A0A096NDT4_PAPAN Loading...

Semaphorin 3E

AlphaFold DB (A0A2I3MTT5), UniProt , Accession A0A096NDT4, Species PAPAN (Papio anubis, Olive baboon), Gene SEMA3E, Length 775 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	41.3	Very low	55.1	Low	244 Å²	244	110 Å²	110	100%	1.202	63%	0.627	S	S	*	*				0	88.4	0	-75.7	-178.9	-109.5	0	0	107.8	S3	M1-S3 PolarHBondContact O-N 3.47Å
2	A	38.2	Very low	55.1	Low	94 Å²	94	109 Å²	109	78%	0.777	62%	0.618	S	S	*	*			trans	-72.1	124.3	170.9	0	0	0	0	0	107.4	A4	A2-A4 PolarHBondContact O-N 3.31Å
3	S	46.6	Very low	54.7	Low	83 Å²	83	114.9 Å²	114.9	58%	0.58	62%	0.624	S	S	*	*			trans	-57	131.8	-174	169.6	0	0	0	0	111	M1 G5 Y6	M1-S3 PolarHBondContact O-N 3.47Å; S3-G5 PolarHBondContact O-N 3.45Å; S3-G5 PolarHBondContact OG-N 3.45Å; S3-Y6 PolarHBondContact O-N 2.93Å
4	A	51.6	Low	54.1	Low	68 Å²	68	109.3 Å²	109.3	56%	0.562	61%	0.606	S	S	*	*	H	α-helix	trans	-51.4	-21.9	174.9	0	0	0	0	0	113.2	A2 Y6 I7 I8	A2-A4 PolarHBondContact O-N 3.31Å; A4-Y6 VanDerWaalsContact C-N 3.34Å; A4-Y6 PolarHBondContact O-N 2.94Å; A4-I7 PolarHBondContact O-N 3.28Å; A4-I8 WeakPolarHBondContact O-CD1 3.47Å; A4-I8 WeakPolarHBondContact O-CG1 3.33Å; A4-I8 PolarHBondContact O-N 3.48Å
5	G	53.5	Low	53.3	Low	36 Å²	36	112.7 Å²	112.7	37%	0.371	61%	0.608	S	S	.	*	H	α-helix	trans	-62	-35	173.5	0	0	0	0	0	114.1	S3 I8 T9	S3-G5 PolarHBondContact O-N 3.45Å; S3-G5 PolarHBondContact OG-N 3.45Å; G5-I8 PolarHBondContact O-N 3Å; G5-T9 WeakPolarHBondContact O-CG2 3.43Å; G5-T9 PolarHBondContact O-N 3.46Å; G5-T9 PolarHBondContact O-OG1 3.45Å
6	Y	54	Low	52.5	Low	173 Å²	173	111.5 Å²	111.5	68%	0.678	60%	0.6	S	S	*	*	H	α-helix	trans	-71.3	-34.1	-178.3	-113.5	-88.6	0	0	0	112.7	S3 A4 T9 L10	S3-Y6 PolarHBondContact O-N 2.93Å; A4-Y6 VanDerWaalsContact C-N 3.34Å; A4-Y6 PolarHBondContact O-N 2.94Å; Y6-T9 WeakPolarHBondContact CA-OG1 3.34Å; Y6-T9 PolarHBondContact O-OG1 3.39Å; Y6-L10 WeakPolarHBondContact O-CB 3.44Å; Y6-L10 WeakPolarHBondContact O-CD1 3.32Å; Y6-L10 WeakPolarHBondContact O-CG 3.41Å; Y6-L10 PolarHBondContact O-N 3.08Å; Y6-L10 VanDerWaalsContact O-N 3.08Å
7	I	64.7	Low	51.5	Low	103 Å²	103	111 Å²	111	53%	0.528	60%	0.597	S	S	.	*	H	α-helix	trans	-73	-38.8	178.1	-61.4	175.2	0	0	0	109.9	A4 L10 L11	A4-I7 PolarHBondContact O-N 3.28Å; I7-L10 PolarHBondContact O-N 2.93Å; I7-L11 HydrophobicContact CG2-CD1 3.93Å; I7-L11 WeakPolarHBondContact O-CB 3.49Å; I7-L11 WeakPolarHBondContact O-CG 3.49Å; I7-L11 PolarHBondContact O-N 2.92Å
8	I	67.5	Low	50.4	Low	100 Å²	100	112.4 Å²	112.4	51%	0.513	60%	0.599	S	S	.	*	H	α-helix	trans	-67.5	-39.3	177	-65	166.7	0	0	0	110.9	A4 G5 L11 L12	A4-I8 WeakPolarHBondContact O-CD1 3.47Å; A4-I8 WeakPolarHBondContact O-CG1 3.33Å; A4-I8 PolarHBondContact O-N 3.48Å; G5-I8 PolarHBondContact O-N 3Å; I8-L11 PolarHBondContact O-N 3.03Å; I8-L12 HydrophobicContact CG2-CD1 3.84Å; I8-L12 WeakPolarHBondContact O-CB 3.47Å; I8-L12 WeakPolarHBondContact O-CG 3.35Å; I8-L12 PolarHBondContact O-N 2.9Å
9	T	65.1	Low	49.5	Very low	75 Å²	75	113.2 Å²	113.2	46%	0.46	60%	0.602	S	S	.	*	H	α-helix	trans	-68.5	-35.6	175.3	46.1	0	0	0	0	113.1	G5 Y6 W13	G5-T9 WeakPolarHBondContact O-CG2 3.43Å; G5-T9 PolarHBondContact O-N 3.46Å; G5-T9 PolarHBondContact O-OG1 3.45Å; Y6-T9 WeakPolarHBondContact CA-OG1 3.34Å; Y6-T9 PolarHBondContact O-OG1 3.39Å; T9-W13 WeakPolarHBondContact O-CB 3.42Å; T9-W13 PolarHBondContact O-N 2.82Å
10	L	62.1	Low	48.5	Very low	116 Å²	116	118.8 Å²	118.8	61%	0.607	62%	0.615	S	S	*	*	H	α-helix	trans	-71.2	-36.2	175.2	-81.8	161.9	0	0	0	112.3	Y6 I7 G14	Y6-L10 WeakPolarHBondContact O-CB 3.44Å; Y6-L10 WeakPolarHBondContact O-CD1 3.32Å; Y6-L10 WeakPolarHBondContact O-CG 3.41Å; Y6-L10 PolarHBondContact O-N 3.08Å; Y6-L10 VanDerWaalsContact O-N 3.08Å; I7-L10 PolarHBondContact O-N 2.93Å; L10-G14 PolarHBondContact O-N 2.9Å
11	L	61.3	Low	47.4	Very low	118 Å²	118	118 Å²	118	62%	0.618	62%	0.616	S	S	*	*	H	α-helix	trans	-69.8	-39.5	173.7	-75	167.2	0	0	0	111.7	I7 I8 G14 Y15	I7-L11 HydrophobicContact CG2-CD1 3.93Å; I7-L11 WeakPolarHBondContact O-CB 3.49Å; I7-L11 WeakPolarHBondContact O-CG 3.49Å; I7-L11 PolarHBondContact O-N 2.92Å; I8-L11 PolarHBondContact O-N 3.03Å; L11-G14 PolarHBondContact O-N 2.87Å; L11-Y15 WeakPolarHBondContact O-CB 3.37Å; L11-Y15 PolarHBondContact O-N 3.35Å
12	L	55.8	Low	46.8	Very low	98 Å²	98	108.7 Å²	108.7	51%	0.513	58%	0.582	S	S	.	*	H	α-helix	trans	-66.8	-39.4	174.1	-84.3	160.2	0	0	0	112	I8 Y15 L16	I8-L12 HydrophobicContact CG2-CD1 3.84Å; I8-L12 WeakPolarHBondContact O-CB 3.47Å; I8-L12 WeakPolarHBondContact O-CG 3.35Å; I8-L12 PolarHBondContact O-N 2.9Å; L12-Y15 PolarHBondContact O-N 3.06Å; L12-L16 VanDerWaalsContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 WeakPolarHBondContact O-CD1 3.37Å; L12-L16 PolarHBondContact O-N 2.88Å
13	W	49.2	Very low	46.1	Very low	186 Å²	186	107 Å²	107	71%	0.705	57%	0.573	S	S	*	*	H	α-helix	trans	-70.3	-33.2	172.2	-91.1	20.8	0	0	0	112.9	T9 L17	T9-W13 WeakPolarHBondContact O-CB 3.42Å; T9-W13 PolarHBondContact O-N 2.82Å; W13-L17 WeakPolarHBondContact O-CB 3.46Å; W13-L17 WeakPolarHBondContact O-CD1 3.41Å; W13-L17 PolarHBondContact O-N 3.47Å
14	G	46.9	Very low	45.2	Very low	36 Å²	36	111.7 Å²	111.7	37%	0.371	59%	0.586	S	S	.	*	H	α-helix	trans	-64.6	-42.5	171.1	0	0	0	0	0	112.3	L10 L11 L17 E18	L10-G14 PolarHBondContact O-N 2.9Å; L11-G14 PolarHBondContact O-N 2.87Å; G14-L17 PolarHBondContact O-N 2.88Å; G14-E18 PolarHBondContact O-N 3.5Å
15	Y	41.9	Very low	44.1	Very low	160 Å²	160	114.5 Å²	114.5	63%	0.627	60%	0.596	S	S	*	*	H	α-helix	trans	-69.2	-38.1	175.8	-132.7	-97	0	0	0	112.2	L11 L12 E18 L19	L11-Y15 WeakPolarHBondContact O-CB 3.37Å; L11-Y15 PolarHBondContact O-N 3.35Å; L12-Y15 PolarHBondContact O-N 3.06Å; Y15-E18 PolarHBondContact O-N 3.38Å; Y15-L19 HydrophobicContact CD1-CD1 4.17Å; Y15-L19 WeakPolarHBondContact O-CB 3.32Å; Y15-L19 WeakPolarHBondContact O-CD1 3.3Å; Y15-L19 PolarHBondContact O-N 2.8Å
16	L	40.3	Very low	43.1	Very low	94 Å²	94	116.7 Å²	116.7	49%	0.492	61%	0.611	S	S	.	*	H	α-helix	trans	-70.4	-32.9	173.4	-99.4	132.7	0	0	0	112.5	L12 L19 W20	L12-L16 VanDerWaalsContact O-CB 3.32Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 WeakPolarHBondContact O-CD1 3.37Å; L12-L16 PolarHBondContact O-N 2.88Å; L16-L19 PolarHBondContact O-N 3Å; L16-W20 WeakPolarHBondContact O-CB 3.33Å; L16-W20 PolarHBondContact O-N 3.46Å
17	L	35.2	Very low	42.6	Very low	103 Å²	103	115.5 Å²	115.5	54%	0.539	62%	0.616	S	S	.	*	H	α-helix	trans	-70.3	-40.6	170.7	-105.7	97.8	0	0	0	111.3	W13 G14 L19 W20 T21	W13-L17 WeakPolarHBondContact O-CB 3.46Å; W13-L17 WeakPolarHBondContact O-CD1 3.41Å; W13-L17 PolarHBondContact O-N 3.47Å; G14-L17 PolarHBondContact O-N 2.88Å; L17-L19 VanDerWaalsContact C-N 3.27Å; L17-L19 PolarHBondContact O-N 3.47Å; L17-W20 CarbonylContact O-C 3.57Å; L17-W20 PolarHBondContact O-N 2.9Å; L17-T21 WeakPolarHBondContact O-CB 3.48Å; L17-T21 WeakPolarHBondContact O-CG2 3.31Å; L17-T21 PolarHBondContact O-N 2.78Å; L17-T21 PolarHBondContact O-OG1 3.04Å
18	E	31.4	Very low	42.1	Very low	136 Å²	136	114.9 Å²	114.9	64%	0.636	62%	0.617	S	S	*	*	H	α-helix	trans	-63.2	-33	173.2	-81.3	-175.9	161.3	0	0	112.3	G14 Y15 W20 G22	G14-E18 PolarHBondContact O-N 3.5Å; Y15-E18 PolarHBondContact O-N 3.38Å; E18-W20 VanDerWaalsContact C-N 3.34Å; E18-G22 PolarHBondContact O-N 2.92Å
19	L	34.1	Very low	42.4	Very low	127 Å²	127	113.1 Å²	113.1	67%	0.665	61%	0.612	S	S	*	*	H	α-helix	trans	-73.3	-20	171.7	-84.6	153.5	0	0	0	113.9	Y15 L16 L17	Y15-L19 HydrophobicContact CD1-CD1 4.17Å; Y15-L19 WeakPolarHBondContact O-CB 3.32Å; Y15-L19 WeakPolarHBondContact O-CD1 3.3Å; Y15-L19 PolarHBondContact O-N 2.8Å; L16-L19 PolarHBondContact O-N 3Å; L17-L19 VanDerWaalsContact C-N 3.27Å; L17-L19 PolarHBondContact O-N 3.47Å
20	W	29.3	Very low	43.4	Very low	226 Å²	226	113.2 Å²	113.2	86%	0.856	61%	0.607	S	S	*	*	H	α-helix	trans	-100.7	-26	177.9	-93.7	40.9	0	0	0	113.7	L16 L17 E18	L16-W20 WeakPolarHBondContact O-CB 3.33Å; L16-W20 PolarHBondContact O-N 3.46Å; L17-W20 CarbonylContact O-C 3.57Å; L17-W20 PolarHBondContact O-N 2.9Å; E18-W20 VanDerWaalsContact C-N 3.34Å
21	T	26	Very low	44.8	Very low	102 Å²	102	107.7 Å²	107.7	63%	0.626	58%	0.578	S	S	*	*	S	Bend	trans	-99.6	6.9	173.7	66.9	0	0	0	0	112.5	L17 G23	L17-T21 WeakPolarHBondContact O-CB 3.48Å; L17-T21 WeakPolarHBondContact O-CG2 3.31Å; L17-T21 PolarHBondContact O-N 2.78Å; L17-T21 PolarHBondContact O-OG1 3.04Å; T21-G23 PolarHBondContact O-N 3.41Å
22	G	27.3	Very low	46.2	Very low	48 Å²	48	102.8 Å²	102.8	50%	0.495	55%	0.551	S	S	.	*			trans	-61.6	61.2	148	0	0	0	0	0	109.3	E18 H24	E18-G22 PolarHBondContact O-N 2.92Å; G22-H24 VanDerWaalsContact C-N 3.3Å; G22-H24 PolarHBondContact O-N 3.21Å
23	G	24.7	Very low	48	Very low	58 Å²	58	99.5 Å²	99.5	60%	0.598	53%	0.534	S	S	*	.			trans	-52.1	111.9	152.5	0	0	0	0	0	103.7	T21 T25	T21-G23 PolarHBondContact O-N 3.41Å; G23-T25 PolarHBondContact O-N 2.81Å
24	H	28.1	Very low	50.1	Low	183 Å²	183	95.8 Å²	95.8	85%	0.847	52%	0.519	S	S	*	.			trans	-48.4	100.1	153	-71.9	-73.3	0	0	0	103.9	G22 A26	G22-H24 VanDerWaalsContact C-N 3.3Å; G22-H24 PolarHBondContact O-N 3.21Å; H24-A26 PolarHBondContact O-N 2.89Å
25	T	27.5	Very low	52.4	Low	127 Å²	127	94.3 Å²	94.3	78%	0.779	50%	0.503	S	S	*	.			trans	-49.9	101.7	149.3	45.9	0	0	0	0	101.5	G23 D27	G23-T25 PolarHBondContact O-N 2.81Å; T25-D27 PolarHBondContact O-N 3.09Å
26	A	32.6	Very low	54.9	Low	82 Å²	82	89 Å²	89	68%	0.678	49%	0.489	S	S	*	.			trans	-53.5	105.1	178	0	0	0	0	0	103.4	H24 T28	H24-A26 PolarHBondContact O-N 2.89Å; A26-T28 VanDerWaalsContact C-N 3.28Å; A26-T28 PolarHBondContact O-N 2.88Å
27	D	44.5	Very low	57.5	Low	147 Å²	147	86 Å²	86	79%	0.786	47%	0.473	S	S	*	.			trans	-62.4	102.8	-173.3	-154.3	8.7	0	0	0	103.2	T25 T29	T25-D27 PolarHBondContact O-N 3.09Å; D27-T29 PolarHBondContact O-N 2.91Å
28	T	53.4	Low	60.4	Low	90 Å²	90	88.3 Å²	88.3	55%	0.552	48%	0.478	S	S	*	.			trans	-64.4	106.9	-168.4	39.5	0	0	0	0	105.9	A26 H30	A26-T28 VanDerWaalsContact C-N 3.28Å; A26-T28 PolarHBondContact O-N 2.88Å; T28-H30 PolarHBondContact O-CD2 3.34Å; T28-H30 PolarHBondContact O-N 3.08Å; T28-H30 PolarHBondContact O-NE2 3.3Å; T28-H30 PolarHBondContact OG1-NE2 3.39Å
29	T	74.1	Confident	63.4	Low	64 Å²	64	86.1 Å²	86.1	39%	0.393	47%	0.468	S	S	.	.			trans	-62.1	105	-176.5	52.9	0	0	0	0	108.1	D27 I478	D27-T29 PolarHBondContact O-N 2.91Å; T29-I478 WeakPolarHBondContact O-CD1 3.26Å
30	H	85.4	Confident	66.3	Low	77 Å²	77	80 Å²	80	36%	0.356	44%	0.436	S	S	.	.			trans	-80.3	144.5	176.5	-68.1	-69.8	0	0	0	109.6	T28 L607 Q608	T28-H30 PolarHBondContact O-CD2 3.34Å; T28-H30 PolarHBondContact O-N 3.08Å; T28-H30 PolarHBondContact O-NE2 3.3Å; T28-H30 PolarHBondContact OG1-NE2 3.39Å; H30-L607 HydrophobicContact CB-CB 4.01Å; H30-Q608 HydrophobicContact CB-CG 4.47Å; H30-Q608 VanDerWaalsContact O-CG 3.24Å; H30-Q608 WeakPolarHBondContact O-CG 3.36Å; H30-Q608 PolarHBondContact O-NE2 2.73Å
31	P	92	Very high	69.4	Low	0 Å²	0	72.6 Å²	72.6	0%	0	41%	0.413	C	S	.	.			trans	-62	138	169.4	27.9	-34.2	0	0	0	109.6	L33 R34 I478 E481 L607	P31-L33 VanDerWaalsContact C-N 3.31Å; P31-L33 PolarHBondContact O-N 2.66Å; P31-R34 HydrophobicContact CG-CB 4.39Å; P31-I478 WeakPolarHBondContact CA-O 3.26Å; P31-I478 HydrophobicContact CB-CB 4.46Å; P31-I478 HydrophobicContact CB-CG2 3.68Å; P31-E481 HydrophobicContact CB-CB 3.76Å; P31-E481 HydrophobicContact CG-CB 3.78Å; P31-L607 HydrophobicContact CG-CD1 4.35Å; P31-L607 WeakPolarHBondContact O-CB 3.25Å
32	R	91.4	Very high	72.6	Confident	15 Å²	15	73.2 Å²	73.2	6%	0.057	41%	0.413	C	S	.	.	S	Bend	trans	-59.2	-45.1	176.5	176.1	107.8	178.5	113.9	1	110.9	I478 L479 Y522 D528 L531 S606 E658	R32-I478 PolarHBondContact N-O 2.87Å; R32-L479 WeakPolarHBondContact CB-O 3.41Å; R32-L479 PolarHBondContact N-O 2.88Å; R32-Y522 HydrophobicContact CG-CD1 4.48Å; R32-Y522 HydrophobicContact CG-CE1 4.2Å; R32-D528 PolarHBondContact NH2-O 2.7Å; R32-D528 VanDerWaalsContact NH2-O 3.1Å; R32-L531 PolarHBondContact NE-O 2.99Å; R32-S606 PolarHBondContact NH1-OG 3.34Å; R32-S606 PolarHBondContact O-OG 2.9Å; R32-E658 IonicContact CZ-OE1 3.49Å; R32-E658 IonicContact CZ-OE2 3.3Å; R32-E658 IonicContact NE-OE1 2.74Å; R32-E658 IonicContact NH1-OE1 3.74Å; R32-E658 PolarHBondContact NH1-OE1 3.4Å; R32-E658 IonicContact NH1-OE2 2.71Å; R32-E658 PolarHBondContact NH1-OE2 3.42Å; R32-E658 IonicContact NH2-OE2 3.03Å
33	L	91.9	Very high	75.7	Confident	28 Å²	28	74 Å²	74	15%	0.147	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.1	175.1	-177	67.2	0	0	0	110.8	P31 L35 L479 E480 E481 H518 M521 Y522	P31-L33 VanDerWaalsContact C-N 3.31Å; P31-L33 PolarHBondContact O-N 2.66Å; L33-L35 HydrophobicContact CD1-CD2 4.08Å; L33-L35 HydrophobicContact CD2-CD1 4.03Å; L33-L35 HydrophobicContact CD2-CD2 4.3Å; L33-L35 HydrophobicContact CD2-CG 4.07Å; L33-L35 HydrophobicContact CG-CD2 4.17Å; L33-L35 HydrophobicContact CG-CG 4.06Å; L33-L479 PolarHBondContact N-O 2.88Å; L33-E480 HydrophobicContact CB-CG 4.32Å; L33-E480 HydrophobicContact CD2-CG 4.42Å; L33-E480 CarbonylContact O-C 3.54Å; L33-E480 VanDerWaalsContact O-CA 3.28Å; L33-E480 WeakPolarHBondContact O-CA 3.2Å; L33-E481 PolarHBondContact O-N 2.99Å; L33-H518 HydrophobicContact CD2-CB 4.33Å; L33-M521 HydrophobicContact CD2-CB 3.93Å; L33-Y522 HydrophobicContact CB-CE1 4.27Å
34	R	94.1	Very high	78.9	Confident	108 Å²	108	77.3 Å²	77.3	41%	0.408	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.3	172.3	175.7	179	-77.9	166.4	-9.4	109.1	P31 E481 L607	P31-R34 HydrophobicContact CG-CB 4.39Å; R34-E481 WeakPolarHBondContact CA-O 3.43Å; R34-E481 HydrophobicContact CG-CB 4.49Å; R34-E481 IonicContact CZ-OE1 3.72Å; R34-E481 VanDerWaalsContact CZ-OE1 3.27Å; R34-E481 IonicContact CZ-OE2 3.54Å; R34-E481 VanDerWaalsContact NE-CD 3.35Å; R34-E481 IonicContact NE-OE1 3.14Å; R34-E481 PolarHBondContact NE-OE1 2.72Å; R34-E481 IonicContact NE-OE2 3.29Å; R34-E481 IonicContact NH2-OE1 2.99Å; R34-E481 PolarHBondContact NH2-OE1 3.05Å; R34-E481 VanDerWaalsContact NH2-OE1 3.15Å; R34-E481 IonicContact NH2-OE2 2.71Å; R34-E481 PolarHBondContact NH2-OE2 3.36Å; R34-L607 HydrophobicContact CB-CD1 3.91Å
35	L	94.4	Very high	81.8	Confident	6 Å²	6	70.2 Å²	70.2	3%	0.031	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	124	178.8	-61.1	179.4	0	0	0	110.5	L33 L40 E481 L482 Q483 M521	L33-L35 HydrophobicContact CD1-CD2 4.08Å; L33-L35 HydrophobicContact CD2-CD1 4.03Å; L33-L35 HydrophobicContact CD2-CD2 4.3Å; L33-L35 HydrophobicContact CD2-CG 4.07Å; L33-L35 HydrophobicContact CG-CD2 4.17Å; L33-L35 HydrophobicContact CG-CG 4.06Å; L35-L40 HydrophobicContact CB-CD2 3.97Å; L35-L40 HydrophobicContact CB-CG 3.97Å; L35-L40 HydrophobicContact CD1-CD2 3.68Å; L35-L40 HydrophobicContact CG-CD2 4.49Å; L35-E481 PolarHBondContact N-O 3.39Å; L35-L482 HydrophobicContact CB-CD2 3.95Å; L35-L482 HydrophobicContact CD1-CD2 3.91Å; L35-L482 HydrophobicContact CG-CD2 4.11Å; L35-Q483 PolarHBondContact O-N 2.84Å; L35-M521 HydrophobicContact CD2-CE 4.44Å
36	S	95.8	Very high	85	Confident	48 Å²	48	64.8 Å²	64.8	34%	0.336	34%	0.341	S	S	.	.			trans	-71.6	158.8	170	67.6	0	0	0	0	111.3	K38 E39 L40	S36-K38 PolarHBondContact O-N 3.14Å; S36-E39 VanDerWaalsContact CB-OE2 3.29Å; S36-E39 WeakPolarHBondContact CB-OE2 3.23Å; S36-E39 PolarHBondContact N-OE2 3.34Å; S36-E39 PolarHBondContact O-N 3Å; S36-E39 VanDerWaalsContact OG-CD 3.29Å; S36-E39 WeakPolarHBondContact OG-CG 3.5Å; S36-E39 PolarHBondContact OG-N 3.35Å; S36-E39 PolarHBondContact OG-OE2 3.25Å; S36-L40 PolarHBondContact O-N 3.04Å
37	H	95.1	Very high	88	Confident	31 Å²	31	61.7 Å²	61.7	14%	0.144	32%	0.315	C	S	.	.	H	α-helix	trans	-53	-40.4	175.1	176.6	71.4	0	0	0	112.6	L40 L41 Q483 I484	H37-L40 PolarHBondContact O-N 2.9Å; H37-L41 VanDerWaalsContact NE2-CD1 3.27Å; H37-L41 WeakPolarHBondContact NE2-CD1 3.43Å; H37-L41 PolarHBondContact O-N 3.14Å; H37-L41 VanDerWaalsContact O-N 3.11Å; H37-Q483 WeakPolarHBondContact CA-O 3.06Å; H37-Q483 HydrophobicContact CB-CG 4.27Å; H37-Q483 WeakPolarHBondContact CB-O 3.48Å; H37-Q483 PolarHBondContact N-O 3.28Å; H37-I484 PolarHBondContact CE1-O 2.86Å; H37-I484 PolarHBondContact ND1-O 3.17Å
38	K	95.8	Very high	90.4	Very high	151 Å²	151	55.8 Å²	55.8	66%	0.657	28%	0.284	S	S	*	.	H	α-helix	trans	-64.4	-41.5	178.6	-173.5	-178.5	178.7	-176.2	0	111.8	S36 N42	S36-K38 PolarHBondContact O-N 3.14Å; K38-N42 WeakPolarHBondContact O-CB 3.45Å; K38-N42 PolarHBondContact O-N 3.35Å; K38-N42 PolarHBondContact O-ND2 2.85Å
39	E	94.8	Very high	92.4	Very high	90 Å²	90	51.8 Å²	51.8	42%	0.421	26%	0.259	S	S	.	.	H	α-helix	trans	-67.4	-43.6	177.6	-71.9	161.6	138.1	0	0	111.3	S36 L41 N42 L43	S36-E39 VanDerWaalsContact CB-OE2 3.29Å; S36-E39 WeakPolarHBondContact CB-OE2 3.23Å; S36-E39 PolarHBondContact N-OE2 3.34Å; S36-E39 PolarHBondContact O-N 3Å; S36-E39 VanDerWaalsContact OG-CD 3.29Å; S36-E39 WeakPolarHBondContact OG-CG 3.5Å; S36-E39 PolarHBondContact OG-N 3.35Å; S36-E39 PolarHBondContact OG-OE2 3.25Å; E39-L41 VanDerWaalsContact C-N 3.3Å; E39-L41 PolarHBondContact O-N 3.42Å; E39-N42 PolarHBondContact O-N 3.43Å; E39-L43 VanDerWaalsContact O-CB 3.29Å; E39-L43 WeakPolarHBondContact O-CB 3.4Å; E39-L43 VanDerWaalsContact O-CG 3.23Å; E39-L43 WeakPolarHBondContact O-CG 3.36Å; E39-L43 PolarHBondContact O-N 3.46Å
40	L	94.9	Very high	93.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.4	-42.7	176.8	-72.1	171.5	0	0	0	112.4	L35 S36 H37 N44 R45 T46 L482 Q483 I484	L35-L40 HydrophobicContact CB-CD2 3.97Å; L35-L40 HydrophobicContact CB-CG 3.97Å; L35-L40 HydrophobicContact CD1-CD2 3.68Å; L35-L40 HydrophobicContact CG-CD2 4.49Å; S36-L40 PolarHBondContact O-N 3.04Å; H37-L40 PolarHBondContact O-N 2.9Å; L40-N44 PolarHBondContact O-N 2.93Å; L40-R45 HydrophobicContact CD2-CB 3.99Å; L40-R45 PolarHBondContact O-N 3.04Å; L40-T46 HydrophobicContact CB-CG2 3.58Å; L40-T46 PolarHBondContact O-N 3.17Å; L40-L482 HydrophobicContact CD1-CB 4.24Å; L40-L482 HydrophobicContact CD2-CD2 4.33Å; L40-Q483 WeakPolarHBondContact CD1-O 3.34Å; L40-I484 HydrophobicContact CD1-CD1 4.18Å
41	L	93	Very high	93.6	Very high	69 Å²	69	51.1 Å²	51.1	36%	0.361	25%	0.252	S	S	.	.	H	α-helix	trans	-67.9	-49.7	176	-74.5	175.3	0	0	0	111.9	H37 E39 L43 N44 T46	H37-L41 VanDerWaalsContact NE2-CD1 3.27Å; H37-L41 WeakPolarHBondContact NE2-CD1 3.43Å; H37-L41 PolarHBondContact O-N 3.14Å; H37-L41 VanDerWaalsContact O-N 3.11Å; E39-L41 VanDerWaalsContact C-N 3.3Å; E39-L41 PolarHBondContact O-N 3.42Å; L41-L43 PolarHBondContact O-N 3.39Å; L41-N44 PolarHBondContact O-N 2.71Å; L41-T46 HydrophobicContact CD2-CG2 3.7Å; L41-T46 HydrophobicContact CG-CG2 3.97Å
42	N	93.9	Very high	93.4	Very high	116 Å²	116	54.5 Å²	54.5	62%	0.62	27%	0.274	S	S	*	.	H	α-helix	trans	-59.7	-32.8	-178.9	-73	-13.2	0	0	0	112.5	K38 E39 N44	K38-N42 WeakPolarHBondContact O-CB 3.45Å; K38-N42 PolarHBondContact O-N 3.35Å; K38-N42 PolarHBondContact O-ND2 2.85Å; E39-N42 PolarHBondContact O-N 3.43Å; N42-N44 VanDerWaalsContact C-N 3.33Å
43	L	91.7	Very high	92.9	Very high	63 Å²	63	59.3 Å²	59.3	33%	0.33	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	4.1	179.2	-64	170.9	0	0	0	113.4	E39 L41 R45 M521	E39-L43 VanDerWaalsContact O-CB 3.29Å; E39-L43 WeakPolarHBondContact O-CB 3.4Å; E39-L43 VanDerWaalsContact O-CG 3.23Å; E39-L43 WeakPolarHBondContact O-CG 3.36Å; E39-L43 PolarHBondContact O-N 3.46Å; L41-L43 PolarHBondContact O-N 3.39Å; L43-R45 HydrophobicContact CB-CG 3.68Å; L43-R45 WeakPolarHBondContact O-CG 3.47Å; L43-R45 PolarHBondContact O-N 3.03Å; L43-R45 PolarHBondContact O-NE 2.8Å; L43-M521 HydrophobicContact CD1-CE 3.71Å; L43-M521 HydrophobicContact CD1-SD 3.83Å; L43-M521 HydrophobicContact CD2-SD 4.44Å
44	N	91.9	Very high	92.1	Very high	128 Å²	128	61 Å²	61	68%	0.684	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	40.9	-174.8	-67.1	-41.3	0	0	0	113.2	L40 L41 N42	L40-N44 PolarHBondContact O-N 2.93Å; L41-N44 PolarHBondContact O-N 2.71Å; N42-N44 VanDerWaalsContact C-N 3.33Å
45	R	90.8	Very high	91.4	Very high	35 Å²	35	61.8 Å²	61.8	13%	0.132	33%	0.326	C	S	.	.			trans	-100.8	-16.3	-179.1	-61	-51.1	169.9	137.7	0.5	114	L40 L43 H518 D520	L40-R45 HydrophobicContact CD2-CB 3.99Å; L40-R45 PolarHBondContact O-N 3.04Å; L43-R45 HydrophobicContact CB-CG 3.68Å; L43-R45 WeakPolarHBondContact O-CG 3.47Å; L43-R45 PolarHBondContact O-N 3.03Å; L43-R45 PolarHBondContact O-NE 2.8Å; R45-H518 WeakPolarHBondContact CB-NE2 3.09Å; R45-H518 VanDerWaalsContact CG-CD2 3.46Å; R45-H518 WeakPolarHBondContact CG-CD2 3.45Å; R45-D520 IonicContact CZ-OD1 3.66Å; R45-D520 IonicContact CZ-OD2 3.38Å; R45-D520 IonicContact NH1-OD1 3.85Å; R45-D520 PolarHBondContact NH1-OD1 3.39Å; R45-D520 IonicContact NH1-OD2 2.73Å; R45-D520 VanDerWaalsContact NH2-CG 3.28Å; R45-D520 IonicContact NH2-OD1 2.78Å; R45-D520 PolarHBondContact NH2-OD1 3.12Å; R45-D520 VanDerWaalsContact NH2-OD1 3.09Å; R45-D520 IonicContact NH2-OD2 3.49Å; R45-D520 PolarHBondContact NH2-OD2 2.79Å
46	T	94	Very high	91.1	Very high	13 Å²	13	61.6 Å²	61.6	8%	0.08	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148	170.6	-168.5	0	0	0	0	110.5	L40 L41 Q513	L40-T46 HydrophobicContact CB-CG2 3.58Å; L40-T46 PolarHBondContact O-N 3.17Å; L41-T46 HydrophobicContact CD2-CG2 3.7Å; L41-T46 HydrophobicContact CG-CG2 3.97Å; T46-Q513 CarbonylContact C-O 3.55Å; T46-Q513 VanDerWaalsContact CA-O 3.24Å; T46-Q513 WeakPolarHBondContact CA-O 3.13Å; T46-Q513 PolarHBondContact OG1-O 3.05Å
47	S	95	Very high	90.9	Very high	16 Å²	16	60.8 Å²	60.8	11%	0.112	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.4	163	173.4	0	0	0	0	107.1	I86 S87 A512 Q513	S47-I86 WeakPolarHBondContact O-CD1 3.45Å; S47-S87 WeakPolarHBondContact OG-CB 3.37Å; S47-S87 PolarHBondContact OG-OG 3.18Å; S47-A512 CarbonylContact O-C 3.23Å; S47-A512 VanDerWaalsContact O-CA 3.32Å; S47-A512 WeakPolarHBondContact O-CA 3.44Å; S47-Q513 PolarHBondContact N-O 3.4Å; S47-Q513 PolarHBondContact O-N 2.95Å
48	V	95.1	Very high	90.9	Very high	23 Å²	23	59.4 Å²	59.4	14%	0.139	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.4	-178.5	-173.2	0	0	0	0	109.2	H50 F485 A510 V511 A512	V48-H50 WeakPolarHBondContact CG1-NE2 3.04Å; V48-F485 HydrophobicContact CG1-CE1 4.46Å; V48-A510 HydrophobicContact CG1-CB 3.92Å; V48-V511 CarbonylContact C-O 3.45Å; V48-V511 WeakPolarHBondContact CA-O 3.45Å; V48-A512 HydrophobicContact CG2-CB 4.12Å
49	F	95.8	Very high	90.9	Very high	7 Å²	7	54.8 Å²	54.8	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.2	171.1	175	-100.1	0	0	0	109.7	L56 Y79 L81 I86 Y90 A510 V511	F49-L56 HydrophobicContact CE1-CD1 4.49Å; F49-Y79 HydrophobicContact CE1-CD1 4.33Å; F49-Y79 HydrophobicContact CE1-CD2 4.19Å; F49-Y79 HydrophobicContact CE1-CE2 4.42Å; F49-Y79 HydrophobicContact CE1-CG 4.14Å; F49-Y79 AromaticContact CZ-CD1 3.85Å; F49-Y79 HydrophobicContact CZ-CD1 3.85Å; F49-Y79 HydrophobicContact CZ-CD2 4.49Å; F49-Y79 AromaticContact CZ-CE1 3.98Å; F49-Y79 HydrophobicContact CZ-CE1 3.98Å; F49-Y79 HydrophobicContact CZ-CG 4.11Å; F49-L81 HydrophobicContact CB-CD1 4.05Å; F49-L81 HydrophobicContact CD1-CD1 3.75Å; F49-L81 HydrophobicContact CD1-CD2 3.97Å; F49-L81 HydrophobicContact CD2-CD2 3.81Å; F49-L81 HydrophobicContact CE1-CD1 4.36Å; F49-L81 HydrophobicContact CE1-CD2 3.91Å; F49-L81 HydrophobicContact CE2-CD2 3.76Å; F49-L81 HydrophobicContact CG-CD1 3.84Å; F49-L81 HydrophobicContact CG-CD2 3.91Å; F49-L81 HydrophobicContact CZ-CD2 3.81Å; F49-I86 HydrophobicContact CB-CD1 4.05Å; F49-I86 HydrophobicContact CB-CG1 4.28Å; F49-Y90 AromaticContact CE2-CD1 3.72Å; F49-Y90 HydrophobicContact CE2-CD1 3.72Å; F49-Y90 HydrophobicContact CE2-CD2 4.43Å; F49-Y90 HydrophobicContact CE2-CE1 4.34Å; F49-Y90 AromaticContact CE2-CG 3.8Å; F49-Y90 HydrophobicContact CE2-CG 3.8Å; F49-Y90 HydrophobicContact CZ-CG 4.28Å; F49-A510 WeakPolarHBondContact O-CA 3.45Å; F49-V511 PolarHBondContact N-O 3.48Å; F49-V511 PolarHBondContact O-N 2.89Å
50	H	93.4	Very high	91	Very high	118 Å²	118	51.7 Å²	51.7	55%	0.546	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.5	170	-67.2	-81.3	0	0	0	109.1	V48	V48-H50 WeakPolarHBondContact CG1-NE2 3.04Å
51	S	90.8	Very high	91.1	Very high	9 Å²	9	52.1 Å²	52.1	6%	0.063	28%	0.281	C	S	.	.			trans	-63.2	133.9	173.4	176.3	0	0	0	0	110.3	F53 G54 Y79	S51-F53 PolarHBondContact O-N 3.34Å; S51-F53 PolarHBondContact OG-N 3.13Å; S51-G54 PolarHBondContact O-N 2.66Å; S51-Y79 PolarHBondContact OG-OH 2.83Å
52	P	87.8	Confident	91.3	Very high	71 Å²	71	50 Å²	50	46%	0.461	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.8	171.3	-17.3	25.5	0	0	0	113.5	G54 Y90	P52-G54 PolarHBondContact O-N 2.97Å; P52-Y90 HydrophobicContact CG-CE1 4.04Å; P52-Y90 HydrophobicContact CG-CE2 4.07Å; P52-Y90 VanDerWaalsContact CG-CZ 3.44Å; P52-Y90 WeakPolarHBondContact CG-OH 3.49Å
53	F	81.5	Confident	91.5	Very high	116 Å²	116	45.7 Å²	45.7	51%	0.509	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	4.4	178.1	-55.8	-74.8	0	0	0	112.8	S51 F55 L77 Y79 E92 H94	S51-F53 PolarHBondContact O-N 3.34Å; S51-F53 PolarHBondContact OG-N 3.13Å; F53-F55 PolarHBondContact O-N 2.73Å; F53-L77 HydrophobicContact CD2-CD1 3.68Å; F53-L77 HydrophobicContact CE2-CD1 4.14Å; F53-L77 HydrophobicContact CE2-CD2 4.3Å; F53-L77 HydrophobicContact CG-CD1 4.46Å; F53-Y79 WeakPolarHBondContact CD2-OH 3.27Å; F53-E92 WeakPolarHBondContact CE2-OE2 3.27Å; F53-H94 AromaticContact CE1-CE1 3.98Å; F53-H94 AromaticContact CE2-CE1 3.51Å; F53-H94 AromaticContact CE2-NE2 3.78Å; F53-H94 AromaticContact CZ-CE1 3.25Å; F53-H94 WeakPolarHBondContact CZ-CE1 3.47Å; F53-H94 AromaticContact CZ-NE2 3.53Å
54	G	75.5	Confident	91.7	Very high	62 Å²	62	43.2 Å²	43.2	64%	0.639	23%	0.233	S	C	*	.	S	Bend	trans	83.5	-23.4	175.9	0	0	0	0	0	115	S51 P52	S51-G54 PolarHBondContact O-N 2.66Å; P52-G54 PolarHBondContact O-N 2.97Å
55	F	79.4	Confident	91.7	Very high	126 Å²	126	40.4 Å²	40.4	55%	0.553	22%	0.216	S	C	*	.			trans	-132.8	121.5	178.3	-141.3	-93.9	0	0	0	110.9	F53 D57	F53-F55 PolarHBondContact O-N 2.73Å; F55-D57 HydrophobicContact CD1-CB 3.83Å; F55-D57 HydrophobicContact CE1-CB 4.04Å
56	L	87	Confident	91.7	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	23%	0.233	C	C	.	.			trans	-83.5	-37.8	178.5	-179.6	61.7	0	0	0	111.7	F49 L58 V72 G74 R75 Y79 V511	F49-L56 HydrophobicContact CE1-CD1 4.49Å; L56-L58 VanDerWaalsContact C-N 3.32Å; L56-L58 HydrophobicContact CD2-CB 3.98Å; L56-L58 HydrophobicContact CD2-CD1 4.29Å; L56-L58 HydrophobicContact CG-CB 4.1Å; L56-L58 PolarHBondContact O-N 2.84Å; L56-V72 HydrophobicContact CD1-CG1 4.17Å; L56-V72 HydrophobicContact CD2-CG1 4.31Å; L56-G74 WeakPolarHBondContact O-CA 3.18Å; L56-R75 PolarHBondContact O-N 2.78Å; L56-Y79 HydrophobicContact CD1-CD2 3.74Å; L56-Y79 HydrophobicContact CD1-CE2 3.58Å; L56-V511 HydrophobicContact CD2-CG2 3.76Å
57	D	92.6	Very high	91.5	Very high	30 Å²	30	44.8 Å²	44.8	16%	0.16	23%	0.233	C	C	.	.			trans	45.3	55.7	-171.3	-141	-17.6	0	0	0	112.4	F55 H59 G74 R75 Y118 A508	F55-D57 HydrophobicContact CD1-CB 3.83Å; F55-D57 HydrophobicContact CE1-CB 4.04Å; D57-H59 PolarHBondContact O-N 2.83Å; D57-G74 WeakPolarHBondContact O-CA 3.44Å; D57-R75 HydrophobicContact CB-CB 3.6Å; D57-R75 PolarHBondContact O-N 3.01Å; D57-Y118 HydrophobicContact CB-CE1 4.4Å; D57-Y118 VanDerWaalsContact OD2-CE1 3.27Å; D57-Y118 WeakPolarHBondContact OD2-CE1 3.3Å; D57-A508 VanDerWaalsContact CA-O 3.27Å; D57-A508 WeakPolarHBondContact CA-O 3.45Å; D57-A508 PolarHBondContact N-O 3.17Å
58	L	95.1	Very high	91.4	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	25%	0.245	C	C	.	.			trans	-61.5	134.2	-171.8	179	69	0	0	0	111.8	L56 M61 V72 I492 S507 A508 V511	L56-L58 VanDerWaalsContact C-N 3.32Å; L56-L58 HydrophobicContact CD2-CB 3.98Å; L56-L58 HydrophobicContact CD2-CD1 4.29Å; L56-L58 HydrophobicContact CG-CB 4.1Å; L56-L58 PolarHBondContact O-N 2.84Å; L58-M61 HydrophobicContact CD1-CG 3.93Å; L58-M61 HydrophobicContact CD2-CG 4.25Å; L58-M61 HydrophobicContact CD2-SD 3.86Å; L58-V72 HydrophobicContact CD1-CG1 3.24Å; L58-I492 HydrophobicContact CB-CD1 4.04Å; L58-I492 HydrophobicContact CD2-CD1 4.15Å; L58-I492 HydrophobicContact CD2-CG1 4.22Å; L58-I492 HydrophobicContact CG-CD1 4.13Å; L58-I492 WeakPolarHBondContact O-CD1 3.3Å; L58-S507 WeakPolarHBondContact CB-O 3.36Å; L58-S507 WeakPolarHBondContact CD2-O 3.46Å; L58-A508 PolarHBondContact N-O 2.66Å; L58-V511 HydrophobicContact CD2-CG2 4.31Å
59	H	95.2	Very high	91.4	Very high	55 Å²	55	48.9 Å²	48.9	26%	0.255	25%	0.247	S	C	.	.			trans	-130.7	-25.7	174.3	-75.9	-47.7	0	0	0	115.1	D57 G73 Y118 V119 R120	D57-H59 PolarHBondContact O-N 2.83Å; H59-G73 PolarHBondContact N-O 2.93Å; H59-Y118 AromaticContact CD2-CD1 3.43Å; H59-Y118 VanDerWaalsContact CD2-CD1 3.43Å; H59-Y118 WeakPolarHBondContact CD2-CD1 3.48Å; H59-Y118 AromaticContact NE2-CD1 3.07Å; H59-Y118 WeakPolarHBondContact NE2-CD1 3.38Å; H59-Y118 AromaticContact NE2-CE1 3.66Å; H59-Y118 AromaticContact NE2-CG 3.78Å; H59-V119 VanDerWaalsContact CB-O 3.3Å; H59-V119 WeakPolarHBondContact CB-O 3.44Å; H59-R120 PolarHBondContact ND1-NH1 2.89Å
60	T	96.3	Very high	91.4	Very high	24 Å²	24	48.5 Å²	48.5	15%	0.147	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	145.4	-179.7	-173.6	0	0	0	0	110.8	G73 V119 L122	T60-G73 PolarHBondContact N-O 3.2Å; T60-G73 PolarHBondContact O-N 3.31Å; T60-V119 HydrophobicContact CG2-CG1 4.09Å; T60-V119 WeakPolarHBondContact CG2-O 3.45Å; T60-L122 HydrophobicContact CG2-CB 4.33Å; T60-L122 HydrophobicContact CG2-CD1 3.77Å; T60-L122 HydrophobicContact CG2-CG 3.78Å
61	M	97.7	Very high	91.6	Very high	10 Å²	10	43 Å²	43	5%	0.049	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.6	172.8	-65.5	172.8	53.9	0	0	108.9	L58 L70 F71 E495 V511	L58-M61 HydrophobicContact CD1-CG 3.93Å; L58-M61 HydrophobicContact CD2-CG 4.25Å; L58-M61 HydrophobicContact CD2-SD 3.86Å; M61-L70 HydrophobicContact CB-CD1 4.46Å; M61-L70 HydrophobicContact CE-CD1 3.95Å; M61-L70 HydrophobicContact CE-CD2 3.89Å; M61-L70 HydrophobicContact CE-CG 4.35Å; M61-F71 CarbonylContact C-O 3.53Å; M61-F71 WeakPolarHBondContact CA-O 3.3Å; M61-E495 HydrophobicContact CB-CG 4.09Å; M61-E495 HydrophobicContact CE-CG 4.36Å; M61-V511 HydrophobicContact CE-CG1 3.94Å
62	L	97.8	Very high	92	Very high	23 Å²	23	42.6 Å²	42.6	12%	0.12	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	111.8	173	176.2	69.7	0	0	0	108.8	F71 L122 L130	L62-F71 HydrophobicContact CB-CB 4.3Å; L62-F71 HydrophobicContact CD2-CD2 4.34Å; L62-F71 PolarHBondContact N-O 2.89Å; L62-F71 PolarHBondContact O-N 3.14Å; L62-L122 HydrophobicContact CB-CB 4Å; L62-L122 HydrophobicContact CD2-CB 4.27Å; L62-L130 HydrophobicContact CD2-CD2 4.12Å
63	L	97.4	Very high	92.4	Very high	27 Å²	27	39.2 Å²	39.2	14%	0.141	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	118.6	176.1	176.2	63.8	0	0	0	110.6	E65 L70 L83 E495 I496 Y504	L63-E65 HydrophobicContact CD2-CG 4.48Å; L63-E65 HydrophobicContact CG-CG 4.35Å; L63-L70 HydrophobicContact CB-CD1 4.36Å; L63-L83 HydrophobicContact CD1-CD1 3.74Å; L63-L83 HydrophobicContact CD1-CD2 3.6Å; L63-L83 HydrophobicContact CD1-CG 4.36Å; L63-E495 HydrophobicContact CB-CB 4.2Å; L63-E495 HydrophobicContact CB-CG 4.43Å; L63-I496 WeakPolarHBondContact CD2-O 3.49Å; L63-Y504 HydrophobicContact CD1-CD2 3.88Å; L63-Y504 HydrophobicContact CD1-CE2 3.53Å; L63-Y504 HydrophobicContact CD2-CD2 4.4Å; L63-Y504 HydrophobicContact CD2-CE2 4.32Å
64	D	94.8	Very high	93.1	Very high	11 Å²	11	33.7 Å²	33.7	6%	0.059	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	94	175.9	-166.4	-26.5	0	0	0	110.9	Y66 Q67 E68 R69 F71 H124	D64-Y66 PolarHBondContact O-N 3.43Å; D64-Y66 WeakPolarHBondContact OD1-CA 3.43Å; D64-Y66 WeakPolarHBondContact OD1-CB 3.33Å; D64-Y66 PolarHBondContact OD1-N 3.02Å; D64-Q67 HydrophobicContact CB-CB 4.25Å; D64-Q67 PolarHBondContact OD1-N 3.42Å; D64-Q67 WeakPolarHBondContact OD2-CG 3.5Å; D64-E68 WeakPolarHBondContact O-CA 3.11Å; D64-E68 PolarHBondContact O-N 3.27Å; D64-R69 CarbonylContact C-O 3.54Å; D64-R69 WeakPolarHBondContact CA-O 3.48Å; D64-R69 WeakPolarHBondContact CB-O 3.33Å; D64-R69 PolarHBondContact N-O 2.86Å; D64-R69 PolarHBondContact O-N 3.08Å; D64-F71 HydrophobicContact CB-CD2 4.16Å; D64-F71 HydrophobicContact CB-CE2 3.7Å; D64-H124 IonicContact OD2-CE1 3.21Å; D64-H124 PolarHBondContact OD2-CE1 2.99Å; D64-H124 IonicContact OD2-ND1 2.85Å
65	E	93.3	Very high	94.1	Very high	69 Å²	69	35 Å²	35	32%	0.322	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-19.8	176.5	-62.5	-167.7	137.1	0	0	113.6	L63 S497	L63-E65 HydrophobicContact CD2-CG 4.48Å; L63-E65 HydrophobicContact CG-CG 4.35Å; E65-S497 WeakPolarHBondContact OE1-CB 3.31Å; E65-S497 PolarHBondContact OE1-OG 3.2Å
66	Y	91.1	Very high	94.8	Very high	122 Å²	122	30.4 Å²	30.4	48%	0.478	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-42.5	179.7	172.4	-104.1	0	0	0	111.2	D64 E68 H150	D64-Y66 PolarHBondContact O-N 3.43Å; D64-Y66 WeakPolarHBondContact OD1-CA 3.43Å; D64-Y66 WeakPolarHBondContact OD1-CB 3.33Å; D64-Y66 PolarHBondContact OD1-N 3.02Å; Y66-E68 VanDerWaalsContact C-N 3.28Å; Y66-H150 HydrophobicContact CE1-CB 4.1Å; Y66-H150 HydrophobicContact CE2-CB 4.43Å; Y66-H150 PolarHBondContact O-CD2 3.15Å
67	Q	89.7	Confident	95.2	Very high	17 Å²	17	31 Å²	31	8%	0.079	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-6.4	175	-64.1	-69.9	-12.8	0	0	112.8	D64 R69 R127 G148	D64-Q67 HydrophobicContact CB-CB 4.25Å; D64-Q67 PolarHBondContact OD1-N 3.42Å; D64-Q67 WeakPolarHBondContact OD2-CG 3.5Å; Q67-R69 HydrophobicContact CB-CB 4.38Å; Q67-R69 HydrophobicContact CB-CG 4.27Å; Q67-R69 WeakPolarHBondContact O-CG 3.29Å; Q67-R69 PolarHBondContact O-N 3.38Å; Q67-R127 PolarHBondContact NE2-O 3.24Å; Q67-G148 PolarHBondContact NE2-O 3.24Å
68	E	92.5	Very high	95.3	Very high	81 Å²	81	29.5 Å²	29.5	38%	0.379	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	38.4	-171.8	-49.9	-159.1	146.7	0	0	112.9	D64 Y66 L83 R500	D64-E68 WeakPolarHBondContact O-CA 3.11Å; D64-E68 PolarHBondContact O-N 3.27Å; Y66-E68 VanDerWaalsContact C-N 3.28Å; E68-L83 VanDerWaalsContact C-CG 3.42Å; E68-L83 WeakPolarHBondContact O-CG 3.36Å; E68-L83 PolarHBondContact O-N 2.96Å; E68-R500 VanDerWaalsContact CG-NH2 3.27Å; E68-R500 IonicContact OE1-NH2 3.98Å; E68-R500 PolarHBondContact OE1-NH2 2.89Å; E68-R500 IonicContact OE2-NH2 3.53Å; E68-R500 PolarHBondContact OE2-NH2 2.73Å
69	R	94.3	Very high	95.4	Very high	44 Å²	44	29.5 Å²	29.5	17%	0.166	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.4	-177.9	-64.7	-63.4	178.3	160.6	-7.1	112.7	D64 Q67 F71 S80 L81 G89	D64-R69 CarbonylContact C-O 3.54Å; D64-R69 WeakPolarHBondContact CA-O 3.48Å; D64-R69 WeakPolarHBondContact CB-O 3.33Å; D64-R69 PolarHBondContact N-O 2.86Å; D64-R69 PolarHBondContact O-N 3.08Å; Q67-R69 HydrophobicContact CB-CB 4.38Å; Q67-R69 HydrophobicContact CB-CG 4.27Å; Q67-R69 WeakPolarHBondContact O-CG 3.29Å; Q67-R69 PolarHBondContact O-N 3.38Å; R69-F71 HydrophobicContact CB-CE1 4.26Å; R69-F71 HydrophobicContact CB-CE2 4.05Å; R69-F71 HydrophobicContact CB-CZ 3.84Å; R69-F71 HydrophobicContact CG-CZ 4.4Å; R69-S80 WeakPolarHBondContact CD-OG 3.13Å; R69-L81 CarbonylContact C-O 3.46Å; R69-L81 VanDerWaalsContact CA-O 3.25Å; R69-L81 WeakPolarHBondContact CA-O 3.07Å; R69-L81 VanDerWaalsContact CD-O 3.26Å; R69-L81 WeakPolarHBondContact CD-O 3.42Å; R69-G89 PolarHBondContact NH1-O 2.88Å
70	L	97.3	Very high	95.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	116.4	164.2	179.9	65.3	0	0	0	107.8	M61 L63 V72 L81 L83 I86 Y504 V511	M61-L70 HydrophobicContact CB-CD1 4.46Å; M61-L70 HydrophobicContact CE-CD1 3.95Å; M61-L70 HydrophobicContact CE-CD2 3.89Å; M61-L70 HydrophobicContact CE-CG 4.35Å; L63-L70 HydrophobicContact CB-CD1 4.36Å; L70-V72 HydrophobicContact CD2-CG2 4.33Å; L70-V72 HydrophobicContact CG-CG2 3.99Å; L70-L81 HydrophobicContact CB-CB 4.31Å; L70-L81 HydrophobicContact CD2-CD1 4.4Å; L70-L81 PolarHBondContact N-O 3.39Å; L70-L81 PolarHBondContact O-N 3.32Å; L70-L83 HydrophobicContact CB-CD2 3.64Å; L70-I86 HydrophobicContact CD2-CG2 4.43Å; L70-Y504 HydrophobicContact CD2-CD1 3.79Å; L70-Y504 HydrophobicContact CD2-CG 3.99Å; L70-V511 HydrophobicContact CD2-CG1 3.83Å
71	F	97.6	Very high	95.4	Very high	2 Å²	2	26 Å²	26	1%	0.009	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	135.3	174.6	-58	-75.6	0	0	0	109.9	M61 L62 D64 R69 Y79 S80 L122 L130 V147 F156	M61-F71 CarbonylContact C-O 3.53Å; M61-F71 WeakPolarHBondContact CA-O 3.3Å; L62-F71 HydrophobicContact CB-CB 4.3Å; L62-F71 HydrophobicContact CD2-CD2 4.34Å; L62-F71 PolarHBondContact N-O 2.89Å; L62-F71 PolarHBondContact O-N 3.14Å; D64-F71 HydrophobicContact CB-CD2 4.16Å; D64-F71 HydrophobicContact CB-CE2 3.7Å; R69-F71 HydrophobicContact CB-CE1 4.26Å; R69-F71 HydrophobicContact CB-CE2 4.05Å; R69-F71 HydrophobicContact CB-CZ 3.84Å; R69-F71 HydrophobicContact CG-CZ 4.4Å; F71-Y79 CarbonylContact C-O 3.56Å; F71-Y79 VanDerWaalsContact CA-O 3.29Å; F71-Y79 WeakPolarHBondContact CA-O 3.25Å; F71-S80 WeakPolarHBondContact CE1-OG 3.46Å; F71-L122 HydrophobicContact CB-CD1 4.19Å; F71-L130 HydrophobicContact CB-CD1 4.4Å; F71-L130 HydrophobicContact CD1-CD1 3.72Å; F71-L130 HydrophobicContact CD2-CD1 3.62Å; F71-L130 HydrophobicContact CE1-CD1 3.79Å; F71-L130 HydrophobicContact CE2-CD1 3.68Å; F71-L130 HydrophobicContact CE2-CD2 4.29Å; F71-L130 HydrophobicContact CG-CD1 3.63Å; F71-L130 HydrophobicContact CZ-CD1 3.77Å; F71-V147 HydrophobicContact CE1-CG1 3.89Å; F71-V147 HydrophobicContact CZ-CB 4.47Å; F71-V147 HydrophobicContact CZ-CG1 3.72Å; F71-F156 HydrophobicContact CD1-CD2 4.41Å; F71-F156 AromaticContact CD1-CE2 3.62Å; F71-F156 HydrophobicContact CD1-CE2 3.62Å; F71-F156 HydrophobicContact CD1-CZ 4.26Å; F71-F156 AromaticContact CE1-CD2 3.96Å; F71-F156 HydrophobicContact CE1-CD2 3.96Å; F71-F156 AromaticContact CE1-CE2 3.62Å; F71-F156 HydrophobicContact CE1-CE2 3.62Å
72	V	97.8	Very high	95.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	120.2	-171.5	-176.6	0	0	0	0	108.6	L56 L58 L70 V78 Y79 L81 V511	L56-V72 HydrophobicContact CD1-CG1 4.17Å; L56-V72 HydrophobicContact CD2-CG1 4.31Å; L58-V72 HydrophobicContact CD1-CG1 3.24Å; L70-V72 HydrophobicContact CD2-CG2 4.33Å; L70-V72 HydrophobicContact CG-CG2 3.99Å; V72-V78 CarbonylContact O-C 3.51Å; V72-V78 WeakPolarHBondContact O-CA 3.42Å; V72-Y79 PolarHBondContact N-O 3.05Å; V72-Y79 PolarHBondContact O-N 3.05Å; V72-L81 HydrophobicContact CG2-CD1 3.73Å; V72-L81 HydrophobicContact CG2-CG 4.14Å; V72-V511 HydrophobicContact CG1-CG2 3.99Å; V72-V511 HydrophobicContact CG2-CG2 4.27Å
73	G	97.1	Very high	95.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.8	178.5	0	0	0	0	0	111.1	H59 T60	H59-G73 PolarHBondContact N-O 2.93Å; T60-G73 PolarHBondContact N-O 3.2Å; T60-G73 PolarHBondContact O-N 3.31Å
74	G	95.8	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.			trans	-138.1	-149.6	176.6	0	0	0	0	0	112.4	L56 D57 D76 L77 V119	L56-G74 WeakPolarHBondContact O-CA 3.18Å; D57-G74 WeakPolarHBondContact O-CA 3.44Å; G74-D76 PolarHBondContact O-N 3Å; G74-L77 PolarHBondContact N-O 2.74Å; G74-V119 PolarHBondContact O-N 3.04Å
75	R	95.4	Very high	94.8	Very high	89 Å²	89	37.9 Å²	37.9	34%	0.336	17%	0.166	S	C	.	.	B	Isolated β-bridge	trans	-74.6	119.7	175.8	178.1	178	176.1	166.4	7.9	111	L56 D57 L77 G113 A116 Y118	L56-R75 PolarHBondContact O-N 2.78Å; D57-R75 HydrophobicContact CB-CB 3.6Å; D57-R75 PolarHBondContact O-N 3.01Å; R75-L77 PolarHBondContact O-N 2.72Å; R75-G113 PolarHBondContact NH2-O 3.31Å; R75-A116 HydrophobicContact CG-CB 3.87Å; R75-Y118 HydrophobicContact CB-CD1 3.91Å; R75-Y118 HydrophobicContact CB-CE1 3.73Å; R75-Y118 HydrophobicContact CG-CD1 4.32Å; R75-Y118 HydrophobicContact CG-CE1 3.94Å
76	D	95	Very high	94.9	Very high	31 Å²	31	34.6 Å²	34.6	17%	0.166	15%	0.15	C	C	.	.	S	Bend	trans	57.8	4.6	177.5	-57	-49.1	0	0	0	115.1	G74 W95 P96 N117	G74-D76 PolarHBondContact O-N 3Å; D76-W95 CarbonylContact O-C 3.54Å; D76-W95 PolarHBondContact O-N 2.92Å; D76-P96 HydrophobicContact CB-CB 3.98Å; D76-P96 WeakPolarHBondContact OD1-CA 3.28Å; D76-N117 WeakPolarHBondContact CA-O 3.33Å; D76-N117 PolarHBondContact N-O 3.28Å; D76-N117 PolarHBondContact OD1-N 3.41Å
77	L	94.8	Very high	94.8	Very high	13 Å²	13	31 Å²	31	7%	0.068	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.5	-166.2	-77.2	158.3	0	0	0	112.1	F53 G74 R75 Y79 I93 H94	F53-L77 HydrophobicContact CD2-CD1 3.68Å; F53-L77 HydrophobicContact CE2-CD1 4.14Å; F53-L77 HydrophobicContact CE2-CD2 4.3Å; F53-L77 HydrophobicContact CG-CD1 4.46Å; G74-L77 PolarHBondContact N-O 2.74Å; R75-L77 PolarHBondContact O-N 2.72Å; L77-Y79 HydrophobicContact CB-CE2 4.01Å; L77-Y79 HydrophobicContact CD1-CE2 4.44Å; L77-I93 WeakPolarHBondContact CA-O 3.31Å; L77-H94 HydrophobicContact CD2-CB 4.5Å; L77-H94 VanDerWaalsContact CD2-CE1 3.5Å; L77-H94 WeakPolarHBondContact CD2-CE1 3.44Å
78	V	96.3	Very high	94.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.6	164.9	-167.3	0	0	0	0	108.8	V72 E92 I93 V119 L122 I145 F156	V72-V78 CarbonylContact O-C 3.51Å; V72-V78 WeakPolarHBondContact O-CA 3.42Å; V78-E92 CarbonylContact O-C 3.51Å; V78-E92 WeakPolarHBondContact O-CA 3.41Å; V78-I93 HydrophobicContact CB-CB 4.43Å; V78-I93 PolarHBondContact N-O 2.87Å; V78-I93 PolarHBondContact O-N 3.44Å; V78-V119 HydrophobicContact CG2-CG1 4.26Å; V78-V119 HydrophobicContact CG2-CG2 3.83Å; V78-L122 HydrophobicContact CG1-CD1 4.41Å; V78-L122 HydrophobicContact CG1-CD2 4.22Å; V78-I145 HydrophobicContact CB-CD1 4.3Å; V78-I145 HydrophobicContact CG1-CD1 3.98Å; V78-I145 HydrophobicContact CG2-CD1 4.24Å; V78-F156 HydrophobicContact CB-CZ 4.3Å; V78-F156 HydrophobicContact CG1-CZ 3.93Å; V78-F156 WeakPolarHBondContact O-CE1 3.04Å
79	Y	96.4	Very high	94.3	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	150.8	175.9	-64.3	-80	0	0	0	111.9	F49 S51 F53 L56 F71 V72 L77 Y90 K91 E92	F49-Y79 HydrophobicContact CE1-CD1 4.33Å; F49-Y79 HydrophobicContact CE1-CD2 4.19Å; F49-Y79 HydrophobicContact CE1-CE2 4.42Å; F49-Y79 HydrophobicContact CE1-CG 4.14Å; F49-Y79 AromaticContact CZ-CD1 3.85Å; F49-Y79 HydrophobicContact CZ-CD1 3.85Å; F49-Y79 HydrophobicContact CZ-CD2 4.49Å; F49-Y79 AromaticContact CZ-CE1 3.98Å; F49-Y79 HydrophobicContact CZ-CE1 3.98Å; F49-Y79 HydrophobicContact CZ-CG 4.11Å; S51-Y79 PolarHBondContact OG-OH 2.83Å; F53-Y79 WeakPolarHBondContact CD2-OH 3.27Å; L56-Y79 HydrophobicContact CD1-CD2 3.74Å; L56-Y79 HydrophobicContact CD1-CE2 3.58Å; F71-Y79 CarbonylContact C-O 3.56Å; F71-Y79 VanDerWaalsContact CA-O 3.29Å; F71-Y79 WeakPolarHBondContact CA-O 3.25Å; V72-Y79 PolarHBondContact N-O 3.05Å; V72-Y79 PolarHBondContact O-N 3.05Å; L77-Y79 HydrophobicContact CB-CE2 4.01Å; L77-Y79 HydrophobicContact CD1-CE2 4.44Å; Y79-Y90 AromaticContact CD1-CD2 3.82Å; Y79-Y90 HydrophobicContact CD1-CD2 3.82Å; Y79-Y90 HydrophobicContact CD1-CE2 4.32Å; Y79-Y90 HydrophobicContact CE1-CD2 4.05Å; Y79-Y90 HydrophobicContact CE1-CE2 4.08Å; Y79-K91 CarbonylContact C-O 3.56Å; Y79-K91 VanDerWaalsContact CA-O 3.32Å; Y79-K91 WeakPolarHBondContact CA-O 3.14Å; Y79-E92 HydrophobicContact CD1-CB 3.73Å; Y79-E92 HydrophobicContact CE1-CB 3.67Å; Y79-E92 WeakPolarHBondContact CE1-OE2 3.37Å
80	S	96.1	Very high	94.2	Very high	5 Å²	5	34.8 Å²	34.8	4%	0.035	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	110.4	164.9	-178	0	0	0	0	108.8	R69 F71 Y90 K91	R69-S80 WeakPolarHBondContact CD-OG 3.13Å; F71-S80 WeakPolarHBondContact CE1-OG 3.46Å; S80-Y90 WeakPolarHBondContact O-CA 3Å; S80-K91 PolarHBondContact N-O 2.89Å; S80-K91 PolarHBondContact O-N 2.89Å
81	L	96	Very high	94	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	145	-177.5	-48	-178.2	0	0	0	109.9	F49 R69 L70 V72 I86 V511	F49-L81 HydrophobicContact CB-CD1 4.05Å; F49-L81 HydrophobicContact CD1-CD1 3.75Å; F49-L81 HydrophobicContact CD1-CD2 3.97Å; F49-L81 HydrophobicContact CD2-CD2 3.81Å; F49-L81 HydrophobicContact CE1-CD1 4.36Å; F49-L81 HydrophobicContact CE1-CD2 3.91Å; F49-L81 HydrophobicContact CE2-CD2 3.76Å; F49-L81 HydrophobicContact CG-CD1 3.84Å; F49-L81 HydrophobicContact CG-CD2 3.91Å; F49-L81 HydrophobicContact CZ-CD2 3.81Å; R69-L81 CarbonylContact C-O 3.46Å; R69-L81 VanDerWaalsContact CA-O 3.25Å; R69-L81 WeakPolarHBondContact CA-O 3.07Å; R69-L81 VanDerWaalsContact CD-O 3.26Å; R69-L81 WeakPolarHBondContact CD-O 3.42Å; L70-L81 HydrophobicContact CB-CB 4.31Å; L70-L81 HydrophobicContact CD2-CD1 4.4Å; L70-L81 PolarHBondContact N-O 3.39Å; L70-L81 PolarHBondContact O-N 3.32Å; V72-L81 HydrophobicContact CG2-CD1 3.73Å; V72-L81 HydrophobicContact CG2-CG 4.14Å; L81-I86 HydrophobicContact CB-CB 4.26Å; L81-I86 HydrophobicContact CB-CG2 4.42Å; L81-I86 HydrophobicContact CD1-CB 4.29Å; L81-V511 HydrophobicContact CD1-CB 4.5Å
82	S	94.2	Very high	93.8	Very high	26 Å²	26	41 Å²	41	18%	0.182	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	134.8	175.2	178.4	0	0	0	0	111.2	E84 R85 I86	S82-E84 PolarHBondContact O-N 2.81Å; S82-E84 PolarHBondContact OG-N 2.74Å; S82-R85 CarbonylContact O-C 3.58Å; S82-R85 VanDerWaalsContact O-C 3.23Å; S82-I86 WeakPolarHBondContact O-CA 3.43Å; S82-I86 WeakPolarHBondContact O-CG2 3.47Å; S82-I86 PolarHBondContact O-N 2.8Å
83	L	94.8	Very high	93.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-75	-11.1	172.7	-61.8	-176.3	0	0	0	113.4	L63 E68 L70 Q502 Y504 Q513	L63-L83 HydrophobicContact CD1-CD1 3.74Å; L63-L83 HydrophobicContact CD1-CD2 3.6Å; L63-L83 HydrophobicContact CD1-CG 4.36Å; E68-L83 VanDerWaalsContact C-CG 3.42Å; E68-L83 WeakPolarHBondContact O-CG 3.36Å; E68-L83 PolarHBondContact O-N 2.96Å; L70-L83 HydrophobicContact CB-CD2 3.64Å; L83-Q502 PolarHBondContact O-OE1 2.94Å; L83-Y504 HydrophobicContact CD2-CE1 3.75Å; L83-Y504 HydrophobicContact CD2-CE2 4.1Å; L83-Y504 WeakPolarHBondContact CD2-OH 2.99Å; L83-Q513 PolarHBondContact O-NE2 3.27Å
84	E	92.9	Very high	93.5	Very high	161 Å²	161	46.5 Å²	46.5	75%	0.752	23%	0.232	S	C	*	.	S	Bend	trans	-71.1	-52	171.4	-175.3	176.5	-172.3	0	0	110.2	S82 Q513	S82-E84 PolarHBondContact O-N 2.81Å; S82-E84 PolarHBondContact OG-N 2.74Å; E84-Q513 PolarHBondContact O-NE2 3.39Å
85	R	92.6	Very high	93.4	Very high	134 Å²	134	47.9 Å²	47.9	51%	0.506	24%	0.238	S	C	.	.			trans	-148.6	116	171.6	-166.6	-177.3	-63	151.5	-7.2	110	S82 S87 D88	S82-R85 CarbonylContact O-C 3.58Å; S82-R85 VanDerWaalsContact O-C 3.23Å; R85-S87 VanDerWaalsContact CD-OG 3.22Å; R85-S87 WeakPolarHBondContact CD-OG 3.49Å; R85-S87 WeakPolarHBondContact CG-OG 3.48Å; R85-S87 PolarHBondContact O-N 2.73Å; R85-D88 HydrophobicContact CB-CB 4.45Å; R85-D88 WeakPolarHBondContact CD-OD1 3.44Å; R85-D88 WeakPolarHBondContact CD-OD2 3.39Å; R85-D88 IonicContact CZ-OD2 3.16Å; R85-D88 IonicContact NE-OD2 3.84Å; R85-D88 IonicContact NH1-OD2 3.66Å; R85-D88 PolarHBondContact NH1-OD2 2.83Å; R85-D88 PolarHBondContact O-N 2.91Å
86	I	94.8	Very high	93.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-21.8	-173.8	63.6	163.6	0	0	0	113.7	S47 F49 L70 L81 S82 D88 Y504 V511 Q513	S47-I86 WeakPolarHBondContact O-CD1 3.45Å; F49-I86 HydrophobicContact CB-CD1 4.05Å; F49-I86 HydrophobicContact CB-CG1 4.28Å; L70-I86 HydrophobicContact CD2-CG2 4.43Å; L81-I86 HydrophobicContact CB-CB 4.26Å; L81-I86 HydrophobicContact CB-CG2 4.42Å; L81-I86 HydrophobicContact CD1-CB 4.29Å; S82-I86 WeakPolarHBondContact O-CA 3.43Å; S82-I86 WeakPolarHBondContact O-CG2 3.47Å; S82-I86 PolarHBondContact O-N 2.8Å; I86-D88 VanDerWaalsContact C-N 3.28Å; I86-D88 PolarHBondContact O-N 2.89Å; I86-Y504 HydrophobicContact CG2-CD1 4.11Å; I86-Y504 HydrophobicContact CG2-CE1 4.05Å; I86-V511 HydrophobicContact CD1-CB 4.42Å; I86-V511 HydrophobicContact CD1-CG1 4.05Å; I86-V511 WeakPolarHBondContact CD1-O 3.42Å; I86-Q513 HydrophobicContact CB-CB 4.48Å; I86-Q513 HydrophobicContact CD1-CB 3.71Å; I86-Q513 HydrophobicContact CG1-CB 3.75Å; I86-Q513 HydrophobicContact CG2-CB 3.96Å; I86-Q513 HydrophobicContact CG2-CG 4.42Å; I86-Q513 VanDerWaalsContact N-OE1 3.15Å
87	S	90.1	Very high	93.3	Very high	47 Å²	47	46.4 Å²	46.4	33%	0.329	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-13.7	177.7	60.4	0	0	0	0	114.1	S47 R85	S47-S87 WeakPolarHBondContact OG-CB 3.37Å; S47-S87 PolarHBondContact OG-OG 3.18Å; R85-S87 VanDerWaalsContact CD-OG 3.22Å; R85-S87 WeakPolarHBondContact CD-OG 3.49Å; R85-S87 WeakPolarHBondContact CG-OG 3.48Å; R85-S87 PolarHBondContact O-N 2.73Å
88	D	88.7	Confident	93.3	Very high	71 Å²	71	49.8 Å²	49.8	38%	0.38	26%	0.263	S	S	.	.	S	Bend	trans	-115.1	138.2	-167.4	-62.9	10.2	0	0	0	111.3	R85 I86 Y90	R85-D88 HydrophobicContact CB-CB 4.45Å; R85-D88 WeakPolarHBondContact CD-OD1 3.44Å; R85-D88 WeakPolarHBondContact CD-OD2 3.39Å; R85-D88 IonicContact CZ-OD2 3.16Å; R85-D88 IonicContact NE-OD2 3.84Å; R85-D88 IonicContact NH1-OD2 3.66Å; R85-D88 PolarHBondContact NH1-OD2 2.83Å; R85-D88 PolarHBondContact O-N 2.91Å; I86-D88 VanDerWaalsContact C-N 3.28Å; I86-D88 PolarHBondContact O-N 2.89Å; D88-Y90 PolarHBondContact O-N 2.85Å
89	G	82.6	Confident	93.2	Very high	62 Å²	62	52.8 Å²	52.8	64%	0.639	29%	0.287	S	S	*	.	S	Bend	trans	61	40	167.3	0	0	0	0	0	115	R69	R69-G89 PolarHBondContact NH1-O 2.88Å
90	Y	92	Very high	93.2	Very high	89 Å²	89	57.8 Å²	57.8	35%	0.349	31%	0.314	S	S	.	.			trans	-69.1	152.6	176.2	74.2	-91.1	0	0	0	111.6	F49 P52 Y79 S80 D88 E92	F49-Y90 AromaticContact CE2-CD1 3.72Å; F49-Y90 HydrophobicContact CE2-CD1 3.72Å; F49-Y90 HydrophobicContact CE2-CD2 4.43Å; F49-Y90 HydrophobicContact CE2-CE1 4.34Å; F49-Y90 AromaticContact CE2-CG 3.8Å; F49-Y90 HydrophobicContact CE2-CG 3.8Å; F49-Y90 HydrophobicContact CZ-CG 4.28Å; P52-Y90 HydrophobicContact CG-CE1 4.04Å; P52-Y90 HydrophobicContact CG-CE2 4.07Å; P52-Y90 VanDerWaalsContact CG-CZ 3.44Å; P52-Y90 WeakPolarHBondContact CG-OH 3.49Å; Y79-Y90 AromaticContact CD1-CD2 3.82Å; Y79-Y90 HydrophobicContact CD1-CD2 3.82Å; Y79-Y90 HydrophobicContact CD1-CE2 4.32Å; Y79-Y90 HydrophobicContact CE1-CD2 4.05Å; Y79-Y90 HydrophobicContact CE1-CE2 4.08Å; S80-Y90 WeakPolarHBondContact O-CA 3Å; D88-Y90 PolarHBondContact O-N 2.85Å; Y90-E92 HydrophobicContact CD2-CB 4.47Å; Y90-E92 HydrophobicContact CE2-CB 4.38Å; Y90-E92 HydrophobicContact CE2-CG 4.37Å; Y90-E92 WeakPolarHBondContact CE2-OE2 3.28Å
91	K	92.8	Very high	93.1	Very high	72 Å²	72	59.9 Å²	59.9	31%	0.313	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	151.1	166.4	-62	-178.8	176.9	-179.1	0	109.2	Y79 S80 P154 F156	Y79-K91 CarbonylContact C-O 3.56Å; Y79-K91 VanDerWaalsContact CA-O 3.32Å; Y79-K91 WeakPolarHBondContact CA-O 3.14Å; S80-K91 PolarHBondContact N-O 2.89Å; S80-K91 PolarHBondContact O-N 2.89Å; K91-P154 PolarHBondContact NZ-O 3.38Å; K91-F156 HydrophobicContact CB-CB 4.14Å; K91-F156 HydrophobicContact CB-CD1 3.66Å; K91-F156 HydrophobicContact CB-CE1 4.43Å; K91-F156 HydrophobicContact CB-CG 4.17Å; K91-F156 HydrophobicContact CD-CB 3.88Å
92	E	93.6	Very high	93.1	Very high	61 Å²	61	62.8 Å²	62.8	29%	0.285	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.3	-178.2	65.3	-177.3	-151.8	0	0	111.9	F53 V78 Y79 Y90 H94	F53-E92 WeakPolarHBondContact CE2-OE2 3.27Å; V78-E92 CarbonylContact O-C 3.51Å; V78-E92 WeakPolarHBondContact O-CA 3.41Å; Y79-E92 HydrophobicContact CD1-CB 3.73Å; Y79-E92 HydrophobicContact CE1-CB 3.67Å; Y79-E92 WeakPolarHBondContact CE1-OE2 3.37Å; Y90-E92 HydrophobicContact CD2-CB 4.47Å; Y90-E92 HydrophobicContact CE2-CB 4.38Å; Y90-E92 HydrophobicContact CE2-CG 4.37Å; Y90-E92 WeakPolarHBondContact CE2-OE2 3.28Å; E92-H94 IonicContact OE1-CD2 3.59Å; E92-H94 IonicContact OE1-CE1 2.7Å; E92-H94 IonicContact OE1-NE2 2.84Å; E92-H94 PolarHBondContact OE1-NE2 2.82Å
93	I	94.4	Very high	93.2	Very high	13 Å²	13	67.6 Å²	67.6	7%	0.067	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.8	169.9	-72.2	168.2	0	0	0	106.8	L77 V78 W95 I145 F156 L158	L77-I93 WeakPolarHBondContact CA-O 3.31Å; V78-I93 HydrophobicContact CB-CB 4.43Å; V78-I93 PolarHBondContact N-O 2.87Å; V78-I93 PolarHBondContact O-N 3.44Å; I93-W95 HydrophobicContact CG2-CB 4.33Å; I93-I145 HydrophobicContact CD1-CB 4.44Å; I93-I145 HydrophobicContact CD1-CD1 4.1Å; I93-I145 HydrophobicContact CD1-CG1 4.01Å; I93-I145 HydrophobicContact CD1-CG2 3.62Å; I93-F156 HydrophobicContact CB-CE1 4.17Å; I93-F156 HydrophobicContact CD1-CD1 3.73Å; I93-F156 HydrophobicContact CD1-CD2 4.15Å; I93-F156 HydrophobicContact CD1-CE1 3.62Å; I93-F156 HydrophobicContact CD1-CE2 4.03Å; I93-F156 HydrophobicContact CD1-CG 4.01Å; I93-F156 HydrophobicContact CD1-CZ 3.77Å; I93-F156 HydrophobicContact CG1-CD1 3.66Å; I93-F156 HydrophobicContact CG1-CE1 3.57Å; I93-F156 HydrophobicContact CG1-CG 4.38Å; I93-F156 HydrophobicContact CG1-CZ 4.2Å; I93-L158 HydrophobicContact CD1-CB 4.36Å; I93-L158 HydrophobicContact CG2-CB 3.87Å; I93-L158 HydrophobicContact CG2-CD2 4.28Å; I93-L158 HydrophobicContact CG2-CG 4.47Å
94	H	94	Very high	93.3	Very high	101 Å²	101	72.1 Å²	72.1	47%	0.468	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	117	169.4	-72	-96.5	0	0	0	109	F53 L77 E92 P96	F53-H94 AromaticContact CE1-CE1 3.98Å; F53-H94 AromaticContact CE2-CE1 3.51Å; F53-H94 AromaticContact CE2-NE2 3.78Å; F53-H94 AromaticContact CZ-CE1 3.25Å; F53-H94 WeakPolarHBondContact CZ-CE1 3.47Å; F53-H94 AromaticContact CZ-NE2 3.53Å; L77-H94 HydrophobicContact CD2-CB 4.5Å; L77-H94 VanDerWaalsContact CD2-CE1 3.5Å; L77-H94 WeakPolarHBondContact CD2-CE1 3.44Å; E92-H94 IonicContact OE1-CD2 3.59Å; E92-H94 IonicContact OE1-CE1 2.7Å; E92-H94 IonicContact OE1-NE2 2.84Å; E92-H94 PolarHBondContact OE1-NE2 2.82Å; H94-P96 VanDerWaalsContact C-CD 3.5Å
95	W	94.1	Very high	93.4	Very high	30 Å²	30	64.6 Å²	64.6	11%	0.114	34%	0.342	C	S	.	.			trans	-135	60.8	-179.4	-169.1	32.4	0	0	0	112.6	D76 I93 N117 V119 T132 V141 A143 L158	D76-W95 CarbonylContact O-C 3.54Å; D76-W95 PolarHBondContact O-N 2.92Å; I93-W95 HydrophobicContact CG2-CB 4.33Å; W95-N117 VanDerWaalsContact CD2-ND2 3.33Å; W95-N117 VanDerWaalsContact CE3-ND2 3.35Å; W95-N117 WeakPolarHBondContact O-CB 3.42Å; W95-N117 PolarHBondContact O-ND2 3.4Å; W95-V119 HydrophobicContact CE3-CG2 4.28Å; W95-T132 HydrophobicContact CE3-CG2 4.24Å; W95-T132 HydrophobicContact CH2-CG2 4.08Å; W95-T132 HydrophobicContact CZ3-CG2 3.67Å; W95-V141 HydrophobicContact CH2-CG2 4.07Å; W95-V141 HydrophobicContact CZ2-CB 4.3Å; W95-V141 HydrophobicContact CZ2-CG2 3.7Å; W95-A143 HydrophobicContact CH2-CB 3.96Å; W95-A143 HydrophobicContact CZ2-CB 3.7Å; W95-L158 HydrophobicContact CB-CD2 4.25Å; W95-L158 HydrophobicContact CD2-CD2 4.19Å; W95-L158 HydrophobicContact CG-CD2 3.73Å
