContact CD2-CE2 3.8Å; W447-F463 AromaticContact CD2-CG 3.84Å; W447-F463 HydrophobicContact CD2-CG 3.84Å; W447-F463 HydrophobicContact CD2-CZ 4.21Å; W447-F463 VanDerWaalsContact CE2-CB 3.49Å; W447-F463 AromaticContact CE2-CD1 3.99Å; W447-F463 AromaticContact CE2-CD2 3.51Å; W447-F463 AromaticContact CE2-CG 3.38Å; W447-F463 HydrophobicContact CE3-CD1 4.17Å; W447-F463 HydrophobicContact CE3-CD2 4.1Å; W447-F463 AromaticContact CE3-CE1 4Å; W447-F463 HydrophobicContact CE3-CE1 4Å; W447-F463 AromaticContact CE3-CE2 3.98Å; W447-F463 HydrophobicContact CE3-CE2 3.98Å; W447-F463 HydrophobicContact CE3-CG 4.2Å; W447-F463 AromaticContact CE3-CZ 3.9Å; W447-F463 HydrophobicContact CE3-CZ 3.9Å; W447-F463 AromaticContact CG-CD2 3.84Å; W447-F463 HydrophobicContact CG-CD2 3.84Å; W447-F463 HydrophobicContact CG-CE2 4.03Å; W447-F463 HydrophobicContact CH2-CB 4.15Å; W447-F463 AromaticContact CH2-CD1 3.56Å; W447-F463 HydrophobicContact CH2-CD1 3.56Å; W447-F463 HydrophobicContact CH2-CE1 4.02Å; W447-F463 AromaticContact CH2-CG 3.83Å; W447-F463 HydrophobicContact CH2-CG 3.83Å; W447-F463 HydrophobicContact CZ2-CB 3.34Å; W447-F463 AromaticContact CZ2-CD1 3.66Å; W447-F463 HydrophobicContact CZ2-CD1 3.66Å; W447-F463 HydrophobicContact CZ2-CD2 4.04Å; W447-F463 HydrophobicContact CZ2-CE1 4.42Å; W447-F463 AromaticContact CZ2-CG 3.41Å; W447-F463 HydrophobicContact CZ2-CG 3.41Å; W447-F463 VanDerWaalsContact CZ2-CG 3.41Å; W447-F463 AromaticContact CZ3-CD1 3.82Å; W447-F463 HydrophobicContact CZ3-CD1 3.82Å; W447-F463 AromaticContact CZ3-CE1 3.78Å; W447-F463 HydrophobicContact CZ3-CE1 3.78Å; W447-F463 HydrophobicContact CZ3-CG 4.19Å; W447-F463 HydrophobicContact CZ3-CZ 4.16Å; W447-F463 AromaticContact NE1-CD2 3.6Å; W447-F463 AromaticContact NE1-CG 3.74Å; Y448-F463 HydrophobicContact CD2-CD2 4.14Å; Y448-F463 AromaticContact CD2-CE2 3.55Å; Y448-F463 HydrophobicContact CD2-CE2 3.55Å; Y448-F463 HydrophobicContact CD2-CZ 4.28Å; Y448-F463 HydrophobicContact CE2-CE2 4.32Å; Y448-F463 HydrophobicContact CG-CD2 4.23Å; Y448-F463 AromaticContact CG-CE2 3.8Å; Y448-F463 HydrophobicContact CG-CE2 3.8Å; Y448-F463 VanDerWaalsContact N-CD2 3.28Å; Y448-F463 WeakPolarHBondContact O-CD2 3.4Å; V459-F463 WeakPolarHBondContact O-CB 3.14Å; V459-F463 PolarHBondContact O-N 3.02Å; L460-F463 PolarHBondContact O-N 3.04Å; N461-F463 VanDerWaalsContact C-N 3.33Å; F463-Y465 PolarHBondContact O-N 3.29Å; F463-S466 WeakPolarHBondContact O-CA 3.41Å; F463-S466 VanDerWaalsContact O-CB 3.32Å; F463-S466 WeakPolarHBondContact O-CB 3.3Å; F463-S466 PolarHBondContact O-N 2.85Å; F463-S466 PolarHBondContact O-OG 3.09Å; F463-L467 HydrophobicContact CD1-CD1 4.09Å; F463-L467 HydrophobicContact CD1-CG 4.35Å; F463-L467 HydrophobicContact CE1-CD1 3.69Å; F463-L467 HydrophobicContact CE1-CD2 4.3Å; F463-L467 HydrophobicContact CE1-CG 4.14Å; F463-L467 HydrophobicContact CZ-CD1 4.34Å; F463-L467 HydrophobicContact CZ-CD2 4.17Å; F463-L467 HydrophobicContact CZ-CG 4.49Å; F463-L467 PolarHBondContact O-N 3.35Å; F463-G490 WeakPolarHBondContact CE1-O 3.44Å; F463-G490 WeakPolarHBondContact CZ-O 3.49Å; F463-L494 HydrophobicContact CD1-CD1 4.35Å; F463-L494 HydrophobicContact CE1-CB 3.98Å; F463-L494 HydrophobicContact CE1-CD1 4.48Å
464	I	98.9	Very high	98	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.1	-42.6	-178.4	-61.5	169.7	0	0	0	111.5	L460 N461 S466 L467 I468 L494 Q534 L535 L538	L460-I464 HydrophobicContact CD1-CD1 3.82Å; L460-I464 HydrophobicContact CD1-CG1 4.23Å; L460-I464 HydrophobicContact CG-CD1 3.98Å; L460-I464 PolarHBondContact O-N 2.94Å; N461-I464 PolarHBondContact O-N 3.04Å; I464-S466 PolarHBondContact O-N 3.01Å; I464-L467 WeakPolarHBondContact O-CB 3.4Å; I464-L467 PolarHBondContact O-N 3.43Å; I464-I468 WeakPolarHBondContact O-CG1 3.19Å; I464-I468 PolarHBondContact O-N 3.38Å; I464-L494 HydrophobicContact CD1-CD1 4.35Å; I464-L494 HydrophobicContact CD1-CD2 4.43Å; I464-L494 HydrophobicContact CG1-CD1 4.17Å; I464-L494 HydrophobicContact CG1-CD2 4.06Å; I464-Q534 HydrophobicContact CB-CB 4.32Å; I464-Q534 HydrophobicContact CB-CG 4.43Å; I464-Q534 HydrophobicContact CD1-CB 3.99Å; I464-Q534 HydrophobicContact CG2-CB 3.77Å; I464-Q534 HydrophobicContact CG2-CG 4.03Å; I464-L535 HydrophobicContact CD1-CD2 4.37Å; I464-L538 HydrophobicContact CD1-CD1 4.37Å; I464-L538 HydrophobicContact CG1-CD1 4.25Å; I464-L538 HydrophobicContact CG2-CD1 3.65Å; I464-L538 HydrophobicContact CG2-CD2 4.4Å; I464-L538 HydrophobicContact CG2-CG 3.99Å
465	Y	98.8	Very high	98.1	Very high	8 Å²	8	9.4 Å²	9.4	3%	0.031	5%	0.053	C	C	.	.	H	α-helix	trans	-59.8	-34.8	174.2	-80.9	-58.2	0	0	0	112.6	F131 F134 M396 H400 N461 F463 L467 I468 G469 V530 W537	F131-Y465 HydrophobicContact CE1-CD1 4.09Å; F131-Y465 HydrophobicContact CE1-CE1 4.11Å; F131-Y465 HydrophobicContact CZ-CD1 4.19Å; F134-Y465 HydrophobicContact CE2-CE1 4.11Å; M396-Y465 HydrophobicContact CE-CD2 3.55Å; M396-Y465 HydrophobicContact CE-CE2 3.82Å; M396-Y465 HydrophobicContact CE-CG 4.43Å; M396-Y465 HydrophobicContact CG-CD2 4.33Å; M396-Y465 HydrophobicContact SD-CD2 4.27Å; H400-Y465 AromaticContact CE1-CG 3.85Å; H400-Y465 AromaticContact NE2-CD1 3.39Å; H400-Y465 WeakPolarHBondContact NE2-CD1 3.48Å; H400-Y465 AromaticContact NE2-CE1 3.81Å; H400-Y465 AromaticContact NE2-CG 3.6Å; N461-Y465 WeakPolarHBondContact O-CD2 3.47Å; N461-Y465 PolarHBondContact O-N 2.88Å; F463-Y465 PolarHBondContact O-N 3.29Å; Y465-L467 VanDerWaalsContact C-N 3.33Å; Y465-I468 PolarHBondContact O-N 2.97Å; Y465-G469 PolarHBondContact O-N 3.21Å; Y465-G469 VanDerWaalsContact O-N 3.13Å; Y465-V530 HydrophobicContact CE2-CG1 4.07Å; Y465-W537 HydrophobicContact CD1-CZ3 4.4Å; Y465-W537 HydrophobicContact CE1-CZ3 4.01Å
466	S	98.8	Very high	98.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-64.7	-37.9	174.5	86.7	0	0	0	0	112.2	A395 G462 F463 I464 G469 L470	A395-S466 VanDerWaalsContact O-CB 3.23Å; A395-S466 WeakPolarHBondContact O-CB 3.46Å; G462-S466 WeakPolarHBondContact O-CB 3.34Å; G462-S466 PolarHBondContact O-N 3.46Å; F463-S466 WeakPolarHBondContact O-CA 3.41Å; F463-S466 VanDerWaalsContact O-CB 3.32Å; F463-S466 WeakPolarHBondContact O-CB 3.3Å; F463-S466 PolarHBondContact O-N 2.85Å; F463-S466 PolarHBondContact O-OG 3.09Å; I464-S466 PolarHBondContact O-N 3.01Å; S466-G469 PolarHBondContact O-N 3.49Å; S466-L470 PolarHBondContact O-N 3.28Å
467	L	98.9	Very high	98.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-65.5	-42.1	174.7	-59.5	-173.8	0	0	0	112	Y448 F463 I464 Y465 G469 L470 Y471 Y487 L491 L494	Y448-L467 HydrophobicContact CD2-CD2 3.97Å; Y448-L467 HydrophobicContact CE2-CD2 3.89Å; F463-L467 HydrophobicContact CD1-CD1 4.09Å; F463-L467 HydrophobicContact CD1-CG 4.35Å; F463-L467 HydrophobicContact CE1-CD1 3.69Å; F463-L467 HydrophobicContact CE1-CD2 4.3Å; F463-L467 HydrophobicContact CE1-CG 4.14Å; F463-L467 HydrophobicContact CZ-CD1 4.34Å; F463-L467 HydrophobicContact CZ-CD2 4.17Å; F463-L467 HydrophobicContact CZ-CG 4.49Å; F463-L467 PolarHBondContact O-N 3.35Å; I464-L467 WeakPolarHBondContact O-CB 3.4Å; I464-L467 PolarHBondContact O-N 3.43Å; Y465-L467 VanDerWaalsContact C-N 3.33Å; L467-G469 VanDerWaalsContact C-N 3.27Å; L467-G469 PolarHBondContact O-N 3.22Å; L467-L470 HydrophobicContact CD2-CD1 4.37Å; L467-L470 PolarHBondContact O-N 2.89Å; L467-Y471 PolarHBondContact O-N 2.81Å; L467-Y487 HydrophobicContact CB-CD2 4.28Å; L467-Y487 HydrophobicContact CB-CE2 4Å; L467-Y487 WeakPolarHBondContact O-CD2 3.34Å; L467-Y487 VanDerWaalsContact O-CE2 3.28Å; L467-Y487 WeakPolarHBondContact O-CE2 3.37Å; L467-L491 HydrophobicContact CD1-CD2 4.1Å; L467-L494 HydrophobicContact CD1-CD2 4.22Å
468	I	98.7	Very high	98.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.5	-41.1	174.8	-56.7	-55.5	0	0	0	110.8	Y125 F131 I464 Y465 Y471 D472 W537 L538 I541	Y125-I468 HydrophobicContact CE1-CG2 4.24Å; F131-I468 HydrophobicContact CD2-CG2 4.42Å; F131-I468 HydrophobicContact CE2-CB 4.43Å; F131-I468 HydrophobicContact CE2-CG2 3.51Å; F131-I468 HydrophobicContact CZ-CB 4.45Å; F131-I468 HydrophobicContact CZ-CG2 3.93Å; I464-I468 WeakPolarHBondContact O-CG1 3.19Å; I464-I468 PolarHBondContact O-N 3.38Å; Y465-I468 PolarHBondContact O-N 2.97Å; I468-Y471 WeakPolarHBondContact O-CB 3.09Å; I468-Y471 PolarHBondContact O-N 3.3Å; I468-D472 PolarHBondContact O-N 3.1Å; I468-W537 HydrophobicContact CD1-CD2 3.99Å; I468-W537 HydrophobicContact CD1-CE3 4.35Å; I468-W537 HydrophobicContact CD1-CG 4.27Å; I468-W537 HydrophobicContact CG1-CD2 4.23Å; I468-W537 HydrophobicContact CG1-CE3 4.13Å; I468-W537 HydrophobicContact CG1-CH2 4.35Å; I468-W537 HydrophobicContact CG1-CZ2 4.38Å; I468-W537 HydrophobicContact CG1-CZ3 4.21Å; I468-W537 HydrophobicContact CG2-CH2 3.71Å; I468-W537 HydrophobicContact CG2-CZ2 3.47Å; I468-W537 VanDerWaalsContact CG2-CZ2 3.47Å; I468-W537 HydrophobicContact CG2-CZ3 4.39Å; I468-L538 HydrophobicContact CD1-CD2 3.91Å; I468-I541 HydrophobicContact CD1-CD1 3.62Å
469	G	98.8	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.9	-39.1	175.7	0	0	0	0	0	113.8	G399 S403 Y465 S466 L467 D472 L473	G399-G469 VanDerWaalsContact O-CA 3.31Å; G399-G469 WeakPolarHBondContact O-CA 3Å; S403-G469 WeakPolarHBondContact OG-CA 3.39Å; Y465-G469 PolarHBondContact O-N 3.21Å; Y465-G469 VanDerWaalsContact O-N 3.13Å; S466-G469 PolarHBondContact O-N 3.49Å; L467-G469 VanDerWaalsContact C-N 3.27Å; L467-G469 PolarHBondContact O-N 3.22Å; G469-D472 PolarHBondContact O-N 3.18Å; G469-L473 PolarHBondContact O-N 2.87Å
470	L	98.8	Very high	97.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.4	-41.3	173.2	-72.6	171.6	0	0	0	111.6	M402 A425 F428 Y448 S466 L467 L473 M474 I483 L486 Y487	M402-L470 HydrophobicContact CE-CD2 3.91Å; M402-L470 HydrophobicContact CE-CG 4.07Å; M402-L470 HydrophobicContact SD-CD2 4.33Å; A425-L470 HydrophobicContact CB-CD2 4.44Å; F428-L470 HydrophobicContact CD1-CD1 3.82Å; F428-L470 HydrophobicContact CD1-CD2 4.38Å; F428-L470 HydrophobicContact CD1-CG 4.34Å; F428-L470 HydrophobicContact CD2-CD2 4.3Å; F428-L470 HydrophobicContact CE1-CD1 3.77Å; F428-L470 HydrophobicContact CE1-CD2 4.37Å; F428-L470 HydrophobicContact CE1-CG 4.01Å; F428-L470 HydrophobicContact CE2-CD2 4.27Å; F428-L470 HydrophobicContact CG-CD2 4.35Å; F428-L470 HydrophobicContact CZ-CD1 4.41Å; F428-L470 HydrophobicContact CZ-CD2 4.32Å; F428-L470 HydrophobicContact CZ-CG 4.15Å; Y448-L470 HydrophobicContact CD2-CD1 4.35Å; Y448-L470 HydrophobicContact CE2-CD1 3.81Å; S466-L470 PolarHBondContact O-N 3.28Å; L467-L470 HydrophobicContact CD2-CD1 4.37Å; L467-L470 PolarHBondContact O-N 2.89Å; L470-L473 PolarHBondContact O-N 3.29Å; L470-M474 VanDerWaalsContact O-CB 3.3Å; L470-M474 WeakPolarHBondContact O-CB 3.08Å; L470-M474 PolarHBondContact O-N 3.35Å; L470-I483 HydrophobicContact CD2-CG2 4.32Å; L470-I483 WeakPolarHBondContact O-CG2 3.36Å; L470-L486 HydrophobicContact CD1-CB 4.06Å; L470-L486 HydrophobicContact CD2-CB 4.1Å; L470-L486 HydrophobicContact CD2-CD1 4.35Å; L470-Y487 HydrophobicContact CB-CD2 4.05Å
471	Y	98.7	Very high	97.8	Very high	36 Å²	36	29.4 Å²	29.4	14%	0.141	14%	0.144	C	C	.	.	H	α-helix	trans	-60.9	-45.5	174.7	175.4	-89.9	0	0	0	111.9	Y125 L467 I468 L473 M474 T475 Y487 I541	Y125-Y471 AromaticContact CD1-CD1 3.89Å; Y125-Y471 HydrophobicContact CD1-CD1 3.89Å; Y125-Y471 AromaticContact CD1-CE1 3.56Å; Y125-Y471 HydrophobicContact CD1-CE1 3.56Å; Y125-Y471 AromaticContact CE1-CD1 3.8Å; Y125-Y471 HydrophobicContact CE1-CD1 3.8Å; Y125-Y471 AromaticContact CE1-CE1 3.84Å; Y125-Y471 HydrophobicContact CE1-CE1 3.84Å; L467-Y471 PolarHBondContact O-N 2.81Å; I468-Y471 WeakPolarHBondContact O-CB 3.09Å; I468-Y471 PolarHBondContact O-N 3.3Å; Y471-L473 VanDerWaalsContact C-N 3.32Å; Y471-L473 PolarHBondContact O-N 2.9Å; Y471-M474 HydrophobicContact CD2-CE 3.71Å; Y471-M474 HydrophobicContact CE2-CE 3.96Å; Y471-M474 PolarHBondContact O-N 2.87Å; Y471-T475 WeakPolarHBondContact O-CB 3.45Å; Y471-T475 PolarHBondContact O-N 3.4Å; Y471-T475 PolarHBondContact O-OG1 2.88Å; Y471-Y487 HydrophobicContact CD2-CE1 4.02Å; Y471-Y487 AromaticContact CD2-CZ 3.92Å; Y471-I541 HydrophobicContact CD1-CD1 4.43Å; Y471-I541 HydrophobicContact CD2-CG2 3.66Å; Y471-I541 HydrophobicContact CE1-CG2 4.47Å; Y471-I541 HydrophobicContact CE2-CG2 3.35Å; Y471-I541 HydrophobicContact CG-CG2 4.34Å
472	D	98.6	Very high	97.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.6	-44.3	176.1	-83.1	-17.1	0	0	0	111.2	Y125 T127 S403 R407 I468 G469 T475 C476	Y125-D472 WeakPolarHBondContact CE1-OD1 3.49Å; Y125-D472 PolarHBondContact OH-OD1 3.44Å; Y125-D472 VanDerWaalsContact OH-OD1 3.12Å; Y125-D472 PolarHBondContact OH-OD2 3.05Å; T127-D472 WeakPolarHBondContact CB-OD1 3.38Å; T127-D472 HydrophobicContact CG2-CB 3.81Å; T127-D472 WeakPolarHBondContact CG2-OD1 3.28Å; T127-D472 PolarHBondContact OG1-OD1 3.08Å; S403-D472 WeakPolarHBondContact CB-OD2 3.42Å; S403-D472 PolarHBondContact OG-OD2 3.39Å; R407-D472 IonicContact CZ-OD2 2.71Å; R407-D472 IonicContact NH1-OD2 3.97Å; R407-D472 PolarHBondContact NH1-OD2 3.47Å; R407-D472 IonicContact NH2-OD2 3.72Å; I468-D472 PolarHBondContact O-N 3.1Å; G469-D472 PolarHBondContact O-N 3.18Å; D472-T475 PolarHBondContact O-N 3.3Å; D472-C476 WeakPolarHBondContact O-CB 3.26Å; D472-C476 PolarHBondContact O-N 3.22Å
473	L	98.7	Very high	97.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.3	-41.6	177.6	-178.8	61.1	0	0	0	112.5	M402 L418 A421 R422 A425 G469 L470 Y471 C476 T477 I483	M402-L473 HydrophobicContact CG-CD2 4.37Å; M402-L473 HydrophobicContact SD-CB 4.32Å; M402-L473 HydrophobicContact SD-CD2 3.59Å; M402-L473 VanDerWaalsContact SD-CD2 3.59Å; L418-L473 HydrophobicContact CD1-CD1 4.24Å; A421-L473 HydrophobicContact CB-CD1 3.69Å; A421-L473 WeakPolarHBondContact O-CD2 3.12Å; R422-L473 HydrophobicContact CG-CD1 4.24Å; A425-L473 HydrophobicContact CB-CD2 3.81Å; G469-L473 PolarHBondContact O-N 2.87Å; L470-L473 PolarHBondContact O-N 3.29Å; Y471-L473 VanDerWaalsContact C-N 3.32Å; Y471-L473 PolarHBondContact O-N 2.9Å; L473-C476 PolarHBondContact O-N 3.39Å; L473-T477 HydrophobicContact CD1-CG2 3.74Å; L473-T477 HydrophobicContact CG-CG2 4.28Å; L473-T477 WeakPolarHBondContact O-CB 3.47Å; L473-T477 WeakPolarHBondContact O-CG2 3.36Å; L473-T477 PolarHBondContact O-N 3.11Å; L473-T477 PolarHBondContact O-OG1 3.27Å; L473-I483 HydrophobicContact CB-CG2 4.12Å; L473-I483 HydrophobicContact CD2-CD1 3.72Å; L473-I483 HydrophobicContact CD2-CG1 4.04Å; L473-I483 HydrophobicContact CD2-CG2 4.07Å; L473-I483 HydrophobicContact CG-CD1 4.47Å; L473-I483 HydrophobicContact CG-CG1 4.25Å; L473-I483 HydrophobicContact CG-CG2 4.02Å
474	M	98.3	Very high	97.7	Very high	25 Å²	25	34.8 Å²	34.8	12%	0.123	17%	0.171	C	C	.	.	H	α-helix	trans	-56.9	-50.4	175.4	-179.3	-172	73.8	0	0	110.2	L470 Y471 T477 K478 N479 I483 S484 Y487	L470-M474 VanDerWaalsContact O-CB 3.3Å; L470-M474 WeakPolarHBondContact O-CB 3.08Å; L470-M474 PolarHBondContact O-N 3.35Å; Y471-M474 HydrophobicContact CD2-CE 3.71Å; Y471-M474 HydrophobicContact CE2-CE 3.96Å; Y471-M474 PolarHBondContact O-N 2.87Å; M474-T477 PolarHBondContact O-N 3.36Å; M474-T477 PolarHBondContact O-OG1 2.96Å; M474-T477 VanDerWaalsContact O-OG1 3.1Å; M474-K478 PolarHBondContact O-N 3.34Å; M474-N479 PolarHBondContact O-N 2.9Å; M474-I483 HydrophobicContact CB-CG2 3.99Å; M474-S484 WeakPolarHBondContact CG-OG 3.28Å; M474-Y487 HydrophobicContact CE-CD1 4.43Å; M474-Y487 HydrophobicContact SD-CD1 4.2Å
475	T	97.2	Very high	97.7	Very high	54 Å²	54	39 Å²	39	33%	0.331	19%	0.191	S	C	.	.	H	α-helix	trans	-62.1	-47.5	177.9	-56.8	0	0	0	0	111.3	Y471 D472 T477 K478	Y471-T475 WeakPolarHBondContact O-CB 3.45Å; Y471-T475 PolarHBondContact O-N 3.4Å; Y471-T475 PolarHBondContact O-OG1 2.88Å; D472-T475 PolarHBondContact O-N 3.3Å; T475-T477 VanDerWaalsContact C-N 3.29Å; T475-T477 PolarHBondContact O-N 3.04Å; T475-K478 PolarHBondContact O-N 3.25Å
476	C	95.3	Very high	97.7	Very high	12 Å²	12	38.8 Å²	38.8	8%	0.081	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-32.5	-178.9	-170.8	0	0	0	0	113.3	C406 F409 D472 L473 K478	C406-C476 HydrophobicContact CB-CB 3.88Å; F409-C476 WeakPolarHBondContact CD1-SG 3.4Å; D472-C476 WeakPolarHBondContact O-CB 3.26Å; D472-C476 PolarHBondContact O-N 3.22Å; L473-C476 PolarHBondContact O-N 3.39Å; C476-K478 VanDerWaalsContact C-N 3.35Å
477	T	96.7	Very high	97.7	Very high	22 Å²	22	39.1 Å²	39.1	14%	0.135	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2.3	176	55.1	0	0	0	0	113.8	L418 R422 L473 M474 T475 D480	L418-T477 HydrophobicContact CD1-CG2 3.74Å; R422-T477 HydrophobicContact CG-CG2 4.02Å; L473-T477 HydrophobicContact CD1-CG2 3.74Å; L473-T477 HydrophobicContact CG-CG2 4.28Å; L473-T477 WeakPolarHBondContact O-CB 3.47Å; L473-T477 WeakPolarHBondContact O-CG2 3.36Å; L473-T477 PolarHBondContact O-N 3.11Å; L473-T477 PolarHBondContact O-OG1 3.27Å; M474-T477 PolarHBondContact O-N 3.36Å; M474-T477 PolarHBondContact O-OG1 2.96Å; M474-T477 VanDerWaalsContact O-OG1 3.1Å; T475-T477 VanDerWaalsContact C-N 3.29Å; T475-T477 PolarHBondContact O-N 3.04Å; T477-D480 WeakPolarHBondContact OG1-CB 3.43Å; T477-D480 PolarHBondContact OG1-N 3.47Å
478	K	94.1	Very high	97.6	Very high	184 Å²	184	45.2 Å²	45.2	80%	0.8	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	51.9	-174.5	-54.6	-178.5	178.2	-177.4	0	112.8	M474 T475 C476	M474-K478 PolarHBondContact O-N 3.34Å; T475-K478 PolarHBondContact O-N 3.25Å; C476-K478 VanDerWaalsContact C-N 3.35Å
479	N	93.4	Very high	97.6	Very high	108 Å²	108	48.4 Å²	48.4	58%	0.578	23%	0.227	S	C	*	.	S	Bend	trans	65.8	52.9	176.6	-53.4	-42.6	0	0	0	113.9	M474 Q481	M474-N479 PolarHBondContact O-N 2.9Å; N479-Q481 PolarHBondContact O-N 3.26Å
480	D	96.9	Very high	97.6	Very high	35 Å²	35	48.5 Å²	48.5	19%	0.187	23%	0.227	C	C	.	.			trans	-55.3	126.1	167.5	-174.6	-66.4	0	0	0	110.3	R422 T477 K482 I483 S484	R422-D480 IonicContact CZ-OD2 3.83Å; R422-D480 IonicContact NH1-OD2 2.73Å; R422-D480 PolarHBondContact NH1-OD2 3.02Å; R422-D480 IonicContact NH2-OD2 3.15Å; R422-D480 PolarHBondContact NH2-OD2 2.75Å; T477-D480 WeakPolarHBondContact OG1-CB 3.43Å; T477-D480 PolarHBondContact OG1-N 3.47Å; D480-K482 VanDerWaalsContact C-N 3.32Å; D480-K482 PolarHBondContact O-N 3.04Å; D480-K482 PolarHBondContact OD1-N 3.4Å; D480-I483 HydrophobicContact CB-CB 4.34Å; D480-I483 HydrophobicContact CB-CG1 3.94Å; D480-I483 PolarHBondContact O-N 3.49Å; D480-S484 WeakPolarHBondContact O-CB 3.34Å; D480-S484 PolarHBondContact O-N 3.18Å; D480-S484 PolarHBondContact O-OG 3.18Å
481	Q	97.7	Very high	97.6	Very high	129 Å²	129	49.2 Å²	49.2	60%	0.603	23%	0.231	S	C	*	.	H	α-helix	trans	-57	-43.6	-171.5	-178.7	64.3	18.9	0	0	112.3	N479 I483 S484 E485	N479-Q481 PolarHBondContact O-N 3.26Å; Q481-I483 PolarHBondContact O-N 3Å; Q481-S484 PolarHBondContact O-N 2.85Å; Q481-E485 PolarHBondContact NE2-OE1 2.95Å; Q481-E485 WeakPolarHBondContact O-CG 3.3Å; Q481-E485 PolarHBondContact O-N 2.85Å
482	K	97.5	Very high	97.6	Very high	85 Å²	85	52.9 Å²	52.9	37%	0.37	25%	0.249	S	C	.	.	H	α-helix	trans	-66.9	-40.2	-177	-176.8	178.1	179.9	180	0	111.4	E426 D480 E485 L486	E426-K482 IonicContact OE1-NZ 2.6Å; E426-K482 PolarHBondContact OE1-NZ 3Å; E426-K482 IonicContact OE2-NZ 2.83Å; E426-K482 PolarHBondContact OE2-NZ 2.82Å; D480-K482 VanDerWaalsContact C-N 3.32Å; D480-K482 PolarHBondContact O-N 3.04Å; D480-K482 PolarHBondContact OD1-N 3.4Å; K482-E485 PolarHBondContact O-N 3.26Å; K482-L486 WeakPolarHBondContact O-CG 3.48Å; K482-L486 PolarHBondContact O-N 2.83Å; K482-L486 VanDerWaalsContact O-N 3.15Å
483	I	98.4	Very high	97.6	Very high	6 Å²	6	53 Å²	53	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-68.6	-41.2	177.7	-51.9	-54	0	0	0	110.4	A425 L470 L473 M474 D480 Q481 E485 L486 Y487	A425-I483 HydrophobicContact CB-CD1 3.28Å; L470-I483 HydrophobicContact CD2-CG2 4.32Å; L470-I483 WeakPolarHBondContact O-CG2 3.36Å; L473-I483 HydrophobicContact CB-CG2 4.12Å; L473-I483 HydrophobicContact CD2-CD1 3.72Å; L473-I483 HydrophobicContact CD2-CG1 4.04Å; L473-I483 HydrophobicContact CD2-CG2 4.07Å; L473-I483 HydrophobicContact CG-CD1 4.47Å; L473-I483 HydrophobicContact CG-CG1 4.25Å; L473-I483 HydrophobicContact CG-CG2 4.02Å; M474-I483 HydrophobicContact CB-CG2 3.99Å; D480-I483 HydrophobicContact CB-CB 4.34Å; D480-I483 HydrophobicContact CB-CG1 3.94Å; D480-I483 PolarHBondContact O-N 3.49Å; Q481-I483 PolarHBondContact O-N 3Å; I483-E485 VanDerWaalsContact C-N 3.31Å; I483-E485 PolarHBondContact O-N 3.27Å; I483-L486 HydrophobicContact CD1-CD1 4.38Å; I483-L486 WeakPolarHBondContact O-CB 3.49Å; I483-L486 PolarHBondContact O-N 3.34Å; I483-Y487 PolarHBondContact O-N 3.26Å
484	S	98.3	Very high	97.6	Very high	26 Å²	26	53 Å²	53	18%	0.182	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-40.2	177.6	-53.4	0	0	0	0	111.5	M474 D480 Q481 Y487 R488	M474-S484 WeakPolarHBondContact CG-OG 3.28Å; D480-S484 WeakPolarHBondContact O-CB 3.34Å; D480-S484 PolarHBondContact O-N 3.18Å; D480-S484 PolarHBondContact O-OG 3.18Å; Q481-S484 PolarHBondContact O-N 2.85Å; S484-Y487 PolarHBondContact O-N 3.42Å; S484-R488 WeakPolarHBondContact O-CB 3.33Å; S484-R488 PolarHBondContact O-N 3.1Å