96	P	94.4	Very high	93.6	Very high	75 Å²	75	61.9 Å²	61.9	49%	0.487	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-75.5	162.7	178.2	32.2	-36.3	0	0	0	113.4	D76 H94	D76-P96 HydrophobicContact CB-CB 3.98Å; D76-P96 WeakPolarHBondContact OD1-CA 3.28Å; H94-P96 VanDerWaalsContact C-CD 3.5Å
97	S	94.5	Very high	93.7	Very high	13 Å²	13	69.8 Å²	69.8	9%	0.091	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-70.7	154.4	167.9	-63.3	0	0	0	0	111.6	N117 G136 A137	S97-N117 PolarHBondContact OG-N 3.41Å; S97-G136 WeakPolarHBondContact OG-CA 3.31Å; S97-A137 PolarHBondContact OG-N 2.94Å; S97-A137 VanDerWaalsContact OG-N 3.15Å
98	T	93.8	Very high	93.9	Very high	85 Å²	85	73.3 Å²	73.3	52%	0.521	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-69.7	149.8	176.4	61.3	0	0	0	0	111	L100 K101 M102	T98-L100 PolarHBondContact O-N 3.36Å; T98-K101 PolarHBondContact O-N 3.06Å; T98-K101 WeakPolarHBondContact OG1-CG 3.49Å; T98-K101 PolarHBondContact OG1-N 3.46Å; T98-M102 WeakPolarHBondContact O-CG 3.4Å; T98-M102 PolarHBondContact O-N 3.21Å
99	A	95.4	Very high	94.1	Very high	62 Å²	62	73 Å²	73	51%	0.512	40%	0.4	S	S	.	.	H	α-helix	trans	-52	-43.5	178.9	0	0	0	0	0	112.8	K101 M102 E103	A99-K101 PolarHBondContact O-N 3.34Å; A99-M102 HydrophobicContact CB-CE 4.48Å; A99-M102 PolarHBondContact O-N 3.16Å; A99-E103 WeakPolarHBondContact O-CG 3.26Å; A99-E103 PolarHBondContact O-N 3.35Å
100	L	95.3	Very high	94.7	Very high	107 Å²	107	72 Å²	72	56%	0.56	38%	0.377	S	S	*	.	H	α-helix	trans	-60.4	-41.9	177.1	-176.8	141.9	0	0	0	112.9	T98 E103 E104	T98-L100 PolarHBondContact O-N 3.36Å; L100-E103 PolarHBondContact O-N 3.27Å; L100-E104 HydrophobicContact CD2-CG 4.47Å; L100-E104 VanDerWaalsContact CD2-OE1 3.28Å; L100-E104 WeakPolarHBondContact CD2-OE1 3.31Å; L100-E104 WeakPolarHBondContact O-CB 3.37Å; L100-E104 WeakPolarHBondContact O-CG 3.47Å; L100-E104 PolarHBondContact O-N 3.43Å
101	K	93.8	Very high	94.7	Very high	48 Å²	48	73.3 Å²	73.3	21%	0.209	39%	0.39	C	S	.	.	H	α-helix	trans	-66.5	-39.6	176	-78.4	-176	165.3	-156.7	0	112.2	T98 A99 E104 C105 D139	T98-K101 PolarHBondContact O-N 3.06Å; T98-K101 WeakPolarHBondContact OG1-CG 3.49Å; T98-K101 PolarHBondContact OG1-N 3.46Å; A99-K101 PolarHBondContact O-N 3.34Å; K101-E104 PolarHBondContact O-N 3.49Å; K101-C105 WeakPolarHBondContact O-CB 3.41Å; K101-C105 PolarHBondContact O-N 3.11Å; K101-D139 WeakPolarHBondContact CE-OD2 3.48Å; K101-D139 IonicContact NZ-OD2 3.74Å; K101-D139 PolarHBondContact NZ-OD2 3.22Å
102	M	96.3	Very high	94.7	Very high	61 Å²	61	73.1 Å²	73.1	30%	0.3	40%	0.402	S	S	.	.	H	α-helix	trans	-64.7	-44.3	177.3	-62.5	-170.8	-73	0	0	110.9	T98 A99 C105 I106 C115 A137	T98-M102 WeakPolarHBondContact O-CG 3.4Å; T98-M102 PolarHBondContact O-N 3.21Å; A99-M102 HydrophobicContact CB-CE 4.48Å; A99-M102 PolarHBondContact O-N 3.16Å; M102-C105 WeakPolarHBondContact O-CB 3.2Å; M102-C105 PolarHBondContact O-N 2.58Å; M102-I106 VanDerWaalsContact O-CG1 3.3Å; M102-I106 WeakPolarHBondContact O-CG1 3.4Å; M102-I106 PolarHBondContact O-N 3.48Å; M102-C115 VanDerWaalsContact CG-O 3.24Å; M102-C115 WeakPolarHBondContact CG-O 3.4Å; M102-A137 HydrophobicContact CG-CB 4.26Å
103	E	96.6	Very high	94.6	Very high	127 Å²	127	71.9 Å²	71.9	59%	0.593	41%	0.406	S	S	*	.	H	α-helix	trans	-61	-46.1	174.4	-74.1	174.2	-169	0	0	111.9	A99 L100 C105 I106 M107	A99-E103 WeakPolarHBondContact O-CG 3.26Å; A99-E103 PolarHBondContact O-N 3.35Å; L100-E103 PolarHBondContact O-N 3.27Å; E103-C105 VanDerWaalsContact C-N 3.29Å; E103-C105 PolarHBondContact O-N 3.37Å; E103-I106 PolarHBondContact O-N 3.04Å; E103-M107 WeakPolarHBondContact O-CB 3.31Å; E103-M107 VanDerWaalsContact O-CG 3.22Å; E103-M107 WeakPolarHBondContact O-CG 3.32Å; E103-M107 PolarHBondContact O-N 2.78Å
104	E	96.1	Very high	94.6	Very high	95 Å²	95	73.9 Å²	73.9	44%	0.444	42%	0.415	S	S	.	.	H	α-helix	trans	-59.5	-39.5	175.4	-77.1	-177.9	-172.4	0	0	112.6	L100 K101 K108	L100-E104 HydrophobicContact CD2-CG 4.47Å; L100-E104 VanDerWaalsContact CD2-OE1 3.28Å; L100-E104 WeakPolarHBondContact CD2-OE1 3.31Å; L100-E104 WeakPolarHBondContact O-CB 3.37Å; L100-E104 WeakPolarHBondContact O-CG 3.47Å; L100-E104 PolarHBondContact O-N 3.43Å; K101-E104 PolarHBondContact O-N 3.49Å; E104-K108 WeakPolarHBondContact O-CD 3.19Å; E104-K108 VanDerWaalsContact O-CG 3.26Å; E104-K108 WeakPolarHBondContact O-CG 3.48Å; E104-K108 PolarHBondContact O-N 3Å; E104-K108 VanDerWaalsContact O-N 3.12Å
105	C	96.3	Very high	94.7	Very high	3 Å²	3	69.1 Å²	69.1	2%	0.02	39%	0.394	C	S	.	.	H	α-helix	trans	-62.9	-46.6	176.2	170.8	0	0	0	0	111.6	K101 M102 E103 K108 K110 C115 A137 F138	K101-C105 WeakPolarHBondContact O-CB 3.41Å; K101-C105 PolarHBondContact O-N 3.11Å; M102-C105 WeakPolarHBondContact O-CB 3.2Å; M102-C105 PolarHBondContact O-N 2.58Å; E103-C105 VanDerWaalsContact C-N 3.29Å; E103-C105 PolarHBondContact O-N 3.37Å; C105-K108 PolarHBondContact O-N 3.19Å; C105-K110 PolarHBondContact O-N 2.82Å; C105-C115 HydrophobicContact CB-CB 3.7Å; C105-C115 WeakPolarHBondContact CB-SG 3.33Å; C105-C115 WeakPolarHBondContact SG-CA 3.32Å; C105-C115 WeakPolarHBondContact SG-CB 3.33Å; C105-C115 CovalentContact SG-SG 2.04Å; C105-C115 PolarHBondContact SG-SG 2.82Å; C105-A137 HydrophobicContact CB-CB 4.22Å; C105-F138 WeakPolarHBondContact SG-CD2 3.46Å
106	I	96.6	Very high	94.7	Very high	78 Å²	78	67.8 Å²	67.8	40%	0.4	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-43.3	177.8	-65.7	165.1	0	0	0	110.5	M102 E103 K108 G109 A112 C115	M102-I106 VanDerWaalsContact O-CG1 3.3Å; M102-I106 WeakPolarHBondContact O-CG1 3.4Å; M102-I106 PolarHBondContact O-N 3.48Å; E103-I106 PolarHBondContact O-N 3.04Å; I106-K108 PolarHBondContact O-N 2.73Å; I106-G109 WeakPolarHBondContact O-CA 3.4Å; I106-G109 PolarHBondContact O-N 2.76Å; I106-A112 HydrophobicContact CD1-CB 4.07Å; I106-A112 HydrophobicContact CG1-CB 4.43Å; I106-C115 HydrophobicContact CG1-CB 4.1Å; I106-C115 PolarHBondContact N-SG 2.98Å
107	M	95.8	Very high	94.8	Very high	165 Å²	165	64.3 Å²	64.3	81%	0.813	37%	0.366	S	S	*	.	H	α-helix	trans	-63.4	-24.7	177.8	-71.8	-63.8	-66.3	0	0	113.1	E103	E103-M107 WeakPolarHBondContact O-CB 3.31Å; E103-M107 VanDerWaalsContact O-CG 3.22Å; E103-M107 WeakPolarHBondContact O-CG 3.32Å; E103-M107 PolarHBondContact O-N 2.78Å
108	K	94.4	Very high	95	Very high	121 Å²	121	64.3 Å²	64.3	53%	0.526	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	0.3	172.5	-71.7	168.1	-175	164.6	0	113.4	E104 C105 I106 Y195	E104-K108 WeakPolarHBondContact O-CD 3.19Å; E104-K108 VanDerWaalsContact O-CG 3.26Å; E104-K108 WeakPolarHBondContact O-CG 3.48Å; E104-K108 PolarHBondContact O-N 3Å; E104-K108 VanDerWaalsContact O-N 3.12Å; C105-K108 PolarHBondContact O-N 3.19Å; I106-K108 PolarHBondContact O-N 2.73Å; K108-Y195 WeakPolarHBondContact CB-OH 3.45Å; K108-Y195 HydrophobicContact CD-CE2 4.16Å
109	G	93.3	Very high	95.1	Very high	66 Å²	66	60.3 Å²	60.3	68%	0.68	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	96	17.1	171.1	0	0	0	0	0	115.5	I106	I106-G109 WeakPolarHBondContact O-CA 3.4Å; I106-G109 PolarHBondContact O-N 2.76Å
110	K	94.6	Very high	95.2	Very high	40 Å²	40	59.1 Å²	59.1	17%	0.174	32%	0.322	C	S	.	.			trans	-88.9	153.9	172.5	-72.8	-73.2	-178.5	167	0	111.5	C105 E114 F138 D173 Y195	C105-K110 PolarHBondContact O-N 2.82Å; K110-E114 VanDerWaalsContact CD-OE2 3.3Å; K110-E114 WeakPolarHBondContact CD-OE2 2.98Å; K110-F138 HydrophobicContact CB-CE2 4.23Å; K110-F138 HydrophobicContact CD-CD1 4.49Å; K110-F138 HydrophobicContact CD-CE1 3.75Å; K110-F138 HydrophobicContact CD-CE2 3.85Å; K110-F138 HydrophobicContact CD-CZ 3.38Å; K110-F138 HydrophobicContact CG-CD1 4.46Å; K110-F138 HydrophobicContact CG-CD2 4.21Å; K110-F138 HydrophobicContact CG-CE1 4.16Å; K110-F138 HydrophobicContact CG-CE2 3.86Å; K110-F138 HydrophobicContact CG-CZ 3.86Å; K110-D173 IonicContact NZ-OD2 3.68Å; K110-D173 PolarHBondContact NZ-OD2 2.71Å; K110-Y195 WeakPolarHBondContact CG-OH 2.97Å
111	D	93.5	Very high	95.3	Very high	116 Å²	116	54 Å²	54	62%	0.62	30%	0.295	S	S	*	.			trans	-70.2	145.5	179.8	-73.7	-28.4	0	0	0	110.7	G113 E114 C115	D111-G113 PolarHBondContact O-N 2.88Å; D111-E114 HydrophobicContact CB-CG 4.07Å; D111-E114 PolarHBondContact N-OE2 2.85Å; D111-E114 PolarHBondContact O-N 2.77Å; D111-C115 PolarHBondContact O-N 2.88Å; D111-C115 PolarHBondContact O-SG 2.9Å
112	A	92.6	Very high	95.5	Very high	68 Å²	68	52 Å²	52	56%	0.562	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.9	179.5	0	0	0	0	0	113	I106	I106-A112 HydrophobicContact CD1-CB 4.07Å; I106-A112 HydrophobicContact CG1-CB 4.43Å
113	G	91.4	Very high	95.5	Very high	36 Å²	36	50.8 Å²	50.8	37%	0.371	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-42.4	172.1	0	0	0	0	0	112.7	R75 D111 Y118	R75-G113 PolarHBondContact NH2-O 3.31Å; D111-G113 PolarHBondContact O-N 2.88Å; G113-Y118 PolarHBondContact O-OH 3.46Å
114	E	93	Very high	95.5	Very high	54 Å²	54	48.5 Å²	48.5	25%	0.252	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-21.1	-176	-54.6	176.6	122.6	0	0	112.8	K110 D111 A116 Y118 F138	K110-E114 VanDerWaalsContact CD-OE2 3.3Å; K110-E114 WeakPolarHBondContact CD-OE2 2.98Å; D111-E114 HydrophobicContact CB-CG 4.07Å; D111-E114 PolarHBondContact N-OE2 2.85Å; D111-E114 PolarHBondContact O-N 2.77Å; E114-A116 PolarHBondContact O-N 3.18Å; E114-Y118 WeakPolarHBondContact O-CE2 3.29Å; E114-F138 HydrophobicContact CB-CE2 3.84Å; E114-F138 HydrophobicContact CB-CZ 4.3Å
115	C	96.5	Very high	95.3	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.014	27%	0.265	C	S	.	.	S	Bend	trans	-81	56.7	179.7	-63.9	0	0	0	0	112.6	M102 C105 I106 D111 A137	M102-C115 VanDerWaalsContact CG-O 3.24Å; M102-C115 WeakPolarHBondContact CG-O 3.4Å; C105-C115 HydrophobicContact CB-CB 3.7Å; C105-C115 WeakPolarHBondContact CB-SG 3.33Å; C105-C115 WeakPolarHBondContact SG-CA 3.32Å; C105-C115 WeakPolarHBondContact SG-CB 3.33Å; C105-C115 CovalentContact SG-SG 2.04Å; C105-C115 PolarHBondContact SG-SG 2.82Å; I106-C115 HydrophobicContact CG1-CB 4.1Å; I106-C115 PolarHBondContact N-SG 2.98Å; D111-C115 PolarHBondContact O-N 2.88Å; D111-C115 PolarHBondContact O-SG 2.9Å; C115-A137 HydrophobicContact CB-CB 4.44Å
116	A	95.7	Very high	95.1	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	28%	0.282	C	S	.	.	S	Bend	trans	-129.8	174.4	175.7	0	0	0	0	0	111.1	R75 E114 Y118 T135 A137	R75-A116 HydrophobicContact CG-CB 3.87Å; E114-A116 PolarHBondContact O-N 3.18Å; A116-Y118 HydrophobicContact CB-CD2 4.21Å; A116-Y118 HydrophobicContact CB-CE2 3.75Å; A116-T135 PolarHBondContact O-OG1 2Å; A116-T135 VanDerWaalsContact O-OG1 3.08Å; A116-A137 WeakPolarHBondContact O-CA 3.34Å; A116-A137 PolarHBondContact O-N 3.16Å
117	N	96.4	Very high	94.7	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.011	30%	0.297	C	S	.	.			trans	-90.8	99.7	171.7	-173.6	29.5	0	0	0	110.7	D76 W95 S97 G134 T135 G136	D76-N117 WeakPolarHBondContact CA-O 3.33Å; D76-N117 PolarHBondContact N-O 3.28Å; D76-N117 PolarHBondContact OD1-N 3.41Å; W95-N117 VanDerWaalsContact CD2-ND2 3.33Å; W95-N117 VanDerWaalsContact CE3-ND2 3.35Å; W95-N117 WeakPolarHBondContact O-CB 3.42Å; W95-N117 PolarHBondContact O-ND2 3.4Å; S97-N117 PolarHBondContact OG-N 3.41Å; N117-G134 WeakPolarHBondContact OD1-CA 3.49Å; N117-T135 PolarHBondContact OD1-N 3.43Å; N117-G136 PolarHBondContact OD1-N 2.86Å
118	Y	97.1	Very high	94.4	Very high	14 Å²	14	50 Å²	50	6%	0.055	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-90.6	117.2	177.1	-69.3	-85.7	0	0	0	110.1	D57 H59 R75 G113 E114 A116 R120 G134 T135 P174	D57-Y118 HydrophobicContact CB-CE1 4.4Å; D57-Y118 VanDerWaalsContact OD2-CE1 3.27Å; D57-Y118 WeakPolarHBondContact OD2-CE1 3.3Å; H59-Y118 AromaticContact CD2-CD1 3.43Å; H59-Y118 VanDerWaalsContact CD2-CD1 3.43Å; H59-Y118 WeakPolarHBondContact CD2-CD1 3.48Å; H59-Y118 AromaticContact NE2-CD1 3.07Å; H59-Y118 WeakPolarHBondContact NE2-CD1 3.38Å; H59-Y118 AromaticContact NE2-CE1 3.66Å; H59-Y118 AromaticContact NE2-CG 3.78Å; R75-Y118 HydrophobicContact CB-CD1 3.91Å; R75-Y118 HydrophobicContact CB-CE1 3.73Å; R75-Y118 HydrophobicContact CG-CD1 4.32Å; R75-Y118 HydrophobicContact CG-CE1 3.94Å; G113-Y118 PolarHBondContact O-OH 3.46Å; E114-Y118 WeakPolarHBondContact O-CE2 3.29Å; A116-Y118 HydrophobicContact CB-CD2 4.21Å; A116-Y118 HydrophobicContact CB-CE2 3.75Å; Y118-R120 PolarHBondContact O-N 3.4Å; Y118-G134 CarbonylContact O-C 3.51Å; Y118-G134 WeakPolarHBondContact O-CA 3.36Å; Y118-T135 PolarHBondContact N-OG1 3.02Å; Y118-T135 PolarHBondContact O-N 3.07Å; Y118-P174 HydrophobicContact CD1-CB 4.15Å; Y118-P174 HydrophobicContact CD2-CB 3.63Å; Y118-P174 HydrophobicContact CD2-CG 3.79Å; Y118-P174 HydrophobicContact CE2-CB 4.13Å; Y118-P174 HydrophobicContact CE2-CG 3.89Å; Y118-P174 HydrophobicContact CG-CB 3.6Å; Y118-P174 HydrophobicContact CG-CG 4.27Å
119	V	97.6	Very high	94.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	117.1	-179.1	-179.9	0	0	0	0	109.3	H59 T60 G74 V78 W95 L122	H59-V119 VanDerWaalsContact CB-O 3.3Å; H59-V119 WeakPolarHBondContact CB-O 3.44Å; T60-V119 HydrophobicContact CG2-CG1 4.09Å; T60-V119 WeakPolarHBondContact CG2-O 3.45Å; G74-V119 PolarHBondContact O-N 3.04Å; V78-V119 HydrophobicContact CG2-CG1 4.26Å; V78-V119 HydrophobicContact CG2-CG2 3.83Å; W95-V119 HydrophobicContact CE3-CG2 4.28Å; V119-L122 HydrophobicContact CG1-CD2 4.2Å; V119-L122 HydrophobicContact CG1-CG 4.17Å
120	R	97.3	Very high	94.5	Very high	37 Å²	37	42.6 Å²	42.6	14%	0.14	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-16.2	-175.7	-60.3	-65.5	-70	-169.3	-9.7	113.3	H59 Y118 C133 T135 P171 P174 S176 F178	H59-R120 PolarHBondContact ND1-NH1 2.89Å; Y118-R120 PolarHBondContact O-N 3.4Å; R120-C133 PolarHBondContact N-O 3.44Å; R120-T135 HydrophobicContact CG-CG2 4.09Å; R120-P171 HydrophobicContact CG-CG 4.14Å; R120-P174 PolarHBondContact NH1-O 2.92Å; R120-P174 PolarHBondContact NH2-O 3.45Å; R120-S176 PolarHBondContact NH2-O 3.38Å; R120-S176 VanDerWaalsContact NH2-O 3.07Å; R120-F178 HydrophobicContact CB-CD1 4.26Å; R120-F178 HydrophobicContact CB-CE1 4.37Å; R120-F178 WeakPolarHBondContact O-CE1 3.12Å
121	V	97.4	Very high	94.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.5	-176.7	-173.4	0	0	0	0	109.1	L131 T132 C133 R169 C170 F178 L187	V121-L131 HydrophobicContact CG1-CD2 4.5Å; V121-T132 VanDerWaalsContact O-CA 3.26Å; V121-T132 WeakPolarHBondContact O-CA 3.47Å; V121-T132 PolarHBondContact O-OG1 2.83Å; V121-C133 HydrophobicContact CB-CB 3.72Å; V121-C133 HydrophobicContact CG2-CB 3.71Å; V121-C133 PolarHBondContact N-O 3.38Å; V121-C133 VanDerWaalsContact N-O 3.12Å; V121-C133 PolarHBondContact O-N 3.45Å; V121-C133 VanDerWaalsContact O-N 3.14Å; V121-R169 WeakPolarHBondContact CG2-O 3.34Å; V121-C170 HydrophobicContact CG2-CB 4.28Å; V121-F178 HydrophobicContact CG2-CE1 3.75Å; V121-F178 HydrophobicContact CG2-CE2 4.43Å; V121-F178 HydrophobicContact CG2-CZ 3.44Å; V121-F178 VanDerWaalsContact CG2-CZ 3.44Å; V121-L187 HydrophobicContact CG1-CD1 4.47Å
122	L	97.3	Very high	94.7	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	115.4	166.2	-72.4	179	0	0	0	108.3	T60 L62 F71 V78 V119 L131	T60-L122 HydrophobicContact CG2-CB 4.33Å; T60-L122 HydrophobicContact CG2-CD1 3.77Å; T60-L122 HydrophobicContact CG2-CG 3.78Å; L62-L122 HydrophobicContact CB-CB 4Å; L62-L122 HydrophobicContact CD2-CB 4.27Å; F71-L122 HydrophobicContact CB-CD1 4.19Å; V78-L122 HydrophobicContact CG1-CD1 4.41Å; V78-L122 HydrophobicContact CG1-CD2 4.22Å; V119-L122 HydrophobicContact CG1-CD2 4.2Å; V119-L122 HydrophobicContact CG1-CG 4.17Å; L122-L131 WeakPolarHBondContact CA-O 3.26Å
123	H	97.3	Very high	94.9	Very high	36 Å²	36	32 Å²	32	17%	0.167	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.8	176.9	-73.6	-68	0	0	0	111.5	Y125 L130 L131 S180 L182	H123-Y125 PolarHBondContact O-N 3.44Å; H123-Y125 VanDerWaalsContact O-N 3.1Å; H123-L130 CarbonylContact O-C 3.57Å; H123-L130 VanDerWaalsContact O-CA 3.29Å; H123-L130 WeakPolarHBondContact O-CA 3.31Å; H123-L131 PolarHBondContact N-O 3.36Å; H123-L131 PolarHBondContact O-N 3.17Å; H123-S180 PolarHBondContact CE1-O 3.31Å; H123-S180 VanDerWaalsContact CE1-O 3.27Å; H123-S180 PolarHBondContact NE2-O 3.41Å; H123-S180 PolarHBondContact NE2-OG 2.89Å; H123-L182 HydrophobicContact CB-CB 3.77Å; H123-L182 HydrophobicContact CB-CD2 3.85Å; H123-L182 HydrophobicContact CB-CG 4.43Å
124	H	95.4	Very high	95.2	Very high	79 Å²	79	30.2 Å²	30.2	37%	0.366	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	106	167.3	-61.2	-63.6	0	0	0	110.2	D64 L130 L182	D64-H124 IonicContact OD2-CE1 3.21Å; D64-H124 PolarHBondContact OD2-CE1 2.99Å; D64-H124 IonicContact OD2-ND1 2.85Å; H124-L130 WeakPolarHBondContact ND1-CD2 3.28Å; H124-L182 VanDerWaalsContact O-CD2 3.3Å; H124-L182 WeakPolarHBondContact O-CD2 3.24Å
125	Y	93	Very high	95.4	Very high	93 Å²	93	27.7 Å²	27.7	37%	0.365	12%	0.12	S	C	.	.			trans	-76.1	-44.1	176.6	-178.8	-111.3	0	0	0	111.4	H123 H129 F144 L182 M206	H123-Y125 PolarHBondContact O-N 3.44Å; H123-Y125 VanDerWaalsContact O-N 3.1Å; Y125-H129 WeakPolarHBondContact CB-O 3.41Å; Y125-H129 HydrophobicContact CD1-CB 4.38Å; Y125-H129 PolarHBondContact N-O 2.96Å; Y125-F144 AromaticContact CD1-CD1 3.96Å; Y125-F144 HydrophobicContact CD1-CD1 3.96Å; Y125-F144 AromaticContact CD1-CE1 3.62Å; Y125-F144 HydrophobicContact CD1-CE1 3.62Å; Y125-F144 AromaticContact CD2-CE1 3.67Å; Y125-F144 HydrophobicContact CD2-CE1 3.67Å; Y125-F144 HydrophobicContact CD2-CZ 4.46Å; Y125-F144 HydrophobicContact CE1-CD1 4.45Å; Y125-F144 AromaticContact CE1-CE1 3.83Å; Y125-F144 HydrophobicContact CE1-CE1 3.83Å; Y125-F144 HydrophobicContact CE1-CZ 4.32Å; Y125-F144 AromaticContact CE2-CE1 3.89Å; Y125-F144 HydrophobicContact CE2-CE1 3.89Å; Y125-F144 HydrophobicContact CE2-CZ 4.26Å; Y125-F144 HydrophobicContact CG-CD1 4.02Å; Y125-F144 AromaticContact CG-CE1 3.53Å; Y125-F144 HydrophobicContact CG-CE1 3.53Å; Y125-F144 AromaticContact CZ-CE1 3.96Å; Y125-L182 HydrophobicContact CD2-CD2 4.17Å; Y125-M206 HydrophobicContact CD2-CE 4.43Å; Y125-M206 HydrophobicContact CE2-CE 4.1Å
126	N	90.4	Very high	95.3	Very high	69 Å²	69	27.6 Å²	27.6	37%	0.369	12%	0.12	S	C	.	.	S	Bend	trans	-153	-167.5	171.2	62.9	39.1	0	0	0	108.9	T128 H129	N126-T128 PolarHBondContact O-N 3.03Å; N126-T128 WeakPolarHBondContact OD1-CA 3.46Å; N126-T128 PolarHBondContact OD1-N 3.12Å; N126-T128 PolarHBondContact OD1-OG1 2.98Å; N126-T128 VanDerWaalsContact OD1-OG1 3.05Å; N126-H129 PolarHBondContact N-O 3.44Å; N126-H129 VanDerWaalsContact N-O 3.14Å; N126-H129 WeakPolarHBondContact OD1-CB 3.38Å; N126-H129 PolarHBondContact OD1-N 3.14Å; N126-H129 PolarHBondContact OD1-ND1 2.79Å
127	R	88.7	Confident	95.4	Very high	190 Å²	190	27.8 Å²	27.8	72%	0.717	12%	0.121	S	C	*	.	S	Bend	trans	-65.6	-20.9	-179	-68.8	-175.8	178	165.9	-1	114.6	Q67 Y149	Q67-R127 PolarHBondContact NE2-O 3.24Å; R127-Y149 HydrophobicContact CB-CE1 4.06Å
128	T	90.6	Very high	95.4	Very high	22 Å²	22	28 Å²	28	14%	0.135	12%	0.122	C	C	.	.	S	Bend	trans	-120.3	-10.4	-171.5	55.5	0	0	0	0	114	N126 V147 G148 Y149	N126-T128 PolarHBondContact O-N 3.03Å; N126-T128 WeakPolarHBondContact OD1-CA 3.46Å; N126-T128 PolarHBondContact OD1-N 3.12Å; N126-T128 PolarHBondContact OD1-OG1 2.98Å; N126-T128 VanDerWaalsContact OD1-OG1 3.05Å; T128-V147 VanDerWaalsContact O-CG2 3.29Å; T128-V147 WeakPolarHBondContact O-CG2 3.32Å; T128-V147 PolarHBondContact O-N 3.32Å; T128-G148 PolarHBondContact O-N 3Å; T128-Y149 HydrophobicContact CG2-CD1 3.91Å; T128-Y149 HydrophobicContact CG2-CD2 3.76Å; T128-Y149 HydrophobicContact CG2-CE1 3.62Å; T128-Y149 HydrophobicContact CG2-CE2 3.46Å; T128-Y149 VanDerWaalsContact CG2-CE2 3.46Å; T128-Y149 HydrophobicContact CG2-CG 3.97Å
129	H	93.1	Very high	95.3	Very high	30 Å²	30	31.2 Å²	31.2	14%	0.139	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.5	-176	-62.2	73.6	0	0	0	111.5	Y125 N126 I145 E159	Y125-H129 WeakPolarHBondContact CB-O 3.41Å; Y125-H129 HydrophobicContact CD1-CB 4.38Å; Y125-H129 PolarHBondContact N-O 2.96Å; N126-H129 PolarHBondContact N-O 3.44Å; N126-H129 VanDerWaalsContact N-O 3.14Å; N126-H129 WeakPolarHBondContact OD1-CB 3.38Å; N126-H129 PolarHBondContact OD1-N 3.14Å; N126-H129 PolarHBondContact OD1-ND1 2.79Å; H129-I145 CarbonylContact C-O 3.57Å; H129-I145 VanDerWaalsContact CA-O 3.25Å; H129-I145 WeakPolarHBondContact CA-O 3.45Å; H129-E159 IonicContact CD2-OE1 3.63Å; H129-E159 IonicContact CD2-OE2 3.96Å; H129-E159 IonicContact NE2-OE1 2.84Å; H129-E159 PolarHBondContact NE2-OE1 2.84Å; H129-E159 IonicContact NE2-OE2 3.26Å
130	L	95.5	Very high	95.2	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	144.9	166.1	-49.9	177	0	0	0	109.4	L62 F71 H123 H124 F144 I145 V147	L62-L130 HydrophobicContact CD2-CD2 4.12Å; F71-L130 HydrophobicContact CB-CD1 4.4Å; F71-L130 HydrophobicContact CD1-CD1 3.72Å; F71-L130 HydrophobicContact CD2-CD1 3.62Å; F71-L130 HydrophobicContact CE1-CD1 3.79Å; F71-L130 HydrophobicContact CE2-CD1 3.68Å; F71-L130 HydrophobicContact CE2-CD2 4.29Å; F71-L130 HydrophobicContact CG-CD1 3.63Å; F71-L130 HydrophobicContact CZ-CD1 3.77Å; H123-L130 CarbonylContact O-C 3.57Å; H123-L130 VanDerWaalsContact O-CA 3.29Å; H123-L130 WeakPolarHBondContact O-CA 3.31Å; H124-L130 WeakPolarHBondContact ND1-CD2 3.28Å; L130-F144 CarbonylContact O-C 3.59Å; L130-F144 VanDerWaalsContact O-CA 3.28Å; L130-F144 WeakPolarHBondContact O-CA 3.44Å; L130-I145 HydrophobicContact CB-CB 4.28Å; L130-I145 PolarHBondContact N-O 2.92Å; L130-I145 PolarHBondContact O-N 3.48Å; L130-V147 HydrophobicContact CD1-CG1 3.81Å; L130-V147 HydrophobicContact CG-CG1 3.85Å
131	L	95.9	Very high	95.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.6	163.2	172.4	64	0	0	0	108.2	V121 L122 H123 C142 F144 L182 L187 M206	V121-L131 HydrophobicContact CG1-CD2 4.5Å; L122-L131 WeakPolarHBondContact CA-O 3.26Å; H123-L131 PolarHBondContact N-O 3.36Å; H123-L131 PolarHBondContact O-N 3.17Å; L131-C142 HydrophobicContact CD1-CB 4.46Å; L131-F144 HydrophobicContact CB-CE1 4.44Å; L131-F144 HydrophobicContact CD1-CE1 4.04Å; L131-F144 HydrophobicContact CD1-CZ 4.4Å; L131-L182 HydrophobicContact CD2-CD1 4.07Å; L131-L182 HydrophobicContact CD2-CD2 4.46Å; L131-L187 HydrophobicContact CD2-CD1 4.22Å; L131-L187 HydrophobicContact CD2-CD2 4.38Å; L131-M206 HydrophobicContact CD1-CE 3.88Å; L131-M206 HydrophobicContact CD1-SD 4.13Å; L131-M206 HydrophobicContact CD2-CE 3.96Å; L131-M206 HydrophobicContact CD2-SD 3.55Å; L131-M206 VanDerWaalsContact CD2-SD 3.55Å; L131-M206 HydrophobicContact CG-SD 4.5Å
132	T	96.8	Very high	95	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140	171.4	-174	0	0	0	0	111.1	W95 V121 C142 A143 I145 L158	W95-T132 HydrophobicContact CE3-CG2 4.24Å; W95-T132 HydrophobicContact CH2-CG2 4.08Å; W95-T132 HydrophobicContact CZ3-CG2 3.67Å; V121-T132 VanDerWaalsContact O-CA 3.26Å; V121-T132 WeakPolarHBondContact O-CA 3.47Å; V121-T132 PolarHBondContact O-OG1 2.83Å; T132-C142 CarbonylContact O-C 3.46Å; T132-C142 VanDerWaalsContact O-CA 3.25Å; T132-C142 WeakPolarHBondContact O-CA 3.24Å; T132-A143 HydrophobicContact CG2-CB 4.07Å; T132-A143 WeakPolarHBondContact CG2-O 3.43Å; T132-A143 PolarHBondContact N-O 2.87Å; T132-A143 PolarHBondContact O-N 2.8Å; T132-A143 VanDerWaalsContact O-O 3.06Å; T132-I145 HydrophobicContact CG2-CD1 3.76Å; T132-I145 HydrophobicContact CG2-CG1 3.78Å; T132-L158 HydrophobicContact CG2-CD1 4.08Å
133	C	96.9	Very high	94.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.5	170.9	-50.4	0	0	0	0	110.7	R120 V121 V141 C142 C170	R120-C133 PolarHBondContact N-O 3.44Å; V121-C133 HydrophobicContact CB-CB 3.72Å; V121-C133 HydrophobicContact CG2-CB 3.71Å; V121-C133 PolarHBondContact N-O 3.38Å; V121-C133 VanDerWaalsContact N-O 3.12Å; V121-C133 PolarHBondContact O-N 3.45Å; V121-C133 VanDerWaalsContact O-N 3.14Å; C133-V141 CarbonylContact C-O 3.46Å; C133-V141 WeakPolarHBondContact CA-O 3.48Å; C133-V141 WeakPolarHBondContact CB-O 3.42Å; C133-C142 HydrophobicContact CB-CB 4.02Å; C133-C142 WeakPolarHBondContact CB-SG 3.18Å; C133-C142 WeakPolarHBondContact SG-CB 3.32Å; C133-C142 CovalentContact SG-SG 2.04Å; C133-C142 PolarHBondContact SG-SG 3.47Å; C133-C170 HydrophobicContact CB-CB 3.8Å
134	G	97.1	Very high	94.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	167.8	175.2	0	0	0	0	0	113.5	N117 Y118 G136 P140 V141	N117-G134 WeakPolarHBondContact OD1-CA 3.49Å; Y118-G134 CarbonylContact O-C 3.51Å; Y118-G134 WeakPolarHBondContact O-CA 3.36Å; G134-G136 PolarHBondContact O-N 3.29Å; G134-P140 VanDerWaalsContact O-CA 3.32Å; G134-P140 WeakPolarHBondContact O-CA 3.49Å; G134-V141 PolarHBondContact N-O 2.92Å; G134-V141 PolarHBondContact O-N 2.87Å
135	T	97.1	Very high	94.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.123	C	C	.	.			trans	-64.6	-21.7	-173.5	58.9	0	0	0	0	113.4	A116 N117 Y118 R120 A137 F138 D139 P140 F172 P174	A116-T135 PolarHBondContact O-OG1 2Å; A116-T135 VanDerWaalsContact O-OG1 3.08Å; N117-T135 PolarHBondContact OD1-N 3.43Å; Y118-T135 PolarHBondContact N-OG1 3.02Å; Y118-T135 PolarHBondContact O-N 3.07Å; R120-T135 HydrophobicContact CG-CG2 4.09Å; T135-A137 VanDerWaalsContact C-N 3.29Å; T135-A137 PolarHBondContact O-N 3.24Å; T135-F138 PolarHBondContact O-N 2.89Å; T135-F138 VanDerWaalsContact O-N 3.12Å; T135-D139 CarbonylContact O-C 3.53Å; T135-D139 PolarHBondContact O-N 3.4Å; T135-P140 WeakPolarHBondContact O-CA 3.47Å; T135-F172 WeakPolarHBondContact CB-O 3.3Å; T135-P174 HydrophobicContact CG2-CB 4.22Å
136	G	95.8	Very high	94.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	38.2	175.3	0	0	0	0	0	114.8	S97 N117 G134 D139	S97-G136 WeakPolarHBondContact OG-CA 3.31Å; N117-G136 PolarHBondContact OD1-N 2.86Å; G134-G136 PolarHBondContact O-N 3.29Å; G136-D139 PolarHBondContact O-N 2.75Å
137	A	96.5	Very high	94.8	Very high	5 Å²	5	24.4 Å²	24.4	4%	0.041	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	56.5	-172.2	0	0	0	0	0	112.3	S97 M102 C105 C115 A116 T135 D139	S97-A137 PolarHBondContact OG-N 2.94Å; S97-A137 VanDerWaalsContact OG-N 3.15Å; M102-A137 HydrophobicContact CG-CB 4.26Å; C105-A137 HydrophobicContact CB-CB 4.22Å; C115-A137 HydrophobicContact CB-CB 4.44Å; A116-A137 WeakPolarHBondContact O-CA 3.34Å; A116-A137 PolarHBondContact O-N 3.16Å; T135-A137 VanDerWaalsContact C-N 3.29Å; T135-A137 PolarHBondContact O-N 3.24Å; A137-D139 PolarHBondContact O-N 3.02Å
138	F	96.1	Very high	94.6	Very high	6 Å²	6	15.4 Å²	15.4	3%	0.026	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	32.2	-174.3	-64.9	-106.4	0	0	0	113.4	C105 K110 E114 T135 F172 D173 Y195	C105-F138 WeakPolarHBondContact SG-CD2 3.46Å; K110-F138 HydrophobicContact CB-CE2 4.23Å; K110-F138 HydrophobicContact CD-CD1 4.49Å; K110-F138 HydrophobicContact CD-CE1 3.75Å; K110-F138 HydrophobicContact CD-CE2 3.85Å; K110-F138 HydrophobicContact CD-CZ 3.38Å; K110-F138 HydrophobicContact CG-CD1 4.46Å; K110-F138 HydrophobicContact CG-CD2 4.21Å; K110-F138 HydrophobicContact CG-CE1 4.16Å; K110-F138 HydrophobicContact CG-CE2 3.86Å; K110-F138 HydrophobicContact CG-CZ 3.86Å; E114-F138 HydrophobicContact CB-CE2 3.84Å; E114-F138 HydrophobicContact CB-CZ 4.3Å; T135-F138 PolarHBondContact O-N 2.89Å; T135-F138 VanDerWaalsContact O-N 3.12Å; F138-F172 HydrophobicContact CB-CD1 4.46Å; F138-F172 HydrophobicContact CD1-CB 4.07Å; F138-F172 WeakPolarHBondContact O-CD1 3.29Å; F138-F172 WeakPolarHBondContact O-CE1 3.3Å; F138-D173 HydrophobicContact CD1-CB 4.45Å; F138-D173 HydrophobicContact CE1-CB 3.57Å; F138-D173 HydrophobicContact CZ-CB 4.06Å; F138-Y195 HydrophobicContact CB-CD2 3.72Å; F138-Y195 HydrophobicContact CB-CE2 3.4Å; F138-Y195 AromaticContact CD1-CD2 3.92Å; F138-Y195 HydrophobicContact CD1-CD2 3.92Å; F138-Y195 AromaticContact CD1-CE2 3.74Å; F138-Y195 HydrophobicContact CD1-CE2 3.74Å; F138-Y195 HydrophobicContact CG-CD2 4.21Å; F138-Y195 AromaticContact CG-CE2 3.76Å; F138-Y195 HydrophobicContact CG-CE2 3.76Å
139	D	95.1	Very high	94.2	Very high	81 Å²	81	19.3 Å²	19.3	43%	0.433	9%	0.089	S	C	.	.	S	Bend	trans	-141.6	82.7	165.4	-177.5	35.8	0	0	0	108.9	K101 T135 G136 A137 V141	K101-D139 WeakPolarHBondContact CE-OD2 3.48Å; K101-D139 IonicContact NZ-OD2 3.74Å; K101-D139 PolarHBondContact NZ-OD2 3.22Å; T135-D139 CarbonylContact O-C 3.53Å; T135-D139 PolarHBondContact O-N 3.4Å; G136-D139 PolarHBondContact O-N 2.75Å; A137-D139 PolarHBondContact O-N 3.02Å; D139-V141 PolarHBondContact O-N 3.31Å
140	P	95.9	Very high	93.3	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.019	10%	0.1	C	C	.	.			trans	-56.4	136.9	-166.6	-29.1	36.1	0	0	0	113.9	G134 T135 G166 C170 P171 F172	G134-P140 VanDerWaalsContact O-CA 3.32Å; G134-P140 WeakPolarHBondContact O-CA 3.49Å; T135-P140 WeakPolarHBondContact O-CA 3.47Å; P140-G166 VanDerWaalsContact O-CA 3.23Å; P140-G166 WeakPolarHBondContact O-CA 3.33Å; P140-G166 PolarHBondContact O-N 2.99Å; P140-C170 HydrophobicContact CB-CB 4.09Å; P140-P171 WeakPolarHBondContact CG-O 3.18Å; P140-F172 VanDerWaalsContact CD-CE1 3.42Å; P140-F172 HydrophobicContact CG-CB 4.5Å; P140-F172 HydrophobicContact CG-CD1 4.14Å; P140-F172 HydrophobicContact CG-CD2 3.88Å; P140-F172 HydrophobicContact CG-CE1 4.25Å; P140-F172 HydrophobicContact CG-CE2 4Å; P140-F172 HydrophobicContact CG-CG 3.93Å; P140-F172 HydrophobicContact CG-CZ 4.18Å
141	V	95.4	Very high	91.9	Very high	14 Å²	14	29.3 Å²	29.3	9%	0.085	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.6	-177.5	-70.9	0	0	0	0	111.3	W95 C133 G134 D139	W95-V141 HydrophobicContact CH2-CG2 4.07Å; W95-V141 HydrophobicContact CZ2-CB 4.3Å; W95-V141 HydrophobicContact CZ2-CG2 3.7Å; C133-V141 CarbonylContact C-O 3.46Å; C133-V141 WeakPolarHBondContact CA-O 3.48Å; C133-V141 WeakPolarHBondContact CB-O 3.42Å; G134-V141 PolarHBondContact N-O 2.92Å; G134-V141 PolarHBondContact O-N 2.87Å; D139-V141 PolarHBondContact O-N 3.31Å
142	C	95.5	Very high	90.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153.6	173.7	-63.9	0	0	0	0	111.3	L131 T132 C133 E164 R169	L131-C142 HydrophobicContact CD1-CB 4.46Å; T132-C142 CarbonylContact O-C 3.46Å; T132-C142 VanDerWaalsContact O-CA 3.25Å; T132-C142 WeakPolarHBondContact O-CA 3.24Å; C133-C142 HydrophobicContact CB-CB 4.02Å; C133-C142 WeakPolarHBondContact CB-SG 3.18Å; C133-C142 WeakPolarHBondContact SG-CB 3.32Å; C133-C142 CovalentContact SG-SG 2.04Å; C133-C142 PolarHBondContact SG-SG 3.47Å; C142-E164 HydrophobicContact CB-CB 4.22Å; C142-E164 PolarHBondContact N-O 2.91Å; C142-E164 PolarHBondContact O-N 2.56Å; C142-R169 VanDerWaalsContact SG-CD 3.59Å
143	A	94.8	Very high	89.3	Confident	9 Å²	9	41 Å²	41	7%	0.074	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	171.7	176.6	0	0	0	0	0	110.5	W95 T132 L158	W95-A143 HydrophobicContact CH2-CB 3.96Å; W95-A143 HydrophobicContact CZ2-CB 3.7Å; T132-A143 HydrophobicContact CG2-CB 4.07Å; T132-A143 WeakPolarHBondContact CG2-O 3.43Å; T132-A143 PolarHBondContact N-O 2.87Å; T132-A143 PolarHBondContact O-N 2.8Å; T132-A143 VanDerWaalsContact O-O 3.06Å; A143-L158 HydrophobicContact CB-CD1 3.66Å; A143-L158 HydrophobicContact CB-CG 4.36Å
144	F	94.2	Very high	88	Confident	34 Å²	34	43.9 Å²	43.9	15%	0.149	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.9	173.5	-64.3	-80.4	0	0	0	110.3	Y125 L130 L131 E159 M206	Y125-F144 AromaticContact CD1-CD1 3.96Å; Y125-F144 HydrophobicContact CD1-CD1 3.96Å; Y125-F144 AromaticContact CD1-CE1 3.62Å; Y125-F144 HydrophobicContact CD1-CE1 3.62Å; Y125-F144 AromaticContact CD2-CE1 3.67Å; Y125-F144 HydrophobicContact CD2-CE1 3.67Å; Y125-F144 HydrophobicContact CD2-CZ 4.46Å; Y125-F144 HydrophobicContact CE1-CD1 4.45Å; Y125-F144 AromaticContact CE1-CE1 3.83Å; Y125-F144 HydrophobicContact CE1-CE1 3.83Å; Y125-F144 HydrophobicContact CE1-CZ 4.32Å; Y125-F144 AromaticContact CE2-CE1 3.89Å; Y125-F144 HydrophobicContact CE2-CE1 3.89Å; Y125-F144 HydrophobicContact CE2-CZ 4.26Å; Y125-F144 HydrophobicContact CG-CD1 4.02Å; Y125-F144 AromaticContact CG-CE1 3.53Å; Y125-F144 HydrophobicContact CG-CE1 3.53Å; Y125-F144 AromaticContact CZ-CE1 3.96Å; L130-F144 CarbonylContact O-C 3.59Å; L130-F144 VanDerWaalsContact O-CA 3.28Å; L130-F144 WeakPolarHBondContact O-CA 3.44Å; L131-F144 HydrophobicContact CB-CE1 4.44Å; L131-F144 HydrophobicContact CD1-CE1 4.04Å; L131-F144 HydrophobicContact CD1-CZ 4.4Å; F144-E159 PolarHBondContact O-N 2.97Å; F144-M206 HydrophobicContact CE1-CE 4.32Å; F144-M206 HydrophobicContact CZ-CE 3.96Å
145	I	94.8	Very high	87.4	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.6	172.9	-61.8	168.6	0	0	0	107.8	V78 I93 H129 L130 T132 V147 F156 H157 L158	V78-I145 HydrophobicContact CB-CD1 4.3Å; V78-I145 HydrophobicContact CG1-CD1 3.98Å; V78-I145 HydrophobicContact CG2-CD1 4.24Å; I93-I145 HydrophobicContact CD1-CB 4.44Å; I93-I145 HydrophobicContact CD1-CD1 4.1Å; I93-I145 HydrophobicContact CD1-CG1 4.01Å; I93-I145 HydrophobicContact CD1-CG2 3.62Å; H129-I145 CarbonylContact C-O 3.57Å; H129-I145 VanDerWaalsContact CA-O 3.25Å; H129-I145 WeakPolarHBondContact CA-O 3.45Å; L130-I145 HydrophobicContact CB-CB 4.28Å; L130-I145 PolarHBondContact N-O 2.92Å; L130-I145 PolarHBondContact O-N 3.48Å; T132-I145 HydrophobicContact CG2-CD1 3.76Å; T132-I145 HydrophobicContact CG2-CG1 3.78Å; I145-V147 HydrophobicContact CG2-CG1 4.22Å; I145-F156 HydrophobicContact CG2-CD2 3.74Å; I145-F156 HydrophobicContact CG2-CE2 3.69Å; I145-H157 CarbonylContact C-O 3.41Å; I145-H157 WeakPolarHBondContact CA-O 3.48Å; I145-L158 HydrophobicContact CG1-CD1 3.79Å
146	R	93.1	Very high	87.1	Confident	110 Å²	110	48.5 Å²	48.5	42%	0.415	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	119.8	174.1	-173.2	173	176.8	-168	-1.4	109.7	L155 F156 H157 E159	R146-L155 HydrophobicContact CG-CD1 4.3Å; R146-L155 CarbonylContact O-C 3.57Å; R146-F156 WeakPolarHBondContact O-CA 3.47Å; R146-H157 PolarHBondContact N-O 3.08Å; R146-H157 PolarHBondContact O-N 2.86Å; R146-E159 HydrophobicContact CB-CG 4.1Å; R146-E159 WeakPolarHBondContact CD-OE1 3.47Å
147	V	92.1	Very high	86.9	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.03	27%	0.267	C	S	.	.			trans	-106	-18.1	177.9	-63.4	0	0	0	0	113.4	F71 T128 L130 I145 L155 F156	F71-V147 HydrophobicContact CE1-CG1 3.89Å; F71-V147 HydrophobicContact CZ-CB 4.47Å; F71-V147 HydrophobicContact CZ-CG1 3.72Å; T128-V147 VanDerWaalsContact O-CG2 3.29Å; T128-V147 WeakPolarHBondContact O-CG2 3.32Å; T128-V147 PolarHBondContact O-N 3.32Å; L130-V147 HydrophobicContact CD1-CG1 3.81Å; L130-V147 HydrophobicContact CG-CG1 3.85Å; I145-V147 HydrophobicContact CG2-CG1 4.22Å; V147-L155 VanDerWaalsContact CA-O 3.29Å; V147-L155 WeakPolarHBondContact CA-O 3.49Å; V147-L155 PolarHBondContact O-N 3.46Å; V147-F156 HydrophobicContact CG1-CD2 4.31Å
148	G	84.6	Confident	86.7	Confident	2 Å²	2	55.3 Å²	55.3	2%	0.021	27%	0.272	C	S	.	.			trans	75.3	-171.6	-178.1	0	0	0	0	0	112.9	Q67 T128	Q67-G148 PolarHBondContact NE2-O 3.24Å; T128-G148 PolarHBondContact O-N 3Å
149	Y	82.3	Confident	86.3	Confident	104 Å²	104	59 Å²	59	41%	0.408	29%	0.289	S	S	.	.			trans	-91.4	150.7	172.6	-70.4	-76.3	0	0	0	110.8	R127 T128 L151 E152	R127-Y149 HydrophobicContact CB-CE1 4.06Å; T128-Y149 HydrophobicContact CG2-CD1 3.91Å; T128-Y149 HydrophobicContact CG2-CD2 3.76Å; T128-Y149 HydrophobicContact CG2-CE1 3.62Å; T128-Y149 HydrophobicContact CG2-CE2 3.46Å; T128-Y149 VanDerWaalsContact CG2-CE2 3.46Å; T128-Y149 HydrophobicContact CG2-CG 3.97Å; Y149-L151 PolarHBondContact O-N 3.17Å; Y149-E152 PolarHBondContact O-N 3.28Å
150	H	73	Confident	85.1	Confident	79 Å²	79	59.4 Å²	59.4	37%	0.366	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.8	-179.6	174.5	-84.9	0	0	0	114.4	Y66	Y66-H150 HydrophobicContact CE1-CB 4.1Å; Y66-H150 HydrophobicContact CE2-CB 4.43Å; Y66-H150 PolarHBondContact O-CD2 3.15Å
151	L	67	Low	83	Confident	161 Å²	161	65.3 Å²	65.3	84%	0.843	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.3	-178.9	-65.4	172.2	0	0	0	113.8	Y149	Y149-L151 PolarHBondContact O-N 3.17Å
152	E	72.8	Confident	81.1	Confident	103 Å²	103	75.5 Å²	75.5	48%	0.481	37%	0.374	S	S	.	.	S	Bend	trans	-96.3	166.9	178	-65.3	176.6	173.6	0	0	109.9	Y149 P154	Y149-E152 PolarHBondContact O-N 3.28Å; E152-P154 WeakPolarHBondContact O-CD 3.24Å
153	D	66.3	Low	79.8	Confident	144 Å²	144	78.9 Å²	78.9	77%	0.77	40%	0.397	S	S	*	.			trans	-56	125.1	172.1	-77.8	-36.8	0	0	0	109.4	L155	D153-L155 PolarHBondContact O-N 2.97Å
154	P	68.7	Low	79.3	Confident	60 Å²	60	82.1 Å²	82.1	39%	0.39	41%	0.411	S	S	.	.			trans	-60.8	115.6	-171.7	15.1	-25.4	0	0	0	109.6	K91 E152	K91-P154 PolarHBondContact NZ-O 3.38Å; E152-P154 WeakPolarHBondContact O-CD 3.24Å
155	L	83.8	Confident	79	Confident	70 Å²	70	91.3 Å²	91.3	37%	0.366	45%	0.445	S	S	.	.			trans	-85.1	149.2	173.7	-66.3	173.1	0	0	0	108.5	R146 V147 D153	R146-L155 HydrophobicContact CG-CD1 4.3Å; R146-L155 CarbonylContact O-C 3.57Å; V147-L155 VanDerWaalsContact CA-O 3.29Å; V147-L155 WeakPolarHBondContact CA-O 3.49Å; V147-L155 PolarHBondContact O-N 3.46Å; D153-L155 PolarHBondContact O-N 2.97Å
156	F	92.1	Very high	78.9	Confident	26 Å²	26	91.3 Å²	91.3	11%	0.114	45%	0.445	C	S	.	.			trans	-152	79.4	170.3	-166	-120.5	0	0	0	107.7	F71 V78 K91 I93 I145 R146 V147	F71-F156 HydrophobicContact CD1-CD2 4.41Å; F71-F156 AromaticContact CD1-CE2 3.62Å; F71-F156 HydrophobicContact CD1-CE2 3.62Å; F71-F156 HydrophobicContact CD1-CZ 4.26Å; F71-F156 AromaticContact CE1-CD2 3.96Å; F71-F156 HydrophobicContact CE1-CD2 3.96Å; F71-F156 AromaticContact CE1-CE2 3.62Å; F71-F156 HydrophobicContact CE1-CE2 3.62Å; V78-F156 HydrophobicContact CB-CZ 4.3Å; V78-F156 HydrophobicContact CG1-CZ 3.93Å; V78-F156 WeakPolarHBondContact O-CE1 3.04Å; K91-F156 HydrophobicContact CB-CB 4.14Å; K91-F156 HydrophobicContact CB-CD1 3.66Å; K91-F156 HydrophobicContact CB-CE1 4.43Å; K91-F156 HydrophobicContact CB-CG 4.17Å; K91-F156 HydrophobicContact CD-CB 3.88Å; I93-F156 HydrophobicContact CB-CE1 4.17Å; I93-F156 HydrophobicContact CD1-CD1 3.73Å; I93-F156 HydrophobicContact CD1-CD2 4.15Å; I93-F156 HydrophobicContact CD1-CE1 3.62Å; I93-F156 HydrophobicContact CD1-CE2 4.03Å; I93-F156 HydrophobicContact CD1-CG 4.01Å; I93-F156 HydrophobicContact CD1-CZ 3.77Å; I93-F156 HydrophobicContact CG1-CD1 3.66Å; I93-F156 HydrophobicContact CG1-CE1 3.57Å; I93-F156 HydrophobicContact CG1-CG 4.38Å; I93-F156 HydrophobicContact CG1-CZ 4.2Å; I145-F156 HydrophobicContact CG2-CD2 3.74Å; I145-F156 HydrophobicContact CG2-CE2 3.69Å; R146-F156 WeakPolarHBondContact O-CA 3.47Å; V147-F156 HydrophobicContact CG1-CD2 4.31Å
157	H	91.6	Very high	78.9	Confident	122 Å²	122	93.5 Å²	93.5	57%	0.565	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.3	-171.7	-175.9	67.7	0	0	0	110.5	I145 R146 E159	I145-H157 CarbonylContact C-O 3.41Å; I145-H157 WeakPolarHBondContact CA-O 3.48Å; R146-H157 PolarHBondContact N-O 3.08Å; R146-H157 PolarHBondContact O-N 2.86Å; H157-E159 PolarHBondContact O-N 2.99Å
158	L	91.6	Very high	78.9	Confident	28 Å²	28	93.3 Å²	93.3	15%	0.147	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	116.6	173	-169.4	71.4	0	0	0	109	I93 W95 T132 A143 I145 S160	I93-L158 HydrophobicContact CD1-CB 4.36Å; I93-L158 HydrophobicContact CG2-CB 3.87Å; I93-L158 HydrophobicContact CG2-CD2 4.28Å; I93-L158 HydrophobicContact CG2-CG 4.47Å; W95-L158 HydrophobicContact CB-CD2 4.25Å; W95-L158 HydrophobicContact CD2-CD2 4.19Å; W95-L158 HydrophobicContact CG-CD2 3.73Å; T132-L158 HydrophobicContact CG2-CD1 4.08Å; A143-L158 HydrophobicContact CB-CD1 3.66Å; A143-L158 HydrophobicContact CB-CG 4.36Å; I145-L158 HydrophobicContact CG1-CD1 3.79Å; L158-S160 PolarHBondContact O-N 3.32Å
159	E	87.7	Confident	79.4	Confident	82 Å²	82	95.1 Å²	95.1	38%	0.383	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	123.4	175.2	-63.3	-162.5	151.3	0	0	109.7	H129 F144 R146 H157	H129-E159 IonicContact CD2-OE1 3.63Å; H129-E159 IonicContact CD2-OE2 3.96Å; H129-E159 IonicContact NE2-OE1 2.84Å; H129-E159 PolarHBondContact NE2-OE1 2.84Å; H129-E159 IonicContact NE2-OE2 3.26Å; F144-E159 PolarHBondContact O-N 2.97Å; R146-E159 HydrophobicContact CB-CG 4.1Å; R146-E159 WeakPolarHBondContact CD-OE1 3.47Å; H157-E159 PolarHBondContact O-N 2.99Å
160	S	69.6	Low	80.1	Confident	90 Å²	90	90.1 Å²	90.1	63%	0.629	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.6	133.8	175.1	-175.2	0	0	0	0	111.8	L158	L158-S160 PolarHBondContact O-N 3.32Å
161	P	51.9	Low	81.2	Confident	128 Å²	128	86.4 Å²	86.4	83%	0.831	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)		-132.5	-3.9	110.2	14.8	5.4	0	0	0	115.8
162	R	55.5	Low	82.6	Confident	227 Å²	227	79.6 Å²	79.6	86%	0.857	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.4	105.5	176.3	-65.7	-174.4	-176.2	-175.7	1	109.6	E164	R162-E164 PolarHBondContact O-N 3.26Å
163	S	67.7	Low	83.7	Confident	72 Å²	72	75.2 Å²	75.2	50%	0.503	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	137	168.9	45.2	0	0	0	0	110.4
164	E	85.2	Confident	85.1	Confident	77 Å²	77	68.8 Å²	68.8	36%	0.36	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	149.3	175.1	-65.3	-166.6	174.9	0	0	109.8	C142 R162 G166 R169	C142-E164 HydrophobicContact CB-CB 4.22Å; C142-E164 PolarHBondContact N-O 2.91Å; C142-E164 PolarHBondContact O-N 2.56Å; R162-E164 PolarHBondContact O-N 3.26Å; E164-G166 PolarHBondContact O-N 3.5Å; E164-R169 IonicContact OE2-CZ 2.64Å; E164-R169 IonicContact OE2-NH1 3.27Å; E164-R169 PolarHBondContact OE2-NH1 2.6Å; E164-R169 IonicContact OE2-NH2 2.79Å
165	R	88.6	Confident	86.3	Confident	228 Å²	228	70.6 Å²	70.6	86%	0.86	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	124.4	172.3	-73.4	-179.3	178.1	174.8	-1.1	109.4
166	G	91.8	Very high	86.8	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.332	C	S	.	.			trans	-93.2	0.4	-179.4	0	0	0	0	0	114.7	P140 E164 G168 R169 C170	P140-G166 VanDerWaalsContact O-CA 3.23Å; P140-G166 WeakPolarHBondContact O-CA 3.33Å; P140-G166 PolarHBondContact O-N 2.99Å; E164-G166 PolarHBondContact O-N 3.5Å; G166-G168 PolarHBondContact O-N 3.02Å; G166-R169 WeakPolarHBondContact O-CA 2.94Å; G166-R169 WeakPolarHBondContact O-CB 3.17Å; G166-R169 PolarHBondContact O-N 3.2Å; G166-C170 PolarHBondContact O-N 3.06Å
167	R	92.9	Very high	86.9	Confident	156 Å²	156	67.9 Å²	67.9	59%	0.589	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	128.1	177.4	-172.7	172.9	-173.7	153.3	2.4	110.6	R169 F172	R167-R169 PolarHBondContact O-N 3.11Å; R167-F172 HydrophobicContact CG-CE2 4.26Å; R167-F172 HydrophobicContact CG-CZ 4.37Å
168	G	92.4	Very high	87.2	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.01	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	4.4	-174.5	0	0	0	0	0	114.3	G166	G166-G168 PolarHBondContact O-N 3.02Å
169	R	95.4	Very high	87.5	Confident	39 Å²	39	63.8 Å²	63.8	15%	0.147	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-32.7	176.8	-55.4	-176.2	-172.8	177.9	5.4	112.8	V121 C142 E164 G166 R167 F178 L187 S205	V121-R169 WeakPolarHBondContact CG2-O 3.34Å; C142-R169 VanDerWaalsContact SG-CD 3.59Å; E164-R169 IonicContact OE2-CZ 2.64Å; E164-R169 IonicContact OE2-NH1 3.27Å; E164-R169 PolarHBondContact OE2-NH1 2.6Å; E164-R169 IonicContact OE2-NH2 2.79Å; G166-R169 WeakPolarHBondContact O-CA 2.94Å; G166-R169 WeakPolarHBondContact O-CB 3.17Å; G166-R169 PolarHBondContact O-N 3.2Å; R167-R169 PolarHBondContact O-N 3.11Å; R169-F178 WeakPolarHBondContact O-CE2 3.34Å; R169-F178 WeakPolarHBondContact O-CZ 3.15Å; R169-L187 HydrophobicContact CB-CD2 3.69Å; R169-L187 HydrophobicContact CG-CD2 4.04Å; R169-S205 WeakPolarHBondContact CG-OG 3.37Å
170	C	96.5	Very high	87.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-138.7	144.8	179.4	176.6	0	0	0	0	108.9	V121 C133 P140 G166	V121-C170 HydrophobicContact CG2-CB 4.28Å; C133-C170 HydrophobicContact CB-CB 3.8Å; P140-C170 HydrophobicContact CB-CB 4.09Å; G166-C170 PolarHBondContact O-N 3.06Å
171	P	97.2	Very high	89.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.279	C	S	.	.			trans	-67.7	159.6	175.5	30.8	-38.2	0	0	0	111.2	R120 P140 F178	R120-P171 HydrophobicContact CG-CG 4.14Å; P140-P171 WeakPolarHBondContact CG-O 3.18Å; P171-F178 VanDerWaalsContact CD-CD2 3.47Å; P171-F178 HydrophobicContact CG-CB 4.06Å; P171-F178 HydrophobicContact CG-CD2 4.27Å; P171-F178 HydrophobicContact CG-CG 4.2Å
172	F	96.3	Very high	91.4	Very high	18 Å²	18	52.6 Å²	52.6	8%	0.079	25%	0.247	C	C	.	.	S	Bend	trans	-74.8	-47.8	172.2	-76.8	-103.7	0	0	0	111.4	T135 F138 P140 R167 S193 Y195	T135-F172 WeakPolarHBondContact CB-O 3.3Å; F138-F172 HydrophobicContact CB-CD1 4.46Å; F138-F172 HydrophobicContact CD1-CB 4.07Å; F138-F172 WeakPolarHBondContact O-CD1 3.29Å; F138-F172 WeakPolarHBondContact O-CE1 3.3Å; P140-F172 VanDerWaalsContact CD-CE1 3.42Å; P140-F172 HydrophobicContact CG-CB 4.5Å; P140-F172 HydrophobicContact CG-CD1 4.14Å; P140-F172 HydrophobicContact CG-CD2 3.88Å; P140-F172 HydrophobicContact CG-CE1 4.25Å; P140-F172 HydrophobicContact CG-CE2 4Å; P140-F172 HydrophobicContact CG-CG 3.93Å; P140-F172 HydrophobicContact CG-CZ 4.18Å; R167-F172 HydrophobicContact CG-CE2 4.26Å; R167-F172 HydrophobicContact CG-CZ 4.37Å; F172-S193 WeakPolarHBondContact CE2-O 3.5Å; F172-Y195 HydrophobicContact CD1-CD2 4.41Å
173	D	95.7	Very high	93.3	Very high	11 Å²	11	43 Å²	43	6%	0.059	21%	0.212	C	C	.	.	S	Bend	trans	-92	129.8	-178	-169.2	-53	0	0	0	110.3	K110 F138 S175 S176	K110-D173 IonicContact NZ-OD2 3.68Å; K110-D173 PolarHBondContact NZ-OD2 2.71Å; F138-D173 HydrophobicContact CD1-CB 4.45Å; F138-D173 HydrophobicContact CE1-CB 3.57Å; F138-D173 HydrophobicContact CZ-CB 4.06Å; D173-S175 PolarHBondContact O-N 3.2Å; D173-S175 WeakPolarHBondContact OD1-CB 3.31Å; D173-S175 PolarHBondContact OD1-N 3.32Å; D173-S175 PolarHBondContact OD1-OG 3.11Å; D173-S176 WeakPolarHBondContact CB-OG 3.27Å; D173-S176 WeakPolarHBondContact O-CB 3.37Å; D173-S176 PolarHBondContact O-N 3.46Å
174	P	94.7	Very high	94.4	Very high	10 Å²	10	43.8 Å²	43.8	7%	0.065	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.2	-179.4	27.3	-35.5	0	0	0	113.8	Y118 R120 T135	Y118-P174 HydrophobicContact CD1-CB 4.15Å; Y118-P174 HydrophobicContact CD2-CB 3.63Å; Y118-P174 HydrophobicContact CD2-CG 3.79Å; Y118-P174 HydrophobicContact CE2-CB 4.13Å; Y118-P174 HydrophobicContact CE2-CG 3.89Å; Y118-P174 HydrophobicContact CG-CB 3.6Å; Y118-P174 HydrophobicContact CG-CG 4.27Å; R120-P174 PolarHBondContact NH1-O 2.92Å; R120-P174 PolarHBondContact NH2-O 3.45Å; T135-P174 HydrophobicContact CG2-CB 4.22Å
175	S	93.7	Very high	94.7	Very high	98 Å²	98	40.8 Å²	40.8	69%	0.685	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-12.6	178.6	72.3	0	0	0	0	113.1	D173	D173-S175 PolarHBondContact O-N 3.2Å; D173-S175 WeakPolarHBondContact OD1-CB 3.31Å; D173-S175 PolarHBondContact OD1-N 3.32Å; D173-S175 PolarHBondContact OD1-OG 3.11Å
176	S	95.1	Very high	94.9	Very high	12 Å²	12	31 Å²	31	8%	0.084	19%	0.185	C	C	.	.	S	Bend	trans	-69.3	142.5	-177.1	-75.6	0	0	0	0	112.7	R120 D173 F178 S197	R120-S176 PolarHBondContact NH2-O 3.38Å; R120-S176 VanDerWaalsContact NH2-O 3.07Å; D173-S176 WeakPolarHBondContact CB-OG 3.27Å; D173-S176 WeakPolarHBondContact O-CB 3.37Å; D173-S176 PolarHBondContact O-N 3.46Å; S176-F178 PolarHBondContact O-N 2.83Å; S176-S197 PolarHBondContact OG-OG 2.84Å
177	S	94.9	Very high	95.2	Very high	26 Å²	26	31 Å²	31	18%	0.182	19%	0.185	C	C	.	.			trans	-59.4	133.2	175.7	179.4	0	0	0	0	110.9	K226 F227	S177-K226 WeakPolarHBondContact OG-CA 3.22Å; S177-F227 PolarHBondContact OG-N 3.48Å; S177-F227 PolarHBondContact OG-O 3.07Å
178	F	96.1	Very high	95.4	Very high	26 Å²	26	23.6 Å²	23.6	11%	0.114	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	138.9	-172.1	173.7	-104.7	0	0	0	110.4	R120 V121 R169 P171 S176 S180 A189 G190 L191	R120-F178 HydrophobicContact CB-CD1 4.26Å; R120-F178 HydrophobicContact CB-CE1 4.37Å; R120-F178 WeakPolarHBondContact O-CE1 3.12Å; V121-F178 HydrophobicContact CG2-CE1 3.75Å; V121-F178 HydrophobicContact CG2-CE2 4.43Å; V121-F178 HydrophobicContact CG2-CZ 3.44Å; V121-F178 VanDerWaalsContact CG2-CZ 3.44Å; R169-F178 WeakPolarHBondContact O-CE2 3.34Å; R169-F178 WeakPolarHBondContact O-CZ 3.15Å; P171-F178 VanDerWaalsContact CD-CD2 3.47Å; P171-F178 HydrophobicContact CG-CB 4.06Å; P171-F178 HydrophobicContact CG-CD2 4.27Å; P171-F178 HydrophobicContact CG-CG 4.2Å; S176-F178 PolarHBondContact O-N 2.83Å; F178-S180 WeakPolarHBondContact CZ-OG 3.47Å; F178-A189 HydrophobicContact CE2-CB 4.15Å; F178-G190 WeakPolarHBondContact CA-O 3.4Å; F178-L191 HydrophobicContact CD2-CB 3.73Å; F178-L191 HydrophobicContact CD2-CD2 4.24Å; F178-L191 HydrophobicContact CE2-CB 4.26Å; F178-L191 HydrophobicContact CE2-CD2 3.95Å
179	I	97.9	Very high	95.7	Very high	38 Å²	38	23.5 Å²	23.5	20%	0.195	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	151.6	164.3	-161.5	60.4	0	0	0	110.1	A189 G190 F227 F246	I179-A189 CarbonylContact O-C 3.5Å; I179-A189 VanDerWaalsContact O-CA 3.28Å; I179-A189 WeakPolarHBondContact O-CA 3.18Å; I179-G190 PolarHBondContact N-O 3.44Å; I179-G190 PolarHBondContact O-N 3.12Å; I179-F227 HydrophobicContact CB-CB 4.06Å; I179-F227 HydrophobicContact CG2-CB 3.67Å; I179-F227 HydrophobicContact CG2-CD1 4.35Å; I179-F227 HydrophobicContact CG2-CG 4.22Å; I179-F246 HydrophobicContact CG2-CD1 4.02Å; I179-F246 HydrophobicContact CG2-CE1 4.14Å
180	S	97.8	Very high	95.8	Very high	13 Å²	13	21.7 Å²	21.7	9%	0.091	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	156.1	172.9	61.3	0	0	0	0	113.7	H123 F178 F188 S230	H123-S180 PolarHBondContact CE1-O 3.31Å; H123-S180 VanDerWaalsContact CE1-O 3.27Å; H123-S180 PolarHBondContact NE2-O 3.41Å; H123-S180 PolarHBondContact NE2-OG 2.89Å; F178-S180 WeakPolarHBondContact CZ-OG 3.47Å; S180-F188 CarbonylContact C-O 3.56Å; S180-F188 WeakPolarHBondContact CA-O 3.37Å; S180-F188 WeakPolarHBondContact CB-O 2.98Å; S180-S230 VanDerWaalsContact C-OG 3.24Å; S180-S230 PolarHBondContact O-OG 2.8Å
181	T	97.3	Very high	95.9	Very high	25 Å²	25	21.7 Å²	21.7	15%	0.153	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140.2	170.4	-167.1	0	0	0	0	109.6	I183 F188 S230 V244	T181-I183 HydrophobicContact CG2-CD1 3.98Å; T181-I183 HydrophobicContact CG2-CG1 4.25Å; T181-F188 HydrophobicContact CG2-CB 4Å; T181-F188 PolarHBondContact N-O 3.31Å; T181-F188 PolarHBondContact O-N 2.92Å; T181-S230 PolarHBondContact N-OG 2.84Å; T181-V244 HydrophobicContact CG2-CG1 3.89Å
182	L	96.8	Very high	95.9	Very high	28 Å²	28	23 Å²	23	15%	0.147	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.2	-179.9	-172.4	74.7	0	0	0	110.2	H123 H124 Y125 L131 L187	H123-L182 HydrophobicContact CB-CB 3.77Å; H123-L182 HydrophobicContact CB-CD2 3.85Å; H123-L182 HydrophobicContact CB-CG 4.43Å; H124-L182 VanDerWaalsContact O-CD2 3.3Å; H124-L182 WeakPolarHBondContact O-CD2 3.24Å; Y125-L182 HydrophobicContact CD2-CD2 4.17Å; L131-L182 HydrophobicContact CD2-CD1 4.07Å; L131-L182 HydrophobicContact CD2-CD2 4.46Å; L182-L187 HydrophobicContact CB-CD1 4.28Å; L182-L187 HydrophobicContact CD1-CB 3.95Å; L182-L187 HydrophobicContact CD1-CD1 4.09Å
183	I	94.7	Very high	95.7	Very high	26 Å²	26	22.3 Å²	22.3	13%	0.133	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	115.1	-175.6	-54.6	163.4	0	0	0	108.4	T181 G185 E186 F188 M232 V244 V271	T181-I183 HydrophobicContact CG2-CD1 3.98Å; T181-I183 HydrophobicContact CG2-CG1 4.25Å; I183-G185 PolarHBondContact O-N 3.07Å; I183-G185 VanDerWaalsContact O-N 3.11Å; I183-E186 PolarHBondContact N-O 2.61Å; I183-E186 WeakPolarHBondContact O-CB 3.45Å; I183-E186 PolarHBondContact O-N 3.16Å; I183-F188 HydrophobicContact CB-CD2 4.35Å; I183-F188 HydrophobicContact CB-CE2 4.12Å; I183-F188 HydrophobicContact CD1-CD2 3.75Å; I183-F188 HydrophobicContact CD1-CE2 3.86Å; I183-F188 HydrophobicContact CD1-CG 4.42Å; I183-F188 HydrophobicContact CG1-CD2 4.27Å; I183-F188 HydrophobicContact CG1-CE2 4.42Å; I183-M232 HydrophobicContact CD1-CB 3.59Å; I183-M232 HydrophobicContact CD1-CG 3.8Å; I183-M232 HydrophobicContact CG1-CB 4.01Å; I183-M232 HydrophobicContact CG1-CG 4.35Å; I183-M232 HydrophobicContact CG2-CG 4.37Å; I183-V244 HydrophobicContact CD1-CG1 4.42Å; I183-V244 HydrophobicContact CD1-CG2 3.37Å; I183-V271 HydrophobicContact CD1-CG2 4.47Å
184	G	90.7	Very high	95.5	Very high	88 Å²	88	23.2 Å²	23.2	91%	0.907	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	27.3	175.7	0	0	0	0	0	114.8
185	G	91.5	Very high	95.3	Very high	14 Å²	14	24.2 Å²	24.2	14%	0.144	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	3.1	-175.7	0	0	0	0	0	114.9	I183 M206 G207	I183-G185 PolarHBondContact O-N 3.07Å; I183-G185 VanDerWaalsContact O-N 3.11Å; G185-M206 WeakPolarHBondContact O-CB 3.45Å; G185-G207 PolarHBondContact O-N 3.22Å
186	E	94.5	Very high	95.1	Very high	22 Å²	22	27.6 Å²	27.6	10%	0.103	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.8	175.1	-61	-175.6	149.7	0	0	110	I183 F188 R204 L209	I183-E186 PolarHBondContact N-O 2.61Å; I183-E186 WeakPolarHBondContact O-CB 3.45Å; I183-E186 PolarHBondContact O-N 3.16Å; E186-F188 HydrophobicContact CB-CE2 4.03Å; E186-R204 HydrophobicContact CB-CG 4.11Å; E186-L209 VanDerWaalsContact OE1-CB 3.22Å; E186-L209 WeakPolarHBondContact OE1-CB 3.41Å; E186-L209 WeakPolarHBondContact OE1-CD1 3.42Å; E186-L209 WeakPolarHBondContact OE1-CG 3.3Å; E186-L209 PolarHBondContact OE1-N 2.63Å
187	L	96.9	Very high	94.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.8	-178.2	-174.4	72.9	0	0	0	109.4	V121 L131 R169 L182 R204 S205 M206	V121-L187 HydrophobicContact CG1-CD1 4.47Å; L131-L187 HydrophobicContact CD2-CD1 4.22Å; L131-L187 HydrophobicContact CD2-CD2 4.38Å; R169-L187 HydrophobicContact CB-CD2 3.69Å; R169-L187 HydrophobicContact CG-CD2 4.04Å; L182-L187 HydrophobicContact CB-CD1 4.28Å; L182-L187 HydrophobicContact CD1-CB 3.95Å; L182-L187 HydrophobicContact CD1-CD1 4.09Å; L187-R204 WeakPolarHBondContact O-CA 3.41Å; L187-S205 PolarHBondContact N-O 3.38Å; L187-S205 PolarHBondContact O-N 3.32Å; L187-M206 HydrophobicContact CB-CG 4.39Å; L187-M206 HydrophobicContact CB-SD 3.94Å
188	F	98.1	Very high	94.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.5	171.3	-67.5	-104	0	0	0	108.3	S180 T181 I183 E186 F203 R204 V244 F246 V271 W284	S180-F188 CarbonylContact C-O 3.56Å; S180-F188 WeakPolarHBondContact CA-O 3.37Å; S180-F188 WeakPolarHBondContact CB-O 2.98Å; T181-F188 HydrophobicContact CG2-CB 4Å; T181-F188 PolarHBondContact N-O 3.31Å; T181-F188 PolarHBondContact O-N 2.92Å; I183-F188 HydrophobicContact CB-CD2 4.35Å; I183-F188 HydrophobicContact CB-CE2 4.12Å; I183-F188 HydrophobicContact CD1-CD2 3.75Å; I183-F188 HydrophobicContact CD1-CE2 3.86Å; I183-F188 HydrophobicContact CD1-CG 4.42Å; I183-F188 HydrophobicContact CG1-CD2 4.27Å; I183-F188 HydrophobicContact CG1-CE2 4.42Å; E186-F188 HydrophobicContact CB-CE2 4.03Å; F188-F203 CarbonylContact C-O 3.44Å; F188-F203 VanDerWaalsContact CA-O 3.24Å; F188-F203 WeakPolarHBondContact CA-O 3.16Å; F188-R204 HydrophobicContact CD1-CB 3.94Å; F188-R204 HydrophobicContact CD1-CG 4.27Å; F188-R204 HydrophobicContact CD2-CG 4.32Å; F188-R204 HydrophobicContact CE1-CB 3.9Å; F188-R204 HydrophobicContact CE1-CG 3.97Å; F188-R204 HydrophobicContact CE2-CG 3.98Å; F188-R204 HydrophobicContact CG-CB 4.39Å; F188-R204 HydrophobicContact CG-CG 4.45Å; F188-R204 HydrophobicContact CZ-CB 4.28Å; F188-R204 VanDerWaalsContact CZ-CD 3.43Å; F188-R204 HydrophobicContact CZ-CG 3.81Å; F188-V244 HydrophobicContact CB-CG1 4.44Å; F188-V244 HydrophobicContact CD1-CB 4.43Å; F188-V244 HydrophobicContact CD1-CG2 3.9Å; F188-V244 HydrophobicContact CD2-CG2 4.45Å; F188-V244 HydrophobicContact CE1-CG2 3.89Å; F188-V244 HydrophobicContact CE2-CG2 4.47Å; F188-V244 HydrophobicContact CG-CG2 4.17Å; F188-V244 HydrophobicContact CZ-CG2 4.19Å; F188-F246 HydrophobicContact CB-CZ 4.07Å; F188-V271 HydrophobicContact CZ-CG1 4.12Å; F188-W284 HydrophobicContact CD1-CH2 4.09Å; F188-W284 HydrophobicContact CD1-CZ2 4.33Å; F188-W284 AromaticContact CE1-CH2 3.68Å; F188-W284 HydrophobicContact CE1-CH2 3.68Å; F188-W284 HydrophobicContact CE1-CZ2 4.37Å
189	A	98.3	Very high	94.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	132.3	-173.6	0	0	0	0	0	112.3	F178 I179 L191 I202 F203	F178-A189 HydrophobicContact CE2-CB 4.15Å; I179-A189 CarbonylContact O-C 3.5Å; I179-A189 VanDerWaalsContact O-CA 3.28Å; I179-A189 WeakPolarHBondContact O-CA 3.18Å; A189-L191 HydrophobicContact CB-CD2 3.87Å; A189-I202 CarbonylContact O-C 3.58Å; A189-I202 WeakPolarHBondContact O-CA 3.38Å; A189-F203 PolarHBondContact N-O 3.44Å; A189-F203 PolarHBondContact O-N 3.28Å
190	G	98.1	Very high	94.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117	168.6	0	0	0	0	0	109	F178 I179 F227	F178-G190 WeakPolarHBondContact CA-O 3.4Å; I179-G190 PolarHBondContact N-O 3.44Å; I179-G190 PolarHBondContact O-N 3.12Å; G190-F227 VanDerWaalsContact C-CD2 3.42Å; G190-F227 WeakPolarHBondContact O-CD2 3.38Å
191	L	97.4	Very high	94.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	165.4	-171.9	65.1	87.1	0	0	0	113.3	F178 A189 A201 F203 F227	F178-L191 HydrophobicContact CD2-CB 3.73Å; F178-L191 HydrophobicContact CD2-CD2 4.24Å; F178-L191 HydrophobicContact CE2-CB 4.26Å; F178-L191 HydrophobicContact CE2-CD2 3.95Å; A189-L191 HydrophobicContact CB-CD2 3.87Å; L191-A201 PolarHBondContact N-O 2.96Å; L191-A201 PolarHBondContact O-N 3.19Å; L191-A201 VanDerWaalsContact O-O 3.14Å; L191-F203 HydrophobicContact CD1-CD2 4.09Å; L191-F203 HydrophobicContact CD1-CE2 3.69Å; L191-F203 HydrophobicContact CD2-CD2 4.31Å; L191-F203 HydrophobicContact CG-CD2 3.91Å; L191-F203 HydrophobicContact CG-CE2 4Å; L191-F227 VanDerWaalsContact N-CE2 3.33Å
192	Y	96.5	Very high	94.6	Very high	28 Å²	28	33.5 Å²	33.5	11%	0.11	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.5	164	-70.8	-97	0	0	0	110.3	S197 D199 A200 E224 P225	Y192-S197 WeakPolarHBondContact CD1-O 3.28Å; Y192-S197 WeakPolarHBondContact CE1-O 3.42Å; Y192-D199 WeakPolarHBondContact CA-O 3.49Å; Y192-A200 HydrophobicContact CD1-CB 3.91Å; Y192-A200 HydrophobicContact CE1-CB 3.64Å; Y192-A200 HydrophobicContact CE2-CB 4.37Å; Y192-A200 HydrophobicContact CG-CB 4.43Å; Y192-E224 VanDerWaalsContact OH-C 3.26Å; Y192-E224 WeakPolarHBondContact OH-CA 3.05Å; Y192-P225 WeakPolarHBondContact CE2-O 3.4Å; Y192-P225 WeakPolarHBondContact OH-CD 3.2Å; Y192-P225 PolarHBondContact OH-O 2.83Å
193	S	92.8	Very high	94.5	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.028	17%	0.17	C	C	.	.			trans	-100.3	2.1	-162.2	106.9	0	0	0	0	115	F172 D199 F203 R213	F172-S193 WeakPolarHBondContact CE2-O 3.5Å; S193-D199 PolarHBondContact N-O 3.45Å; S193-D199 PolarHBondContact OG-OD2 3.15Å; S193-F203 VanDerWaalsContact CB-CZ 3.42Å; S193-R213 PolarHBondContact OG-NH1 3.26Å
194	D	91.1	Very high	94.6	Very high	30 Å²	30	31.2 Å²	31.2	16%	0.16	16%	0.164	C	C	.	.	S	Bend	trans	-122.6	165.4	-179.4	72	-40.2	0	0	0	112.3	W196 S197 R198 D199	D194-W196 PolarHBondContact O-N 3.42Å; D194-S197 PolarHBondContact O-N 2.99Å; D194-S197 WeakPolarHBondContact OD1-CA 3.42Å; D194-S197 PolarHBondContact OD1-N 2.99Å; D194-R198 PolarHBondContact OD1-N 3.37Å; D194-R198 PolarHBondContact OD2-N 3.29Å; D194-D199 HydrophobicContact CB-CB 4.18Å; D194-D199 PolarHBondContact OD1-N 3.25Å
195	Y	90.6	Very high	94.8	Very high	31 Å²	31	27.3 Å²	27.3	12%	0.122	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28.3	-177.6	-175.4	-89.1	0	0	0	113.3	K108 K110 F138 F172	K108-Y195 WeakPolarHBondContact CB-OH 3.45Å; K108-Y195 HydrophobicContact CD-CE2 4.16Å; K110-Y195 WeakPolarHBondContact CG-OH 2.97Å; F138-Y195 HydrophobicContact CB-CD2 3.72Å; F138-Y195 HydrophobicContact CB-CE2 3.4Å; F138-Y195 AromaticContact CD1-CD2 3.92Å; F138-Y195 HydrophobicContact CD1-CD2 3.92Å; F138-Y195 AromaticContact CD1-CE2 3.74Å; F138-Y195 HydrophobicContact CD1-CE2 3.74Å; F138-Y195 HydrophobicContact CG-CD2 4.21Å; F138-Y195 AromaticContact CG-CE2 3.76Å; F138-Y195 HydrophobicContact CG-CE2 3.76Å; F172-Y195 HydrophobicContact CD1-CD2 4.41Å
196	W	90.4	Very high	94.6	Very high	168 Å²	168	27.8 Å²	27.8	64%	0.636	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	3.5	-174.7	-56.5	109.1	0	0	0	113.8	D194 R198	D194-W196 PolarHBondContact O-N 3.42Å; W196-R198 HydrophobicContact CB-CG 4.16Å; W196-R198 PolarHBondContact O-N 3.02Å
197	S	91.1	Very high	94.1	Very high	33 Å²	33	29.2 Å²	29.2	23%	0.231	14%	0.142	C	C	.	.	S	Bend	trans	52.8	49.3	-176.7	-57.8	0	0	0	0	114	S176 Y192 D194	S176-S197 PolarHBondContact OG-OG 2.84Å; Y192-S197 WeakPolarHBondContact CD1-O 3.28Å; Y192-S197 WeakPolarHBondContact CE1-O 3.42Å; D194-S197 PolarHBondContact O-N 2.99Å; D194-S197 WeakPolarHBondContact OD1-CA 3.42Å; D194-S197 PolarHBondContact OD1-N 2.99Å
198	R	91.8	Very high	93.2	Very high	201 Å²	201	41.1 Å²	41.1	76%	0.758	19%	0.186	S	C	*	.			trans	-112.9	-31.8	177.1	-63.2	-178.3	179.2	-176.6	-0.7	113.1	D194 W196 A200	D194-R198 PolarHBondContact OD1-N 3.37Å; D194-R198 PolarHBondContact OD2-N 3.29Å; W196-R198 HydrophobicContact CB-CG 4.16Å; W196-R198 PolarHBondContact O-N 3.02Å; R198-A200 PolarHBondContact O-N 2.8Å
199	D	93.7	Very high	92.5	Very high	14 Å²	14	44.2 Å²	44.2	8%	0.075	20%	0.203	C	C	.	.			trans	-90.2	78.9	-177.4	179.6	34.9	0	0	0	111.4	Y192 S193 D194 R213 H216	Y192-D199 WeakPolarHBondContact CA-O 3.49Å; S193-D199 PolarHBondContact N-O 3.45Å; S193-D199 PolarHBondContact OG-OD2 3.15Å; D194-D199 HydrophobicContact CB-CB 4.18Å; D194-D199 PolarHBondContact OD1-N 3.25Å; D199-R213 IonicContact OD1-CZ 2.76Å; D199-R213 IonicContact OD1-NH1 3.83Å; D199-R213 IonicContact OD1-NH2 3.55Å; D199-R213 PolarHBondContact OD1-NH2 2.83Å; D199-R213 IonicContact OD2-CZ 2.67Å; D199-R213 IonicContact OD2-NH1 2.77Å; D199-R213 PolarHBondContact OD2-NH1 3.04Å; D199-R213 IonicContact OD2-NH2 2.74Å; D199-R213 PolarHBondContact OD2-NH2 3.45Å; D199-H216 VanDerWaalsContact CG-ND1 3.28Å; D199-H216 IonicContact OD1-CE1 3.59Å; D199-H216 PolarHBondContact OD1-CE1 2.89Å; D199-H216 IonicContact OD1-CG 2.66Å; D199-H216 IonicContact OD1-ND1 3.68Å; D199-H216 PolarHBondContact OD1-ND1 3.38Å; D199-H216 IonicContact OD2-ND1 3.78Å
200	A	95.9	Very high	91.8	Very high	16 Å²	16	46.6 Å²	46.6	13%	0.132	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129.5	172.5	0	0	0	0	0	111.6	Y192 R198 P225	Y192-A200 HydrophobicContact CD1-CB 3.91Å; Y192-A200 HydrophobicContact CE1-CB 3.64Å; Y192-A200 HydrophobicContact CE2-CB 4.37Å; Y192-A200 HydrophobicContact CG-CB 4.43Å; R198-A200 PolarHBondContact O-N 2.8Å; A200-P225 VanDerWaalsContact CB-CD 3.41Å; A200-P225 HydrophobicContact CB-CG 3.5Å; A200-P225 VanDerWaalsContact CB-CG 3.5Å
201	A	97	Very high	91.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	155.7	177.3	0	0	0	0	0	113.4	L191 F203 T214	L191-A201 PolarHBondContact N-O 2.96Å; L191-A201 PolarHBondContact O-N 3.19Å; L191-A201 VanDerWaalsContact O-O 3.14Å; A201-F203 HydrophobicContact CB-CD2 4.07Å; A201-F203 HydrophobicContact CB-CE2 3.42Å; A201-F203 VanDerWaalsContact CB-CE2 3.42Å; A201-F203 HydrophobicContact CB-CZ 3.79Å; A201-T214 VanDerWaalsContact CA-OG1 3.23Å; A201-T214 WeakPolarHBondContact CA-OG1 3.46Å; A201-T214 WeakPolarHBondContact CB-OG1 3.49Å
202	I	98.2	Very high	91.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.1	166.3	-62.5	163.5	0	0	0	108	A189 R213 T214 L222 F227 F246 L269 W284 F287	A189-I202 CarbonylContact O-C 3.58Å; A189-I202 WeakPolarHBondContact O-CA 3.38Å; I202-R213 CarbonylContact O-C 3.44Å; I202-R213 VanDerWaalsContact O-CA 3.22Å; I202-R213 WeakPolarHBondContact O-CA 3.47Å; I202-T214 HydrophobicContact CB-CG2 4.13Å; I202-T214 PolarHBondContact N-OG1 3.09Å; I202-T214 PolarHBondContact O-N 3.47Å; I202-T214 VanDerWaalsContact O-N 3.11Å; I202-L222 HydrophobicContact CD1-CD1 4.37Å; I202-L222 HydrophobicContact CD1-CD2 4.34Å; I202-L222 HydrophobicContact CG1-CD1 4.14Å; I202-F227 HydrophobicContact CD1-CE1 4.34Å; I202-F227 HydrophobicContact CG1-CE1 3.89Å; I202-F227 HydrophobicContact CG1-CZ 4.26Å; I202-F246 HydrophobicContact CD1-CB 4.4Å; I202-F246 HydrophobicContact CD1-CD1 4.46Å; I202-F246 HydrophobicContact CD1-CD2 4.26Å; I202-F246 HydrophobicContact CD1-CG 4.12Å; I202-F246 HydrophobicContact CG1-CD1 4.45Å; I202-F246 HydrophobicContact CG2-CD2 4.21Å; I202-F246 HydrophobicContact CG2-CE1 4.03Å; I202-F246 HydrophobicContact CG2-CE2 3.62Å; I202-F246 HydrophobicContact CG2-CZ 3.5Å; I202-F246 VanDerWaalsContact CG2-CZ 3.5Å; I202-L269 HydrophobicContact CG2-CD1 3.58Å; I202-W284 PolarHBondContact O-NE1 2.9Å; I202-F287 HydrophobicContact CD1-CD2 4.31Å; I202-F287 HydrophobicContact CD1-CE2 3.55Å; I202-F287 HydrophobicContact CD1-CZ 4.21Å
203	F	96.3	Very high	91.4	Very high	6 Å²	6	51 Å²	51	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	149.9	-176.5	-69.5	-91.4	0	0	0	111.3	F188 A189 L191 S193 A201 H211 I212 R213	F188-F203 CarbonylContact C-O 3.44Å; F188-F203 VanDerWaalsContact CA-O 3.24Å; F188-F203 WeakPolarHBondContact CA-O 3.16Å; A189-F203 PolarHBondContact N-O 3.44Å; A189-F203 PolarHBondContact O-N 3.28Å; L191-F203 HydrophobicContact CD1-CD2 4.09Å; L191-F203 HydrophobicContact CD1-CE2 3.69Å; L191-F203 HydrophobicContact CD2-CD2 4.31Å; L191-F203 HydrophobicContact CG-CD2 3.91Å; L191-F203 HydrophobicContact CG-CE2 4Å; S193-F203 VanDerWaalsContact CB-CZ 3.42Å; A201-F203 HydrophobicContact CB-CD2 4.07Å; A201-F203 HydrophobicContact CB-CE2 3.42Å; A201-F203 VanDerWaalsContact CB-CE2 3.42Å; A201-F203 HydrophobicContact CB-CZ 3.79Å; F203-H211 AromaticContact CD1-CE1 3.4Å; F203-H211 WeakPolarHBondContact CD1-CE1 3.48Å; F203-H211 AromaticContact CD1-NE2 3.45Å; F203-H211 WeakPolarHBondContact CD1-NE2 3.44Å; F203-H211 AromaticContact CE1-CE1 3.69Å; F203-H211 AromaticContact CE1-NE2 3.99Å; F203-I212 CarbonylContact C-O 3.59Å; F203-I212 WeakPolarHBondContact CA-O 3.15Å; F203-R213 HydrophobicContact CD1-CB 3.64Å; F203-R213 HydrophobicContact CE1-CB 3.68Å; F203-R213 HydrophobicContact CE1-CG 4.25Å; F203-R213 HydrophobicContact CG-CB 4.3Å; F203-R213 HydrophobicContact CZ-CB 4.37Å
204	R	96.4	Very high	91.6	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.9	148.3	176.3	-165.6	72.2	-150.5	-8.9	108.5	E186 L187 F188 A210 H211 I212 V271 D273 W284	E186-R204 HydrophobicContact CB-CG 4.11Å; L187-R204 WeakPolarHBondContact O-CA 3.41Å; F188-R204 HydrophobicContact CD1-CB 3.94Å; F188-R204 HydrophobicContact CD1-CG 4.27Å; F188-R204 HydrophobicContact CD2-CG 4.32Å; F188-R204 HydrophobicContact CE1-CB 3.9Å; F188-R204 HydrophobicContact CE1-CG 3.97Å; F188-R204 HydrophobicContact CE2-CG 3.98Å; F188-R204 HydrophobicContact CG-CB 4.39Å; F188-R204 HydrophobicContact CG-CG 4.45Å; F188-R204 HydrophobicContact CZ-CB 4.28Å; F188-R204 VanDerWaalsContact CZ-CD 3.43Å; F188-R204 HydrophobicContact CZ-CG 3.81Å; R204-A210 PolarHBondContact NH2-O 3.46Å; R204-H211 WeakPolarHBondContact O-CA 3.29Å; R204-I212 HydrophobicContact CB-CG2 3.62Å; R204-I212 PolarHBondContact N-O 3.17Å; R204-I212 PolarHBondContact O-N 3.02Å; R204-I212 VanDerWaalsContact O-N 3.1Å; R204-V271 PolarHBondContact NH1-O 3.22Å; R204-D273 PolarHBondContact NH1-O 2.94Å; R204-D273 PolarHBondContact NH2-O 2.88Å; R204-W284 HydrophobicContact CB-CH2 3.45Å; R204-W284 VanDerWaalsContact CB-CH2 3.45Å; R204-W284 HydrophobicContact CB-CZ2 3.59Å; R204-W284 HydrophobicContact CG-CH2 4.45Å
205	S	93.7	Very high	91.7	Very high	5 Å²	5	51.2 Å²	51.2	4%	0.035	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	175.3	179.8	68.9	0	0	0	0	110	R169 L187	R169-S205 WeakPolarHBondContact CG-OG 3.37Å; L187-S205 PolarHBondContact N-O 3.38Å; L187-S205 PolarHBondContact O-N 3.32Å
206	M	87.7	Confident	91.8	Very high	24 Å²	24	54.4 Å²	54.4	12%	0.118	26%	0.258	C	S	.	.	S	Bend	trans	64.1	177.2	-174.1	-53.2	179.4	65.2	0	0	112.7	Y125 L131 F144 G185 L187	Y125-M206 HydrophobicContact CD2-CE 4.43Å; Y125-M206 HydrophobicContact CE2-CE 4.1Å; L131-M206 HydrophobicContact CD1-CE 3.88Å; L131-M206 HydrophobicContact CD1-SD 4.13Å; L131-M206 HydrophobicContact CD2-CE 3.96Å; L131-M206 HydrophobicContact CD2-SD 3.55Å; L131-M206 VanDerWaalsContact CD2-SD 3.55Å; L131-M206 HydrophobicContact CG-SD 4.5Å; F144-M206 HydrophobicContact CE1-CE 4.32Å; F144-M206 HydrophobicContact CZ-CE 3.96Å; G185-M206 WeakPolarHBondContact O-CB 3.45Å; L187-M206 HydrophobicContact CB-CG 4.39Å; L187-M206 HydrophobicContact CB-SD 3.94Å
207	G	83.4	Confident	91.5	Very high	52 Å²	52	52.7 Å²	52.7	54%	0.536	26%	0.261	S	S	.	.	S	Bend	trans	70.7	-156.6	180	0	0	0	0	0	114.4	G185	G185-G207 PolarHBondContact O-N 3.22Å
208	R	79.5	Confident	91.6	Very high	250 Å²	250	52.2 Å²	52.2	94%	0.943	26%	0.256	S	S	*	.	S	Bend	trans	-95.1	-27	-173.1	-65.2	179.6	116	166.1	2.5	112.5
209	L	82.9	Confident	91.6	Very high	66 Å²	66	47.3 Å²	47.3	35%	0.346	24%	0.242	S	C	.	.	S	Bend	trans	-74.7	154.3	-179.2	-61.5	178.8	0	0	0	111	E186 V274	E186-L209 VanDerWaalsContact OE1-CB 3.22Å; E186-L209 WeakPolarHBondContact OE1-CB 3.41Å; E186-L209 WeakPolarHBondContact OE1-CD1 3.42Å; E186-L209 WeakPolarHBondContact OE1-CG 3.3Å; E186-L209 PolarHBondContact OE1-N 2.63Å; L209-V274 HydrophobicContact CD1-CG1 4.5Å; L209-V274 HydrophobicContact CD2-CG1 4Å
210	A	83.4	Confident	91.6	Very high	50 Å²	50	51.1 Å²	51.1	41%	0.413	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-61.7	145.3	177	0	0	0	0	0	110.8	R204 I212	R204-A210 PolarHBondContact NH2-O 3.46Å; A210-I212 PolarHBondContact O-N 3.27Å
211	H	91.6	Very high	91.5	Very high	89 Å²	89	51 Å²	51	41%	0.412	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-61	127.3	171.9	-179.8	-80.9	0	0	0	109.9	F203 R204	F203-H211 AromaticContact CD1-CE1 3.4Å; F203-H211 WeakPolarHBondContact CD1-CE1 3.48Å; F203-H211 AromaticContact CD1-NE2 3.45Å; F203-H211 WeakPolarHBondContact CD1-NE2 3.44Å; F203-H211 AromaticContact CE1-CE1 3.69Å; F203-H211 AromaticContact CE1-NE2 3.99Å; R204-H211 WeakPolarHBondContact O-CA 3.29Å
212	I	95.5	Very high	91.5	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	146.1	-173.9	-175.9	161.8	0	0	0	109.3	F203 R204 A210 N282 K283 W284	F203-I212 CarbonylContact C-O 3.59Å; F203-I212 WeakPolarHBondContact CA-O 3.15Å; R204-I212 HydrophobicContact CB-CG2 3.62Å; R204-I212 PolarHBondContact N-O 3.17Å; R204-I212 PolarHBondContact O-N 3.02Å; R204-I212 VanDerWaalsContact O-N 3.1Å; A210-I212 PolarHBondContact O-N 3.27Å; I212-N282 WeakPolarHBondContact CA-O 3.32Å; I212-K283 WeakPolarHBondContact CD1-O 3.44Å; I212-W284 HydrophobicContact CD1-CD2 3.95Å; I212-W284 HydrophobicContact CD1-CE3 3.52Å; I212-W284 HydrophobicContact CD1-CZ3 3.93Å; I212-W284 HydrophobicContact CG1-CD2 3.77Å; I212-W284 HydrophobicContact CG1-CE3 3.85Å; I212-W284 HydrophobicContact CG1-CG 4.21Å; I212-W284 HydrophobicContact CG1-CZ3 4.26Å; I212-W284 HydrophobicContact CG2-CD2 4.2Å; I212-W284 HydrophobicContact CG2-CE3 4.05Å; I212-W284 HydrophobicContact CG2-CH2 3.32Å; I212-W284 HydrophobicContact CG2-CZ2 3.49Å; I212-W284 VanDerWaalsContact CG2-CZ2 3.49Å; I212-W284 HydrophobicContact CG2-CZ3 3.61Å
213	R	95.9	Very high	91.3	Very high	29 Å²	29	54 Å²	54	11%	0.109	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	167.3	178.8	60.5	162.7	-72.6	157.6	-4.4	112.7	S193 D199 I202 F203 N282 K283 W284	S193-R213 PolarHBondContact OG-NH1 3.26Å; D199-R213 IonicContact OD1-CZ 2.76Å; D199-R213 IonicContact OD1-NH1 3.83Å; D199-R213 IonicContact OD1-NH2 3.55Å; D199-R213 PolarHBondContact OD1-NH2 2.83Å; D199-R213 IonicContact OD2-CZ 2.67Å; D199-R213 IonicContact OD2-NH1 2.77Å; D199-R213 PolarHBondContact OD2-NH1 3.04Å; D199-R213 IonicContact OD2-NH2 2.74Å; D199-R213 PolarHBondContact OD2-NH2 3.45Å; I202-R213 CarbonylContact O-C 3.44Å; I202-R213 VanDerWaalsContact O-CA 3.22Å; I202-R213 WeakPolarHBondContact O-CA 3.47Å; F203-R213 HydrophobicContact CD1-CB 3.64Å; F203-R213 HydrophobicContact CE1-CB 3.68Å; F203-R213 HydrophobicContact CE1-CG 4.25Å; F203-R213 HydrophobicContact CG-CB 4.3Å; F203-R213 HydrophobicContact CZ-CB 4.37Å; R213-N282 PolarHBondContact N-O 3.22Å; R213-K283 HydrophobicContact CG-CD 4.09Å; R213-K283 WeakPolarHBondContact O-CA 3.18Å; R213-K283 VanDerWaalsContact O-CD 3.24Å; R213-K283 WeakPolarHBondContact O-CD 3.15Å; R213-W284 PolarHBondContact O-N 3.39Å
214	T	96.8	Very high	91.3	Very high	3 Å²	3	59 Å²	59	2%	0.018	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-60.6	156.1	164.9	48.6	0	0	0	0	111.2	A201 I202 L221 L222 K283 W284	A201-T214 VanDerWaalsContact CA-OG1 3.23Å; A201-T214 WeakPolarHBondContact CA-OG1 3.46Å; A201-T214 WeakPolarHBondContact CB-OG1 3.49Å; I202-T214 HydrophobicContact CB-CG2 4.13Å; I202-T214 PolarHBondContact N-OG1 3.09Å; I202-T214 PolarHBondContact O-N 3.47Å; I202-T214 VanDerWaalsContact O-N 3.11Å; T214-L221 HydrophobicContact CG2-CD1 4.39Å; T214-L222 HydrophobicContact CG2-CD1 4.18Å; T214-K283 PolarHBondContact O-NZ 2.86Å; T214-K283 VanDerWaalsContact O-NZ 3.1Å; T214-W284 VanDerWaalsContact N-CD1 3.33Å
215	E	94.6	Very high	91.3	Very high	36 Å²	36	59.1 Å²	59.1	17%	0.168	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-59.7	147.5	171.4	-75.2	-171.3	91.9	0	0	110.7	D218 L221 L280 K283 R406	E215-D218 HydrophobicContact CB-CB 4.19Å; E215-L221 HydrophobicContact CB-CD1 3.88Å; E215-L280 VanDerWaalsContact CD-CD2 3.48Å; E215-L280 HydrophobicContact CG-CD2 3.94Å; E215-L280 WeakPolarHBondContact OE2-CD2 3.49Å; E215-K283 HydrophobicContact CG-CB 4.24Å; E215-K283 HydrophobicContact CG-CD 4.12Å; E215-K283 HydrophobicContact CG-CG 3.95Å; E215-R406 IonicContact OE1-CZ 2.69Å; E215-R406 VanDerWaalsContact OE1-CZ 3.29Å; E215-R406 IonicContact OE1-NE 2.78Å; E215-R406 PolarHBondContact OE1-NE 3.21Å; E215-R406 VanDerWaalsContact OE1-NE 3.14Å; E215-R406 IonicContact OE1-NH2 2.73Å; E215-R406 PolarHBondContact OE1-NH2 3.35Å; E215-R406 WeakPolarHBondContact OE2-CD 3.16Å; E215-R406 VanDerWaalsContact OE2-CG 3.29Å; E215-R406 WeakPolarHBondContact OE2-CG 3.35Å; E215-R406 IonicContact OE2-CZ 3.85Å; E215-R406 IonicContact OE2-NE 3.11Å; E215-R406 PolarHBondContact OE2-NE 3.35Å; E215-R406 IonicContact OE2-NH2 2.64Å
216	H	91.2	Very high	91.5	Very high	99 Å²	99	62.7 Å²	62.7	46%	0.458	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	143.6	178.3	-174.6	59.1	0	0	0	108.5	D199 D218	D199-H216 VanDerWaalsContact CG-ND1 3.28Å; D199-H216 IonicContact OD1-CE1 3.59Å; D199-H216 PolarHBondContact OD1-CE1 2.89Å; D199-H216 IonicContact OD1-CG 2.66Å; D199-H216 IonicContact OD1-ND1 3.68Å; D199-H216 PolarHBondContact OD1-ND1 3.38Å; D199-H216 IonicContact OD2-ND1 3.78Å; H216-D218 PolarHBondContact O-N 3.43Å; H216-D218 VanDerWaalsContact O-N 3.07Å
217	D	85.9	Confident	92	Very high	131 Å²	131	62 Å²	62	70%	0.701	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	18.6	178.2	-53.1	-32.9	0	0	0	116	E219	D217-E219 PolarHBondContact O-N 3.3Å
218	D	91.6	Very high	92.7	Very high	23 Å²	23	60.6 Å²	60.6	12%	0.123	28%	0.282	C	S	.	.			trans	-95.7	92.5	172.6	-163.8	-24.7	0	0	0	110.9	E215 H216 R220 L221 L222	E215-D218 HydrophobicContact CB-CB 4.19Å; H216-D218 PolarHBondContact O-N 3.43Å; H216-D218 VanDerWaalsContact O-N 3.07Å; D218-R220 PolarHBondContact O-N 3.2Å; D218-R220 VanDerWaalsContact O-N 3.08Å; D218-R220 VanDerWaalsContact OD1-CB 3.22Å; D218-R220 WeakPolarHBondContact OD1-CB 3.23Å; D218-R220 WeakPolarHBondContact OD1-CG 3.39Å; D218-R220 IonicContact OD1-CZ 2.98Å; D218-R220 PolarHBondContact OD1-N 2.96Å; D218-R220 IonicContact OD1-NE 2.77Å; D218-R220 PolarHBondContact OD1-NE 2.95Å; D218-R220 IonicContact OD1-NH2 2.6Å; D218-R220 IonicContact OD2-CZ 3.84Å; D218-R220 IonicContact OD2-NE 3.86Å; D218-R220 PolarHBondContact OD2-NE 2.87Å; D218-R220 IonicContact OD2-NH2 2.71Å; D218-R220 PolarHBondContact OD2-NH2 3.3Å; D218-L221 HydrophobicContact CB-CD1 4.17Å; D218-L221 HydrophobicContact CB-CG 4.27Å; D218-L221 WeakPolarHBondContact O-CB 3.28Å; D218-L221 PolarHBondContact O-N 3.46Å; D218-L222 PolarHBondContact O-N 3.35Å
219	E	92.3	Very high	93.6	Very high	99 Å²	99	48.7 Å²	48.7	46%	0.463	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.1	179.6	-62.1	-168.7	165.5	0	0	113.5	D217 L221 K223 L253	D217-E219 PolarHBondContact O-N 3.3Å; E219-L221 PolarHBondContact O-N 3.36Å; E219-K223 HydrophobicContact CB-CB 4.37Å; E219-K223 HydrophobicContact CB-CD 4.36Å; E219-K223 HydrophobicContact CB-CG 4.43Å; E219-K223 HydrophobicContact CG-CG 4.48Å; E219-K223 IonicContact OE1-NZ 2.63Å; E219-K223 WeakPolarHBondContact OE2-CE 3.43Å; E219-K223 IonicContact OE2-NZ 3.32Å; E219-K223 PolarHBondContact OE2-NZ 3.37Å; E219-L253 HydrophobicContact CB-CD1 4.17Å; E219-L253 WeakPolarHBondContact O-CD1 3.38Å
220	R	93	Very high	94.3	Very high	93 Å²	93	45.9 Å²	45.9	35%	0.351	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-30.5	175.9	-58.8	171.8	-68.8	-175.3	-0.5	111.3	D218 L253 K289 P409	D218-R220 PolarHBondContact O-N 3.2Å; D218-R220 VanDerWaalsContact O-N 3.08Å; D218-R220 VanDerWaalsContact OD1-CB 3.22Å; D218-R220 WeakPolarHBondContact OD1-CB 3.23Å; D218-R220 WeakPolarHBondContact OD1-CG 3.39Å; D218-R220 IonicContact OD1-CZ 2.98Å; D218-R220 PolarHBondContact OD1-N 2.96Å; D218-R220 IonicContact OD1-NE 2.77Å; D218-R220 PolarHBondContact OD1-NE 2.95Å; D218-R220 IonicContact OD1-NH2 2.6Å; D218-R220 IonicContact OD2-CZ 3.84Å; D218-R220 IonicContact OD2-NE 3.86Å; D218-R220 PolarHBondContact OD2-NE 2.87Å; D218-R220 IonicContact OD2-NH2 2.71Å; D218-R220 PolarHBondContact OD2-NH2 3.3Å; R220-L253 HydrophobicContact CG-CD1 4.49Å; R220-K289 WeakPolarHBondContact O-CE 3.31Å; R220-K289 PolarHBondContact O-NZ 3.04Å; R220-P409 HydrophobicContact CB-CG 3.91Å; R220-P409 WeakPolarHBondContact O-CG 3.13Å
221	L	95.2	Very high	95	Very high	15 Å²	15	47 Å²	47	8%	0.079	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-57.3	175.7	-62	177.2	0	0	0	110.2	T214 E215 D218 E219 F287 K289 P409	T214-L221 HydrophobicContact CG2-CD1 4.39Å; E215-L221 HydrophobicContact CB-CD1 3.88Å; D218-L221 HydrophobicContact CB-CD1 4.17Å; D218-L221 HydrophobicContact CB-CG 4.27Å; D218-L221 WeakPolarHBondContact O-CB 3.28Å; D218-L221 PolarHBondContact O-N 3.46Å; E219-L221 PolarHBondContact O-N 3.36Å; L221-F287 HydrophobicContact CB-CE1 4.42Å; L221-F287 HydrophobicContact CD2-CD1 3.66Å; L221-F287 HydrophobicContact CD2-CE1 4.16Å; L221-K289 PolarHBondContact O-NZ 3.37Å; L221-P409 HydrophobicContact CD2-CB 3.79Å; L221-P409 HydrophobicContact CD2-CG 4.14Å
222	L	96.2	Very high	95.3	Very high	15 Å²	15	46.4 Å²	46.4	8%	0.079	22%	0.216	C	C	.	.			trans	-146.3	128.3	-175.3	-63	170.4	0	0	0	109.9	I202 T214 D218 P225 F227 F248 F287	I202-L222 HydrophobicContact CD1-CD1 4.37Å; I202-L222 HydrophobicContact CD1-CD2 4.34Å; I202-L222 HydrophobicContact CG1-CD1 4.14Å; T214-L222 HydrophobicContact CG2-CD1 4.18Å; D218-L222 PolarHBondContact O-N 3.35Å; L222-P225 HydrophobicContact CB-CG 4.18Å; L222-P225 HydrophobicContact CD2-CB 4.42Å; L222-P225 HydrophobicContact CD2-CG 4.42Å; L222-F227 HydrophobicContact CD1-CZ 4.29Å; L222-F248 HydrophobicContact CD2-CD2 4.39Å; L222-F248 HydrophobicContact CD2-CE1 4.42Å; L222-F248 HydrophobicContact CD2-CE2 3.68Å; L222-F248 HydrophobicContact CD2-CZ 3.7Å; L222-F287 HydrophobicContact CD2-CZ 4.34Å
223	K	95.3	Very high	95.4	Very high	46 Å²	46	46.5 Å²	46.5	20%	0.2	22%	0.217	C	C	.	.	S	Bend	trans	-125.4	100.3	175	-171.6	174.2	-178.8	145.8	0	112.1	E219 E250 K251 L253	E219-K223 HydrophobicContact CB-CB 4.37Å; E219-K223 HydrophobicContact CB-CD 4.36Å; E219-K223 HydrophobicContact CB-CG 4.43Å; E219-K223 HydrophobicContact CG-CG 4.48Å; E219-K223 IonicContact OE1-NZ 2.63Å; E219-K223 WeakPolarHBondContact OE2-CE 3.43Å; E219-K223 IonicContact OE2-NZ 3.32Å; E219-K223 PolarHBondContact OE2-NZ 3.37Å; K223-E250 PolarHBondContact N-OE2 2.87Å; K223-E250 WeakPolarHBondContact O-CB 3.45Å; K223-K251 HydrophobicContact CB-CB 4.47Å; K223-K251 HydrophobicContact CD-CB 3.94Å; K223-K251 HydrophobicContact CG-CB 3.98Å; K223-K251 PolarHBondContact O-N 2.82Å; K223-L253 HydrophobicContact CD-CD2 3.51Å; K223-L253 HydrophobicContact CD-CG 4.08Å
224	E	95.3	Very high	95.3	Very high	113 Å²	113	45.6 Å²	45.6	53%	0.528	22%	0.215	S	C	.	.	S	Bend	trans	49.2	57.4	-176.4	-62.4	176.1	-135.2	0	0	112.6	Y192 K251	Y192-E224 VanDerWaalsContact OH-C 3.26Å; Y192-E224 WeakPolarHBondContact OH-CA 3.05Å; E224-K251 HydrophobicContact CB-CD 4.48Å; E224-K251 IonicContact OE1-NZ 3.15Å; E224-K251 PolarHBondContact OE1-NZ 2.91Å; E224-K251 WeakPolarHBondContact OE2-CE 3.37Å; E224-K251 IonicContact OE2-NZ 2.89Å; E224-K251 PolarHBondContact OE2-NZ 2.71Å
225	P	97.3	Very high	95.1	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.013	22%	0.221	C	C	.	.			trans	-71.5	144.8	-175.6	31.7	-37.2	0	0	0	112.4	Y192 A200 L222 F227 F248 T249	Y192-P225 WeakPolarHBondContact CE2-O 3.4Å; Y192-P225 WeakPolarHBondContact OH-CD 3.2Å; Y192-P225 PolarHBondContact OH-O 2.83Å; A200-P225 VanDerWaalsContact CB-CD 3.41Å; A200-P225 HydrophobicContact CB-CG 3.5Å; A200-P225 VanDerWaalsContact CB-CG 3.5Å; L222-P225 HydrophobicContact CB-CG 4.18Å; L222-P225 HydrophobicContact CD2-CB 4.42Å; L222-P225 HydrophobicContact CD2-CG 4.42Å; P225-F227 HydrophobicContact CB-CE1 4.3Å; P225-F227 HydrophobicContact CB-CE2 4.21Å; P225-F227 HydrophobicContact CB-CZ 4.02Å; P225-F227 HydrophobicContact CG-CE1 4.38Å; P225-F227 HydrophobicContact CG-CE2 3.73Å; P225-F227 HydrophobicContact CG-CZ 3.63Å; P225-F248 HydrophobicContact CB-CD2 3.9Å; P225-T249 CarbonylContact C-O 3.43Å; P225-T249 WeakPolarHBondContact CA-O 3.41Å
226	K	97.8	Very high	95	Very high	81 Å²	81	47.1 Å²	47.1	35%	0.352	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	104.2	157.9	172.8	-167	175.7	-162.9	0	107.6	S177 F248 T249 E310	S177-K226 WeakPolarHBondContact OG-CA 3.22Å; K226-F248 CarbonylContact O-C 3.6Å; K226-F248 WeakPolarHBondContact O-CA 3.37Å; K226-F248 VanDerWaalsContact O-CB 3.26Å; K226-F248 WeakPolarHBondContact O-CB 3.48Å; K226-T249 WeakPolarHBondContact CB-OG1 3.45Å; K226-T249 PolarHBondContact N-O 2.91Å; K226-T249 PolarHBondContact O-N 3.39Å; K226-E310 IonicContact NZ-OE2 3.34Å; K226-E310 PolarHBondContact NZ-OE2 3.48Å
227	F	98.3	Very high	95	Very high	10 Å²	10	48.8 Å²	48.8	4%	0.044	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	137	173.5	-58.3	-75.6	0	0	0	111.3	S177 I179 G190 L191 I202 L222 P225 F248	S177-F227 PolarHBondContact OG-N 3.48Å; S177-F227 PolarHBondContact OG-O 3.07Å; I179-F227 HydrophobicContact CB-CB 4.06Å; I179-F227 HydrophobicContact CG2-CB 3.67Å; I179-F227 HydrophobicContact CG2-CD1 4.35Å; I179-F227 HydrophobicContact CG2-CG 4.22Å; G190-F227 VanDerWaalsContact C-CD2 3.42Å; G190-F227 WeakPolarHBondContact O-CD2 3.38Å; L191-F227 VanDerWaalsContact N-CE2 3.33Å; I202-F227 HydrophobicContact CD1-CE1 4.34Å; I202-F227 HydrophobicContact CG1-CE1 3.89Å; I202-F227 HydrophobicContact CG1-CZ 4.26Å; L222-F227 HydrophobicContact CD1-CZ 4.29Å; P225-F227 HydrophobicContact CB-CE1 4.3Å; P225-F227 HydrophobicContact CB-CE2 4.21Å; P225-F227 HydrophobicContact CB-CZ 4.02Å; P225-F227 HydrophobicContact CG-CE1 4.38Å; P225-F227 HydrophobicContact CG-CE2 3.73Å; P225-F227 HydrophobicContact CG-CZ 3.63Å; F227-F248 HydrophobicContact CD1-CB 3.98Å; F227-F248 HydrophobicContact CD1-CG 4.42Å
228	V	98.1	Very high	95.4	Very high	21 Å²	21	43.8 Å²	43.8	13%	0.127	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	-45.3	-176.3	-178	0	0	0	0	111.5	F247 L309 V312	V228-F247 PolarHBondContact N-O 3.48Å; V228-L309 HydrophobicContact CB-CD2 3.8Å; V228-L309 HydrophobicContact CB-CG 4.29Å; V228-L309 HydrophobicContact CG1-CD2 3.95Å; V228-L309 HydrophobicContact CG1-CG 4.08Å; V228-L309 HydrophobicContact CG2-CB 4.21Å; V228-L309 HydrophobicContact CG2-CD2 3.95Å; V228-L309 HydrophobicContact CG2-CG 4.13Å; V228-V312 HydrophobicContact CG1-CG1 4.29Å
229	G	97.8	Very high	95.5	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.5	-177.1	0	0	0	0	0	113.5	F246 F247	G229-F246 WeakPolarHBondContact O-CA 3.22Å; G229-F247 PolarHBondContact N-O 2.98Å; G229-F247 VanDerWaalsContact N-O 3.17Å; G229-F247 PolarHBondContact O-N 3.12Å
230	S	98.3	Very high	95.7	Very high	7 Å²	7	51.5 Å²	51.5	5%	0.049	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	131.3	173.5	66.4	0	0	0	0	112.2	S180 T181 Y245	S180-S230 VanDerWaalsContact C-OG 3.24Å; S180-S230 PolarHBondContact O-OG 2.8Å; T181-S230 PolarHBondContact N-OG 2.84Å; S230-Y245 CarbonylContact C-O 3.55Å; S230-Y245 VanDerWaalsContact CA-O 3.23Å; S230-Y245 WeakPolarHBondContact CA-O 3.26Å
231	Y	97.8	Very high	95.8	Very high	74 Å²	74	47.4 Å²	47.4	29%	0.29	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	143.9	-174.3	-53.9	-87.6	0	0	0	112.1	V244 Y245 F247 V312 L314	Y231-V244 WeakPolarHBondContact O-CA 3.49Å; Y231-Y245 PolarHBondContact N-O 3.26Å; Y231-Y245 PolarHBondContact O-N 3.25Å; Y231-F247 HydrophobicContact CD2-CD2 4.13Å; Y231-F247 AromaticContact CD2-CE2 3.9Å; Y231-F247 HydrophobicContact CD2-CE2 3.9Å; Y231-F247 HydrophobicContact CE2-CD2 4.31Å; Y231-F247 HydrophobicContact CE2-CE2 4.38Å; Y231-V312 HydrophobicContact CE2-CG1 3.91Å; Y231-V312 PolarHBondContact OH-O 2.87Å; Y231-L314 HydrophobicContact CD1-CD1 4.28Å; Y231-L314 HydrophobicContact CD1-CD2 3.67Å; Y231-L314 HydrophobicContact CD1-CG 4.4Å; Y231-L314 HydrophobicContact CD2-CD1 3.47Å; Y231-L314 VanDerWaalsContact CD2-CD1 3.47Å; Y231-L314 HydrophobicContact CD2-CD2 3.72Å; Y231-L314 HydrophobicContact CD2-CG 4.21Å; Y231-L314 HydrophobicContact CE1-CD1 4.16Å; Y231-L314 HydrophobicContact CE1-CD2 4.29Å; Y231-L314 HydrophobicContact CE2-CD1 3.34Å; Y231-L314 HydrophobicContact CE2-CD2 4.35Å; Y231-L314 HydrophobicContact CE2-CG 4.4Å; Y231-L314 HydrophobicContact CG-CD1 3.96Å; Y231-L314 HydrophobicContact CG-CD2 3.34Å; Y231-L314 HydrophobicContact CG-CG 4.22Å
232	M	97.1	Very high	95.9	Very high	76 Å²	76	48 Å²	48	37%	0.374	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	118.7	166.1	-166.5	-86.5	-80.2	0	0	109.1	I183 N242 K243 V271	I183-M232 HydrophobicContact CD1-CB 3.59Å; I183-M232 HydrophobicContact CD1-CG 3.8Å; I183-M232 HydrophobicContact CG1-CB 4.01Å; I183-M232 HydrophobicContact CG1-CG 4.35Å; I183-M232 HydrophobicContact CG2-CG 4.37Å; M232-N242 HydrophobicContact SD-CB 4.31Å; M232-K243 WeakPolarHBondContact CA-O 3.06Å; M232-V271 HydrophobicContact CG-CG2 4.35Å
233	I	97.1	Very high	95.9	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.4	176.2	-48.7	172.7	0	0	0	107.5	K243 Y245 L314 P323 M346	I233-K243 PolarHBondContact N-O 3.33Å; I233-Y245 HydrophobicContact CB-CD2 3.78Å; I233-Y245 HydrophobicContact CB-CE2 3.79Å; I233-Y245 HydrophobicContact CD1-CD2 3.95Å; I233-Y245 HydrophobicContact CD1-CE2 4.48Å; I233-Y245 HydrophobicContact CD1-CG 4.37Å; I233-Y245 HydrophobicContact CG1-CD2 3.97Å; I233-Y245 HydrophobicContact CG1-CE2 4.46Å; I233-L314 HydrophobicContact CD1-CD2 3.8Å; I233-L314 HydrophobicContact CG1-CD2 4.15Å; I233-P323 HydrophobicContact CD1-CG 4.09Å; I233-P323 HydrophobicContact CG1-CG 4.49Å; I233-P323 HydrophobicContact CG2-CG 4.1Å; I233-M346 HydrophobicContact CB-CE 4.36Å; I233-M346 HydrophobicContact CD1-CE 4.2Å; I233-M346 HydrophobicContact CD1-SD 3.74Å; I233-M346 HydrophobicContact CG2-CE 3.91Å; I233-M346 HydrophobicContact CG2-CG 4.37Å; I233-M346 HydrophobicContact CG2-SD 4.24Å
234	P	94.4	Very high	96.1	Very high	10 Å²	10	45.3 Å²	45.3	7%	0.065	21%	0.21	C	C	.	.			trans	-68.3	137.5	175.5	22.9	-25.9	0	0	0	110.4	N242 H320 K321 R350	P234-N242 WeakPolarHBondContact CB-OD1 3.47Å; P234-H320 WeakPolarHBondContact CG-CD2 3.08Å; P234-K321 HydrophobicContact CB-CG 4.18Å; P234-K321 HydrophobicContact CG-CG 3.87Å; P234-K321 WeakPolarHBondContact O-CB 3.06Å; P234-R350 PolarHBondContact O-NH2 3.39Å; P234-R350 VanDerWaalsContact O-NH2 3.17Å
235	D	91.8	Very high	96.2	Very high	30 Å²	30	39.9 Å²	39.9	16%	0.16	19%	0.185	C	C	.	.	S	Bend	trans	-84	-24.4	172.4	-81.6	-14.2	0	0	0	112.3	K243 Y245 R350	D235-K243 VanDerWaalsContact OD2-CD 3.27Å; D235-K243 WeakPolarHBondContact OD2-CD 3.32Å; D235-K243 VanDerWaalsContact OD2-CE 3.25Å; D235-K243 WeakPolarHBondContact OD2-CE 3.42Å; D235-K243 IonicContact OD2-NZ 3.27Å; D235-K243 PolarHBondContact OD2-NZ 3.08Å; D235-Y245 PolarHBondContact OD1-OH 3.3Å; D235-Y245 PolarHBondContact OD2-OH 3.28Å; D235-R350 IonicContact OD1-CZ 3.57Å; D235-R350 IonicContact OD1-NE 3.27Å; D235-R350 PolarHBondContact OD1-NE 3.42Å; D235-R350 IonicContact OD1-NH2 3.04Å
236	N	92.8	Very high	96.3	Very high	40 Å²	40	39.8 Å²	39.8	21%	0.214	18%	0.184	C	C	.	.	S	Bend	trans	-158.9	-172.2	-179.1	56.4	76.4	0	0	0	110	D238 D241	N236-D238 VanDerWaalsContact C-N 3.34Å; N236-D238 WeakPolarHBondContact OD1-CA 3.37Å; N236-D238 WeakPolarHBondContact OD1-CB 3.37Å; N236-D238 PolarHBondContact OD1-N 3Å; N236-D241 PolarHBondContact ND2-OD2 2.98Å
237	E	92.8	Very high	96.3	Very high	135 Å²	135	36 Å²	36	63%	0.631	17%	0.168	S	C	*	.	S	Bend	trans	-77.3	-16.4	-177.7	-58	-59.6	145.9	0	0	113.8	R239 K321	E237-R239 PolarHBondContact O-N 3.26Å; E237-K321 WeakPolarHBondContact OE1-CE 3.31Å; E237-K321 IonicContact OE1-NZ 2.78Å; E237-K321 PolarHBondContact OE1-NZ 2.72Å
238	D	94.4	Very high	96.4	Very high	26 Å²	26	35.5 Å²	35.5	14%	0.139	17%	0.165	C	C	.	.			trans	-76.7	110.3	178.4	-170.2	1.9	0	0	0	109.8	N236 D240 D241 S384 K385 V386	N236-D238 VanDerWaalsContact C-N 3.34Å; N236-D238 WeakPolarHBondContact OD1-CA 3.37Å; N236-D238 WeakPolarHBondContact OD1-CB 3.37Å; N236-D238 PolarHBondContact OD1-N 3Å; D238-D240 PolarHBondContact O-N 3.12Å; D238-D240 PolarHBondContact OD1-N 3.05Å; D238-D241 HydrophobicContact CB-CB 4.39Å; D238-D241 WeakPolarHBondContact O-CA 3.04Å; D238-D241 WeakPolarHBondContact O-CB 3.25Å; D238-D241 PolarHBondContact O-N 3.06Å; D238-S384 WeakPolarHBondContact OD2-CB 3.32Å; D238-K385 WeakPolarHBondContact OD2-CB 3.27Å; D238-K385 PolarHBondContact OD2-N 3.18Å; D238-V386 HydrophobicContact CB-CG1 3.89Å; D238-V386 HydrophobicContact CB-CG2 4.35Å
239	R	93.8	Very high	96.4	Very high	205 Å²	205	35 Å²	35	77%	0.774	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-61.8	-27.4	-178.4	-66.2	-175.7	176.6	-172.9	-1.2	112.8	E237 D241 N242	E237-R239 PolarHBondContact O-N 3.26Å; R239-D241 PolarHBondContact O-N 3.39Å; R239-N242 VanDerWaalsContact O-CB 3.26Å; R239-N242 WeakPolarHBondContact O-CB 3.31Å; R239-N242 PolarHBondContact O-N 3.31Å; R239-N242 VanDerWaalsContact O-N 3.15Å; R239-N242 PolarHBondContact O-ND2 3.23Å
240	D	94.8	Very high	96.3	Very high	78 Å²	78	35.1 Å²	35.1	42%	0.417	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-71.2	-9.9	175.6	-67.1	-30.5	0	0	0	112	D238 N272 C382	D238-D240 PolarHBondContact O-N 3.12Å; D238-D240 PolarHBondContact OD1-N 3.05Å; D240-N272 VanDerWaalsContact O-CG 3.31Å; D240-N272 PolarHBondContact O-ND2 3.45Å; D240-N272 PolarHBondContact O-OD1 3Å; D240-C382 VanDerWaalsContact O-CB 3.24Å; D240-C382 WeakPolarHBondContact O-CB 3.26Å
241	D	95.6	Very high	96.2	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.043	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-105.6	10	172.7	-158.2	63.7	0	0	0	113.4	N236 D238 R239 K243 C382 S384 V386 N387	N236-D241 PolarHBondContact ND2-OD2 2.98Å; D238-D241 HydrophobicContact CB-CB 4.39Å; D238-D241 WeakPolarHBondContact O-CA 3.04Å; D238-D241 WeakPolarHBondContact O-CB 3.25Å; D238-D241 PolarHBondContact O-N 3.06Å; R239-D241 PolarHBondContact O-N 3.39Å; D241-K243 WeakPolarHBondContact O-CG 3.32Å; D241-K243 PolarHBondContact O-NZ 2.92Å; D241-K243 IonicContact OD1-NZ 2.68Å; D241-K243 PolarHBondContact OD1-NZ 2.82Å; D241-K243 IonicContact OD2-NZ 3.64Å; D241-K243 PolarHBondContact OD2-NZ 2.73Å; D241-C382 HydrophobicContact CB-CB 4.5Å; D241-C382 WeakPolarHBondContact OD1-CB 3.05Å; D241-C382 PolarHBondContact OD1-SG 3.18Å; D241-S384 PolarHBondContact OD1-OG 2.88Å; D241-V386 HydrophobicContact CB-CG2 3.72Å; D241-N387 PolarHBondContact OD1-ND2 2.64Å
242	N	96.4	Very high	96	Very high	26 Å²	26	34.8 Å²	34.8	14%	0.139	16%	0.163	C	C	.	.			trans	-59.7	138.6	173.3	-75.6	-13.1	0	0	0	110.9	M232 P234 R239 V271	M232-N242 HydrophobicContact SD-CB 4.31Å; P234-N242 WeakPolarHBondContact CB-OD1 3.47Å; R239-N242 VanDerWaalsContact O-CB 3.26Å; R239-N242 WeakPolarHBondContact O-CB 3.31Å; R239-N242 PolarHBondContact O-N 3.31Å; R239-N242 VanDerWaalsContact O-N 3.15Å; R239-N242 PolarHBondContact O-ND2 3.23Å; N242-V271 HydrophobicContact CB-CB 4.26Å; N242-V271 HydrophobicContact CB-CG2 3.89Å; N242-V271 WeakPolarHBondContact O-CG2 3.38Å; N242-V271 PolarHBondContact O-N 3.18Å
243	K	97.6	Very high	95.6	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.022	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147.9	-178.7	-60.4	-174.7	-170.4	63.6	0	111.9	M232 I233 D235 D241 Y245 L269	M232-K243 WeakPolarHBondContact CA-O 3.06Å; I233-K243 PolarHBondContact N-O 3.33Å; D235-K243 VanDerWaalsContact OD2-CD 3.27Å; D235-K243 WeakPolarHBondContact OD2-CD 3.32Å; D235-K243 VanDerWaalsContact OD2-CE 3.25Å; D235-K243 WeakPolarHBondContact OD2-CE 3.42Å; D235-K243 IonicContact OD2-NZ 3.27Å; D235-K243 PolarHBondContact OD2-NZ 3.08Å; D241-K243 WeakPolarHBondContact O-CG 3.32Å; D241-K243 PolarHBondContact O-NZ 2.92Å; D241-K243 IonicContact OD1-NZ 2.68Å; D241-K243 PolarHBondContact OD1-NZ 2.82Å; D241-K243 IonicContact OD2-NZ 3.64Å; D241-K243 PolarHBondContact OD2-NZ 2.73Å; K243-Y245 HydrophobicContact CB-CD2 4.41Å; K243-Y245 HydrophobicContact CB-CE2 3.8Å; K243-L269 CarbonylContact C-O 3.59Å; K243-L269 WeakPolarHBondContact CA-O 3.42Å; K243-L269 WeakPolarHBondContact CB-O 3.14Å
244	V	98.2	Very high	95.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.9	168.9	-169.4	0	0	0	0	108	T181 I183 F188 Y231 F246 R268 L269 V271	T181-V244 HydrophobicContact CG2-CG1 3.89Å; I183-V244 HydrophobicContact CD1-CG1 4.42Å; I183-V244 HydrophobicContact CD1-CG2 3.37Å; F188-V244 HydrophobicContact CB-CG1 4.44Å; F188-V244 HydrophobicContact CD1-CB 4.43Å; F188-V244 HydrophobicContact CD1-CG2 3.9Å; F188-V244 HydrophobicContact CD2-CG2 4.45Å; F188-V244 HydrophobicContact CE1-CG2 3.89Å; F188-V244 HydrophobicContact CE2-CG2 4.47Å; F188-V244 HydrophobicContact CG-CG2 4.17Å; F188-V244 HydrophobicContact CZ-CG2 4.19Å; Y231-V244 WeakPolarHBondContact O-CA 3.49Å; V244-F246 HydrophobicContact CB-CE2 4.23Å; V244-F246 HydrophobicContact CG1-CD2 4.17Å; V244-F246 HydrophobicContact CG1-CE2 3.59Å; V244-F246 HydrophobicContact CG1-CZ 4.18Å; V244-R268 CarbonylContact O-C 3.53Å; V244-R268 VanDerWaalsContact O-CA 3.32Å; V244-R268 WeakPolarHBondContact O-CA 3.04Å; V244-L269 PolarHBondContact N-O 3.43Å; V244-L269 PolarHBondContact O-N 2.78Å; V244-V271 HydrophobicContact CG2-CG2 3.59Å
245	Y	98.6	Very high	94.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.6	177.7	-68.2	-93.9	0	0	0	109.5	S230 Y231 I233 D235 K243 V266 G267 R268 M346 I349 F353	S230-Y245 CarbonylContact C-O 3.55Å; S230-Y245 VanDerWaalsContact CA-O 3.23Å; S230-Y245 WeakPolarHBondContact CA-O 3.26Å; Y231-Y245 PolarHBondContact N-O 3.26Å; Y231-Y245 PolarHBondContact O-N 3.25Å; I233-Y245 HydrophobicContact CB-CD2 3.78Å; I233-Y245 HydrophobicContact CB-CE2 3.79Å; I233-Y245 HydrophobicContact CD1-CD2 3.95Å; I233-Y245 HydrophobicContact CD1-CE2 4.48Å; I233-Y245 HydrophobicContact CD1-CG 4.37Å; I233-Y245 HydrophobicContact CG1-CD2 3.97Å; I233-Y245 HydrophobicContact CG1-CE2 4.46Å; D235-Y245 PolarHBondContact OD1-OH 3.3Å; D235-Y245 PolarHBondContact OD2-OH 3.28Å; K243-Y245 HydrophobicContact CB-CD2 4.41Å; K243-Y245 HydrophobicContact CB-CE2 3.8Å; Y245-V266 HydrophobicContact CD1-CG1 3.86Å; Y245-G267 CarbonylContact C-O 3.6Å; Y245-G267 VanDerWaalsContact CA-O 3.25Å; Y245-G267 WeakPolarHBondContact CA-O 3.48Å; Y245-R268 HydrophobicContact CD1-CB 3.83Å; Y245-R268 HydrophobicContact CE1-CB 3.75Å; Y245-M346 HydrophobicContact CE1-CE 4.14Å; Y245-M346 HydrophobicContact CE2-CE 3.91Å; Y245-I349 HydrophobicContact CD1-CG2 4.43Å; Y245-I349 HydrophobicContact CE1-CG2 3.93Å; Y245-F353 HydrophobicContact CD1-CE2 4.33Å; Y245-F353 HydrophobicContact CE1-CD2 4.41Å; Y245-F353 AromaticContact CE1-CE2 3.9Å; Y245-F353 HydrophobicContact CE1-CE2 3.9Å
246	F	98.8	Very high	93.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.8	175.9	-75.5	-94.6	0	0	0	109.5	I179 F188 I202 G229 V244 F248 V266 G267 L269	I179-F246 HydrophobicContact CG2-CD1 4.02Å; I179-F246 HydrophobicContact CG2-CE1 4.14Å; F188-F246 HydrophobicContact CB-CZ 4.07Å; I202-F246 HydrophobicContact CD1-CB 4.4Å; I202-F246 HydrophobicContact CD1-CD1 4.46Å; I202-F246 HydrophobicContact CD1-CD2 4.26Å; I202-F246 HydrophobicContact CD1-CG 4.12Å; I202-F246 HydrophobicContact CG1-CD1 4.45Å; I202-F246 HydrophobicContact CG2-CD2 4.21Å; I202-F246 HydrophobicContact CG2-CE1 4.03Å; I202-F246 HydrophobicContact CG2-CE2 3.62Å; I202-F246 HydrophobicContact CG2-CZ 3.5Å; I202-F246 VanDerWaalsContact CG2-CZ 3.5Å; G229-F246 WeakPolarHBondContact O-CA 3.22Å; V244-F246 HydrophobicContact CB-CE2 4.23Å; V244-F246 HydrophobicContact CG1-CD2 4.17Å; V244-F246 HydrophobicContact CG1-CE2 3.59Å; V244-F246 HydrophobicContact CG1-CZ 4.18Å; F246-F248 HydrophobicContact CB-CD1 4.22Å; F246-F248 HydrophobicContact CB-CE1 4.44Å; F246-V266 CarbonylContact O-C 3.54Å; F246-V266 WeakPolarHBondContact O-CA 3.21Å; F246-G267 PolarHBondContact N-O 2.69Å; F246-G267 PolarHBondContact O-N 2.51Å; F246-L269 HydrophobicContact CD2-CD1 4.23Å; F246-L269 HydrophobicContact CE2-CD1 3.87Å
247	F	98.8	Very high	92.3	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.7	176.9	-61.8	-95.6	0	0	0	108.4	V228 G229 Y231 V266 L292 L309 V312 I325	V228-F247 PolarHBondContact N-O 3.48Å; G229-F247 PolarHBondContact N-O 2.98Å; G229-F247 VanDerWaalsContact N-O 3.17Å; G229-F247 PolarHBondContact O-N 3.12Å; Y231-F247 HydrophobicContact CD2-CD2 4.13Å; Y231-F247 AromaticContact CD2-CE2 3.9Å; Y231-F247 HydrophobicContact CD2-CE2 3.9Å; Y231-F247 HydrophobicContact CE2-CD2 4.31Å; Y231-F247 HydrophobicContact CE2-CE2 4.38Å; F247-V266 HydrophobicContact CD1-CG1 4.42Å; F247-V266 HydrophobicContact CD1-CG2 3.73Å; F247-V266 HydrophobicContact CE1-CB 4.39Å; F247-V266 HydrophobicContact CE1-CG1 4Å; F247-V266 HydrophobicContact CE1-CG2 3.56Å; F247-V266 HydrophobicContact CZ-CG1 4.19Å; F247-L292 HydrophobicContact CD1-CD2 4.4Å; F247-L309 HydrophobicContact CB-CD2 3.86Å; F247-V312 HydrophobicContact CB-CG1 4.11Å; F247-V312 HydrophobicContact CD1-CG2 4.15Å; F247-V312 HydrophobicContact CD2-CG1 4.31Å; F247-V312 HydrophobicContact CD2-CG2 4.44Å; F247-V312 HydrophobicContact CE1-CG2 4.36Å; F247-V312 HydrophobicContact CG-CG1 4.21Å; F247-V312 HydrophobicContact CG-CG2 4.2Å; F247-I325 HydrophobicContact CE1-CG2 4.07Å; F247-I325 HydrophobicContact CZ-CD1 4.04Å; F247-I325 HydrophobicContact CZ-CG2 4.26Å
248	F	98.8	Very high	91.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	159.9	-174.9	60.9	-84.2	0	0	0	111	L222 P225 K226 F227 F246 E250 R265 F287 K289	L222-F248 HydrophobicContact CD2-CD2 4.39Å; L222-F248 HydrophobicContact CD2-CE1 4.42Å; L222-F248 HydrophobicContact CD2-CE2 3.68Å; L222-F248 HydrophobicContact CD2-CZ 3.7Å; P225-F248 HydrophobicContact CB-CD2 3.9Å; K226-F248 CarbonylContact O-C 3.6Å; K226-F248 WeakPolarHBondContact O-CA 3.37Å; K226-F248 VanDerWaalsContact O-CB 3.26Å; K226-F248 WeakPolarHBondContact O-CB 3.48Å; F227-F248 HydrophobicContact CD1-CB 3.98Å; F227-F248 HydrophobicContact CD1-CG 4.42Å; F246-F248 HydrophobicContact CB-CD1 4.22Å; F246-F248 HydrophobicContact CB-CE1 4.44Å; F248-E250 HydrophobicContact CD2-CB 4.22Å; F248-E250 HydrophobicContact CD2-CG 4.48Å; F248-E250 HydrophobicContact CE2-CB 4.22Å; F248-E250 HydrophobicContact CE2-CG 4.12Å; F248-R265 HydrophobicContact CD1-CB 4.22Å; F248-R265 HydrophobicContact CD2-CB 4.05Å; F248-R265 HydrophobicContact CD2-CG 4.26Å; F248-R265 HydrophobicContact CE1-CB 3.87Å; F248-R265 HydrophobicContact CE2-CB 3.7Å; F248-R265 HydrophobicContact CE2-CG 3.75Å; F248-R265 HydrophobicContact CG-CB 4.31Å; F248-R265 HydrophobicContact CZ-CB 3.59Å; F248-R265 HydrophobicContact CZ-CG 4.02Å; F248-R265 PolarHBondContact N-O 3.36Å; F248-R265 PolarHBondContact O-N 3.46Å; F248-F287 HydrophobicContact CZ-CZ 4.49Å; F248-K289 HydrophobicContact CZ-CB 4.49Å; F248-K289 HydrophobicContact CZ-CD 4.25Å
249	T	98.3	Very high	89.6	Confident	9 Å²	9	47 Å²	47	6%	0.055	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	152.6	164.4	52.6	0	0	0	0	109.8	P225 K226 I262 Y263 T264 L309	P225-T249 CarbonylContact C-O 3.43Å; P225-T249 WeakPolarHBondContact CA-O 3.41Å; K226-T249 WeakPolarHBondContact CB-OG1 3.45Å; K226-T249 PolarHBondContact N-O 2.91Å; K226-T249 PolarHBondContact O-N 3.39Å; T249-I262 HydrophobicContact CG2-CG2 4.48Å; T249-Y263 WeakPolarHBondContact CA-O 3.33Å; T249-T264 WeakPolarHBondContact CG2-OG1 3.49Å; T249-L309 HydrophobicContact CG2-CB 3.79Å
250	E	96.8	Very high	88.8	Confident	4 Å²	4	44 Å²	44	2%	0.019	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	166.8	175.3	67.4	174.9	167.5	0	0	110.6	K223 F248 A252 I262 Y263 R265 K289	K223-E250 PolarHBondContact N-OE2 2.87Å; K223-E250 WeakPolarHBondContact O-CB 3.45Å; F248-E250 HydrophobicContact CD2-CB 4.22Å; F248-E250 HydrophobicContact CD2-CG 4.48Å; F248-E250 HydrophobicContact CE2-CB 4.22Å; F248-E250 HydrophobicContact CE2-CG 4.12Å; E250-A252 PolarHBondContact O-N 2.6Å; E250-I262 WeakPolarHBondContact O-CA 3.37Å; E250-Y263 PolarHBondContact N-O 3.48Å; E250-Y263 PolarHBondContact O-N 3.33Å; E250-R265 HydrophobicContact CG-CG 3.87Å; E250-R265 VanDerWaalsContact OE1-CG 3.31Å; E250-R265 WeakPolarHBondContact OE1-CG 3.28Å; E250-R265 IonicContact OE1-CZ 3.3Å; E250-R265 IonicContact OE1-NE 2.84Å; E250-R265 PolarHBondContact OE1-NE 3.29Å; E250-R265 IonicContact OE1-NH2 2.61Å; E250-K289 WeakPolarHBondContact OE1-CD 3.31Å; E250-K289 WeakPolarHBondContact OE1-CE 3.01Å; E250-K289 IonicContact OE1-NZ 3.88Å; E250-K289 PolarHBondContact OE1-NZ 3.25Å; E250-K289 IonicContact OE2-NZ 3.98Å; E250-K289 PolarHBondContact OE2-NZ 2.7Å
251	K	95.1	Very high	88.5	Confident	64 Å²	64	40.9 Å²	40.9	28%	0.278	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	123.8	169.9	-69.4	179.3	176.7	171	0	110	K223 E224 L253 A261	K223-K251 HydrophobicContact CB-CB 4.47Å; K223-K251 HydrophobicContact CD-CB 3.94Å; K223-K251 HydrophobicContact CG-CB 3.98Å; K223-K251 PolarHBondContact O-N 2.82Å; E224-K251 HydrophobicContact CB-CD 4.48Å; E224-K251 IonicContact OE1-NZ 3.15Å; E224-K251 PolarHBondContact OE1-NZ 2.91Å; E224-K251 WeakPolarHBondContact OE2-CE 3.37Å; E224-K251 IonicContact OE2-NZ 2.89Å; E224-K251 PolarHBondContact OE2-NZ 2.71Å; K251-L253 PolarHBondContact O-N 2.81Å; K251-A261 WeakPolarHBondContact CA-O 3.23Å
252	A	93.3	Very high	88.5	Confident	10 Å²	10	42.8 Å²	42.8	8%	0.083	23%	0.233	C	C	.	.			trans	-79.2	118.8	-175.8	0	0	0	0	0	111.6	E250 E254 A255 A261 Y263	E250-A252 PolarHBondContact O-N 2.6Å; A252-E254 VanDerWaalsContact C-N 3.27Å; A252-A255 HydrophobicContact CB-CB 4.23Å; A252-A261 HydrophobicContact CB-CB 4.24Å; A252-A261 PolarHBondContact N-O 3.25Å; A252-Y263 HydrophobicContact CB-CD1 4.46Å; A252-Y263 HydrophobicContact CB-CD2 3.26Å; A252-Y263 HydrophobicContact CB-CE2 3.62Å; A252-Y263 HydrophobicContact CB-CG 3.72Å
253	L	89.7	Confident	88.5	Confident	57 Å²	57	43.2 Å²	43.2	30%	0.298	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.4	175.2	-68.8	180	0	0	0	112.7	E219 R220 K223 K251 W367	E219-L253 HydrophobicContact CB-CD1 4.17Å; E219-L253 WeakPolarHBondContact O-CD1 3.38Å; R220-L253 HydrophobicContact CG-CD1 4.49Å; K223-L253 HydrophobicContact CD-CD2 3.51Å; K223-L253 HydrophobicContact CD-CG 4.08Å; K251-L253 PolarHBondContact O-N 2.81Å; L253-W367 HydrophobicContact CB-CZ2 4.09Å; L253-W367 PolarHBondContact O-NE1 2.83Å
254	E	90.1	Very high	88.5	Confident	35 Å²	35	43 Å²	43	16%	0.164	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	2.8	-178.1	78.8	-83.7	-153	0	0	115.1	A252 E256 Y263 R265 W367 L410	A252-E254 VanDerWaalsContact C-N 3.27Å; E254-E256 PolarHBondContact O-N 3.1Å; E254-E256 VanDerWaalsContact O-N 3.12Å; E254-Y263 HydrophobicContact CG-CE2 4.18Å; E254-Y263 VanDerWaalsContact OE1-CD2 3.32Å; E254-Y263 WeakPolarHBondContact OE1-CD2 3.5Å; E254-R265 IonicContact OE1-CZ 2.74Å; E254-R265 IonicContact OE1-NH1 2.71Å; E254-R265 PolarHBondContact OE1-NH1 2.99Å; E254-R265 IonicContact OE1-NH2 3.95Å; E254-R265 PolarHBondContact OE1-NH2 2.95Å; E254-R265 IonicContact OE2-CZ 2.78Å; E254-R265 IonicContact OE2-NH2 3.81Å; E254-R265 PolarHBondContact OE2-NH2 3.16Å; E254-W367 VanDerWaalsContact CA-NE1 3.35Å; E254-W367 HydrophobicContact CB-CB 4.09Å; E254-W367 HydrophobicContact CB-CD2 3.88Å; E254-W367 HydrophobicContact CB-CG 3.58Å; E254-L410 HydrophobicContact CB-CD2 4.41Å; E254-L410 HydrophobicContact CG-CD2 4.43Å
255	A	85.4	Confident	88.5	Confident	19 Å²	19	43.1 Å²	43.1	16%	0.157	23%	0.232	C	C	.	.			trans	-80	94.1	175.2	0	0	0	0	0	110.6	A252 N257 N258 A261	A252-A255 HydrophobicContact CB-CB 4.23Å; A255-N257 PolarHBondContact O-N 2.77Å; A255-N257 VanDerWaalsContact O-N 3.16Å; A255-N258 PolarHBondContact O-N 3.21Å; A255-A261 HydrophobicContact CB-CB 3.3Å
256	E	65.5	Low	88.5	Confident	119 Å²	119	43.1 Å²	43.1	56%	0.556	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.5	-172	-70.1	172.9	179	0	0	114.7	E254 H366 W367	E254-E256 PolarHBondContact O-N 3.1Å; E254-E256 VanDerWaalsContact O-N 3.12Å; E256-H366 WeakPolarHBondContact OE1-CB 3.18Å; E256-H366 IonicContact OE1-CG 3.69Å; E256-H366 IonicContact OE1-ND1 3.53Å; E256-W367 PolarHBondContact OE1-N 2.86Å
257	N	64.9	Low	88.5	Confident	168 Å²	168	43.1 Å²	43.1	90%	0.898	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.6	2.3	-176.3	-68.5	-39.3	0	0	0	114.9	A255	A255-N257 PolarHBondContact O-N 2.77Å; A255-N257 VanDerWaalsContact O-N 3.16Å
258	N	67.4	Low	88.5	Confident	89 Å²	89	43.4 Å²	43.4	48%	0.476	23%	0.233	S	C	.	.			trans	-141.4	95.5	-178.6	-173.9	-4.3	0	0	0	110.1	A255 H260 A261	A255-N258 PolarHBondContact O-N 3.21Å; N258-H260 PolarHBondContact O-N 2.9Å; N258-H260 PolarHBondContact OD1-N 3.39Å; N258-H260 VanDerWaalsContact OD1-N 3.12Å; N258-A261 HydrophobicContact CB-CB 4.15Å; N258-A261 PolarHBondContact O-N 3.01Å; N258-A261 PolarHBondContact OD1-N 3.03Å
259	A	62.8	Low	88.4	Confident	89 Å²	89	43.4 Å²	43.4	74%	0.736	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-10.1	179.6	0	0	0	0	0	114.1
260	H	77.2	Confident	88.4	Confident	144 Å²	144	43 Å²	43	67%	0.667	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.2	19.1	180	-57.8	-53.7	0	0	0	113.3	N258 I262	N258-H260 PolarHBondContact O-N 2.9Å; N258-H260 PolarHBondContact OD1-N 3.39Å; N258-H260 VanDerWaalsContact OD1-N 3.12Å; H260-I262 PolarHBondContact O-N 3.03Å
261	A	90.2	Very high	88.3	Confident	11 Å²	11	43.9 Å²	43.9	9%	0.091	24%	0.237	C	C	.	.			trans	-62	133.4	173.6	0	0	0	0	0	110.7	K251 A252 A255 N258 Y263	K251-A261 WeakPolarHBondContact CA-O 3.23Å; A252-A261 HydrophobicContact CB-CB 4.24Å; A252-A261 PolarHBondContact N-O 3.25Å; A255-A261 HydrophobicContact CB-CB 3.3Å; N258-A261 HydrophobicContact CB-CB 4.15Å; N258-A261 PolarHBondContact O-N 3.01Å; N258-A261 PolarHBondContact OD1-N 3.03Å; A261-Y263 HydrophobicContact CB-CE1 4.47Å
262	I	94.3	Very high	88.4	Confident	48 Å²	48	42.4 Å²	42.4	25%	0.246	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.4	171.9	-63.3	170.7	0	0	0	106.3	T249 E250 H260 D307 E308 T332	T249-I262 HydrophobicContact CG2-CG2 4.48Å; E250-I262 WeakPolarHBondContact O-CA 3.37Å; H260-I262 PolarHBondContact O-N 3.03Å; I262-D307 WeakPolarHBondContact O-CB 3.05Å; I262-E308 HydrophobicContact CG2-CG 4.21Å; I262-T332 HydrophobicContact CB-CG2 3.99Å; I262-T332 HydrophobicContact CD1-CG2 4.49Å
263	Y	96.6	Very high	88.5	Confident	36 Å²	36	42 Å²	42	14%	0.141	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.7	172	-72.1	-22	0	0	0	111.4	T249 E250 A252 E254 A261 R291 D307	T249-Y263 WeakPolarHBondContact CA-O 3.33Å; E250-Y263 PolarHBondContact N-O 3.48Å; E250-Y263 PolarHBondContact O-N 3.33Å; A252-Y263 HydrophobicContact CB-CD1 4.46Å; A252-Y263 HydrophobicContact CB-CD2 3.26Å; A252-Y263 HydrophobicContact CB-CE2 3.62Å; A252-Y263 HydrophobicContact CB-CG 3.72Å; E254-Y263 HydrophobicContact CG-CE2 4.18Å; E254-Y263 VanDerWaalsContact OE1-CD2 3.32Å; E254-Y263 WeakPolarHBondContact OE1-CD2 3.5Å; A261-Y263 HydrophobicContact CB-CE1 4.47Å; Y263-R291 HydrophobicContact CD2-CG 4.35Å; Y263-R291 HydrophobicContact CG-CG 4.37Å; Y263-R291 VanDerWaalsContact CZ-CZ 3.41Å; Y263-R291 VanDerWaalsContact CZ-NH1 3.33Å; Y263-R291 PolarHBondContact OH-NH1 2.73Å; Y263-D307 HydrophobicContact CD1-CB 4.35Å