485	E	98.5	Very high	97.6	Very high	90 Å²	90	54.3 Å²	54.3	42%	0.421	26%	0.258	S	S	.	.	H	α-helix	trans	-65.8	-41.9	174.9	-75.5	171	-170	0	0	113	Q481 K482 I483 Y487 R489	Q481-E485 PolarHBondContact NE2-OE1 2.95Å; Q481-E485 WeakPolarHBondContact O-CG 3.3Å; Q481-E485 PolarHBondContact O-N 2.85Å; K482-E485 PolarHBondContact O-N 3.26Å; I483-E485 VanDerWaalsContact C-N 3.31Å; I483-E485 PolarHBondContact O-N 3.27Å; E485-Y487 VanDerWaalsContact C-N 3.34Å; E485-R489 VanDerWaalsContact O-CB 3.22Å; E485-R489 WeakPolarHBondContact O-CB 3.44Å; E485-R489 PolarHBondContact O-N 3.44Å
486	L	98.7	Very high	97.7	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-45.9	173.9	-70.8	165.2	0	0	0	110.9	A425 F428 A429 Y448 L470 K482 I483 G490	A425-L486 HydrophobicContact CB-CD1 4.21Å; F428-L486 HydrophobicContact CB-CD1 4.26Å; F428-L486 HydrophobicContact CB-CD2 3.75Å; A429-L486 HydrophobicContact CB-CD2 4.41Å; Y448-L486 WeakPolarHBondContact OH-CA 3.39Å; Y448-L486 PolarHBondContact OH-O 2.92Å; L470-L486 HydrophobicContact CD1-CB 4.06Å; L470-L486 HydrophobicContact CD2-CB 4.1Å; L470-L486 HydrophobicContact CD2-CD1 4.35Å; K482-L486 WeakPolarHBondContact O-CG 3.48Å; K482-L486 PolarHBondContact O-N 2.83Å; K482-L486 VanDerWaalsContact O-N 3.15Å; I483-L486 HydrophobicContact CD1-CD1 4.38Å; I483-L486 WeakPolarHBondContact O-CB 3.49Å; I483-L486 PolarHBondContact O-N 3.34Å; L486-G490 PolarHBondContact O-N 3.03Å; L486-G490 VanDerWaalsContact O-N 3.08Å
487	Y	98.7	Very high	97.8	Very high	7 Å²	7	54.2 Å²	54.2	3%	0.027	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-52.7	179	-178.6	-116.2	0	0	0	111.8	L467 L470 Y471 M474 I483 S484 E485 R489 G490 L491 E542	L467-Y487 HydrophobicContact CB-CD2 4.28Å; L467-Y487 HydrophobicContact CB-CE2 4Å; L467-Y487 WeakPolarHBondContact O-CD2 3.34Å; L467-Y487 VanDerWaalsContact O-CE2 3.28Å; L467-Y487 WeakPolarHBondContact O-CE2 3.37Å; L470-Y487 HydrophobicContact CB-CD2 4.05Å; Y471-Y487 HydrophobicContact CD2-CE1 4.02Å; Y471-Y487 AromaticContact CD2-CZ 3.92Å; M474-Y487 HydrophobicContact CE-CD1 4.43Å; M474-Y487 HydrophobicContact SD-CD1 4.2Å; I483-Y487 PolarHBondContact O-N 3.26Å; S484-Y487 PolarHBondContact O-N 3.42Å; E485-Y487 VanDerWaalsContact C-N 3.34Å; Y487-R489 PolarHBondContact O-N 3.15Å; Y487-G490 WeakPolarHBondContact O-CA 3.3Å; Y487-G490 PolarHBondContact O-N 2.93Å; Y487-L491 HydrophobicContact CD1-CD1 4.03Å; Y487-L491 HydrophobicContact CE1-CD1 3.43Å; Y487-L491 VanDerWaalsContact CE1-CD1 3.43Å; Y487-L491 HydrophobicContact CE1-CG 4.14Å; Y487-L491 HydrophobicContact CE2-CD1 4.35Å; Y487-L491 HydrophobicContact CE2-CD2 4.32Å; Y487-L491 HydrophobicContact CE2-CG 4.21Å; Y487-L491 PolarHBondContact O-N 3.16Å; Y487-E542 WeakPolarHBondContact CE1-OE1 3.37Å; Y487-E542 PolarHBondContact OH-OE1 2.97Å
488	R	98.5	Very high	97.9	Very high	127 Å²	127	53.1 Å²	53.1	48%	0.479	26%	0.256	S	S	.	.	H	α-helix	trans	-60.2	-42.9	-179.2	-172.1	-172.4	60.6	67.1	2.5	112.4	S484 G490 L491 Q492	S484-R488 WeakPolarHBondContact O-CB 3.33Å; S484-R488 PolarHBondContact O-N 3.1Å; R488-G490 VanDerWaalsContact C-N 3.27Å; R488-G490 PolarHBondContact O-N 2.89Å; R488-L491 PolarHBondContact O-N 3.33Å; R488-Q492 WeakPolarHBondContact O-CG 3.42Å; R488-Q492 PolarHBondContact O-N 3.42Å
489	R	98.7	Very high	98.1	Very high	68 Å²	68	48 Å²	48	26%	0.257	24%	0.241	S	C	.	.	H	α-helix	trans	-60.4	-39.9	174.2	172.9	171.2	47.7	160.7	-12.2	111.5	P446 Y448 E485 Y487 Q492 S493	P446-R489 HydrophobicContact CB-CG 4.35Å; P446-R489 HydrophobicContact CG-CG 3.58Å; Y448-R489 PolarHBondContact OH-NE 3.5Å; E485-R489 VanDerWaalsContact O-CB 3.22Å; E485-R489 WeakPolarHBondContact O-CB 3.44Å; E485-R489 PolarHBondContact O-N 3.44Å; Y487-R489 PolarHBondContact O-N 3.15Å; R489-Q492 PolarHBondContact O-N 2.99Å; R489-S493 PolarHBondContact O-N 3.41Å; R489-S493 VanDerWaalsContact O-N 3.1Å; R489-S493 PolarHBondContact O-OG 3.46Å
490	G	98.7	Very high	98.3	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-46.6	175.3	0	0	0	0	0	112.8	F463 L486 Y487 R488 S493 L494	F463-G490 WeakPolarHBondContact CE1-O 3.44Å; F463-G490 WeakPolarHBondContact CZ-O 3.49Å; L486-G490 PolarHBondContact O-N 3.03Å; L486-G490 VanDerWaalsContact O-N 3.08Å; Y487-G490 WeakPolarHBondContact O-CA 3.3Å; Y487-G490 PolarHBondContact O-N 2.93Å; R488-G490 VanDerWaalsContact C-N 3.27Å; R488-G490 PolarHBondContact O-N 2.89Å; G490-S493 WeakPolarHBondContact O-CB 3.18Å; G490-S493 PolarHBondContact O-N 2.95Å; G490-L494 PolarHBondContact O-N 2.91Å
491	L	98.6	Very high	98.4	Very high	15 Å²	15	45 Å²	45	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-43.6	175.5	-71	177.8	0	0	0	112.6	L467 Y487 R488 S493 L494 N495 L538 E542 Y547	L467-L491 HydrophobicContact CD1-CD2 4.1Å; Y487-L491 HydrophobicContact CD1-CD1 4.03Å; Y487-L491 HydrophobicContact CE1-CD1 3.43Å; Y487-L491 VanDerWaalsContact CE1-CD1 3.43Å; Y487-L491 HydrophobicContact CE1-CG 4.14Å; Y487-L491 HydrophobicContact CE2-CD1 4.35Å; Y487-L491 HydrophobicContact CE2-CD2 4.32Å; Y487-L491 HydrophobicContact CE2-CG 4.21Å; Y487-L491 PolarHBondContact O-N 3.16Å; R488-L491 PolarHBondContact O-N 3.33Å; L491-S493 PolarHBondContact O-N 3.18Å; L491-L494 WeakPolarHBondContact O-CB 3.35Å; L491-L494 PolarHBondContact O-N 2.95Å; L491-N495 PolarHBondContact O-N 3.27Å; L491-L538 HydrophobicContact CD2-CD2 4.29Å; L491-E542 VanDerWaalsContact CD1-CD 3.5Å; L491-E542 HydrophobicContact CD1-CG 4Å; L491-E542 HydrophobicContact CD2-CG 4.33Å; L491-Y547 WeakPolarHBondContact CD2-OH 3.37Å
492	Q	98.6	Very high	98.3	Very high	113 Å²	113	40.3 Å²	40.3	53%	0.528	20%	0.204	S	C	.	.	H	α-helix	trans	-57.9	-40	175.5	-74.3	179.8	-30.8	0	0	111.8	R488 R489 N495 A496	R488-Q492 WeakPolarHBondContact O-CG 3.42Å; R488-Q492 PolarHBondContact O-N 3.42Å; R489-Q492 PolarHBondContact O-N 2.99Å; Q492-N495 PolarHBondContact O-N 2.87Å; Q492-A496 WeakPolarHBondContact O-CB 3.46Å; Q492-A496 PolarHBondContact O-N 3.49Å; Q492-A496 VanDerWaalsContact O-N 3.07Å
493	S	98.7	Very high	98.3	Very high	4 Å²	4	39 Å²	39	3%	0.028	20%	0.203	C	C	.	.	H	α-helix	trans	-71.1	-39	178.6	-53.1	0	0	0	0	112.1	P446 R489 G490 L491 A496 L497	P446-S493 WeakPolarHBondContact CG-OG 3.43Å; P446-S493 WeakPolarHBondContact O-CB 3.49Å; P446-S493 PolarHBondContact O-OG 3.29Å; R489-S493 PolarHBondContact O-N 3.41Å; R489-S493 VanDerWaalsContact O-N 3.1Å; R489-S493 PolarHBondContact O-OG 3.46Å; G490-S493 WeakPolarHBondContact O-CB 3.18Å; G490-S493 PolarHBondContact O-N 2.95Å; L491-S493 PolarHBondContact O-N 3.18Å; S493-A496 PolarHBondContact O-N 2.87Å; S493-L497 WeakPolarHBondContact O-CG 3.5Å; S493-L497 PolarHBondContact O-N 3.31Å; S493-L497 VanDerWaalsContact O-N 3.09Å
494	L	98.8	Very high	98.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-50.2	171.8	-172.5	55.8	0	0	0	110.7	W447 L460 F463 I464 L467 G490 L491 A496 L497 L498 L538 Y547	W447-L494 HydrophobicContact CH2-CD1 4.36Å; L460-L494 HydrophobicContact CD1-CD1 3.81Å; F463-L494 HydrophobicContact CD1-CD1 4.35Å; F463-L494 HydrophobicContact CE1-CB 3.98Å; F463-L494 HydrophobicContact CE1-CD1 4.48Å; I464-L494 HydrophobicContact CD1-CD1 4.35Å; I464-L494 HydrophobicContact CD1-CD2 4.43Å; I464-L494 HydrophobicContact CG1-CD1 4.17Å; I464-L494 HydrophobicContact CG1-CD2 4.06Å; L467-L494 HydrophobicContact CD1-CD2 4.22Å; G490-L494 PolarHBondContact O-N 2.91Å; L491-L494 WeakPolarHBondContact O-CB 3.35Å; L491-L494 PolarHBondContact O-N 2.95Å; L494-A496 VanDerWaalsContact C-N 3.27Å; L494-A496 PolarHBondContact O-N 3.4Å; L494-L497 PolarHBondContact O-N 3.08Å; L494-L498 HydrophobicContact CD1-CB 4.43Å; L494-L498 HydrophobicContact CD1-CD1 4.45Å; L494-L498 WeakPolarHBondContact O-CA 3.15Å; L494-L498 WeakPolarHBondContact O-CB 3.26Å; L494-L498 PolarHBondContact O-N 3.42Å; L494-L538 HydrophobicContact CD2-CD1 3.3Å; L494-Y547 HydrophobicContact CD2-CE1 3.82Å; L494-Y547 HydrophobicContact CG-CE1 4.25Å
495	N	98.5	Very high	97.9	Very high	51 Å²	51	40.7 Å²	40.7	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-60.6	-38.9	-177.8	-75.9	5	0	0	0	112	L491 Q492 D544 L546 Y547	L491-N495 PolarHBondContact O-N 3.27Å; Q492-N495 PolarHBondContact O-N 2.87Å; N495-D544 PolarHBondContact ND2-OD2 3.21Å; N495-L546 HydrophobicContact CB-CD2 4.03Å; N495-Y547 VanDerWaalsContact OD1-CE1 3.3Å; N495-Y547 WeakPolarHBondContact OD1-CE1 3.25Å; N495-Y547 VanDerWaalsContact OD1-CZ 3.31Å; N495-Y547 PolarHBondContact OD1-OH 3.31Å
496	A	98.2	Very high	97.8	Very high	58 Å²	58	36.7 Å²	36.7	48%	0.479	20%	0.2	S	C	.	.	H	α-helix	trans	-67.6	-39.9	177.3	0	0	0	0	0	113	V445 Q492 S493 L494	V445-A496 HydrophobicContact CG1-CB 4.44Å; Q492-A496 WeakPolarHBondContact O-CB 3.46Å; Q492-A496 PolarHBondContact O-N 3.49Å; Q492-A496 VanDerWaalsContact O-N 3.07Å; S493-A496 PolarHBondContact O-N 2.87Å; L494-A496 VanDerWaalsContact C-N 3.27Å; L494-A496 PolarHBondContact O-N 3.4Å
497	L	98.3	Very high	97.7	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-101.7	-16.5	-171.1	-57.3	-175.4	0	0	0	114.5	F441 V445 W447 S493 L494 P499 L500 F501 L511	F441-L497 HydrophobicContact CB-CD1 3.71Å; F441-L497 HydrophobicContact CD1-CD1 4.08Å; F441-L497 HydrophobicContact CD1-CD2 3.5Å; F441-L497 HydrophobicContact CD1-CG 4.48Å; F441-L497 HydrophobicContact CD2-CD1 4.44Å; F441-L497 HydrophobicContact CE1-CD2 3.84Å; F441-L497 HydrophobicContact CG-CD1 3.83Å; F441-L497 HydrophobicContact CG-CD2 4.13Å; V445-L497 HydrophobicContact CB-CD1 4.28Å; V445-L497 HydrophobicContact CB-CD2 4.41Å; V445-L497 HydrophobicContact CB-CG 4.48Å; V445-L497 HydrophobicContact CG1-CD1 3.88Å; V445-L497 HydrophobicContact CG1-CD2 4.35Å; V445-L497 HydrophobicContact CG1-CG 3.95Å; V445-L497 HydrophobicContact CG2-CD2 4.34Å; W447-L497 HydrophobicContact CE3-CD1 3.72Å; W447-L497 HydrophobicContact CZ3-CB 4.12Å; W447-L497 HydrophobicContact CZ3-CD1 3.85Å; W447-L497 HydrophobicContact CZ3-CG 4.46Å; S493-L497 WeakPolarHBondContact O-CG 3.5Å; S493-L497 PolarHBondContact O-N 3.31Å; S493-L497 VanDerWaalsContact O-N 3.09Å; L494-L497 PolarHBondContact O-N 3.08Å; L497-P499 VanDerWaalsContact C-N 3.28Å; L497-L500 HydrophobicContact CD2-CD1 3.93Å; L497-L500 VanDerWaalsContact O-CB 3.3Å; L497-L500 WeakPolarHBondContact O-CB 3.48Å; L497-L500 PolarHBondContact O-N 2.73Å; L497-F501 HydrophobicContact CB-CE2 4.3Å; L497-F501 WeakPolarHBondContact O-CD2 3.37Å; L497-L511 HydrophobicContact CB-CD1 4.42Å