264	T	98.4	Very high	88.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	139.5	166.1	-59.8	0	0	0	0	110.8	T249 L292 D307 L309 F329	T249-T264 WeakPolarHBondContact CG2-OG1 3.49Å; T264-L292 HydrophobicContact CG2-CB 3.9Å; T264-L292 HydrophobicContact CG2-CD2 3.98Å; T264-L292 HydrophobicContact CG2-CG 4.47Å; T264-L292 PolarHBondContact O-N 2.66Å; T264-D307 PolarHBondContact N-O 3.07Å; T264-D307 PolarHBondContact OG1-O 3.44Å; T264-L309 HydrophobicContact CG2-CB 3.71Å; T264-L309 HydrophobicContact CG2-CD1 4.33Å; T264-L309 HydrophobicContact CG2-CD2 3.91Å; T264-L309 HydrophobicContact CG2-CG 4.21Å; T264-L309 PolarHBondContact OG1-N 3.05Å; T264-F329 HydrophobicContact CG2-CE1 3.81Å
265	R	98.4	Very high	89.1	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.3	-179.2	-58.1	-59.7	-166.8	-168.3	-6.1	112.1	F248 E250 E254 A290	F248-R265 HydrophobicContact CD1-CB 4.22Å; F248-R265 HydrophobicContact CD2-CB 4.05Å; F248-R265 HydrophobicContact CD2-CG 4.26Å; F248-R265 HydrophobicContact CE1-CB 3.87Å; F248-R265 HydrophobicContact CE2-CB 3.7Å; F248-R265 HydrophobicContact CE2-CG 3.75Å; F248-R265 HydrophobicContact CG-CB 4.31Å; F248-R265 HydrophobicContact CZ-CB 3.59Å; F248-R265 HydrophobicContact CZ-CG 4.02Å; F248-R265 PolarHBondContact N-O 3.36Å; F248-R265 PolarHBondContact O-N 3.46Å; E250-R265 HydrophobicContact CG-CG 3.87Å; E250-R265 VanDerWaalsContact OE1-CG 3.31Å; E250-R265 WeakPolarHBondContact OE1-CG 3.28Å; E250-R265 IonicContact OE1-CZ 3.3Å; E250-R265 IonicContact OE1-NE 2.84Å; E250-R265 PolarHBondContact OE1-NE 3.29Å; E250-R265 IonicContact OE1-NH2 2.61Å; E254-R265 IonicContact OE1-CZ 2.74Å; E254-R265 IonicContact OE1-NH1 2.71Å; E254-R265 PolarHBondContact OE1-NH1 2.99Å; E254-R265 IonicContact OE1-NH2 3.95Å; E254-R265 PolarHBondContact OE1-NH2 2.95Å; E254-R265 IonicContact OE2-CZ 2.78Å; E254-R265 IonicContact OE2-NH2 3.81Å; E254-R265 PolarHBondContact OE2-NH2 3.16Å; R265-A290 VanDerWaalsContact CA-O 3.32Å; R265-A290 WeakPolarHBondContact CA-O 3.03Å
266	V	98.8	Very high	89.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.2	154.2	-172.4	0	0	0	0	107.1	Y245 F246 F247 K289 A290 L292 I349 F353 I415	Y245-V266 HydrophobicContact CD1-CG1 3.86Å; F246-V266 CarbonylContact O-C 3.54Å; F246-V266 WeakPolarHBondContact O-CA 3.21Å; F247-V266 HydrophobicContact CD1-CG1 4.42Å; F247-V266 HydrophobicContact CD1-CG2 3.73Å; F247-V266 HydrophobicContact CE1-CB 4.39Å; F247-V266 HydrophobicContact CE1-CG1 4Å; F247-V266 HydrophobicContact CE1-CG2 3.56Å; F247-V266 HydrophobicContact CZ-CG1 4.19Å; V266-K289 CarbonylContact O-C 3.52Å; V266-K289 VanDerWaalsContact O-CA 3.26Å; V266-K289 WeakPolarHBondContact O-CA 3.49Å; V266-A290 PolarHBondContact N-O 2.78Å; V266-A290 PolarHBondContact O-N 2.92Å; V266-L292 HydrophobicContact CG2-CB 4.16Å; V266-L292 HydrophobicContact CG2-CD1 3.98Å; V266-L292 HydrophobicContact CG2-CD2 3.94Å; V266-L292 HydrophobicContact CG2-CG 4.26Å; V266-I349 HydrophobicContact CG1-CG2 4.46Å; V266-F353 HydrophobicContact CB-CZ 4.45Å; V266-F353 HydrophobicContact CG1-CE2 4.25Å; V266-F353 HydrophobicContact CG1-CZ 4.28Å; V266-F353 WeakPolarHBondContact O-CZ 3.35Å; V266-I415 HydrophobicContact CB-CD1 4.24Å; V266-I415 HydrophobicContact CG2-CD1 4.12Å
267	G	98.4	Very high	90.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	149	167.1	0	0	0	0	0	110.8	Y245 F246 L288	Y245-G267 CarbonylContact C-O 3.6Å; Y245-G267 VanDerWaalsContact CA-O 3.25Å; Y245-G267 WeakPolarHBondContact CA-O 3.48Å; F246-G267 PolarHBondContact N-O 2.69Å; F246-G267 PolarHBondContact O-N 2.51Å; G267-L288 CarbonylContact C-O 3.54Å; G267-L288 VanDerWaalsContact CA-O 3.22Å; G267-L288 WeakPolarHBondContact CA-O 3.49Å
268	R	97.8	Very high	92.2	Very high	7 Å²	7	38.9 Å²	38.9	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.3	172.6	77.5	174.1	-171.6	-178.9	-3.3	112.1	V244 Y245 F287 L288 F353	V244-R268 CarbonylContact O-C 3.53Å; V244-R268 VanDerWaalsContact O-CA 3.32Å; V244-R268 WeakPolarHBondContact O-CA 3.04Å; Y245-R268 HydrophobicContact CD1-CB 3.83Å; Y245-R268 HydrophobicContact CE1-CB 3.75Å; R268-F287 WeakPolarHBondContact O-CA 3.34Å; R268-L288 HydrophobicContact CG-CB 4.36Å; R268-L288 PolarHBondContact N-O 3.18Å; R268-L288 PolarHBondContact O-N 3.35Å; R268-F353 HydrophobicContact CB-CE1 4.33Å; R268-F353 HydrophobicContact CB-CE2 4.13Å; R268-F353 HydrophobicContact CB-CZ 3.9Å; R268-F353 HydrophobicContact CG-CD1 3.97Å; R268-F353 HydrophobicContact CG-CD2 4.34Å; R268-F353 HydrophobicContact CG-CE1 3.73Å; R268-F353 HydrophobicContact CG-CE2 4.11Å; R268-F353 HydrophobicContact CG-CG 4.28Å; R268-F353 HydrophobicContact CG-CZ 3.8Å; R268-F353 PolarHBondContact NH2-O 2.94Å
269	L	97.3	Very high	93.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146.7	178.9	-72.4	164.6	0	0	0	110.3	I202 K243 V244 F246 W284 F287	I202-L269 HydrophobicContact CG2-CD1 3.58Å; K243-L269 CarbonylContact C-O 3.59Å; K243-L269 WeakPolarHBondContact CA-O 3.42Å; K243-L269 WeakPolarHBondContact CB-O 3.14Å; V244-L269 PolarHBondContact N-O 3.43Å; V244-L269 PolarHBondContact O-N 2.78Å; F246-L269 HydrophobicContact CD2-CD1 4.23Å; F246-L269 HydrophobicContact CE2-CD1 3.87Å; L269-W284 HydrophobicContact CD1-CD2 4.19Å; L269-W284 HydrophobicContact CD1-CZ2 4.09Å; L269-W284 HydrophobicContact CD2-CB 3.78Å; L269-W284 HydrophobicContact CD2-CD2 3.58Å; L269-W284 HydrophobicContact CD2-CE3 3.84Å; L269-W284 HydrophobicContact CD2-CG 3.56Å; L269-W284 HydrophobicContact CG-CD2 4.49Å; L269-F287 HydrophobicContact CD1-CD2 4.35Å; L269-F287 HydrophobicContact CD2-CB 3.57Å; L269-F287 HydrophobicContact CD2-CD2 3.71Å; L269-F287 HydrophobicContact CD2-CG 4.13Å; L269-F287 HydrophobicContact CG-CD2 3.89Å
270	C	97.3	Very high	94.9	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	131.4	168.4	-67.1	0	0	0	0	110.6	N272 D273 T286 C382	C270-N272 VanDerWaalsContact C-N 3.25Å; C270-N272 PolarHBondContact O-N 3.48Å; C270-D273 HydrophobicContact CB-CB 4.2Å; C270-D273 WeakPolarHBondContact O-CB 3.37Å; C270-D273 PolarHBondContact O-N 3.01Å; C270-T286 HydrophobicContact CB-CG2 4.01Å; C270-T286 PolarHBondContact N-OG1 2.93Å; C270-T286 VanDerWaalsContact N-OG1 3.15Å; C270-C382 HydrophobicContact CB-CB 3.68Å; C270-C382 WeakPolarHBondContact CB-SG 3.41Å; C270-C382 WeakPolarHBondContact SG-CA 3.22Å; C270-C382 WeakPolarHBondContact SG-CB 3.49Å; C270-C382 PolarHBondContact SG-N 2.7Å; C270-C382 CovalentContact SG-SG 2.03Å; C270-C382 PolarHBondContact SG-SG 2.75Å
271	V	96.3	Very high	95.8	Very high	22 Å²	22	29.4 Å²	29.4	13%	0.133	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-39.5	-179.7	172.5	0	0	0	0	111	I183 F188 R204 M232 N242 V244 D273	I183-V271 HydrophobicContact CD1-CG2 4.47Å; F188-V271 HydrophobicContact CZ-CG1 4.12Å; R204-V271 PolarHBondContact NH1-O 3.22Å; M232-V271 HydrophobicContact CG-CG2 4.35Å; N242-V271 HydrophobicContact CB-CB 4.26Å; N242-V271 HydrophobicContact CB-CG2 3.89Å; N242-V271 WeakPolarHBondContact O-CG2 3.38Å; N242-V271 PolarHBondContact O-N 3.18Å; V244-V271 HydrophobicContact CG2-CG2 3.59Å; V271-D273 VanDerWaalsContact C-N 3.31Å; V271-D273 PolarHBondContact O-N 3.08Å
272	N	95.3	Very high	95.9	Very high	33 Å²	33	32.7 Å²	32.7	18%	0.176	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	7.8	-177.1	73.1	-14.8	0	0	0	114.9	D240 C270 V274 A383	D240-N272 VanDerWaalsContact O-CG 3.31Å; D240-N272 PolarHBondContact O-ND2 3.45Å; D240-N272 PolarHBondContact O-OD1 3Å; C270-N272 VanDerWaalsContact C-N 3.25Å; C270-N272 PolarHBondContact O-N 3.48Å; N272-V274 PolarHBondContact O-N 2.96Å; N272-A383 PolarHBondContact ND2-O 2.7Å
273	D	96.7	Very high	96.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.			trans	-68.3	129.7	-179.6	-173.4	-0.7	0	0	0	111	R204 C270 V271 G275 W284 S285 T286 T394	R204-D273 PolarHBondContact NH1-O 2.94Å; R204-D273 PolarHBondContact NH2-O 2.88Å; C270-D273 HydrophobicContact CB-CB 4.2Å; C270-D273 WeakPolarHBondContact O-CB 3.37Å; C270-D273 PolarHBondContact O-N 3.01Å; V271-D273 VanDerWaalsContact C-N 3.31Å; V271-D273 PolarHBondContact O-N 3.08Å; D273-G275 PolarHBondContact OD1-N 3.45Å; D273-W284 HydrophobicContact CB-CE3 3.95Å; D273-W284 HydrophobicContact CB-CZ3 3.96Å; D273-S285 VanDerWaalsContact CG-OG 3.24Å; D273-S285 PolarHBondContact OD1-OG 2.89Å; D273-S285 PolarHBondContact OD2-N 2.74Å; D273-S285 PolarHBondContact OD2-OG 2.04Å; D273-T286 HydrophobicContact CB-CG2 4.22Å; D273-T286 WeakPolarHBondContact OD2-CB 3.44Å; D273-T286 WeakPolarHBondContact OD2-CG2 3.29Å; D273-T286 PolarHBondContact OD2-N 2.96Å; D273-T286 PolarHBondContact OD2-OG1 3.3Å; D273-T394 HydrophobicContact CB-CG2 4.33Å; D273-T394 PolarHBondContact OD1-OG1 3.43Å
274	V	95.7	Very high	96.1	Very high	21 Å²	21	31.5 Å²	31.5	13%	0.127	15%	0.151	C	C	.	.			trans	-118.8	14.2	178.9	-65.6	0	0	0	0	112.6	L209 N272 T393 T394 K395	L209-V274 HydrophobicContact CD1-CG1 4.5Å; L209-V274 HydrophobicContact CD2-CG1 4Å; N272-V274 PolarHBondContact O-N 2.96Å; V274-T393 WeakPolarHBondContact CG2-OG1 3.42Å; V274-T394 WeakPolarHBondContact CG2-OG1 3.28Å; V274-T394 PolarHBondContact N-OG1 2.84Å; V274-K395 HydrophobicContact CG2-CD 4.3Å; V274-K395 HydrophobicContact CG2-CG 3.97Å
275	G	95.8	Very high	96	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	75.7	179.1	-174.7	0	0	0	0	0	113.5	D273 K283 T394 K395	D273-G275 PolarHBondContact OD1-N 3.45Å; G275-K283 WeakPolarHBondContact CA-O 3.32Å; G275-T394 PolarHBondContact N-OG1 2.93Å; G275-T394 CarbonylContact O-C 3.56Å; G275-T394 PolarHBondContact O-OG1 2.92Å; G275-K395 WeakPolarHBondContact O-CG 3.32Å; G275-K395 PolarHBondContact O-N 2.79Å
276	G	94.7	Very high	96	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.021	15%	0.152	C	C	.	.			trans	-85.1	164.2	179.3	0	0	0	0	0	113.1	I279 L280	G276-I279 CarbonylContact C-O 3.52Å; G276-I279 WeakPolarHBondContact CA-O 3.36Å; G276-L280 PolarHBondContact N-O 3.35Å
277	Q	93.8	Very high	96	Very high	121 Å²	121	32 Å²	32	57%	0.565	15%	0.154	S	C	*	.	S	Bend	trans	-74.9	-38	-178.2	179.7	62.6	21.4	0	0	113.6	K395	Q277-K395 HydrophobicContact CB-CB 4.25Å; Q277-K395 VanDerWaalsContact CB-O 3.27Å; Q277-K395 WeakPolarHBondContact CB-O 3.14Å
278	R	92.6	Very high	96	Very high	189 Å²	189	32 Å²	32	71%	0.713	15%	0.154	S	C	*	.	S	Bend	trans	-121	-41.8	-176.2	-63.5	176	178.7	166.8	-2.4	112.5	D399	R278-D399 IonicContact NH1-OD2 3.58Å; R278-D399 PolarHBondContact NH1-OD2 3.45Å
279	I	93.1	Very high	96	Very high	33 Å²	33	32 Å²	32	17%	0.169	15%	0.154	C	C	.	.	S	Bend	trans	-107.7	145.2	177.5	-49.3	173.4	0	0	0	106.3	G276 V281 D399 I402 R403	G276-I279 CarbonylContact C-O 3.52Å; G276-I279 WeakPolarHBondContact CA-O 3.36Å; I279-V281 VanDerWaalsContact C-N 3.29Å; I279-V281 PolarHBondContact O-N 3.33Å; I279-D399 HydrophobicContact CD1-CB 4.37Å; I279-I402 HydrophobicContact CB-CG2 3.81Å; I279-I402 HydrophobicContact CG2-CG2 4.03Å; I279-R403 HydrophobicContact CD1-CG 3.54Å
280	L	94.5	Very high	96.1	Very high	13 Å²	13	32 Å²	32	7%	0.068	15%	0.154	C	C	.	.	S	Bend	trans	58.1	36.9	-176.4	-55.4	-176.8	0	0	0	113.7	E215 G276 N282 K283 W284 I402 R406	E215-L280 VanDerWaalsContact CD-CD2 3.48Å; E215-L280 HydrophobicContact CG-CD2 3.94Å; E215-L280 WeakPolarHBondContact OE2-CD2 3.49Å; G276-L280 PolarHBondContact N-O 3.35Å; L280-N282 PolarHBondContact O-N 2.9Å; L280-K283 HydrophobicContact CB-CB 3.93Å; L280-K283 HydrophobicContact CD2-CB 4.08Å; L280-K283 PolarHBondContact O-N 3.41Å; L280-K283 VanDerWaalsContact O-O 3.05Å; L280-W284 WeakPolarHBondContact CD1-O 3.41Å; L280-I402 HydrophobicContact CB-CG2 4.21Å; L280-I402 HydrophobicContact CD1-CG2 3.78Å; L280-I402 HydrophobicContact CG-CG2 3.89Å; L280-R406 HydrophobicContact CD1-CB 4.25Å; L280-R406 HydrophobicContact CD2-CB 4.43Å; L280-R406 HydrophobicContact CD2-CG 4.13Å
281	V	95	Very high	96.1	Very high	78 Å²	78	34.1 Å²	34.1	47%	0.473	16%	0.162	S	C	.	.	B	Isolated β-bridge	trans	-63.6	123.6	174.3	-178.4	0	0	0	0	109.2	I279 K283	I279-V281 VanDerWaalsContact C-N 3.29Å; I279-V281 PolarHBondContact O-N 3.33Å; V281-K283 PolarHBondContact O-N 2.04Å
282	N	93.9	Very high	96.2	Very high	79 Å²	79	33.1 Å²	33.1	42%	0.422	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	26.5	-172.1	-56	-36.5	0	0	0	113.5	I212 R213 L280	I212-N282 WeakPolarHBondContact CA-O 3.32Å; R213-N282 PolarHBondContact N-O 3.22Å; L280-N282 PolarHBondContact O-N 2.9Å
283	K	96.9	Very high	96.3	Very high	47 Å²	47	32.1 Å²	32.1	20%	0.204	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-123.9	147.8	173.7	-56.6	-65.4	-169.6	172.7	0	110.4	I212 R213 T214 E215 G275 L280 V281 S285	I212-K283 WeakPolarHBondContact CD1-O 3.44Å; R213-K283 HydrophobicContact CG-CD 4.09Å; R213-K283 WeakPolarHBondContact O-CA 3.18Å; R213-K283 VanDerWaalsContact O-CD 3.24Å; R213-K283 WeakPolarHBondContact O-CD 3.15Å; T214-K283 PolarHBondContact O-NZ 2.86Å; T214-K283 VanDerWaalsContact O-NZ 3.1Å; E215-K283 HydrophobicContact CG-CB 4.24Å; E215-K283 HydrophobicContact CG-CD 4.12Å; E215-K283 HydrophobicContact CG-CG 3.95Å; G275-K283 WeakPolarHBondContact CA-O 3.32Å; L280-K283 HydrophobicContact CB-CB 3.93Å; L280-K283 HydrophobicContact CD2-CB 4.08Å; L280-K283 PolarHBondContact O-N 3.41Å; L280-K283 VanDerWaalsContact O-O 3.05Å; V281-K283 PolarHBondContact O-N 2.04Å; K283-S285 PolarHBondContact O-N 3.43Å
284	W	97.5	Very high	96.4	Very high	13 Å²	13	32.1 Å²	32.1	5%	0.049	15%	0.15	C	C	.	.			trans	-57.5	126.5	179	-64.2	120	0	0	0	111.1	F188 I202 R204 I212 R213 T214 L269 D273 L280 F287	F188-W284 HydrophobicContact CD1-CH2 4.09Å; F188-W284 HydrophobicContact CD1-CZ2 4.33Å; F188-W284 AromaticContact CE1-CH2 3.68Å; F188-W284 HydrophobicContact CE1-CH2 3.68Å; F188-W284 HydrophobicContact CE1-CZ2 4.37Å; I202-W284 PolarHBondContact O-NE1 2.9Å; R204-W284 HydrophobicContact CB-CH2 3.45Å; R204-W284 VanDerWaalsContact CB-CH2 3.45Å; R204-W284 HydrophobicContact CB-CZ2 3.59Å; R204-W284 HydrophobicContact CG-CH2 4.45Å; I212-W284 HydrophobicContact CD1-CD2 3.95Å; I212-W284 HydrophobicContact CD1-CE3 3.52Å; I212-W284 HydrophobicContact CD1-CZ3 3.93Å; I212-W284 HydrophobicContact CG1-CD2 3.77Å; I212-W284 HydrophobicContact CG1-CE3 3.85Å; I212-W284 HydrophobicContact CG1-CG 4.21Å; I212-W284 HydrophobicContact CG1-CZ3 4.26Å; I212-W284 HydrophobicContact CG2-CD2 4.2Å; I212-W284 HydrophobicContact CG2-CE3 4.05Å; I212-W284 HydrophobicContact CG2-CH2 3.32Å; I212-W284 HydrophobicContact CG2-CZ2 3.49Å; I212-W284 VanDerWaalsContact CG2-CZ2 3.49Å; I212-W284 HydrophobicContact CG2-CZ3 3.61Å; R213-W284 PolarHBondContact O-N 3.39Å; T214-W284 VanDerWaalsContact N-CD1 3.33Å; L269-W284 HydrophobicContact CD1-CD2 4.19Å; L269-W284 HydrophobicContact CD1-CZ2 4.09Å; L269-W284 HydrophobicContact CD2-CB 3.78Å; L269-W284 HydrophobicContact CD2-CD2 3.58Å; L269-W284 HydrophobicContact CD2-CE3 3.84Å; L269-W284 HydrophobicContact CD2-CG 3.56Å; L269-W284 HydrophobicContact CG-CD2 4.49Å; D273-W284 HydrophobicContact CB-CE3 3.95Å; D273-W284 HydrophobicContact CB-CZ3 3.96Å; L280-W284 WeakPolarHBondContact CD1-O 3.41Å; W284-F287 HydrophobicContact CB-CB 4.11Å
285	S	96.8	Very high	96.4	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.028	15%	0.147	C	C	.	.	S	Bend	trans	-101	-11.3	176.6	68.5	0	0	0	0	112.9	D273 K283 T394 A405	D273-S285 VanDerWaalsContact CG-OG 3.24Å; D273-S285 PolarHBondContact OD1-OG 2.89Å; D273-S285 PolarHBondContact OD2-N 2.74Å; D273-S285 PolarHBondContact OD2-OG 2.04Å; K283-S285 PolarHBondContact O-N 3.43Å; S285-T394 WeakPolarHBondContact OG-CB 3.34Å; S285-A405 WeakPolarHBondContact O-CB 3.47Å
286	T	97.8	Very high	96.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	16%	0.161	C	C	.	.	S	Bend	trans	-114.9	4.1	-174	59	0	0	0	0	114.3	C270 D273 L288 T394	C270-T286 HydrophobicContact CB-CG2 4.01Å; C270-T286 PolarHBondContact N-OG1 2.93Å; C270-T286 VanDerWaalsContact N-OG1 3.15Å; D273-T286 HydrophobicContact CB-CG2 4.22Å; D273-T286 WeakPolarHBondContact OD2-CB 3.44Å; D273-T286 WeakPolarHBondContact OD2-CG2 3.29Å; D273-T286 PolarHBondContact OD2-N 2.96Å; D273-T286 PolarHBondContact OD2-OG1 3.3Å; T286-L288 PolarHBondContact O-N 3.28Å; T286-T394 HydrophobicContact CG2-CG2 4.08Å
287	F	98.4	Very high	95.9	Very high	7 Å²	7	37.4 Å²	37.4	3%	0.031	18%	0.184	C	C	.	.			trans	-65.7	127.5	-178.5	-176.7	-102.5	0	0	0	112	I202 L221 L222 F248 R268 L269 W284 K289 P409	I202-F287 HydrophobicContact CD1-CD2 4.31Å; I202-F287 HydrophobicContact CD1-CE2 3.55Å; I202-F287 HydrophobicContact CD1-CZ 4.21Å; L221-F287 HydrophobicContact CB-CE1 4.42Å; L221-F287 HydrophobicContact CD2-CD1 3.66Å; L221-F287 HydrophobicContact CD2-CE1 4.16Å; L222-F287 HydrophobicContact CD2-CZ 4.34Å; F248-F287 HydrophobicContact CZ-CZ 4.49Å; R268-F287 WeakPolarHBondContact O-CA 3.34Å; L269-F287 HydrophobicContact CD1-CD2 4.35Å; L269-F287 HydrophobicContact CD2-CB 3.57Å; L269-F287 HydrophobicContact CD2-CD2 3.71Å; L269-F287 HydrophobicContact CD2-CG 4.13Å; L269-F287 HydrophobicContact CG-CD2 3.89Å; W284-F287 HydrophobicContact CB-CB 4.11Å; F287-K289 HydrophobicContact CE1-CB 4.38Å; F287-K289 HydrophobicContact CE1-CD 4.38Å; F287-K289 HydrophobicContact CE1-CG 4.49Å; F287-K289 HydrophobicContact CZ-CB 4.26Å; F287-P409 HydrophobicContact CD1-CB 4.25Å
288	L	98.6	Very high	95.4	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.3	168.7	-66.2	174.8	0	0	0	109.9	G267 R268 T286 F353 Y357 P409 M411	G267-L288 CarbonylContact C-O 3.54Å; G267-L288 VanDerWaalsContact CA-O 3.22Å; G267-L288 WeakPolarHBondContact CA-O 3.49Å; R268-L288 HydrophobicContact CG-CB 4.36Å; R268-L288 PolarHBondContact N-O 3.18Å; R268-L288 PolarHBondContact O-N 3.35Å; T286-L288 PolarHBondContact O-N 3.28Å; L288-F353 HydrophobicContact CB-CD1 3.94Å; L288-F353 HydrophobicContact CB-CE1 3.93Å; L288-F353 HydrophobicContact CD1-CD1 4.49Å; L288-Y357 HydrophobicContact CD1-CE1 4.19Å; L288-Y357 HydrophobicContact CD2-CD1 4.26Å; L288-Y357 HydrophobicContact CD2-CE1 3.8Å; L288-P409 CarbonylContact C-O 3.56Å; L288-P409 VanDerWaalsContact CA-O 3.3Å; L288-P409 WeakPolarHBondContact CA-O 3.49Å; L288-M411 HydrophobicContact CB-SD 4.29Å; L288-M411 HydrophobicContact CD1-SD 3.87Å; L288-M411 HydrophobicContact CD2-SD 4.1Å; L288-M411 HydrophobicContact CG-SD 4.33Å
289	K	98.6	Very high	94.8	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.8	172.5	68.8	-177.8	179.2	-173.1	0	112.6	R220 L221 F248 E250 V266 F287 P409 L410 M411	R220-K289 WeakPolarHBondContact O-CE 3.31Å; R220-K289 PolarHBondContact O-NZ 3.04Å; L221-K289 PolarHBondContact O-NZ 3.37Å; F248-K289 HydrophobicContact CZ-CB 4.49Å; F248-K289 HydrophobicContact CZ-CD 4.25Å; E250-K289 WeakPolarHBondContact OE1-CD 3.31Å; E250-K289 WeakPolarHBondContact OE1-CE 3.01Å; E250-K289 IonicContact OE1-NZ 3.88Å; E250-K289 PolarHBondContact OE1-NZ 3.25Å; E250-K289 IonicContact OE2-NZ 3.98Å; E250-K289 PolarHBondContact OE2-NZ 2.7Å; V266-K289 CarbonylContact O-C 3.52Å; V266-K289 VanDerWaalsContact O-CA 3.26Å; V266-K289 WeakPolarHBondContact O-CA 3.49Å; F287-K289 HydrophobicContact CE1-CB 4.38Å; F287-K289 HydrophobicContact CE1-CD 4.38Å; F287-K289 HydrophobicContact CE1-CG 4.49Å; F287-K289 HydrophobicContact CZ-CB 4.26Å; K289-P409 PolarHBondContact N-O 3.42Å; K289-L410 HydrophobicContact CG-CD1 4.03Å; K289-L410 WeakPolarHBondContact O-CA 3.32Å; K289-M411 WeakPolarHBondContact O-CG 3.47Å; K289-M411 PolarHBondContact O-N 3.41Å
290	A	98.6	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.7	176.4	0	0	0	0	0	110.6	R265 V266 A352 F353 M411 I415	R265-A290 VanDerWaalsContact CA-O 3.32Å; R265-A290 WeakPolarHBondContact CA-O 3.03Å; V266-A290 PolarHBondContact N-O 2.78Å; V266-A290 PolarHBondContact O-N 2.92Å; A290-A352 HydrophobicContact CB-CB 4.46Å; A290-F353 HydrophobicContact CB-CE1 4.21Å; A290-F353 HydrophobicContact CB-CZ 4.39Å; A290-M411 HydrophobicContact CB-CB 3.93Å; A290-M411 HydrophobicContact CB-CG 4.1Å; A290-I415 HydrophobicContact CB-CD1 3.83Å; A290-I415 HydrophobicContact CB-CG1 4.34Å
291	R	98	Very high	93.3	Very high	46 Å²	46	41.4 Å²	41.4	17%	0.174	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	130.8	174.8	-173.1	176.5	177.2	-171.2	-2.7	110.2	Y263 V293 D307 A414 I415	Y263-R291 HydrophobicContact CD2-CG 4.35Å; Y263-R291 HydrophobicContact CG-CG 4.37Å; Y263-R291 VanDerWaalsContact CZ-CZ 3.41Å; Y263-R291 VanDerWaalsContact CZ-NH1 3.33Å; Y263-R291 PolarHBondContact OH-NH1 2.73Å; R291-V293 HydrophobicContact CG-CG2 3.97Å; R291-D307 IonicContact CZ-OD1 3.38Å; R291-D307 IonicContact NH2-OD1 3.69Å; R291-D307 PolarHBondContact NH2-OD1 3.42Å; R291-D307 IonicContact NH2-OD2 2.88Å; R291-A414 HydrophobicContact CB-CB 4.12Å; R291-A414 WeakPolarHBondContact O-CA 3.15Å; R291-I415 PolarHBondContact O-N 3.09Å
292	L	98.1	Very high	92.8	Very high	2 Å²	2	44 Å²	44	1%	0.01	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-100.9	121.2	169.6	-166.3	64.8	0	0	0	108.3	F247 T264 V266 F329 Y344 I415	F247-L292 HydrophobicContact CD1-CD2 4.4Å; T264-L292 HydrophobicContact CG2-CB 3.9Å; T264-L292 HydrophobicContact CG2-CD2 3.98Å; T264-L292 HydrophobicContact CG2-CG 4.47Å; T264-L292 PolarHBondContact O-N 2.66Å; V266-L292 HydrophobicContact CG2-CB 4.16Å; V266-L292 HydrophobicContact CG2-CD1 3.98Å; V266-L292 HydrophobicContact CG2-CD2 3.94Å; V266-L292 HydrophobicContact CG2-CG 4.26Å; L292-F329 HydrophobicContact CD2-CE1 4.42Å; L292-F329 HydrophobicContact CD2-CZ 3.87Å; L292-F329 HydrophobicContact CG-CZ 4.23Å; L292-Y344 HydrophobicContact CD1-CD1 3.52Å; L292-Y344 HydrophobicContact CD1-CD2 4.13Å; L292-Y344 HydrophobicContact CD1-CE1 3.37Å; L292-Y344 HydrophobicContact CD1-CE2 4.01Å; L292-Y344 HydrophobicContact CD1-CG 3.9Å; L292-Y344 HydrophobicContact CD2-CD2 4.44Å; L292-Y344 HydrophobicContact CD2-CE2 3.99Å; L292-Y344 HydrophobicContact CG-CD1 4.45Å; L292-Y344 HydrophobicContact CG-CE1 3.87Å; L292-Y344 HydrophobicContact CG-CE2 4.01Å; L292-I415 HydrophobicContact CD1-CB 3.78Å; L292-I415 HydrophobicContact CD1-CD1 4.36Å; L292-I415 HydrophobicContact CD1-CG2 3.58Å
293	V	97.8	Very high	92.6	Very high	11 Å²	11	43.2 Å²	43.2	7%	0.067	25%	0.248	C	C	.	.			trans	-108.3	126	-173	175.6	0	0	0	0	110.1	R291 Y344 A414 I415 P417	R291-V293 HydrophobicContact CG-CG2 3.97Å; V293-Y344 VanDerWaalsContact C-OH 3.3Å; V293-Y344 PolarHBondContact O-OH 2.79Å; V293-A414 HydrophobicContact CG2-CB 3.76Å; V293-I415 PolarHBondContact N-O 3.15Å; V293-P417 VanDerWaalsContact O-CD 3.28Å; V293-P417 WeakPolarHBondContact O-CD 3.3Å
294	C	97.6	Very high	92.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.256	C	S	.	.			trans	-122.1	114.6	163.1	-167.4	0	0	0	0	108.5	F306 F329 C342	C294-F306 HydrophobicContact CB-CB 4.45Å; C294-F306 PolarHBondContact O-N 2.83Å; C294-F329 HydrophobicContact CB-CB 4.41Å; C294-F329 HydrophobicContact CB-CD1 4.03Å; C294-F329 HydrophobicContact CB-CD2 3.6Å; C294-F329 HydrophobicContact CB-CE1 4.14Å; C294-F329 HydrophobicContact CB-CE2 3.77Å; C294-F329 HydrophobicContact CB-CG 3.76Å; C294-F329 HydrophobicContact CB-CZ 4.04Å; C294-C342 WeakPolarHBondContact CA-SG 3.44Å; C294-C342 HydrophobicContact CB-CB 3.82Å; C294-C342 WeakPolarHBondContact CB-SG 3.41Å; C294-C342 WeakPolarHBondContact SG-CB 3.44Å; C294-C342 CovalentContact SG-SG 2.04Å; C294-C342 PolarHBondContact SG-SG 3.19Å
295	S	95.4	Very high	92.2	Very high	7 Å²	7	46.4 Å²	46.4	5%	0.049	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	151.7	-178.5	61.9	0	0	0	0	112.8	D303 T304 P422	S295-D303 PolarHBondContact OG-OD2 2.87Å; S295-T304 CarbonylContact C-O 3.51Å; S295-T304 WeakPolarHBondContact CA-O 3.34Å; S295-T304 WeakPolarHBondContact CB-O 3.27Å; S295-P422 WeakPolarHBondContact O-CD 3.49Å
296	V	93.1	Very high	92.1	Very high	50 Å²	50	46.3 Å²	46.3	30%	0.303	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121	170.1	177	0	0	0	0	107.9	G298 D303 T304 F306 P422 V425	V296-G298 PolarHBondContact O-N 3.3Å; V296-D303 WeakPolarHBondContact O-CA 3.22Å; V296-T304 PolarHBondContact N-O 2.69Å; V296-T304 PolarHBondContact O-N 3.3Å; V296-F306 HydrophobicContact CG2-CE2 3.93Å; V296-P422 HydrophobicContact CG2-CG 3.6Å; V296-V425 HydrophobicContact CG2-CG2 3.8Å
297	P	87.8	Confident	92	Very high	78 Å²	78	47 Å²	47	51%	0.506	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-62.6	124.8	176.2	-20.9	32.1	0	0	0	111.4	D303	P297-D303 WeakPolarHBondContact CA-OD1 3.48Å
298	G	83.7	Confident	91.9	Very high	28 Å²	28	48.9 Å²	48.9	29%	0.289	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-84.5	152.4	176.6	0	0	0	0	0	112.6	V296 N300 G301 I302	V296-G298 PolarHBondContact O-N 3.3Å; G298-N300 PolarHBondContact O-N 2.81Å; G298-G301 PolarHBondContact O-N 2.83Å; G298-I302 WeakPolarHBondContact CA-O 3.2Å; G298-I302 PolarHBondContact N-O 3.01Å
299	M	79.4	Confident	91.9	Very high	195 Å²	195	48.9 Å²	48.9	96%	0.961	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.1	178.9	-66.1	174.1	67.2	0	0	113.2	G301	M299-G301 VanDerWaalsContact C-N 3.28Å; M299-G301 PolarHBondContact O-N 3.19Å
300	N	78.8	Confident	91.9	Very high	152 Å²	152	49.9 Å²	49.9	81%	0.813	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	11	179.2	-60.7	-13.4	0	0	0	112.8	G298 I302	G298-N300 PolarHBondContact O-N 2.81Å; N300-I302 PolarHBondContact O-N 3.44Å
301	G	77.9	Confident	91.9	Very high	65 Å²	65	50.7 Å²	50.7	67%	0.67	29%	0.289	S	S	*	.	S	Bend	trans	75.3	6.6	-175.3	0	0	0	0	0	114.9	G298 M299	G298-G301 PolarHBondContact O-N 2.83Å; M299-G301 VanDerWaalsContact C-N 3.28Å; M299-G301 PolarHBondContact O-N 3.19Å
302	I	84.4	Confident	91.9	Very high	132 Å²	132	48.7 Å²	48.7	68%	0.677	28%	0.282	S	S	*	.			trans	-97.7	113.1	173.3	-58	174.8	0	0	0	108	G298 N300	G298-I302 WeakPolarHBondContact CA-O 3.2Å; G298-I302 PolarHBondContact N-O 3.01Å; N300-I302 PolarHBondContact O-N 3.44Å
303	D	90.1	Very high	91.9	Very high	62 Å²	62	50.1 Å²	50.1	33%	0.332	29%	0.288	S	S	.	.			trans	-75.2	138.1	178.6	-72.8	8.3	0	0	0	111.2	S295 V296 P297 H305	S295-D303 PolarHBondContact OG-OD2 2.87Å; V296-D303 WeakPolarHBondContact O-CA 3.22Å; P297-D303 WeakPolarHBondContact CA-OD1 3.48Å; D303-H305 PolarHBondContact O-CD2 2.82Å
304	T	91.5	Very high	91.9	Very high	61 Å²	61	51 Å²	51	37%	0.374	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	112.3	167.8	-59.5	0	0	0	0	108.6	S295 V296 F306 F336	S295-T304 CarbonylContact C-O 3.51Å; S295-T304 WeakPolarHBondContact CA-O 3.34Å; S295-T304 WeakPolarHBondContact CB-O 3.27Å; V296-T304 PolarHBondContact N-O 2.69Å; V296-T304 PolarHBondContact O-N 3.3Å; T304-F306 HydrophobicContact CG2-CE2 4.28Å; T304-F336 HydrophobicContact CG2-CE1 4.09Å
305	H	93.2	Very high	91.9	Very high	66 Å²	66	51.3 Å²	51.3	31%	0.306	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	141.8	-177.2	-70.4	-85.5	0	0	0	113	D303 D307	D303-H305 PolarHBondContact O-CD2 2.82Å; H305-D307 WeakPolarHBondContact CB-OD2 3.45Å
306	F	96.4	Very high	91.9	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.009	32%	0.322	C	S	.	.			trans	-113.8	84.7	169.4	-59	-102.4	0	0	0	106.8	C294 V296 T304 F329 N330 T331 G338 A340 V425	C294-F306 HydrophobicContact CB-CB 4.45Å; C294-F306 PolarHBondContact O-N 2.83Å; V296-F306 HydrophobicContact CG2-CE2 3.93Å; T304-F306 HydrophobicContact CG2-CE2 4.28Å; F306-F329 HydrophobicContact CB-CB 3.54Å; F306-F329 HydrophobicContact CB-CG 4.45Å; F306-F329 WeakPolarHBondContact O-CD1 3.38Å; F306-N330 CarbonylContact C-O 3.44Å; F306-N330 WeakPolarHBondContact CA-O 3.32Å; F306-T331 HydrophobicContact CD1-CG2 3.68Å; F306-T331 HydrophobicContact CE1-CG2 3.75Å; F306-T331 HydrophobicContact CG-CG2 4.42Å; F306-G338 WeakPolarHBondContact CD1-O 3.47Å; F306-A340 HydrophobicContact CB-CB 4.2Å; F306-A340 HydrophobicContact CD1-CB 3.6Å; F306-A340 HydrophobicContact CD2-CB 3.67Å; F306-A340 HydrophobicContact CE1-CB 3.8Å; F306-A340 HydrophobicContact CE2-CB 3.9Å; F306-A340 HydrophobicContact CG-CB 3.55Å; F306-A340 HydrophobicContact CZ-CB 3.95Å; F306-V425 HydrophobicContact CZ-CG1 4.02Å
307	D	95.6	Very high	91.9	Very high	16 Å²	16	55.3 Å²	55.3	9%	0.086	32%	0.32	C	S	.	.			trans	-92	-8.1	-169.2	-71.7	-54.3	0	0	0	113.7	I262 Y263 T264 R291 H305 N330 T332	I262-D307 WeakPolarHBondContact O-CB 3.05Å; Y263-D307 HydrophobicContact CD1-CB 4.35Å; T264-D307 PolarHBondContact N-O 3.07Å; T264-D307 PolarHBondContact OG1-O 3.44Å; R291-D307 IonicContact CZ-OD1 3.38Å; R291-D307 IonicContact NH2-OD1 3.69Å; R291-D307 PolarHBondContact NH2-OD1 3.42Å; R291-D307 IonicContact NH2-OD2 2.88Å; H305-D307 WeakPolarHBondContact CB-OD2 3.45Å; D307-N330 PolarHBondContact N-O 3.23Å; D307-T332 HydrophobicContact CB-CG2 4.06Å
308	E	96.4	Very high	92.1	Very high	47 Å²	47	63 Å²	63	22%	0.22	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	106.4	177.3	-76.2	-176.6	-163	0	0	112.2	I262 E310 F329 N330 T332	I262-E308 HydrophobicContact CG2-CG 4.21Å; E308-E310 PolarHBondContact O-N 3.11Å; E308-F329 CarbonylContact O-C 3.56Å; E308-F329 VanDerWaalsContact O-CA 3.23Å; E308-F329 WeakPolarHBondContact O-CA 3.33Å; E308-N330 HydrophobicContact CB-CB 4.23Å; E308-N330 WeakPolarHBondContact CB-O 3.32Å; E308-N330 PolarHBondContact N-O 3.39Å; E308-N330 PolarHBondContact O-N 2.81Å; E308-T332 HydrophobicContact CG-CG2 3.75Å; E308-T332 WeakPolarHBondContact OE1-CA 3.46Å
309	L	98.2	Very high	92.6	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	125.6	171.1	-167	70.6	0	0	0	111.1	V228 F247 T249 T264 D311 F329	V228-L309 HydrophobicContact CB-CD2 3.8Å; V228-L309 HydrophobicContact CB-CG 4.29Å; V228-L309 HydrophobicContact CG1-CD2 3.95Å; V228-L309 HydrophobicContact CG1-CG 4.08Å; V228-L309 HydrophobicContact CG2-CB 4.21Å; V228-L309 HydrophobicContact CG2-CD2 3.95Å; V228-L309 HydrophobicContact CG2-CG 4.13Å; F247-L309 HydrophobicContact CB-CD2 3.86Å; T249-L309 HydrophobicContact CG2-CB 3.79Å; T264-L309 HydrophobicContact CG2-CB 3.71Å; T264-L309 HydrophobicContact CG2-CD1 4.33Å; T264-L309 HydrophobicContact CG2-CD2 3.91Å; T264-L309 HydrophobicContact CG2-CG 4.21Å; T264-L309 PolarHBondContact OG1-N 3.05Å; L309-D311 WeakPolarHBondContact CD1-O 3.03Å; L309-F329 HydrophobicContact CB-CD1 4.46Å; L309-F329 HydrophobicContact CB-CE1 4.46Å; L309-F329 HydrophobicContact CD1-CD1 4.03Å; L309-F329 HydrophobicContact CD1-CD2 4.41Å; L309-F329 HydrophobicContact CD1-CE1 3.7Å; L309-F329 HydrophobicContact CD1-CE2 4.06Å; L309-F329 HydrophobicContact CD1-CG 4.38Å; L309-F329 HydrophobicContact CD1-CZ 3.69Å
310	E	97.5	Very high	93.1	Very high	26 Å²	26	60.4 Å²	60.4	12%	0.121	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-42	174.2	-68.8	-74.7	-145.7	0	0	111.6	K226 E308 L328 N330 K434	K226-E310 IonicContact NZ-OE2 3.34Å; K226-E310 PolarHBondContact NZ-OE2 3.48Å; E308-E310 PolarHBondContact O-N 3.11Å; E310-L328 HydrophobicContact CB-CD2 4.28Å; E310-L328 HydrophobicContact CB-CG 4.22Å; E310-L328 PolarHBondContact N-O 2.8Å; E310-N330 HydrophobicContact CG-CB 3.82Å; E310-K434 IonicContact OE1-NZ 3.7Å; E310-K434 PolarHBondContact OE1-NZ 3.34Å
311	D	98.6	Very high	93.9	Very high	18 Å²	18	55.1 Å²	55.1	10%	0.096	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	158.9	179.7	-163.8	16.3	0	0	0	112.3	L309 L328 Q435 I436	L309-D311 WeakPolarHBondContact CD1-O 3.03Å; D311-L328 HydrophobicContact CB-CB 4.27Å; D311-L328 HydrophobicContact CB-CD2 4.38Å; D311-L328 PolarHBondContact N-O 2.78Å; D311-L328 PolarHBondContact O-N 2.74Å; D311-Q435 VanDerWaalsContact OD2-CA 3.31Å; D311-Q435 WeakPolarHBondContact OD2-CA 3.41Å; D311-I436 HydrophobicContact CB-CG2 4.12Å; D311-I436 PolarHBondContact OD2-N 2.98Å
312	V	98.4	Very high	94.8	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	132.9	175.7	64.7	0	0	0	0	110.8	V228 Y231 F247 L314 I325 F326	V228-V312 HydrophobicContact CG1-CG1 4.29Å; Y231-V312 HydrophobicContact CE2-CG1 3.91Å; Y231-V312 PolarHBondContact OH-O 2.87Å; F247-V312 HydrophobicContact CB-CG1 4.11Å; F247-V312 HydrophobicContact CD1-CG2 4.15Å; F247-V312 HydrophobicContact CD2-CG1 4.31Å; F247-V312 HydrophobicContact CD2-CG2 4.44Å; F247-V312 HydrophobicContact CE1-CG2 4.36Å; F247-V312 HydrophobicContact CG-CG1 4.21Å; F247-V312 HydrophobicContact CG-CG2 4.2Å; V312-L314 HydrophobicContact CG2-CD1 4.14Å; V312-I325 HydrophobicContact CG2-CG2 3.68Å; V312-F326 CarbonylContact C-O 3.46Å; V312-F326 VanDerWaalsContact CA-O 3.31Å; V312-F326 WeakPolarHBondContact CA-O 3.31Å; V312-F326 WeakPolarHBondContact CG2-O 3.46Å
313	F	98.5	Very high	95.4	Very high	32 Å²	32	49 Å²	49	14%	0.14	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.7	177.6	-173.5	-89.9	0	0	0	110.9	L315 F326 I436 A437 V438 I496	F313-L315 HydrophobicContact CD1-CB 4.38Å; F313-L315 HydrophobicContact CE1-CB 4.16Å; F313-L315 HydrophobicContact CE1-CD1 4.27Å; F313-F326 HydrophobicContact CB-CB 4.38Å; F313-F326 PolarHBondContact N-O 2.88Å; F313-F326 PolarHBondContact O-N 2.86Å; F313-I436 HydrophobicContact CB-CG2 4.03Å; F313-A437 HydrophobicContact CD2-CB 4.36Å; F313-A437 HydrophobicContact CE2-CB 4.15Å; F313-V438 HydrophobicContact CD1-CB 3.73Å; F313-V438 HydrophobicContact CD1-CG2 3.9Å; F313-V438 HydrophobicContact CE1-CB 3.75Å; F313-V438 HydrophobicContact CE1-CG2 4.42Å; F313-V438 WeakPolarHBondContact CE1-O 3.46Å; F313-V438 HydrophobicContact CG-CG2 4.41Å; F313-V438 VanDerWaalsContact CZ-O 3.28Å; F313-V438 WeakPolarHBondContact CZ-O 3.46Å; F313-I496 HydrophobicContact CE2-CG2 3.63Å; F313-I496 HydrophobicContact CZ-CG2 3.7Å
314	L	97.7	Very high	95.7	Very high	29 Å²	29	46.6 Å²	46.6	15%	0.152	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	107.6	175.2	-87.7	63.5	0	0	0	109.3	Y231 I233 V312 P316 P323 I325	Y231-L314 HydrophobicContact CD1-CD1 4.28Å; Y231-L314 HydrophobicContact CD1-CD2 3.67Å; Y231-L314 HydrophobicContact CD1-CG 4.4Å; Y231-L314 HydrophobicContact CD2-CD1 3.47Å; Y231-L314 VanDerWaalsContact CD2-CD1 3.47Å; Y231-L314 HydrophobicContact CD2-CD2 3.72Å; Y231-L314 HydrophobicContact CD2-CG 4.21Å; Y231-L314 HydrophobicContact CE1-CD1 4.16Å; Y231-L314 HydrophobicContact CE1-CD2 4.29Å; Y231-L314 HydrophobicContact CE2-CD1 3.34Å; Y231-L314 HydrophobicContact CE2-CD2 4.35Å; Y231-L314 HydrophobicContact CE2-CG 4.4Å; Y231-L314 HydrophobicContact CG-CD1 3.96Å; Y231-L314 HydrophobicContact CG-CD2 3.34Å; Y231-L314 HydrophobicContact CG-CG 4.22Å; I233-L314 HydrophobicContact CD1-CD2 3.8Å; I233-L314 HydrophobicContact CG1-CD2 4.15Å; V312-L314 HydrophobicContact CG2-CD1 4.14Å; L314-P316 VanDerWaalsContact O-CD 3.27Å; L314-P316 WeakPolarHBondContact O-CD 3.15Å; L314-P323 HydrophobicContact CD2-CG 4.39Å; L314-I325 HydrophobicContact CD1-CG1 4.2Å; L314-I325 HydrophobicContact CD1-CG2 4.49Å; L314-I325 HydrophobicContact CG-CG1 4.13Å
315	L	97.5	Very high	96.1	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.037	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	112	172.5	-178.3	68.1	0	0	0	109.1	F313 P323 V324 F326 V438 R440 D449	F313-L315 HydrophobicContact CD1-CB 4.38Å; F313-L315 HydrophobicContact CE1-CB 4.16Å; F313-L315 HydrophobicContact CE1-CD1 4.27Å; L315-P323 WeakPolarHBondContact O-CA 3.36Å; L315-V324 HydrophobicContact CB-CB 4.3Å; L315-V324 PolarHBondContact N-O 2.86Å; L315-V324 PolarHBondContact O-N 2.83Å; L315-F326 HydrophobicContact CB-CD2 4.3Å; L315-F326 HydrophobicContact CB-CE2 3.94Å; L315-F326 HydrophobicContact CD2-CE2 3.87Å; L315-F326 HydrophobicContact CD2-CZ 4.4Å; L315-V438 HydrophobicContact CD1-CG1 4.49Å; L315-V438 HydrophobicContact CD2-CG1 4.31Å; L315-R440 HydrophobicContact CD1-CB 4.23Å; L315-R440 HydrophobicContact CD2-CB 4.26Å; L315-D449 WeakPolarHBondContact CD2-OD1 3.25Å
316	P	94.6	Very high	96.4	Very high	98 Å²	98	40.7 Å²	40.7	64%	0.636	20%	0.197	S	C	*	.			trans	-64.3	143.8	178.5	27.4	-34.6	0	0	0	110.4	L314	L314-P316 VanDerWaalsContact O-CD 3.27Å; L314-P316 WeakPolarHBondContact O-CD 3.15Å
317	T	94.1	Very high	96.5	Very high	42 Å²	42	40.6 Å²	40.6	26%	0.258	20%	0.197	S	C	.	.			trans	-113.7	177.7	170.6	75.6	0	0	0	0	110	D319 N322 V324	T317-D319 PolarHBondContact O-N 2.82Å; T317-D319 PolarHBondContact OG1-N 3.41Å; T317-D319 PolarHBondContact OG1-O 3.05Å; T317-N322 WeakPolarHBondContact CG2-O 3.31Å; T317-N322 PolarHBondContact OG1-O 3.36Å; T317-V324 HydrophobicContact CG2-CG2 3.98Å
318	R	91.4	Very high	96.6	Very high	241 Å²	241	39.9 Å²	39.9	91%	0.909	19%	0.193	S	C	*	.	S	Bend	trans	-57.8	-27.8	173.3	-65.3	-175.8	-179.5	178.1	1.4	112.1
319	D	93.6	Very high	96.7	Very high	52 Å²	52	37.6 Å²	37.6	28%	0.278	18%	0.183	S	C	.	.	S	Bend	trans	-103.1	103.4	171.8	-178.1	7.1	0	0	0	109.7	T317 K321 N322	T317-D319 PolarHBondContact O-N 2.82Å; T317-D319 PolarHBondContact OG1-N 3.41Å; T317-D319 PolarHBondContact OG1-O 3.05Å; D319-K321 PolarHBondContact O-N 2.97Å; D319-K321 WeakPolarHBondContact OD1-CB 3.16Å; D319-K321 WeakPolarHBondContact OD1-CE 3.35Å; D319-K321 PolarHBondContact OD1-N 3.02Å; D319-K321 IonicContact OD1-NZ 2.8Å; D319-K321 WeakPolarHBondContact OD2-CE 3.44Å; D319-N322 HydrophobicContact CB-CB 4.46Å; D319-N322 CarbonylContact O-C 3.47Å; D319-N322 WeakPolarHBondContact O-CA 3.45Å; D319-N322 PolarHBondContact O-N 3.44Å; D319-N322 PolarHBondContact OD2-ND2 2.81Å
320	H	91.2	Very high	96.6	Very high	115 Å²	115	38.7 Å²	38.7	53%	0.532	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.2	178.7	68.1	-73.8	0	0	0	114.3	P234 N322	P234-H320 WeakPolarHBondContact CG-CD2 3.08Å; H320-N322 VanDerWaalsContact C-N 3.29Å
321	K	94.6	Very high	96.4	Very high	41 Å²	41	37.8 Å²	37.8	18%	0.178	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-20.5	171.8	-61.6	166.6	-66.1	-172.2	0	111.8	P234 E237 D319 P323 R350	P234-K321 HydrophobicContact CB-CG 4.18Å; P234-K321 HydrophobicContact CG-CG 3.87Å; P234-K321 WeakPolarHBondContact O-CB 3.06Å; E237-K321 WeakPolarHBondContact OE1-CE 3.31Å; E237-K321 IonicContact OE1-NZ 2.78Å; E237-K321 PolarHBondContact OE1-NZ 2.72Å; D319-K321 PolarHBondContact O-N 2.97Å; D319-K321 WeakPolarHBondContact OD1-CB 3.16Å; D319-K321 WeakPolarHBondContact OD1-CE 3.35Å; D319-K321 PolarHBondContact OD1-N 3.02Å; D319-K321 IonicContact OD1-NZ 2.8Å; D319-K321 WeakPolarHBondContact OD2-CE 3.44Å; K321-P323 WeakPolarHBondContact O-CD 3.38Å; K321-R350 PolarHBondContact O-NH2 3.02Å
322	N	96.6	Very high	95.9	Very high	58 Å²	58	39.9 Å²	39.9	31%	0.31	20%	0.199	S	C	.	.	S	Bend	trans	-124.9	62.4	-174.4	-68.7	-61.4	0	0	0	111.4	T317 D319 H320 R350	T317-N322 WeakPolarHBondContact CG2-O 3.31Å; T317-N322 PolarHBondContact OG1-O 3.36Å; D319-N322 HydrophobicContact CB-CB 4.46Å; D319-N322 CarbonylContact O-C 3.47Å; D319-N322 WeakPolarHBondContact O-CA 3.45Å; D319-N322 PolarHBondContact O-N 3.44Å; D319-N322 PolarHBondContact OD2-ND2 2.81Å; H320-N322 VanDerWaalsContact C-N 3.29Å; N322-R350 PolarHBondContact OD1-NH1 3.2Å
323	P	97.3	Very high	95.2	Very high	11 Å²	11	42 Å²	42	7%	0.071	21%	0.213	C	C	.	.			trans	-63.6	155.9	166	30.6	-35.9	0	0	0	110.7	I233 L314 L315 K321 M346	I233-P323 HydrophobicContact CD1-CG 4.09Å; I233-P323 HydrophobicContact CG1-CG 4.49Å; I233-P323 HydrophobicContact CG2-CG 4.1Å; L314-P323 HydrophobicContact CD2-CG 4.39Å; L315-P323 WeakPolarHBondContact O-CA 3.36Å; K321-P323 WeakPolarHBondContact O-CD 3.38Å; P323-M346 HydrophobicContact CG-CG 4.09Å
324	V	98	Very high	94.1	Very high	11 Å²	11	47.2 Å²	47.2	7%	0.067	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.6	168.6	-178.7	0	0	0	0	107.8	L315 T317 F326 V343	L315-V324 HydrophobicContact CB-CB 4.3Å; L315-V324 PolarHBondContact N-O 2.86Å; L315-V324 PolarHBondContact O-N 2.83Å; T317-V324 HydrophobicContact CG2-CG2 3.98Å; V324-F326 HydrophobicContact CB-CE2 4.23Å; V324-F326 HydrophobicContact CG1-CD2 4.22Å; V324-F326 HydrophobicContact CG1-CE2 3.64Å; V324-F326 HydrophobicContact CG1-CZ 4.22Å; V324-V343 HydrophobicContact CG1-CG1 3.34Å
325	I	98.6	Very high	93.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.4	-175.3	-63.8	158.3	0	0	0	108.7	F247 V312 L314 V343 Y344 M346 I349	F247-I325 HydrophobicContact CE1-CG2 4.07Å; F247-I325 HydrophobicContact CZ-CD1 4.04Å; F247-I325 HydrophobicContact CZ-CG2 4.26Å; V312-I325 HydrophobicContact CG2-CG2 3.68Å; L314-I325 HydrophobicContact CD1-CG1 4.2Å; L314-I325 HydrophobicContact CD1-CG2 4.49Å; L314-I325 HydrophobicContact CG-CG1 4.13Å; I325-V343 CarbonylContact O-C 3.51Å; I325-V343 WeakPolarHBondContact O-CA 3.35Å; I325-Y344 PolarHBondContact N-O 3.05Å; I325-Y344 PolarHBondContact O-N 2.99Å; I325-M346 HydrophobicContact CD1-SD 3.64Å; I325-I349 HydrophobicContact CD1-CD1 3.33Å
326	F	98.8	Very high	92.7	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.009	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.8	171.5	-68.7	-104.8	0	0	0	108.2	V312 F313 L315 V324 I341 V343 I423 I436 V438 D449	V312-F326 CarbonylContact C-O 3.46Å; V312-F326 VanDerWaalsContact CA-O 3.31Å; V312-F326 WeakPolarHBondContact CA-O 3.31Å; V312-F326 WeakPolarHBondContact CG2-O 3.46Å; F313-F326 HydrophobicContact CB-CB 4.38Å; F313-F326 PolarHBondContact N-O 2.88Å; F313-F326 PolarHBondContact O-N 2.86Å; L315-F326 HydrophobicContact CB-CD2 4.3Å; L315-F326 HydrophobicContact CB-CE2 3.94Å; L315-F326 HydrophobicContact CD2-CE2 3.87Å; L315-F326 HydrophobicContact CD2-CZ 4.4Å; V324-F326 HydrophobicContact CB-CE2 4.23Å; V324-F326 HydrophobicContact CG1-CD2 4.22Å; V324-F326 HydrophobicContact CG1-CE2 3.64Å; V324-F326 HydrophobicContact CG1-CZ 4.22Å; F326-I341 HydrophobicContact CD1-CG2 4.22Å; F326-V343 HydrophobicContact CD1-CG2 3.68Å; F326-V343 HydrophobicContact CE1-CG2 3.51Å; F326-V343 HydrophobicContact CG-CG2 4.41Å; F326-V343 HydrophobicContact CZ-CG2 4.11Å; F326-I423 HydrophobicContact CD1-CD1 4.12Å; F326-I423 HydrophobicContact CE1-CD1 3.83Å; F326-I436 HydrophobicContact CB-CD1 4.08Å; F326-I436 HydrophobicContact CD1-CD1 4.47Å; F326-V438 HydrophobicContact CB-CG2 4.39Å; F326-V438 HydrophobicContact CD1-CG2 3.98Å; F326-V438 HydrophobicContact CD2-CB 4.48Å; F326-V438 HydrophobicContact CD2-CG2 4.05Å; F326-V438 HydrophobicContact CE1-CG1 4.31Å; F326-V438 HydrophobicContact CE1-CG2 4.26Å; F326-V438 HydrophobicContact CE2-CB 4.42Å; F326-V438 HydrophobicContact CE2-CG1 4.07Å; F326-V438 HydrophobicContact CE2-CG2 4.33Å; F326-V438 HydrophobicContact CG-CG2 3.88Å; F326-V438 HydrophobicContact CZ-CG1 3.93Å; F326-V438 HydrophobicContact CZ-CG2 4.44Å; F326-D449 HydrophobicContact CZ-CB 4.13Å
327	G	98.6	Very high	92.3	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.4	170.3	0	0	0	0	0	110.1	F329 I341 C342	G327-F329 VanDerWaalsContact C-CE2 3.44Å; G327-F329 VanDerWaalsContact O-CD2 3.22Å; G327-F329 WeakPolarHBondContact O-CD2 3.39Å; G327-F329 VanDerWaalsContact O-CE2 3.26Å; G327-F329 WeakPolarHBondContact O-CE2 3.02Å; G327-I341 WeakPolarHBondContact O-CA 3.46Å; G327-C342 PolarHBondContact N-O 3.25Å; G327-C342 PolarHBondContact O-N 2.98Å
328	L	98.8	Very high	92.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.2	169.7	174.2	63.8	0	0	0	108.6	E310 D311 H339 I341 L433 I436	E310-L328 HydrophobicContact CB-CD2 4.28Å; E310-L328 HydrophobicContact CB-CG 4.22Å; E310-L328 PolarHBondContact N-O 2.8Å; D311-L328 HydrophobicContact CB-CB 4.27Å; D311-L328 HydrophobicContact CB-CD2 4.38Å; D311-L328 PolarHBondContact N-O 2.78Å; D311-L328 PolarHBondContact O-N 2.74Å; L328-H339 HydrophobicContact CD1-CB 4.5Å; L328-I341 HydrophobicContact CD1-CD1 4.32Å; L328-I341 HydrophobicContact CD1-CG1 3.69Å; L328-L433 HydrophobicContact CD1-CB 3.78Å; L328-L433 HydrophobicContact CD1-CD1 3.9Å; L328-L433 HydrophobicContact CD1-CG 4.48Å; L328-L433 HydrophobicContact CD2-CB 3.89Å; L328-L433 HydrophobicContact CG-CB 4.38Å; L328-I436 HydrophobicContact CB-CG2 4.18Å
329	F	98.3	Very high	92.5	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	150.4	-175.2	-59.5	-101	0	0	0	111	T264 L292 C294 F306 E308 L309 G327 H339 A340 C342 Y344	T264-F329 HydrophobicContact CG2-CE1 3.81Å; L292-F329 HydrophobicContact CD2-CE1 4.42Å; L292-F329 HydrophobicContact CD2-CZ 3.87Å; L292-F329 HydrophobicContact CG-CZ 4.23Å; C294-F329 HydrophobicContact CB-CB 4.41Å; C294-F329 HydrophobicContact CB-CD1 4.03Å; C294-F329 HydrophobicContact CB-CD2 3.6Å; C294-F329 HydrophobicContact CB-CE1 4.14Å; C294-F329 HydrophobicContact CB-CE2 3.77Å; C294-F329 HydrophobicContact CB-CG 3.76Å; C294-F329 HydrophobicContact CB-CZ 4.04Å; F306-F329 HydrophobicContact CB-CB 3.54Å; F306-F329 HydrophobicContact CB-CG 4.45Å; F306-F329 WeakPolarHBondContact O-CD1 3.38Å; E308-F329 CarbonylContact O-C 3.56Å; E308-F329 VanDerWaalsContact O-CA 3.23Å; E308-F329 WeakPolarHBondContact O-CA 3.33Å; L309-F329 HydrophobicContact CB-CD1 4.46Å; L309-F329 HydrophobicContact CB-CE1 4.46Å; L309-F329 HydrophobicContact CD1-CD1 4.03Å; L309-F329 HydrophobicContact CD1-CD2 4.41Å; L309-F329 HydrophobicContact CD1-CE1 3.7Å; L309-F329 HydrophobicContact CD1-CE2 4.06Å; L309-F329 HydrophobicContact CD1-CG 4.38Å; L309-F329 HydrophobicContact CD1-CZ 3.69Å; G327-F329 VanDerWaalsContact C-CE2 3.44Å; G327-F329 VanDerWaalsContact O-CD2 3.22Å; G327-F329 WeakPolarHBondContact O-CD2 3.39Å; G327-F329 VanDerWaalsContact O-CE2 3.26Å; G327-F329 WeakPolarHBondContact O-CE2 3.02Å; F329-H339 CarbonylContact O-C 3.56Å; F329-H339 WeakPolarHBondContact O-CA 3.26Å; F329-A340 PolarHBondContact N-O 2.95Å; F329-A340 PolarHBondContact O-N 3.16Å; F329-C342 HydrophobicContact CD2-CB 4.3Å; F329-C342 HydrophobicContact CE2-CB 3.86Å; F329-Y344 AromaticContact CE2-CE2 3.91Å; F329-Y344 HydrophobicContact CE2-CE2 3.91Å; F329-Y344 WeakPolarHBondContact CE2-OH 3.36Å; F329-Y344 AromaticContact CZ-CE2 3.91Å; F329-Y344 HydrophobicContact CZ-CE2 3.91Å; F329-Y344 AromaticContact CZ-CZ 3.97Å; F329-Y344 VanDerWaalsContact CZ-OH 3.22Å; F329-Y344 WeakPolarHBondContact CZ-OH 3.4Å
330	N	96.1	Very high	92.7	Very high	23 Å²	23	44.5 Å²	44.5	12%	0.123	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	158	169.3	-173.4	12.9	0	0	0	109.1	F306 D307 E308 E310 G338	F306-N330 CarbonylContact C-O 3.44Å; F306-N330 WeakPolarHBondContact CA-O 3.32Å; D307-N330 PolarHBondContact N-O 3.23Å; E308-N330 HydrophobicContact CB-CB 4.23Å; E308-N330 WeakPolarHBondContact CB-O 3.32Å; E308-N330 PolarHBondContact N-O 3.39Å; E308-N330 PolarHBondContact O-N 2.81Å; E310-N330 HydrophobicContact CG-CB 3.82Å; N330-G338 WeakPolarHBondContact CA-O 3.36Å; N330-G338 PolarHBondContact OD1-O 2.92Å; N330-G338 VanDerWaalsContact OD1-O 3.07Å
331	T	93.5	Very high	93	Very high	7 Å²	7	39 Å²	39	4%	0.043	20%	0.197	C	C	.	.			trans	-73.4	145.3	169.2	48.2	0	0	0	0	111.1	F306 S333 F336 R337 G338	F306-T331 HydrophobicContact CD1-CG2 3.68Å; F306-T331 HydrophobicContact CE1-CG2 3.75Å; F306-T331 HydrophobicContact CG-CG2 4.42Å; T331-S333 VanDerWaalsContact C-N 3.27Å; T331-S333 PolarHBondContact O-N 2.85Å; T331-F336 WeakPolarHBondContact CB-O 3.43Å; T331-F336 HydrophobicContact CG2-CD1 3.65Å; T331-F336 HydrophobicContact CG2-CE1 3.73Å; T331-F336 PolarHBondContact OG1-O 2.77Å; T331-R337 WeakPolarHBondContact OG1-CA 3.13Å; T331-G338 WeakPolarHBondContact CG2-O 3.36Å; T331-G338 PolarHBondContact N-O 3.01Å; T331-G338 PolarHBondContact OG1-N 3.02Å; T331-G338 PolarHBondContact OG1-O 2.93Å
332	T	88	Confident	93.2	Very high	63 Å²	63	37.1 Å²	37.1	39%	0.387	19%	0.189	S	C	.	.	S	Bend	trans	-76.3	-13.5	173.4	55	0	0	0	0	113.6	I262 D307 E308	I262-T332 HydrophobicContact CB-CG2 3.99Å; I262-T332 HydrophobicContact CD1-CG2 4.49Å; D307-T332 HydrophobicContact CB-CG2 4.06Å; E308-T332 HydrophobicContact CG-CG2 3.75Å; E308-T332 WeakPolarHBondContact OE1-CA 3.46Å
333	S	83.4	Confident	93.3	Very high	48 Å²	48	35 Å²	35	34%	0.336	18%	0.178	S	C	.	.			trans	-80.4	128.3	-175.2	-178.6	0	0	0	0	110.9	T331 I335 F336	T331-S333 VanDerWaalsContact C-N 3.27Å; T331-S333 PolarHBondContact O-N 2.85Å; S333-I335 PolarHBondContact O-N 3.2Å; S333-I335 PolarHBondContact OG-N 2.88Å; S333-F336 CarbonylContact O-C 3.5Å; S333-F336 PolarHBondContact OG-N 2.88Å; S333-F336 VanDerWaalsContact OG-N 3.16Å
334	N	75.8	Confident	93.4	Very high	141 Å²	141	34.5 Å²	34.5	75%	0.754	18%	0.175	S	C	*	.	S	Bend	trans	-70.3	-21	171.9	-74	-35.6	0	0	0	113
335	I	81.4	Confident	93.4	Very high	167 Å²	167	37.8 Å²	37.8	86%	0.856	19%	0.189	S	C	*	.	S	Bend	trans	-89.4	-44.8	-177.2	-57.7	170.5	0	0	0	110.3	S333	S333-I335 PolarHBondContact O-N 3.2Å; S333-I335 PolarHBondContact OG-N 2.88Å
336	F	83.3	Confident	93.3	Very high	91 Å²	91	37.9 Å²	37.9	40%	0.399	19%	0.19	S	C	.	.	S	Bend	trans	-104.3	101.2	176.7	-179.6	-100.3	0	0	0	108.5	T304 T331 S333 T427	T304-F336 HydrophobicContact CG2-CE1 4.09Å; T331-F336 WeakPolarHBondContact CB-O 3.43Å; T331-F336 HydrophobicContact CG2-CD1 3.65Å; T331-F336 HydrophobicContact CG2-CE1 3.73Å; T331-F336 PolarHBondContact OG1-O 2.77Å; S333-F336 CarbonylContact O-C 3.5Å; S333-F336 PolarHBondContact OG-N 2.88Å; S333-F336 VanDerWaalsContact OG-N 3.16Å; F336-T427 HydrophobicContact CE1-CG2 4.3Å; F336-T427 HydrophobicContact CE2-CG2 4.38Å; F336-T427 HydrophobicContact CZ-CG2 3.6Å
337	R	86.6	Confident	93.2	Very high	149 Å²	149	41.2 Å²	41.2	56%	0.562	21%	0.214	S	C	*	.			trans	-95.8	120.6	174.9	-65.1	-175.6	-178.2	-174.2	-2	109.4	T331	T331-R337 WeakPolarHBondContact OG1-CA 3.13Å
338	G	93.6	Very high	93.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	23%	0.23	C	C	.	.			trans	-150	149.9	176.3	0	0	0	0	0	111	F306 N330 T331 K426	F306-G338 WeakPolarHBondContact CD1-O 3.47Å; N330-G338 WeakPolarHBondContact CA-O 3.36Å; N330-G338 PolarHBondContact OD1-O 2.92Å; N330-G338 VanDerWaalsContact OD1-O 3.07Å; T331-G338 WeakPolarHBondContact CG2-O 3.36Å; T331-G338 PolarHBondContact N-O 3.01Å; T331-G338 PolarHBondContact OG1-N 3.02Å; T331-G338 PolarHBondContact OG1-O 2.93Å; G338-K426 CarbonylContact C-O 3.55Å; G338-K426 VanDerWaalsContact CA-O 3.31Å; G338-K426 WeakPolarHBondContact CA-O 3.15Å
339	H	96.9	Very high	93.1	Very high	5 Å²	5	43.6 Å²	43.6	2%	0.023	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.4	175.3	-58.1	77.6	0	0	0	110.5	L328 F329 V425 K426 N432 L433	L328-H339 HydrophobicContact CD1-CB 4.5Å; F329-H339 CarbonylContact O-C 3.56Å; F329-H339 WeakPolarHBondContact O-CA 3.26Å; H339-V425 CarbonylContact O-C 3.56Å; H339-V425 WeakPolarHBondContact O-CA 3.42Å; H339-K426 PolarHBondContact N-O 3.45Å; H339-K426 PolarHBondContact O-N 2.67Å; H339-N432 VanDerWaalsContact CE1-CA 3.44Å; H339-N432 WeakPolarHBondContact CE1-CA 3.4Å; H339-L433 HydrophobicContact CB-CB 4.08Å; H339-L433 HydrophobicContact CB-CD1 3.59Å; H339-L433 HydrophobicContact CB-CG 3.76Å; H339-L433 PolarHBondContact CD2-N 2.77Å; H339-L433 PolarHBondContact CD2-O 2.97Å; H339-L433 PolarHBondContact NE2-N 3.36Å; H339-L433 PolarHBondContact NE2-O 2.87Å
340	A	97.4	Very high	93.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.7	175	0	0	0	0	0	111	F306 F329 P422 L424 V425	F306-A340 HydrophobicContact CB-CB 4.2Å; F306-A340 HydrophobicContact CD1-CB 3.6Å; F306-A340 HydrophobicContact CD2-CB 3.67Å; F306-A340 HydrophobicContact CE1-CB 3.8Å; F306-A340 HydrophobicContact CE2-CB 3.9Å; F306-A340 HydrophobicContact CG-CB 3.55Å; F306-A340 HydrophobicContact CZ-CB 3.95Å; F329-A340 PolarHBondContact N-O 2.95Å; F329-A340 PolarHBondContact O-N 3.16Å; A340-P422 HydrophobicContact CB-CB 4.04Å; A340-P422 HydrophobicContact CB-CG 4.48Å; A340-L424 CarbonylContact C-O 3.53Å; A340-L424 VanDerWaalsContact CA-O 3.24Å; A340-L424 WeakPolarHBondContact CA-O 3.42Å; A340-V425 HydrophobicContact CB-CG2 4.41Å
341	I	98.5	Very high	93.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124	172.6	-58	174.9	0	0	0	108.2	F326 G327 L328 P422 I423 L424 I436 L451 I453	F326-I341 HydrophobicContact CD1-CG2 4.22Å; G327-I341 WeakPolarHBondContact O-CA 3.46Å; L328-I341 HydrophobicContact CD1-CD1 4.32Å; L328-I341 HydrophobicContact CD1-CG1 3.69Å; I341-P422 CarbonylContact O-C 3.58Å; I341-P422 VanDerWaalsContact O-CA 3.29Å; I341-P422 WeakPolarHBondContact O-CA 3.47Å; I341-P422 VanDerWaalsContact O-CB 3.3Å; I341-P422 WeakPolarHBondContact O-CB 3.23Å; I341-I423 HydrophobicContact CB-CG1 4.09Å; I341-I423 HydrophobicContact CG2-CD1 3.95Å; I341-I423 HydrophobicContact CG2-CG1 3.9Å; I341-I423 WeakPolarHBondContact O-CG1 3.39Å; I341-I423 PolarHBondContact O-N 3.31Å; I341-L424 HydrophobicContact CB-CB 4.14Å; I341-L424 HydrophobicContact CD1-CB 4.28Å; I341-L424 HydrophobicContact CD1-CD2 3.65Å; I341-L424 HydrophobicContact CG1-CB 4.35Å; I341-L424 HydrophobicContact CG1-CD2 4.34Å; I341-L424 PolarHBondContact N-O 2.83Å; I341-I436 HydrophobicContact CD1-CD1 3.87Å; I341-I436 HydrophobicContact CG1-CD1 4.43Å; I341-I436 HydrophobicContact CG2-CD1 3.89Å; I341-L451 HydrophobicContact CD1-CD2 3.74Å; I341-L451 HydrophobicContact CG2-CD2 4.19Å; I341-I453 HydrophobicContact CD1-CD1 3.54Å; I341-I453 HydrophobicContact CD1-CG1 4.04Å
342	C	98.4	Very high	93.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.5	177.9	-84.6	0	0	0	0	110.5	C294 G327 F329 Y344 P417	C294-C342 WeakPolarHBondContact CA-SG 3.44Å; C294-C342 HydrophobicContact CB-CB 3.82Å; C294-C342 WeakPolarHBondContact CB-SG 3.41Å; C294-C342 WeakPolarHBondContact SG-CB 3.44Å; C294-C342 CovalentContact SG-SG 2.04Å; C294-C342 PolarHBondContact SG-SG 3.19Å; G327-C342 PolarHBondContact N-O 3.25Å; G327-C342 PolarHBondContact O-N 2.98Å; F329-C342 HydrophobicContact CD2-CB 4.3Å; F329-C342 HydrophobicContact CE2-CB 3.86Å; C342-Y344 HydrophobicContact CB-CE2 3.66Å; C342-Y344 WeakPolarHBondContact CB-OH 3.39Å; C342-P417 HydrophobicContact CB-CB 3.82Å; C342-P417 HydrophobicContact CB-CG 4.42Å
343	V	98.4	Very high	93.9	Very high	14 Å²	14	43.5 Å²	43.5	9%	0.085	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.5	179.5	-179.1	0	0	0	0	109.6	V324 I325 F326 P417 A418 I423	V324-V343 HydrophobicContact CG1-CG1 3.34Å; I325-V343 CarbonylContact O-C 3.51Å; I325-V343 WeakPolarHBondContact O-CA 3.35Å; F326-V343 HydrophobicContact CD1-CG2 3.68Å; F326-V343 HydrophobicContact CE1-CG2 3.51Å; F326-V343 HydrophobicContact CG-CG2 4.41Å; F326-V343 HydrophobicContact CZ-CG2 4.11Å; V343-P417 CarbonylContact O-C 3.52Å; V343-P417 VanDerWaalsContact O-CA 3.23Å; V343-P417 WeakPolarHBondContact O-CA 3.4Å; V343-P417 WeakPolarHBondContact O-CB 3.42Å; V343-A418 HydrophobicContact CB-CB 4.3Å; V343-A418 HydrophobicContact CG1-CB 4.47Å; V343-A418 PolarHBondContact O-N 3.37Å; V343-I423 HydrophobicContact CG2-CD1 3.58Å; V343-I423 HydrophobicContact CG2-CG1 4.01Å; V343-I423 HydrophobicContact CG2-CG2 3.8Å