498	L	98.6	Very high	97.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-51.3	-40.1	-179.2	-177.7	61.9	0	0	0	113.2	L494 L500 F501 L535 L546 Y547 T550 W554	L494-L498 HydrophobicContact CD1-CB 4.43Å; L494-L498 HydrophobicContact CD1-CD1 4.45Å; L494-L498 WeakPolarHBondContact O-CA 3.15Å; L494-L498 WeakPolarHBondContact O-CB 3.26Å; L494-L498 PolarHBondContact O-N 3.42Å; L498-L500 PolarHBondContact O-N 2.82Å; L498-F501 PolarHBondContact O-N 2.75Å; L498-F501 VanDerWaalsContact O-N 3.11Å; L498-L535 HydrophobicContact CD1-CD1 4.38Å; L498-L535 HydrophobicContact CD1-CD2 3.92Å; L498-L535 HydrophobicContact CD2-CD2 3.8Å; L498-L546 HydrophobicContact CD2-CD2 4.27Å; L498-L546 HydrophobicContact CD2-CG 4.05Å; L498-Y547 HydrophobicContact CD2-CD1 4Å; L498-Y547 HydrophobicContact CD2-CE1 4.4Å; L498-T550 HydrophobicContact CD1-CG2 4.47Å; L498-T550 HydrophobicContact CD2-CG2 4.32Å; L498-T550 HydrophobicContact CG-CG2 4.33Å; L498-W554 HydrophobicContact CD1-CH2 3.85Å; L498-W554 HydrophobicContact CD1-CZ2 4.43Å
499	P	97.4	Very high	97.7	Very high	76 Å²	76	31.4 Å²	31.4	49%	0.494	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-58.3	-29.9	175.1	-26.4	36.6	0	0	0	114.4	L497 F501 D502	L497-P499 VanDerWaalsContact C-N 3.28Å; P499-F501 VanDerWaalsContact C-N 3.26Å; P499-F501 PolarHBondContact O-N 3.29Å; P499-D502 PolarHBondContact O-N 2.95Å
500	L	97.7	Very high	97.7	Very high	80 Å²	80	28.2 Å²	28.2	42%	0.419	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-72.8	-19.1	179.9	-56.8	-178.5	0	0	0	113.1	F441 L497 L498 D502 L508 L511	F441-L500 HydrophobicContact CE1-CD1 3.7Å; F441-L500 HydrophobicContact CZ-CD1 3.67Å; L497-L500 HydrophobicContact CD2-CD1 3.93Å; L497-L500 VanDerWaalsContact O-CB 3.3Å; L497-L500 WeakPolarHBondContact O-CB 3.48Å; L497-L500 PolarHBondContact O-N 2.73Å; L498-L500 PolarHBondContact O-N 2.82Å; L500-D502 VanDerWaalsContact C-N 3.28Å; L500-L508 WeakPolarHBondContact O-CD1 3.28Å; L500-L511 HydrophobicContact CB-CD1 4.05Å; L500-L511 HydrophobicContact CB-CD2 3.97Å; L500-L511 HydrophobicContact CD1-CD1 4.1Å
501	F	98.5	Very high	97.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-83	-6.7	175.3	-67.3	-88.1	0	0	0	112.7	W447 F458 L460 L497 L498 P499 S507 L508 L511 W554	W447-F501 AromaticContact CH2-CE2 3.71Å; W447-F501 HydrophobicContact CH2-CE2 3.71Å; W447-F501 AromaticContact CH2-CZ 3.75Å; W447-F501 HydrophobicContact CH2-CZ 3.75Å; W447-F501 HydrophobicContact CZ2-CE2 4.31Å; W447-F501 AromaticContact CZ2-CZ 3.87Å; W447-F501 HydrophobicContact CZ2-CZ 3.87Å; W447-F501 HydrophobicContact CZ3-CE2 4.42Å; F458-F501 WeakPolarHBondContact O-CE1 3.34Å; F458-F501 WeakPolarHBondContact O-CZ 3.48Å; L460-F501 HydrophobicContact CB-CD1 3.8Å; L460-F501 HydrophobicContact CB-CE1 3.57Å; L460-F501 HydrophobicContact CB-CG 4.44Å; L460-F501 HydrophobicContact CB-CZ 4.02Å; L460-F501 HydrophobicContact CD1-CD1 4.41Å; L460-F501 HydrophobicContact CD1-CD2 4.04Å; L460-F501 HydrophobicContact CD1-CE1 4.31Å; L460-F501 HydrophobicContact CD1-CE2 3.91Å; L460-F501 HydrophobicContact CD1-CG 4.27Å; L460-F501 HydrophobicContact CD1-CZ 4.03Å; L460-F501 HydrophobicContact CD2-CB 4.02Å; L460-F501 HydrophobicContact CD2-CD1 3.92Å; L460-F501 HydrophobicContact CD2-CD2 4.4Å; L460-F501 HydrophobicContact CD2-CE1 4.48Å; L460-F501 HydrophobicContact CD2-CG 3.87Å; L460-F501 HydrophobicContact CG-CD1 4.26Å; L460-F501 HydrophobicContact CG-CE1 4.32Å; L460-F501 HydrophobicContact CG-CG 4.43Å; L497-F501 HydrophobicContact CB-CE2 4.3Å; L497-F501 WeakPolarHBondContact O-CD2 3.37Å; L498-F501 PolarHBondContact O-N 2.75Å; L498-F501 VanDerWaalsContact O-N 3.11Å; P499-F501 VanDerWaalsContact C-N 3.26Å; P499-F501 PolarHBondContact O-N 3.29Å; F501-S507 CarbonylContact O-C 3.56Å; F501-S507 WeakPolarHBondContact O-CA 3.21Å; F501-L508 HydrophobicContact CD1-CB 4.13Å; F501-L508 PolarHBondContact O-N 3.5Å; F501-L511 HydrophobicContact CD1-CD2 3.88Å; F501-L511 HydrophobicContact CD1-CG 4.18Å; F501-L511 HydrophobicContact CD2-CD1 4.31Å; F501-L511 HydrophobicContact CD2-CD2 4.3Å; F501-L511 HydrophobicContact CD2-CG 4.42Å; F501-L511 HydrophobicContact CE1-CD1 4.3Å; F501-L511 HydrophobicContact CE1-CD2 3.83Å; F501-L511 HydrophobicContact CE1-CG 3.6Å; F501-L511 HydrophobicContact CE2-CD1 3.66Å; F501-L511 HydrophobicContact CE2-CD2 4.26Å; F501-L511 HydrophobicContact CE2-CG 3.89Å; F501-L511 HydrophobicContact CG-CD2 4.14Å; F501-L511 HydrophobicContact CZ-CD1 3.68Å; F501-L511 HydrophobicContact CZ-CD2 4.05Å; F501-L511 HydrophobicContact CZ-CG 3.46Å; F501-L511 VanDerWaalsContact CZ-CG 3.46Å; F501-W554 HydrophobicContact CB-CH2 4.21Å; F501-W554 HydrophobicContact CB-CZ2 4.23Å
502	D	97.4	Very high	97.5	Very high	30 Å²	30	29.2 Å²	29.2	16%	0.16	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-93.2	119.1	179	-161.4	-49.8	0	0	0	110.8	P499 L500 G504 R553 W554 F557	P499-D502 PolarHBondContact O-N 2.95Å; L500-D502 VanDerWaalsContact C-N 3.28Å; D502-G504 PolarHBondContact OD1-N 2.81Å; D502-R553 IonicContact OD2-CZ 3.39Å; D502-R553 IonicContact OD2-NE 2.95Å; D502-R553 PolarHBondContact OD2-NE 2.92Å; D502-R553 IonicContact OD2-NH1 3.79Å; D502-R553 IonicContact OD2-NH2 2.68Å; D502-R553 PolarHBondContact OD2-NH2 3.47Å; D502-W554 HydrophobicContact CB-CZ2 4.41Å; D502-W554 VanDerWaalsContact CG-NE1 3.33Å; D502-W554 PolarHBondContact OD2-NE1 2.86Å; D502-F557 WeakPolarHBondContact OD1-CE2 3.31Å
503	T	95.8	Very high	97.3	Very high	58 Å²	58	25.6 Å²	25.6	36%	0.356	15%	0.154	S	C	.	.			trans	-96.4	0.1	179.2	66	0	0	0	0	113.5	S505 G506 L508	T503-S505 PolarHBondContact O-N 3.14Å; T503-S505 PolarHBondContact OG1-N 2.77Å; T503-S505 PolarHBondContact OG1-OG 2.86Å; T503-G506 PolarHBondContact N-O 3.39Å; T503-G506 PolarHBondContact OG1-N 3.16Å; T503-G506 VanDerWaalsContact OG1-N 3.16Å; T503-G506 PolarHBondContact OG1-O 2.98Å; T503-L508 HydrophobicContact CG2-CD1 4.41Å; T503-L508 HydrophobicContact CG2-CD2 3.36Å; T503-L508 HydrophobicContact CG2-CG 3.6Å
504	G	95.4	Very high	97.2	Very high	14 Å²	14	28 Å²	28	14%	0.144	17%	0.169	C	C	.	.	S	Bend	trans	73.5	2.9	-168.9	0	0	0	0	0	114.7	D502 F557 R562 A563	D502-G504 PolarHBondContact OD1-N 2.81Å; G504-F557 WeakPolarHBondContact O-CE1 3.37Å; G504-R562 CarbonylContact O-C 3.55Å; G504-R562 WeakPolarHBondContact O-CA 3.37Å; G504-A563 PolarHBondContact O-N 3.23Å
505	S	94.4	Very high	96.8	Very high	54 Å²	54	30.1 Å²	30.1	38%	0.378	19%	0.186	S	C	.	.	S	Bend	trans	-148.6	3.7	177.4	54.9	0	0	0	0	113.8	T503	T503-S505 PolarHBondContact O-N 3.14Å; T503-S505 PolarHBondContact OG1-N 2.77Å; T503-S505 PolarHBondContact OG1-OG 2.86Å
506	G	95.3	Very high	96.5	Very high	5 Å²	5	29.4 Å²	29.4	5%	0.052	18%	0.182	C	C	.	.	S	Bend	trans	173	-169.8	-176.6	0	0	0	0	0	109.3	T503	T503-G506 PolarHBondContact N-O 3.39Å; T503-G506 PolarHBondContact OG1-N 3.16Å; T503-G506 VanDerWaalsContact OG1-N 3.16Å; T503-G506 PolarHBondContact OG1-O 2.98Å
507	S	97.9	Very high	96.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-114.3	152.3	170.5	58.1	0	0	0	0	111.1	F501 A523 H528 H531	F501-S507 CarbonylContact O-C 3.56Å; F501-S507 WeakPolarHBondContact O-CA 3.21Å; S507-A523 WeakPolarHBondContact O-CB 3.48Å; S507-A523 PolarHBondContact O-N 3.14Å; S507-H528 PolarHBondContact N-CE1 3.11Å; S507-H528 PolarHBondContact N-ND1 3.37Å; S507-H528 VanDerWaalsContact N-ND1 3.13Å; S507-H528 PolarHBondContact OG-ND1 3.41Å; S507-H531 PolarHBondContact OG-ND1 3.28Å
508	L	98.4	Very high	95.9	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-78.3	145.9	167.6	-61.3	-176.5	0	0	0	110	L500 F501 T503 L511 H513 P520 V522 H531	L500-L508 WeakPolarHBondContact O-CD1 3.28Å; F501-L508 HydrophobicContact CD1-CB 4.13Å; F501-L508 PolarHBondContact O-N 3.5Å; T503-L508 HydrophobicContact CG2-CD1 4.41Å; T503-L508 HydrophobicContact CG2-CD2 3.36Å; T503-L508 HydrophobicContact CG2-CG 3.6Å; L508-L511 HydrophobicContact CD1-CD2 4.1Å; L508-H513 WeakPolarHBondContact CD1-CE1 3.14Å; L508-P520 HydrophobicContact CD1-CB 4.26Å; L508-P520 HydrophobicContact CD2-CB 3.64Å; L508-V522 HydrophobicContact CD2-CG2 4.13Å; L508-H531 PolarHBondContact O-CE1 2.74Å; L508-H531 VanDerWaalsContact O-CE1 3.25Å
509	Y	98.3	Very high	95.7	Very high	19 Å²	19	41.8 Å²	41.8	8%	0.075	25%	0.248	C	C	.	.	S	Bend	trans	-74	-36.9	172.6	-177.4	-110.1	0	0	0	111.7	V459 L460 N461 N521 Y527	V459-Y509 HydrophobicContact CG1-CD1 4.47Å; V459-Y509 HydrophobicContact CG1-CE1 3.86Å; V459-Y509 HydrophobicContact CG1-CE2 4.1Å; V459-Y509 HydrophobicContact CG2-CE1 4.1Å; L460-Y509 PolarHBondContact N-O 3.25Å; N461-Y509 WeakPolarHBondContact OD1-CE2 3.47Å; N461-Y509 PolarHBondContact OD1-OH 2.88Å; Y509-N521 WeakPolarHBondContact CB-ND2 3.47Å; Y509-N521 VanDerWaalsContact CD1-ND2 3.33Å; Y509-N521 WeakPolarHBondContact CD1-ND2 3.28Å; Y509-N521 PolarHBondContact N-O 3.4Å; Y509-Y527 AromaticContact CD2-CD1 3.98Å; Y509-Y527 HydrophobicContact CD2-CD1 3.98Å; Y509-Y527 AromaticContact CD2-CD2 3.85Å; Y509-Y527 HydrophobicContact CD2-CD2 3.85Å; Y509-Y527 HydrophobicContact CD2-CE1 4.37Å; Y509-Y527 HydrophobicContact CD2-CE2 4.22Å; Y509-Y527 AromaticContact CD2-CG 3.71Å; Y509-Y527 HydrophobicContact CD2-CG 3.71Å; Y509-Y527 AromaticContact CE2-CD1 3.5Å; Y509-Y527 HydrophobicContact CE2-CD1 3.5Å; Y509-Y527 AromaticContact CE2-CD2 3.85Å; Y509-Y527 HydrophobicContact CE2-CD2 3.85Å; Y509-Y527 AromaticContact CE2-CE1 3.5Å; Y509-Y527 HydrophobicContact CE2-CE1 3.5Å; Y509-Y527 VanDerWaalsContact CE2-CE1 3.5Å; Y509-Y527 AromaticContact CE2-CE2 3.82Å; Y509-Y527 HydrophobicContact CE2-CE2 3.82Å; Y509-Y527 AromaticContact CE2-CG 3.69Å; Y509-Y527 HydrophobicContact CE2-CG 3.69Å; Y509-Y527 AromaticContact CE2-CZ 3.66Å
510	D	98.1	Very high	95.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	25%	0.247	C	C	.	.			trans	-154.7	164.9	-173.5	66.5	57	0	0	0	110.9	T457 F458 V459 R512 N521	T457-D510 WeakPolarHBondContact O-CB 3.39Å; F458-D510 WeakPolarHBondContact O-CA 3.35Å; V459-D510 HydrophobicContact CB-CB 4.45Å; V459-D510 HydrophobicContact CG2-CB 3.91Å; D510-R512 VanDerWaalsContact CG-NE 3.27Å; D510-R512 WeakPolarHBondContact OD1-CB 3.28Å; D510-R512 WeakPolarHBondContact OD1-CG 3.39Å; D510-R512 PolarHBondContact OD1-N 3.16Å; D510-R512 VanDerWaalsContact OD1-N 3.15Å; D510-R512 IonicContact OD1-NE 3.83Å; D510-R512 PolarHBondContact OD1-NE 3.32Å; D510-R512 IonicContact OD2-CZ 3.19Å; D510-R512 IonicContact OD2-NE 2.98Å; D510-R512 PolarHBondContact OD2-NE 3.48Å; D510-R512 IonicContact OD2-NH2 2.65Å; D510-R512 PolarHBondContact OD2-NH2 3.13Å; D510-N521 PolarHBondContact OD2-ND2 3.16Å
511	L	97.8	Very high	95.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-103.6	20.1	175.4	-53.1	177.2	0	0	0	113	F441 T457 F458 L497 L500 F501 L508 H513 V514	F441-L511 HydrophobicContact CD2-CD1 4.26Å; F441-L511 HydrophobicContact CE2-CB 3.98Å; F441-L511 HydrophobicContact CE2-CD1 3.85Å; F441-L511 HydrophobicContact CZ-CD1 4.25Å; T457-L511 CarbonylContact O-C 3.55Å; T457-L511 PolarHBondContact O-N 2.87Å; T457-L511 VanDerWaalsContact O-N 3.1Å; F458-L511 HydrophobicContact CB-CB 3.9Å; F458-L511 HydrophobicContact CB-CD1 4.5Å; F458-L511 HydrophobicContact CB-CG 4.31Å; F458-L511 HydrophobicContact CD2-CB 4.22Å; F458-L511 HydrophobicContact CG-CB 4.38Å; F458-L511 PolarHBondContact O-N 3.05Å; L497-L511 HydrophobicContact CB-CD1 4.42Å; L500-L511 HydrophobicContact CB-CD1 4.05Å; L500-L511 HydrophobicContact CB-CD2 3.97Å; L500-L511 HydrophobicContact CD1-CD1 4.1Å; F501-L511 HydrophobicContact CD1-CD2 3.88Å; F501-L511 HydrophobicContact CD1-CG 4.18Å; F501-L511 HydrophobicContact CD2-CD1 4.31Å; F501-L511 HydrophobicContact CD2-CD2 4.3Å; F501-L511 HydrophobicContact CD2-CG 4.42Å; F501-L511 HydrophobicContact CE1-CD1 4.3Å; F501-L511 HydrophobicContact CE1-CD2 3.83Å; F501-L511 HydrophobicContact CE1-CG 3.6Å; F501-L511 HydrophobicContact CE2-CD1 3.66Å; F501-L511 HydrophobicContact CE2-CD2 4.26Å; F501-L511 HydrophobicContact CE2-CG 3.89Å; F501-L511 HydrophobicContact CG-CD2 4.14Å; F501-L511 HydrophobicContact CZ-CD1 3.68Å; F501-L511 HydrophobicContact CZ-CD2 4.05Å; F501-L511 HydrophobicContact CZ-CG 3.46Å; F501-L511 VanDerWaalsContact CZ-CG 3.46Å; L508-L511 HydrophobicContact CD1-CD2 4.1Å; L511-H513 PolarHBondContact O-N 3.35Å; L511-V514 HydrophobicContact CB-CG2 4.37Å; L511-V514 WeakPolarHBondContact O-CB 3.27Å; L511-V514 PolarHBondContact O-N 3.48Å
512	R	95.4	Very high	95.5	Very high	38 Å²	38	44.2 Å²	44.2	14%	0.143	26%	0.264	C	S	.	.	H	α-helix	trans	-58.7	-27.8	-177.1	87.7	-178.8	104.9	165.9	5.9	112.4	T457 D510 V514 A515 L516 N521	T457-R512 HydrophobicContact CG2-CB 4.36Å; T457-R512 PolarHBondContact O-N 3.2Å; D510-R512 VanDerWaalsContact CG-NE 3.27Å; D510-R512 WeakPolarHBondContact OD1-CB 3.28Å; D510-R512 WeakPolarHBondContact OD1-CG 3.39Å; D510-R512 PolarHBondContact OD1-N 3.16Å; D510-R512 VanDerWaalsContact OD1-N 3.15Å; D510-R512 IonicContact OD1-NE 3.83Å; D510-R512 PolarHBondContact OD1-NE 3.32Å; D510-R512 IonicContact OD2-CZ 3.19Å; D510-R512 IonicContact OD2-NE 2.98Å; D510-R512 PolarHBondContact OD2-NE 3.48Å; D510-R512 IonicContact OD2-NH2 2.65Å; D510-R512 PolarHBondContact OD2-NH2 3.13Å; R512-V514 PolarHBondContact O-N 3.38Å; R512-A515 PolarHBondContact O-N 3.13Å; R512-L516 HydrophobicContact CB-CD1 4.39Å; R512-L516 HydrophobicContact CG-CD1 4.09Å; R512-L516 WeakPolarHBondContact O-CB 3.21Å; R512-L516 WeakPolarHBondContact O-CG 3.25Å; R512-L516 PolarHBondContact O-N 3.07Å; R512-N521 VanDerWaalsContact NH2-CG 3.25Å; R512-N521 PolarHBondContact NH2-ND2 3.33Å
513	H	95.2	Very high	95.4	Very high	36 Å²	36	43.2 Å²	43.2	17%	0.167	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-29.9	179.8	69	-83.1	0	0	0	112.8	L508 L511 Q517 T518 A519	L508-H513 WeakPolarHBondContact CD1-CE1 3.14Å; L511-H513 PolarHBondContact O-N 3.35Å; H513-Q517 VanDerWaalsContact O-CA 3.26Å; H513-Q517 WeakPolarHBondContact O-CA 3.25Å; H513-Q517 PolarHBondContact O-N 3.14Å; H513-T518 WeakPolarHBondContact CB-O 3.42Å; H513-T518 PolarHBondContact O-N 3.49Å; H513-A519 WeakPolarHBondContact CB-O 3.48Å
514	V	95.2	Very high	95.3	Very high	55 Å²	55	47.2 Å²	47.2	33%	0.333	27%	0.269	S	S	.	.	H	α-helix	trans	-67.8	-45.8	175.6	-178.2	0	0	0	0	110.4	F441 L442 L511 R512	F441-V514 HydrophobicContact CE2-CB 3.99Å; F441-V514 HydrophobicContact CE2-CG1 3.99Å; F441-V514 HydrophobicContact CE2-CG2 4.09Å; F441-V514 HydrophobicContact CZ-CB 4.22Å; F441-V514 HydrophobicContact CZ-CG1 3.85Å; F441-V514 HydrophobicContact CZ-CG2 4.1Å; L442-V514 HydrophobicContact CD2-CG1 4.23Å; L511-V514 HydrophobicContact CB-CG2 4.37Å; L511-V514 WeakPolarHBondContact O-CB 3.27Å; L511-V514 PolarHBondContact O-N 3.48Å; R512-V514 PolarHBondContact O-N 3.38Å
515	A	90.6	Very high	95.2	Very high	44 Å²	44	48.6 Å²	48.6	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-76.8	-35.6	-178.2	0	0	0	0	0	113.1	P455 R512	P455-A515 HydrophobicContact CB-CB 3.8Å; P455-A515 HydrophobicContact CG-CB 3.99Å; R512-A515 PolarHBondContact O-N 3.13Å
516	L	92.6	Very high	95.1	Very high	37 Å²	37	50 Å²	50	19%	0.194	27%	0.273	C	S	.	.	H	α-helix	trans	-91.1	-7.6	-178	-62.4	-179.1	0	0	0	113.8	A382 L386 P455 R512 T518	A382-L516 HydrophobicContact CB-CD1 3.77Å; L386-L516 HydrophobicContact CD1-CD1 3.89Å; L386-L516 HydrophobicContact CD1-CD2 4.49Å; L386-L516 HydrophobicContact CD2-CD2 4.13Å; L386-L516 HydrophobicContact CG-CD1 4.17Å; L386-L516 HydrophobicContact CG-CD2 4.29Å; P455-L516 HydrophobicContact CG-CD2 3.84Å; R512-L516 HydrophobicContact CB-CD1 4.39Å; R512-L516 HydrophobicContact CG-CD1 4.09Å; R512-L516 WeakPolarHBondContact O-CB 3.21Å; R512-L516 WeakPolarHBondContact O-CG 3.25Å; R512-L516 PolarHBondContact O-N 3.07Å; L516-T518 HydrophobicContact CB-CG2 3.81Å; L516-T518 PolarHBondContact O-N 3.39Å
517	Q	92	Very high	95.1	Very high	183 Å²	183	53 Å²	53	86%	0.855	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	39.6	-173.3	-57.6	-178.7	-11.7	0	0	112.8	H513	H513-Q517 VanDerWaalsContact O-CA 3.26Å; H513-Q517 WeakPolarHBondContact O-CA 3.25Å; H513-Q517 PolarHBondContact O-N 3.14Å
518	T	92.7	Very high	95.1	Very high	56 Å²	56	53 Å²	53	34%	0.344	28%	0.283	S	S	.	.			trans	-105.6	177.1	178.1	62.6	0	0	0	0	111.5	L385 H513 L516	L385-T518 HydrophobicContact CD1-CG2 4.3Å; H513-T518 WeakPolarHBondContact CB-O 3.42Å; H513-T518 PolarHBondContact O-N 3.49Å; L516-T518 HydrophobicContact CB-CG2 3.81Å; L516-T518 PolarHBondContact O-N 3.39Å
519	A	94.1	Very high	95	Very high	84 Å²	84	53 Å²	53	69%	0.694	28%	0.284	S	S	*	.			trans	-60.7	146.2	168.8	0	0	0	0	0	111.7	H513	H513-A519 WeakPolarHBondContact CB-O 3.48Å
520	P	96.1	Very high	94.9	Very high	71 Å²	71	53 Å²	53	46%	0.461	29%	0.286	S	S	.	.			trans	-60	139.1	175.7	-23.8	33.5	0	0	0	113.2	L508 V522	L508-P520 HydrophobicContact CD1-CB 4.26Å; L508-P520 HydrophobicContact CD2-CB 3.64Å; P520-V522 PolarHBondContact O-N 3.07Å
521	N	95.6	Very high	94.9	Very high	51 Å²	51	53 Å²	53	27%	0.273	29%	0.286	S	S	.	.			trans	-88.5	89.3	174.7	-177.5	40.6	0	0	0	110.6	Y509 D510 R512	Y509-N521 WeakPolarHBondContact CB-ND2 3.47Å; Y509-N521 VanDerWaalsContact CD1-ND2 3.33Å; Y509-N521 WeakPolarHBondContact CD1-ND2 3.28Å; Y509-N521 PolarHBondContact N-O 3.4Å; D510-N521 PolarHBondContact OD2-ND2 3.16Å; R512-N521 VanDerWaalsContact NH2-CG 3.25Å; R512-N521 PolarHBondContact NH2-ND2 3.33Å
522	V	96.2	Very high	94.9	Very high	85 Å²	85	53 Å²	53	52%	0.515	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-63.5	134.6	178.6	-177.5	0	0	0	0	110.7	L508 P520 R524	L508-V522 HydrophobicContact CD2-CG2 4.13Å; P520-V522 PolarHBondContact O-N 3.07Å; V522-R524 PolarHBondContact O-N 3.36Å
523	A	96.6	Very high	95	Very high	10 Å²	10	51.3 Å²	51.3	8%	0.083	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-67.1	129.8	177.7	0	0	0	0	0	110.7	S507 H528	S507-A523 WeakPolarHBondContact O-CB 3.48Å; S507-A523 PolarHBondContact O-N 3.14Å; A523-H528 HydrophobicContact CB-CB 4.42Å
524	R	93.5	Very high	95.1	Very high	142 Å²	142	49.6 Å²	49.6	54%	0.536	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-56.8	151.4	164.7	-60.8	-175.3	-63.6	116.4	3.1	109.1	V522 D526 Y527 H528	V522-R524 PolarHBondContact O-N 3.36Å; R524-D526 IonicContact CZ-OD2 3.91Å; R524-D526 IonicContact NH1-OD2 2.73Å; R524-D526 PolarHBondContact NH1-OD2 2.85Å; R524-D526 PolarHBondContact O-N 2.97Å; R524-Y527 HydrophobicContact CB-CD2 4.42Å; R524-Y527 WeakPolarHBondContact O-CA 3.4Å; R524-Y527 PolarHBondContact O-N 2.88Å; R524-H528 PolarHBondContact O-N 3.41Å
525	W	93.1	Very high	95.3	Very high	43 Å²	43	47 Å²	47	16%	0.163	26%	0.256	C	S	.	.	H	α-helix	trans	-49.4	-37.3	179.9	-69.3	126.2	0	0	0	114	H112 S113 A115 Y527 H528 S529	H112-W525 AromaticContact CD2-CH2 3.58Å; H112-W525 AromaticContact CD2-CZ2 3.48Å; H112-W525 VanDerWaalsContact CD2-CZ2 3.48Å; H112-W525 WeakPolarHBondContact CD2-CZ2 3.37Å; H112-W525 AromaticContact NE2-CH2 3.77Å; H112-W525 AromaticContact NE2-CZ2 3.59Å; H112-W525 PolarHBondContact O-NE1 3.29Å; S113-W525 WeakPolarHBondContact OG-CB 3.43Å; A115-W525 VanDerWaalsContact CB-C 3.41Å; A115-W525 HydrophobicContact CB-CB 3.89Å; A115-W525 VanDerWaalsContact CB-O 3.25Å; A115-W525 WeakPolarHBondContact CB-O 3.42Å; W525-Y527 PolarHBondContact O-N 3.23Å; W525-H528 HydrophobicContact CE3-CB 4.28Å; W525-H528 AromaticContact CE3-CD2 3.98Å; W525-H528 AromaticContact CZ3-CD2 3.94Å; W525-H528 PolarHBondContact O-N 3.38Å; W525-S529 PolarHBondContact O-N 2.96Å; W525-S529 PolarHBondContact O-OG 3.47Å
526	D	92.4	Very high	95.6	Very high	83 Å²	83	45.7 Å²	45.7	44%	0.444	24%	0.243	S	C	.	.	H	α-helix	trans	-58.1	-46.7	174.5	-58.9	-34.2	0	0	0	112.6	R524 V530	R524-D526 IonicContact CZ-OD2 3.91Å; R524-D526 IonicContact NH1-OD2 2.73Å; R524-D526 PolarHBondContact NH1-OD2 2.85Å; R524-D526 PolarHBondContact O-N 2.97Å; D526-V530 WeakPolarHBondContact O-CG2 3.42Å; D526-V530 PolarHBondContact O-N 2.73Å
527	Y	96.2	Very high	95.9	Very high	67 Å²	67	44 Å²	44	26%	0.263	23%	0.234	S	C	.	.	H	α-helix	trans	-73.6	-36.6	178.9	-76	-61.9	0	0	0	111.6	Y509 R524 W525 S529 V530 H531	Y509-Y527 AromaticContact CD2-CD1 3.98Å; Y509-Y527 HydrophobicContact CD2-CD1 3.98Å; Y509-Y527 AromaticContact CD2-CD2 3.85Å; Y509-Y527 HydrophobicContact CD2-CD2 3.85Å; Y509-Y527 HydrophobicContact CD2-CE1 4.37Å; Y509-Y527 HydrophobicContact CD2-CE2 4.22Å; Y509-Y527 AromaticContact CD2-CG 3.71Å; Y509-Y527 HydrophobicContact CD2-CG 3.71Å; Y509-Y527 AromaticContact CE2-CD1 3.5Å; Y509-Y527 HydrophobicContact CE2-CD1 3.5Å; Y509-Y527 AromaticContact CE2-CD2 3.85Å; Y509-Y527 HydrophobicContact CE2-CD2 3.85Å; Y509-Y527 AromaticContact CE2-CE1 3.5Å; Y509-Y527 HydrophobicContact CE2-CE1 3.5Å; Y509-Y527 VanDerWaalsContact CE2-CE1 3.5Å; Y509-Y527 AromaticContact CE2-CE2 3.82Å; Y509-Y527 HydrophobicContact CE2-CE2 3.82Å; Y509-Y527 AromaticContact CE2-CG 3.69Å; Y509-Y527 HydrophobicContact CE2-CG 3.69Å; Y509-Y527 AromaticContact CE2-CZ 3.66Å; R524-Y527 HydrophobicContact CB-CD2 4.42Å; R524-Y527 WeakPolarHBondContact O-CA 3.4Å; R524-Y527 PolarHBondContact O-N 2.88Å; W525-Y527 PolarHBondContact O-N 3.23Å; Y527-S529 VanDerWaalsContact C-N 3.32Å; Y527-S529 PolarHBondContact O-N 3.13Å; Y527-V530 WeakPolarHBondContact O-CA 3.42Å; Y527-V530 WeakPolarHBondContact O-CB 3.35Å; Y527-V530 PolarHBondContact O-N 3.16Å; Y527-V530 VanDerWaalsContact O-N 3.1Å; Y527-H531 PolarHBondContact O-CD2 3.44Å; Y527-H531 PolarHBondContact O-N 3.2Å