344	Y	98.6	Very high	94.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.6	179.9	-52.5	-90.5	0	0	0	111.2	L292 V293 I325 F329 C342 I415 P417	L292-Y344 HydrophobicContact CD1-CD1 3.52Å; L292-Y344 HydrophobicContact CD1-CD2 4.13Å; L292-Y344 HydrophobicContact CD1-CE1 3.37Å; L292-Y344 HydrophobicContact CD1-CE2 4.01Å; L292-Y344 HydrophobicContact CD1-CG 3.9Å; L292-Y344 HydrophobicContact CD2-CD2 4.44Å; L292-Y344 HydrophobicContact CD2-CE2 3.99Å; L292-Y344 HydrophobicContact CG-CD1 4.45Å; L292-Y344 HydrophobicContact CG-CE1 3.87Å; L292-Y344 HydrophobicContact CG-CE2 4.01Å; V293-Y344 VanDerWaalsContact C-OH 3.3Å; V293-Y344 PolarHBondContact O-OH 2.79Å; I325-Y344 PolarHBondContact N-O 3.05Å; I325-Y344 PolarHBondContact O-N 2.99Å; F329-Y344 AromaticContact CE2-CE2 3.91Å; F329-Y344 HydrophobicContact CE2-CE2 3.91Å; F329-Y344 WeakPolarHBondContact CE2-OH 3.36Å; F329-Y344 AromaticContact CZ-CE2 3.91Å; F329-Y344 HydrophobicContact CZ-CE2 3.91Å; F329-Y344 AromaticContact CZ-CZ 3.97Å; F329-Y344 VanDerWaalsContact CZ-OH 3.22Å; F329-Y344 WeakPolarHBondContact CZ-OH 3.4Å; C342-Y344 HydrophobicContact CB-CE2 3.66Å; C342-Y344 WeakPolarHBondContact CB-OH 3.39Å; Y344-I415 HydrophobicContact CD1-CG2 3.9Å; Y344-I415 HydrophobicContact CE1-CG2 4.46Å; Y344-P417 HydrophobicContact CD1-CB 4.12Å; Y344-P417 HydrophobicContact CE1-CB 3.71Å; Y344-P417 HydrophobicContact CE1-CG 4.47Å
345	H	97.6	Very high	95.5	Very high	81 Å²	81	39.4 Å²	39.4	38%	0.375	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	144.8	173.6	-63.2	-58.9	0	0	0	110.7	S347 S348 I349	H345-S347 PolarHBondContact O-N 2.67Å; H345-S347 VanDerWaalsContact O-N 3.15Å; H345-S348 PolarHBondContact O-N 3.33Å; H345-S348 VanDerWaalsContact O-N 3.09Å; H345-I349 PolarHBondContact O-N 2.87Å
346	M	97.4	Very high	96.3	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-58.3	-27	175.9	-75.7	-56	-61.7	0	0	113.4	I233 Y245 P323 I325 I349 R350	I233-M346 HydrophobicContact CB-CE 4.36Å; I233-M346 HydrophobicContact CD1-CE 4.2Å; I233-M346 HydrophobicContact CD1-SD 3.74Å; I233-M346 HydrophobicContact CG2-CE 3.91Å; I233-M346 HydrophobicContact CG2-CG 4.37Å; I233-M346 HydrophobicContact CG2-SD 4.24Å; Y245-M346 HydrophobicContact CE1-CE 4.14Å; Y245-M346 HydrophobicContact CE2-CE 3.91Å; P323-M346 HydrophobicContact CG-CG 4.09Å; I325-M346 HydrophobicContact CD1-SD 3.64Å; M346-I349 HydrophobicContact CE-CG2 4.5Å; M346-I349 PolarHBondContact O-N 3.47Å; M346-I349 HydrophobicContact SD-CD1 3.96Å; M346-R350 WeakPolarHBondContact O-CB 3.36Å; M346-R350 VanDerWaalsContact O-CG 3.27Å; M346-R350 WeakPolarHBondContact O-CG 3.15Å; M346-R350 PolarHBondContact O-N 3.49Å
347	S	97	Very high	97	Very high	73 Å²	73	29.1 Å²	29.1	51%	0.51	16%	0.161	S	C	.	.	H	α-helix	trans	-58.7	-46	173.9	52.1	0	0	0	0	112.3	H345 A351	H345-S347 PolarHBondContact O-N 2.67Å; H345-S347 VanDerWaalsContact O-N 3.15Å; S347-A351 VanDerWaalsContact O-CB 3.31Å; S347-A351 WeakPolarHBondContact O-CB 3.23Å; S347-A351 PolarHBondContact O-N 3.49Å
348	S	97.6	Very high	97.3	Very high	50 Å²	50	22.2 Å²	22.2	35%	0.35	14%	0.136	S	C	.	.	H	α-helix	trans	-66.6	-39.6	177.1	-57.7	0	0	0	0	112.2	H345 A351 A352	H345-S348 PolarHBondContact O-N 3.33Å; H345-S348 VanDerWaalsContact O-N 3.09Å; S348-A351 PolarHBondContact O-N 3.16Å; S348-A352 PolarHBondContact O-N 2.92Å
349	I	98.3	Very high	97.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.4	-50.1	177.7	-63.6	-178.8	0	0	0	110.3	Y245 V266 I325 H345 M346 A351 A352 F353 I415	Y245-I349 HydrophobicContact CD1-CG2 4.43Å; Y245-I349 HydrophobicContact CE1-CG2 3.93Å; V266-I349 HydrophobicContact CG1-CG2 4.46Å; I325-I349 HydrophobicContact CD1-CD1 3.33Å; H345-I349 PolarHBondContact O-N 2.87Å; M346-I349 HydrophobicContact CE-CG2 4.5Å; M346-I349 PolarHBondContact O-N 3.47Å; M346-I349 HydrophobicContact SD-CD1 3.96Å; I349-A351 VanDerWaalsContact C-N 3.32Å; I349-A351 PolarHBondContact O-N 3.36Å; I349-A352 PolarHBondContact O-N 2.84Å; I349-F353 HydrophobicContact CG2-CD2 3.75Å; I349-F353 HydrophobicContact CG2-CE2 3.53Å; I349-F353 WeakPolarHBondContact O-CD2 3.29Å; I349-F353 PolarHBondContact O-N 2.85Å; I349-F353 VanDerWaalsContact O-N 3.14Å; I349-I415 HydrophobicContact CB-CD1 4.45Å; I349-I415 HydrophobicContact CG1-CD1 4.17Å; I349-I415 HydrophobicContact CG1-CG2 3.96Å; I349-I415 HydrophobicContact CG2-CD1 4.33Å
350	R	97.4	Very high	96.4	Very high	37 Å²	37	28 Å²	28	14%	0.14	16%	0.161	C	C	.	.	H	α-helix	trans	-61.9	-39.6	177	-70.5	174	-172.7	129.4	3.5	112.1	P234 D235 K321 N322 M346 A352 F353 N354	P234-R350 PolarHBondContact O-NH2 3.39Å; P234-R350 VanDerWaalsContact O-NH2 3.17Å; D235-R350 IonicContact OD1-CZ 3.57Å; D235-R350 IonicContact OD1-NE 3.27Å; D235-R350 PolarHBondContact OD1-NE 3.42Å; D235-R350 IonicContact OD1-NH2 3.04Å; K321-R350 PolarHBondContact O-NH2 3.02Å; N322-R350 PolarHBondContact OD1-NH1 3.2Å; M346-R350 WeakPolarHBondContact O-CB 3.36Å; M346-R350 VanDerWaalsContact O-CG 3.27Å; M346-R350 WeakPolarHBondContact O-CG 3.15Å; M346-R350 PolarHBondContact O-N 3.49Å; R350-A352 PolarHBondContact O-N 2.79Å; R350-F353 PolarHBondContact O-N 3.27Å; R350-N354 VanDerWaalsContact O-CB 3.3Å; R350-N354 WeakPolarHBondContact O-CB 3.27Å; R350-N354 VanDerWaalsContact O-CG 3.22Å; R350-N354 PolarHBondContact O-N 2.83Å; R350-N354 PolarHBondContact O-ND2 3.07Å
351	A	97.8	Very high	95.1	Very high	52 Å²	52	34.4 Å²	34.4	43%	0.43	19%	0.191	S	C	.	.	H	α-helix	trans	-59.1	-46.2	176.4	0	0	0	0	0	111.4	S347 S348 I349 F353 N354 G355	S347-A351 VanDerWaalsContact O-CB 3.31Å; S347-A351 WeakPolarHBondContact O-CB 3.23Å; S347-A351 PolarHBondContact O-N 3.49Å; S348-A351 PolarHBondContact O-N 3.16Å; I349-A351 VanDerWaalsContact C-N 3.32Å; I349-A351 PolarHBondContact O-N 3.36Å; A351-F353 PolarHBondContact O-N 2.93Å; A351-N354 CarbonylContact O-C 3.54Å; A351-N354 PolarHBondContact O-N 2.8Å; A351-G355 PolarHBondContact O-N 2.96Å
352	A	98.1	Very high	93.5	Very high	3 Å²	3	36.3 Å²	36.3	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-45.1	177.3	0	0	0	0	0	112.2	A290 S348 I349 R350 N354 G355 M411 Q413 I415	A290-A352 HydrophobicContact CB-CB 4.46Å; S348-A352 PolarHBondContact O-N 2.92Å; I349-A352 PolarHBondContact O-N 2.84Å; R350-A352 PolarHBondContact O-N 2.79Å; A352-N354 VanDerWaalsContact C-N 3.31Å; A352-N354 PolarHBondContact O-N 3.32Å; A352-G355 WeakPolarHBondContact O-CA 3.12Å; A352-G355 PolarHBondContact O-N 2.9Å; A352-M411 WeakPolarHBondContact O-CE 3.43Å; A352-Q413 HydrophobicContact CB-CB 4.49Å; A352-I415 HydrophobicContact CB-CD1 4.27Å; A352-I415 HydrophobicContact CB-CG1 3.54Å
353	F	98.1	Very high	91.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-73.6	-19.4	178.6	-71.8	-65.8	0	0	0	114.9	Y245 V266 R268 L288 A290 I349 R350 A351 G355 M411	Y245-F353 HydrophobicContact CD1-CE2 4.33Å; Y245-F353 HydrophobicContact CE1-CD2 4.41Å; Y245-F353 AromaticContact CE1-CE2 3.9Å; Y245-F353 HydrophobicContact CE1-CE2 3.9Å; V266-F353 HydrophobicContact CB-CZ 4.45Å; V266-F353 HydrophobicContact CG1-CE2 4.25Å; V266-F353 HydrophobicContact CG1-CZ 4.28Å; V266-F353 WeakPolarHBondContact O-CZ 3.35Å; R268-F353 HydrophobicContact CB-CE1 4.33Å; R268-F353 HydrophobicContact CB-CE2 4.13Å; R268-F353 HydrophobicContact CB-CZ 3.9Å; R268-F353 HydrophobicContact CG-CD1 3.97Å; R268-F353 HydrophobicContact CG-CD2 4.34Å; R268-F353 HydrophobicContact CG-CE1 3.73Å; R268-F353 HydrophobicContact CG-CE2 4.11Å; R268-F353 HydrophobicContact CG-CG 4.28Å; R268-F353 HydrophobicContact CG-CZ 3.8Å; R268-F353 PolarHBondContact NH2-O 2.94Å; L288-F353 HydrophobicContact CB-CD1 3.94Å; L288-F353 HydrophobicContact CB-CE1 3.93Å; L288-F353 HydrophobicContact CD1-CD1 4.49Å; A290-F353 HydrophobicContact CB-CE1 4.21Å; A290-F353 HydrophobicContact CB-CZ 4.39Å; I349-F353 HydrophobicContact CG2-CD2 3.75Å; I349-F353 HydrophobicContact CG2-CE2 3.53Å; I349-F353 WeakPolarHBondContact O-CD2 3.29Å; I349-F353 PolarHBondContact O-N 2.85Å; I349-F353 VanDerWaalsContact O-N 3.14Å; R350-F353 PolarHBondContact O-N 3.27Å; A351-F353 PolarHBondContact O-N 2.93Å; F353-G355 VanDerWaalsContact C-N 3.34Å; F353-M411 HydrophobicContact CD1-CG 3.68Å; F353-M411 HydrophobicContact CD1-SD 4.33Å; F353-M411 HydrophobicContact CE1-CG 4.21Å; F353-M411 WeakPolarHBondContact O-CE 3.38Å
354	N	96.6	Very high	90	Very high	93 Å²	93	49 Å²	49	50%	0.497	28%	0.28	S	S	.	.	H	α-helix	trans	-91.2	-3.1	169.5	-66.4	-22.8	0	0	0	111.9	R350 A351 A352 R378	R350-N354 VanDerWaalsContact O-CB 3.3Å; R350-N354 WeakPolarHBondContact O-CB 3.27Å; R350-N354 VanDerWaalsContact O-CG 3.22Å; R350-N354 PolarHBondContact O-N 2.83Å; R350-N354 PolarHBondContact O-ND2 3.07Å; A351-N354 CarbonylContact O-C 3.54Å; A351-N354 PolarHBondContact O-N 2.8Å; A352-N354 VanDerWaalsContact C-N 3.31Å; A352-N354 PolarHBondContact O-N 3.32Å; N354-R378 PolarHBondContact O-NH1 2.04Å; N354-R378 PolarHBondContact O-NH2 3.28Å
355	G	97	Very high	88.9	Confident	10 Å²	10	57.3 Å²	57.3	10%	0.103	31%	0.313	C	S	.	.	S	Bend	trans	-83.3	-175.6	176.4	0	0	0	0	0	113.3	A351 A352 F353 R378 M411	A351-G355 PolarHBondContact O-N 2.96Å; A352-G355 WeakPolarHBondContact O-CA 3.12Å; A352-G355 PolarHBondContact O-N 2.9Å; F353-G355 VanDerWaalsContact C-N 3.34Å; G355-R378 PolarHBondContact O-NH2 3.27Å; G355-M411 WeakPolarHBondContact O-CE 3.1Å
356	P	97.3	Very high	88.2	Confident	39 Å²	39	57 Å²	57	25%	0.253	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-66.8	150.2	-176.7	25.2	-32.2	0	0	0	113.2	V369 Y412 Q413	P356-V369 HydrophobicContact CB-CG1 3.77Å; P356-V369 HydrophobicContact CG-CG1 4.22Å; P356-Y412 HydrophobicContact CG-CD1 4.5Å; P356-Y412 WeakPolarHBondContact O-CB 3.27Å; P356-Y412 PolarHBondContact O-N 3.28Å; P356-Q413 HydrophobicContact CG-CG 4.22Å
357	Y	97.8	Very high	87.7	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.008	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-77.2	146.9	171.8	-58.1	-90.3	0	0	0	110.1	L288 Y370 V374 R378 P379 F404 H408 M411	L288-Y357 HydrophobicContact CD1-CE1 4.19Å; L288-Y357 HydrophobicContact CD2-CD1 4.26Å; L288-Y357 HydrophobicContact CD2-CE1 3.8Å; Y357-Y370 WeakPolarHBondContact O-CB 3.21Å; Y357-Y370 PolarHBondContact O-N 3.46Å; Y357-V374 HydrophobicContact CD2-CG2 4.21Å; Y357-V374 HydrophobicContact CE2-CG1 3.87Å; Y357-V374 HydrophobicContact CE2-CG2 4.12Å; Y357-R378 VanDerWaalsContact OH-CG 3.23Å; Y357-R378 WeakPolarHBondContact OH-CG 3.33Å; Y357-R378 PolarHBondContact OH-NE 2.97Å; Y357-P379 HydrophobicContact CE1-CB 4.43Å; Y357-P379 PolarHBondContact OH-O 2.97Å; Y357-F404 AromaticContact CD1-CE1 3.93Å; Y357-F404 HydrophobicContact CD1-CE1 3.93Å; Y357-F404 AromaticContact CD2-CE1 3.67Å; Y357-F404 HydrophobicContact CD2-CE1 3.67Å; Y357-F404 AromaticContact CD2-CZ 3.85Å; Y357-F404 HydrophobicContact CD2-CZ 3.85Å; Y357-F404 HydrophobicContact CE1-CE1 4.13Å; Y357-F404 AromaticContact CE2-CE1 3.9Å; Y357-F404 HydrophobicContact CE2-CE1 3.9Å; Y357-F404 HydrophobicContact CE2-CZ 4.37Å; Y357-F404 AromaticContact CG-CE1 3.7Å; Y357-F404 HydrophobicContact CG-CE1 3.7Å; Y357-F404 HydrophobicContact CG-CZ 4.04Å; Y357-H408 HydrophobicContact CD1-CB 4.26Å; Y357-H408 HydrophobicContact CG-CB 4.46Å; Y357-M411 HydrophobicContact CD1-CE 4.09Å; Y357-M411 HydrophobicContact CD1-SD 3.87Å; Y357-M411 HydrophobicContact CE1-CE 4.14Å; Y357-M411 HydrophobicContact CE1-SD 3.95Å; Y357-M411 HydrophobicContact CG-CE 4.46Å
358	A	94.5	Very high	87.3	Confident	5 Å²	5	57.3 Å²	57.3	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	145.4	167.8	0	0	0	0	0	109.3	W367 S368 L410 Y412	A358-W367 HydrophobicContact CB-CE3 3.92Å; A358-W367 HydrophobicContact CB-CZ3 4.14Å; A358-S368 WeakPolarHBondContact CA-O 3.1Å; A358-L410 HydrophobicContact CB-CB 4.17Å; A358-L410 HydrophobicContact CB-CD2 3.93Å; A358-L410 HydrophobicContact CB-CG 3.84Å; A358-L410 PolarHBondContact N-O 3.16Å; A358-Y412 HydrophobicContact CB-CD2 4.39Å
359	H	88.3	Confident	87.1	Confident	20 Å²	20	57.3 Å²	57.3	9%	0.093	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	154.7	-178.6	-177.3	63.1	0	0	0	111.7	E361 W367 S368 Y370 H408	H359-E361 PolarHBondContact CD2-N 3.48Å; H359-E361 WeakPolarHBondContact CE1-CG 3.45Å; H359-E361 IonicContact CE1-OE1 3.79Å; H359-E361 PolarHBondContact CE1-OE1 3Å; H359-E361 IonicContact CE1-OE2 2.76Å; H359-E361 WeakPolarHBondContact NE2-CB 3.3Å; H359-E361 WeakPolarHBondContact NE2-CG 3.41Å; H359-E361 PolarHBondContact NE2-N 3.21Å; H359-E361 IonicContact NE2-OE1 3.47Å; H359-E361 IonicContact NE2-OE2 2.8Å; H359-E361 PolarHBondContact NE2-OE2 2.84Å; H359-E361 VanDerWaalsContact NE2-OE2 3.16Å; H359-W367 WeakPolarHBondContact O-CA 3.49Å; H359-S368 PolarHBondContact N-O 3.03Å; H359-S368 PolarHBondContact O-N 2.86Å; H359-Y370 HydrophobicContact CB-CD2 4.25Å; H359-H408 AromaticContact CE1-CE1 3.88Å; H359-H408 AromaticContact CE1-NE2 3.31Å; H359-H408 PolarHBondContact CE1-NE2 2.95Å; H359-H408 VanDerWaalsContact CE1-NE2 3.31Å; H359-H408 AromaticContact CG-CD2 3.95Å; H359-H408 AromaticContact CG-NE2 3.51Å; H359-H408 AromaticContact ND1-CD2 3.45Å; H359-H408 PolarHBondContact ND1-CD2 3.42Å; H359-H408 AromaticContact ND1-CE1 3.7Å; H359-H408 AromaticContact ND1-NE2 2.83Å; H359-H408 PolarHBondContact ND1-NE2 3.46Å
360	K	82.4	Confident	86.9	Confident	106 Å²	106	60 Å²	60	46%	0.461	32%	0.315	S	S	.	.			trans	-130	68.7	178.7	-167	-172.3	-177.1	176.4	0	109.8	Y365 W367	K360-Y365 WeakPolarHBondContact CE-O 3.41Å; K360-W367 HydrophobicContact CB-CD2 3.96Å; K360-W367 HydrophobicContact CB-CE3 4.12Å; K360-W367 HydrophobicContact CB-CG 4.41Å; K360-W367 HydrophobicContact CB-CZ2 4.38Å; K360-W367 HydrophobicContact CB-CZ3 4.4Å
361	E	70.1	Confident	86.6	Confident	136 Å²	136	67 Å²	67	64%	0.636	35%	0.349	S	S	*	.			trans	-137.8	155.2	164.3	-59.8	167.3	-172.4	0	0	109.5	H359	H359-E361 PolarHBondContact CD2-N 3.48Å; H359-E361 WeakPolarHBondContact CE1-CG 3.45Å; H359-E361 IonicContact CE1-OE1 3.79Å; H359-E361 PolarHBondContact CE1-OE1 3Å; H359-E361 IonicContact CE1-OE2 2.76Å; H359-E361 WeakPolarHBondContact NE2-CB 3.3Å; H359-E361 WeakPolarHBondContact NE2-CG 3.41Å; H359-E361 PolarHBondContact NE2-N 3.21Å; H359-E361 IonicContact NE2-OE1 3.47Å; H359-E361 IonicContact NE2-OE2 2.8Å; H359-E361 PolarHBondContact NE2-OE2 2.84Å; H359-E361 VanDerWaalsContact NE2-OE2 3.16Å
362	G	63.9	Low	86.2	Confident	39 Å²	39	66.4 Å²	66.4	40%	0.402	35%	0.348	S	S	.	.	S	Bend	trans	130.3	168.3	-176.1	0	0	0	0	0	111.8	E364 Y365	G362-E364 PolarHBondContact O-N 2.88Å; G362-Y365 WeakPolarHBondContact O-CD2 3.46Å; G362-Y365 PolarHBondContact O-N 2.9Å
363	P	58.5	Low	86.1	Confident	131 Å²	131	75.2 Å²	75.2	85%	0.851	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.7	-175	22.4	-31.7	0	0	0	113.8
364	E	66.8	Low	86	Confident	151 Å²	151	77.8 Å²	77.8	71%	0.706	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-7.3	-177.7	-59	-159.4	178.3	0	0	114.3	G362 H366	G362-E364 PolarHBondContact O-N 2.88Å; E364-H366 VanDerWaalsContact CB-CD2 3.43Å; E364-H366 WeakPolarHBondContact CB-CD2 3.27Å; E364-H366 PolarHBondContact O-N 2.88Å; E364-H366 IonicContact OE2-CD2 2.95Å; E364-H366 PolarHBondContact OE2-CD2 2.78Å; E364-H366 IonicContact OE2-NE2 3.09Å
365	Y	74.8	Confident	86	Confident	174 Å²	174	74.1 Å²	74.1	68%	0.682	38%	0.383	S	S	*	.			trans	50.7	26.6	177.5	-75.6	-92.2	0	0	0	115.6	K360 G362	K360-Y365 WeakPolarHBondContact CE-O 3.41Å; G362-Y365 WeakPolarHBondContact O-CD2 3.46Å; G362-Y365 PolarHBondContact O-N 2.9Å
366	H	81.7	Confident	85.9	Confident	75 Å²	75	78.4 Å²	78.4	35%	0.347	40%	0.397	S	S	.	.			trans	-98.2	165.1	176.4	78.7	71.4	0	0	0	110.9	E256 E364	E256-H366 WeakPolarHBondContact OE1-CB 3.18Å; E256-H366 IonicContact OE1-CG 3.69Å; E256-H366 IonicContact OE1-ND1 3.53Å; E364-H366 VanDerWaalsContact CB-CD2 3.43Å; E364-H366 WeakPolarHBondContact CB-CD2 3.27Å; E364-H366 PolarHBondContact O-N 2.88Å; E364-H366 IonicContact OE2-CD2 2.95Å; E364-H366 PolarHBondContact OE2-CD2 2.78Å; E364-H366 IonicContact OE2-NE2 3.09Å
367	W	86.9	Confident	85.9	Confident	46 Å²	46	76.8 Å²	76.8	17%	0.174	39%	0.386	C	S	.	.			trans	-80.9	133.3	178.2	-76.6	88	0	0	0	110.2	L253 E254 E256 A358 H359 K360 L410	L253-W367 HydrophobicContact CB-CZ2 4.09Å; L253-W367 PolarHBondContact O-NE1 2.83Å; E254-W367 VanDerWaalsContact CA-NE1 3.35Å; E254-W367 HydrophobicContact CB-CB 4.09Å; E254-W367 HydrophobicContact CB-CD2 3.88Å; E254-W367 HydrophobicContact CB-CG 3.58Å; E256-W367 PolarHBondContact OE1-N 2.86Å; A358-W367 HydrophobicContact CB-CE3 3.92Å; A358-W367 HydrophobicContact CB-CZ3 4.14Å; H359-W367 WeakPolarHBondContact O-CA 3.49Å; K360-W367 HydrophobicContact CB-CD2 3.96Å; K360-W367 HydrophobicContact CB-CE3 4.12Å; K360-W367 HydrophobicContact CB-CG 4.41Å; K360-W367 HydrophobicContact CB-CZ2 4.38Å; K360-W367 HydrophobicContact CB-CZ3 4.4Å; W367-L410 HydrophobicContact CE3-CD2 4.16Å; W367-L410 HydrophobicContact CH2-CD2 4.16Å; W367-L410 HydrophobicContact CZ3-CB 4.45Å; W367-L410 HydrophobicContact CZ3-CD2 3.89Å
368	S	90.4	Very high	85.8	Confident	34 Å²	34	80.6 Å²	80.6	24%	0.238	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	173.4	-176.2	70	0	0	0	0	112.5	A358 H359	A358-S368 WeakPolarHBondContact CA-O 3.1Å; H359-S368 PolarHBondContact N-O 3.03Å; H359-S368 PolarHBondContact O-N 2.86Å
369	V	93.5	Very high	85.9	Confident	50 Å²	50	80.6 Å²	80.6	30%	0.303	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	129.4	171.6	-179.9	0	0	0	0	108.9	P356 E371 Y412	P356-V369 HydrophobicContact CB-CG1 3.77Å; P356-V369 HydrophobicContact CG-CG1 4.22Å; V369-E371 HydrophobicContact CG1-CG 4.44Å; V369-E371 PolarHBondContact O-N 3.08Å; V369-Y412 HydrophobicContact CB-CD2 4.46Å; V369-Y412 HydrophobicContact CG2-CD1 3.47Å; V369-Y412 VanDerWaalsContact CG2-CD1 3.47Å; V369-Y412 HydrophobicContact CG2-CD2 3.78Å; V369-Y412 HydrophobicContact CG2-CE1 3.3Å; V369-Y412 HydrophobicContact CG2-CE2 3.63Å; V369-Y412 HydrophobicContact CG2-CG 3.7Å
370	Y	93.4	Very high	86.3	Confident	58 Å²	58	79.8 Å²	79.8	23%	0.227	40%	0.397	C	S	.	.			trans	-72.8	110	168.5	-179	-99.5	0	0	0	110.7	Y357 H359 G372 K373 V374 F404 H408	Y357-Y370 WeakPolarHBondContact O-CB 3.21Å; Y357-Y370 PolarHBondContact O-N 3.46Å; H359-Y370 HydrophobicContact CB-CD2 4.25Å; Y370-G372 WeakPolarHBondContact CE1-O 3.47Å; Y370-G372 VanDerWaalsContact CZ-CA 3.42Å; Y370-K373 PolarHBondContact OH-O 2.83Å; Y370-V374 HydrophobicContact CD1-CG2 4.16Å; Y370-V374 HydrophobicContact CE1-CG2 4.05Å; Y370-F404 AromaticContact CD1-CE2 3.95Å; Y370-F404 HydrophobicContact CD1-CE2 3.95Å; Y370-F404 AromaticContact CD1-CZ 3.8Å; Y370-F404 HydrophobicContact CD1-CZ 3.8Å; Y370-F404 HydrophobicContact CD2-CE2 4.46Å; Y370-F404 AromaticContact CE1-CE2 3.45Å; Y370-F404 HydrophobicContact CE1-CE2 3.45Å; Y370-F404 VanDerWaalsContact CE1-CE2 3.45Å; Y370-F404 AromaticContact CE1-CZ 3.77Å; Y370-F404 HydrophobicContact CE1-CZ 3.77Å; Y370-F404 HydrophobicContact CE2-CE2 4.06Å; Y370-F404 HydrophobicContact CG-CE2 4.41Å; Y370-F404 HydrophobicContact CG-CZ 4.27Å; Y370-F404 AromaticContact CZ-CE2 3.53Å; Y370-H408 AromaticContact CD2-NE2 3.8Å
371	E	90.5	Very high	86.9	Confident	182 Å²	182	75.7 Å²	75.7	85%	0.85	38%	0.382	S	S	*	.			trans	-95.1	-6	178.9	-60.1	-169.8	146.3	0	0	113.6	V369	V369-E371 HydrophobicContact CG1-CG 4.44Å; V369-E371 PolarHBondContact O-N 3.08Å
372	G	90.7	Very high	88.2	Confident	40 Å²	40	69.2 Å²	69.2	41%	0.412	35%	0.351	S	S	.	.	S	Bend	trans	-71.2	179.1	-179.5	0	0	0	0	0	113.6	Y370 V374	Y370-G372 WeakPolarHBondContact CE1-O 3.47Å; Y370-G372 VanDerWaalsContact CZ-CA 3.42Å; G372-V374 PolarHBondContact O-N 2.92Å
373	K	94.3	Very high	89.8	Confident	189 Å²	189	67.7 Å²	67.7	82%	0.822	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-69.9	125.1	176.5	-173.9	179.5	177.9	-175.7	0	110.2	Y370	Y370-K373 PolarHBondContact OH-O 2.83Å
374	V	96.8	Very high	91.5	Very high	54 Å²	54	61.8 Å²	61.8	33%	0.327	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-84.7	129	171.3	180	0	0	0	0	109	Y357 Y370 G372 R378	Y357-V374 HydrophobicContact CD2-CG2 4.21Å; Y357-V374 HydrophobicContact CE2-CG1 3.87Å; Y357-V374 HydrophobicContact CE2-CG2 4.12Å; Y370-V374 HydrophobicContact CD1-CG2 4.16Å; Y370-V374 HydrophobicContact CE1-CG2 4.05Å; G372-V374 PolarHBondContact O-N 2.92Å; V374-R378 HydrophobicContact CG1-CG 4.38Å
375	P	96.9	Very high	92.8	Very high	15 Å²	15	62.5 Å²	62.5	10%	0.097	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-70.5	165.5	-179.9	28.9	-34.8	0	0	0	112.6	P377 P379 A401 F404	P375-P377 CarbonylContact O-C 3.41Å; P375-P379 HydrophobicContact CG-CG 3.84Å; P375-A401 HydrophobicContact CB-CB 4.2Å; P375-A401 HydrophobicContact CG-CB 4.26Å; P375-F404 HydrophobicContact CG-CB 3.64Å; P375-F404 HydrophobicContact CG-CD2 4.23Å; P375-F404 HydrophobicContact CG-CG 3.9Å
376	Y	95.1	Very high	93.5	Very high	101 Å²	101	58 Å²	58	40%	0.396	29%	0.288	S	S	.	.	S	Bend	trans	-116.2	137	176	-178.6	-87.6	0	0	0	110.4	N387 Y391 P398	Y376-N387 PolarHBondContact OH-O 3.29Å; Y376-Y391 HydrophobicContact CD1-CE2 4.3Å; Y376-Y391 AromaticContact CE1-CE2 3.86Å; Y376-Y391 HydrophobicContact CE1-CE2 3.86Å; Y376-P398 WeakPolarHBondContact O-CG 3.44Å
377	P	95.7	Very high	93.8	Very high	4 Å²	4	56.6 Å²	56.6	3%	0.026	28%	0.283	C	S	.	.	S	Bend	cis	-65.9	155.5	-1.5	30.7	-30.8	0	0	0	110.6	P375 P379 Y391 Y397	P375-P377 CarbonylContact O-C 3.41Å; P377-P379 WeakPolarHBondContact O-CD 3.3Å; P377-Y391 HydrophobicContact CB-CD2 4.35Å; P377-Y391 HydrophobicContact CB-CE2 4.14Å; P377-Y391 HydrophobicContact CG-CD2 3.96Å; P377-Y391 HydrophobicContact CG-CE2 3.76Å; P377-Y397 HydrophobicContact CB-CE1 4.5Å; P377-Y397 HydrophobicContact CG-CD1 3.61Å; P377-Y397 HydrophobicContact CG-CD2 4.09Å; P377-Y397 HydrophobicContact CG-CE1 3.58Å; P377-Y397 HydrophobicContact CG-CE2 4.05Å; P377-Y397 HydrophobicContact CG-CG 3.86Å
378	R	96.5	Very high	93.7	Very high	82 Å²	82	56.7 Å²	56.7	31%	0.309	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-59.2	125.4	-176.5	179.9	173.1	-176.8	157.1	1.9	109.4	N354 G355 Y357 V374 G380 S381	N354-R378 PolarHBondContact O-NH1 2.04Å; N354-R378 PolarHBondContact O-NH2 3.28Å; G355-R378 PolarHBondContact O-NH2 3.27Å; Y357-R378 VanDerWaalsContact OH-CG 3.23Å; Y357-R378 WeakPolarHBondContact OH-CG 3.33Å; Y357-R378 PolarHBondContact OH-NE 2.97Å; V374-R378 HydrophobicContact CG1-CG 4.38Å; R378-G380 PolarHBondContact O-N 2.85Å; R378-S381 WeakPolarHBondContact O-CB 3.26Å; R378-S381 PolarHBondContact O-N 2.94Å; R378-S381 PolarHBondContact O-OG 2.84Å
379	P	97.4	Very high	93.5	Very high	6 Å²	6	57.4 Å²	57.4	4%	0.039	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	126.1	178.8	-34.2	42.2	0	0	0	112.2	Y357 P375 P377 F404 A405	Y357-P379 HydrophobicContact CE1-CB 4.43Å; Y357-P379 PolarHBondContact OH-O 2.97Å; P375-P379 HydrophobicContact CG-CG 3.84Å; P377-P379 WeakPolarHBondContact O-CD 3.3Å; P379-F404 HydrophobicContact CB-CD1 3.8Å; P379-F404 HydrophobicContact CB-CE1 4.45Å; P379-F404 HydrophobicContact CG-CB 4.02Å; P379-F404 HydrophobicContact CG-CD1 3.44Å; P379-F404 VanDerWaalsContact CG-CD1 3.44Å; P379-F404 HydrophobicContact CG-CE1 4.23Å; P379-F404 HydrophobicContact CG-CG 3.98Å; P379-A405 HydrophobicContact CB-CB 4.01Å
380	G	95.9	Very high	93.4	Very high	3 Å²	3	64 Å²	64	3%	0.031	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	-3.4	-172.2	0	0	0	0	0	115.8	R378	R378-G380 PolarHBondContact O-N 2.85Å
381	S	96.1	Very high	93.3	Very high	20 Å²	20	64 Å²	64	14%	0.14	33%	0.33	C	S	.	.			trans	-78.5	143.6	170.1	-72.5	0	0	0	0	112	R378 Y397	R378-S381 WeakPolarHBondContact O-CB 3.26Å; R378-S381 PolarHBondContact O-N 2.94Å; R378-S381 PolarHBondContact O-OG 2.84Å; S381-Y397 PolarHBondContact O-OH 2.84Å
382	C	96.9	Very high	93.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.323	C	S	.	.			trans	-81.6	153	178.1	-46.1	0	0	0	0	111.4	D240 D241 C270 S384 N387 Y397	D240-C382 VanDerWaalsContact O-CB 3.24Å; D240-C382 WeakPolarHBondContact O-CB 3.26Å; D241-C382 HydrophobicContact CB-CB 4.5Å; D241-C382 WeakPolarHBondContact OD1-CB 3.05Å; D241-C382 PolarHBondContact OD1-SG 3.18Å; C270-C382 HydrophobicContact CB-CB 3.68Å; C270-C382 WeakPolarHBondContact CB-SG 3.41Å; C270-C382 WeakPolarHBondContact SG-CA 3.22Å; C270-C382 WeakPolarHBondContact SG-CB 3.49Å; C270-C382 PolarHBondContact SG-N 2.7Å; C270-C382 CovalentContact SG-SG 2.03Å; C270-C382 PolarHBondContact SG-SG 2.75Å; C382-S384 VanDerWaalsContact C-N 3.33Å; C382-S384 PolarHBondContact O-N 2.79Å; C382-S384 PolarHBondContact O-OG 2.87Å; C382-N387 PolarHBondContact N-ND2 3.27Å; C382-N387 PolarHBondContact O-ND2 2.79Å; C382-Y397 PolarHBondContact O-OH 3.09Å
383	A	96.2	Very high	93.6	Very high	6 Å²	6	58.6 Å²	58.6	5%	0.05	32%	0.315	C	S	.	.	S	Bend	trans	-75.1	90	174.5	0	0	0	0	0	108.1	N272 T394 Y397	N272-A383 PolarHBondContact ND2-O 2.7Å; A383-T394 HydrophobicContact CB-CG2 4.3Å; A383-Y397 WeakPolarHBondContact CA-OH 3.48Å; A383-Y397 HydrophobicContact CB-CE1 4.19Å; A383-Y397 PolarHBondContact N-OH 2.95Å
384	S	95.6	Very high	93.7	Very high	8 Å²	8	49.7 Å²	49.7	6%	0.056	28%	0.277	C	S	.	.	S	Bend	trans	-146.9	167.9	-168	70.7	0	0	0	0	112	D238 D241 C382 V386 N387 G389	D238-S384 WeakPolarHBondContact OD2-CB 3.32Å; D241-S384 PolarHBondContact OD1-OG 2.88Å; C382-S384 VanDerWaalsContact C-N 3.33Å; C382-S384 PolarHBondContact O-N 2.79Å; C382-S384 PolarHBondContact O-OG 2.87Å; S384-V386 WeakPolarHBondContact OG-CG2 3.31Å; S384-N387 PolarHBondContact O-N 3.03Å; S384-N387 PolarHBondContact OG-ND2 2.84Å; S384-G389 WeakPolarHBondContact O-CA 3.42Å; S384-G389 PolarHBondContact O-N 3.04Å
385	K	92.8	Very high	93.6	Very high	165 Å²	165	51.2 Å²	51.2	72%	0.717	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-36.5	-178.3	-63.5	174.4	-176.1	169.7	0	111.3	D238 N387 G388 G389	D238-K385 WeakPolarHBondContact OD2-CB 3.27Å; D238-K385 PolarHBondContact OD2-N 3.18Å; K385-N387 PolarHBondContact O-N 2.8Å; K385-G388 PolarHBondContact O-N 2.03Å; K385-G389 PolarHBondContact O-N 3.08Å
386	V	90.9	Very high	93.6	Very high	79 Å²	79	54.7 Å²	54.7	48%	0.479	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.5	179	-65.4	0	0	0	0	113	D238 D241 S384 G388	D238-V386 HydrophobicContact CB-CG1 3.89Å; D238-V386 HydrophobicContact CB-CG2 4.35Å; D241-V386 HydrophobicContact CB-CG2 3.72Å; S384-V386 WeakPolarHBondContact OG-CG2 3.31Å; V386-G388 PolarHBondContact O-N 3.23Å
387	N	88.1	Confident	93.7	Very high	47 Å²	47	50.8 Å²	50.8	25%	0.251	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	23.2	176.4	-64.9	-42.7	0	0	0	112.9	D241 Y376 C382 S384 K385	D241-N387 PolarHBondContact OD1-ND2 2.64Å; Y376-N387 PolarHBondContact OH-O 3.29Å; C382-N387 PolarHBondContact N-ND2 3.27Å; C382-N387 PolarHBondContact O-ND2 2.79Å; S384-N387 PolarHBondContact O-N 3.03Å; S384-N387 PolarHBondContact OG-ND2 2.84Å; K385-N387 PolarHBondContact O-N 2.8Å
388	G	83.9	Confident	93.7	Very high	48 Å²	48	52.5 Å²	52.5	50%	0.495	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	-3.8	177.1	0	0	0	0	0	114.6	K385 V386 R390	K385-G388 PolarHBondContact O-N 2.03Å; V386-G388 PolarHBondContact O-N 3.23Å; G388-R390 PolarHBondContact O-N 3.15Å
389	G	86	Confident	93.6	Very high	48 Å²	48	50.8 Å²	50.8	50%	0.495	29%	0.29	S	S	.	.	S	Bend	trans	60.1	15.1	172.7	0	0	0	0	0	115.7	S384 K385	S384-G389 WeakPolarHBondContact O-CA 3.42Å; S384-G389 PolarHBondContact O-N 3.04Å; K385-G389 PolarHBondContact O-N 3.08Å
390	R	91.3	Very high	93.5	Very high	188 Å²	188	54.8 Å²	54.8	71%	0.709	31%	0.31	S	S	*	.			trans	-77.7	-24.2	-175.2	-68.5	-176	-178.8	-179.1	1	113.8	G388	G388-R390 PolarHBondContact O-N 3.15Å
391	Y	92.8	Very high	93.5	Very high	59 Å²	59	54.8 Å²	54.8	23%	0.231	31%	0.31	C	S	.	.			trans	-120.7	130.8	-175.5	-57.2	-75.4	0	0	0	108.9	Y376 P377 D396 Y397	Y376-Y391 HydrophobicContact CD1-CE2 4.3Å; Y376-Y391 AromaticContact CE1-CE2 3.86Å; Y376-Y391 HydrophobicContact CE1-CE2 3.86Å; P377-Y391 HydrophobicContact CB-CD2 4.35Å; P377-Y391 HydrophobicContact CB-CE2 4.14Å; P377-Y391 HydrophobicContact CG-CD2 3.96Å; P377-Y391 HydrophobicContact CG-CE2 3.76Å; Y391-D396 HydrophobicContact CD1-CB 3.82Å; Y391-D396 VanDerWaalsContact CD1-O 3.27Å; Y391-D396 WeakPolarHBondContact CD1-O 3.4Å; Y391-D396 VanDerWaalsContact CE1-O 3.31Å; Y391-D396 WeakPolarHBondContact CE1-O 3.22Å; Y391-Y397 HydrophobicContact CD1-CD1 4.23Å; Y391-Y397 HydrophobicContact CD2-CD1 4.02Å; Y391-Y397 AromaticContact CD2-CE1 3.96Å; Y391-Y397 HydrophobicContact CD2-CE1 3.96Å; Y391-Y397 AromaticContact CG-CD1 3.79Å; Y391-Y397 HydrophobicContact CG-CD1 3.79Å; Y391-Y397 AromaticContact CG-CE1 3.94Å; Y391-Y397 HydrophobicContact CG-CE1 3.94Å
392	G	92	Very high	93.6	Very high	68 Å²	68	54 Å²	54	70%	0.701	30%	0.304	S	S	*	.	S	Bend	trans	-81.4	-25.3	178.6	0	0	0	0	0	112.6	D396	G392-D396 PolarHBondContact N-OD2 2.77Å
393	T	94.9	Very high	93.5	Very high	41 Å²	41	61 Å²	61	25%	0.252	33%	0.331	S	S	.	.	S	Bend	trans	-151.7	160.7	180	179.3	0	0	0	0	111.5	V274 K395 D396	V274-T393 WeakPolarHBondContact CG2-OG1 3.42Å; T393-K395 HydrophobicContact CG2-CB 3.92Å; T393-K395 PolarHBondContact O-N 3.19Å; T393-D396 VanDerWaalsContact CG2-OD2 3.3Å; T393-D396 WeakPolarHBondContact CG2-OD2 3.26Å; T393-D396 PolarHBondContact N-OD2 2.82Å; T393-D396 WeakPolarHBondContact O-CB 3.33Å; T393-D396 PolarHBondContact O-N 2.85Å
394	T	95.9	Very high	93.6	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.006	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-64.8	-16.3	177.3	55.5	0	0	0	0	113.4	D273 V274 G275 S285 T286 A383 D396 Y397	D273-T394 HydrophobicContact CB-CG2 4.33Å; D273-T394 PolarHBondContact OD1-OG1 3.43Å; V274-T394 WeakPolarHBondContact CG2-OG1 3.28Å; V274-T394 PolarHBondContact N-OG1 2.84Å; G275-T394 PolarHBondContact N-OG1 2.93Å; G275-T394 CarbonylContact O-C 3.56Å; G275-T394 PolarHBondContact O-OG1 2.92Å; S285-T394 WeakPolarHBondContact OG-CB 3.34Å; T286-T394 HydrophobicContact CG2-CG2 4.08Å; A383-T394 HydrophobicContact CB-CG2 4.3Å; T394-D396 PolarHBondContact O-N 2.88Å; T394-Y397 HydrophobicContact CG2-CD2 4.29Å; T394-Y397 HydrophobicContact CG2-CE2 3.73Å; T394-Y397 WeakPolarHBondContact O-CB 3.46Å; T394-Y397 PolarHBondContact O-N 3.04Å
395	K	95.6	Very high	93.6	Very high	87 Å²	87	61.5 Å²	61.5	38%	0.378	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-65.6	-27	169.2	-72.5	178.3	178.3	-176.1	0	113.4	V274 G275 Q277 T393 Y397	V274-K395 HydrophobicContact CG2-CD 4.3Å; V274-K395 HydrophobicContact CG2-CG 3.97Å; G275-K395 WeakPolarHBondContact O-CG 3.32Å; G275-K395 PolarHBondContact O-N 2.79Å; Q277-K395 HydrophobicContact CB-CB 4.25Å; Q277-K395 VanDerWaalsContact CB-O 3.27Å; Q277-K395 WeakPolarHBondContact CB-O 3.14Å; T393-K395 HydrophobicContact CG2-CB 3.92Å; T393-K395 PolarHBondContact O-N 3.19Å; K395-Y397 PolarHBondContact O-N 2.66Å
396	D	95.8	Very high	93.7	Very high	87 Å²	87	58.4 Å²	58.4	47%	0.465	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-82.1	-5.3	-179.1	-54.2	-32.7	0	0	0	112.1	Y391 G392 T393 T394	Y391-D396 HydrophobicContact CD1-CB 3.82Å; Y391-D396 VanDerWaalsContact CD1-O 3.27Å; Y391-D396 WeakPolarHBondContact CD1-O 3.4Å; Y391-D396 VanDerWaalsContact CE1-O 3.31Å; Y391-D396 WeakPolarHBondContact CE1-O 3.22Å; G392-D396 PolarHBondContact N-OD2 2.77Å; T393-D396 VanDerWaalsContact CG2-OD2 3.3Å; T393-D396 WeakPolarHBondContact CG2-OD2 3.26Å; T393-D396 PolarHBondContact N-OD2 2.82Å; T393-D396 WeakPolarHBondContact O-CB 3.33Å; T393-D396 PolarHBondContact O-N 2.85Å; T394-D396 PolarHBondContact O-N 2.88Å
397	Y	96.7	Very high	93.8	Very high	20 Å²	20	56.7 Å²	56.7	8%	0.078	31%	0.307	C	S	.	.	S	Bend	trans	-66	141.2	179.1	-70.8	-1	0	0	0	111.2	P377 S381 C382 A383 Y391 T394 K395 I402	P377-Y397 HydrophobicContact CB-CE1 4.5Å; P377-Y397 HydrophobicContact CG-CD1 3.61Å; P377-Y397 HydrophobicContact CG-CD2 4.09Å; P377-Y397 HydrophobicContact CG-CE1 3.58Å; P377-Y397 HydrophobicContact CG-CE2 4.05Å; P377-Y397 HydrophobicContact CG-CG 3.86Å; S381-Y397 PolarHBondContact O-OH 2.84Å; C382-Y397 PolarHBondContact O-OH 3.09Å; A383-Y397 WeakPolarHBondContact CA-OH 3.48Å; A383-Y397 HydrophobicContact CB-CE1 4.19Å; A383-Y397 PolarHBondContact N-OH 2.95Å; Y391-Y397 HydrophobicContact CD1-CD1 4.23Å; Y391-Y397 HydrophobicContact CD2-CD1 4.02Å; Y391-Y397 AromaticContact CD2-CE1 3.96Å; Y391-Y397 HydrophobicContact CD2-CE1 3.96Å; Y391-Y397 AromaticContact CG-CD1 3.79Å; Y391-Y397 HydrophobicContact CG-CD1 3.79Å; Y391-Y397 AromaticContact CG-CE1 3.94Å; Y391-Y397 HydrophobicContact CG-CE1 3.94Å; T394-Y397 HydrophobicContact CG2-CD2 4.29Å; T394-Y397 HydrophobicContact CG2-CE2 3.73Å; T394-Y397 WeakPolarHBondContact O-CB 3.46Å; T394-Y397 PolarHBondContact O-N 3.04Å; K395-Y397 PolarHBondContact O-N 2.66Å; Y397-I402 HydrophobicContact CD2-CD1 4.01Å; Y397-I402 HydrophobicContact CG-CD1 4.44Å
398	P	96.2	Very high	94.2	Very high	40 Å²	40	54.9 Å²	54.9	26%	0.26	30%	0.297	S	S	.	.			trans	-69	151.1	-178.7	31.5	-35.9	0	0	0	111.7	Y376 D400 A401 I402	Y376-P398 WeakPolarHBondContact O-CG 3.44Å; P398-D400 WeakPolarHBondContact CB-OD1 3.31Å; P398-D400 VanDerWaalsContact CG-OD1 3.29Å; P398-D400 WeakPolarHBondContact CG-OD1 3.33Å; P398-D400 PolarHBondContact O-N 2.92Å; P398-D400 VanDerWaalsContact O-N 3.16Å; P398-A401 HydrophobicContact CG-CB 3.92Å; P398-A401 PolarHBondContact O-N 2.74Å; P398-A401 VanDerWaalsContact O-N 3.12Å; P398-I402 PolarHBondContact O-N 2.94Å
399	D	94.9	Very high	94.8	Very high	46 Å²	46	52.7 Å²	52.7	25%	0.246	28%	0.275	C	S	.	.	H	α-helix	trans	-59.4	-29.7	-174	-76.2	-25.7	0	0	0	112.7	R278 I279 R403	R278-D399 IonicContact NH1-OD2 3.58Å; R278-D399 PolarHBondContact NH1-OD2 3.45Å; I279-D399 HydrophobicContact CD1-CB 4.37Å; D399-R403 WeakPolarHBondContact O-CB 3.4Å; D399-R403 WeakPolarHBondContact O-CG 3.43Å; D399-R403 PolarHBondContact O-N 3.11Å
400	D	95.4	Very high	95.3	Very high	89 Å²	89	50.8 Å²	50.8	48%	0.476	25%	0.253	S	S	.	.	H	α-helix	trans	-69.3	-42.3	176.8	65.4	-28.3	0	0	0	112.4	P398 R403 F404	P398-D400 WeakPolarHBondContact CB-OD1 3.31Å; P398-D400 VanDerWaalsContact CG-OD1 3.29Å; P398-D400 WeakPolarHBondContact CG-OD1 3.33Å; P398-D400 PolarHBondContact O-N 2.92Å; P398-D400 VanDerWaalsContact O-N 3.16Å; D400-R403 PolarHBondContact O-N 3.46Å; D400-F404 WeakPolarHBondContact O-CB 3.24Å; D400-F404 PolarHBondContact O-N 3.41Å
401	A	96.3	Very high	95.7	Very high	3 Å²	3	42.1 Å²	42.1	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-43.4	174.2	0	0	0	0	0	111.9	P375 P398 F404 A405	P375-A401 HydrophobicContact CB-CB 4.2Å; P375-A401 HydrophobicContact CG-CB 4.26Å; P398-A401 HydrophobicContact CG-CB 3.92Å; P398-A401 PolarHBondContact O-N 2.74Å; P398-A401 VanDerWaalsContact O-N 3.12Å; A401-F404 PolarHBondContact O-N 2.88Å; A401-A405 PolarHBondContact O-N 3.28Å
402	I	97	Very high	95.9	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-68.1	-41.3	178.4	-61.4	-64.4	0	0	0	111.7	I279 L280 Y397 P398 F404 A405 R406	I279-I402 HydrophobicContact CB-CG2 3.81Å; I279-I402 HydrophobicContact CG2-CG2 4.03Å; L280-I402 HydrophobicContact CB-CG2 4.21Å; L280-I402 HydrophobicContact CD1-CG2 3.78Å; L280-I402 HydrophobicContact CG-CG2 3.89Å; Y397-I402 HydrophobicContact CD2-CD1 4.01Å; Y397-I402 HydrophobicContact CG-CD1 4.44Å; P398-I402 PolarHBondContact O-N 2.94Å; I402-F404 VanDerWaalsContact C-N 3.32Å; I402-F404 PolarHBondContact O-N 3.42Å; I402-A405 PolarHBondContact O-N 2.99Å; I402-R406 WeakPolarHBondContact O-CB 3.35Å; I402-R406 PolarHBondContact O-N 3.35Å
403	R	95.9	Very high	96.1	Very high	148 Å²	148	46.1 Å²	46.1	56%	0.558	22%	0.219	S	C	*	.	H	α-helix	trans	-63	-39.2	174.4	-76.6	173	-168.4	153	6.7	112.1	I279 D399 D400 S407	I279-R403 HydrophobicContact CD1-CG 3.54Å; D399-R403 WeakPolarHBondContact O-CB 3.4Å; D399-R403 WeakPolarHBondContact O-CG 3.43Å; D399-R403 PolarHBondContact O-N 3.11Å; D400-R403 PolarHBondContact O-N 3.46Å; R403-S407 PolarHBondContact O-N 2.92Å; R403-S407 PolarHBondContact O-OG 2.81Å
404	F	96.6	Very high	96.2	Very high	15 Å²	15	46.2 Å²	46.2	7%	0.066	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-50.1	175.8	-169.9	-77.9	0	0	0	110.9	Y357 Y370 P375 P379 D400 A401 I402 R406 S407 H408	Y357-F404 AromaticContact CD1-CE1 3.93Å; Y357-F404 HydrophobicContact CD1-CE1 3.93Å; Y357-F404 AromaticContact CD2-CE1 3.67Å; Y357-F404 HydrophobicContact CD2-CE1 3.67Å; Y357-F404 AromaticContact CD2-CZ 3.85Å; Y357-F404 HydrophobicContact CD2-CZ 3.85Å; Y357-F404 HydrophobicContact CE1-CE1 4.13Å; Y357-F404 AromaticContact CE2-CE1 3.9Å; Y357-F404 HydrophobicContact CE2-CE1 3.9Å; Y357-F404 HydrophobicContact CE2-CZ 4.37Å; Y357-F404 AromaticContact CG-CE1 3.7Å; Y357-F404 HydrophobicContact CG-CE1 3.7Å; Y357-F404 HydrophobicContact CG-CZ 4.04Å; Y370-F404 AromaticContact CD1-CE2 3.95Å; Y370-F404 HydrophobicContact CD1-CE2 3.95Å; Y370-F404 AromaticContact CD1-CZ 3.8Å; Y370-F404 HydrophobicContact CD1-CZ 3.8Å; Y370-F404 HydrophobicContact CD2-CE2 4.46Å; Y370-F404 AromaticContact CE1-CE2 3.45Å; Y370-F404 HydrophobicContact CE1-CE2 3.45Å; Y370-F404 VanDerWaalsContact CE1-CE2 3.45Å; Y370-F404 AromaticContact CE1-CZ 3.77Å; Y370-F404 HydrophobicContact CE1-CZ 3.77Å; Y370-F404 HydrophobicContact CE2-CE2 4.06Å; Y370-F404 HydrophobicContact CG-CE2 4.41Å; Y370-F404 HydrophobicContact CG-CZ 4.27Å; Y370-F404 AromaticContact CZ-CE2 3.53Å; P375-F404 HydrophobicContact CG-CB 3.64Å; P375-F404 HydrophobicContact CG-CD2 4.23Å; P375-F404 HydrophobicContact CG-CG 3.9Å; P379-F404 HydrophobicContact CB-CD1 3.8Å; P379-F404 HydrophobicContact CB-CE1 4.45Å; P379-F404 HydrophobicContact CG-CB 4.02Å; P379-F404 HydrophobicContact CG-CD1 3.44Å; P379-F404 VanDerWaalsContact CG-CD1 3.44Å; P379-F404 HydrophobicContact CG-CE1 4.23Å; P379-F404 HydrophobicContact CG-CG 3.98Å; D400-F404 WeakPolarHBondContact O-CB 3.24Å; D400-F404 PolarHBondContact O-N 3.41Å; A401-F404 PolarHBondContact O-N 2.88Å; I402-F404 VanDerWaalsContact C-N 3.32Å; I402-F404 PolarHBondContact O-N 3.42Å; F404-R406 VanDerWaalsContact C-N 3.26Å; F404-R406 PolarHBondContact O-N 2.93Å; F404-S407 PolarHBondContact O-N 2.63Å; F404-S407 PolarHBondContact O-OG 2.89Å; F404-S407 VanDerWaalsContact O-OG 3.08Å; F404-H408 HydrophobicContact CD1-CB 3.92Å; F404-H408 AromaticContact CD1-ND1 3.99Å; F404-H408 AromaticContact CD2-ND1 3.85Å; F404-H408 HydrophobicContact CE1-CB 3.56Å; F404-H408 AromaticContact CE1-CG 3.7Å; F404-H408 AromaticContact CE2-CE1 3.82Å; F404-H408 AromaticContact CE2-ND1 3.82Å; F404-H408 AromaticContact CG-ND1 3.95Å; F404-H408 HydrophobicContact CZ-CB 4.03Å; F404-H408 AromaticContact CZ-CD2 3.84Å; F404-H408 AromaticContact CZ-CG 3.68Å; F404-H408 AromaticContact CZ-ND1 3.93Å; F404-H408 WeakPolarHBondContact O-CB 3.45Å; F404-H408 PolarHBondContact O-N 3.06Å; F404-H408 PolarHBondContact O-ND1 2.88Å
405	A	96.2	Very high	96.3	Very high	8 Å²	8	46.2 Å²	46.2	7%	0.066	22%	0.224	C	C	.	.	H	α-helix	trans	-54.4	-43.4	178.1	0	0	0	0	0	112.1	S285 P379 A401 I402 S407	S285-A405 WeakPolarHBondContact O-CB 3.47Å; P379-A405 HydrophobicContact CB-CB 4.01Å; A401-A405 PolarHBondContact O-N 3.28Å; I402-A405 PolarHBondContact O-N 2.99Å; A405-S407 VanDerWaalsContact C-N 3.34Å; A405-S407 PolarHBondContact O-N 2.87Å
406	R	95.1	Very high	96.4	Very high	101 Å²	101	48 Å²	48	38%	0.381	23%	0.231	S	C	.	.	H	α-helix	trans	-60.9	-38.7	176.8	-173.9	176.6	-170.9	-148.6	1.4	113.5	E215 L280 I402 F404	E215-R406 IonicContact OE1-CZ 2.69Å; E215-R406 VanDerWaalsContact OE1-CZ 3.29Å; E215-R406 IonicContact OE1-NE 2.78Å; E215-R406 PolarHBondContact OE1-NE 3.21Å; E215-R406 VanDerWaalsContact OE1-NE 3.14Å; E215-R406 IonicContact OE1-NH2 2.73Å; E215-R406 PolarHBondContact OE1-NH2 3.35Å; E215-R406 WeakPolarHBondContact OE2-CD 3.16Å; E215-R406 VanDerWaalsContact OE2-CG 3.29Å; E215-R406 WeakPolarHBondContact OE2-CG 3.35Å; E215-R406 IonicContact OE2-CZ 3.85Å; E215-R406 IonicContact OE2-NE 3.11Å; E215-R406 PolarHBondContact OE2-NE 3.35Å; E215-R406 IonicContact OE2-NH2 2.64Å; L280-R406 HydrophobicContact CD1-CB 4.25Å; L280-R406 HydrophobicContact CD2-CB 4.43Å; L280-R406 HydrophobicContact CD2-CG 4.13Å; I402-R406 WeakPolarHBondContact O-CB 3.35Å; I402-R406 PolarHBondContact O-N 3.35Å; F404-R406 VanDerWaalsContact C-N 3.26Å; F404-R406 PolarHBondContact O-N 2.93Å
407	S	93.8	Very high	96.4	Very high	42 Å²	42	44.2 Å²	44.2	29%	0.294	21%	0.212	S	C	.	.	H	α-helix	trans	-90.8	-19.1	-174.4	45.4	0	0	0	0	113.7	R403 F404 A405 P409	R403-S407 PolarHBondContact O-N 2.92Å; R403-S407 PolarHBondContact O-OG 2.81Å; F404-S407 PolarHBondContact O-N 2.63Å; F404-S407 PolarHBondContact O-OG 2.89Å; F404-S407 VanDerWaalsContact O-OG 3.08Å; A405-S407 VanDerWaalsContact C-N 3.34Å; A405-S407 PolarHBondContact O-N 2.87Å; S407-P409 WeakPolarHBondContact O-CD 3.3Å
408	H	95.6	Very high	96.3	Very high	9 Å²	9	44.1 Å²	44.1	4%	0.042	22%	0.215	C	C	.	.			trans	-127.3	58.9	-173.5	-59.6	78	0	0	0	112.9	Y357 H359 Y370 F404 L410	Y357-H408 HydrophobicContact CD1-CB 4.26Å; Y357-H408 HydrophobicContact CG-CB 4.46Å; H359-H408 AromaticContact CE1-CE1 3.88Å; H359-H408 AromaticContact CE1-NE2 3.31Å; H359-H408 PolarHBondContact CE1-NE2 2.95Å; H359-H408 VanDerWaalsContact CE1-NE2 3.31Å; H359-H408 AromaticContact CG-CD2 3.95Å; H359-H408 AromaticContact CG-NE2 3.51Å; H359-H408 AromaticContact ND1-CD2 3.45Å; H359-H408 PolarHBondContact ND1-CD2 3.42Å; H359-H408 AromaticContact ND1-CE1 3.7Å; H359-H408 AromaticContact ND1-NE2 2.83Å; H359-H408 PolarHBondContact ND1-NE2 3.46Å; Y370-H408 AromaticContact CD2-NE2 3.8Å; F404-H408 HydrophobicContact CD1-CB 3.92Å; F404-H408 AromaticContact CD1-ND1 3.99Å; F404-H408 AromaticContact CD2-ND1 3.85Å; F404-H408 HydrophobicContact CE1-CB 3.56Å; F404-H408 AromaticContact CE1-CG 3.7Å; F404-H408 AromaticContact CE2-CE1 3.82Å; F404-H408 AromaticContact CE2-ND1 3.82Å; F404-H408 AromaticContact CG-ND1 3.95Å; F404-H408 HydrophobicContact CZ-CB 4.03Å; F404-H408 AromaticContact CZ-CD2 3.84Å; F404-H408 AromaticContact CZ-CG 3.68Å; F404-H408 AromaticContact CZ-ND1 3.93Å; F404-H408 WeakPolarHBondContact O-CB 3.45Å; F404-H408 PolarHBondContact O-N 3.06Å; F404-H408 PolarHBondContact O-ND1 2.88Å; H408-L410 VanDerWaalsContact C-N 3.29Å; H408-L410 PolarHBondContact O-N 3.23Å
409	P	96.6	Very high	96	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.019	22%	0.224	C	C	.	.			trans	-74.3	-17.8	179.1	31	-36.1	0	0	0	113.5	R220 L221 F287 L288 K289 S407	R220-P409 HydrophobicContact CB-CG 3.91Å; R220-P409 WeakPolarHBondContact O-CG 3.13Å; L221-P409 HydrophobicContact CD2-CB 3.79Å; L221-P409 HydrophobicContact CD2-CG 4.14Å; F287-P409 HydrophobicContact CD1-CB 4.25Å; L288-P409 CarbonylContact C-O 3.56Å; L288-P409 VanDerWaalsContact CA-O 3.3Å; L288-P409 WeakPolarHBondContact CA-O 3.49Å; K289-P409 PolarHBondContact N-O 3.42Å; S407-P409 WeakPolarHBondContact O-CD 3.3Å
410	L	97.7	Very high	95.9	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.042	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-95.7	132.3	-174.6	-178.5	64.2	0	0	0	111.6	E254 K289 A358 W367 H408	E254-L410 HydrophobicContact CB-CD2 4.41Å; E254-L410 HydrophobicContact CG-CD2 4.43Å; K289-L410 HydrophobicContact CG-CD1 4.03Å; K289-L410 WeakPolarHBondContact O-CA 3.32Å; A358-L410 HydrophobicContact CB-CB 4.17Å; A358-L410 HydrophobicContact CB-CD2 3.93Å; A358-L410 HydrophobicContact CB-CG 3.84Å; A358-L410 PolarHBondContact N-O 3.16Å; W367-L410 HydrophobicContact CE3-CD2 4.16Å; W367-L410 HydrophobicContact CH2-CD2 4.16Å; W367-L410 HydrophobicContact CZ3-CB 4.45Å; W367-L410 HydrophobicContact CZ3-CD2 3.89Å; H408-L410 VanDerWaalsContact C-N 3.29Å; H408-L410 PolarHBondContact O-N 3.23Å
411	M	98.2	Very high	95.8	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.03	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-84.6	141.8	170	-52.7	-50.4	-59.3	0	0	110.7	L288 K289 A290 A352 F353 G355 Y357	L288-M411 HydrophobicContact CB-SD 4.29Å; L288-M411 HydrophobicContact CD1-SD 3.87Å; L288-M411 HydrophobicContact CD2-SD 4.1Å; L288-M411 HydrophobicContact CG-SD 4.33Å; K289-M411 WeakPolarHBondContact O-CG 3.47Å; K289-M411 PolarHBondContact O-N 3.41Å; A290-M411 HydrophobicContact CB-CB 3.93Å; A290-M411 HydrophobicContact CB-CG 4.1Å; A352-M411 WeakPolarHBondContact O-CE 3.43Å; F353-M411 HydrophobicContact CD1-CG 3.68Å; F353-M411 HydrophobicContact CD1-SD 4.33Å; F353-M411 HydrophobicContact CE1-CG 4.21Å; F353-M411 WeakPolarHBondContact O-CE 3.38Å; G355-M411 WeakPolarHBondContact O-CE 3.1Å; Y357-M411 HydrophobicContact CD1-CE 4.09Å; Y357-M411 HydrophobicContact CD1-SD 3.87Å; Y357-M411 HydrophobicContact CE1-CE 4.14Å; Y357-M411 HydrophobicContact CE1-SD 3.95Å; Y357-M411 HydrophobicContact CG-CE 4.46Å
412	Y	96.6	Very high	95.8	Very high	121 Å²	121	50 Å²	50	48%	0.475	23%	0.232	S	C	.	.	S	Bend	trans	-75.9	-38	-179.6	-177.5	-92.4	0	0	0	112.7	P356 A358 V369 A414	P356-Y412 HydrophobicContact CG-CD1 4.5Å; P356-Y412 WeakPolarHBondContact O-CB 3.27Å; P356-Y412 PolarHBondContact O-N 3.28Å; A358-Y412 HydrophobicContact CB-CD2 4.39Å; V369-Y412 HydrophobicContact CB-CD2 4.46Å; V369-Y412 HydrophobicContact CG2-CD1 3.47Å; V369-Y412 VanDerWaalsContact CG2-CD1 3.47Å; V369-Y412 HydrophobicContact CG2-CD2 3.78Å; V369-Y412 HydrophobicContact CG2-CE1 3.3Å; V369-Y412 HydrophobicContact CG2-CE2 3.63Å; V369-Y412 HydrophobicContact CG2-CG 3.7Å; Y412-A414 PolarHBondContact O-N 3.34Å
413	Q	96.9	Very high	95.8	Very high	90 Å²	90	50.4 Å²	50.4	42%	0.421	23%	0.234	S	C	.	.	S	Bend	trans	-76.8	125.1	-179.5	-73.2	179.9	-11.7	0	0	111.3	A352 P356	A352-Q413 HydrophobicContact CB-CB 4.49Å; P356-Q413 HydrophobicContact CG-CG 4.22Å
414	A	97.1	Very high	95.8	Very high	42 Å²	42	43.7 Å²	43.7	35%	0.347	21%	0.209	S	C	.	.			trans	-78.7	145.7	171.7	0	0	0	0	0	111.8	R291 V293 Y412	R291-A414 HydrophobicContact CB-CB 4.12Å; R291-A414 WeakPolarHBondContact O-CA 3.15Å; V293-A414 HydrophobicContact CG2-CB 3.76Å; Y412-A414 PolarHBondContact O-N 3.34Å
415	I	98.5	Very high	95.7	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-87.1	115.7	176.6	-58.3	157.2	0	0	0	108.1	V266 A290 R291 L292 V293 Y344 I349 A352	V266-I415 HydrophobicContact CB-CD1 4.24Å; V266-I415 HydrophobicContact CG2-CD1 4.12Å; A290-I415 HydrophobicContact CB-CD1 3.83Å; A290-I415 HydrophobicContact CB-CG1 4.34Å; R291-I415 PolarHBondContact O-N 3.09Å; L292-I415 HydrophobicContact CD1-CB 3.78Å; L292-I415 HydrophobicContact CD1-CD1 4.36Å; L292-I415 HydrophobicContact CD1-CG2 3.58Å; V293-I415 PolarHBondContact N-O 3.15Å; Y344-I415 HydrophobicContact CD1-CG2 3.9Å; Y344-I415 HydrophobicContact CE1-CG2 4.46Å; I349-I415 HydrophobicContact CB-CD1 4.45Å; I349-I415 HydrophobicContact CG1-CD1 4.17Å; I349-I415 HydrophobicContact CG1-CG2 3.96Å; I349-I415 HydrophobicContact CG2-CD1 4.33Å; A352-I415 HydrophobicContact CB-CD1 4.27Å; A352-I415 HydrophobicContact CB-CG1 3.54Å
416	K	97.1	Very high	95.6	Very high	123 Å²	123	45.7 Å²	45.7	54%	0.535	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-95.9	152.4	178	-64.5	-171.4	179.8	-168.9	0	111.2
417	P	97	Very high	95.4	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.058	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-75.8	165.4	-178.9	32.7	-30.8	0	0	0	110.8	V293 C342 V343 Y344 H419 K420	V293-P417 VanDerWaalsContact O-CD 3.28Å; V293-P417 WeakPolarHBondContact O-CD 3.3Å; C342-P417 HydrophobicContact CB-CB 3.82Å; C342-P417 HydrophobicContact CB-CG 4.42Å; V343-P417 CarbonylContact O-C 3.52Å; V343-P417 VanDerWaalsContact O-CA 3.23Å; V343-P417 WeakPolarHBondContact O-CA 3.4Å; V343-P417 WeakPolarHBondContact O-CB 3.42Å; Y344-P417 HydrophobicContact CD1-CB 4.12Å; Y344-P417 HydrophobicContact CE1-CB 3.71Å; Y344-P417 HydrophobicContact CE1-CG 4.47Å; P417-H419 PolarHBondContact O-N 3.39Å; P417-K420 WeakPolarHBondContact O-CA 3.27Å; P417-K420 PolarHBondContact O-N 3.41Å
418	A	94.1	Very high	95	Very high	17 Å²	17	46.9 Å²	46.9	14%	0.14	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-51.2	138.9	167.7	0	0	0	0	0	109.4	V343 K420	V343-A418 HydrophobicContact CB-CB 4.3Å; V343-A418 HydrophobicContact CG1-CB 4.47Å; V343-A418 PolarHBondContact O-N 3.37Å; A418-K420 PolarHBondContact O-N 2.83Å
419	H	90.3	Very high	94.4	Very high	98 Å²	98	49 Å²	49	45%	0.454	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	58	8.6	-174.3	-48	-75.8	0	0	0	115.9	P417 K421 Y467	P417-H419 PolarHBondContact O-N 3.39Å; H419-K421 HydrophobicContact CB-CG 4.1Å; H419-K421 WeakPolarHBondContact O-CG 3.09Å; H419-K421 PolarHBondContact O-N 2.92Å; H419-Y467 AromaticContact CE1-CD1 3.88Å; H419-Y467 AromaticContact CE1-CE1 3.69Å; H419-Y467 AromaticContact ND1-CE1 3.77Å; H419-Y467 AromaticContact ND1-CZ 3.66Å
420	K	92.4	Very high	94	Very high	152 Å²	152	52.9 Å²	52.9	66%	0.661	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	57.9	21.7	-178.6	-54.1	175.2	-176.9	170.3	0	114.5	P417 A418	P417-K420 WeakPolarHBondContact O-CA 3.27Å; P417-K420 PolarHBondContact O-N 3.41Å; A418-K420 PolarHBondContact O-N 2.83Å
421	K	93.1	Very high	93.6	Very high	40 Å²	40	52.7 Å²	52.7	17%	0.174	27%	0.273	C	S	.	.	S	Bend	trans	-149.6	157.5	-179.8	59.4	-165.5	162.4	-159.5	0	110.6	H419 E472	H419-K421 HydrophobicContact CB-CG 4.1Å; H419-K421 WeakPolarHBondContact O-CG 3.09Å; H419-K421 PolarHBondContact O-N 2.92Å; K421-E472 PolarHBondContact NZ-O 3.02Å
422	P	96.4	Very high	93.4	Very high	11 Å²	11	54.2 Å²	54.2	7%	0.071	28%	0.282	C	S	.	.			trans	-64.1	153.1	172.5	26.1	-35.1	0	0	0	112	S295 V296 A340 I341 V425	S295-P422 WeakPolarHBondContact O-CD 3.49Å; V296-P422 HydrophobicContact CG2-CG 3.6Å; A340-P422 HydrophobicContact CB-CB 4.04Å; A340-P422 HydrophobicContact CB-CG 4.48Å; I341-P422 CarbonylContact O-C 3.58Å; I341-P422 VanDerWaalsContact O-CA 3.29Å; I341-P422 WeakPolarHBondContact O-CA 3.47Å; I341-P422 VanDerWaalsContact O-CB 3.3Å; I341-P422 WeakPolarHBondContact O-CB 3.23Å; P422-V425 HydrophobicContact CB-CG2 3.88Å; P422-V425 HydrophobicContact CG-CG2 3.31Å
423	I	96.5	Very high	93.5	Very high	14 Å²	14	48.5 Å²	48.5	7%	0.072	26%	0.259	C	S	.	.	S	Bend	trans	-84.5	-23	172.2	60.8	162.3	0	0	0	112.1	F326 I341 V343 L451 T465 M474	F326-I423 HydrophobicContact CD1-CD1 4.12Å; F326-I423 HydrophobicContact CE1-CD1 3.83Å; I341-I423 HydrophobicContact CB-CG1 4.09Å; I341-I423 HydrophobicContact CG2-CD1 3.95Å; I341-I423 HydrophobicContact CG2-CG1 3.9Å; I341-I423 WeakPolarHBondContact O-CG1 3.39Å; I341-I423 PolarHBondContact O-N 3.31Å; V343-I423 HydrophobicContact CG2-CD1 3.58Å; V343-I423 HydrophobicContact CG2-CG1 4.01Å; V343-I423 HydrophobicContact CG2-CG2 3.8Å; I423-L451 HydrophobicContact CD1-CD2 3.89Å; I423-T465 HydrophobicContact CB-CG2 4.36Å; I423-T465 HydrophobicContact CD1-CG2 4.49Å; I423-T465 VanDerWaalsContact O-CG2 3.3Å; I423-T465 WeakPolarHBondContact O-CG2 3.38Å; I423-M474 HydrophobicContact CG2-CE 3.91Å; I423-M474 HydrophobicContact CG2-SD 4.35Å
424	L	96.1	Very high	93.5	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	138.9	178	-177.6	68.7	0	0	0	109.9	A340 I341 I453 E476	A340-L424 CarbonylContact C-O 3.53Å; A340-L424 VanDerWaalsContact CA-O 3.24Å; A340-L424 WeakPolarHBondContact CA-O 3.42Å; I341-L424 HydrophobicContact CB-CB 4.14Å; I341-L424 HydrophobicContact CD1-CB 4.28Å; I341-L424 HydrophobicContact CD1-CD2 3.65Å; I341-L424 HydrophobicContact CG1-CB 4.35Å; I341-L424 HydrophobicContact CG1-CD2 4.34Å; I341-L424 PolarHBondContact N-O 2.83Å; L424-I453 HydrophobicContact CD2-CD1 3.55Å; L424-E476 HydrophobicContact CD1-CB 4.19Å; L424-E476 HydrophobicContact CD1-CG 3.63Å; L424-E476 WeakPolarHBondContact CD1-OE1 3.43Å
425	V	95	Very high	93.5	Very high	53 Å²	53	46.6 Å²	46.6	32%	0.321	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	127.8	174.4	-179.7	0	0	0	0	109.5	V296 F306 H339 A340 P422 T427	V296-V425 HydrophobicContact CG2-CG2 3.8Å; F306-V425 HydrophobicContact CZ-CG1 4.02Å; H339-V425 CarbonylContact O-C 3.56Å; H339-V425 WeakPolarHBondContact O-CA 3.42Å; A340-V425 HydrophobicContact CB-CG2 4.41Å; P422-V425 HydrophobicContact CB-CG2 3.88Å; P422-V425 HydrophobicContact CG-CG2 3.31Å; V425-T427 HydrophobicContact CG1-CG2 3.77Å
426	K	93.2	Very high	93.6	Very high	12 Å²	12	46.6 Å²	46.6	5%	0.052	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	108.2	177.2	-70	-58.2	-169.1	-167.1	0	110.6	G338 H339 L433 E476	G338-K426 CarbonylContact C-O 3.55Å; G338-K426 VanDerWaalsContact CA-O 3.31Å; G338-K426 WeakPolarHBondContact CA-O 3.15Å; H339-K426 PolarHBondContact N-O 3.45Å; H339-K426 PolarHBondContact O-N 2.67Å; K426-L433 HydrophobicContact CB-CD1 4.41Å; K426-L433 HydrophobicContact CG-CD1 4.21Å; K426-E476 WeakPolarHBondContact CE-OE1 3.3Å; K426-E476 IonicContact NZ-OE1 2.76Å; K426-E476 PolarHBondContact NZ-OE1 2.8Å; K426-E476 IonicContact NZ-OE2 2.89Å; K426-E476 PolarHBondContact NZ-OE2 3.44Å
427	T	91.1	Very high	93.6	Very high	71 Å²	71	40.7 Å²	40.7	44%	0.436	22%	0.217	S	C	.	.			trans	-127.4	3.7	-176.3	55.8	0	0	0	0	113.2	F336 V425 G429	F336-T427 HydrophobicContact CE1-CG2 4.3Å; F336-T427 HydrophobicContact CE2-CG2 4.38Å; F336-T427 HydrophobicContact CZ-CG2 3.6Å; V425-T427 HydrophobicContact CG1-CG2 3.77Å; T427-G429 PolarHBondContact O-N 3.41Å
428	D	84.8	Confident	93.7	Very high	96 Å²	96	40.4 Å²	40.4	51%	0.513	21%	0.214	S	C	.	.	S	Bend	trans	-77.9	-4.6	-178.6	64.2	-3.7	0	0	0	113.4	K430	D428-K430 PolarHBondContact O-N 3.14Å; D428-K430 WeakPolarHBondContact OD1-CB 3.27Å; D428-K430 PolarHBondContact OD1-N 2.89Å; D428-K430 WeakPolarHBondContact OD2-CB 3.25Å
429	G	83.9	Confident	93.9	Very high	53 Å²	53	40.2 Å²	40.2	55%	0.546	21%	0.211	S	C	.	.	S	Bend	trans	70.9	5	-177	0	0	0	0	0	114.3	T427	T427-G429 PolarHBondContact O-N 3.41Å
430	K	87.3	Confident	94.1	Very high	85 Å²	85	39.6 Å²	39.6	37%	0.37	21%	0.205	S	C	.	.	S	Bend	trans	-74	-35.5	-177.4	-172.8	179.7	177.5	-159.8	0	112.4	D428	D428-K430 PolarHBondContact O-N 3.14Å; D428-K430 WeakPolarHBondContact OD1-CB 3.27Å; D428-K430 PolarHBondContact OD1-N 2.89Å; D428-K430 WeakPolarHBondContact OD2-CB 3.25Å