528	H	96.9	Very high	96.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-57.9	-46.1	174.3	-174.5	75.9	0	0	0	111.4	S507 A523 R524 W525 V530 H531 I532 W554 S558	S507-H528 PolarHBondContact N-CE1 3.11Å; S507-H528 PolarHBondContact N-ND1 3.37Å; S507-H528 VanDerWaalsContact N-ND1 3.13Å; S507-H528 PolarHBondContact OG-ND1 3.41Å; A523-H528 HydrophobicContact CB-CB 4.42Å; R524-H528 PolarHBondContact O-N 3.41Å; W525-H528 HydrophobicContact CE3-CB 4.28Å; W525-H528 AromaticContact CE3-CD2 3.98Å; W525-H528 AromaticContact CZ3-CD2 3.94Å; W525-H528 PolarHBondContact O-N 3.38Å; H528-V530 VanDerWaalsContact C-N 3.32Å; H528-V530 PolarHBondContact O-N 3.12Å; H528-H531 PolarHBondContact O-N 3.18Å; H528-I532 WeakPolarHBondContact O-CG1 3.34Å; H528-I532 PolarHBondContact O-N 3.37Å; H528-W554 AromaticContact CE1-CG 3.76Å; H528-W554 PolarHBondContact NE2-O 3Å; H528-S558 PolarHBondContact CD2-OG 3.24Å; H528-S558 PolarHBondContact NE2-OG 2.7Å
529	S	95.8	Very high	96.3	Very high	8 Å²	8	37.2 Å²	37.2	6%	0.056	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-35.9	173.8	-67.6	0	0	0	0	113.1	A115 W525 Y527 F533	A115-S529 VanDerWaalsContact CB-OG 3.26Å; A115-S529 WeakPolarHBondContact CB-OG 3.4Å; W525-S529 PolarHBondContact O-N 2.96Å; W525-S529 PolarHBondContact O-OG 3.47Å; Y527-S529 VanDerWaalsContact C-N 3.32Å; Y527-S529 PolarHBondContact O-N 3.13Å; S529-F533 PolarHBondContact O-N 3.08Å
530	V	96.7	Very high	96.4	Very high	19 Å²	19	34.1 Å²	34.1	12%	0.115	17%	0.169	C	C	.	.	H	α-helix	trans	-64.2	-43.8	172.9	169.3	0	0	0	0	111	N461 Y465 D526 Y527 H528 I532 F533 Q534	N461-V530 HydrophobicContact CB-CG1 4.19Å; Y465-V530 HydrophobicContact CE2-CG1 4.07Å; D526-V530 WeakPolarHBondContact O-CG2 3.42Å; D526-V530 PolarHBondContact O-N 2.73Å; Y527-V530 WeakPolarHBondContact O-CA 3.42Å; Y527-V530 WeakPolarHBondContact O-CB 3.35Å; Y527-V530 PolarHBondContact O-N 3.16Å; Y527-V530 VanDerWaalsContact O-N 3.1Å; H528-V530 VanDerWaalsContact C-N 3.32Å; H528-V530 PolarHBondContact O-N 3.12Å; V530-I532 PolarHBondContact O-N 3Å; V530-F533 PolarHBondContact O-N 3.22Å; V530-Q534 HydrophobicContact CG1-CG 4.27Å; V530-Q534 WeakPolarHBondContact O-CB 3.42Å; V530-Q534 VanDerWaalsContact O-CG 3.3Å; V530-Q534 WeakPolarHBondContact O-CG 3.43Å; V530-Q534 PolarHBondContact O-N 2.92Å
531	H	98.3	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.2	-43.7	178.1	-59.7	165.1	0	0	0	111.6	L460 S507 L508 Y527 H528 F533 Q534 L535 W554	L460-H531 HydrophobicContact CD2-CB 4.29Å; S507-H531 PolarHBondContact OG-ND1 3.28Å; L508-H531 PolarHBondContact O-CE1 2.74Å; L508-H531 VanDerWaalsContact O-CE1 3.25Å; Y527-H531 PolarHBondContact O-CD2 3.44Å; Y527-H531 PolarHBondContact O-N 3.2Å; H528-H531 PolarHBondContact O-N 3.18Å; H531-F533 PolarHBondContact O-N 3.42Å; H531-Q534 PolarHBondContact O-N 3.32Å; H531-L535 WeakPolarHBondContact O-CG 3.48Å; H531-L535 PolarHBondContact O-N 3.28Å; H531-W554 HydrophobicContact CB-CE3 3.96Å; H531-W554 HydrophobicContact CB-CZ3 3.55Å
532	I	98	Very high	96.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56.1	-51.5	173.6	-68.2	165	0	0	0	110.5	I117 H528 V530 Q534 L535 L536 A551 W554 I555	I117-I532 HydrophobicContact CD1-CD1 3.9Å; I117-I532 HydrophobicContact CG1-CD1 4.08Å; I117-I532 HydrophobicContact CG2-CG2 3.76Å; H528-I532 WeakPolarHBondContact O-CG1 3.34Å; H528-I532 PolarHBondContact O-N 3.37Å; V530-I532 PolarHBondContact O-N 3Å; I532-Q534 VanDerWaalsContact C-N 3.29Å; I532-Q534 PolarHBondContact O-N 3.42Å; I532-L535 PolarHBondContact O-N 2.83Å; I532-L536 HydrophobicContact CG2-CD1 3.92Å; I532-L536 WeakPolarHBondContact O-CG 3.46Å; I532-L536 PolarHBondContact O-N 3.05Å; I532-A551 HydrophobicContact CG2-CB 4.44Å; I532-W554 HydrophobicContact CD1-CB 3.97Å; I532-W554 HydrophobicContact CG1-CB 3.6Å; I532-W554 HydrophobicContact CG1-CE3 4.39Å; I532-I555 HydrophobicContact CD1-CG1 4.09Å; I532-I555 HydrophobicContact CG1-CG1 4.47Å; I532-I555 HydrophobicContact CG2-CD1 3.95Å; I532-I555 HydrophobicContact CG2-CG1 3.6Å
533	F	97.3	Very high	96.5	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.009	16%	0.157	C	C	.	.	H	α-helix	trans	-57.3	-44.1	179	177.8	-87.9	0	0	0	111.8	H118 P120 H133 S529 V530 H531 L536 W537	H118-F533 HydrophobicContact CB-CD2 3.92Å; H118-F533 HydrophobicContact CB-CE2 4.46Å; H118-F533 WeakPolarHBondContact O-CD2 3.34Å; P120-F533 HydrophobicContact CB-CE2 4.38Å; P120-F533 HydrophobicContact CG-CD2 4.41Å; P120-F533 HydrophobicContact CG-CE2 4.08Å; P120-F533 HydrophobicContact CG-CZ 4.49Å; H133-F533 HydrophobicContact CB-CD2 4.41Å; H133-F533 HydrophobicContact CB-CE2 3.81Å; H133-F533 HydrophobicContact CB-CZ 3.93Å; H133-F533 AromaticContact CE1-CD1 3.39Å; H133-F533 WeakPolarHBondContact CE1-CD1 3.41Å; H133-F533 AromaticContact CE1-CE1 3.71Å; H133-F533 AromaticContact CE1-CG 3.67Å; H133-F533 AromaticContact CG-CE2 3.94Å; H133-F533 AromaticContact CG-CZ 3.95Å; H133-F533 AromaticContact ND1-CD1 3.09Å; H133-F533 WeakPolarHBondContact ND1-CD1 3.43Å; H133-F533 AromaticContact ND1-CD2 3.49Å; H133-F533 WeakPolarHBondContact ND1-CD2 3.28Å; H133-F533 AromaticContact ND1-CE1 3Å; H133-F533 WeakPolarHBondContact ND1-CE1 3.46Å; H133-F533 AromaticContact ND1-CE2 3.42Å; H133-F533 WeakPolarHBondContact ND1-CE2 3.44Å; H133-F533 AromaticContact ND1-CG 3.35Å; H133-F533 WeakPolarHBondContact ND1-CG 3.43Å; H133-F533 AromaticContact ND1-CZ 3.19Å; H133-F533 WeakPolarHBondContact ND1-CZ 3.4Å; S529-F533 PolarHBondContact O-N 3.08Å; V530-F533 PolarHBondContact O-N 3.22Å; H531-F533 PolarHBondContact O-N 3.42Å; F533-L536 PolarHBondContact O-N 2.93Å; F533-W537 HydrophobicContact CD1-CE3 4.09Å; F533-W537 HydrophobicContact CE1-CB 4.35Å; F533-W537 HydrophobicContact CE1-CD2 4.05Å; F533-W537 AromaticContact CE1-CE3 3.43Å; F533-W537 HydrophobicContact CE1-CE3 3.43Å; F533-W537 VanDerWaalsContact CE1-CE3 3.43Å; F533-W537 HydrophobicContact CE1-CG 4.49Å; F533-W537 AromaticContact CE1-CZ3 3.92Å; F533-W537 HydrophobicContact CE1-CZ3 3.92Å; F533-W537 HydrophobicContact CZ-CE3 4.41Å; F533-W537 WeakPolarHBondContact O-CB 2.94Å; F533-W537 PolarHBondContact O-N 2.77Å
534	Q	98.1	Very high	96.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-39.5	-179.6	-79.5	179.7	-40.2	0	0	113	N461 I464 V530 H531 I532 W537 L538	N461-Q534 VanDerWaalsContact CA-OE1 3.26Å; N461-Q534 PolarHBondContact O-NE2 3.39Å; I464-Q534 HydrophobicContact CB-CB 4.32Å; I464-Q534 HydrophobicContact CB-CG 4.43Å; I464-Q534 HydrophobicContact CD1-CB 3.99Å; I464-Q534 HydrophobicContact CG2-CB 3.77Å; I464-Q534 HydrophobicContact CG2-CG 4.03Å; V530-Q534 HydrophobicContact CG1-CG 4.27Å; V530-Q534 WeakPolarHBondContact O-CB 3.42Å; V530-Q534 VanDerWaalsContact O-CG 3.3Å; V530-Q534 WeakPolarHBondContact O-CG 3.43Å; V530-Q534 PolarHBondContact O-N 2.92Å; H531-Q534 PolarHBondContact O-N 3.32Å; I532-Q534 VanDerWaalsContact C-N 3.29Å; I532-Q534 PolarHBondContact O-N 3.42Å; Q534-W537 WeakPolarHBondContact O-CB 3.31Å; Q534-W537 PolarHBondContact O-N 2.76Å; Q534-L538 WeakPolarHBondContact O-CG 3.28Å; Q534-L538 PolarHBondContact O-N 3.05Å
535	L	98.5	Very high	96.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.7	-43.1	174.9	-68.3	-177.8	0	0	0	111.7	I464 L498 H531 I532 W537 L538 Y539 Y547 T550 A551 W554	I464-L535 HydrophobicContact CD1-CD2 4.37Å; L498-L535 HydrophobicContact CD1-CD1 4.38Å; L498-L535 HydrophobicContact CD1-CD2 3.92Å; L498-L535 HydrophobicContact CD2-CD2 3.8Å; H531-L535 WeakPolarHBondContact O-CG 3.48Å; H531-L535 PolarHBondContact O-N 3.28Å; I532-L535 PolarHBondContact O-N 2.83Å; L535-W537 VanDerWaalsContact C-N 3.25Å; L535-W537 PolarHBondContact O-N 2.86Å; L535-L538 PolarHBondContact O-N 2.96Å; L535-Y539 WeakPolarHBondContact O-CB 3.5Å; L535-Y539 PolarHBondContact O-N 2.93Å; L535-Y547 HydrophobicContact CD2-CD1 3.97Å; L535-Y547 WeakPolarHBondContact O-CB 2.97Å; L535-T550 HydrophobicContact CD1-CG2 3.65Å; L535-A551 HydrophobicContact CB-CB 3.96Å; L535-A551 HydrophobicContact CD1-CB 4.39Å; L535-W554 HydrophobicContact CD1-CD2 4.41Å; L535-W554 HydrophobicContact CD1-CE3 3.65Å; L535-W554 HydrophobicContact CD1-CH2 4.06Å; L535-W554 HydrophobicContact CD1-CZ3 3.4Å; L535-W554 HydrophobicContact CG-CZ3 4.21Å
536	L	97.5	Very high	96.8	Very high	18 Å²	18	34.9 Å²	34.9	9%	0.094	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-34.8	174.8	-65.6	169.7	0	0	0	111.9	P120 I532 F533 Y539 A540 A551	P120-L536 HydrophobicContact CG-CB 3.71Å; I532-L536 HydrophobicContact CG2-CD1 3.92Å; I532-L536 WeakPolarHBondContact O-CG 3.46Å; I532-L536 PolarHBondContact O-N 3.05Å; F533-L536 PolarHBondContact O-N 2.93Å; L536-Y539 PolarHBondContact O-N 2.86Å; L536-A540 PolarHBondContact O-N 3.46Å; L536-A551 HydrophobicContact CD2-CB 3.74Å; L536-A551 HydrophobicContact CG-CB 3.83Å
537	W	97.5	Very high	97.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.3	-47.6	174.2	-170.8	-1.2	0	0	0	111.6	F122 Y125 F131 G132 Y465 I468 F533 Q534 L535 Y539 A540 I541	F122-W537 AromaticContact CE2-CD1 3.47Å; F122-W537 VanDerWaalsContact CE2-CD1 3.47Å; F122-W537 HydrophobicContact CE2-CG 4.18Å; F122-W537 AromaticContact CE2-NE1 3.8Å; F122-W537 AromaticContact CZ-CD1 3.46Å; F122-W537 VanDerWaalsContact CZ-CD1 3.46Å; F122-W537 HydrophobicContact CZ-CD2 4.19Å; F122-W537 AromaticContact CZ-CE2 3.94Å; F122-W537 AromaticContact CZ-CG 3.88Å; F122-W537 HydrophobicContact CZ-CG 3.88Å; F122-W537 AromaticContact CZ-NE1 3.52Å; Y125-W537 AromaticContact CD1-NE1 3.59Å; Y125-W537 AromaticContact CD2-CE2 3.84Å; Y125-W537 HydrophobicContact CD2-CZ2 4.07Å; Y125-W537 AromaticContact CD2-NE1 3.09Å; Y125-W537 HydrophobicContact CE1-CZ2 4.25Å; Y125-W537 AromaticContact CE1-NE1 3.84Å; Y125-W537 AromaticContact CE2-CE2 3.68Å; Y125-W537 AromaticContact CE2-CZ2 3.42Å; Y125-W537 HydrophobicContact CE2-CZ2 3.42Å; Y125-W537 VanDerWaalsContact CE2-CZ2 3.42Å; Y125-W537 AromaticContact CE2-NE1 3.4Å; Y125-W537 AromaticContact CG-CD1 3.98Å; Y125-W537 AromaticContact CG-NE1 3.2Å; Y125-W537 AromaticContact CZ-CE2 3.95Å; Y125-W537 AromaticContact CZ-CZ2 3.52Å; Y125-W537 AromaticContact CZ-NE1 3.76Å; F131-W537 AromaticContact CD1-CH2 3.83Å; F131-W537 HydrophobicContact CD1-CH2 3.83Å; F131-W537 AromaticContact CD2-CH2 3.89Å; F131-W537 HydrophobicContact CD2-CH2 3.89Å; F131-W537 HydrophobicContact CD2-CZ2 4.22Å; F131-W537 AromaticContact CE1-CH2 3.67Å; F131-W537 HydrophobicContact CE1-CH2 3.67Å; F131-W537 HydrophobicContact CE1-CZ3 4.18Å; F131-W537 AromaticContact CE2-CH2 3.73Å; F131-W537 HydrophobicContact CE2-CH2 3.73Å; F131-W537 HydrophobicContact CE2-CZ2 4.21Å; F131-W537 