431	Y	90.8	Very high	94.2	Very high	5 Å²	5	33 Å²	33	2%	0.02	18%	0.177	C	C	.	.			trans	-130.6	126.1	-179.1	-50.7	-74.4	0	0	0	110.6	T455 L461 E481	Y431-T455 HydrophobicContact CD1-CG2 4.3Å; Y431-L461 HydrophobicContact CD1-CD1 4.02Å; Y431-L461 HydrophobicContact CD1-CD2 4.32Å; Y431-L461 HydrophobicContact CD1-CG 4.45Å; Y431-L461 HydrophobicContact CD2-CD1 3.8Å; Y431-L461 HydrophobicContact CE1-CD1 4.2Å; Y431-L461 HydrophobicContact CE1-CD2 3.76Å; Y431-L461 HydrophobicContact CE1-CG 4.38Å; Y431-L461 HydrophobicContact CE2-CD1 3.97Å; Y431-L461 HydrophobicContact CE2-CD2 4.31Å; Y431-L461 HydrophobicContact CG-CD1 3.8Å; Y431-E481 PolarHBondContact OH-OE2 3.38Å
432	N	94.1	Very high	94.2	Very high	38 Å²	38	35.5 Å²	35.5	20%	0.203	19%	0.189	C	C	.	.			trans	-97	111.1	165.1	-55.8	-45.5	0	0	0	108.5	H339 T455 D456	H339-N432 VanDerWaalsContact CE1-CA 3.44Å; H339-N432 WeakPolarHBondContact CE1-CA 3.4Å; N432-T455 CarbonylContact O-C 3.57Å; N432-T455 WeakPolarHBondContact O-CA 3.17Å; N432-T455 WeakPolarHBondContact O-CB 3.39Å; N432-D456 HydrophobicContact CB-CB 4.21Å; N432-D456 VanDerWaalsContact CB-CG 3.49Å; N432-D456 WeakPolarHBondContact CB-OD2 3.41Å; N432-D456 PolarHBondContact ND2-OD2 3.24Å; N432-D456 PolarHBondContact O-N 3.35Å
433	L	97.3	Very high	94	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.2	-171.4	-47.9	-176.4	0	0	0	109.7	L328 H339 K426 I453 T455 L461	L328-L433 HydrophobicContact CD1-CB 3.78Å; L328-L433 HydrophobicContact CD1-CD1 3.9Å; L328-L433 HydrophobicContact CD1-CG 4.48Å; L328-L433 HydrophobicContact CD2-CB 3.89Å; L328-L433 HydrophobicContact CG-CB 4.38Å; H339-L433 HydrophobicContact CB-CB 4.08Å; H339-L433 HydrophobicContact CB-CD1 3.59Å; H339-L433 HydrophobicContact CB-CG 3.76Å; H339-L433 PolarHBondContact CD2-N 2.77Å; H339-L433 PolarHBondContact CD2-O 2.97Å; H339-L433 PolarHBondContact NE2-N 3.36Å; H339-L433 PolarHBondContact NE2-O 2.87Å; K426-L433 HydrophobicContact CB-CD1 4.41Å; K426-L433 HydrophobicContact CG-CD1 4.21Å; L433-I453 HydrophobicContact CB-CG2 3.97Å; L433-I453 HydrophobicContact CD1-CG2 4.05Å; L433-I453 HydrophobicContact CD2-CG2 3.79Å; L433-I453 HydrophobicContact CG-CG2 4.13Å; L433-T455 HydrophobicContact CD2-CG2 4.15Å; L433-L461 HydrophobicContact CD2-CD1 4.33Å
434	K	97.4	Very high	93.7	Very high	61 Å²	61	39.3 Å²	39.3	27%	0.265	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	-30.4	-173.3	-67.2	-63	171.7	-167.7	0	115.6	E310 G454 D456	E310-K434 IonicContact OE1-NZ 3.7Å; E310-K434 PolarHBondContact OE1-NZ 3.34Å; K434-G454 PolarHBondContact N-O 3.41Å; K434-D456 HydrophobicContact CG-CB 4.08Å
435	Q	98.2	Very high	93.4	Very high	30 Å²	30	42 Å²	42	14%	0.14	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	150.8	-175.3	-70.4	-70.4	-73.6	0	0	109.8	D311 I453 G454 I491 M494	D311-Q435 VanDerWaalsContact OD2-CA 3.31Å; D311-Q435 WeakPolarHBondContact OD2-CA 3.41Å; Q435-I453 CarbonylContact O-C 3.15Å; Q435-I453 WeakPolarHBondContact O-CA 3.48Å; Q435-G454 PolarHBondContact N-O 2.92Å; Q435-G454 PolarHBondContact O-N 2.98Å; Q435-I491 HydrophobicContact CB-CG2 4.18Å; Q435-I491 HydrophobicContact CG-CG2 4.05Å; Q435-M494 HydrophobicContact CB-CB 4.27Å; Q435-M494 HydrophobicContact CB-CG 3.8Å; Q435-M494 HydrophobicContact CB-SD 3.35Å; Q435-M494 WeakPolarHBondContact CB-SD 3.13Å; Q435-M494 HydrophobicContact CG-CG 4.42Å; Q435-M494 HydrophobicContact CG-SD 4.48Å
436	I	98.6	Very high	93.2	Very high	2 Å²	2	41 Å²	41	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.2	178.7	-171.1	-179.5	0	0	0	111.1	D311 F313 F326 L328 I341 V438 L451 F452	D311-I436 HydrophobicContact CB-CG2 4.12Å; D311-I436 PolarHBondContact OD2-N 2.98Å; F313-I436 HydrophobicContact CB-CG2 4.03Å; F326-I436 HydrophobicContact CB-CD1 4.08Å; F326-I436 HydrophobicContact CD1-CD1 4.47Å; L328-I436 HydrophobicContact CB-CG2 4.18Å; I341-I436 HydrophobicContact CD1-CD1 3.87Å; I341-I436 HydrophobicContact CG1-CD1 4.43Å; I341-I436 HydrophobicContact CG2-CD1 3.89Å; I436-V438 HydrophobicContact CD1-CG2 4.02Å; I436-V438 HydrophobicContact CG1-CG2 4.03Å; I436-L451 HydrophobicContact CD1-CD2 4.23Å; I436-F452 WeakPolarHBondContact CA-O 3.18Å
437	A	98.4	Very high	93.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.9	165.4	0	0	0	0	0	109.3	F313 F452 M494 I496 L503	F313-A437 HydrophobicContact CD2-CB 4.36Å; F313-A437 HydrophobicContact CE2-CB 4.15Å; A437-F452 HydrophobicContact CB-CB 4.45Å; A437-F452 PolarHBondContact N-O 2.67Å; A437-F452 PolarHBondContact O-N 3.49Å; A437-M494 HydrophobicContact CB-CE 4.24Å; A437-I496 HydrophobicContact CB-CB 4.09Å; A437-I496 HydrophobicContact CB-CD1 4.12Å; A437-I496 HydrophobicContact CB-CG2 4.28Å; A437-L503 HydrophobicContact CB-CD1 3.97Å
438	V	98.4	Very high	93.5	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.7	-176.2	-172.3	0	0	0	0	110.2	F313 L315 F326 I436 D449 V450 L451	F313-V438 HydrophobicContact CD1-CB 3.73Å; F313-V438 HydrophobicContact CD1-CG2 3.9Å; F313-V438 HydrophobicContact CE1-CB 3.75Å; F313-V438 HydrophobicContact CE1-CG2 4.42Å; F313-V438 WeakPolarHBondContact CE1-O 3.46Å; F313-V438 HydrophobicContact CG-CG2 4.41Å; F313-V438 VanDerWaalsContact CZ-O 3.28Å; F313-V438 WeakPolarHBondContact CZ-O 3.46Å; L315-V438 HydrophobicContact CD1-CG1 4.49Å; L315-V438 HydrophobicContact CD2-CG1 4.31Å; F326-V438 HydrophobicContact CB-CG2 4.39Å; F326-V438 HydrophobicContact CD1-CG2 3.98Å; F326-V438 HydrophobicContact CD2-CB 4.48Å; F326-V438 HydrophobicContact CD2-CG2 4.05Å; F326-V438 HydrophobicContact CE1-CG1 4.31Å; F326-V438 HydrophobicContact CE1-CG2 4.26Å; F326-V438 HydrophobicContact CE2-CB 4.42Å; F326-V438 HydrophobicContact CE2-CG1 4.07Å; F326-V438 HydrophobicContact CE2-CG2 4.33Å; F326-V438 HydrophobicContact CG-CG2 3.88Å; F326-V438 HydrophobicContact CZ-CG1 3.93Å; F326-V438 HydrophobicContact CZ-CG2 4.44Å; I436-V438 HydrophobicContact CD1-CG2 4.02Å; I436-V438 HydrophobicContact CG1-CG2 4.03Å; V438-D449 HydrophobicContact CG1-CB 3.95Å; V438-V450 WeakPolarHBondContact CA-O 3.49Å; V438-L451 HydrophobicContact CG2-CG 4.49Å
439	D	97.8	Very high	94.1	Very high	13 Å²	13	40.7 Å²	40.7	7%	0.07	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.2	171.8	-171.6	44.3	0	0	0	110.3	V441 V450 F452 I496 S498 F516 Y536	D439-V441 WeakPolarHBondContact OD2-CG2 3.39Å; D439-V450 PolarHBondContact N-O 3.48Å; D439-V450 PolarHBondContact O-N 2.76Å; D439-F452 HydrophobicContact CB-CE2 4.33Å; D439-I496 HydrophobicContact CB-CD1 4Å; D439-S498 VanDerWaalsContact OD1-CB 3.26Å; D439-S498 WeakPolarHBondContact OD1-CB 3.35Å; D439-S498 PolarHBondContact OD1-OG 3.03Å; D439-F516 HydrophobicContact CB-CE2 4.15Å; D439-F516 WeakPolarHBondContact OD2-CE2 3.49Å; D439-Y536 VanDerWaalsContact CB-OH 3.26Å; D439-Y536 WeakPolarHBondContact CB-OH 3.45Å; D439-Y536 VanDerWaalsContact CG-OH 3.31Å; D439-Y536 PolarHBondContact OD2-OH 3.19Å
440	R	96.3	Very high	94.8	Very high	86 Å²	86	38.1 Å²	38.1	33%	0.325	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	116.8	175.4	-179.7	163.5	-69	173.3	0.4	110	L315 Y448 D449	L315-R440 HydrophobicContact CD1-CB 4.23Å; L315-R440 HydrophobicContact CD2-CB 4.26Å; R440-Y448 WeakPolarHBondContact CA-O 3.29Å; R440-D449 IonicContact CZ-OD1 3.25Å; R440-D449 VanDerWaalsContact CZ-OD1 3.3Å; R440-D449 IonicContact CZ-OD2 3.63Å; R440-D449 IonicContact NE-OD1 2.8Å; R440-D449 PolarHBondContact NE-OD1 2.79Å; R440-D449 IonicContact NE-OD2 3.42Å; R440-D449 IonicContact NH2-OD1 3.51Å; R440-D449 PolarHBondContact NH2-OD1 2.8Å; R440-D449 IonicContact NH2-OD2 3.64Å; R440-D449 PolarHBondContact NH2-OD2 2.85Å
441	V	94.3	Very high	95.3	Very high	14 Å²	14	34.1 Å²	34.1	9%	0.085	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136	-171.6	-168.2	0	0	0	0	110.2	D439 Q447 Y448 V450 P535 Y536	D439-V441 WeakPolarHBondContact OD2-CG2 3.39Å; V441-Q447 WeakPolarHBondContact O-CA 3.4Å; V441-Y448 PolarHBondContact N-O 3.44Å; V441-Y448 PolarHBondContact O-N 3.04Å; V441-V450 HydrophobicContact CB-CG2 4.48Å; V441-V450 HydrophobicContact CG2-CG2 3.74Å; V441-P535 HydrophobicContact CB-CB 4.13Å; V441-P535 HydrophobicContact CG1-CB 4.03Å; V441-Y536 HydrophobicContact CB-CE1 4.19Å; V441-Y536 HydrophobicContact CG1-CD1 3.77Å; V441-Y536 HydrophobicContact CG1-CE1 3.79Å; V441-Y536 HydrophobicContact CG1-CG 4.46Å; V441-Y536 HydrophobicContact CG2-CD1 4.04Å; V441-Y536 HydrophobicContact CG2-CE1 3.26Å; V441-Y536 HydrophobicContact CG2-CE2 4Å; V441-Y536 VanDerWaalsContact CG2-OH 3.26Å; V441-Y536 WeakPolarHBondContact CG2-OH 3.47Å
442	E	92.6	Very high	95.7	Very high	91 Å²	91	34.1 Å²	34.1	43%	0.425	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	127.6	167.2	-64.1	-171.3	163.7	0	0	109.7	Q447 Y547 P549	E442-Q447 HydrophobicContact CG-CG 4.16Å; E442-Q447 PolarHBondContact OE1-NE2 3.42Å; E442-Y547 WeakPolarHBondContact O-CD1 3.32Å; E442-Y547 WeakPolarHBondContact O-CE1 3.27Å; E442-P549 HydrophobicContact CB-CG 4.16Å
443	A	92.4	Very high	95.9	Very high	10 Å²	10	32.3 Å²	32.3	8%	0.083	16%	0.161	C	C	.	.			trans	-118.5	176.4	173.3	0	0	0	0	0	110.2	D445 G446 Y448 P535 V563	A443-D445 VanDerWaalsContact C-N 3.31Å; A443-D445 PolarHBondContact O-N 3.06Å; A443-G446 WeakPolarHBondContact CA-O 3.26Å; A443-G446 PolarHBondContact N-O 3.2Å; A443-Y448 HydrophobicContact CB-CD2 3.8Å; A443-Y448 HydrophobicContact CB-CE2 3.87Å; A443-P535 HydrophobicContact CB-CB 4.26Å; A443-V563 HydrophobicContact CB-CG2 4.05Å
444	E	88.7	Confident	96	Very high	96 Å²	96	32.3 Å²	32.3	45%	0.449	16%	0.16	S	C	.	.	S	Bend	trans	-62.4	-35.3	179.3	-175.1	161.5	-164.5	0	0	113.5	Y547 Q561	E444-Y547 HydrophobicContact CB-CE2 4.21Å; E444-Q561 HydrophobicContact CB-CB 4.08Å; E444-Q561 PolarHBondContact OE2-N 2.71Å
445	D	90.3	Very high	96	Very high	64 Å²	64	29.4 Å²	29.4	34%	0.342	15%	0.148	S	C	.	.	S	Bend	trans	-103.8	-0.9	-174.5	61.3	-25.2	0	0	0	114.2	A443 Y448 V563 R564	A443-D445 VanDerWaalsContact C-N 3.31Å; A443-D445 PolarHBondContact O-N 3.06Å; D445-Y448 VanDerWaalsContact CG-OH 3.25Å; D445-Y448 VanDerWaalsContact OD1-CE2 3.27Å; D445-Y448 WeakPolarHBondContact OD1-CE2 3.07Å; D445-Y448 PolarHBondContact OD1-OH 2.9Å; D445-Y448 PolarHBondContact OD2-OH 3.22Å; D445-V563 PolarHBondContact OD2-N 2.75Å; D445-R564 VanDerWaalsContact OD2-CB 3.3Å; D445-R564 WeakPolarHBondContact OD2-CB 3.48Å; D445-R564 PolarHBondContact OD2-N 3.08Å
446	G	91.9	Very high	95.9	Very high	32 Å²	32	30.4 Å²	30.4	33%	0.33	15%	0.154	S	C	.	.			trans	157.9	-165.4	177.1	0	0	0	0	0	114.6	A443	A443-G446 WeakPolarHBondContact CA-O 3.26Å; A443-G446 PolarHBondContact N-O 3.2Å
447	Q	94.1	Very high	95.8	Very high	109 Å²	109	32.5 Å²	32.5	51%	0.509	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.9	171.9	-70.4	-172.9	-23.4	0	0	109.9	V441 E442	V441-Q447 WeakPolarHBondContact O-CA 3.4Å; E442-Q447 HydrophobicContact CG-CG 4.16Å; E442-Q447 PolarHBondContact OE1-NE2 3.42Å
448	Y	96.2	Very high	95.7	Very high	23 Å²	23	32.5 Å²	32.5	9%	0.09	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.2	179.4	-67.6	-88.4	0	0	0	110.2	R440 V441 A443 D445 I466 P535 V563 R564	R440-Y448 WeakPolarHBondContact CA-O 3.29Å; V441-Y448 PolarHBondContact N-O 3.44Å; V441-Y448 PolarHBondContact O-N 3.04Å; A443-Y448 HydrophobicContact CB-CD2 3.8Å; A443-Y448 HydrophobicContact CB-CE2 3.87Å; D445-Y448 VanDerWaalsContact CG-OH 3.25Å; D445-Y448 VanDerWaalsContact OD1-CE2 3.27Å; D445-Y448 WeakPolarHBondContact OD1-CE2 3.07Å; D445-Y448 PolarHBondContact OD1-OH 2.9Å; D445-Y448 PolarHBondContact OD2-OH 3.22Å; Y448-I466 HydrophobicContact CE1-CG1 4.21Å; Y448-P535 HydrophobicContact CD2-CB 4.33Å; Y448-P535 HydrophobicContact CD2-CG 4.2Å; Y448-P535 HydrophobicContact CG-CG 3.98Å; Y448-V563 HydrophobicContact CD1-CG1 3.77Å; Y448-V563 HydrophobicContact CD2-CB 4.36Å; Y448-V563 HydrophobicContact CD2-CG1 3.96Å; Y448-V563 HydrophobicContact CE1-CB 4.23Å; Y448-V563 HydrophobicContact CE1-CG1 3.41Å; Y448-V563 VanDerWaalsContact CE1-CG1 3.41Å; Y448-V563 HydrophobicContact CE2-CB 3.69Å; Y448-V563 HydrophobicContact CE2-CG1 3.61Å; Y448-V563 HydrophobicContact CE2-CG2 4.15Å; Y448-V563 HydrophobicContact CG-CG1 4.03Å; Y448-R564 WeakPolarHBondContact OH-CB 2.99Å; Y448-R564 PolarHBondContact OH-N 2.74Å
449	D	97.3	Very high	95.6	Very high	39 Å²	39	33 Å²	33	21%	0.209	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	111.8	166.7	-67.3	-20.1	0	0	0	107	L315 F326 V438 R440 L451	L315-D449 WeakPolarHBondContact CD2-OD1 3.25Å; F326-D449 HydrophobicContact CZ-CB 4.13Å; V438-D449 HydrophobicContact CG1-CB 3.95Å; R440-D449 IonicContact CZ-OD1 3.25Å; R440-D449 VanDerWaalsContact CZ-OD1 3.3Å; R440-D449 IonicContact CZ-OD2 3.63Å; R440-D449 IonicContact NE-OD1 2.8Å; R440-D449 PolarHBondContact NE-OD1 2.79Å; R440-D449 IonicContact NE-OD2 3.42Å; R440-D449 IonicContact NH2-OD1 3.51Å; R440-D449 PolarHBondContact NH2-OD1 2.8Å; R440-D449 IonicContact NH2-OD2 3.64Å; R440-D449 PolarHBondContact NH2-OD2 2.85Å; D449-L451 WeakPolarHBondContact O-CD1 3.31Å
450	V	98.3	Very high	95.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	119.7	177.4	-175.2	0	0	0	0	108.6	V438 D439 V441 F452 K462 I464 P535 Y536	V438-V450 WeakPolarHBondContact CA-O 3.49Å; D439-V450 PolarHBondContact N-O 3.48Å; D439-V450 PolarHBondContact O-N 2.76Å; V441-V450 HydrophobicContact CB-CG2 4.48Å; V441-V450 HydrophobicContact CG2-CG2 3.74Å; V450-F452 HydrophobicContact CG1-CE2 4.18Å; V450-F452 HydrophobicContact CG1-CZ 4.19Å; V450-K462 HydrophobicContact CG1-CD 4.48Å; V450-K462 HydrophobicContact CG1-CG 3.8Å; V450-I464 HydrophobicContact CB-CG2 4.3Å; V450-I464 HydrophobicContact CG1-CG2 4.31Å; V450-I464 HydrophobicContact CG2-CG2 3.83Å; V450-P535 HydrophobicContact CG2-CB 4.42Å; V450-P535 HydrophobicContact CG2-CG 3.96Å; V450-Y536 HydrophobicContact CB-CE2 4.21Å; V450-Y536 HydrophobicContact CG1-CE2 4.07Å; V450-Y536 HydrophobicContact CG2-CE2 3.95Å
451	L	98.7	Very high	95.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.9	-178.7	-58.9	84.9	0	0	0	109.4	I341 I423 I436 V438 D449 I453 K462 V463 T465	I341-L451 HydrophobicContact CD1-CD2 3.74Å; I341-L451 HydrophobicContact CG2-CD2 4.19Å; I423-L451 HydrophobicContact CD1-CD2 3.89Å; I436-L451 HydrophobicContact CD1-CD2 4.23Å; V438-L451 HydrophobicContact CG2-CG 4.49Å; D449-L451 WeakPolarHBondContact O-CD1 3.31Å; L451-I453 HydrophobicContact CB-CD1 4.2Å; L451-I453 HydrophobicContact CB-CG1 4.09Å; L451-I453 HydrophobicContact CD2-CD1 4.49Å; L451-K462 CarbonylContact O-C 3.58Å; L451-K462 WeakPolarHBondContact O-CA 3.23Å; L451-V463 HydrophobicContact CB-CB 4.48Å; L451-V463 WeakPolarHBondContact CD1-O 3.23Å; L451-V463 PolarHBondContact N-O 3.19Å; L451-V463 PolarHBondContact O-N 3.07Å; L451-T465 HydrophobicContact CD1-CG2 4.44Å
452	F	98.7	Very high	95.9	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.8	164.6	-59.8	-86.5	0	0	0	107.8	I436 A437 D439 V450 V460 L461 K462 M494 I496 L503 F516 Y536	I436-F452 WeakPolarHBondContact CA-O 3.18Å; A437-F452 HydrophobicContact CB-CB 4.45Å; A437-F452 PolarHBondContact N-O 2.67Å; A437-F452 PolarHBondContact O-N 3.49Å; D439-F452 HydrophobicContact CB-CE2 4.33Å; V450-F452 HydrophobicContact CG1-CE2 4.18Å; V450-F452 HydrophobicContact CG1-CZ 4.19Å; F452-V460 HydrophobicContact CB-CG1 4.3Å; F452-V460 HydrophobicContact CD1-CG1 4.42Å; F452-L461 CarbonylContact C-O 3.51Å; F452-L461 WeakPolarHBondContact CA-O 3.41Å; F452-K462 HydrophobicContact CD1-CB 4.4Å; F452-K462 HydrophobicContact CD1-CG 4.29Å; F452-K462 HydrophobicContact CE1-CB 4.42Å; F452-K462 HydrophobicContact CE1-CD 4Å; F452-K462 HydrophobicContact CE1-CG 3.93Å; F452-M494 HydrophobicContact CB-CE 3.87Å; F452-M494 WeakPolarHBondContact O-CE 3.35Å; F452-I496 HydrophobicContact CD2-CD1 4.2Å; F452-I496 HydrophobicContact CE2-CD1 4.33Å; F452-L503 HydrophobicContact CB-CD2 4.15Å; F452-L503 HydrophobicContact CD1-CD2 4.35Å; F452-L503 HydrophobicContact CG-CD2 4.39Å; F452-F516 HydrophobicContact CE1-CD1 4.32Å; F452-F516 HydrophobicContact CE2-CD1 4.14Å; F452-F516 HydrophobicContact CE2-CE1 4.28Å; F452-F516 HydrophobicContact CE2-CG 4.34Å; F452-F516 HydrophobicContact CZ-CB 3.98Å; F452-F516 AromaticContact CZ-CD1 3.74Å; F452-F516 HydrophobicContact CZ-CD1 3.74Å; F452-F516 HydrophobicContact CZ-CD2 4.4Å; F452-F516 HydrophobicContact CZ-CE1 4.33Å; F452-F516 AromaticContact CZ-CG 3.8Å; F452-F516 HydrophobicContact CZ-CG 3.8Å; F452-Y536 HydrophobicContact CZ-CE2 4.24Å
453	I	98.6	Very high	96.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	115.7	-172	-51.4	163.6	0	0	0	109.2	I341 L424 L433 Q435 L451 V460 L461 V463	I341-I453 HydrophobicContact CD1-CD1 3.54Å; I341-I453 HydrophobicContact CD1-CG1 4.04Å; L424-I453 HydrophobicContact CD2-CD1 3.55Å; L433-I453 HydrophobicContact CB-CG2 3.97Å; L433-I453 HydrophobicContact CD1-CG2 4.05Å; L433-I453 HydrophobicContact CD2-CG2 3.79Å; L433-I453 HydrophobicContact CG-CG2 4.13Å; Q435-I453 CarbonylContact O-C 3.15Å; Q435-I453 WeakPolarHBondContact O-CA 3.48Å; L451-I453 HydrophobicContact CB-CD1 4.2Å; L451-I453 HydrophobicContact CB-CG1 4.09Å; L451-I453 HydrophobicContact CD2-CD1 4.49Å; I453-V460 CarbonylContact O-C 3.49Å; I453-V460 WeakPolarHBondContact O-CA 3.43Å; I453-L461 HydrophobicContact CB-CB 4.38Å; I453-L461 PolarHBondContact N-O 3.17Å; I453-L461 PolarHBondContact O-N 2.74Å; I453-V463 HydrophobicContact CD1-CB 4.44Å; I453-V463 HydrophobicContact CD1-CG2 4.17Å
454	G	98.3	Very high	96.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	150.9	175.8	0	0	0	0	0	112.3	K434 Q435 M494	K434-G454 PolarHBondContact N-O 3.41Å; Q435-G454 PolarHBondContact N-O 2.92Å; Q435-G454 PolarHBondContact O-N 2.98Å; G454-M494 PolarHBondContact N-SD 3.44Å; G454-M494 VanDerWaalsContact N-SD 3.45Å
455	T	97.7	Very high	96.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	171	-176.2	58.5	0	0	0	0	112.7	Y431 N432 L433 N457 I459 I491	Y431-T455 HydrophobicContact CD1-CG2 4.3Å; N432-T455 CarbonylContact O-C 3.57Å; N432-T455 WeakPolarHBondContact O-CA 3.17Å; N432-T455 WeakPolarHBondContact O-CB 3.39Å; L433-T455 HydrophobicContact CD2-CG2 4.15Å; T455-N457 PolarHBondContact O-N 2.77Å; T455-N457 PolarHBondContact OG1-OD1 2.57Å; T455-I459 HydrophobicContact CG2-CB 4.27Å; T455-I459 PolarHBondContact N-O 3.5Å; T455-I459 WeakPolarHBondContact OG1-CA 3.29Å; T455-I459 VanDerWaalsContact OG1-CB 3.32Å; T455-I459 WeakPolarHBondContact OG1-CB 3.42Å; T455-I459 PolarHBondContact OG1-N 3.33Å; T455-I459 PolarHBondContact OG1-O 3.01Å; T455-I491 PolarHBondContact O-N 2.8Å
456	D	95.9	Very high	96.8	Very high	51 Å²	51	17.4 Å²	17.4	27%	0.273	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.4	175.5	71.4	-23.6	0	0	0	115	N432 K434 V489 P490	N432-D456 HydrophobicContact CB-CB 4.21Å; N432-D456 VanDerWaalsContact CB-CG 3.49Å; N432-D456 WeakPolarHBondContact CB-OD2 3.41Å; N432-D456 PolarHBondContact ND2-OD2 3.24Å; N432-D456 PolarHBondContact O-N 3.35Å; K434-D456 HydrophobicContact CG-CB 4.08Å; D456-V489 CarbonylContact O-C 3.53Å; D456-P490 WeakPolarHBondContact O-CA 3.23Å; D456-P490 WeakPolarHBondContact O-CD 3.32Å; D456-P490 VanDerWaalsContact O-CG 3.32Å; D456-P490 WeakPolarHBondContact O-CG 3.35Å; D456-P490 VanDerWaalsContact O-N 3.13Å
457	N	95.8	Very high	96.8	Very high	47 Å²	47	18.7 Å²	18.7	25%	0.251	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	19.6	-178.8	67.5	-0.6	0	0	0	113.6	T455 I459 Q483 P488 V489	T455-N457 PolarHBondContact O-N 2.77Å; T455-N457 PolarHBondContact OG1-OD1 2.57Å; N457-I459 WeakPolarHBondContact OD1-CD1 3.19Å; N457-I459 WeakPolarHBondContact OD1-CG1 3.42Å; N457-Q483 PolarHBondContact O-NE2 3.21Å; N457-Q483 VanDerWaalsContact O-NE2 3.16Å; N457-P488 HydrophobicContact CB-CB 4.05Å; N457-P488 WeakPolarHBondContact O-CA 3.33Å; N457-V489 CarbonylContact C-O 3.56Å
458	G	96.7	Very high	96.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	83.3	15.1	170.3	0	0	0	0	0	114.3	I484 V489	G458-I484 WeakPolarHBondContact O-CB 3.22Å; G458-I484 PolarHBondContact O-N 3.08Å; G458-V489 WeakPolarHBondContact CA-O 3.28Å; G458-V489 PolarHBondContact N-O 3.5Å
459	I	97.5	Very high	95.9	Very high	13 Å²	13	22 Å²	22	7%	0.067	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	138.4	175.1	-61.7	171.4	0	0	0	110	T455 N457 L461 E481 L482 I491	T455-I459 HydrophobicContact CG2-CB 4.27Å; T455-I459 PolarHBondContact N-O 3.5Å; T455-I459 WeakPolarHBondContact OG1-CA 3.29Å; T455-I459 VanDerWaalsContact OG1-CB 3.32Å; T455-I459 WeakPolarHBondContact OG1-CB 3.42Å; T455-I459 PolarHBondContact OG1-N 3.33Å; T455-I459 PolarHBondContact OG1-O 3.01Å; N457-I459 WeakPolarHBondContact OD1-CD1 3.19Å; N457-I459 WeakPolarHBondContact OD1-CG1 3.42Å; I459-L461 HydrophobicContact CG2-CD2 4.16Å; I459-L461 HydrophobicContact CG2-CG 4.46Å; I459-E481 HydrophobicContact CG2-CG 3.57Å; I459-L482 CarbonylContact C-O 3.52Å; I459-L482 WeakPolarHBondContact CA-O 3.45Å; I459-I491 WeakPolarHBondContact O-CD1 3.33Å
460	V	98.3	Very high	95.4	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.1	161.9	171.7	0	0	0	0	110	F452 I453 L482 I484 I491 M494 L503 I505	F452-V460 HydrophobicContact CB-CG1 4.3Å; F452-V460 HydrophobicContact CD1-CG1 4.42Å; I453-V460 CarbonylContact O-C 3.49Å; I453-V460 WeakPolarHBondContact O-CA 3.43Å; V460-L482 PolarHBondContact N-O 3.19Å; V460-L482 PolarHBondContact O-N 3.33Å; V460-I484 HydrophobicContact CB-CD1 4.28Å; V460-I484 HydrophobicContact CB-CG1 4.14Å; V460-I484 HydrophobicContact CG2-CD1 4.32Å; V460-I484 HydrophobicContact CG2-CG1 3.77Å; V460-I491 HydrophobicContact CG2-CD1 3.64Å; V460-M494 HydrophobicContact CG2-CE 4.48Å; V460-L503 HydrophobicContact CG1-CD2 4.22Å; V460-L503 HydrophobicContact CG2-CD2 4.45Å; V460-I505 HydrophobicContact CG2-CD1 3.61Å
461	L	97.9	Very high	94.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	133	169	-60.3	174.9	0	0	0	109.5	Y431 L433 F452 I453 I459 V463 I478 E480 E481	Y431-L461 HydrophobicContact CD1-CD1 4.02Å; Y431-L461 HydrophobicContact CD1-CD2 4.32Å; Y431-L461 HydrophobicContact CD1-CG 4.45Å; Y431-L461 HydrophobicContact CD2-CD1 3.8Å; Y431-L461 HydrophobicContact CE1-CD1 4.2Å; Y431-L461 HydrophobicContact CE1-CD2 3.76Å; Y431-L461 HydrophobicContact CE1-CG 4.38Å; Y431-L461 HydrophobicContact CE2-CD1 3.97Å; Y431-L461 HydrophobicContact CE2-CD2 4.31Å; Y431-L461 HydrophobicContact CG-CD1 3.8Å; L433-L461 HydrophobicContact CD2-CD1 4.33Å; F452-L461 CarbonylContact C-O 3.51Å; F452-L461 WeakPolarHBondContact CA-O 3.41Å; I453-L461 HydrophobicContact CB-CB 4.38Å; I453-L461 PolarHBondContact N-O 3.17Å; I453-L461 PolarHBondContact O-N 2.74Å; I459-L461 HydrophobicContact CG2-CD2 4.16Å; I459-L461 HydrophobicContact CG2-CG 4.46Å; L461-V463 HydrophobicContact CB-CG2 3.98Å; L461-I478 HydrophobicContact CD2-CG2 4.49Å; L461-E480 WeakPolarHBondContact CA-O 3.03Å; L461-E481 HydrophobicContact CD2-CB 4.05Å; L461-E481 HydrophobicContact CD2-CG 3.84Å
462	K	98.2	Very high	94.1	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	115.9	168.7	-176.5	-176.8	167.7	-175.9	0	108.6	V450 L451 F452 L479 E480 F516 D534	V450-K462 HydrophobicContact CG1-CD 4.48Å; V450-K462 HydrophobicContact CG1-CG 3.8Å; L451-K462 CarbonylContact O-C 3.58Å; L451-K462 WeakPolarHBondContact O-CA 3.23Å; F452-K462 HydrophobicContact CD1-CB 4.4Å; F452-K462 HydrophobicContact CD1-CG 4.29Å; F452-K462 HydrophobicContact CE1-CB 4.42Å; F452-K462 HydrophobicContact CE1-CD 4Å; F452-K462 HydrophobicContact CE1-CG 3.93Å; K462-L479 HydrophobicContact CB-CB 4.47Å; K462-L479 HydrophobicContact CD-CB 4.3Å; K462-L479 HydrophobicContact CD-CD1 4.35Å; K462-L479 HydrophobicContact CG-CB 4.23Å; K462-L479 HydrophobicContact CG-CD1 4.2Å; K462-L479 WeakPolarHBondContact O-CB 3.45Å; K462-L479 PolarHBondContact O-N 2.79Å; K462-E480 HydrophobicContact CB-CB 3.96Å; K462-E480 HydrophobicContact CD-CB 4.35Å; K462-E480 HydrophobicContact CD-CG 4.06Å; K462-E480 PolarHBondContact N-O 2.87Å; K462-E480 IonicContact NZ-OE1 3.95Å; K462-E480 PolarHBondContact NZ-OE1 3.41Å; K462-E480 PolarHBondContact O-N 2.89Å; K462-F516 WeakPolarHBondContact CE-O 3.44Å; K462-F516 PolarHBondContact NZ-O 3.17Å; K462-D534 VanDerWaalsContact NZ-CG 3.3Å; K462-D534 IonicContact NZ-OD1 3.94Å; K462-D534 PolarHBondContact NZ-OD1 3.37Å; K462-D534 IonicContact NZ-OD2 2.74Å; K462-D534 PolarHBondContact NZ-OD2 2.93Å
463	V	97.8	Very high	93.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.3	-169.2	-175.4	0	0	0	0	109.8	L451 I453 L461 E476 V477 I478	L451-V463 HydrophobicContact CB-CB 4.48Å; L451-V463 WeakPolarHBondContact CD1-O 3.23Å; L451-V463 PolarHBondContact N-O 3.19Å; L451-V463 PolarHBondContact O-N 3.07Å; I453-V463 HydrophobicContact CD1-CB 4.44Å; I453-V463 HydrophobicContact CD1-CG2 4.17Å; L461-V463 HydrophobicContact CB-CG2 3.98Å; V463-E476 HydrophobicContact CG1-CG 3.9Å; V463-V477 WeakPolarHBondContact CA-O 3.49Å; V463-I478 HydrophobicContact CG2-CG1 4.39Å; V463-I478 HydrophobicContact CG2-CG2 4.4Å
464	I	97.3	Very high	93.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	152.9	162.1	60.6	174.5	0	0	0	109.2	V450 I466 V477 L479 P535 V563	V450-I464 HydrophobicContact CB-CG2 4.3Å; V450-I464 HydrophobicContact CG1-CG2 4.31Å; V450-I464 HydrophobicContact CG2-CG2 3.83Å; I464-I466 HydrophobicContact CD1-CD1 4.26Å; I464-V477 HydrophobicContact CD1-CB 4.3Å; I464-V477 HydrophobicContact CG1-CB 3.7Å; I464-V477 HydrophobicContact CG1-CG1 4.36Å; I464-V477 HydrophobicContact CG1-CG2 4.25Å; I464-V477 PolarHBondContact N-O 3.47Å; I464-V477 PolarHBondContact O-N 3.07Å; I464-L479 HydrophobicContact CD1-CD2 4.48Å; I464-L479 HydrophobicContact CG1-CD1 4.48Å; I464-L479 HydrophobicContact CG2-CD1 3.95Å; I464-P535 HydrophobicContact CG2-CG 4.1Å; I464-V563 HydrophobicContact CD1-CG1 3.5Å
465	T	95.3	Very high	92.9	Very high	28 Å²	28	49.6 Å²	49.6	17%	0.172	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.9	175.1	60.8	0	0	0	0	109	I423 L451 E475	I423-T465 HydrophobicContact CB-CG2 4.36Å; I423-T465 HydrophobicContact CD1-CG2 4.49Å; I423-T465 VanDerWaalsContact O-CG2 3.3Å; I423-T465 WeakPolarHBondContact O-CG2 3.38Å; L451-T465 HydrophobicContact CD1-CG2 4.44Å; T465-E475 CarbonylContact C-O 3.58Å; T465-E475 VanDerWaalsContact CA-O 3.31Å; T465-E475 WeakPolarHBondContact CA-O 3.07Å
466	I	92.7	Very high	92.7	Very high	13 Å²	13	51.5 Å²	51.5	7%	0.067	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.9	-177.3	-62.9	164.2	0	0	0	108	Y448 I464 N468 E475 V477 R564	Y448-I466 HydrophobicContact CE1-CG1 4.21Å; I464-I466 HydrophobicContact CD1-CD1 4.26Å; I466-N468 PolarHBondContact O-N 3.42Å; I466-E475 HydrophobicContact CB-CB 4.31Å; I466-E475 PolarHBondContact N-O 2.74Å; I466-E475 PolarHBondContact O-N 3.3Å; I466-V477 HydrophobicContact CD1-CG2 4.06Å; I466-R564 HydrophobicContact CG2-CG 4.09Å
467	Y	90.5	Very high	92.7	Very high	59 Å²	59	49.4 Å²	49.4	23%	0.231	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	119.2	177.5	-175	-122.8	0	0	0	110.9	H419 Q469 S473 M474	H419-Y467 AromaticContact CE1-CD1 3.88Å; H419-Y467 AromaticContact CE1-CE1 3.69Å; H419-Y467 AromaticContact ND1-CE1 3.77Å; H419-Y467 AromaticContact ND1-CZ 3.66Å; Y467-Q469 HydrophobicContact CD1-CG 3.79Å; Y467-Q469 HydrophobicContact CE1-CB 4.35Å; Y467-Q469 HydrophobicContact CE1-CG 3.72Å; Y467-S473 WeakPolarHBondContact CD2-O 3.41Å; Y467-M474 HydrophobicContact CD2-CE 3.36Å; Y467-M474 HydrophobicContact CD2-CG 4.24Å; Y467-M474 HydrophobicContact CD2-SD 3.61Å; Y467-M474 HydrophobicContact CE2-CE 4.08Å; Y467-M474 HydrophobicContact CG-CE 3.86Å; Y467-M474 HydrophobicContact CG-SD 4.11Å
468	N	87.7	Confident	92.6	Very high	51 Å²	51	47.2 Å²	47.2	27%	0.273	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	109.6	168.7	-171.5	-26.7	0	0	0	109.3	I466 E470 M471 E472 S473	I466-N468 PolarHBondContact O-N 3.42Å; N468-E470 PolarHBondContact OD1-N 2.8Å; N468-M471 HydrophobicContact CB-CB 4.47Å; N468-M471 PolarHBondContact OD1-N 2.85Å; N468-E472 VanDerWaalsContact O-CA 3.28Å; N468-E472 WeakPolarHBondContact O-CA 3.46Å; N468-E472 PolarHBondContact O-N 2.83Å; N468-S473 PolarHBondContact N-O 3.19Å; N468-S473 PolarHBondContact O-N 3.39Å; N468-S473 VanDerWaalsContact O-N 3.11Å
469	Q	84.9	Confident	92.6	Very high	150 Å²	150	47.3 Å²	47.3	70%	0.701	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-35.6	-178.9	-67.3	-177.2	-12.6	0	0	112.9	Y467 E472	Y467-Q469 HydrophobicContact CD1-CG 3.79Å; Y467-Q469 HydrophobicContact CE1-CB 4.35Å; Y467-Q469 HydrophobicContact CE1-CG 3.72Å; Q469-E472 PolarHBondContact O-N 2.82Å
470	E	87	Confident	92.5	Very high	184 Å²	184	46.7 Å²	46.7	86%	0.86	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-39.8	-175.1	-62.6	179.2	179.6	0	0	111.6	N468	N468-E470 PolarHBondContact OD1-N 2.8Å
471	M	84.8	Confident	92.4	Very high	139 Å²	139	47.5 Å²	47.5	69%	0.685	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.1	179.5	-62.3	-176.3	67.9	0	0	112.9	N468 S473	N468-M471 HydrophobicContact CB-CB 4.47Å; N468-M471 PolarHBondContact OD1-N 2.85Å; M471-S473 WeakPolarHBondContact CB-OG 3.12Å; M471-S473 PolarHBondContact O-N 3.2Å
472	E	85.5	Confident	92.4	Very high	133 Å²	133	47.7 Å²	47.7	62%	0.621	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	41.5	49.1	-166.2	-65	-166.6	175.4	0	0	111.8	K421 N468 Q469	K421-E472 PolarHBondContact NZ-O 3.02Å; N468-E472 VanDerWaalsContact O-CA 3.28Å; N468-E472 WeakPolarHBondContact O-CA 3.46Å; N468-E472 PolarHBondContact O-N 2.83Å; Q469-E472 PolarHBondContact O-N 2.82Å
473	S	87.5	Confident	92.4	Very high	44 Å²	44	49.8 Å²	49.8	31%	0.308	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.9	-176.8	65.5	0	0	0	0	111.2	Y467 N468 M471	Y467-S473 WeakPolarHBondContact CD2-O 3.41Å; N468-S473 PolarHBondContact N-O 3.19Å; N468-S473 PolarHBondContact O-N 3.39Å; N468-S473 VanDerWaalsContact O-N 3.11Å; M471-S473 WeakPolarHBondContact CB-OG 3.12Å; M471-S473 PolarHBondContact O-N 3.2Å
474	M	90.6	Very high	92.3	Very high	47 Å²	47	49.8 Å²	49.8	23%	0.232	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.7	172.7	-69.3	-73.6	-178.2	0	0	107.5	I423 Y467	I423-M474 HydrophobicContact CG2-CE 3.91Å; I423-M474 HydrophobicContact CG2-SD 4.35Å; Y467-M474 HydrophobicContact CD2-CE 3.36Å; Y467-M474 HydrophobicContact CD2-CG 4.24Å; Y467-M474 HydrophobicContact CD2-SD 3.61Å; Y467-M474 HydrophobicContact CE2-CE 4.08Å; Y467-M474 HydrophobicContact CG-CE 3.86Å; Y467-M474 HydrophobicContact CG-SD 4.11Å
475	E	92.1	Very high	92.2	Very high	78 Å²	78	50.2 Å²	50.2	36%	0.364	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.4	169.8	-176.3	-169.6	168	0	0	108.8	T465 I466 V477 R533	T465-E475 CarbonylContact C-O 3.58Å; T465-E475 VanDerWaalsContact CA-O 3.31Å; T465-E475 WeakPolarHBondContact CA-O 3.07Å; I466-E475 HydrophobicContact CB-CB 4.31Å; I466-E475 PolarHBondContact N-O 2.74Å; I466-E475 PolarHBondContact O-N 3.3Å; E475-V477 HydrophobicContact CG-CG2 4.29Å; E475-R533 IonicContact OE1-CZ 3.41Å; E475-R533 VanDerWaalsContact OE1-CZ 3.26Å; E475-R533 IonicContact OE1-NH1 2.92Å; E475-R533 PolarHBondContact OE1-NH1 2.87Å; E475-R533 IonicContact OE1-NH2 2.56Å; E475-R533 PolarHBondContact OE1-NH2 2.61Å; E475-R533 IonicContact OE2-NH2 3.66Å; E475-R533 PolarHBondContact OE2-NH2 3.45Å
476	E	93.4	Very high	92.1	Very high	41 Å²	41	56.5 Å²	56.5	19%	0.192	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.1	171.1	178.8	-175.1	-175.5	0	0	110.1	L424 K426 V463 I478	L424-E476 HydrophobicContact CD1-CB 4.19Å; L424-E476 HydrophobicContact CD1-CG 3.63Å; L424-E476 WeakPolarHBondContact CD1-OE1 3.43Å; K426-E476 WeakPolarHBondContact CE-OE1 3.3Å; K426-E476 IonicContact NZ-OE1 2.76Å; K426-E476 PolarHBondContact NZ-OE1 2.8Å; K426-E476 IonicContact NZ-OE2 2.89Å; K426-E476 PolarHBondContact NZ-OE2 3.44Å; V463-E476 HydrophobicContact CG1-CG 3.9Å; E476-I478 HydrophobicContact CG-CG1 4.14Å; E476-I478 WeakPolarHBondContact OE1-CD1 3.48Å; E476-I478 WeakPolarHBondContact OE1-CG1 3.48Å
477	V	94.4	Very high	92	Very high	7 Å²	7	60.8 Å²	60.8	4%	0.042	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	109.5	171.1	-171.5	0	0	0	0	109.5	V463 I464 I466 E475 L479 R533	V463-V477 WeakPolarHBondContact CA-O 3.49Å; I464-V477 HydrophobicContact CD1-CB 4.3Å; I464-V477 HydrophobicContact CG1-CB 3.7Å; I464-V477 HydrophobicContact CG1-CG1 4.36Å; I464-V477 HydrophobicContact CG1-CG2 4.25Å; I464-V477 PolarHBondContact N-O 3.47Å; I464-V477 PolarHBondContact O-N 3.07Å; I466-V477 HydrophobicContact CD1-CG2 4.06Å; E475-V477 HydrophobicContact CG-CG2 4.29Å; V477-L479 HydrophobicContact CG1-CD2 3.96Å; V477-L479 PolarHBondContact O-N 3.42Å; V477-R533 HydrophobicContact CG1-CB 4.48Å
478	I	95.1	Very high	92.2	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	106.7	175.7	-50.1	178.5	0	0	0	108.9	T29 P31 R32 L461 V463 E476 Q608	T29-I478 WeakPolarHBondContact O-CD1 3.26Å; P31-I478 WeakPolarHBondContact CA-O 3.26Å; P31-I478 HydrophobicContact CB-CB 4.46Å; P31-I478 HydrophobicContact CB-CG2 3.68Å; R32-I478 PolarHBondContact N-O 2.87Å; L461-I478 HydrophobicContact CD2-CG2 4.49Å; V463-I478 HydrophobicContact CG2-CG1 4.39Å; V463-I478 HydrophobicContact CG2-CG2 4.4Å; E476-I478 HydrophobicContact CG-CG1 4.14Å; E476-I478 WeakPolarHBondContact OE1-CD1 3.48Å; E476-I478 WeakPolarHBondContact OE1-CG1 3.48Å; I478-Q608 PolarHBondContact O-NE2 2.93Å
479	L	95.9	Very high	92.5	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-52.9	-177.9	-58.3	176.6	0	0	0	110.9	R32 L33 K462 I464 V477 A532 R533 D534	R32-L479 WeakPolarHBondContact CB-O 3.41Å; R32-L479 PolarHBondContact N-O 2.88Å; L33-L479 PolarHBondContact N-O 2.88Å; K462-L479 HydrophobicContact CB-CB 4.47Å; K462-L479 HydrophobicContact CD-CB 4.3Å; K462-L479 HydrophobicContact CD-CD1 4.35Å; K462-L479 HydrophobicContact CG-CB 4.23Å; K462-L479 HydrophobicContact CG-CD1 4.2Å; K462-L479 WeakPolarHBondContact O-CB 3.45Å; K462-L479 PolarHBondContact O-N 2.79Å; I464-L479 HydrophobicContact CD1-CD2 4.48Å; I464-L479 HydrophobicContact CG1-CD1 4.48Å; I464-L479 HydrophobicContact CG2-CD1 3.95Å; V477-L479 HydrophobicContact CG1-CD2 3.96Å; V477-L479 PolarHBondContact O-N 3.42Å; L479-A532 VanDerWaalsContact CD2-O 3.27Å; L479-A532 WeakPolarHBondContact CD2-O 3.45Å; L479-R533 HydrophobicContact CD2-CB 4.48Å; L479-D534 HydrophobicContact CD1-CB 4.33Å; L479-D534 HydrophobicContact CD2-CB 4.44Å
480	E	96.1	Very high	93	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.9	-173.8	-54.1	176.3	-146.6	0	0	111.4	L33 L461 K462 L482 H518 Y522	L33-E480 HydrophobicContact CB-CG 4.32Å; L33-E480 HydrophobicContact CD2-CG 4.42Å; L33-E480 CarbonylContact O-C 3.54Å; L33-E480 VanDerWaalsContact O-CA 3.28Å; L33-E480 WeakPolarHBondContact O-CA 3.2Å; L461-E480 WeakPolarHBondContact CA-O 3.03Å; K462-E480 HydrophobicContact CB-CB 3.96Å; K462-E480 HydrophobicContact CD-CB 4.35Å; K462-E480 HydrophobicContact CD-CG 4.06Å; K462-E480 PolarHBondContact N-O 2.87Å; K462-E480 IonicContact NZ-OE1 3.95Å; K462-E480 PolarHBondContact NZ-OE1 3.41Å; K462-E480 PolarHBondContact O-N 2.89Å; E480-L482 HydrophobicContact CB-CD2 4.01Å; E480-L482 HydrophobicContact CB-CG 4.27Å; E480-H518 IonicContact OE1-ND1 2.73Å; E480-H518 IonicContact OE2-CE1 3.92Å; E480-H518 IonicContact OE2-CG 2.66Å; E480-H518 IonicContact OE2-ND1 3.26Å; E480-H518 PolarHBondContact OE2-ND1 3.16Å; E480-Y522 PolarHBondContact OE1-OH 2.74Å
481	E	96.6	Very high	93.5	Very high	20 Å²	20	49.3 Å²	49.3	9%	0.093	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	115.2	166.6	-176.7	-171	106.9	0	0	108.9	P31 L33 R34 L35 Y431 I459 L461	P31-E481 HydrophobicContact CB-CB 3.76Å; P31-E481 HydrophobicContact CG-CB 3.78Å; L33-E481 PolarHBondContact O-N 2.99Å; R34-E481 WeakPolarHBondContact CA-O 3.43Å; R34-E481 HydrophobicContact CG-CB 4.49Å; R34-E481 IonicContact CZ-OE1 3.72Å; R34-E481 VanDerWaalsContact CZ-OE1 3.27Å; R34-E481 IonicContact CZ-OE2 3.54Å; R34-E481 VanDerWaalsContact NE-CD 3.35Å; R34-E481 IonicContact NE-OE1 3.14Å; R34-E481 PolarHBondContact NE-OE1 2.72Å; R34-E481 IonicContact NE-OE2 3.29Å; R34-E481 IonicContact NH2-OE1 2.99Å; R34-E481 PolarHBondContact NH2-OE1 3.05Å; R34-E481 VanDerWaalsContact NH2-OE1 3.15Å; R34-E481 IonicContact NH2-OE2 2.71Å; R34-E481 PolarHBondContact NH2-OE2 3.36Å; L35-E481 PolarHBondContact N-O 3.39Å; Y431-E481 PolarHBondContact OH-OE2 3.38Å; I459-E481 HydrophobicContact CG2-CG 3.57Å; L461-E481 HydrophobicContact CD2-CB 4.05Å; L461-E481 HydrophobicContact CD2-CG 3.84Å
482	L	97.3	Very high	94.1	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113	-171	-51.8	-177.3	0	0	0	110.2	L35 L40 I459 V460 E480 I484 V514	L35-L482 HydrophobicContact CB-CD2 3.95Å; L35-L482 HydrophobicContact CD1-CD2 3.91Å; L35-L482 HydrophobicContact CG-CD2 4.11Å; L40-L482 HydrophobicContact CD1-CB 4.24Å; L40-L482 HydrophobicContact CD2-CD2 4.33Å; I459-L482 CarbonylContact C-O 3.52Å; I459-L482 WeakPolarHBondContact CA-O 3.45Å; V460-L482 PolarHBondContact N-O 3.19Å; V460-L482 PolarHBondContact O-N 3.33Å; E480-L482 HydrophobicContact CB-CD2 4.01Å; E480-L482 HydrophobicContact CB-CG 4.27Å; L482-I484 HydrophobicContact CB-CD1 3.6Å; L482-I484 PolarHBondContact O-N 2.61Å; L482-V514 HydrophobicContact CD1-CG1 4.05Å
483	Q	97.2	Very high	94.6	Very high	46 Å²	46	40.7 Å²	40.7	22%	0.215	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	99.3	171.2	-178.4	65.6	48.4	0	0	109.1	L35 H37 L40 N457 F485	L35-Q483 PolarHBondContact O-N 2.84Å; H37-Q483 WeakPolarHBondContact CA-O 3.06Å; H37-Q483 HydrophobicContact CB-CG 4.27Å; H37-Q483 WeakPolarHBondContact CB-O 3.48Å; H37-Q483 PolarHBondContact N-O 3.28Å; L40-Q483 WeakPolarHBondContact CD1-O 3.34Å; N457-Q483 PolarHBondContact O-NE2 3.21Å; N457-Q483 VanDerWaalsContact O-NE2 3.16Å; Q483-F485 WeakPolarHBondContact CG-O 3.42Å; Q483-F485 PolarHBondContact NE2-O 3.31Å
484	I	97	Very high	95.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.			trans	-75.7	-45.1	-168.6	-57.4	-50.1	0	0	0	112.1	H37 L40 G458 V460 L482 I505 A512 V514	H37-I484 PolarHBondContact CE1-O 2.86Å; H37-I484 PolarHBondContact ND1-O 3.17Å; L40-I484 HydrophobicContact CD1-CD1 4.18Å; G458-I484 WeakPolarHBondContact O-CB 3.22Å; G458-I484 PolarHBondContact O-N 3.08Å; V460-I484 HydrophobicContact CB-CD1 4.28Å; V460-I484 HydrophobicContact CB-CG1 4.14Å; V460-I484 HydrophobicContact CG2-CD1 4.32Å; V460-I484 HydrophobicContact CG2-CG1 3.77Å; L482-I484 HydrophobicContact CB-CD1 3.6Å; L482-I484 PolarHBondContact O-N 2.61Å; I484-I505 HydrophobicContact CB-CD1 4.44Å; I484-I505 HydrophobicContact CD1-CD1 4.04Å; I484-I505 HydrophobicContact CG1-CD1 3.74Å; I484-I505 HydrophobicContact CG2-CD1 3.93Å; I484-I505 HydrophobicContact CG2-CG2 4.49Å; I484-A512 HydrophobicContact CG2-CB 3.37Å; I484-V514 HydrophobicContact CD1-CG1 4.42Å; I484-V514 HydrophobicContact CD1-CG2 3.88Å; I484-V514 HydrophobicContact CG2-CG2 4.34Å
485	F	94.7	Very high	95.4	Very high	8 Å²	8	40 Å²	40	4%	0.035	21%	0.209	C	C	.	.	S	Bend	trans	-104.4	148.8	-179.1	-58.8	-69.4	0	0	0	110.7	V48 Q483 D487 V489 I491 I505 A510 A512	V48-F485 HydrophobicContact CG1-CE1 4.46Å; Q483-F485 WeakPolarHBondContact CG-O 3.42Å; Q483-F485 PolarHBondContact NE2-O 3.31Å; F485-D487 WeakPolarHBondContact CB-O 3.4Å; F485-V489 HydrophobicContact CB-CG2 3.86Å; F485-V489 HydrophobicContact CD2-CG2 3.7Å; F485-V489 HydrophobicContact CE2-CG2 4.45Å; F485-V489 HydrophobicContact CG-CG2 3.83Å; F485-I491 HydrophobicContact CE2-CG1 4.26Å; F485-I505 HydrophobicContact CE2-CG2 4.02Å; F485-I505 HydrophobicContact CZ-CG2 4.2Å; F485-A510 HydrophobicContact CD1-CB 4.13Å; F485-A510 HydrophobicContact CE1-CB 3.78Å; F485-A512 HydrophobicContact CE1-CB 3.91Å; F485-A512 HydrophobicContact CZ-CB 4.11Å
486	K	92.5	Very high	95.7	Very high	160 Å²	160	37.5 Å²	37.5	70%	0.696	20%	0.198	S	C	*	.	S	Bend	trans	-60.5	-48.4	176.6	-177.1	-174.4	171.8	-167.6	0	111.5
487	D	91.9	Very high	95.8	Very high	103 Å²	103	35.6 Å²	35.6	55%	0.551	19%	0.189	S	C	*	.	S	Bend	trans	-92.7	142.2	178.3	-57.1	-45.5	0	0	0	109.1	F485 V489	F485-D487 WeakPolarHBondContact CB-O 3.4Å; D487-V489 VanDerWaalsContact C-N 3.34Å; D487-V489 HydrophobicContact CB-CG1 4.29Å; D487-V489 PolarHBondContact O-N 3.45Å
488	P	93.1	Very high	95.8	Very high	99 Å²	99	38 Å²	38	64%	0.643	21%	0.206	S	C	*	.			trans	-71.9	89.8	-179.7	28.9	-33.7	0	0	0	110	N457	N457-P488 HydrophobicContact CB-CB 4.05Å; N457-P488 WeakPolarHBondContact O-CA 3.33Å
489	V	94.3	Very high	95.8	Very high	34 Å²	34	45.5 Å²	45.5	21%	0.206	24%	0.239	C	C	.	.			trans	-116.2	144.9	-178.8	-64.5	0	0	0	0	111.2	D456 N457 G458 F485 D487 I491	D456-V489 CarbonylContact O-C 3.53Å; N457-V489 CarbonylContact C-O 3.56Å; G458-V489 WeakPolarHBondContact CA-O 3.28Å; G458-V489 PolarHBondContact N-O 3.5Å; F485-V489 HydrophobicContact CB-CG2 3.86Å; F485-V489 HydrophobicContact CD2-CG2 3.7Å; F485-V489 HydrophobicContact CE2-CG2 4.45Å; F485-V489 HydrophobicContact CG-CG2 3.83Å; D487-V489 VanDerWaalsContact C-N 3.34Å; D487-V489 HydrophobicContact CB-CG1 4.29Å; D487-V489 PolarHBondContact O-N 3.45Å; V489-I491 PolarHBondContact O-N 2.95Å
490	P	96.6	Very high	95.6	Very high	68 Å²	68	48.5 Å²	48.5	44%	0.442	25%	0.25	S	S	.	.			trans	-61.4	136	179.2	-22.9	31.9	0	0	0	113.1	D456 I492	D456-P490 WeakPolarHBondContact O-CA 3.23Å; D456-P490 WeakPolarHBondContact O-CD 3.32Å; D456-P490 VanDerWaalsContact O-CG 3.32Å; D456-P490 WeakPolarHBondContact O-CG 3.35Å; D456-P490 VanDerWaalsContact O-N 3.13Å; P490-I492 HydrophobicContact CB-CG2 4.31Å
491	I	97.8	Very high	95.5	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.2	165.3	-64	173.3	0	0	0	107.6	Q435 T455 I459 V460 F485 V489 M494 I505	Q435-I491 HydrophobicContact CB-CG2 4.18Å; Q435-I491 HydrophobicContact CG-CG2 4.05Å; T455-I491 PolarHBondContact O-N 2.8Å; I459-I491 WeakPolarHBondContact O-CD1 3.33Å; V460-I491 HydrophobicContact CG2-CD1 3.64Å; F485-I491 HydrophobicContact CE2-CG1 4.26Å; V489-I491 PolarHBondContact O-N 2.95Å; I491-M494 HydrophobicContact CG2-CG 3.69Å; I491-M494 HydrophobicContact CG2-SD 3.94Å; I491-I505 HydrophobicContact CB-CG2 4.35Å; I491-I505 HydrophobicContact CD1-CG2 3.84Å; I491-I505 HydrophobicContact CG1-CG2 3.81Å; I491-I505 HydrophobicContact CG2-CG2 3.65Å
492	I	95.9	Very high	95.5	Very high	73 Å²	73	50.2 Å²	50.2	37%	0.374	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	-13	-174.5	63.5	173.1	0	0	0	113.4	L58 P490 G506	L58-I492 HydrophobicContact CB-CD1 4.04Å; L58-I492 HydrophobicContact CD2-CD1 4.15Å; L58-I492 HydrophobicContact CD2-CG1 4.22Å; L58-I492 HydrophobicContact CG-CD1 4.13Å; L58-I492 WeakPolarHBondContact O-CD1 3.3Å; P490-I492 HydrophobicContact CB-CG2 4.31Å; I492-G506 WeakPolarHBondContact CG1-O 3.46Å; I492-G506 PolarHBondContact N-O 3.11Å
493	S	96.2	Very high	95.5	Very high	19 Å²	19	50.2 Å²	50.2	13%	0.133	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	139.9	179	-170.7	0	0	0	0	109.7	G506	S493-G506 PolarHBondContact N-O 3.43Å; S493-G506 PolarHBondContact O-N 2.88Å
494	M	97.8	Very high	95.6	Very high	14 Å²	14	48 Å²	48	7%	0.069	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	123	172.8	-73.9	173.6	64.1	0	0	110.2	Q435 A437 F452 G454 V460 I491 L503 Y504 I505	Q435-M494 HydrophobicContact CB-CB 4.27Å; Q435-M494 HydrophobicContact CB-CG 3.8Å; Q435-M494 HydrophobicContact CB-SD 3.35Å; Q435-M494 WeakPolarHBondContact CB-SD 3.13Å; Q435-M494 HydrophobicContact CG-CG 4.42Å; Q435-M494 HydrophobicContact CG-SD 4.48Å; A437-M494 HydrophobicContact CB-CE 4.24Å; F452-M494 HydrophobicContact CB-CE 3.87Å; F452-M494 WeakPolarHBondContact O-CE 3.35Å; G454-M494 PolarHBondContact N-SD 3.44Å; G454-M494 VanDerWaalsContact N-SD 3.45Å; V460-M494 HydrophobicContact CG2-CE 4.48Å; I491-M494 HydrophobicContact CG2-CG 3.69Å; I491-M494 HydrophobicContact CG2-SD 3.94Å; M494-L503 HydrophobicContact CB-CD1 4.44Å; M494-L503 HydrophobicContact CE-CD1 3.91Å; M494-L503 HydrophobicContact CE-CD2 3.73Å; M494-L503 HydrophobicContact CE-CG 4.34Å; M494-Y504 WeakPolarHBondContact CA-O 3.34Å; M494-I505 HydrophobicContact CG-CG2 4.49Å
495	E	97.6	Very high	95.6	Very high	62 Å²	62	48 Å²	48	29%	0.29	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.1	175.9	-70.8	-64.4	163.4	0	0	110	M61 L63 Y504	M61-E495 HydrophobicContact CB-CG 4.09Å; M61-E495 HydrophobicContact CE-CG 4.36Å; L63-E495 HydrophobicContact CB-CB 4.2Å; L63-E495 HydrophobicContact CB-CG 4.43Å; E495-Y504 PolarHBondContact N-O 3.39Å; E495-Y504 PolarHBondContact O-N 2.89Å
496	I	97.8	Very high	95.8	Very high	25 Å²	25	47.6 Å²	47.6	13%	0.128	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.7	-172.2	-170.3	169.8	0	0	0	111.9	L63 F313 A437 D439 F452 L503 F516	L63-I496 WeakPolarHBondContact CD2-O 3.49Å; F313-I496 HydrophobicContact CE2-CG2 3.63Å; F313-I496 HydrophobicContact CZ-CG2 3.7Å; A437-I496 HydrophobicContact CB-CB 4.09Å; A437-I496 HydrophobicContact CB-CD1 4.12Å; A437-I496 HydrophobicContact CB-CG2 4.28Å; D439-I496 HydrophobicContact CB-CD1 4Å; F452-I496 HydrophobicContact CD2-CD1 4.2Å; F452-I496 HydrophobicContact CE2-CD1 4.33Å; I496-L503 HydrophobicContact CB-CD1 4.32Å; I496-F516 HydrophobicContact CD1-CE1 4Å; I496-F516 HydrophobicContact CD1-CE2 4.46Å; I496-F516 HydrophobicContact CD1-CZ 3.61Å; I496-F516 HydrophobicContact CG1-CE1 3.76Å; I496-F516 HydrophobicContact CG1-CZ 3.4Å; I496-F516 VanDerWaalsContact CG1-CZ 3.4Å
497	S	97	Very high	96	Very high	1 Å²	1	40 Å²	40	1%	0.007	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	98	169.6	175.5	0	0	0	0	109.4	E65 K499 R500 Q501 Q502	E65-S497 WeakPolarHBondContact OE1-CB 3.31Å; E65-S497 PolarHBondContact OE1-OG 3.2Å; S497-K499 PolarHBondContact O-N 3.45Å; S497-R500 PolarHBondContact O-N 3.2Å; S497-R500 VanDerWaalsContact OG-CB 3.29Å; S497-R500 WeakPolarHBondContact OG-CB 3.38Å; S497-R500 WeakPolarHBondContact OG-CG 3.29Å; S497-R500 PolarHBondContact OG-N 2.78Å; S497-Q501 VanDerWaalsContact O-CA 3.23Å; S497-Q501 WeakPolarHBondContact O-CA 2.87Å; S497-Q501 PolarHBondContact O-N 2.89Å; S497-Q502 PolarHBondContact N-O 3.07Å; S497-Q502 PolarHBondContact O-N 3.06Å; S497-Q502 VanDerWaalsContact O-N 3.12Å
498	S	94.5	Very high	96	Very high	59 Å²	59	37.1 Å²	37.1	41%	0.413	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.9	172.9	-56.8	0	0	0	0	111.9	D439 Q501	D439-S498 VanDerWaalsContact OD1-CB 3.26Å; D439-S498 WeakPolarHBondContact OD1-CB 3.35Å; D439-S498 PolarHBondContact OD1-OG 3.03Å; S498-Q501 VanDerWaalsContact O-CG 3.31Å; S498-Q501 WeakPolarHBondContact O-CG 3.38Å; S498-Q501 PolarHBondContact O-N 3.22Å
499	K	93.1	Very high	96	Very high	157 Å²	157	34.3 Å²	34.3	68%	0.683	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-44.5	177.2	-178.5	-175.6	172.9	-170.5	0	111.9	S497	S497-K499 PolarHBondContact O-N 3.45Å
500	R	93.4	Very high	96	Very high	65 Å²	65	32.7 Å²	32.7	25%	0.245	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-12.6	177.5	-63.3	-178.3	169.6	-97.1	-8.7	112.8	E68 S497 Q502	E68-R500 VanDerWaalsContact CG-NH2 3.27Å; E68-R500 IonicContact OE1-NH2 3.98Å; E68-R500 PolarHBondContact OE1-NH2 2.89Å; E68-R500 IonicContact OE2-NH2 3.53Å; E68-R500 PolarHBondContact OE2-NH2 2.73Å; S497-R500 PolarHBondContact O-N 3.2Å; S497-R500 VanDerWaalsContact OG-CB 3.29Å; S497-R500 WeakPolarHBondContact OG-CB 3.38Å; S497-R500 WeakPolarHBondContact OG-CG 3.29Å; S497-R500 PolarHBondContact OG-N 2.78Å; R500-Q502 HydrophobicContact CB-CB 4.39Å; R500-Q502 HydrophobicContact CB-CG 4.27Å
501	Q	93.9	Very high	96.1	Very high	25 Å²	25	29.4 Å²	29.4	12%	0.117	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	51.7	-169.3	-67.7	-155.4	-25.9	0	0	113.7	S497 S498 F516 H517 R546	S497-Q501 VanDerWaalsContact O-CA 3.23Å; S497-Q501 WeakPolarHBondContact O-CA 2.87Å; S497-Q501 PolarHBondContact O-N 2.89Å; S498-Q501 VanDerWaalsContact O-CG 3.31Å; S498-Q501 WeakPolarHBondContact O-CG 3.38Å; S498-Q501 PolarHBondContact O-N 3.22Å; Q501-F516 HydrophobicContact CB-CB 4.32Å; Q501-F516 HydrophobicContact CB-CD2 3.59Å; Q501-F516 HydrophobicContact CB-CE2 4.01Å; Q501-F516 HydrophobicContact CB-CG 3.95Å; Q501-F516 HydrophobicContact CG-CD2 3.74Å; Q501-F516 HydrophobicContact CG-CE2 4.01Å; Q501-F516 PolarHBondContact O-N 2.92Å; Q501-F516 VanDerWaalsContact O-N 3.17Å; Q501-H517 PolarHBondContact OE1-CD2 3.14Å; Q501-H517 PolarHBondContact OE1-NE2 2.78Å; Q501-R546 VanDerWaalsContact CD-CZ 3.48Å
502	Q	96.1	Very high	96	Very high	31 Å²	31	29.3 Å²	29.3	15%	0.145	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145.5	-178.4	-68.8	179.7	-2.8	0	0	110.6	L83 S497 R500 Y504 Q513 V514 F516	L83-Q502 PolarHBondContact O-OE1 2.94Å; S497-Q502 PolarHBondContact N-O 3.07Å; S497-Q502 PolarHBondContact O-N 3.06Å; S497-Q502 VanDerWaalsContact O-N 3.12Å; R500-Q502 HydrophobicContact CB-CB 4.39Å; R500-Q502 HydrophobicContact CB-CG 4.27Å; Q502-Y504 HydrophobicContact CB-CE2 4.28Å; Q502-Y504 PolarHBondContact OE1-OH 3.45Å; Q502-Q513 VanDerWaalsContact CD-NE2 3.34Å; Q502-V514 CarbonylContact C-O 3.22Å; Q502-V514 WeakPolarHBondContact CA-O 3.22Å; Q502-F516 WeakPolarHBondContact O-CE1 3.46Å
503	L	97.9	Very high	96.1	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.016	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.7	173.6	-176.4	71.7	0	0	0	108.1	A437 F452 V460 M494 I496 I505 Q513 V514 F516	A437-L503 HydrophobicContact CB-CD1 3.97Å; F452-L503 HydrophobicContact CB-CD2 4.15Å; F452-L503 HydrophobicContact CD1-CD2 4.35Å; F452-L503 HydrophobicContact CG-CD2 4.39Å; V460-L503 HydrophobicContact CG1-CD2 4.22Å; V460-L503 HydrophobicContact CG2-CD2 4.45Å; M494-L503 HydrophobicContact CB-CD1 4.44Å; M494-L503 HydrophobicContact CE-CD1 3.91Å; M494-L503 HydrophobicContact CE-CD2 3.73Å; M494-L503 HydrophobicContact CE-CG 4.34Å; I496-L503 HydrophobicContact CB-CD1 4.32Å; L503-I505 HydrophobicContact CD2-CD1 3.64Å; L503-I505 HydrophobicContact CD2-CG1 3.7Å; L503-I505 HydrophobicContact CG-CD1 4.16Å; L503-I505 HydrophobicContact CG-CG1 3.73Å; L503-Q513 CarbonylContact O-C 3.6Å; L503-Q513 WeakPolarHBondContact O-CA 3.36Å; L503-V514 PolarHBondContact N-O 2.96Å; L503-V514 PolarHBondContact O-N 3.17Å; L503-F516 HydrophobicContact CB-CE1 4.29Å
504	Y	98.4	Very high	96.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.5	174.4	-52.9	-84.9	0	0	0	108.5	L63 L70 L83 I86 M494 E495 Q502 A512 Q513	L63-Y504 HydrophobicContact CD1-CD2 3.88Å; L63-Y504 HydrophobicContact CD1-CE2 3.53Å; L63-Y504 HydrophobicContact CD2-CD2 4.4Å; L63-Y504 HydrophobicContact CD2-CE2 4.32Å; L70-Y504 HydrophobicContact CD2-CD1 3.79Å; L70-Y504 HydrophobicContact CD2-CG 3.99Å; L83-Y504 HydrophobicContact CD2-CE1 3.75Å; L83-Y504 HydrophobicContact CD2-CE2 4.1Å; L83-Y504 WeakPolarHBondContact CD2-OH 2.99Å; I86-Y504 HydrophobicContact CG2-CD1 4.11Å; I86-Y504 HydrophobicContact CG2-CE1 4.05Å; M494-Y504 WeakPolarHBondContact CA-O 3.34Å; E495-Y504 PolarHBondContact N-O 3.39Å; E495-Y504 PolarHBondContact O-N 2.89Å; Q502-Y504 HydrophobicContact CB-CE2 4.28Å; Q502-Y504 PolarHBondContact OE1-OH 3.45Å; Y504-A512 CarbonylContact C-O 3.48Å; Y504-A512 VanDerWaalsContact CA-O 3.29Å; Y504-A512 WeakPolarHBondContact CA-O 3.2Å; Y504-Q513 HydrophobicContact CD1-CB 4.1Å; Y504-Q513 HydrophobicContact CD1-CG 4.13Å; Y504-Q513 HydrophobicContact CE1-CB 4.2Å; Y504-Q513 HydrophobicContact CE1-CG 3.76Å
505	I	98.3	Very high	96	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.2	-166.6	-55	169.3	0	0	0	108.4	V460 I484 F485 I491 M494 L503 V511 A512 V514	V460-I505 HydrophobicContact CG2-CD1 3.61Å; I484-I505 HydrophobicContact CB-CD1 4.44Å; I484-I505 HydrophobicContact CD1-CD1 4.04Å; I484-I505 HydrophobicContact CG1-CD1 3.74Å; I484-I505 HydrophobicContact CG2-CD1 3.93Å; I484-I505 HydrophobicContact CG2-CG2 4.49Å; F485-I505 HydrophobicContact CE2-CG2 4.02Å; F485-I505 HydrophobicContact CZ-CG2 4.2Å; I491-I505 HydrophobicContact CB-CG2 4.35Å; I491-I505 HydrophobicContact CD1-CG2 3.84Å; I491-I505 HydrophobicContact CG1-CG2 3.81Å; I491-I505 HydrophobicContact CG2-CG2 3.65Å; M494-I505 HydrophobicContact CG-CG2 4.49Å; L503-I505 HydrophobicContact CD2-CD1 3.64Å; L503-I505 HydrophobicContact CD2-CG1 3.7Å; L503-I505 HydrophobicContact CG-CD1 4.16Å; L503-I505 HydrophobicContact CG-CG1 3.73Å; I505-V511 CarbonylContact O-C 3.51Å; I505-V511 VanDerWaalsContact O-CA 3.3Å; I505-V511 WeakPolarHBondContact O-CA 3.33Å; I505-A512 HydrophobicContact CB-CB 4.41Å; I505-A512 PolarHBondContact N-O 3.25Å; I505-A512 PolarHBondContact O-N 2.66Å; I505-V514 HydrophobicContact CD1-CB 4.35Å; I505-V514 HydrophobicContact CD1-CG2 3.66Å
506	G	97.4	Very high	95.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.4	178.8	0	0	0	0	0	112.8	I492 S493	I492-G506 WeakPolarHBondContact CG1-O 3.46Å; I492-G506 PolarHBondContact N-O 3.11Å; S493-G506 PolarHBondContact N-O 3.43Å; S493-G506 PolarHBondContact O-N 2.88Å
507	S	96.2	Very high	95.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	168	160.8	67.2	0	0	0	0	109.2	L58 S509 A510	L58-S507 WeakPolarHBondContact CB-O 3.36Å; L58-S507 WeakPolarHBondContact CD2-O 3.46Å; S507-S509 PolarHBondContact O-N 2.8Å; S507-S509 VanDerWaalsContact O-N 3.08Å; S507-A510 PolarHBondContact N-O 2.82Å; S507-A510 PolarHBondContact O-N 2.76Å; S507-A510 PolarHBondContact OG-N 2.79Å; S507-A510 VanDerWaalsContact OG-N 3.11Å; S507-A510 PolarHBondContact OG-O 3.03Å
508	A	93.7	Very high	95.3	Very high	42 Å²	42	28.1 Å²	28.1	35%	0.347	14%	0.139	S	C	.	.	S	Bend	trans	-55.1	-29.4	177.7	0	0	0	0	0	113.4	D57 L58	D57-A508 VanDerWaalsContact CA-O 3.27Å; D57-A508 WeakPolarHBondContact CA-O 3.45Å; D57-A508 PolarHBondContact N-O 3.17Å; L58-A508 PolarHBondContact N-O 2.66Å
509	S	92.3	Very high	95.3	Very high	40 Å²	40	25.5 Å²	25.5	28%	0.28	12%	0.121	S	C	.	.	S	Bend	trans	-105.7	-19.6	-174.3	58.6	0	0	0	0	115	S507	S507-S509 PolarHBondContact O-N 2.8Å; S507-S509 VanDerWaalsContact O-N 3.08Å
510	A	94.6	Very high	95.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	157.6	-171	0	0	0	0	0	113.4	V48 F49 F485 S507	V48-A510 HydrophobicContact CG1-CB 3.92Å; F49-A510 WeakPolarHBondContact O-CA 3.45Å; F485-A510 HydrophobicContact CD1-CB 4.13Å; F485-A510 HydrophobicContact CE1-CB 3.78Å; S507-A510 PolarHBondContact N-O 2.82Å; S507-A510 PolarHBondContact O-N 2.76Å; S507-A510 PolarHBondContact OG-N 2.79Å; S507-A510 VanDerWaalsContact OG-N 3.11Å; S507-A510 PolarHBondContact OG-O 3.03Å
511	V	97.4	Very high	95.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.5	170.2	-179.6	0	0	0	0	109	V48 F49 L56 L58 M61 L70 V72 L81 I86 I505	V48-V511 CarbonylContact C-O 3.45Å; V48-V511 WeakPolarHBondContact CA-O 3.45Å; F49-V511 PolarHBondContact N-O 3.48Å; F49-V511 PolarHBondContact O-N 2.89Å; L56-V511 HydrophobicContact CD2-CG2 3.76Å; L58-V511 HydrophobicContact CD2-CG2 4.31Å; M61-V511 HydrophobicContact CE-CG1 3.94Å; L70-V511 HydrophobicContact CD2-CG1 3.83Å; V72-V511 HydrophobicContact CG1-CG2 3.99Å; V72-V511 HydrophobicContact CG2-CG2 4.27Å; L81-V511 HydrophobicContact CD1-CB 4.5Å; I86-V511 HydrophobicContact CD1-CB 4.42Å; I86-V511 HydrophobicContact CD1-CG1 4.05Å; I86-V511 WeakPolarHBondContact CD1-O 3.42Å; I505-V511 CarbonylContact O-C 3.51Å; I505-V511 VanDerWaalsContact O-CA 3.3Å; I505-V511 WeakPolarHBondContact O-CA 3.33Å
512	A	97.4	Very high	94.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	147.9	176.7	0	0	0	0	0	111.5	S47 V48 I484 F485 Y504 I505 V514	S47-A512 CarbonylContact O-C 3.23Å; S47-A512 VanDerWaalsContact O-CA 3.32Å; S47-A512 WeakPolarHBondContact O-CA 3.44Å; V48-A512 HydrophobicContact CG2-CB 4.12Å; I484-A512 HydrophobicContact CG2-CB 3.37Å; F485-A512 HydrophobicContact CE1-CB 3.91Å; F485-A512 HydrophobicContact CZ-CB 4.11Å; Y504-A512 CarbonylContact C-O 3.48Å; Y504-A512 VanDerWaalsContact CA-O 3.29Å; Y504-A512 WeakPolarHBondContact CA-O 3.2Å; I505-A512 HydrophobicContact CB-CB 4.41Å; I505-A512 PolarHBondContact N-O 3.25Å; I505-A512 PolarHBondContact O-N 2.66Å; A512-V514 HydrophobicContact CB-CG2 4.49Å
513	Q	97.6	Very high	94.3	Very high	12 Å²	12	21.5 Å²	21.5	6%	0.056	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.2	174	172.8	-172	19.8	0	0	107.8	T46 S47 L83 E84 I86 Q502 L503 Y504	T46-Q513 CarbonylContact C-O 3.55Å; T46-Q513 VanDerWaalsContact CA-O 3.24Å; T46-Q513 WeakPolarHBondContact CA-O 3.13Å; T46-Q513 PolarHBondContact OG1-O 3.05Å; S47-Q513 PolarHBondContact N-O 3.4Å; S47-Q513 PolarHBondContact O-N 2.95Å; L83-Q513 PolarHBondContact O-NE2 3.27Å; E84-Q513 PolarHBondContact O-NE2 3.39Å; I86-Q513 HydrophobicContact CB-CB 4.48Å; I86-Q513 HydrophobicContact CD1-CB 3.71Å; I86-Q513 HydrophobicContact CG1-CB 3.75Å; I86-Q513 HydrophobicContact CG2-CB 3.96Å; I86-Q513 HydrophobicContact CG2-CG 4.42Å; I86-Q513 VanDerWaalsContact N-OE1 3.15Å; Q502-Q513 VanDerWaalsContact CD-NE2 3.34Å; L503-Q513 CarbonylContact O-C 3.6Å; L503-Q513 WeakPolarHBondContact O-CA 3.36Å; Y504-Q513 HydrophobicContact CD1-CB 4.1Å; Y504-Q513 HydrophobicContact CD1-CG 4.13Å; Y504-Q513 HydrophobicContact CE1-CB 4.2Å; Y504-Q513 HydrophobicContact CE1-CG 3.76Å
514	V	96.4	Very high	93.6	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.024	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.7	-172.1	-172.6	0	0	0	0	110.1	L482 I484 Q502 L503 I505 A512	L482-V514 HydrophobicContact CD1-CG1 4.05Å; I484-V514 HydrophobicContact CD1-CG1 4.42Å; I484-V514 HydrophobicContact CD1-CG2 3.88Å; I484-V514 HydrophobicContact CG2-CG2 4.34Å; Q502-V514 CarbonylContact C-O 3.22Å; Q502-V514 WeakPolarHBondContact CA-O 3.22Å; L503-V514 PolarHBondContact N-O 2.96Å; L503-V514 PolarHBondContact O-N 3.17Å; I505-V514 HydrophobicContact CD1-CB 4.35Å; I505-V514 HydrophobicContact CD1-CG2 3.66Å; A512-V514 HydrophobicContact CB-CG2 4.49Å
515	R	94.1	Very high	93	Very high	123 Å²	123	25 Å²	25	46%	0.464	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	150.5	175.7	-62.9	-176	-177	177.4	1.9	111.3	H517	R515-H517 VanDerWaalsContact C-N 3.33Å; R515-H517 PolarHBondContact O-N 2.62Å
516	F	94	Very high	92.4	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	15%	0.145	C	C	.	.	S	Bend	trans	-66.1	-30.3	178.3	-73.2	-0.7	0	0	0	114.8	D439 F452 K462 I496 Q501 Q502 L503 Y536	D439-F516 HydrophobicContact CB-CE2 4.15Å; D439-F516 WeakPolarHBondContact OD2-CE2 3.49Å; F452-F516 HydrophobicContact CE1-CD1 4.32Å; F452-F516 HydrophobicContact CE2-CD1 4.14Å; F452-F516 HydrophobicContact CE2-CE1 4.28Å; F452-F516 HydrophobicContact CE2-CG 4.34Å; F452-F516 HydrophobicContact CZ-CB 3.98Å; F452-F516 AromaticContact CZ-CD1 3.74Å; F452-F516 HydrophobicContact CZ-CD1 3.74Å; F452-F516 HydrophobicContact CZ-CD2 4.4Å; F452-F516 HydrophobicContact CZ-CE1 4.33Å; F452-F516 AromaticContact CZ-CG 3.8Å; F452-F516 HydrophobicContact CZ-CG 3.8Å; K462-F516 WeakPolarHBondContact CE-O 3.44Å; K462-F516 PolarHBondContact NZ-O 3.17Å; I496-F516 HydrophobicContact CD1-CE1 4Å; I496-F516 HydrophobicContact CD1-CE2 4.46Å; I496-F516 HydrophobicContact CD1-CZ 3.61Å; I496-F516 HydrophobicContact CG1-CE1 3.76Å; I496-F516 HydrophobicContact CG1-CZ 3.4Å; I496-F516 VanDerWaalsContact CG1-CZ 3.4Å; Q501-F516 HydrophobicContact CB-CB 4.32Å; Q501-F516 HydrophobicContact CB-CD2 3.59Å; Q501-F516 HydrophobicContact CB-CE2 4.01Å; Q501-F516 HydrophobicContact CB-CG 3.95Å; Q501-F516 HydrophobicContact CG-CD2 3.74Å; Q501-F516 HydrophobicContact CG-CE2 4.01Å; Q501-F516 PolarHBondContact O-N 2.92Å; Q501-F516 VanDerWaalsContact O-N 3.17Å; Q502-F516 WeakPolarHBondContact O-CE1 3.46Å; L503-F516 HydrophobicContact CB-CE1 4.29Å; F516-Y536 HydrophobicContact CB-CE1 4.48Å; F516-Y536 HydrophobicContact CB-CE2 4.15Å; F516-Y536 AromaticContact CD2-CE1 3.91Å; F516-Y536 HydrophobicContact CD2-CE1 3.91Å; F516-Y536 HydrophobicContact CD2-CE2 4.48Å; F516-Y536 AromaticContact CD2-CZ 3.66Å; F516-Y536 WeakPolarHBondContact CD2-OH 3.21Å
517	H	92.4	Very high	92	Very high	29 Å²	29	26 Å²	26	13%	0.134	15%	0.149	C	C	.	.			trans	-141.1	151.6	-171.6	62.6	80.4	0	0	0	112.9	Q501 R515 Y536 R546	Q501-H517 PolarHBondContact OE1-CD2 3.14Å; Q501-H517 PolarHBondContact OE1-NE2 2.78Å; R515-H517 VanDerWaalsContact C-N 3.33Å; R515-H517 PolarHBondContact O-N 2.62Å; H517-Y536 HydrophobicContact CB-CD2 4.32Å; H517-Y536 HydrophobicContact CB-CG 4.17Å; H517-R546 PolarHBondContact NE2-NH1 2.84Å
518	H	93.2	Very high	91.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.153	C	C	.	.			trans	-128.8	44.4	179.7	-59.7	98.3	0	0	0	109.7	L33 R45 E480 D520 M521	L33-H518 HydrophobicContact CD2-CB 4.33Å; R45-H518 WeakPolarHBondContact CB-NE2 3.09Å; R45-H518 VanDerWaalsContact CG-CD2 3.46Å; R45-H518 WeakPolarHBondContact CG-CD2 3.45Å; E480-H518 IonicContact OE1-ND1 2.73Å; E480-H518 IonicContact OE2-CE1 3.92Å; E480-H518 IonicContact OE2-CG 2.66Å; E480-H518 IonicContact OE2-ND1 3.26Å; E480-H518 PolarHBondContact OE2-ND1 3.16Å; H518-D520 PolarHBondContact O-N 2.96Å; H518-M521 HydrophobicContact CB-CB 4.23Å; H518-M521 HydrophobicContact CB-CG 3.88Å; H518-M521 WeakPolarHBondContact O-CA 3.46Å; H518-M521 WeakPolarHBondContact O-CB 3.45Å; H518-M521 PolarHBondContact O-N 2.83Å
519	C	93.8	Very high	91.5	Very high	3 Å²	3	25 Å²	25	2%	0.02	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-52.3	-37.3	-168.2	-57.4	0	0	0	0	113.9	M521 Y522 Y536 C537 C544	C519-M521 PolarHBondContact O-N 3.38Å; C519-Y522 PolarHBondContact O-N 3.39Å; C519-Y522 VanDerWaalsContact O-N 3.15Å; C519-Y536 PolarHBondContact SG-O 2.77Å; C519-C537 WeakPolarHBondContact CA-SG 3.43Å; C519-C537 HydrophobicContact CB-CB 3.68Å; C519-C537 WeakPolarHBondContact CB-SG 3.43Å; C519-C537 WeakPolarHBondContact SG-CA 3.48Å; C519-C537 WeakPolarHBondContact SG-CB 3.16Å; C519-C537 CovalentContact SG-SG 2.03Å; C519-C537 PolarHBondContact SG-SG 3.01Å; C519-C544 CarbonylContact C-O 3.57Å; C519-C544 VanDerWaalsContact O-CB 3.32Å; C519-C544 WeakPolarHBondContact O-CB 3.33Å
520	D	91.1	Very high	91.5	Very high	86 Å²	86	23.1 Å²	23.1	46%	0.46	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-64.7	-21.4	179.2	59.1	-62.5	0	0	0	113.6	R45 H518	R45-D520 IonicContact CZ-OD1 3.66Å; R45-D520 IonicContact CZ-OD2 3.38Å; R45-D520 IonicContact NH1-OD1 3.85Å; R45-D520 PolarHBondContact NH1-OD1 3.39Å; R45-D520 IonicContact NH1-OD2 2.73Å; R45-D520 VanDerWaalsContact NH2-CG 3.28Å; R45-D520 IonicContact NH2-OD1 2.78Å; R45-D520 PolarHBondContact NH2-OD1 3.12Å; R45-D520 VanDerWaalsContact NH2-OD1 3.09Å; R45-D520 IonicContact NH2-OD2 3.49Å; R45-D520 PolarHBondContact NH2-OD2 2.79Å; H518-D520 PolarHBondContact O-N 2.96Å
521	M	90.6	Very high	91.4	Very high	68 Å²	68	23.3 Å²	23.3	34%	0.335	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-76.4	-20.6	176.3	-60.8	-59.5	-61.4	0	0	113.3	L33 L35 L43 H518 C519 G523	L33-M521 HydrophobicContact CD2-CB 3.93Å; L35-M521 HydrophobicContact CD2-CE 4.44Å; L43-M521 HydrophobicContact CD1-CE 3.71Å; L43-M521 HydrophobicContact CD1-SD 3.83Å; L43-M521 HydrophobicContact CD2-SD 4.44Å; H518-M521 HydrophobicContact CB-CB 4.23Å; H518-M521 HydrophobicContact CB-CG 3.88Å; H518-M521 WeakPolarHBondContact O-CA 3.46Å; H518-M521 WeakPolarHBondContact O-CB 3.45Å; H518-M521 PolarHBondContact O-N 2.83Å; C519-M521 PolarHBondContact O-N 3.38Å; M521-G523 PolarHBondContact O-N 3.1Å
522	Y	89.4	Confident	91.2	Very high	17 Å²	17	23.4 Å²	23.4	7%	0.067	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-70.3	-24.6	176.9	-64.1	-55.9	0	0	0	112.1	R32 L33 E480 C519 D528 A532 D534 C537	R32-Y522 HydrophobicContact CG-CD1 4.48Å; R32-Y522 HydrophobicContact CG-CE1 4.2Å; L33-Y522 HydrophobicContact CB-CE1 4.27Å; E480-Y522 PolarHBondContact OE1-OH 2.74Å; C519-Y522 PolarHBondContact O-N 3.39Å; C519-Y522 VanDerWaalsContact O-N 3.15Å; Y522-D528 VanDerWaalsContact O-CB 3.28Å; Y522-D528 WeakPolarHBondContact O-CB 3.18Å; Y522-A532 HydrophobicContact CD1-CB 3.52Å; Y522-A532 HydrophobicContact CD2-CB 3.65Å; Y522-A532 HydrophobicContact CE1-CB 3.77Å; Y522-A532 HydrophobicContact CE2-CB 3.9Å; Y522-A532 HydrophobicContact CG-CB 3.47Å; Y522-A532 VanDerWaalsContact CG-CB 3.47Å; Y522-D534 HydrophobicContact CE2-CB 3.77Å; Y522-D534 WeakPolarHBondContact CE2-OD2 3.34Å; Y522-D534 PolarHBondContact OH-OD2 3.31Å; Y522-C537 HydrophobicContact CD2-CB 4.32Å; Y522-C537 HydrophobicContact CE2-CB 4.28Å
523	G	83.7	Confident	91.1	Very high	23 Å²	23	23.8 Å²	23.8	24%	0.237	13%	0.128	C	C	.	.			trans	124.9	-178.9	171.4	0	0	0	0	0	114.7	M521 C544	M521-G523 PolarHBondContact O-N 3.1Å; G523-C544 VanDerWaalsContact O-CB 3.31Å; G523-C544 WeakPolarHBondContact O-CB 3.24Å; G523-C544 PolarHBondContact O-N 3.47Å; G523-C544 VanDerWaalsContact O-N 3.11Å
524	S	83.4	Confident	91	Very high	70 Å²	70	23.2 Å²	23.2	49%	0.49	13%	0.126	S	C	.	.	S	Bend	trans	-102.7	14.9	-176.5	59.4	0	0	0	0	113.5	W539	S524-W539 VanDerWaalsContact C-CZ3 3.41Å; S524-W539 WeakPolarHBondContact O-CH2 3.5Å; S524-W539 VanDerWaalsContact O-CZ3 3.25Å; S524-W539 WeakPolarHBondContact O-CZ3 3.42Å
525	A	85.1	Confident	91	Very high	7 Å²	7	23 Å²	23	6%	0.058	13%	0.125	C	C	.	.	S	Bend	trans	-109.9	143.3	174.9	0	0	0	0	0	111.4	A527 D528 C529 L582	A525-A527 PolarHBondContact O-N 3.43Å; A525-D528 HydrophobicContact CB-CB 4.26Å; A525-D528 WeakPolarHBondContact CB-OD2 3.22Å; A525-D528 PolarHBondContact O-N 2.82Å; A525-C529 PolarHBondContact O-N 2.71Å; A525-L582 HydrophobicContact CB-CD1 3.47Å; A525-L582 VanDerWaalsContact CB-CD1 3.47Å
526	C	87.6	Confident	91.1	Very high	10 Å²	10	17.4 Å²	17.4	7%	0.068	10%	0.104	C	C	.	.	H	α-helix	trans	-54.2	-43.5	174.4	177.5	0	0	0	0	111.8	C529 C530 W539 C572	C526-C529 PolarHBondContact O-N 3.34Å; C526-C530 PolarHBondContact O-N 2.76Å; C526-C530 PolarHBondContact O-SG 2.97Å; C526-C530 VanDerWaalsContact O-SG 3.33Å; C526-W539 VanDerWaalsContact CA-CD2 3.5Å; C526-W539 HydrophobicContact CB-CD2 3.79Å; C526-W539 HydrophobicContact CB-CE3 4.36Å; C526-W539 HydrophobicContact CB-CG 3.9Å; C526-W539 HydrophobicContact CB-CZ2 4.27Å; C526-C572 HydrophobicContact CB-CB 3.75Å; C526-C572 WeakPolarHBondContact CB-SG 3Å; C526-C572 PolarHBondContact O-SG 2.92Å; C526-C572 VanDerWaalsContact O-SG 3.39Å; C526-C572 VanDerWaalsContact SG-CA 3.58Å; C526-C572 WeakPolarHBondContact SG-CB 3.44Å; C526-C572 CovalentContact SG-SG 2.04Å; C526-C572 PolarHBondContact SG-SG 3.15Å
527	A	88.4	Confident	91.1	Very high	11 Å²	11	17.5 Å²	17.5	9%	0.091	10%	0.104	C	C	.	.	H	α-helix	trans	-64.2	-45	-178.4	0	0	0	0	0	112.2	A525 C529 C530 L531 A568 C572 F661	A525-A527 PolarHBondContact O-N 3.43Å; A527-C529 PolarHBondContact O-N 2.9Å; A527-C530 PolarHBondContact O-N 2.79Å; A527-L531 WeakPolarHBondContact O-CB 3.43Å; A527-L531 VanDerWaalsContact O-CG 3.27Å; A527-L531 WeakPolarHBondContact O-CG 3.29Å; A527-L531 PolarHBondContact O-N 2.87Å; A527-A568 HydrophobicContact CB-CB 3.88Å; A527-C572 PolarHBondContact N-SG 2.71Å; A527-C572 VanDerWaalsContact N-SG 3.43Å; A527-F661 HydrophobicContact CB-CD1 4.21Å; A527-F661 HydrophobicContact CB-CD2 4.43Å; A527-F661 HydrophobicContact CB-CE1 3.51Å; A527-F661 HydrophobicContact CB-CE2 3.78Å; A527-F661 HydrophobicContact CB-CZ 3.27Å
528	D	87.9	Confident	91.2	Very high	16 Å²	16	16.3 Å²	16.3	9%	0.086	10%	0.099	C	C	.	.	H	α-helix	trans	-60	-38.2	179.9	-66.5	-27.4	0	0	0	111.7	R32 Y522 A525 A532 R605	R32-D528 PolarHBondContact NH2-O 2.7Å; R32-D528 VanDerWaalsContact NH2-O 3.1Å; Y522-D528 VanDerWaalsContact O-CB 3.28Å; Y522-D528 WeakPolarHBondContact O-CB 3.18Å; A525-D528 HydrophobicContact CB-CB 4.26Å; A525-D528 WeakPolarHBondContact CB-OD2 3.22Å; A525-D528 PolarHBondContact O-N 2.82Å; D528-A532 PolarHBondContact O-N 3.34Å; D528-R605 IonicContact OD2-CZ 3.54Å; D528-R605 IonicContact OD2-NH1 3.86Å; D528-R605 PolarHBondContact OD2-NH1 2.76Å
529	C	91.5	Very high	91.1	Very high	4 Å²	4	17.1 Å²	17.1	3%	0.027	10%	0.102	C	C	.	.	H	α-helix	trans	-71.2	-42.9	177.8	-162.2	0	0	0	0	113.1	A525 C526 A527 A532 W539 C544	A525-C529 PolarHBondContact O-N 2.71Å; C526-C529 PolarHBondContact O-N 3.34Å; A527-C529 PolarHBondContact O-N 2.9Å; C529-A532 VanDerWaalsContact O-CB 3.31Å; C529-A532 WeakPolarHBondContact O-CB 3.24Å; C529-A532 PolarHBondContact O-N 3.02Å; C529-W539 HydrophobicContact CB-CB 4.27Å; C529-W539 HydrophobicContact CB-CE3 4.41Å; C529-W539 PolarHBondContact SG-N 3.43Å; C529-C544 VanDerWaalsContact CA-SG 3.5Å; C529-C544 HydrophobicContact CB-CB 3.46Å; C529-C544 VanDerWaalsContact CB-CB 3.46Å; C529-C544 WeakPolarHBondContact CB-SG 3.39Å; C529-C544 WeakPolarHBondContact SG-CA 3.39Å; C529-C544 WeakPolarHBondContact SG-CB 3.16Å; C529-C544 CovalentContact SG-SG 2.04Å; C529-C544 PolarHBondContact SG-SG 3.42Å
530	C	91.7	Very high	90.7	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-67.7	-39.1	177.5	-64.5	0	0	0	0	111.6	C526 A527 A532 R533 A568	C526-C530 PolarHBondContact O-N 2.76Å; C526-C530 PolarHBondContact O-SG 2.97Å; C526-C530 VanDerWaalsContact O-SG 3.33Å; A527-C530 PolarHBondContact O-N 2.79Å; C530-A532 PolarHBondContact O-N 3.43Å; C530-R533 PolarHBondContact O-N 2.84Å; C530-A568 HydrophobicContact CB-CB 4.12Å
531	L	92.2	Very high	90.4	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-66.7	-22.6	175.4	-71.3	167.8	0	0	0	112.9	R32 A527 R533 G566 A568 E658 H659 F661	R32-L531 PolarHBondContact NE-O 2.99Å; A527-L531 WeakPolarHBondContact O-CB 3.43Å; A527-L531 VanDerWaalsContact O-CG 3.27Å; A527-L531 WeakPolarHBondContact O-CG 3.29Å; A527-L531 PolarHBondContact O-N 2.87Å; L531-R533 PolarHBondContact O-N 2.89Å; L531-G566 WeakPolarHBondContact CD2-O 3.32Å; L531-A568 HydrophobicContact CD1-CB 4.37Å; L531-A568 HydrophobicContact CD2-CB 4.26Å; L531-A568 HydrophobicContact CG-CB 3.89Å; L531-E658 HydrophobicContact CD1-CB 4.44Å; L531-E658 HydrophobicContact CD2-CB 4.39Å; L531-E658 HydrophobicContact CD2-CG 4.12Å; L531-H659 HydrophobicContact CD2-CB 3.87Å; L531-F661 HydrophobicContact CD1-CB 4.26Å; L531-F661 HydrophobicContact CD1-CD1 3.88Å; L531-F661 HydrophobicContact CD1-CG 4.27Å; L531-F661 HydrophobicContact CD2-CB 4.33Å
532	A	93.3	Very high	90	Very high	2 Å²	2	21 Å²	21	2%	0.017	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.8	175.7	0	0	0	0	0	113.4	L479 Y522 D528 C529 C530 D534	L479-A532 VanDerWaalsContact CD2-O 3.27Å; L479-A532 WeakPolarHBondContact CD2-O 3.45Å; Y522-A532 HydrophobicContact CD1-CB 3.52Å; Y522-A532 HydrophobicContact CD2-CB 3.65Å; Y522-A532 HydrophobicContact CE1-CB 3.77Å; Y522-A532 HydrophobicContact CE2-CB 3.9Å; Y522-A532 HydrophobicContact CG-CB 3.47Å; Y522-A532 VanDerWaalsContact CG-CB 3.47Å; D528-A532 PolarHBondContact O-N 3.34Å; C529-A532 VanDerWaalsContact O-CB 3.31Å; C529-A532 WeakPolarHBondContact O-CB 3.24Å; C529-A532 PolarHBondContact O-N 3.02Å; C530-A532 PolarHBondContact O-N 3.43Å; A532-D534 PolarHBondContact O-N 2.85Å
533	R	94.9	Very high	90	Very high	8 Å²	8	22.2 Å²	22.2	3%	0.03	14%	0.141	C	C	.	.			trans	52.1	20.4	179.8	-61.2	173.2	73.1	-174	0.1	113.9	E475 V477 L479 C530 L531 P535 V563 R564 H659	E475-R533 IonicContact OE1-CZ 3.41Å; E475-R533 VanDerWaalsContact OE1-CZ 3.26Å; E475-R533 IonicContact OE1-NH1 2.92Å; E475-R533 PolarHBondContact OE1-NH1 2.87Å; E475-R533 IonicContact OE1-NH2 2.56Å; E475-R533 PolarHBondContact OE1-NH2 2.61Å; E475-R533 IonicContact OE2-NH2 3.66Å; E475-R533 PolarHBondContact OE2-NH2 3.45Å; V477-R533 HydrophobicContact CG1-CB 4.48Å; L479-R533 HydrophobicContact CD2-CB 4.48Å; C530-R533 PolarHBondContact O-N 2.84Å; L531-R533 PolarHBondContact O-N 2.89Å; R533-P535 WeakPolarHBondContact O-CD 3.4Å; R533-V563 PolarHBondContact NE-O 2.73Å; R533-V563 WeakPolarHBondContact O-CG1 3.32Å; R533-R564 PolarHBondContact NH2-O 2.66Å; R533-H659 PolarHBondContact NH1-NE2 2.87Å
534	D	96.4	Very high	90.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	13%	0.13	C	C	.	.			trans	-83	117.2	-179.1	-172.8	-20.9	0	0	0	109.8	K462 L479 Y522 A532 Y536 C537 Q561	K462-D534 VanDerWaalsContact NZ-CG 3.3Å; K462-D534 IonicContact NZ-OD1 3.94Å; K462-D534 PolarHBondContact NZ-OD1 3.37Å; K462-D534 IonicContact NZ-OD2 2.74Å; K462-D534 PolarHBondContact NZ-OD2 2.93Å; L479-D534 HydrophobicContact CD1-CB 4.33Å; L479-D534 HydrophobicContact CD2-CB 4.44Å; Y522-D534 HydrophobicContact CE2-CB 3.77Å; Y522-D534 WeakPolarHBondContact CE2-OD2 3.34Å; Y522-D534 PolarHBondContact OH-OD2 3.31Å; A532-D534 PolarHBondContact O-N 2.85Å; D534-Y536 PolarHBondContact O-N 3.25Å; D534-Y536 VanDerWaalsContact O-N 3.08Å; D534-Y536 WeakPolarHBondContact OD1-CB 3.35Å; D534-Y536 VanDerWaalsContact OD1-CD2 3.31Å; D534-Y536 WeakPolarHBondContact OD1-CD2 3.34Å; D534-Y536 PolarHBondContact OD1-N 2.79Å; D534-C537 HydrophobicContact CB-CB 4.08Å; D534-C537 PolarHBondContact O-N 3.3Å; D534-C537 VanDerWaalsContact O-O 3.08Å; D534-Q561 PolarHBondContact O-NE2 3.26Å
535	P	96.4	Very high	90.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25	-178.9	-24.4	34.3	0	0	0	113.9	V441 A443 Y448 V450 I464 R533 C537 Q561 V563	V441-P535 HydrophobicContact CB-CB 4.13Å; V441-P535 HydrophobicContact CG1-CB 4.03Å; A443-P535 HydrophobicContact CB-CB 4.26Å; Y448-P535 HydrophobicContact CD2-CB 4.33Å; Y448-P535 HydrophobicContact CD2-CG 4.2Å; Y448-P535 HydrophobicContact CG-CG 3.98Å; V450-P535 HydrophobicContact CG2-CB 4.42Å; V450-P535 HydrophobicContact CG2-CG 3.96Å; I464-P535 HydrophobicContact CG2-CG 4.1Å; R533-P535 WeakPolarHBondContact O-CD 3.4Å; P535-C537 VanDerWaalsContact C-N 3.27Å; P535-C537 PolarHBondContact O-N 2.93Å; P535-Q561 PolarHBondContact O-NE2 2.97Å; P535-V563 HydrophobicContact CB-CG2 4.29Å; P535-V563 HydrophobicContact CG-CG1 4Å; P535-V563 HydrophobicContact CG-CG2 4.19Å
536	Y	96	Very high	91.2	Very high	5 Å²	5	22.9 Å²	22.9	2%	0.02	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-10	177.1	-63	-71	0	0	0	113.7	D439 V441 V450 F452 F516 H517 C519 D534 R546 Y547	D439-Y536 VanDerWaalsContact CB-OH 3.26Å; D439-Y536 WeakPolarHBondContact CB-OH 3.45Å; D439-Y536 VanDerWaalsContact CG-OH 3.31Å; D439-Y536 PolarHBondContact OD2-OH 3.19Å; V441-Y536 HydrophobicContact CB-CE1 4.19Å; V441-Y536 HydrophobicContact CG1-CD1 3.77Å; V441-Y536 HydrophobicContact CG1-CE1 3.79Å; V441-Y536 HydrophobicContact CG1-CG 4.46Å; V441-Y536 HydrophobicContact CG2-CD1 4.04Å; V441-Y536 HydrophobicContact CG2-CE1 3.26Å; V441-Y536 HydrophobicContact CG2-CE2 4Å; V441-Y536 VanDerWaalsContact CG2-OH 3.26Å; V441-Y536 WeakPolarHBondContact CG2-OH 3.47Å; V450-Y536 HydrophobicContact CB-CE2 4.21Å; V450-Y536 HydrophobicContact CG1-CE2 4.07Å; V450-Y536 HydrophobicContact CG2-CE2 3.95Å; F452-Y536 HydrophobicContact CZ-CE2 4.24Å; F516-Y536 HydrophobicContact CB-CE1 4.48Å; F516-Y536 HydrophobicContact CB-CE2 4.15Å; F516-Y536 AromaticContact CD2-CE1 3.91Å; F516-Y536 HydrophobicContact CD2-CE1 3.91Å; F516-Y536 HydrophobicContact CD2-CE2 4.48Å; F516-Y536 AromaticContact CD2-CZ 3.66Å; F516-Y536 WeakPolarHBondContact CD2-OH 3.21Å; H517-Y536 HydrophobicContact CB-CD2 4.32Å; H517-Y536 HydrophobicContact CB-CG 4.17Å; C519-Y536 PolarHBondContact SG-O 2.77Å; D534-Y536 PolarHBondContact O-N 3.25Å; D534-Y536 VanDerWaalsContact O-N 3.08Å; D534-Y536 WeakPolarHBondContact OD1-CB 3.35Å; D534-Y536 VanDerWaalsContact OD1-CD2 3.31Å; D534-Y536 WeakPolarHBondContact OD1-CD2 3.34Å; D534-Y536 PolarHBondContact OD1-N 2.79Å; Y536-R546 CarbonylContact O-C 3.51Å; Y536-R546 WeakPolarHBondContact O-CA 3.46Å; Y536-Y547 PolarHBondContact O-N 3.19Å
537	C	95.1	Very high	91.2	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.014	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.1	-168.4	-54.4	0	0	0	0	112.2	C519 Y522 D534 P535 S545 Q561	C519-C537 WeakPolarHBondContact CA-SG 3.43Å; C519-C537 HydrophobicContact CB-CB 3.68Å; C519-C537 WeakPolarHBondContact CB-SG 3.43Å; C519-C537 WeakPolarHBondContact SG-CA 3.48Å; C519-C537 WeakPolarHBondContact SG-CB 3.16Å; C519-C537 CovalentContact SG-SG 2.03Å; C519-C537 PolarHBondContact SG-SG 3.01Å; Y522-C537 HydrophobicContact CD2-CB 4.32Å; Y522-C537 HydrophobicContact CE2-CB 4.28Å; D534-C537 HydrophobicContact CB-CB 4.08Å; D534-C537 PolarHBondContact O-N 3.3Å; D534-C537 VanDerWaalsContact O-O 3.08Å; P535-C537 VanDerWaalsContact C-N 3.27Å; P535-C537 PolarHBondContact O-N 2.93Å; C537-S545 CarbonylContact C-O 3.55Å; C537-S545 WeakPolarHBondContact CA-O 3.46Å; C537-Q561 PolarHBondContact O-NE2 3.27Å
538	A	93.4	Very high	90.9	Very high	4 Å²	4	28.6 Å²	28.6	3%	0.033	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	152.6	175.8	0	0	0	0	0	110.5	S545 Y547 R559 Q561	A538-S545 PolarHBondContact N-O 3.43Å; A538-S545 PolarHBondContact O-N 3.48Å; A538-Y547 HydrophobicContact CB-CD2 3.82Å; A538-R559 HydrophobicContact CB-CG 4.2Å; A538-Q561 HydrophobicContact CB-CB 3.95Å; A538-Q561 HydrophobicContact CB-CG 4.4Å
539	W	91.4	Very high	90.3	Very high	17 Å²	17	30.6 Å²	30.6	6%	0.064	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132.4	172.5	177.8	-113.2	0	0	0	109.3	S524 C526 C529 G541 I542 R559 R560	S524-W539 VanDerWaalsContact C-CZ3 3.41Å; S524-W539 WeakPolarHBondContact O-CH2 3.5Å; S524-W539 VanDerWaalsContact O-CZ3 3.25Å; S524-W539 WeakPolarHBondContact O-CZ3 3.42Å; C526-W539 VanDerWaalsContact CA-CD2 3.5Å; C526-W539 HydrophobicContact CB-CD2 3.79Å; C526-W539 HydrophobicContact CB-CE3 4.36Å; C526-W539 HydrophobicContact CB-CG 3.9Å; C526-W539 HydrophobicContact CB-CZ2 4.27Å; C529-W539 HydrophobicContact CB-CB 4.27Å; C529-W539 HydrophobicContact CB-CE3 4.41Å; C529-W539 PolarHBondContact SG-N 3.43Å; W539-G541 WeakPolarHBondContact CZ2-O 3.29Å; W539-G541 VanDerWaalsContact NE1-CA 3.31Å; W539-I542 WeakPolarHBondContact CH2-O 3.39Å; W539-R559 WeakPolarHBondContact O-CA 3.12Å; W539-R560 HydrophobicContact CB-CB 4.11Å; W539-R560 PolarHBondContact N-O 2.87Å; W539-R560 PolarHBondContact O-N 3.46Å; W539-R560 VanDerWaalsContact O-N 3.16Å
540	D	85.9	Confident	89	Confident	71 Å²	71	34.3 Å²	34.3	38%	0.38	18%	0.184	S	C	.	.			trans	-104.7	0.2	179.4	64.5	16.5	0	0	0	114.7	I542 S543 S545	D540-I542 PolarHBondContact OD1-N 3.03Å; D540-S543 PolarHBondContact N-O 2.83Å; D540-S543 PolarHBondContact OD1-N 2.95Å; D540-S543 VanDerWaalsContact OD1-O 3.09Å; D540-S545 WeakPolarHBondContact CB-OG 3.35Å; D540-S545 VanDerWaalsContact CG-OG 3.28Å; D540-S545 VanDerWaalsContact OD2-CB 3.31Å; D540-S545 WeakPolarHBondContact OD2-CB 3.36Å; D540-S545 PolarHBondContact OD2-OG 2.83Å
541	G	84.2	Confident	87.5	Confident	28 Å²	28	37.6 Å²	37.6	29%	0.289	22%	0.219	S	C	.	.	S	Bend	trans	105.3	-14.5	-172.8	0	0	0	0	0	114.2	W539	W539-G541 WeakPolarHBondContact CZ2-O 3.29Å; W539-G541 VanDerWaalsContact NE1-CA 3.31Å
542	I	82.4	Confident	85.7	Confident	140 Å²	140	41.8 Å²	41.8	72%	0.718	25%	0.245	S	C	*	.	S	Bend	trans	-127	-47.1	-178.3	-57.6	173.6	0	0	0	111.4	W539 D540	W539-I542 WeakPolarHBondContact CH2-O 3.39Å; D540-I542 PolarHBondContact OD1-N 3.03Å
543	S	89.2	Confident	83.8	Confident	43 Å²	43	51.1 Å²	51.1	30%	0.301	29%	0.287	S	S	.	.	S	Bend	trans	-145.9	167.4	178.8	65.1	0	0	0	0	111.3	D540 S545	D540-S543 PolarHBondContact N-O 2.83Å; D540-S543 PolarHBondContact OD1-N 2.95Å; D540-S543 VanDerWaalsContact OD1-O 3.09Å; S543-S545 PolarHBondContact O-N 3.45Å
544	C	91.9	Very high	81.8	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.007	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	119.6	165.3	-160.8	0	0	0	0	108.6	C519 G523 C529	C519-C544 CarbonylContact C-O 3.57Å; C519-C544 VanDerWaalsContact O-CB 3.32Å; C519-C544 WeakPolarHBondContact O-CB 3.33Å; G523-C544 VanDerWaalsContact O-CB 3.31Å; G523-C544 WeakPolarHBondContact O-CB 3.24Å; G523-C544 PolarHBondContact O-N 3.47Å; G523-C544 VanDerWaalsContact O-N 3.11Å; C529-C544 VanDerWaalsContact CA-SG 3.5Å; C529-C544 HydrophobicContact CB-CB 3.46Å; C529-C544 VanDerWaalsContact CB-CB 3.46Å; C529-C544 WeakPolarHBondContact CB-SG 3.39Å; C529-C544 WeakPolarHBondContact SG-CA 3.39Å; C529-C544 WeakPolarHBondContact SG-CB 3.16Å; C529-C544 CovalentContact SG-SG 2.04Å; C529-C544 PolarHBondContact SG-SG 3.42Å
545	S	92.4	Very high	79.9	Confident	33 Å²	33	61.7 Å²	61.7	23%	0.231	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	178.2	-176.6	72.6	0	0	0	0	110.3	C537 A538 D540 S543 Y547	C537-S545 CarbonylContact C-O 3.55Å; C537-S545 WeakPolarHBondContact CA-O 3.46Å; A538-S545 PolarHBondContact N-O 3.43Å; A538-S545 PolarHBondContact O-N 3.48Å; D540-S545 WeakPolarHBondContact CB-OG 3.35Å; D540-S545 VanDerWaalsContact CG-OG 3.28Å; D540-S545 VanDerWaalsContact OD2-CB 3.31Å; D540-S545 WeakPolarHBondContact OD2-CB 3.36Å; D540-S545 PolarHBondContact OD2-OG 2.83Å; S543-S545 PolarHBondContact O-N 3.45Å; S545-Y547 PolarHBondContact O-N 3.18Å
546	R	91.9	Very high	78.2	Confident	80 Å²	80	70.5 Å²	70.5	30%	0.302	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	134	-174.2	179.5	-178	165.6	131.7	13	111.4	Q501 H517 Y536 Y548	Q501-R546 VanDerWaalsContact CD-CZ 3.48Å; H517-R546 PolarHBondContact NE2-NH1 2.84Å; Y536-R546 CarbonylContact O-C 3.51Å; Y536-R546 WeakPolarHBondContact O-CA 3.46Å; R546-Y548 HydrophobicContact CB-CE2 4.01Å; R546-Y548 WeakPolarHBondContact CD-OH 3.44Å; R546-Y548 HydrophobicContact CG-CD2 4.48Å; R546-Y548 HydrophobicContact CG-CE2 4.02Å; R546-Y548 WeakPolarHBondContact O-CD2 3.22Å
547	Y	89.1	Confident	76.8	Confident	24 Å²	24	80.3 Å²	80.3	9%	0.094	41%	0.413	C	S	.	.			trans	-70.6	131.8	170.2	-176.6	-98.6	0	0	0	111.1	E442 E444 Y536 A538 S545 P549	E442-Y547 WeakPolarHBondContact O-CD1 3.32Å; E442-Y547 WeakPolarHBondContact O-CE1 3.27Å; E444-Y547 HydrophobicContact CB-CE2 4.21Å; Y536-Y547 PolarHBondContact O-N 3.19Å; A538-Y547 HydrophobicContact CB-CD2 3.82Å; S545-Y547 PolarHBondContact O-N 3.18Å; Y547-P549 HydrophobicContact CD1-CG 4.45Å; Y547-P549 HydrophobicContact CE1-CB 4.44Å; Y547-P549 HydrophobicContact CE1-CG 3.97Å
548	Y	82.3	Confident	75.6	Confident	117 Å²	117	85 Å²	85	46%	0.459	43%	0.434	S	S	.	.			trans	-124.5	120.5	171.7	-69.1	-81.9	0	0	0	109.2	R546 R559	R546-Y548 HydrophobicContact CB-CE2 4.01Å; R546-Y548 WeakPolarHBondContact CD-OH 3.44Å; R546-Y548 HydrophobicContact CG-CD2 4.48Å; R546-Y548 HydrophobicContact CG-CE2 4.02Å; R546-Y548 WeakPolarHBondContact O-CD2 3.22Å; Y548-R559 PolarHBondContact O-NH2 3.22Å
549	P	73.6	Confident	75.2	Confident	57 Å²	57	86.3 Å²	86.3	37%	0.37	44%	0.438	S	S	.	.			trans	-54.5	147	171.5	-22.8	31.9	0	0	0	110.6	E442 Y547 G551	E442-P549 HydrophobicContact CB-CG 4.16Å; Y547-P549 HydrophobicContact CD1-CG 4.45Å; Y547-P549 HydrophobicContact CE1-CB 4.44Å; Y547-P549 HydrophobicContact CE1-CG 3.97Å; P549-G551 PolarHBondContact O-N 3.02Å; P549-G551 VanDerWaalsContact O-N 3.16Å
550	T	64.9	Low	75.1	Confident	82 Å²	82	88.7 Å²	88.7	50%	0.503	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	116.6	-164	-37.1	0	0	0	0	113.2	R556	T550-R556 VanDerWaalsContact CG2-CZ 3.45Å; T550-R556 VanDerWaalsContact CG2-NE 3.34Å
551	G	60.4	Low	75.4	Confident	72 Å²	72	85.7 Å²	85.7	74%	0.742	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	162.2	-18	174.2	0	0	0	0	0	116.5	P549	P549-G551 PolarHBondContact O-N 3.02Å; P549-G551 VanDerWaalsContact O-N 3.16Å
552	T	54.4	Low	75.7	Confident	91 Å²	91	85 Å²	85	56%	0.558	42%	0.42	S	S	*	.	S	Bend	trans	-138.5	61.6	-166	45.5	0	0	0	0	113.5
553	H	52.6	Low	76.3	Confident	198 Å²	198	78.3 Å²	78.3	92%	0.917	39%	0.386	S	S	*	.	S	Bend	trans	104.6	6.9	161.5	-54.8	-84.6	0	0	0	121.9
554	A	53	Low	76.4	Confident	53 Å²	53	81.5 Å²	81.5	44%	0.438	39%	0.392	S	S	.	.			trans	-99.9	130.9	178.3	0	0	0	0	0	114.6	R556 R559	A554-R556 PolarHBondContact O-N 3.21Å; A554-R559 VanDerWaalsContact CB-NH2 3.33Å
555	K	56.6	Low	76.4	Confident	177 Å²	177	86.9 Å²	86.9	77%	0.77	42%	0.416	S	S	*	.			trans	-62.2	92.8	168.2	-68.4	176.5	-178.5	172.9	0	109.5	R557 F558	K555-R557 PolarHBondContact O-N 2.04Å; K555-F558 PolarHBondContact O-N 3.46Å
556	R	60.8	Low	76.3	Confident	185 Å²	185	85.3 Å²	85.3	70%	0.698	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46	-24.2	-176.3	-68.9	-171.8	-174.6	-173.5	4.1	116.2	T550 A554 F558	T550-R556 VanDerWaalsContact CG2-CZ 3.45Å; T550-R556 VanDerWaalsContact CG2-NE 3.34Å; A554-R556 PolarHBondContact O-N 3.21Å; R556-F558 PolarHBondContact O-N 3.49Å
557	R	66.8	Low	76.2	Confident	211 Å²	211	83.5 Å²	83.5	80%	0.796	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-30.8	-171.9	-61.7	-171.1	-155	169.8	6.2	114.3	K555 R560	K555-R557 PolarHBondContact O-N 2.04Å; R557-R560 PolarHBondContact O-NH1 3.26Å; R557-R560 PolarHBondContact O-NH2 3Å
558	F	69.8	Low	76.2	Confident	100 Å²	100	82.4 Å²	82.4	44%	0.439	40%	0.397	S	S	.	.	S	Bend	trans	-105.2	-4.1	-172.4	-58.1	-73.9	0	0	0	114.2	K555 R556 R560	K555-F558 PolarHBondContact O-N 3.46Å; R556-F558 PolarHBondContact O-N 3.49Å; F558-R560 PolarHBondContact O-N 3.23Å
559	R	85	Confident	76.4	Confident	33 Å²	33	79.2 Å²	79.2	13%	0.125	40%	0.396	C	S	.	.			trans	-68.2	130.7	-178.3	-172.7	-173.6	-66.1	157.4	-18.6	111.4	A538 W539 Y548 A554	A538-R559 HydrophobicContact CB-CG 4.2Å; W539-R559 WeakPolarHBondContact O-CA 3.12Å; Y548-R559 PolarHBondContact O-NH2 3.22Å; A554-R559 VanDerWaalsContact CB-NH2 3.33Å
560	R	89.1	Confident	77	Confident	66 Å²	66	83.4 Å²	83.4	25%	0.249	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-137.1	130.1	172.1	-57.4	-65.8	-179.3	-92.4	-2.1	111	W539 R557 F558 Q571	W539-R560 HydrophobicContact CB-CB 4.11Å; W539-R560 PolarHBondContact N-O 2.87Å; W539-R560 PolarHBondContact O-N 3.46Å; W539-R560 VanDerWaalsContact O-N 3.16Å; R557-R560 PolarHBondContact O-NH1 3.26Å; R557-R560 PolarHBondContact O-NH2 3Å; F558-R560 PolarHBondContact O-N 3.23Å; R560-Q571 HydrophobicContact CB-CB 4.36Å; R560-Q571 WeakPolarHBondContact CD-O 3.38Å; R560-Q571 WeakPolarHBondContact CG-O 3.42Å; R560-Q571 PolarHBondContact NE-O 2.69Å; R560-Q571 VanDerWaalsContact NE-O 3.08Å
561	Q	92.1	Very high	78	Confident	9 Å²	9	82.3 Å²	82.3	4%	0.042	40%	0.399	C	S	.	.			trans	-149.5	139.9	172.5	-171.8	-177	45.8	0	0	108.8	E444 D534 P535 C537 A538 V563	E444-Q561 HydrophobicContact CB-CB 4.08Å; E444-Q561 PolarHBondContact OE2-N 2.71Å; D534-Q561 PolarHBondContact O-NE2 3.26Å; P535-Q561 PolarHBondContact O-NE2 2.97Å; C537-Q561 PolarHBondContact O-NE2 3.27Å; A538-Q561 HydrophobicContact CB-CB 3.95Å; A538-Q561 HydrophobicContact CB-CG 4.4Å; Q561-V563 HydrophobicContact CG-CG2 4.02Å
562	D	91.9	Very high	79.2	Confident	13 Å²	13	79 Å²	79	7%	0.07	37%	0.365	C	S	.	.			trans	-146.9	87	172	-179.8	6.2	0	0	0	108.6	H565 G566 N567 Q571	D562-H565 IonicContact OD1-CG 3.97Å; D562-H565 PolarHBondContact OD1-N 2.89Å; D562-H565 IonicContact OD1-ND1 2.75Å; D562-H565 PolarHBondContact OD1-ND1 3.26Å; D562-G566 VanDerWaalsContact O-CA 3.32Å; D562-G566 WeakPolarHBondContact O-CA 3.2Å; D562-G566 PolarHBondContact O-N 3.16Å; D562-G566 VanDerWaalsContact O-N 3.08Å; D562-N567 WeakPolarHBondContact OD2-CB 3.36Å; D562-N567 PolarHBondContact OD2-N 2.81Å; D562-Q571 HydrophobicContact CB-CG 3.95Å
563	V	94.4	Very high	80.1	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-44.6	-179	173.7	0	0	0	0	109.9	A443 D445 Y448 I464 R533 P535 Q561 H565	A443-V563 HydrophobicContact CB-CG2 4.05Å; D445-V563 PolarHBondContact OD2-N 2.75Å; Y448-V563 HydrophobicContact CD1-CG1 3.77Å; Y448-V563 HydrophobicContact CD2-CB 4.36Å; Y448-V563 HydrophobicContact CD2-CG1 3.96Å; Y448-V563 HydrophobicContact CE1-CB 4.23Å; Y448-V563 HydrophobicContact CE1-CG1 3.41Å; Y448-V563 VanDerWaalsContact CE1-CG1 3.41Å; Y448-V563 HydrophobicContact CE2-CB 3.69Å; Y448-V563 HydrophobicContact CE2-CG1 3.61Å; Y448-V563 HydrophobicContact CE2-CG2 4.15Å; Y448-V563 HydrophobicContact CG-CG1 4.03Å; I464-V563 HydrophobicContact CD1-CG1 3.5Å; R533-V563 PolarHBondContact NE-O 2.73Å; R533-V563 WeakPolarHBondContact O-CG1 3.32Å; P535-V563 HydrophobicContact CB-CG2 4.29Å; P535-V563 HydrophobicContact CG-CG1 4Å; P535-V563 HydrophobicContact CG-CG2 4.19Å; Q561-V563 HydrophobicContact CG-CG2 4.02Å; V563-H565 PolarHBondContact O-N 3.07Å
564	R	92.3	Very high	80.6	Confident	110 Å²	110	75.8 Å²	75.8	42%	0.415	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-45.2	-171.9	-167	169.9	-177.3	-160.2	-2.2	113	D445 Y448 I466 R533	D445-R564 VanDerWaalsContact OD2-CB 3.3Å; D445-R564 WeakPolarHBondContact OD2-CB 3.48Å; D445-R564 PolarHBondContact OD2-N 3.08Å; Y448-R564 WeakPolarHBondContact OH-CB 2.99Å; Y448-R564 PolarHBondContact OH-N 2.74Å; I466-R564 HydrophobicContact CG2-CG 4.09Å; R533-R564 PolarHBondContact NH2-O 2.66Å
565	H	90.4	Very high	80.8	Confident	113 Å²	113	75.5 Å²	75.5	52%	0.523	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-17.2	-172.1	-45.3	97.1	0	0	0	114.1	D562 V563 N567	D562-H565 IonicContact OD1-CG 3.97Å; D562-H565 PolarHBondContact OD1-N 2.89Å; D562-H565 IonicContact OD1-ND1 2.75Å; D562-H565 PolarHBondContact OD1-ND1 3.26Å; V563-H565 PolarHBondContact O-N 3.07Å; H565-N567 VanDerWaalsContact C-N 3.27Å; H565-N567 HydrophobicContact CB-CB 4.49Å; H565-N567 PolarHBondContact O-N 3.18Å
566	G	90.5	Very high	80.5	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	33%	0.33	C	S	.	.			trans	62.5	30.2	-175.8	0	0	0	0	0	113.8	L531 D562 A568	L531-G566 WeakPolarHBondContact CD2-O 3.32Å; D562-G566 VanDerWaalsContact O-CA 3.32Å; D562-G566 WeakPolarHBondContact O-CA 3.2Å; D562-G566 PolarHBondContact O-N 3.16Å; D562-G566 VanDerWaalsContact O-N 3.08Å; G566-A568 VanDerWaalsContact C-N 3.31Å; G566-A568 PolarHBondContact O-N 3.12Å
567	N	89.6	Confident	79.8	Confident	42 Å²	42	71.9 Å²	71.9	23%	0.225	33%	0.334	C	S	.	.			trans	-79.8	74.2	-171.7	-166.9	-18.5	0	0	0	112.8	D562 H565 A569 Q570 Q571	D562-N567 WeakPolarHBondContact OD2-CB 3.36Å; D562-N567 PolarHBondContact OD2-N 2.81Å; H565-N567 VanDerWaalsContact C-N 3.27Å; H565-N567 HydrophobicContact CB-CB 4.49Å; H565-N567 PolarHBondContact O-N 3.18Å; N567-A569 PolarHBondContact O-N 3.43Å; N567-A569 PolarHBondContact OD1-N 3.2Å; N567-Q570 WeakPolarHBondContact ND2-CG 3.38Å; N567-Q570 PolarHBondContact ND2-OE1 3.16Å; N567-Q570 PolarHBondContact O-N 2.03Å; N567-Q570 PolarHBondContact OD1-N 2.75Å; N567-Q570 VanDerWaalsContact OD1-N 3.11Å; N567-Q571 WeakPolarHBondContact O-CB 3.34Å; N567-Q571 VanDerWaalsContact O-CG 3.29Å; N567-Q571 WeakPolarHBondContact O-CG 3.42Å; N567-Q571 PolarHBondContact O-N 2.99Å; N567-Q571 VanDerWaalsContact O-N 3.09Å
568	A	88.9	Confident	78.3	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.008	33%	0.332	C	S	.	.	H	α-helix	trans	-58.6	-32.9	177.1	0	0	0	0	0	113.6	A527 C530 L531 G566 Q570 C572 F661	A527-A568 HydrophobicContact CB-CB 3.88Å; C530-A568 HydrophobicContact CB-CB 4.12Å; L531-A568 HydrophobicContact CD1-CB 4.37Å; L531-A568 HydrophobicContact CD2-CB 4.26Å; L531-A568 HydrophobicContact CG-CB 3.89Å; G566-A568 VanDerWaalsContact C-N 3.31Å; G566-A568 PolarHBondContact O-N 3.12Å; A568-Q570 PolarHBondContact O-N 3.29Å; A568-C572 VanDerWaalsContact O-CB 3.24Å; A568-C572 WeakPolarHBondContact O-CB 3.38Å; A568-C572 PolarHBondContact O-N 2.91Å; A568-F661 HydrophobicContact CB-CB 4.43Å; A568-F661 HydrophobicContact CB-CD2 3.86Å; A568-F661 HydrophobicContact CB-CE2 4.32Å; A568-F661 HydrophobicContact CB-CG 4.13Å
569	A	86.5	Confident	76.6	Confident	51 Å²	51	66 Å²	66	42%	0.421	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-41.1	-178.2	0	0	0	0	0	112.4	N567 F661	N567-A569 PolarHBondContact O-N 3.43Å; N567-A569 PolarHBondContact OD1-N 3.2Å; A569-F661 HydrophobicContact CB-CD2 4.39Å
570	Q	86.4	Confident	74.3	Confident	145 Å²	145	72.8 Å²	72.8	68%	0.678	38%	0.38	S	S	*	.	H	α-helix	trans	-79.7	-43.6	176.7	-70.8	-175.2	-5.3	0	0	112.2	N567 A568 C572	N567-Q570 WeakPolarHBondContact ND2-CG 3.38Å; N567-Q570 PolarHBondContact ND2-OE1 3.16Å; N567-Q570 PolarHBondContact O-N 2.03Å; N567-Q570 PolarHBondContact OD1-N 2.75Å; N567-Q570 VanDerWaalsContact OD1-N 3.11Å; A568-Q570 PolarHBondContact O-N 3.29Å; Q570-C572 VanDerWaalsContact C-N 3.35Å; Q570-C572 PolarHBondContact O-N 3.38Å
571	Q	86	Confident	72	Confident	58 Å²	58	73 Å²	73	27%	0.271	40%	0.396	S	S	.	.	H	α-helix	trans	-68.5	-33.8	-174.3	-66.8	-62	-16.8	0	0	113.1	R560 D562 N567	R560-Q571 HydrophobicContact CB-CB 4.36Å; R560-Q571 WeakPolarHBondContact CD-O 3.38Å; R560-Q571 WeakPolarHBondContact CG-O 3.42Å; R560-Q571 PolarHBondContact NE-O 2.69Å; R560-Q571 VanDerWaalsContact NE-O 3.08Å; D562-Q571 HydrophobicContact CB-CG 3.95Å; N567-Q571 WeakPolarHBondContact O-CB 3.34Å; N567-Q571 VanDerWaalsContact O-CG 3.29Å; N567-Q571 WeakPolarHBondContact O-CG 3.42Å; N567-Q571 PolarHBondContact O-N 2.99Å; N567-Q571 VanDerWaalsContact O-N 3.09Å
572	C	85.3	Confident	69.8	Low	4 Å²	4	76 Å²	76	3%	0.027	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	14.1	-173.9	-56.7	0	0	0	0	113.8	C526 A527 A568 Q570 G574 Q575	C526-C572 HydrophobicContact CB-CB 3.75Å; C526-C572 WeakPolarHBondContact CB-SG 3Å; C526-C572 PolarHBondContact O-SG 2.92Å; C526-C572 VanDerWaalsContact O-SG 3.39Å; C526-C572 VanDerWaalsContact SG-CA 3.58Å; C526-C572 WeakPolarHBondContact SG-CB 3.44Å; C526-C572 CovalentContact SG-SG 2.04Å; C526-C572 PolarHBondContact SG-SG 3.15Å; A527-C572 PolarHBondContact N-SG 2.71Å; A527-C572 VanDerWaalsContact N-SG 3.43Å; A568-C572 VanDerWaalsContact O-CB 3.24Å; A568-C572 WeakPolarHBondContact O-CB 3.38Å; A568-C572 PolarHBondContact O-N 2.91Å; Q570-C572 VanDerWaalsContact C-N 3.35Å; Q570-C572 PolarHBondContact O-N 3.38Å; C572-G574 PolarHBondContact O-N 2.88Å; C572-Q575 PolarHBondContact O-N 3.15Å; C572-Q575 VanDerWaalsContact O-N 3.12Å
573	F	75.2	Confident	67.6	Low	179 Å²	179	82.5 Å²	82.5	79%	0.785	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	126.6	-179.7	-165.5	-93.9	0	0	0	111.3	Q575	F573-Q575 VanDerWaalsContact C-N 3.29Å; F573-Q575 PolarHBondContact O-N 2.81Å
574	G	61.7	Low	65.6	Low	41 Å²	41	91.7 Å²	91.7	42%	0.423	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	-8.7	-179	0	0	0	0	0	116.1	C572	C572-G574 PolarHBondContact O-N 2.88Å
575	Q	58.6	Low	64.3	Low	47 Å²	47	89 Å²	89	22%	0.22	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.9	172.4	-71.4	-168.9	7.1	0	0	113.7	C572 F573 F577	C572-Q575 PolarHBondContact O-N 3.15Å; C572-Q575 VanDerWaalsContact O-N 3.12Å; F573-Q575 VanDerWaalsContact C-N 3.29Å; F573-Q575 PolarHBondContact O-N 2.81Å; Q575-F577 PolarHBondContact O-N 2.98Å
576	Q	49.7	Very low	63.5	Low	111 Å²	111	88.7 Å²	88.7	52%	0.519	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-6.3	166.2	-79.8	162.9	-22.1	0	0	113.4
577	F	45.2	Very low	63.3	Low	176 Å²	176	95.3 Å²	95.3	77%	0.772	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	1	-171.3	-63.5	-75.9	0	0	0	115.4	Q575	Q575-F577 PolarHBondContact O-N 2.98Å
578	V	35.9	Very low	63.3	Low	127 Å²	127	97.1 Å²	97.1	77%	0.77	52%	0.519	S	S	*	.	S	Bend	trans	-128.7	73.8	-174.7	-167.7	0	0	0	0	110.6
579	G	34.8	Very low	63.4	Low	59 Å²	59	100.9 Å²	100.9	61%	0.608	54%	0.538	S	S	*	.	S	Bend	trans	161.8	116.4	171.3	0	0	0	0	0	110	A581	G579-A581 PolarHBondContact O-N 3.27Å
580	D	35.3	Very low	63.7	Low	177 Å²	177	99.1 Å²	99.1	95%	0.947	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	13.8	-179.9	-98	-31.4	0	0	0	116.6
581	A	41.9	Very low	63.9	Low	71 Å²	71	99.2 Å²	99.2	59%	0.587	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-3	-168.4	0	0	0	0	0	115.5	G579	G579-A581 PolarHBondContact O-N 3.27Å
582	L	45.9	Very low	64.1	Low	71 Å²	71	96.5 Å²	96.5	37%	0.372	51%	0.507	S	S	.	.	S	Bend	trans	-119.1	-2.6	175.3	-108.8	129.3	0	0	0	114.7	A525 H663	A525-L582 HydrophobicContact CB-CD1 3.47Å; A525-L582 VanDerWaalsContact CB-CD1 3.47Å; L582-H663 WeakPolarHBondContact CD2-NE2 3.49Å
583	D	44.8	Very low	64.3	Low	150 Å²	150	98.3 Å²	98.3	80%	0.802	52%	0.516	S	S	*	.	S	Bend	trans	-98.1	20.2	-176.9	-151.9	24.1	0	0	0	114.3
584	K	53.6	Low	65.1	Low	192 Å²	192	91.8 Å²	91.8	84%	0.835	49%	0.488	S	S	*	.			trans	-125.1	76.8	160.8	-70.1	-174.5	-176.8	177.4	0	108.1	E586	K584-E586 PolarHBondContact O-N 3.24Å
585	T	64.8	Low	66.3	Low	53 Å²	53	93.2 Å²	93.2	33%	0.325	49%	0.486	S	S	.	.			trans	-45.6	118.4	154.8	-57.7	0	0	0	0	106.1	E587 T664 K667	T585-E587 PolarHBondContact O-N 3.03Å; T585-T664 HydrophobicContact CG2-CG2 3.78Å; T585-K667 HydrophobicContact CG2-CB 3.79Å
586	E	73.9	Confident	67.7	Low	108 Å²	108	93.3 Å²	93.3	51%	0.505	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	111.3	-172.7	-168.7	-169.8	148.8	0	0	108.2	K584 R666 K667	K584-E586 PolarHBondContact O-N 3.24Å; E586-R666 HydrophobicContact CB-CG 4.31Å; E586-R666 VanDerWaalsContact O-CG 3.29Å; E586-R666 WeakPolarHBondContact O-CG 3.43Å; E586-R666 IonicContact OE1-CZ 3.98Å; E586-R666 IonicContact OE1-NE 2.58Å; E586-R666 IonicContact OE1-NH2 2.88Å; E586-R666 PolarHBondContact OE1-NH2 3.28Å; E586-R666 IonicContact OE2-NE 2.87Å; E586-K667 PolarHBondContact O-N 2.94Å
587	E	85.1	Confident	69.6	Low	139 Å²	139	91.1 Å²	91.1	65%	0.65	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	122	177.6	-61.4	-159.7	147.1	0	0	108.7	T585 K667	T585-E587 PolarHBondContact O-N 3.03Å; E587-K667 CarbonylContact C-O 3.56Å; E587-K667 WeakPolarHBondContact CA-O 3.26Å; E587-K667 HydrophobicContact CG-CD 4.2Å; E587-K667 WeakPolarHBondContact OE1-CD 3.41Å; E587-K667 IonicContact OE1-NZ 3.43Å; E587-K667 PolarHBondContact OE1-NZ 2.91Å
588	H	89.8	Confident	71.9	Confident	80 Å²	80	83.7 Å²	83.7	37%	0.37	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.7	179.9	-170.2	69.7	0	0	0	109.8	K667 I668 T669	H588-K667 PolarHBondContact N-O 2.99Å; H588-I668 HydrophobicContact CB-CG1 4.33Å; H588-I668 CarbonylContact O-C 3.56Å; H588-I668 VanDerWaalsContact O-CA 3.27Å; H588-I668 WeakPolarHBondContact O-CA 3.38Å; H588-T669 PolarHBondContact O-N 3.15Å
589	L	91.4	Very high	74.6	Confident	79 Å²	79	81.4 Å²	81.4	41%	0.414	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.4	171.5	-177.5	64.6	0	0	0	107.9	Y591 T669 E671	L589-Y591 HydrophobicContact CD2-CE2 3.84Å; L589-Y591 VanDerWaalsContact CD2-OH 3.28Å; L589-Y591 WeakPolarHBondContact CD2-OH 3.24Å; L589-Y591 HydrophobicContact CG-CE2 3.93Å; L589-T669 HydrophobicContact CD1-CG2 3.93Å; L589-E671 HydrophobicContact CD1-CG 4.03Å
590	A	92.4	Very high	77.4	Confident	15 Å²	15	78.7 Å²	78.7	12%	0.124	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.7	177.5	0	0	0	0	0	109.6	L600 I668 T669 L670 E671	A590-L600 HydrophobicContact CB-CD2 4.17Å; A590-I668 HydrophobicContact CB-CG2 3.83Å; A590-T669 PolarHBondContact N-O 3.27Å; A590-L670 HydrophobicContact CB-CD1 4.33Å; A590-L670 WeakPolarHBondContact O-CA 3.32Å; A590-E671 PolarHBondContact O-N 2.88Å
591	Y	91	Very high	80.1	Confident	146 Å²	146	75.8 Å²	75.8	57%	0.573	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.9	171.3	-64.3	-88.1	0	0	0	108.7	L589 E671 V673	L589-Y591 HydrophobicContact CD2-CE2 3.84Å; L589-Y591 VanDerWaalsContact CD2-OH 3.28Å; L589-Y591 WeakPolarHBondContact CD2-OH 3.24Å; L589-Y591 HydrophobicContact CG-CE2 3.93Å; Y591-E671 WeakPolarHBondContact CA-O 3.38Å; Y591-E671 HydrophobicContact CD1-CB 3.89Å; Y591-E671 HydrophobicContact CE1-CB 4.06Å; Y591-E671 VanDerWaalsContact CE1-OE2 3.27Å; Y591-E671 WeakPolarHBondContact CE1-OE2 3.15Å; Y591-V673 HydrophobicContact CD1-CG2 4.25Å
592	G	90.4	Very high	82.4	Confident	2 Å²	2	72.4 Å²	72.4	2%	0.021	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146	171	0	0	0	0	0	110.2	L644 E671 V672 V673	G592-L644 VanDerWaalsContact CA-CD2 3.43Å; G592-E671 PolarHBondContact N-O 3.35Å; G592-V672 CarbonylContact O-C 3.46Å; G592-V672 WeakPolarHBondContact O-CA 3.5Å; G592-V673 PolarHBondContact O-N 3.2Å
593	I	89.8	Confident	84.4	Confident	41 Å²	41	73.7 Å²	73.7	21%	0.21	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.5	176.5	-64.7	162.3	0	0	0	107.8	N596 V678 Y719	I593-N596 HydrophobicContact CB-CB 4.37Å; I593-N596 PolarHBondContact O-N 3.31Å; I593-V678 HydrophobicContact CD1-CG2 4.43Å; I593-V678 HydrophobicContact CG1-CG2 4.26Å; I593-V678 HydrophobicContact CG2-CG2 4.37Å; I593-Y719 WeakPolarHBondContact CD1-OH 3.13Å
594	E	90.3	Very high	86.2	Confident	43 Å²	43	67.4 Å²	67.4	20%	0.201	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	143.8	176.5	-169.3	161	-136.7	0	0	110.9	N596 K646 V672 V673	E594-N596 PolarHBondContact O-N 2.87Å; E594-K646 PolarHBondContact OE1-N 3.37Å; E594-V672 HydrophobicContact CB-CG1 4.24Å; E594-V673 PolarHBondContact N-O 2.51Å
595	N	87.1	Confident	87.4	Confident	71 Å²	71	65 Å²	65	38%	0.38	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	-8.6	-174.9	-57.5	-43.1	0	0	0	117.2	L644 E675	N595-L644 PolarHBondContact N-O 3.48Å; N595-E675 PolarHBondContact ND2-OE2 3.11Å
596	N	88.7	Confident	88.3	Confident	49 Å²	49	62.8 Å²	62.8	26%	0.262	31%	0.312	S	S	.	.	S	Bend	trans	-91	165.4	175.8	-78.5	-16.3	0	0	0	113.1	I593 E594 L644 Y719	I593-N596 HydrophobicContact CB-CB 4.37Å; I593-N596 PolarHBondContact O-N 3.31Å; E594-N596 PolarHBondContact O-N 2.87Å; N596-L644 WeakPolarHBondContact O-CB 3.3Å; N596-L644 PolarHBondContact O-N 2.76Å; N596-Y719 VanDerWaalsContact ND2-CE2 3.31Å; N596-Y719 WeakPolarHBondContact ND2-CE2 3.48Å; N596-Y719 PolarHBondContact ND2-OH 2.91Å; N596-Y719 VanDerWaalsContact ND2-OH 3.14Å
597	S	90.1	Very high	88.9	Confident	64 Å²	64	61.3 Å²	61.3	45%	0.448	31%	0.307	S	S	.	.			trans	-80	138	171.6	60.8	0	0	0	0	111.3	F641	S597-F641 CarbonylContact C-O 3.55Å; S597-F641 WeakPolarHBondContact CA-O 3.44Å
598	T	92.6	Very high	89	Confident	20 Å²	20	57.1 Å²	57.1	12%	0.123	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	130.5	177.8	-64.4	0	0	0	0	110.1	L600 F641 L670	T598-L600 HydrophobicContact CG2-CD2 4.14Å; T598-F641 PolarHBondContact N-O 2.96Å; T598-F641 PolarHBondContact O-N 2.96Å; T598-L670 HydrophobicContact CG2-CD1 4.37Å
599	L	93.1	Very high	88.9	Confident	79 Å²	79	54 Å²	54	41%	0.414	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.4	175.8	177.8	65.3	0	0	0	110	E601 M635 L640	L599-E601 HydrophobicContact CD2-CG 3.88Å; L599-E601 HydrophobicContact CG-CG 4.04Å; L599-M635 HydrophobicContact CD1-SD 4.44Å; L599-L640 HydrophobicContact CB-CD1 4.18Å; L599-L640 HydrophobicContact CD1-CB 4.06Å; L599-L640 HydrophobicContact CD1-CD1 4.41Å
600	L	94	Very high	88.7	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	101.8	167.6	-51.8	-172	0	0	0	108.6	A590 T598 W613 G638 L639 F641 Y652 I668 L670	A590-L600 HydrophobicContact CB-CD2 4.17Å; T598-L600 HydrophobicContact CG2-CD2 4.14Å; L600-W613 HydrophobicContact CB-CH2 3.96Å; L600-W613 HydrophobicContact CB-CZ3 4.4Å; L600-W613 WeakPolarHBondContact O-CZ2 3.31Å; L600-G638 CarbonylContact O-C 3.45Å; L600-G638 WeakPolarHBondContact O-CA 3.47Å; L600-L639 HydrophobicContact CB-CB 4.28Å; L600-L639 HydrophobicContact CD1-CD2 4.4Å; L600-L639 PolarHBondContact N-O 2.92Å; L600-L639 PolarHBondContact O-N 3.25Å; L600-F641 HydrophobicContact CD1-CE2 3.87Å; L600-F641 HydrophobicContact CG-CD2 4.47Å; L600-F641 HydrophobicContact CG-CE2 4.11Å; L600-Y652 HydrophobicContact CD1-CD1 4.08Å; L600-Y652 HydrophobicContact CD1-CD2 3.77Å; L600-Y652 HydrophobicContact CD1-CE2 4.26Å; L600-Y652 HydrophobicContact CD1-CG 3.69Å; L600-I668 HydrophobicContact CB-CD1 3.92Å; L600-I668 HydrophobicContact CD2-CG2 4.15Å; L600-L670 HydrophobicContact CD2-CD1 4.3Å
601	E	92	Very high	88.6	Confident	116 Å²	116	58.1 Å²	58.1	54%	0.542	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	132.5	-176.6	-66	-178.3	169.2	0	0	112.4	L599 R666	L599-E601 HydrophobicContact CD2-CG 3.88Å; L599-E601 HydrophobicContact CG-CG 4.04Å; E601-R666 PolarHBondContact O-NH1 2.92Å
602	C	90.1	Very high	88.6	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.007	27%	0.272	C	S	.	.			trans	-144.9	108.3	169.4	-174.8	0	0	0	0	111.6	W613 L637 C654	C602-W613 HydrophobicContact CB-CH2 3.79Å; C602-W613 HydrophobicContact CB-CZ2 3.42Å; C602-W613 VanDerWaalsContact CB-CZ2 3.42Å; C602-L637 CarbonylContact C-O 3.47Å; C602-L637 PolarHBondContact N-O 2.92Å; C602-L637 CarbonylContact O-C 3.6Å; C602-L637 WeakPolarHBondContact O-CA 3.38Å; C602-L637 VanDerWaalsContact O-O 3.08Å; C602-C654 HydrophobicContact CB-CB 3.6Å; C602-C654 WeakPolarHBondContact CB-SG 3.33Å; C602-C654 WeakPolarHBondContact SG-CB 3.44Å; C602-C654 CovalentContact SG-SG 2Å; C602-C654 PolarHBondContact SG-SG 3.41Å
603	T	87.1	Confident	88.7	Confident	98 Å²	98	53.1 Å²	53.1	60%	0.601	27%	0.271	S	S	*	.			trans	-93.6	116.1	178	-50.1	0	0	0	0	109.6	L637	T603-L637 HydrophobicContact CG2-CD2 4.26Å
604	P	83.6	Confident	88.9	Confident	18 Å²	18	53.4 Å²	53.4	12%	0.117	27%	0.271	C	S	.	.			trans	-65.9	151.8	174.4	29.7	-34.1	0	0	0	110.4	S606 A609 V611 T656	P604-S606 WeakPolarHBondContact CB-O 3.35Å; P604-S606 PolarHBondContact O-N 2.88Å; P604-A609 HydrophobicContact CB-CB 4.26Å; P604-V611 HydrophobicContact CB-CG2 4.13Å; P604-V611 HydrophobicContact CG-CG2 4.11Å; P604-T656 HydrophobicContact CB-CG2 3.71Å
605	R	77.4	Confident	89	Confident	141 Å²	141	52 Å²	52	53%	0.532	27%	0.265	S	S	.	.	S	Bend	trans	-69.6	-15.8	176.7	-67.5	-174.1	179.1	-177.9	1.3	113.2	D528	D528-R605 IonicContact OD2-CZ 3.54Å; D528-R605 IonicContact OD2-NH1 3.86Å; D528-R605 PolarHBondContact OD2-NH1 2.76Å
606	S	83.6	Confident	89.2	Confident	6 Å²	6	51.1 Å²	51.1	4%	0.042	26%	0.259	C	S	.	.	S	Bend	trans	-142.4	150.2	176.4	179.1	0	0	0	0	111.7	R32 P604 Q608 A609	R32-S606 PolarHBondContact NH1-OG 3.34Å; R32-S606 PolarHBondContact O-OG 2.9Å; P604-S606 WeakPolarHBondContact CB-O 3.35Å; P604-S606 PolarHBondContact O-N 2.88Å; S606-Q608 PolarHBondContact O-N 3.43Å; S606-Q608 PolarHBondContact OG-N 3.27Å; S606-A609 PolarHBondContact O-N 2.89Å
607	L	86.3	Confident	89.1	Confident	77 Å²	77	52.6 Å²	52.6	40%	0.403	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-12.6	176.1	-53.5	176.6	0	0	0	113.1	H30 P31 R34	H30-L607 HydrophobicContact CB-CB 4.01Å; P31-L607 HydrophobicContact CG-CD1 4.35Å; P31-L607 WeakPolarHBondContact O-CB 3.25Å; R34-L607 HydrophobicContact CB-CD1 3.91Å
608	Q	87.7	Confident	88.5	Confident	52 Å²	52	53.2 Å²	53.2	24%	0.243	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-11.3	175.3	-67.9	179.6	-7.9	0	0	112.9	H30 I478 S606	H30-Q608 HydrophobicContact CB-CG 4.47Å; H30-Q608 VanDerWaalsContact O-CG 3.24Å; H30-Q608 WeakPolarHBondContact O-CG 3.36Å; H30-Q608 PolarHBondContact O-NE2 2.73Å; I478-Q608 PolarHBondContact O-NE2 2.93Å; S606-Q608 PolarHBondContact O-N 3.43Å; S606-Q608 PolarHBondContact OG-N 3.27Å
609	A	87.6	Confident	87.2	Confident	14 Å²	14	64.2 Å²	64.2	12%	0.116	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-86.8	134.6	-176.8	0	0	0	0	0	111.4	P604 S606 T656 E658	P604-A609 HydrophobicContact CB-CB 4.26Å; S606-A609 PolarHBondContact O-N 2.89Å; A609-T656 HydrophobicContact CB-CG2 4.41Å; A609-E658 HydrophobicContact CB-CB 4.12Å
610	K	88.4	Confident	86.3	Confident	157 Å²	157	65.5 Å²	65.5	68%	0.683	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.8	175.8	-167.9	175	-174.3	172.8	0	110.7	T656 V657	K610-T656 CarbonylContact O-C 3.55Å; K610-T656 WeakPolarHBondContact O-CA 3.05Å; K610-V657 PolarHBondContact N-O 2.89Å; K610-V657 PolarHBondContact O-N 3.17Å
611	V	89.3	Confident	85.2	Confident	23 Å²	23	72 Å²	72	14%	0.139	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.3	177.5	179.6	0	0	0	0	110.8	P604 D636 C654 Q655 T656	P604-V611 HydrophobicContact CB-CG2 4.13Å; P604-V611 HydrophobicContact CG-CG2 4.11Å; V611-D636 WeakPolarHBondContact CG2-O 3.38Å; V611-C654 WeakPolarHBondContact CG1-SG 3.45Å; V611-Q655 CarbonylContact C-O 3.46Å; V611-Q655 WeakPolarHBondContact CA-O 3.23Å; V611-T656 HydrophobicContact CG2-CG2 4.16Å
612	I	90.7	Very high	84.6	Confident	42 Å²	42	75.4 Å²	75.4	22%	0.215	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.5	176.7	-49.3	-177.1	0	0	0	108.5	F614 E625 Q655 V657	I612-F614 HydrophobicContact CB-CE2 4.37Å; I612-F614 HydrophobicContact CG2-CD2 4.41Å; I612-F614 HydrophobicContact CG2-CE2 3.69Å; I612-F614 HydrophobicContact CG2-CZ 4.09Å; I612-E625 HydrophobicContact CG2-CG 4.25Å; I612-Q655 PolarHBondContact N-O 2.85Å; I612-Q655 PolarHBondContact O-N 3.22Å; I612-V657 HydrophobicContact CD1-CB 4.33Å; I612-V657 HydrophobicContact CD1-CG2 3.42Å; I612-V657 VanDerWaalsContact CD1-CG2 3.42Å; I612-V657 HydrophobicContact CG1-CG2 4.13Å
613	W	93.1	Very high	84.5	Confident	1 Å²	1	79.5 Å²	79.5	0%	0.004	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.6	-177	-74.1	93.1	0	0	0	111.6	L600 C602 E625 V626 L639 F653 C654 I668	L600-W613 HydrophobicContact CB-CH2 3.96Å; L600-W613 HydrophobicContact CB-CZ3 4.4Å; L600-W613 WeakPolarHBondContact O-CZ2 3.31Å; C602-W613 HydrophobicContact CB-CH2 3.79Å; C602-W613 HydrophobicContact CB-CZ2 3.42Å; C602-W613 VanDerWaalsContact CB-CZ2 3.42Å; W613-E625 WeakPolarHBondContact O-CG 3.45Å; W613-V626 HydrophobicContact CB-CB 3.97Å; W613-V626 HydrophobicContact CB-CG2 3.72Å; W613-V626 PolarHBondContact O-N 2.88Å; W613-L639 HydrophobicContact CD2-CB 3.95Å; W613-L639 HydrophobicContact CD2-CD2 4.31Å; W613-L639 HydrophobicContact CE3-CB 4.49Å; W613-L639 HydrophobicContact CE3-CD2 4.45Å; W613-L639 HydrophobicContact CG-CB 4.27Å; W613-L639 HydrophobicContact CG-CD2 4.37Å; W613-L639 HydrophobicContact CH2-CB 4.48Å; W613-L639 HydrophobicContact CZ2-CB 3.96Å; W613-F653 WeakPolarHBondContact CA-O 3.25Å; W613-C654 HydrophobicContact CD2-CB 4.37Å; W613-C654 HydrophobicContact CE3-CB 4.09Å; W613-C654 HydrophobicContact CH2-CB 3.74Å; W613-C654 HydrophobicContact CZ2-CB 4Å; W613-C654 HydrophobicContact CZ3-CB 3.78Å; W613-I668 HydrophobicContact CH2-CD1 3.71Å; W613-I668 HydrophobicContact CZ3-CD1 4Å