AromaticContact CG-CH2 3.95Å; F131-W537 HydrophobicContact CG-CH2 3.95Å; F131-W537 AromaticContact CZ-CH2 3.62Å; F131-W537 HydrophobicContact CZ-CH2 3.62Å; F131-W537 HydrophobicContact CZ-CZ3 4.29Å; G132-W537 VanDerWaalsContact N-CH2 3.34Å; Y465-W537 HydrophobicContact CD1-CZ3 4.4Å; Y465-W537 HydrophobicContact CE1-CZ3 4.01Å; I468-W537 HydrophobicContact CD1-CD2 3.99Å; I468-W537 HydrophobicContact CD1-CE3 4.35Å; I468-W537 HydrophobicContact CD1-CG 4.27Å; I468-W537 HydrophobicContact CG1-CD2 4.23Å; I468-W537 HydrophobicContact CG1-CE3 4.13Å; I468-W537 HydrophobicContact CG1-CH2 4.35Å; I468-W537 HydrophobicContact CG1-CZ2 4.38Å; I468-W537 HydrophobicContact CG1-CZ3 4.21Å; I468-W537 HydrophobicContact CG2-CH2 3.71Å; I468-W537 HydrophobicContact CG2-CZ2 3.47Å; I468-W537 VanDerWaalsContact CG2-CZ2 3.47Å; I468-W537 HydrophobicContact CG2-CZ3 4.39Å; F533-W537 HydrophobicContact CD1-CE3 4.09Å; F533-W537 HydrophobicContact CE1-CB 4.35Å; F533-W537 HydrophobicContact CE1-CD2 4.05Å; F533-W537 AromaticContact CE1-CE3 3.43Å; F533-W537 HydrophobicContact CE1-CE3 3.43Å; F533-W537 VanDerWaalsContact CE1-CE3 3.43Å; F533-W537 HydrophobicContact CE1-CG 4.49Å; F533-W537 AromaticContact CE1-CZ3 3.92Å; F533-W537 HydrophobicContact CE1-CZ3 3.92Å; F533-W537 HydrophobicContact CZ-CE3 4.41Å; F533-W537 WeakPolarHBondContact O-CB 2.94Å; F533-W537 PolarHBondContact O-N 2.77Å; Q534-W537 WeakPolarHBondContact O-CB 3.31Å; Q534-W537 PolarHBondContact O-N 2.76Å; L535-W537 VanDerWaalsContact C-N 3.25Å; L535-W537 PolarHBondContact O-N 2.86Å; W537-Y539 VanDerWaalsContact C-N 3.28Å; W537-Y539 PolarHBondContact O-N 3.21Å; W537-A540 WeakPolarHBondContact O-CB 3.44Å; W537-A540 PolarHBondContact O-N 3.1Å; W537-A540 VanDerWaalsContact O-N 3.08Å; W537-I541 PolarHBondContact O-N 3.06Å
538	L	98	Very high	97.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.2	-37.6	174.8	-73.4	173.2	0	0	0	111.9	I464 I468 L491 L494 Q534 L535 A540 I541 E542 Y547	I464-L538 HydrophobicContact CD1-CD1 4.37Å; I464-L538 HydrophobicContact CG1-CD1 4.25Å; I464-L538 HydrophobicContact CG2-CD1 3.65Å; I464-L538 HydrophobicContact CG2-CD2 4.4Å; I464-L538 HydrophobicContact CG2-CG 3.99Å; I468-L538 HydrophobicContact CD1-CD2 3.91Å; L491-L538 HydrophobicContact CD2-CD2 4.29Å; L494-L538 HydrophobicContact CD2-CD1 3.3Å; Q534-L538 WeakPolarHBondContact O-CG 3.28Å; Q534-L538 PolarHBondContact O-N 3.05Å; L535-L538 PolarHBondContact O-N 2.96Å; L538-A540 VanDerWaalsContact C-N 3.32Å; L538-A540 PolarHBondContact O-N 3.18Å; L538-I541 PolarHBondContact O-N 3.36Å; L538-I541 VanDerWaalsContact O-N 3.1Å; L538-E542 PolarHBondContact O-N 3.18Å; L538-Y547 HydrophobicContact CB-CD2 3.83Å; L538-Y547 HydrophobicContact CB-CE2 3.97Å; L538-Y547 HydrophobicContact CB-CG 4.13Å; L538-Y547 HydrophobicContact CD1-CE1 4.28Å
539	Y	97.1	Very high	97.2	Very high	97 Å²	97	32.8 Å²	32.8	38%	0.38	18%	0.177	S	C	.	.	H	α-helix	trans	-60.7	-39.9	172.5	178.6	-113.5	0	0	0	112.4	L535 L536 W537 I541 G543 D544	L535-Y539 WeakPolarHBondContact O-CB 3.5Å; L535-Y539 PolarHBondContact O-N 2.93Å; L536-Y539 PolarHBondContact O-N 2.86Å; W537-Y539 VanDerWaalsContact C-N 3.28Å; W537-Y539 PolarHBondContact O-N 3.21Å; Y539-I541 PolarHBondContact O-N 3.12Å; Y539-G543 WeakPolarHBondContact CE2-O 3.24Å; Y539-G543 VanDerWaalsContact O-CA 3.28Å; Y539-G543 WeakPolarHBondContact O-CA 3.35Å; Y539-G543 PolarHBondContact O-N 2.96Å; Y539-D544 WeakPolarHBondContact CD2-O 3.43Å
540	A	95.9	Very high	97.3	Very high	19 Å²	19	32.7 Å²	32.7	16%	0.157	18%	0.176	C	C	.	.	H	α-helix	trans	-69.2	-15	175.8	0	0	0	0	0	114	F122 L536 W537 L538	F122-A540 HydrophobicContact CD2-CB 4.26Å; F122-A540 HydrophobicContact CE2-CB 4.16Å; L536-A540 PolarHBondContact O-N 3.46Å; W537-A540 WeakPolarHBondContact O-CB 3.44Å; W537-A540 PolarHBondContact O-N 3.1Å; W537-A540 VanDerWaalsContact O-N 3.08Å; L538-A540 VanDerWaalsContact C-N 3.32Å; L538-A540 PolarHBondContact O-N 3.18Å
541	I	96.9	Very high	97.4	Very high	27 Å²	27	31.8 Å²	31.8	14%	0.138	17%	0.171	C	C	.	.	H	α-helix	trans	-94.6	-55.9	175.1	-65.3	167.7	0	0	0	110.4	Y125 I468 Y471 W537 L538 Y539	Y125-I541 HydrophobicContact CD1-CD1 3.64Å; Y125-I541 HydrophobicContact CD1-CG1 3.81Å; Y125-I541 HydrophobicContact CE1-CD1 4.34Å; Y125-I541 HydrophobicContact CG-CD1 4.19Å; Y125-I541 HydrophobicContact CG-CG1 4.06Å; I468-I541 HydrophobicContact CD1-CD1 3.62Å; Y471-I541 HydrophobicContact CD1-CD1 4.43Å; Y471-I541 HydrophobicContact CD2-CG2 3.66Å; Y471-I541 HydrophobicContact CE1-CG2 4.47Å; Y471-I541 HydrophobicContact CE2-CG2 3.35Å; Y471-I541 HydrophobicContact CG-CG2 4.34Å; W537-I541 PolarHBondContact O-N 3.06Å; L538-I541 PolarHBondContact O-N 3.36Å; L538-I541 VanDerWaalsContact O-N 3.1Å; Y539-I541 PolarHBondContact O-N 3.12Å
542	E	96.2	Very high	97.3	Very high	83 Å²	83	35.5 Å²	35.5	39%	0.388	19%	0.191	S	C	.	.	H	α-helix	trans	-96.8	-23.1	-167.3	-64.8	-62.2	133.1	0	0	113.8	Y487 L491 L538 D544 Y547	Y487-E542 WeakPolarHBondContact CE1-OE1 3.37Å; Y487-E542 PolarHBondContact OH-OE1 2.97Å; L491-E542 VanDerWaalsContact CD1-CD 3.5Å; L491-E542 HydrophobicContact CD1-CG 4Å; L491-E542 HydrophobicContact CD2-CG 4.33Å; L538-E542 PolarHBondContact O-N 3.18Å; E542-D544 PolarHBondContact O-N 3.25Å; E542-Y547 HydrophobicContact CB-CE2 4.09Å; E542-Y547 HydrophobicContact CG-CE2 4.36Å
543	G	95.4	Very high	97.2	Very high	45 Å²	45	39.7 Å²	39.7	46%	0.464	21%	0.206	S	C	.	.			trans	70.6	4.1	-175.7	0	0	0	0	0	115.5	Y539 K545	Y539-G543 WeakPolarHBondContact CE2-O 3.24Å; Y539-G543 VanDerWaalsContact O-CA 3.28Å; Y539-G543 WeakPolarHBondContact O-CA 3.35Å; Y539-G543 PolarHBondContact O-N 2.96Å; G543-K545 PolarHBondContact O-N 3.28Å
544	D	96.3	Very high	97.2	Very high	58 Å²	58	39.6 Å²	39.6	31%	0.31	21%	0.206	S	C	.	.			trans	-69.2	119.5	178.4	-171.7	-17.8	0	0	0	111.4	N495 Y539 E542 L546 Y547	N495-D544 PolarHBondContact ND2-OD2 3.21Å; Y539-D544 WeakPolarHBondContact CD2-O 3.43Å; E542-D544 PolarHBondContact O-N 3.25Å; D544-L546 PolarHBondContact O-N 2.76Å; D544-L546 VanDerWaalsContact O-N 3.16Å; D544-L546 VanDerWaalsContact OD1-CB 3.31Å; D544-L546 WeakPolarHBondContact OD1-CB 3.41Å; D544-L546 PolarHBondContact OD1-N 3.47Å; D544-Y547 HydrophobicContact CB-CD2 3.87Å; D544-Y547 HydrophobicContact CB-CE2 3.75Å; D544-Y547 PolarHBondContact O-N 2.8Å
545	K	97	Very high	97.2	Very high	152 Å²	152	40.4 Å²	40.4	66%	0.661	21%	0.21	S	C	*	.	H	α-helix	trans	-63.3	-19	-178.6	-68.8	-176	179.7	178.6	0	113.7	G543 Y547 S548 T549	G543-K545 PolarHBondContact O-N 3.28Å; K545-Y547 PolarHBondContact O-N 3.28Å; K545-S548 PolarHBondContact O-N 2.83Å; K545-S548 PolarHBondContact O-OG 3.05Å; K545-T549 WeakPolarHBondContact O-CB 3.48Å; K545-T549 PolarHBondContact O-N 3.23Å; K545-T549 PolarHBondContact O-OG1 2.93Å
546	L	97.7	Very high	97	Very high	54 Å²	54	45.3 Å²	45.3	28%	0.283	23%	0.229	S	C	.	.	H	α-helix	trans	-53.1	-43	173.2	174.4	62.8	0	0	0	110.9	N495 L498 D544 T550	N495-L546 HydrophobicContact CB-CD2 4.03Å; L498-L546 HydrophobicContact CD2-CD2 4.27Å; L498-L546 HydrophobicContact CD2-CG 4.05Å; D544-L546 PolarHBondContact O-N 2.76Å; D544-L546 VanDerWaalsContact O-N 3.16Å; D544-L546 VanDerWaalsContact OD1-CB 3.31Å; D544-L546 WeakPolarHBondContact OD1-CB 3.41Å; D544-L546 PolarHBondContact OD1-N 3.47Å; L546-T550 VanDerWaalsContact O-CB 3.28Å; L546-T550 WeakPolarHBondContact O-CB 3.5Å; L546-T550 PolarHBondContact O-N 2.81Å; L546-T550 VanDerWaalsContact O-N 3.08Å; L546-T550 PolarHBondContact O-OG1 2.88Å
547	Y	98.2	Very high	96.9	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-71.3	-49.1	-176.4	-54.4	-46.1	0	0	0	112.3	L491 L494 N495 L498 L535 L538 E542 D544 K545 T550 A551	L491-Y547 WeakPolarHBondContact CD2-OH 3.37Å; L494-Y547 HydrophobicContact CD2-CE1 3.82Å; L494-Y547 HydrophobicContact CG-CE1 4.25Å; N495-Y547 VanDerWaalsContact OD1-CE1 3.3Å; N495-Y547 WeakPolarHBondContact OD1-CE1 3.25Å; N495-Y547 VanDerWaalsContact OD1-CZ 3.31Å; N495-Y547 PolarHBondContact OD1-OH 3.31Å; L498-Y547 HydrophobicContact CD2-CD1 4Å; L498-Y547 HydrophobicContact CD2-CE1 4.4Å; L535-Y547 HydrophobicContact CD2-CD1 3.97Å; L535-Y547 WeakPolarHBondContact O-CB 2.97Å; L538-Y547 HydrophobicContact CB-CD2 3.83Å; L538-Y547 HydrophobicContact CB-CE2 3.97Å; L538-Y547 HydrophobicContact CB-CG 4.13Å; L538-Y547 HydrophobicContact CD1-CE1 4.28Å; E542-Y547 HydrophobicContact CB-CE2 4.09Å; E542-Y547 HydrophobicContact CG-CE2 4.36Å; D544-Y547 HydrophobicContact CB-CD2 3.87Å; D544-Y547 HydrophobicContact CB-CE2 3.75Å; D544-Y547 PolarHBondContact O-N 2.8Å; K545-Y547 PolarHBondContact O-N 3.28Å; Y547-T550 PolarHBondContact O-N 2.88Å; Y547-A551 VanDerWaalsContact O-CB 3.28Å; Y547-A551 WeakPolarHBondContact O-CB 3.2Å; Y547-A551 PolarHBondContact O-N 2.03Å
548	S	97.1	Very high	96.7	Very high	18 Å²	18	45 Å²	45	13%	0.126	23%	0.228	C	C	.	.	H	α-helix	trans	-65.2	-42.5	179.4	52.5	0	0	0	0	111.9	K545 T550 A551 D552	K545-S548 PolarHBondContact O-N 2.83Å; K545-S548 PolarHBondContact O-OG 3.05Å; S548-T550 VanDerWaalsContact C-N 3.35Å; S548-T550 PolarHBondContact O-N 2.85Å; S548-A551 PolarHBondContact O-N 3.2Å; S548-D552 WeakPolarHBondContact O-CB 3.46Å; S548-D552 PolarHBondContact O-N 2.97Å
549	T	97.8	Very high	96.4	Very high	86 Å²	86	53.7 Å²	53.7	53%	0.528	26%	0.26	S	S	.	.	H	α-helix	trans	-61.4	-43.3	177.1	-55.3	0	0	0	0	111.8	K545 R553	K545-T549 WeakPolarHBondContact O-CB 3.48Å; K545-T549 PolarHBondContact O-N 3.23Å; K545-T549 PolarHBondContact O-OG1 2.93Å; T549-R553 PolarHBondContact O-N 2.78Å; T549-R553 VanDerWaalsContact O-N 3.16Å
550	T	98.1	Very high	96.1	Very high	6 Å²	6	50.5 Å²	50.5	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-42.9	177.6	-57.6	0	0	0	0	111.1	L498 L535 L546 Y547 S548 D552 R553 W554	L498-T550 HydrophobicContact CD1-CG2 4.47Å; L498-T550 HydrophobicContact CD2-CG2 4.32Å; L498-T550 HydrophobicContact CG-CG2 4.33Å; L535-T550 HydrophobicContact CD1-CG2 3.65Å; L546-T550 VanDerWaalsContact O-CB 3.28Å; L546-T550 WeakPolarHBondContact O-CB 3.5Å; L546-T550 PolarHBondContact O-N 2.81Å; L546-T550 VanDerWaalsContact O-N 3.08Å; L546-T550 PolarHBondContact O-OG1 2.88Å; Y547-T550 PolarHBondContact O-N 2.88Å; S548-T550 VanDerWaalsContact C-N 3.35Å; S548-T550 PolarHBondContact O-N 2.85Å; T550-D552 PolarHBondContact O-N 2.94Å; T550-R553 PolarHBondContact O-N 2.91Å; T550-W554 HydrophobicContact CG2-CD2 4.04Å; T550-W554 HydrophobicContact CG2-CE3 4.46Å; T550-W554 HydrophobicContact CG2-CH2 4.2Å; T550-W554 HydrophobicContact CG2-CZ2 3.75Å; T550-W554 HydrophobicContact CG2-CZ3 4.49Å; T550-W554 PolarHBondContact O-N 2.77Å
551	A	97.8	Very high	96	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-46.5	176.1	0	0	0	0	0	111.9	I532 L535 L536 Y547 S548 R553 W554 I555	I532-A551 HydrophobicContact CG2-CB 4.44Å; L535-A551 HydrophobicContact CB-CB 3.96Å; L535-A551 HydrophobicContact CD1-CB 4.39Å; L536-A551 HydrophobicContact CD2-CB 3.74Å; L536-A551 HydrophobicContact CG-CB 3.83Å; Y547-A551 VanDerWaalsContact O-CB 3.28Å; Y547-A551 WeakPolarHBondContact O-CB 3.2Å; Y547-A551 PolarHBondContact O-N 2.03Å; S548-A551 PolarHBondContact O-N 3.2Å; A551-R553 VanDerWaalsContact C-N 3.3Å; A551-R553 PolarHBondContact O-N 2.93Å; A551-W554 CarbonylContact O-C 3.54Å; A551-W554 PolarHBondContact O-N 3.24Å; A551-W554 VanDerWaalsContact O-N 3.14Å; A551-I555 VanDerWaalsContact O-CG1 3.25Å; A551-I555 WeakPolarHBondContact O-CG1 3.48Å; A551-I555 PolarHBondContact O-N 3.42Å
552	D	97.1	Very high	95.8	Very high	79 Å²	79	61.4 Å²	61.4	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-40.8	177.9	-75.9	-20.7	0	0	0	112	S548 T550 I555 R556	S548-D552 WeakPolarHBondContact O-CB 3.46Å; S548-D552 PolarHBondContact O-N 2.97Å; T550-D552 PolarHBondContact O-N 2.94Å; D552-I555 PolarHBondContact O-N 2.82Å; D552-R556 WeakPolarHBondContact O-CG 2.93Å; D552-R556 PolarHBondContact O-N 2.87Å
553	R	96.8	Very high	95.6	Very high	87 Å²	87	60.2 Å²	60.2	33%	0.328	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-43.8	174.2	-179.6	171.1	58	-170.4	-7.6	111.7	D502 T549 T550 A551 R556 F557	D502-R553 IonicContact OD2-CZ 3.39Å; D502-R553 IonicContact OD2-NE 2.95Å; D502-R553 PolarHBondContact OD2-NE 2.92Å; D502-R553 IonicContact OD2-NH1 3.79Å; D502-R553 IonicContact OD2-NH2 2.68Å; D502-R553 PolarHBondContact OD2-NH2 3.47Å; T549-R553 PolarHBondContact O-N 2.78Å; T549-R553 VanDerWaalsContact O-N 3.16Å; T550-R553 PolarHBondContact O-N 2.91Å; A551-R553 VanDerWaalsContact C-N 3.3Å; A551-R553 PolarHBondContact O-N 2.93Å; R553-R556 WeakPolarHBondContact O-CB 3.31Å; R553-R556 PolarHBondContact O-N 3.31Å; R553-F557 HydrophobicContact CG-CE1 3.83Å; R553-F557 HydrophobicContact CG-CE2 3.91Å; R553-F557 HydrophobicContact CG-CZ 3.41Å; R553-F557 VanDerWaalsContact CG-CZ 3.41Å; R553-F557 WeakPolarHBondContact O-CD1 3.46Å; R553-F557 WeakPolarHBondContact O-CG 3.31Å; R553-F557 PolarHBondContact O-N 3.25Å; R553-F557 VanDerWaalsContact O-N 3.12Å
554	W	97.3	Very high	95.4	Very high	0 Å²	0	68 Å²	68	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.9	-34.3	177.2	-71.3	4.4	0	0	0	112.9	L460 L498 F501 D502 H528 H531 I532 L535 T550 A551 R556 F557 S558	L460-W554 HydrophobicContact CD2-CH2 3.79Å; L460-W554 HydrophobicContact CD2-CZ3 4.15Å; L498-W554 HydrophobicContact CD1-CH2 3.85Å; L498-W554 HydrophobicContact CD1-CZ2 4.43Å; F501-W554 HydrophobicContact CB-CH2 4.21Å; F501-W554 HydrophobicContact CB-CZ2 4.23Å; D502-W554 HydrophobicContact CB-CZ2 4.41Å; D502-W554 VanDerWaalsContact CG-NE1 3.33Å; D502-W554 PolarHBondContact OD2-NE1 2.86Å; H528-W554 AromaticContact CE1-CG 3.76Å; H528-W554 PolarHBondContact NE2-O 3Å; H531-W554 HydrophobicContact CB-CE3 3.96Å; H531-W554 HydrophobicContact CB-CZ3 3.55Å; I532-W554 HydrophobicContact CD1-CB 3.97Å; I532-W554 HydrophobicContact CG1-CB 3.6Å; I532-W554 HydrophobicContact CG1-CE3 4.39Å; L535-W554 HydrophobicContact CD1-CD2 4.41Å; L535-W554 HydrophobicContact CD1-CE3 3.65Å; L535-W554 HydrophobicContact CD1-CH2 4.06Å; L535-W554 HydrophobicContact CD1-CZ3 3.4Å; L535-W554 HydrophobicContact CG-CZ3 4.21Å; T550-W554 HydrophobicContact CG2-CD2 4.04Å; T550-W554 HydrophobicContact CG2-CE3 4.46Å; T550-W554 HydrophobicContact CG2-CH2 4.2Å; T550-W554 HydrophobicContact CG2-CZ2 3.75Å; T550-W554 HydrophobicContact CG2-CZ3 4.49Å; T550-W554 PolarHBondContact O-N 2.77Å; A551-W554 CarbonylContact O-C 3.54Å; A551-W554 PolarHBondContact O-N 3.24Å; A551-W554 VanDerWaalsContact O-N 3.14Å; W554-R556 VanDerWaalsContact C-N 3.27Å; W554-R556 PolarHBondContact O-N 3.21Å; W554-F557 AromaticContact CD1-CD2 3.57Å; W554-F557 AromaticContact CD1-CE2 3.49Å; W554-F557 VanDerWaalsContact CD1-CE2 3.49Å; W554-F557 HydrophobicContact CG-CD2 4.31Å; W554-F557 WeakPolarHBondContact O-CB 3.45Å; W554-F557 PolarHBondContact O-N 3.06Å; W554-F557 VanDerWaalsContact O-N 3.16Å; W554-S558 PolarHBondContact O-N 3.22Å; W554-S558 VanDerWaalsContact O-N 3.11Å; W554-S558 PolarHBondContact O-OG 2.78Å
555	I	96.6	Very high	94.7	Very high	17 Å²	17	73.2 Å²	73.2	9%	0.087	34%	0.344	C	S	.	.	H	α-helix	trans	-58.3	-41.9	170.9	-70.1	165.8	0	0	0	110.6	I117 I532 A551 D552 S558	I117-I555 HydrophobicContact CD1-CB 4.42Å; I117-I555 HydrophobicContact CD1-CG1 4.19Å; I117-I555 HydrophobicContact CD1-CG2 4.26Å; I117-I555 HydrophobicContact CG2-CG1 4.34Å; I532-I555 HydrophobicContact CD1-CG1 4.09Å; I532-I555 HydrophobicContact CG1-CG1 4.47Å; I532-I555 HydrophobicContact CG2-CD1 3.95Å; I532-I555 HydrophobicContact CG2-CG1 3.6Å; A551-I555 VanDerWaalsContact O-CG1 3.25Å; A551-I555 WeakPolarHBondContact O-CG1 3.48Å; A551-I555 PolarHBondContact O-N 3.42Å; D552-I555 PolarHBondContact O-N 2.82Å; I555-S558 WeakPolarHBondContact O-CB 3.48Å; I555-S558 PolarHBondContact O-N 2.73Å
556	R	95.6	Very high	94	Very high	103 Å²	103	76.4 Å²	76.4	39%	0.389	37%	0.368	S	S	.	.	H	α-helix	trans	-65.5	-38.5	176.3	-69.1	-170.9	-50.7	-102.3	2.7	112.2	D552 R553 W554 S558 R559 G560 E561	D552-R556 WeakPolarHBondContact O-CG 2.93Å; D552-R556 PolarHBondContact O-N 2.87Å; R553-R556 WeakPolarHBondContact O-CB 3.31Å; R553-R556 PolarHBondContact O-N 3.31Å; W554-R556 VanDerWaalsContact C-N 3.27Å; W554-R556 PolarHBondContact O-N 3.21Å; R556-S558 VanDerWaalsContact C-N 3.27Å; R556-S558 PolarHBondContact O-N 2.72Å; R556-R559 CarbonylContact O-C 3.58Å; R556-R559 WeakPolarHBondContact O-CA 3.34Å; R556-R559 WeakPolarHBondContact O-CB 3.29Å; R556-R559 PolarHBondContact O-N 3.46Å; R556-G560 PolarHBondContact O-N 2.68Å; R556-E561 HydrophobicContact CB-CB 3.98Å; R556-E561 HydrophobicContact CB-CG 4.23Å; R556-E561 VanDerWaalsContact CD-OE2 3.24Å; R556-E561 WeakPolarHBondContact CD-OE2 3.08Å; R556-E561 WeakPolarHBondContact CG-OE1 3.23Å; R556-E561 IonicContact NE-OE2 3.73Å; R556-E561 WeakPolarHBondContact O-CB 3.44Å; R556-E561 PolarHBondContact O-N 2.64Å
557	F	94.6	Very high	93.8	Very high	5 Å²	5	77.5 Å²	77.5	2%	0.022	37%	0.373	C	S	.	.	H	α-helix	trans	-59.1	-37.5	173.4	-60	-20.6	0	0	0	112.7	H112 D502 G504 R553 W554 R559 G560 E561	H112-F557 PolarHBondContact CD2-O 2.86Å; D502-F557 WeakPolarHBondContact OD1-CE2 3.31Å; G504-F557 WeakPolarHBondContact O-CE1 3.37Å; R553-F557 HydrophobicContact CG-CE1 3.83Å; R553-F557 HydrophobicContact CG-CE2 3.91Å; R553-F557 HydrophobicContact CG-CZ 3.41Å; R553-F557 VanDerWaalsContact CG-CZ 3.41Å; R553-F557 WeakPolarHBondContact O-CD1 3.46Å; R553-F557 WeakPolarHBondContact O-CG 3.31Å; R553-F557 PolarHBondContact O-N 3.25Å; R553-F557 VanDerWaalsContact O-N 3.12Å; W554-F557 AromaticContact CD1-CD2 3.57Å; W554-F557 AromaticContact CD1-CE2 3.49Å; W554-F557 VanDerWaalsContact CD1-CE2 3.49Å; W554-F557 HydrophobicContact CG-CD2 4.31Å; W554-F557 WeakPolarHBondContact O-CB 3.45Å; W554-F557 PolarHBondContact O-N 3.06Å; W554-F557 VanDerWaalsContact O-N 3.16Å; F557-R559 PolarHBondContact O-N 2.73Å; F557-R559 VanDerWaalsContact O-N 3.08Å; F557-G560 PolarHBondContact O-N 2.76Å; F557-E561 WeakPolarHBondContact CA-O 3.44Å; F557-E561 VanDerWaalsContact CD1-O 3.28Å; F557-E561 WeakPolarHBondContact CD1-O 3.28Å
558	S	92.3	Very high	93.6	Very high	8 Å²	8	81.5 Å²	81.5	6%	0.056	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-10.6	174.3	-61.9	0	0	0	0	114.3	S113 H528 W554 I555 R556	S113-S558 WeakPolarHBondContact CB-O 3.38Å; S113-S558 PolarHBondContact N-O 3.18Å; H528-S558 PolarHBondContact CD2-OG 3.24Å; H528-S558 PolarHBondContact NE2-OG 2.7Å; W554-S558 PolarHBondContact O-N 3.22Å; W554-S558 VanDerWaalsContact O-N 3.11Å; W554-S558 PolarHBondContact O-OG 2.78Å; I555-S558 WeakPolarHBondContact O-CB 3.48Å; I555-S558 PolarHBondContact O-N 2.73Å; R556-S558 VanDerWaalsContact C-N 3.27Å; R556-S558 PolarHBondContact O-N 2.72Å
559	R	92.2	Very high	93.4	Very high	181 Å²	181	85 Å²	85	68%	0.683	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	5.7	175.3	-59.3	175.4	-177.2	175	0.5	112.7	R556 F557	R556-R559 CarbonylContact O-C 3.58Å; R556-R559 WeakPolarHBondContact O-CA 3.34Å; R556-R559 WeakPolarHBondContact O-CB 3.29Å; R556-R559 PolarHBondContact O-N 3.46Å; F557-R559 PolarHBondContact O-N 2.73Å; F557-R559 VanDerWaalsContact O-N 3.08Å
560	G	90.7	Very high	93.2	Very high	30 Å²	30	84.9 Å²	84.9	31%	0.309	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	1.7	178.2	0	0	0	0	0	114.7	H112 R556 F557	H112-G560 VanDerWaalsContact CD2-CA 3.5Å; H112-G560 WeakPolarHBondContact CD2-CA 3.43Å; H112-G560 PolarHBondContact CD2-N 2.93Å; H112-G560 VanDerWaalsContact CG-CA 3.49Å; R556-G560 PolarHBondContact O-N 2.68Å; F557-G560 PolarHBondContact O-N 2.76Å
561	E	93.4	Very high	92.9	Very high	93 Å²	93	89.9 Å²	89.9	44%	0.435	42%	0.422	S	S	.	.			trans	-67.8	153	170.1	-61.9	-177.8	-130	0	0	110.4	R556 F557	R556-E561 HydrophobicContact CB-CB 3.98Å; R556-E561 HydrophobicContact CB-CG 4.23Å; R556-E561 VanDerWaalsContact CD-OE2 3.24Å; R556-E561 WeakPolarHBondContact CD-OE2 3.08Å; R556-E561 WeakPolarHBondContact CG-OE1 3.23Å; R556-E561 IonicContact NE-OE2 3.73Å; R556-E561 WeakPolarHBondContact O-CB 3.44Å; R556-E561 PolarHBondContact O-N 2.64Å; F557-E561 WeakPolarHBondContact CA-O 3.44Å; F557-E561 VanDerWaalsContact CD1-O 3.28Å; F557-E561 WeakPolarHBondContact CD1-O 3.28Å
562	R	93.2	Very high	92.5	Very high	182 Å²	182	95.9 Å²	95.9	69%	0.687	45%	0.45	S	S	*	.			trans	-132.6	159.1	177.6	-62.6	-176.9	178.2	-176.6	-1.9	109.5	G504	G504-R562 CarbonylContact O-C 3.55Å; G504-R562 WeakPolarHBondContact O-CA 3.37Å
563	A	92.2	Very high	92.2	Very high	59 Å²	59	97.1 Å²	97.1	49%	0.488	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-55.6	146.8	167.2	0	0	0	0	0	109.6	G504	G504-A563 PolarHBondContact O-N 3.23Å
564	K	90.4	Very high	91.9	Very high	207 Å²	207	97.8 Å²	97.8	90%	0.9	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-62.2	141.3	179.1	-64.7	-174.9	177.5	-175.7	0	109.7
565	H	82.6	Confident	91.4	Very high	169 Å²	169	106 Å²	106	78%	0.782	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-72.9	160.3	162.7	63.6	76.6	0	0	0	109.3
566	N	83.1	Confident	90.9	Very high	218 Å²	218	114.1 Å²	114.1	100%	1.166	54%	0.538	S	S	*	.			trans	-66	0	173.3	58.2	-38.3	0	0	0	112.3

Retrieved 566 of 566 residues in 1039.2 ms (Link to these results)

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