614	F	93	Very high	84.7	Confident	47 Å²	47	79.6 Å²	79.6	21%	0.206	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149.5	169.2	-64.6	-93.5	0	0	0	110.3	I612 K623 E624 E625 Y652 F653 Q655	I612-F614 HydrophobicContact CB-CE2 4.37Å; I612-F614 HydrophobicContact CG2-CD2 4.41Å; I612-F614 HydrophobicContact CG2-CE2 3.69Å; I612-F614 HydrophobicContact CG2-CZ 4.09Å; F614-K623 HydrophobicContact CB-CB 4.24Å; F614-K623 HydrophobicContact CD1-CB 4.46Å; F614-E624 CarbonylContact C-O 3.42Å; F614-E624 WeakPolarHBondContact CA-O 3.2Å; F614-E625 HydrophobicContact CD1-CB 4.18Å; F614-E625 HydrophobicContact CE1-CB 3.97Å; F614-E625 HydrophobicContact CE1-CG 4.38Å; F614-Y652 CarbonylContact O-C 3.56Å; F614-Y652 VanDerWaalsContact O-CA 3.28Å; F614-Y652 WeakPolarHBondContact O-CA 3.27Å; F614-F653 HydrophobicContact CB-CB 4.3Å; F614-F653 PolarHBondContact N-O 3.43Å; F614-F653 PolarHBondContact O-N 3.49Å; F614-Q655 HydrophobicContact CD2-CG 4.18Å; F614-Q655 HydrophobicContact CE2-CG 4.44Å
615	V	93.1	Very high	85	Confident	14 Å²	14	83.7 Å²	83.7	9%	0.085	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	144.3	175.2	63.9	0	0	0	0	110.1	K617 E624 V626 T651 Y652	V615-K617 HydrophobicContact CG2-CG 3.95Å; V615-E624 PolarHBondContact N-O 3.32Å; V615-E624 PolarHBondContact O-N 2.9Å; V615-V626 HydrophobicContact CB-CG2 3.95Å; V615-V626 HydrophobicContact CG1-CG2 4.1Å; V615-T651 CarbonylContact C-O 3.52Å; V615-T651 WeakPolarHBondContact CA-O 3.19Å; V615-Y652 HydrophobicContact CB-CD1 3.96Å; V615-Y652 HydrophobicContact CB-CE1 3.81Å; V615-Y652 HydrophobicContact CG2-CD1 4.03Å; V615-Y652 HydrophobicContact CG2-CD2 4.28Å; V615-Y652 HydrophobicContact CG2-CE1 3.68Å; V615-Y652 HydrophobicContact CG2-CE2 3.93Å; V615-Y652 HydrophobicContact CG2-CG 4.31Å
616	Q	91.8	Very high	85.7	Confident	53 Å²	53	77.4 Å²	77.4	25%	0.248	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	112.7	170.3	-176.8	177.7	12	0	0	107.7	E620 T651 F653	Q616-E620 VanDerWaalsContact CG-O 3.3Å; Q616-E620 WeakPolarHBondContact CG-O 3.44Å; Q616-E620 PolarHBondContact NE2-O 3.12Å; Q616-T651 PolarHBondContact N-O 2.89Å; Q616-T651 PolarHBondContact O-N 2.95Å; Q616-F653 HydrophobicContact CB-CE2 3.83Å
617	K	87.2	Confident	85.9	Confident	79 Å²	79	85.4 Å²	85.4	34%	0.343	41%	0.411	S	S	.	.			trans	-96.8	130.3	-177	-62.9	-168.8	179.2	-161	0	110.6	V615 R619 E620 S647	V615-K617 HydrophobicContact CG2-CG 3.95Å; K617-R619 PolarHBondContact O-N 3.31Å; K617-E620 WeakPolarHBondContact O-CB 3.46Å; K617-E620 WeakPolarHBondContact O-CG 3.4Å; K617-E620 PolarHBondContact O-N 3.01Å; K617-S647 PolarHBondContact NZ-O 3.12Å
618	G	75.8	Confident	86	Confident	77 Å²	77	85.8 Å²	85.8	79%	0.794	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	-126.2	174.3	0	0	0	0	0	114.5
619	R	67.2	Low	86	Confident	251 Å²	251	86.7 Å²	86.7	95%	0.947	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	9.9	179.2	-68.7	-175.2	179.7	177.9	0.6	113.6	K617	K617-R619 PolarHBondContact O-N 3.31Å
620	E	74.1	Confident	86	Confident	107 Å²	107	93.8 Å²	93.8	50%	0.5	46%	0.459	S	S	.	.			trans	-65.7	136.8	179.1	-68	177.2	164.3	0	0	110.4	Q616 K617	Q616-E620 VanDerWaalsContact CG-O 3.3Å; Q616-E620 WeakPolarHBondContact CG-O 3.44Å; Q616-E620 PolarHBondContact NE2-O 3.12Å; K617-E620 WeakPolarHBondContact O-CB 3.46Å; K617-E620 WeakPolarHBondContact O-CG 3.4Å; K617-E620 PolarHBondContact O-N 3.01Å
621	T	70.1	Confident	86.2	Confident	138 Å²	138	88.9 Å²	88.9	85%	0.847	44%	0.436	S	S	*	.			trans	-85.3	-20.1	179.7	49.1	0	0	0	0	112.6
622	R	80.3	Confident	86.3	Confident	187 Å²	187	88.1 Å²	88.1	71%	0.706	43%	0.431	S	S	*	.	S	Bend	trans	-91.2	132.7	-176.3	-170.6	173.8	177.4	166.1	-1.6	110.5
623	K	87	Confident	86.4	Confident	88 Å²	88	89 Å²	89	38%	0.383	44%	0.438	S	S	.	.			trans	-83.1	129.9	168.1	-60.5	-178.1	-175.5	-174.8	0	108.6	F614 F653	F614-K623 HydrophobicContact CB-CB 4.24Å; F614-K623 HydrophobicContact CD1-CB 4.46Å; K623-F653 HydrophobicContact CD-CD2 3.99Å; K623-F653 HydrophobicContact CD-CE2 4.01Å; K623-F653 HydrophobicContact CD-CG 4.34Å; K623-F653 HydrophobicContact CD-CZ 4.35Å; K623-F653 HydrophobicContact CG-CD2 4.4Å; K623-F653 HydrophobicContact CG-CE2 4.19Å
624	E	90.4	Very high	86.2	Confident	100 Å²	100	92.4 Å²	92.4	47%	0.467	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.9	174.6	-60.7	-162.5	160.1	0	0	110.1	F614 V615 V626	F614-E624 CarbonylContact C-O 3.42Å; F614-E624 WeakPolarHBondContact CA-O 3.2Å; V615-E624 PolarHBondContact N-O 3.32Å; V615-E624 PolarHBondContact O-N 2.9Å; E624-V626 PolarHBondContact O-N 2.93Å
625	E	91.4	Very high	85.9	Confident	104 Å²	104	94.7 Å²	94.7	49%	0.486	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	134.1	173.6	-164.6	-173.2	155.1	0	0	109.2	I612 W613 F614 K627 K634	I612-E625 HydrophobicContact CG2-CG 4.25Å; W613-E625 WeakPolarHBondContact O-CG 3.45Å; F614-E625 HydrophobicContact CD1-CB 4.18Å; F614-E625 HydrophobicContact CE1-CB 3.97Å; F614-E625 HydrophobicContact CE1-CG 4.38Å; E625-K627 PolarHBondContact O-N 3.26Å; E625-K634 IonicContact OE1-NZ 2.7Å; E625-K634 PolarHBondContact OE1-NZ 3.47Å
626	V	91.4	Very high	85.2	Confident	9 Å²	9	100.9 Å²	100.9	6%	0.055	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-61.3	121.7	177.8	176.1	0	0	0	0	109	W613 V615 E624 V632 K634 L639 Y652	W613-V626 HydrophobicContact CB-CB 3.97Å; W613-V626 HydrophobicContact CB-CG2 3.72Å; W613-V626 PolarHBondContact O-N 2.88Å; V615-V626 HydrophobicContact CB-CG2 3.95Å; V615-V626 HydrophobicContact CG1-CG2 4.1Å; E624-V626 PolarHBondContact O-N 2.93Å; V626-V632 HydrophobicContact CG1-CG1 4.15Å; V626-K634 WeakPolarHBondContact O-CE 3.35Å; V626-K634 PolarHBondContact O-NZ 2.86Å; V626-L639 HydrophobicContact CG1-CD1 4.12Å; V626-L639 HydrophobicContact CG1-CD2 3.95Å; V626-L639 HydrophobicContact CG2-CD2 4.26Å; V626-Y652 HydrophobicContact CG2-CD1 3.9Å; V626-Y652 HydrophobicContact CG2-CE1 3.91Å
627	K	88.6	Confident	84.9	Confident	174 Å²	174	103.4 Å²	103.4	76%	0.757	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-83.7	132.4	172.4	-61.9	-178.3	-176	174	0	108.9	E625	E625-K627 PolarHBondContact O-N 3.26Å
628	T	88.3	Confident	85	Confident	84 Å²	84	99.6 Å²	99.6	52%	0.515	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-84.4	144.9	173.5	50.6	0	0	0	0	109.9	V632 K634	T628-V632 WeakPolarHBondContact CA-O 3.43Å; T628-V632 VanDerWaalsContact CB-O 3.3Å; T628-V632 WeakPolarHBondContact CB-O 3.24Å; T628-V632 WeakPolarHBondContact CG2-O 3.02Å; T628-K634 HydrophobicContact CG2-CB 4.2Å; T628-K634 HydrophobicContact CG2-CD 3.76Å; T628-K634 HydrophobicContact CG2-CG 3.61Å
629	D	87.4	Confident	85.9	Confident	72 Å²	72	96 Å²	96	39%	0.385	46%	0.459	S	S	.	.			trans	-139.4	-172.4	172.4	67.8	13.3	0	0	0	108.5	R631 V632	D629-R631 PolarHBondContact O-N 2.95Å; D629-R631 VanDerWaalsContact OD1-CA 3.3Å; D629-R631 WeakPolarHBondContact OD1-CA 3.2Å; D629-R631 VanDerWaalsContact OD1-CB 3.31Å; D629-R631 WeakPolarHBondContact OD1-CB 3.48Å; D629-R631 PolarHBondContact OD1-N 3.28Å; D629-R631 IonicContact OD1-NE 3.69Å; D629-R631 IonicContact OD2-CZ 2.77Å; D629-R631 IonicContact OD2-NE 3.82Å; D629-R631 PolarHBondContact OD2-NE 2.94Å; D629-R631 IonicContact OD2-NH2 3.89Å; D629-R631 PolarHBondContact OD2-NH2 3.24Å; D629-V632 PolarHBondContact N-O 3.19Å; D629-V632 PolarHBondContact O-N 3.23Å; D629-V632 WeakPolarHBondContact OD1-CG2 3.45Å; D629-V632 PolarHBondContact OD1-N 2.78Å
630	D	87.9	Confident	87.2	Confident	163 Å²	163	86 Å²	86	87%	0.872	42%	0.424	S	S	*	.	S	Bend	trans	-62.2	-13.4	179.1	-60.9	-23.2	0	0	0	113.7
631	R	92.3	Very high	88.1	Confident	54 Å²	54	81 Å²	81	20%	0.204	40%	0.4	C	S	.	.	S	Bend	trans	-103.6	-27.7	177.9	-52.5	174.9	-60	115.4	3.2	112.5	D629 F641 L642 R643 H645 D648	D629-R631 PolarHBondContact O-N 2.95Å; D629-R631 VanDerWaalsContact OD1-CA 3.3Å; D629-R631 WeakPolarHBondContact OD1-CA 3.2Å; D629-R631 VanDerWaalsContact OD1-CB 3.31Å; D629-R631 WeakPolarHBondContact OD1-CB 3.48Å; D629-R631 PolarHBondContact OD1-N 3.28Å; D629-R631 IonicContact OD1-NE 3.69Å; D629-R631 IonicContact OD2-CZ 2.77Å; D629-R631 IonicContact OD2-NE 3.82Å; D629-R631 PolarHBondContact OD2-NE 2.94Å; D629-R631 IonicContact OD2-NH2 3.89Å; D629-R631 PolarHBondContact OD2-NH2 3.24Å; R631-F641 CarbonylContact O-C 3.53Å; R631-F641 WeakPolarHBondContact O-CA 3.26Å; R631-L642 WeakPolarHBondContact O-CB 3.33Å; R631-L642 PolarHBondContact O-N 3.08Å; R631-R643 HydrophobicContact CG-CB 4.37Å; R631-R643 PolarHBondContact NH1-O 2.97Å; R631-H645 PolarHBondContact NH1-CD2 3.44Å; R631-D648 IonicContact CZ-OD2 3.56Å; R631-D648 IonicContact NH1-OD2 3.95Å; R631-D648 PolarHBondContact NH1-OD2 3.02Å; R631-D648 IonicContact NH2-OD1 3.41Å; R631-D648 IonicContact NH2-OD2 2.92Å
632	V	92.1	Very high	89.2	Confident	6 Å²	6	78.8 Å²	78.8	4%	0.036	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	111.1	-172.1	-175.1	0	0	0	0	110.9	V626 T628 D629 L639 L640 F641	V626-V632 HydrophobicContact CG1-CG1 4.15Å; T628-V632 WeakPolarHBondContact CA-O 3.43Å; T628-V632 VanDerWaalsContact CB-O 3.3Å; T628-V632 WeakPolarHBondContact CB-O 3.24Å; T628-V632 WeakPolarHBondContact CG2-O 3.02Å; D629-V632 PolarHBondContact N-O 3.19Å; D629-V632 PolarHBondContact O-N 3.23Å; D629-V632 WeakPolarHBondContact OD1-CG2 3.45Å; D629-V632 PolarHBondContact OD1-N 2.78Å; V632-L639 HydrophobicContact CG1-CD1 3.71Å; V632-L639 HydrophobicContact CG1-CG 4.19Å; V632-L640 WeakPolarHBondContact CA-O 3.17Å; V632-F641 HydrophobicContact CG1-CE1 4.18Å; V632-F641 HydrophobicContact CG1-CZ 4.38Å; V632-F641 HydrophobicContact CG2-CD1 3.59Å; V632-F641 HydrophobicContact CG2-CE1 3.6Å
633	V	91.4	Very high	89.7	Confident	61 Å²	61	76.5 Å²	76.5	37%	0.37	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.2	-176.9	-175.8	0	0	0	0	110.1	M635 L640 L642	V633-M635 HydrophobicContact CG1-CG 4.25Å; V633-L640 HydrophobicContact CB-CB 4.44Å; V633-L640 PolarHBondContact N-O 2.8Å; V633-L640 PolarHBondContact O-N 3.15Å; V633-L642 HydrophobicContact CG2-CD1 4.12Å; V633-L642 HydrophobicContact CG2-CG 4.43Å
634	K	89.8	Confident	90	Very high	73 Å²	73	72.3 Å²	72.3	32%	0.317	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.2	168.9	-74.5	175	-177.6	173.6	0	109	E625 V626 T628 L639	E625-K634 IonicContact OE1-NZ 2.7Å; E625-K634 PolarHBondContact OE1-NZ 3.47Å; V626-K634 WeakPolarHBondContact O-CE 3.35Å; V626-K634 PolarHBondContact O-NZ 2.86Å; T628-K634 HydrophobicContact CG2-CB 4.2Å; T628-K634 HydrophobicContact CG2-CD 3.76Å; T628-K634 HydrophobicContact CG2-CG 3.61Å; K634-L639 HydrophobicContact CG-CD1 3.82Å
635	M	85.5	Confident	90	Very high	94 Å²	94	70.8 Å²	70.8	46%	0.463	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	161.2	176.8	-55.3	178.8	71.2	0	0	109.7	L599 V633 L637 G638 L640	L599-M635 HydrophobicContact CD1-SD 4.44Å; V633-M635 HydrophobicContact CG1-CG 4.25Å; M635-L637 PolarHBondContact O-N 3.27Å; M635-G638 CarbonylContact C-O 3.54Å; M635-G638 WeakPolarHBondContact CA-O 3.47Å; M635-G638 WeakPolarHBondContact CB-O 3.48Å; M635-G638 PolarHBondContact N-O 3.34Å; M635-G638 PolarHBondContact O-N 3.12Å; M635-L640 HydrophobicContact SD-CB 3.85Å; M635-L640 HydrophobicContact SD-CD2 4.14Å
636	D	80.2	Confident	90	Very high	145 Å²	145	71.6 Å²	71.6	78%	0.775	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.1	-179.7	-60.9	-28.6	0	0	0	113.4	V611	V611-D636 WeakPolarHBondContact CG2-O 3.38Å
637	L	84.4	Confident	89.9	Confident	105 Å²	105	75 Å²	75	55%	0.55	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	9.5	-177.8	-60.8	177.3	0	0	0	113.6	C602 T603 M635	C602-L637 CarbonylContact C-O 3.47Å; C602-L637 PolarHBondContact N-O 2.92Å; C602-L637 CarbonylContact O-C 3.6Å; C602-L637 WeakPolarHBondContact O-CA 3.38Å; C602-L637 VanDerWaalsContact O-O 3.08Å; T603-L637 HydrophobicContact CG2-CD2 4.26Å; M635-L637 PolarHBondContact O-N 3.27Å
638	G	90.4	Very high	90	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.6	-179.7	-176.6	0	0	0	0	0	116.4	L600 M635	L600-G638 CarbonylContact O-C 3.45Å; L600-G638 WeakPolarHBondContact O-CA 3.47Å; M635-G638 CarbonylContact C-O 3.54Å; M635-G638 WeakPolarHBondContact CA-O 3.47Å; M635-G638 WeakPolarHBondContact CB-O 3.48Å; M635-G638 PolarHBondContact N-O 3.34Å; M635-G638 PolarHBondContact O-N 3.12Å
639	L	93.8	Very high	90.2	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112.9	172.4	-175.5	69.6	0	0	0	109.1	L600 W613 V626 V632 K634 F641 Y652	L600-L639 HydrophobicContact CB-CB 4.28Å; L600-L639 HydrophobicContact CD1-CD2 4.4Å; L600-L639 PolarHBondContact N-O 2.92Å; L600-L639 PolarHBondContact O-N 3.25Å; W613-L639 HydrophobicContact CD2-CB 3.95Å; W613-L639 HydrophobicContact CD2-CD2 4.31Å; W613-L639 HydrophobicContact CE3-CB 4.49Å; W613-L639 HydrophobicContact CE3-CD2 4.45Å; W613-L639 HydrophobicContact CG-CB 4.27Å; W613-L639 HydrophobicContact CG-CD2 4.37Å; W613-L639 HydrophobicContact CH2-CB 4.48Å; W613-L639 HydrophobicContact CZ2-CB 3.96Å; V626-L639 HydrophobicContact CG1-CD1 4.12Å; V626-L639 HydrophobicContact CG1-CD2 3.95Å; V626-L639 HydrophobicContact CG2-CD2 4.26Å; V632-L639 HydrophobicContact CG1-CD1 3.71Å; V632-L639 HydrophobicContact CG1-CG 4.19Å; K634-L639 HydrophobicContact CG-CD1 3.82Å; L639-F641 HydrophobicContact CD2-CE2 3.66Å; L639-F641 HydrophobicContact CD2-CZ 3.82Å; L639-F641 HydrophobicContact CG-CE2 3.92Å; L639-F641 HydrophobicContact CG-CZ 4.37Å; L639-Y652 HydrophobicContact CD2-CD1 3.8Å; L639-Y652 HydrophobicContact CD2-CE1 3.83Å
640	L	94	Very high	90.5	Very high	41 Å²	41	62 Å²	62	22%	0.215	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.5	-178.3	178.5	64.3	0	0	0	110.6	L599 V632 V633 M635 L642	L599-L640 HydrophobicContact CB-CD1 4.18Å; L599-L640 HydrophobicContact CD1-CB 4.06Å; L599-L640 HydrophobicContact CD1-CD1 4.41Å; V632-L640 WeakPolarHBondContact CA-O 3.17Å; V633-L640 HydrophobicContact CB-CB 4.44Å; V633-L640 PolarHBondContact N-O 2.8Å; V633-L640 PolarHBondContact O-N 3.15Å; M635-L640 HydrophobicContact SD-CB 3.85Å; M635-L640 HydrophobicContact SD-CD2 4.14Å; L640-L642 HydrophobicContact CD2-CD2 3.8Å; L640-L642 HydrophobicContact CG-CD2 4.21Å
641	F	94.6	Very high	90.8	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.009	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.2	163.8	-65.1	-97.8	0	0	0	107.8	S597 T598 L600 R631 V632 L639 L644 D648 Y652 L670	S597-F641 CarbonylContact C-O 3.55Å; S597-F641 WeakPolarHBondContact CA-O 3.44Å; T598-F641 PolarHBondContact N-O 2.96Å; T598-F641 PolarHBondContact O-N 2.96Å; L600-F641 HydrophobicContact CD1-CE2 3.87Å; L600-F641 HydrophobicContact CG-CD2 4.47Å; L600-F641 HydrophobicContact CG-CE2 4.11Å; R631-F641 CarbonylContact O-C 3.53Å; R631-F641 WeakPolarHBondContact O-CA 3.26Å; V632-F641 HydrophobicContact CG1-CE1 4.18Å; V632-F641 HydrophobicContact CG1-CZ 4.38Å; V632-F641 HydrophobicContact CG2-CD1 3.59Å; V632-F641 HydrophobicContact CG2-CE1 3.6Å; L639-F641 HydrophobicContact CD2-CE2 3.66Å; L639-F641 HydrophobicContact CD2-CZ 3.82Å; L639-F641 HydrophobicContact CG-CE2 3.92Å; L639-F641 HydrophobicContact CG-CZ 4.37Å; F641-L644 HydrophobicContact CB-CD1 3.73Å; F641-L644 HydrophobicContact CD1-CD1 3.65Å; F641-L644 HydrophobicContact CD2-CD1 4.15Å; F641-L644 HydrophobicContact CE1-CD1 4.32Å; F641-L644 HydrophobicContact CG-CD1 3.57Å; F641-D648 HydrophobicContact CD1-CB 4.38Å; F641-D648 HydrophobicContact CE1-CB 3.93Å; F641-Y652 HydrophobicContact CE2-CE1 4.45Å; F641-Y652 AromaticContact CZ-CE1 3.84Å; F641-Y652 HydrophobicContact CZ-CE1 3.84Å; F641-Y652 AromaticContact CZ-CZ 3.74Å; F641-Y652 WeakPolarHBondContact CZ-OH 3.43Å; F641-L670 HydrophobicContact CE2-CD2 4.5Å
642	L	92.8	Very high	90.8	Very high	92 Å²	92	53.2 Å²	53.2	48%	0.482	28%	0.276	S	S	.	.	S	Bend	trans	-73.6	-34.6	172.9	-63.5	173.7	0	0	0	111.2	R631 V633 L640	R631-L642 WeakPolarHBondContact O-CB 3.33Å; R631-L642 PolarHBondContact O-N 3.08Å; V633-L642 HydrophobicContact CG2-CD1 4.12Å; V633-L642 HydrophobicContact CG2-CG 4.43Å; L640-L642 HydrophobicContact CD2-CD2 3.8Å; L640-L642 HydrophobicContact CG-CD2 4.21Å
643	R	90.7	Very high	90.8	Very high	140 Å²	140	53.5 Å²	53.5	53%	0.528	28%	0.277	S	S	.	.	S	Bend	trans	-142.4	112.4	174.1	-170.7	178.6	-67.5	156.4	0.7	110.4	R631	R631-R643 HydrophobicContact CG-CB 4.37Å; R631-R643 PolarHBondContact NH1-O 2.97Å
644	L	91.9	Very high	90.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.			trans	-83.3	134.6	-176.4	-158.3	67.1	0	0	0	112.3	G592 N595 N596 F641 D648 L670 V672	G592-L644 VanDerWaalsContact CA-CD2 3.43Å; N595-L644 PolarHBondContact N-O 3.48Å; N596-L644 WeakPolarHBondContact O-CB 3.3Å; N596-L644 PolarHBondContact O-N 2.76Å; F641-L644 HydrophobicContact CB-CD1 3.73Å; F641-L644 HydrophobicContact CD1-CD1 3.65Å; F641-L644 HydrophobicContact CD2-CD1 4.15Å; F641-L644 HydrophobicContact CE1-CD1 4.32Å; F641-L644 HydrophobicContact CG-CD1 3.57Å; L644-D648 HydrophobicContact CD1-CB 4.07Å; L644-L670 HydrophobicContact CD1-CD2 3.98Å; L644-L670 HydrophobicContact CD2-CD1 4.44Å; L644-V672 HydrophobicContact CD2-CB 4.46Å; L644-V672 HydrophobicContact CD2-CG1 4.05Å; L644-V672 HydrophobicContact CD2-CG2 3.84Å; L644-V672 HydrophobicContact CG-CG1 4.27Å; L644-V672 HydrophobicContact CG-CG2 4.03Å
645	H	92.1	Very high	90.9	Very high	67 Å²	67	48.7 Å²	48.7	31%	0.31	25%	0.252	S	S	.	.			trans	-115.8	155.1	172.9	-76.3	-106.7	0	0	0	111.2	R631 S647 D648	R631-H645 PolarHBondContact NH1-CD2 3.44Å; H645-S647 PolarHBondContact O-N 2.82Å; H645-S647 VanDerWaalsContact O-N 3.08Å; H645-D648 PolarHBondContact N-OD2 3.05Å; H645-D648 VanDerWaalsContact O-CB 3.26Å; H645-D648 WeakPolarHBondContact O-CB 3.48Å; H645-D648 PolarHBondContact O-N 2.91Å
646	K	89.8	Confident	91	Very high	122 Å²	122	45 Å²	45	53%	0.53	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-53.9	-30.6	175.1	-170.2	174.9	178.8	176.8	0	114.2	E594 D648 A649 E674	E594-K646 PolarHBondContact OE1-N 3.37Å; K646-D648 PolarHBondContact O-N 3.27Å; K646-A649 WeakPolarHBondContact O-CB 3.38Å; K646-A649 PolarHBondContact O-N 2.94Å; K646-E674 WeakPolarHBondContact CE-OE1 3.42Å; K646-E674 IonicContact NZ-OE1 2.66Å; K646-E674 PolarHBondContact NZ-OE1 2.86Å
647	S	89.6	Confident	91.4	Very high	79 Å²	79	39.9 Å²	39.9	55%	0.552	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-69.7	-11.2	175.8	56	0	0	0	0	114.8	K617 H645 A649	K617-S647 PolarHBondContact NZ-O 3.12Å; H645-S647 PolarHBondContact O-N 2.82Å; H645-S647 VanDerWaalsContact O-N 3.08Å; S647-A649 VanDerWaalsContact C-N 3.33Å
648	D	91.4	Very high	91.6	Very high	10 Å²	10	35.7 Å²	35.7	5%	0.053	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-87.4	-7.2	178.9	-57.6	-31.3	0	0	0	111.6	R631 F641 L644 H645 K646 Y652	R631-D648 IonicContact CZ-OD2 3.56Å; R631-D648 IonicContact NH1-OD2 3.95Å; R631-D648 PolarHBondContact NH1-OD2 3.02Å; R631-D648 IonicContact NH2-OD1 3.41Å; R631-D648 IonicContact NH2-OD2 2.92Å; F641-D648 HydrophobicContact CD1-CB 4.38Å; F641-D648 HydrophobicContact CE1-CB 3.93Å; L644-D648 HydrophobicContact CD1-CB 4.07Å; H645-D648 PolarHBondContact N-OD2 3.05Å; H645-D648 VanDerWaalsContact O-CB 3.26Å; H645-D648 WeakPolarHBondContact O-CB 3.48Å; H645-D648 PolarHBondContact O-N 2.91Å; K646-D648 PolarHBondContact O-N 3.27Å; D648-Y652 VanDerWaalsContact O-CE2 3.31Å; D648-Y652 WeakPolarHBondContact O-CE2 3.29Å; D648-Y652 PolarHBondContact O-OH 3.47Å
649	A	92.7	Very high	91.3	Very high	37 Å²	37	39.3 Å²	39.3	31%	0.306	20%	0.203	S	C	.	.			trans	-60	137.6	172.1	0	0	0	0	0	111.6	K646 S647 L670 V672	K646-A649 WeakPolarHBondContact O-CB 3.38Å; K646-A649 PolarHBondContact O-N 2.94Å; S647-A649 VanDerWaalsContact C-N 3.33Å; A649-L670 WeakPolarHBondContact CA-O 3.42Å; A649-V672 HydrophobicContact CB-CB 4.47Å; A649-V672 HydrophobicContact CB-CG2 3.96Å
650	G	93.1	Very high	90.7	Very high	12 Å²	12	44.7 Å²	44.7	12%	0.124	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.5	-177.4	-177.8	0	0	0	0	0	112.9	L670	G650-L670 PolarHBondContact N-O 3.21Å; G650-L670 VanDerWaalsContact N-O 3.13Å; G650-L670 PolarHBondContact O-N 3.44Å
651	T	93.4	Very high	90.3	Very high	26 Å²	26	43.8 Å²	43.8	16%	0.16	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	116.4	175.8	-57.7	0	0	0	0	110.1	V615 Q616 F653 K667 I668	V615-T651 CarbonylContact C-O 3.52Å; V615-T651 WeakPolarHBondContact CA-O 3.19Å; Q616-T651 PolarHBondContact N-O 2.89Å; Q616-T651 PolarHBondContact O-N 2.95Å; T651-F653 HydrophobicContact CG2-CE1 4.38Å; T651-F653 HydrophobicContact CG2-CE2 3.87Å; T651-F653 HydrophobicContact CG2-CZ 3.77Å; T651-K667 HydrophobicContact CG2-CD 4.09Å; T651-K667 VanDerWaalsContact CG2-CE 3.5Å; T651-K667 HydrophobicContact CG2-CG 3.53Å; T651-I668 CarbonylContact C-O 3.57Å; T651-I668 WeakPolarHBondContact CA-O 3.41Å
652	Y	93.8	Very high	89.8	Confident	5 Å²	5	47.3 Å²	47.3	2%	0.02	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	136.6	176.9	-67.8	-97.8	0	0	0	110.4	L600 F614 V615 V626 L639 F641 D648 K667 I668 L670	L600-Y652 HydrophobicContact CD1-CD1 4.08Å; L600-Y652 HydrophobicContact CD1-CD2 3.77Å; L600-Y652 HydrophobicContact CD1-CE2 4.26Å; L600-Y652 HydrophobicContact CD1-CG 3.69Å; F614-Y652 CarbonylContact O-C 3.56Å; F614-Y652 VanDerWaalsContact O-CA 3.28Å; F614-Y652 WeakPolarHBondContact O-CA 3.27Å; V615-Y652 HydrophobicContact CB-CD1 3.96Å; V615-Y652 HydrophobicContact CB-CE1 3.81Å; V615-Y652 HydrophobicContact CG2-CD1 4.03Å; V615-Y652 HydrophobicContact CG2-CD2 4.28Å; V615-Y652 HydrophobicContact CG2-CE1 3.68Å; V615-Y652 HydrophobicContact CG2-CE2 3.93Å; V615-Y652 HydrophobicContact CG2-CG 4.31Å; V626-Y652 HydrophobicContact CG2-CD1 3.9Å; V626-Y652 HydrophobicContact CG2-CE1 3.91Å; L639-Y652 HydrophobicContact CD2-CD1 3.8Å; L639-Y652 HydrophobicContact CD2-CE1 3.83Å; F641-Y652 HydrophobicContact CE2-CE1 4.45Å; F641-Y652 AromaticContact CZ-CE1 3.84Å; F641-Y652 HydrophobicContact CZ-CE1 3.84Å; F641-Y652 AromaticContact CZ-CZ 3.74Å; F641-Y652 WeakPolarHBondContact CZ-OH 3.43Å; D648-Y652 VanDerWaalsContact O-CE2 3.31Å; D648-Y652 WeakPolarHBondContact O-CE2 3.29Å; D648-Y652 PolarHBondContact O-OH 3.47Å; Y652-K667 CarbonylContact O-C 3.48Å; Y652-K667 WeakPolarHBondContact O-CA 3.34Å; Y652-I668 PolarHBondContact N-O 2.91Å; Y652-I668 PolarHBondContact O-N 3.38Å; Y652-L670 HydrophobicContact CD2-CB 4.03Å; Y652-L670 HydrophobicContact CE2-CB 3.92Å; Y652-L670 HydrophobicContact CE2-CD2 3.88Å
653	F	92.5	Very high	89.4	Confident	13 Å²	13	44.7 Å²	44.7	6%	0.057	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115.5	176.1	-58.7	-94.7	0	0	0	107.8	W613 F614 Q616 K623 T651 T664 K667	W613-F653 WeakPolarHBondContact CA-O 3.25Å; F614-F653 HydrophobicContact CB-CB 4.3Å; F614-F653 PolarHBondContact N-O 3.43Å; F614-F653 PolarHBondContact O-N 3.49Å; Q616-F653 HydrophobicContact CB-CE2 3.83Å; K623-F653 HydrophobicContact CD-CD2 3.99Å; K623-F653 HydrophobicContact CD-CE2 4.01Å; K623-F653 HydrophobicContact CD-CG 4.34Å; K623-F653 HydrophobicContact CD-CZ 4.35Å; K623-F653 HydrophobicContact CG-CD2 4.4Å; K623-F653 HydrophobicContact CG-CE2 4.19Å; T651-F653 HydrophobicContact CG2-CE1 4.38Å; T651-F653 HydrophobicContact CG2-CE2 3.87Å; T651-F653 HydrophobicContact CG2-CZ 3.77Å; F653-T664 HydrophobicContact CB-CG2 4.44Å; F653-T664 HydrophobicContact CD1-CG2 4.34Å; F653-K667 HydrophobicContact CD1-CB 4.41Å; F653-K667 HydrophobicContact CD1-CG 4.14Å; F653-K667 HydrophobicContact CE1-CD 3.86Å; F653-K667 HydrophobicContact CE1-CG 3.85Å; F653-K667 HydrophobicContact CZ-CD 4.45Å; F653-K667 HydrophobicContact CZ-CG 4.43Å
654	C	92.3	Very high	89.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	117.9	168.2	179.5	0	0	0	0	109	C602 V611 W613 T664 V665 R666	C602-C654 HydrophobicContact CB-CB 3.6Å; C602-C654 WeakPolarHBondContact CB-SG 3.33Å; C602-C654 WeakPolarHBondContact SG-CB 3.44Å; C602-C654 CovalentContact SG-SG 2Å; C602-C654 PolarHBondContact SG-SG 3.41Å; V611-C654 WeakPolarHBondContact CG1-SG 3.45Å; W613-C654 HydrophobicContact CD2-CB 4.37Å; W613-C654 HydrophobicContact CE3-CB 4.09Å; W613-C654 HydrophobicContact CH2-CB 3.74Å; W613-C654 HydrophobicContact CZ2-CB 4Å; W613-C654 HydrophobicContact CZ3-CB 3.78Å; C654-T664 CarbonylContact O-C 3.6Å; C654-T664 WeakPolarHBondContact O-CA 3.33Å; C654-V665 PolarHBondContact O-N 3.03Å; C654-R666 HydrophobicContact CB-CB 4.25Å; C654-R666 PolarHBondContact N-O 3.42Å; C654-R666 PolarHBondContact O-N 3.2Å
655	Q	90.2	Very high	88.9	Confident	33 Å²	33	40.8 Å²	40.8	15%	0.154	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.3	174.7	-60.8	-166.7	-28.6	0	0	110.5	V611 I612 F614 V662 H663 T664	V611-Q655 CarbonylContact C-O 3.46Å; V611-Q655 WeakPolarHBondContact CA-O 3.23Å; I612-Q655 PolarHBondContact N-O 2.85Å; I612-Q655 PolarHBondContact O-N 3.22Å; F614-Q655 HydrophobicContact CD2-CG 4.18Å; F614-Q655 HydrophobicContact CE2-CG 4.44Å; Q655-V662 HydrophobicContact CB-CG1 4.34Å; Q655-H663 CarbonylContact C-O 3.44Å; Q655-H663 WeakPolarHBondContact CA-O 3.38Å; Q655-T664 HydrophobicContact CG-CG2 4.36Å; Q655-T664 PolarHBondContact NE2-OG1 2.99Å
656	T	88.6	Confident	88.7	Confident	15 Å²	15	39.6 Å²	39.6	9%	0.092	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.2	173.5	49.7	0	0	0	0	109.9	P604 A609 K610 V611 V662 H663 V665	P604-T656 HydrophobicContact CB-CG2 3.71Å; A609-T656 HydrophobicContact CB-CG2 4.41Å; K610-T656 CarbonylContact O-C 3.55Å; K610-T656 WeakPolarHBondContact O-CA 3.05Å; V611-T656 HydrophobicContact CG2-CG2 4.16Å; T656-V662 WeakPolarHBondContact O-CA 3.26Å; T656-H663 PolarHBondContact N-O 3.32Å; T656-H663 PolarHBondContact O-N 3.31Å; T656-H663 PolarHBondContact OG1-O 3.43Å; T656-V665 HydrophobicContact CG2-CG2 3.42Å; T656-V665 VanDerWaalsContact CG2-CG2 3.42Å; T656-V665 WeakPolarHBondContact OG1-CG2 3.06Å
657	V	87.7	Confident	88.8	Confident	39 Å²	39	36.4 Å²	36.4	24%	0.236	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.5	176.1	-172.9	0	0	0	0	110	K610 I612 F661 V662	K610-V657 PolarHBondContact N-O 2.89Å; K610-V657 PolarHBondContact O-N 3.17Å; I612-V657 HydrophobicContact CD1-CB 4.33Å; I612-V657 HydrophobicContact CD1-CG2 3.42Å; I612-V657 VanDerWaalsContact CD1-CG2 3.42Å; I612-V657 HydrophobicContact CG1-CG2 4.13Å; V657-F661 VanDerWaalsContact CA-O 3.31Å; V657-F661 WeakPolarHBondContact CA-O 3.38Å; V657-V662 HydrophobicContact CG1-CG2 4.26Å; V657-V662 HydrophobicContact CG2-CB 4.5Å; V657-V662 HydrophobicContact CG2-CG1 4.25Å; V657-V662 HydrophobicContact CG2-CG2 3.93Å
658	E	88.1	Confident	89	Confident	16 Å²	16	32.7 Å²	32.7	8%	0.075	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	125.5	178.9	-172	-176.9	175	0	0	109.8	R32 L531 A609 S660 F661	R32-E658 IonicContact CZ-OE1 3.49Å; R32-E658 IonicContact CZ-OE2 3.3Å; R32-E658 IonicContact NE-OE1 2.74Å; R32-E658 IonicContact NH1-OE1 3.74Å; R32-E658 PolarHBondContact NH1-OE1 3.4Å; R32-E658 IonicContact NH1-OE2 2.71Å; R32-E658 PolarHBondContact NH1-OE2 3.42Å; R32-E658 IonicContact NH2-OE2 3.03Å; L531-E658 HydrophobicContact CD1-CB 4.44Å; L531-E658 HydrophobicContact CD2-CB 4.39Å; L531-E658 HydrophobicContact CD2-CG 4.12Å; A609-E658 HydrophobicContact CB-CB 4.12Å; E658-S660 PolarHBondContact O-N 2.9Å; E658-S660 VanDerWaalsContact O-N 3.14Å; E658-F661 PolarHBondContact N-O 3.33Å; E658-F661 WeakPolarHBondContact O-CA 3.18Å; E658-F661 VanDerWaalsContact O-CB 3.26Å; E658-F661 WeakPolarHBondContact O-CB 3.25Å; E658-F661 PolarHBondContact O-N 3.27Å
659	H	83.8	Confident	89.2	Confident	76 Å²	76	34.5 Å²	34.5	35%	0.352	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	45.5	-175.5	-62.8	88.2	0	0	0	113.1	L531 R533 F661	L531-H659 HydrophobicContact CD2-CB 3.87Å; R533-H659 PolarHBondContact NH1-NE2 2.87Å; H659-F661 PolarHBondContact O-N 3.41Å; H659-F661 VanDerWaalsContact O-N 3.07Å
660	S	82.4	Confident	89.3	Confident	114 Å²	114	32.9 Å²	32.9	80%	0.797	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	3.5	-176.2	-52.1	0	0	0	0	116.1	E658	E658-S660 PolarHBondContact O-N 2.9Å; E658-S660 VanDerWaalsContact O-N 3.14Å
661	F	84.4	Confident	89.3	Confident	21 Å²	21	36.6 Å²	36.6	9%	0.092	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125.8	170.1	-172.5	-99.4	0	0	0	110	A527 L531 A568 A569 V657 E658 H659 H663	A527-F661 HydrophobicContact CB-CD1 4.21Å; A527-F661 HydrophobicContact CB-CD2 4.43Å; A527-F661 HydrophobicContact CB-CE1 3.51Å; A527-F661 HydrophobicContact CB-CE2 3.78Å; A527-F661 HydrophobicContact CB-CZ 3.27Å; L531-F661 HydrophobicContact CD1-CB 4.26Å; L531-F661 HydrophobicContact CD1-CD1 3.88Å; L531-F661 HydrophobicContact CD1-CG 4.27Å; L531-F661 HydrophobicContact CD2-CB 4.33Å; A568-F661 HydrophobicContact CB-CB 4.43Å; A568-F661 HydrophobicContact CB-CD2 3.86Å; A568-F661 HydrophobicContact CB-CE2 4.32Å; A568-F661 HydrophobicContact CB-CG 4.13Å; A569-F661 HydrophobicContact CB-CD2 4.39Å; V657-F661 VanDerWaalsContact CA-O 3.31Å; V657-F661 WeakPolarHBondContact CA-O 3.38Å; E658-F661 PolarHBondContact N-O 3.33Å; E658-F661 WeakPolarHBondContact O-CA 3.18Å; E658-F661 VanDerWaalsContact O-CB 3.26Å; E658-F661 WeakPolarHBondContact O-CB 3.25Å; E658-F661 PolarHBondContact O-N 3.27Å; H659-F661 PolarHBondContact O-N 3.41Å; H659-F661 VanDerWaalsContact O-N 3.07Å; F661-H663 HydrophobicContact CD1-CB 4.38Å; F661-H663 HydrophobicContact CE1-CB 3.88Å
662	V	85.8	Confident	89.3	Confident	77 Å²	77	36.6 Å²	36.6	47%	0.467	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.2	-179.9	-174.9	0	0	0	0	109.5	Q655 T656 V657	Q655-V662 HydrophobicContact CB-CG1 4.34Å; T656-V662 WeakPolarHBondContact O-CA 3.26Å; V657-V662 HydrophobicContact CG1-CG2 4.26Å; V657-V662 HydrophobicContact CG2-CB 4.5Å; V657-V662 HydrophobicContact CG2-CG1 4.25Å; V657-V662 HydrophobicContact CG2-CG2 3.93Å
663	H	82.8	Confident	89.1	Confident	36 Å²	36	38.5 Å²	38.5	17%	0.167	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	141	179.2	177.5	-99.2	0	0	0	111.4	L582 Q655 T656 F661	L582-H663 WeakPolarHBondContact CD2-NE2 3.49Å; Q655-H663 CarbonylContact C-O 3.44Å; Q655-H663 WeakPolarHBondContact CA-O 3.38Å; T656-H663 PolarHBondContact N-O 3.32Å; T656-H663 PolarHBondContact O-N 3.31Å; T656-H663 PolarHBondContact OG1-O 3.43Å; F661-H663 HydrophobicContact CD1-CB 4.38Å; F661-H663 HydrophobicContact CE1-CB 3.88Å
664	T	86.4	Confident	88.9	Confident	31 Å²	31	39.9 Å²	39.9	19%	0.19	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	110.3	175.6	-54.7	0	0	0	0	109.4	T585 F653 C654 Q655	T585-T664 HydrophobicContact CG2-CG2 3.78Å; F653-T664 HydrophobicContact CB-CG2 4.44Å; F653-T664 HydrophobicContact CD1-CG2 4.34Å; C654-T664 CarbonylContact O-C 3.6Å; C654-T664 WeakPolarHBondContact O-CA 3.33Å; Q655-T664 HydrophobicContact CG-CG2 4.36Å; Q655-T664 PolarHBondContact NE2-OG1 2.99Å
665	V	85.4	Confident	88.4	Confident	28 Å²	28	43.5 Å²	43.5	17%	0.17	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-46.6	-178.3	178.9	0	0	0	0	111.1	C654 T656	C654-V665 PolarHBondContact O-N 3.03Å; T656-V665 HydrophobicContact CG2-CG2 3.42Å; T656-V665 VanDerWaalsContact CG2-CG2 3.42Å; T656-V665 WeakPolarHBondContact OG1-CG2 3.06Å
666	R	88.4	Confident	87.9	Confident	41 Å²	41	49 Å²	49	16%	0.155	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	147.2	-172.7	-151.7	169.6	-161.6	-174.1	6.2	112.1	E586 E601 C654 I668	E586-R666 HydrophobicContact CB-CG 4.31Å; E586-R666 VanDerWaalsContact O-CG 3.29Å; E586-R666 WeakPolarHBondContact O-CG 3.43Å; E586-R666 IonicContact OE1-CZ 3.98Å; E586-R666 IonicContact OE1-NE 2.58Å; E586-R666 IonicContact OE1-NH2 2.88Å; E586-R666 PolarHBondContact OE1-NH2 3.28Å; E586-R666 IonicContact OE2-NE 2.87Å; E601-R666 PolarHBondContact O-NH1 2.92Å; C654-R666 HydrophobicContact CB-CB 4.25Å; C654-R666 PolarHBondContact N-O 3.42Å; C654-R666 PolarHBondContact O-N 3.2Å; R666-I668 HydrophobicContact CB-CG1 4.49Å; R666-I668 HydrophobicContact CG-CD1 4.47Å; R666-I668 HydrophobicContact CG-CG1 4.01Å
667	K	92.4	Very high	87.4	Confident	55 Å²	55	53.7 Å²	53.7	24%	0.239	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	116.6	171.7	179.6	-176.3	169	-162	0	108.2	T585 E586 E587 H588 T651 Y652 F653	T585-K667 HydrophobicContact CG2-CB 3.79Å; E586-K667 PolarHBondContact O-N 2.94Å; E587-K667 CarbonylContact C-O 3.56Å; E587-K667 WeakPolarHBondContact CA-O 3.26Å; E587-K667 HydrophobicContact CG-CD 4.2Å; E587-K667 WeakPolarHBondContact OE1-CD 3.41Å; E587-K667 IonicContact OE1-NZ 3.43Å; E587-K667 PolarHBondContact OE1-NZ 2.91Å; H588-K667 PolarHBondContact N-O 2.99Å; T651-K667 HydrophobicContact CG2-CD 4.09Å; T651-K667 VanDerWaalsContact CG2-CE 3.5Å; T651-K667 HydrophobicContact CG2-CG 3.53Å; Y652-K667 CarbonylContact O-C 3.48Å; Y652-K667 WeakPolarHBondContact O-CA 3.34Å; F653-K667 HydrophobicContact CD1-CB 4.41Å; F653-K667 HydrophobicContact CD1-CG 4.14Å; F653-K667 HydrophobicContact CE1-CD 3.86Å; F653-K667 HydrophobicContact CE1-CG 3.85Å; F653-K667 HydrophobicContact CZ-CD 4.45Å; F653-K667 HydrophobicContact CZ-CG 4.43Å
668	I	93.7	Very high	86.8	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	114.8	-173.7	-53.1	174.1	0	0	0	108.8	H588 A590 L600 W613 T651 Y652 R666	H588-I668 HydrophobicContact CB-CG1 4.33Å; H588-I668 CarbonylContact O-C 3.56Å; H588-I668 VanDerWaalsContact O-CA 3.27Å; H588-I668 WeakPolarHBondContact O-CA 3.38Å; A590-I668 HydrophobicContact CB-CG2 3.83Å; L600-I668 HydrophobicContact CB-CD1 3.92Å; L600-I668 HydrophobicContact CD2-CG2 4.15Å; W613-I668 HydrophobicContact CH2-CD1 3.71Å; W613-I668 HydrophobicContact CZ3-CD1 4Å; T651-I668 CarbonylContact C-O 3.57Å; T651-I668 WeakPolarHBondContact CA-O 3.41Å; Y652-I668 PolarHBondContact N-O 2.91Å; Y652-I668 PolarHBondContact O-N 3.38Å; R666-I668 HydrophobicContact CB-CG1 4.49Å; R666-I668 HydrophobicContact CG-CD1 4.47Å; R666-I668 HydrophobicContact CG-CG1 4.01Å
669	T	94.7	Very high	86	Confident	48 Å²	48	57.2 Å²	57.2	29%	0.294	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	114.7	169.4	-58.7	0	0	0	0	107.9	H588 L589 A590	H588-T669 PolarHBondContact O-N 3.15Å; L589-T669 HydrophobicContact CD1-CG2 3.93Å; A590-T669 PolarHBondContact N-O 3.27Å
670	L	94.8	Very high	85.5	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.5	177.1	173.8	64	0	0	0	109.5	A590 T598 L600 F641 L644 A649 G650 Y652 V672	A590-L670 HydrophobicContact CB-CD1 4.33Å; A590-L670 WeakPolarHBondContact O-CA 3.32Å; T598-L670 HydrophobicContact CG2-CD1 4.37Å; L600-L670 HydrophobicContact CD2-CD1 4.3Å; F641-L670 HydrophobicContact CE2-CD2 4.5Å; L644-L670 HydrophobicContact CD1-CD2 3.98Å; L644-L670 HydrophobicContact CD2-CD1 4.44Å; A649-L670 WeakPolarHBondContact CA-O 3.42Å; G650-L670 PolarHBondContact N-O 3.21Å; G650-L670 VanDerWaalsContact N-O 3.13Å; G650-L670 PolarHBondContact O-N 3.44Å; Y652-L670 HydrophobicContact CD2-CB 4.03Å; Y652-L670 HydrophobicContact CE2-CB 3.92Å; Y652-L670 HydrophobicContact CE2-CD2 3.88Å; L670-V672 HydrophobicContact CD2-CG2 4.47Å; L670-V672 HydrophobicContact CG-CG2 4.3Å
671	E	94.1	Very high	84.8	Confident	91 Å²	91	57.7 Å²	57.7	43%	0.425	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.2	169.2	-67.5	-169.7	-177.2	0	0	110	L589 A590 Y591 G592	L589-E671 HydrophobicContact CD1-CG 4.03Å; A590-E671 PolarHBondContact O-N 2.88Å; Y591-E671 WeakPolarHBondContact CA-O 3.38Å; Y591-E671 HydrophobicContact CD1-CB 3.89Å; Y591-E671 HydrophobicContact CE1-CB 4.06Å; Y591-E671 VanDerWaalsContact CE1-OE2 3.27Å; Y591-E671 WeakPolarHBondContact CE1-OE2 3.15Å; G592-E671 PolarHBondContact N-O 3.35Å
672	V	92.8	Very high	83.9	Confident	25 Å²	25	58.7 Å²	58.7	15%	0.152	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.1	-179.3	-175.3	0	0	0	0	109.3	G592 E594 L644 A649 L670	G592-V672 CarbonylContact O-C 3.46Å; G592-V672 WeakPolarHBondContact O-CA 3.5Å; E594-V672 HydrophobicContact CB-CG1 4.24Å; L644-V672 HydrophobicContact CD2-CB 4.46Å; L644-V672 HydrophobicContact CD2-CG1 4.05Å; L644-V672 HydrophobicContact CD2-CG2 3.84Å; L644-V672 HydrophobicContact CG-CG1 4.27Å; L644-V672 HydrophobicContact CG-CG2 4.03Å; A649-V672 HydrophobicContact CB-CB 4.47Å; A649-V672 HydrophobicContact CB-CG2 3.96Å; L670-V672 HydrophobicContact CD2-CG2 4.47Å; L670-V672 HydrophobicContact CG-CG2 4.3Å
673	V	90.8	Very high	82.9	Confident	45 Å²	45	58.8 Å²	58.8	27%	0.273	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	125.7	177.3	-169.8	0	0	0	0	108.7	Y591 G592 E594 V678	Y591-V673 HydrophobicContact CD1-CG2 4.25Å; G592-V673 PolarHBondContact O-N 3.2Å; E594-V673 PolarHBondContact N-O 2.51Å; V673-V678 HydrophobicContact CB-CG2 4.35Å; V673-V678 HydrophobicContact CG1-CG2 3.61Å
674	E	87.4	Confident	81.6	Confident	42 Å²	42	64.4 Å²	64.4	20%	0.196	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-61.7	136.5	175.6	-69.4	164.1	-175.3	0	0	110.1	K646 E676 K677 V678	K646-E674 WeakPolarHBondContact CE-OE1 3.42Å; K646-E674 IonicContact NZ-OE1 2.66Å; K646-E674 PolarHBondContact NZ-OE1 2.86Å; E674-E676 VanDerWaalsContact C-N 3.3Å; E674-E676 PolarHBondContact O-N 3.25Å; E674-K677 HydrophobicContact CB-CB 4.46Å; E674-K677 HydrophobicContact CB-CD 4.35Å; E674-K677 HydrophobicContact CB-CG 4.34Å; E674-K677 PolarHBondContact O-N 3.4Å; E674-K677 VanDerWaalsContact O-N 3.14Å; E674-K677 IonicContact OE1-NZ 3.9Å; E674-K677 VanDerWaalsContact OE2-CE 3.23Å; E674-K677 WeakPolarHBondContact OE2-CE 3.35Å; E674-K677 IonicContact OE2-NZ 3.96Å; E674-K677 PolarHBondContact OE2-NZ 3.44Å; E674-V678 PolarHBondContact O-N 3.22Å
675	E	81.9	Confident	79.9	Confident	76 Å²	76	65.4 Å²	65.4	36%	0.355	32%	0.319	S	S	.	.	H	α-helix	trans	-56.7	-44.2	-178.8	-172.3	170.8	-165.9	0	0	111.6	N595 K677 V678 E679	N595-E675 PolarHBondContact ND2-OE2 3.11Å; E675-K677 VanDerWaalsContact C-N 3.3Å; E675-K677 PolarHBondContact O-N 3.45Å; E675-V678 WeakPolarHBondContact O-CB 3.4Å; E675-V678 PolarHBondContact O-N 3.01Å; E675-E679 PolarHBondContact O-N 2.85Å
676	E	80	Confident	78.3	Confident	149 Å²	149	68.4 Å²	68.4	70%	0.696	33%	0.334	S	S	*	.	H	α-helix	trans	-58.3	-38	177.9	-63.5	179.9	178	0	0	112.9	E674 V678 E679 D680	E674-E676 VanDerWaalsContact C-N 3.3Å; E674-E676 PolarHBondContact O-N 3.25Å; E676-V678 VanDerWaalsContact C-N 3.31Å; E676-V678 PolarHBondContact O-N 3.23Å; E676-E679 PolarHBondContact O-N 3.41Å; E676-D680 WeakPolarHBondContact O-CB 3.3Å; E676-D680 PolarHBondContact O-N 3.07Å
677	K	78.3	Confident	76.4	Confident	114 Å²	114	72.9 Å²	72.9	50%	0.496	36%	0.357	S	S	.	.	H	α-helix	trans	-68.6	-33.1	177.7	-77.6	-179.8	175.4	135.7	0	112.2	E674 E675 M681	E674-K677 HydrophobicContact CB-CB 4.46Å; E674-K677 HydrophobicContact CB-CD 4.35Å; E674-K677 HydrophobicContact CB-CG 4.34Å; E674-K677 PolarHBondContact O-N 3.4Å; E674-K677 VanDerWaalsContact O-N 3.14Å; E674-K677 IonicContact OE1-NZ 3.9Å; E674-K677 VanDerWaalsContact OE2-CE 3.23Å; E674-K677 WeakPolarHBondContact OE2-CE 3.35Å; E674-K677 IonicContact OE2-NZ 3.96Å; E674-K677 PolarHBondContact OE2-NZ 3.44Å; E675-K677 VanDerWaalsContact C-N 3.3Å; E675-K677 PolarHBondContact O-N 3.45Å; K677-M681 VanDerWaalsContact O-CG 3.29Å; K677-M681 WeakPolarHBondContact O-CG 3.27Å; K677-M681 PolarHBondContact O-N 3Å; K677-M681 VanDerWaalsContact O-N 3.08Å
678	V	75.2	Confident	74.4	Confident	30 Å²	30	77.8 Å²	77.8	18%	0.182	38%	0.38	C	S	.	.	H	α-helix	trans	-69.6	-45.1	175.5	179.1	0	0	0	0	109.3	I593 V673 E674 E675 E676 M681 F682	I593-V678 HydrophobicContact CD1-CG2 4.43Å; I593-V678 HydrophobicContact CG1-CG2 4.26Å; I593-V678 HydrophobicContact CG2-CG2 4.37Å; V673-V678 HydrophobicContact CB-CG2 4.35Å; V673-V678 HydrophobicContact CG1-CG2 3.61Å; E674-V678 PolarHBondContact O-N 3.22Å; E675-V678 WeakPolarHBondContact O-CB 3.4Å; E675-V678 PolarHBondContact O-N 3.01Å; E676-V678 VanDerWaalsContact C-N 3.31Å; E676-V678 PolarHBondContact O-N 3.23Å; V678-M681 WeakPolarHBondContact O-CB 3.42Å; V678-M681 PolarHBondContact O-N 3.27Å; V678-F682 HydrophobicContact CG1-CD2 4.01Å; V678-F682 HydrophobicContact CG1-CE2 3.58Å; V678-F682 WeakPolarHBondContact O-CD2 3.28Å; V678-F682 PolarHBondContact O-N 3.32Å
679	E	71.5	Confident	72.2	Confident	98 Å²	98	80.8 Å²	80.8	46%	0.458	40%	0.396	S	S	.	.	H	α-helix	trans	-61.6	-43	175.4	-66.1	-166.7	153	0	0	112.5	E675 E676 M681 F682 N683	E675-E679 PolarHBondContact O-N 2.85Å; E676-E679 PolarHBondContact O-N 3.41Å; E679-M681 VanDerWaalsContact C-N 3.32Å; E679-M681 PolarHBondContact O-N 2.86Å; E679-F682 PolarHBondContact O-N 2.95Å; E679-F682 VanDerWaalsContact O-N 3.14Å; E679-N683 WeakPolarHBondContact O-CB 3Å; E679-N683 VanDerWaalsContact O-CG 3.3Å; E679-N683 PolarHBondContact O-N 3.37Å; E679-N683 PolarHBondContact O-ND2 3.2Å
680	D	72.1	Confident	69.9	Low	97 Å²	97	85.9 Å²	85.9	52%	0.519	42%	0.415	S	S	.	.	H	α-helix	trans	-63.5	-34.9	175.8	-87.8	-5.1	0	0	0	113	E676 F682 N683 K684	E676-D680 WeakPolarHBondContact O-CB 3.3Å; E676-D680 PolarHBondContact O-N 3.07Å; D680-F682 VanDerWaalsContact C-N 3.33Å; D680-N683 PolarHBondContact O-N 2.71Å; D680-K684 WeakPolarHBondContact O-CB 3.41Å; D680-K684 PolarHBondContact O-N 3.36Å
681	M	68.9	Low	67.5	Low	104 Å²	104	93.6 Å²	93.6	51%	0.512	45%	0.45	S	S	.	.	H	α-helix	trans	-65	-37.6	173.5	-79.3	179.8	61.8	0	0	111.8	K677 V678 E679	K677-M681 VanDerWaalsContact O-CG 3.29Å; K677-M681 WeakPolarHBondContact O-CG 3.27Å; K677-M681 PolarHBondContact O-N 3Å; K677-M681 VanDerWaalsContact O-N 3.08Å; V678-M681 WeakPolarHBondContact O-CB 3.42Å; V678-M681 PolarHBondContact O-N 3.27Å; E679-M681 VanDerWaalsContact C-N 3.32Å; E679-M681 PolarHBondContact O-N 2.86Å
682	F	64.4	Low	65.2	Low	42 Å²	42	96.8 Å²	96.8	18%	0.184	47%	0.465	C	S	.	.	H	α-helix	trans	-72.2	-35.6	174.2	-72.7	-67.3	0	0	0	112.4	V678 E679 D680 R724 V725 Y728	V678-F682 HydrophobicContact CG1-CD2 4.01Å; V678-F682 HydrophobicContact CG1-CE2 3.58Å; V678-F682 WeakPolarHBondContact O-CD2 3.28Å; V678-F682 PolarHBondContact O-N 3.32Å; E679-F682 PolarHBondContact O-N 2.95Å; E679-F682 VanDerWaalsContact O-N 3.14Å; D680-F682 VanDerWaalsContact C-N 3.33Å; F682-R724 HydrophobicContact CD1-CB 4.33Å; F682-R724 HydrophobicContact CE1-CB 4.19Å; F682-V725 HydrophobicContact CZ-CG2 3.99Å; F682-Y728 HydrophobicContact CE1-CG 4.44Å
683	N	64.4	Low	62.6	Low	79 Å²	79	107 Å²	107	42%	0.422	50%	0.5	S	S	.	.	H	α-helix	trans	-79.8	-32.1	-178.5	-68.8	-30.6	0	0	0	113.6	E679 D680 D686 E687	E679-N683 WeakPolarHBondContact O-CB 3Å; E679-N683 VanDerWaalsContact O-CG 3.3Å; E679-N683 PolarHBondContact O-N 3.37Å; E679-N683 PolarHBondContact O-ND2 3.2Å; D680-N683 PolarHBondContact O-N 2.71Å; N683-D686 PolarHBondContact O-N 2.94Å; N683-E687 PolarHBondContact O-N 3.19Å
684	K	55.9	Low	60.3	Low	153 Å²	153	112.9 Å²	112.9	67%	0.665	53%	0.527	S	S	*	.	H	α-helix	trans	-66.6	-37.1	174.7	-96	178.6	171.6	168.1	0	112.9	D680 D686 E687 E688	D680-K684 WeakPolarHBondContact O-CB 3.41Å; D680-K684 PolarHBondContact O-N 3.36Å; K684-D686 VanDerWaalsContact C-N 3.32Å; K684-E687 PolarHBondContact O-N 2.85Å; K684-E688 PolarHBondContact O-N 3.1Å
685	D	51.6	Low	58.3	Low	53 Å²	53	116.2 Å²	116.2	28%	0.283	55%	0.553	S	S	.	*	H	α-helix	trans	-67.8	-33.1	175.4	-90	-0.5	0	0	0	111.4	E687 D689 Y728	D685-E687 VanDerWaalsContact C-N 3.29Å; D685-E687 PolarHBondContact O-N 2.88Å; D685-D689 VanDerWaalsContact O-CB 3.25Å; D685-D689 WeakPolarHBondContact O-CB 3.15Å; D685-D689 PolarHBondContact O-N 2.94Å; D685-Y728 WeakPolarHBondContact OD2-CE2 3.28Å
686	D	50.7	Low	56.5	Low	91 Å²	91	115.8 Å²	115.8	49%	0.487	56%	0.557	S	S	.	*	H	α-helix	trans	-67.1	-26.3	175.2	-91.4	-26.4	0	0	0	113.2	N683 K684 R724	N683-D686 PolarHBondContact O-N 2.94Å; K684-D686 VanDerWaalsContact C-N 3.32Å; D686-R724 IonicContact OD2-CZ 2.91Å; D686-R724 IonicContact OD2-NH2 3.71Å; D686-R724 PolarHBondContact OD2-NH2 3.34Å
687	E	49.8	Very low	54.8	Low	135 Å²	135	114.3 Å²	114.3	63%	0.631	56%	0.561	S	S	*	*	H	α-helix	trans	-88	-36	176.4	-80.7	-78.2	118.6	0	0	113	N683 K684 D685 K690	N683-E687 PolarHBondContact O-N 3.19Å; K684-E687 PolarHBondContact O-N 2.85Å; D685-E687 VanDerWaalsContact C-N 3.29Å; D685-E687 PolarHBondContact O-N 2.88Å; E687-K690 IonicContact OE1-NZ 3.94Å; E687-K690 PolarHBondContact OE1-NZ 2.92Å
688	E	49.8	Very low	53	Low	157 Å²	157	113.3 Å²	113.3	73%	0.734	57%	0.573	S	S	*	*	H	α-helix	trans	-75.7	-25.4	175.5	-76.4	-167.1	166.4	0	0	113.2	K684	K684-E688 PolarHBondContact O-N 3.1Å
689	D	46.9	Very low	51.1	Low	65 Å²	65	120.8 Å²	120.8	35%	0.348	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.9	4.5	-176.5	-123.7	10	0	0	0	115.4	D685 H691 K731	D685-D689 VanDerWaalsContact O-CB 3.25Å; D685-D689 WeakPolarHBondContact O-CB 3.15Å; D685-D689 PolarHBondContact O-N 2.94Å; D689-H691 PolarHBondContact O-N 3.37Å; D689-K731 WeakPolarHBondContact OD2-CE 3.49Å; D689-K731 IonicContact OD2-NZ 2.66Å; D689-K731 PolarHBondContact OD2-NZ 2.92Å
690	K	46.8	Very low	49.5	Very low	156 Å²	156	121.7 Å²	121.7	68%	0.678	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-17.4	165.8	-85.3	179.3	-172.2	153.9	0	112.7	E687	E687-K690 IonicContact OE1-NZ 3.94Å; E687-K690 PolarHBondContact OE1-NZ 2.92Å
691	H	43.3	Very low	47.8	Very low	163 Å²	163	121.8 Å²	121.8	76%	0.755	63%	0.632	S	S	*	*	S	Bend	trans	-105.8	-15.3	-176.5	-82.3	-62.6	0	0	0	116.7	D689	D689-H691 PolarHBondContact O-N 3.37Å
692	H	47.5	Very low	46.1	Very low	158 Å²	158	123.5 Å²	123.5	73%	0.731	65%	0.648	S	S	*	*			trans	-137.2	62.4	-176.6	-78.4	50.7	0	0	0	114	M694	H692-M694 PolarHBondContact O-N 2.87Å; H692-M694 VanDerWaalsContact O-N 3.12Å
693	R	37.9	Very low	44.4	Very low	239 Å²	239	126.5 Å²	126.5	90%	0.902	67%	0.674	S	S	*	*			trans	-69.4	103.8	161.3	-79.1	-173.5	178.3	-175.9	-0.6	110.6
694	M	42.1	Very low	43.2	Very low	169 Å²	169	132.6 Å²	132.6	83%	0.833	70%	0.7	S	S	*	*			trans	-119.6	124.8	151.7	-85.3	-155.6	80	0	0	109.6	H692	H692-M694 PolarHBondContact O-N 2.87Å; H692-M694 VanDerWaalsContact O-N 3.12Å
695	P	45.6	Very low	42.3	Very low	113 Å²	113	128.6 Å²	128.6	73%	0.734	70%	0.702	S	S	*	*			trans	-69	142.6	-179.1	0.2	12.6	0	0	0	110.6
696	C	43.8	Very low	41.7	Very low	66 Å²	66	130.7 Å²	130.7	45%	0.446	73%	0.727	S	S	.	*			trans	-64.4	136.3	157.4	-76.2	0	0	0	0	108.5	A698 C734	C696-A698 PolarHBondContact O-N 2.8Å; C696-C734 VanDerWaalsContact SG-SG 3.64Å
697	P	44	Very low	41.5	Very low	119 Å²	119	134.6 Å²	134.6	77%	0.773	74%	0.739	S	S	*	*			trans	-65.6	108.9	171.4	24.9	-29.4	0	0	0	108.2	Q699	P697-Q699 PolarHBondContact O-N 3.27Å
698	A	40.6	Very low	41.6	Very low	92 Å²	92	130.6 Å²	130.6	76%	0.76	73%	0.725	S	S	*	*			trans	-62.8	115.6	168.6	0	0	0	0	0	108.2	C696 S700	C696-A698 PolarHBondContact O-N 2.8Å; A698-S700 PolarHBondContact O-N 3.1Å
699	Q	36.1	Very low	41.5	Very low	187 Å²	187	131.9 Å²	131.9	87%	0.874	72%	0.724	S	S	*	*			trans	-79.1	98.1	155.9	-82	-171.7	-22.2	0	0	107.2	P697 S701	P697-Q699 PolarHBondContact O-N 3.27Å; Q699-S701 VanDerWaalsContact C-N 3.29Å; Q699-S701 PolarHBondContact O-N 2.82Å
700	S	36.5	Very low	41.7	Very low	118 Å²	118	134 Å²	134	83%	0.825	73%	0.727	S	S	*	*			trans	-69.4	85.8	163.3	52.5	0	0	0	0	109.6	A698	A698-S700 PolarHBondContact O-N 3.1Å
701	S	38.3	Very low	41.8	Very low	98 Å²	98	128.9 Å²	128.9	69%	0.685	71%	0.705	S	S	*	*			trans	-166.9	77	153	63.3	0	0	0	0	110.8	Q699	Q699-S701 VanDerWaalsContact C-N 3.29Å; Q699-S701 PolarHBondContact O-N 2.82Å
702	V	31.9	Very low	42.3	Very low	140 Å²	140	127 Å²	127	85%	0.848	70%	0.697	S	S	*	*			trans	-131.1	119.9	148.7	-176.3	0	0	0	0	107.2
703	S	29.5	Very low	42.5	Very low	105 Å²	105	125.1 Å²	125.1	73%	0.734	69%	0.687	S	S	*	*			trans	-53.4	140.4	177	42.9	0	0	0	0	112.7	G705	S703-G705 PolarHBondContact O-N 3.04Å
704	Q	39.4	Very low	43.2	Very low	207 Å²	207	116.3 Å²	116.3	97%	0.967	66%	0.657	S	S	*	*	S	Bend	trans	-55	116.7	168	-69.8	-173.3	-22	0	0	110.3
705	G	36.9	Very low	43.6	Very low	69 Å²	69	115.4 Å²	115.4	71%	0.711	65%	0.651	S	S	*	*			trans	169.1	110	172.9	0	0	0	0	0	111.3	S703	S703-G705 PolarHBondContact O-N 3.04Å
706	A	38.2	Very low	43.8	Very low	98 Å²	98	117 Å²	117	81%	0.81	65%	0.652	S	S	*	*			trans	75.3	92.2	179.7	0	0	0	0	0	116.2
707	K	47.4	Very low	44.2	Very low	172 Å²	172	118.6 Å²	118.6	75%	0.748	66%	0.655	S	S	*	*			trans	-56.1	130.2	151.8	-83.6	179.3	175.7	178.6	0	107.3	W709	K707-W709 PolarHBondContact O-N 3.04Å
708	P	51.1	Low	44.2	Very low	52 Å²	52	115.8 Å²	115.8	34%	0.338	65%	0.648	S	S	.	*			trans	-60.2	129.1	176.9	-21.6	31.4	0	0	0	110.6	Y710 K711	P708-Y710 HydrophobicContact CB-CD1 3.38Å; P708-Y710 HydrophobicContact CB-CE1 3.03Å; P708-Y710 HydrophobicContact CB-CE2 4.48Å; P708-Y710 HydrophobicContact CB-CG 4.25Å; P708-Y710 HydrophobicContact CG-CE1 3.76Å; P708-Y710 PolarHBondContact O-N 2.87Å; P708-K711 WeakPolarHBondContact O-CB 3.22Å; P708-K711 PolarHBondContact O-N 3.01Å
709	W	48	Very low	44.7	Very low	184 Å²	184	115.5 Å²	115.5	70%	0.697	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	-29.2	-174.4	83	-79.7	0	0	0	113.8	K707 K711 E712 F713	K707-W709 PolarHBondContact O-N 3.04Å; W709-K711 PolarHBondContact O-N 2.89Å; W709-E712 PolarHBondContact O-N 3.04Å; W709-F713 HydrophobicContact CE3-CD2 4.05Å; W709-F713 HydrophobicContact CH2-CD2 4.43Å; W709-F713 HydrophobicContact CZ3-CB 4.47Å; W709-F713 AromaticContact CZ3-CD2 3.48Å; W709-F713 HydrophobicContact CZ3-CD2 3.48Å; W709-F713 VanDerWaalsContact CZ3-CD2 3.48Å; W709-F713 AromaticContact CZ3-CE2 3.85Å; W709-F713 HydrophobicContact CZ3-CE2 3.85Å; W709-F713 HydrophobicContact CZ3-CG 4.05Å; W709-F713 PolarHBondContact O-N 3.06Å
710	Y	51.6	Low	45.4	Very low	108 Å²	108	112 Å²	112	42%	0.424	62%	0.624	S	S	.	*	H	α-helix	trans	-62.8	-24	177.7	71.1	-104.1	0	0	0	113.2	P708 F713 L714	P708-Y710 HydrophobicContact CB-CD1 3.38Å; P708-Y710 HydrophobicContact CB-CE1 3.03Å; P708-Y710 HydrophobicContact CB-CE2 4.48Å; P708-Y710 HydrophobicContact CB-CG 4.25Å; P708-Y710 HydrophobicContact CG-CE1 3.76Å; P708-Y710 PolarHBondContact O-N 2.87Å; Y710-F713 PolarHBondContact O-N 3.38Å; Y710-L714 HydrophobicContact CD2-CD1 3.89Å; Y710-L714 WeakPolarHBondContact O-CB 3.47Å; Y710-L714 VanDerWaalsContact O-CG 3.26Å; Y710-L714 WeakPolarHBondContact O-CG 3.38Å; Y710-L714 PolarHBondContact O-N 2.04Å
711	K	49	Very low	46.2	Very low	49 Å²	49	109.8 Å²	109.8	21%	0.213	60%	0.603	C	S	.	*	H	α-helix	trans	-69.8	-33.8	178.8	-67.8	-163.1	175.1	-160.6	0	112.8	P708 W709 F722 E726	P708-K711 WeakPolarHBondContact O-CB 3.22Å; P708-K711 PolarHBondContact O-N 3.01Å; W709-K711 PolarHBondContact O-N 2.89Å; K711-F722 HydrophobicContact CD-CE1 4.36Å; K711-F722 HydrophobicContact CD-CZ 4.38Å; K711-F722 HydrophobicContact CG-CE1 4.34Å; K711-F722 HydrophobicContact CG-CZ 4.05Å; K711-E726 WeakPolarHBondContact CE-OE1 3.46Å; K711-E726 IonicContact NZ-OE1 3.42Å; K711-E726 PolarHBondContact NZ-OE1 2.76Å; K711-E726 IonicContact NZ-OE2 3.96Å; K711-E726 PolarHBondContact NZ-OE2 3.26Å
712	E	52.8	Low	47.2	Very low	123 Å²	123	107.2 Å²	107.2	58%	0.575	58%	0.58	S	S	*	*	H	α-helix	trans	-75.8	-35	175.3	-67	-178.9	171.7	0	0	110.8	W709 Q715 L716	W709-E712 PolarHBondContact O-N 3.04Å; E712-Q715 PolarHBondContact O-N 3.14Å; E712-L716 PolarHBondContact O-N 3.49Å
713	F	51.6	Low	48.3	Very low	120 Å²	120	108 Å²	108	53%	0.526	57%	0.574	S	S	.	*	H	α-helix	trans	-66.2	-43.2	175.6	-131.4	-93	0	0	0	112.2	W709 Y710 Q715 L716 I717	W709-F713 HydrophobicContact CE3-CD2 4.05Å; W709-F713 HydrophobicContact CH2-CD2 4.43Å; W709-F713 HydrophobicContact CZ3-CB 4.47Å; W709-F713 AromaticContact CZ3-CD2 3.48Å; W709-F713 HydrophobicContact CZ3-CD2 3.48Å; W709-F713 VanDerWaalsContact CZ3-CD2 3.48Å; W709-F713 AromaticContact CZ3-CE2 3.85Å; W709-F713 HydrophobicContact CZ3-CE2 3.85Å; W709-F713 HydrophobicContact CZ3-CG 4.05Å; W709-F713 PolarHBondContact O-N 3.06Å; Y710-F713 PolarHBondContact O-N 3.38Å; F713-Q715 VanDerWaalsContact C-N 3.29Å; F713-Q715 PolarHBondContact O-N 2.82Å; F713-L716 WeakPolarHBondContact O-CB 3.45Å; F713-L716 PolarHBondContact O-N 2.92Å; F713-I717 WeakPolarHBondContact O-CG1 3.29Å; F713-I717 PolarHBondContact O-N 3.45Å
714	L	51.7	Low	49.6	Very low	53 Å²	53	108 Å²	108	28%	0.277	56%	0.558	S	S	.	*	H	α-helix	trans	-65.4	-28.2	179.6	-72.3	169.9	0	0	0	113.6	Y710 I717 F722	Y710-L714 HydrophobicContact CD2-CD1 3.89Å; Y710-L714 WeakPolarHBondContact O-CB 3.47Å; Y710-L714 VanDerWaalsContact O-CG 3.26Å; Y710-L714 WeakPolarHBondContact O-CG 3.38Å; Y710-L714 PolarHBondContact O-N 2.04Å; L714-I717 HydrophobicContact CD2-CD1 3.81Å; L714-F722 HydrophobicContact CB-CD2 4.32Å; L714-F722 HydrophobicContact CB-CE2 4.48Å; L714-F722 HydrophobicContact CD1-CD2 3.89Å; L714-F722 HydrophobicContact CD1-CE2 3.42Å; L714-F722 VanDerWaalsContact CD1-CE2 3.42Å; L714-F722 HydrophobicContact CD1-CZ 4.27Å
715	Q	52.4	Low	50.5	Low	150 Å²	150	100.5 Å²	100.5	70%	0.701	53%	0.526	S	S	*	.	H	α-helix	trans	-70.8	-29.2	171.7	-87	-178.6	-30.7	0	0	113	E712 F713	E712-Q715 PolarHBondContact O-N 3.14Å; F713-Q715 VanDerWaalsContact C-N 3.29Å; F713-Q715 PolarHBondContact O-N 2.82Å
716	L	49.3	Very low	51.6	Low	146 Å²	146	100 Å²	100	76%	0.764	51%	0.506	S	S	*	.	H	α-helix	trans	-78.5	-25.4	-179.9	-77	158.2	0	0	0	113.4	E712 F713 G718	E712-L716 PolarHBondContact O-N 3.49Å; F713-L716 WeakPolarHBondContact O-CB 3.45Å; F713-L716 PolarHBondContact O-N 2.92Å; L716-G718 VanDerWaalsContact C-N 3.27Å; L716-G718 PolarHBondContact O-N 2.81Å
717	I	51.9	Low	52.5	Low	100 Å²	100	102 Å²	102	51%	0.513	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	9	177.7	9.4	171.3	0	0	0	113.5	F713 L714	F713-I717 WeakPolarHBondContact O-CG1 3.29Å; F713-I717 PolarHBondContact O-N 3.45Å; L714-I717 HydrophobicContact CD2-CD1 3.81Å
718	G	43	Very low	53.1	Low	60 Å²	60	97.5 Å²	97.5	62%	0.619	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	17.1	170	0	0	0	0	0	115.7	L716 S720	L716-G718 VanDerWaalsContact C-N 3.27Å; L716-G718 PolarHBondContact O-N 2.81Å; G718-S720 PolarHBondContact O-N 3.26Å
719	Y	52.3	Low	53.5	Low	86 Å²	86	98 Å²	98	34%	0.337	48%	0.481	S	S	.	.			trans	-74.8	93.9	179.1	-130.9	-89.5	0	0	0	111.1	I593 N596 N721	I593-Y719 WeakPolarHBondContact CD1-OH 3.13Å; N596-Y719 VanDerWaalsContact ND2-CE2 3.31Å; N596-Y719 WeakPolarHBondContact ND2-CE2 3.48Å; N596-Y719 PolarHBondContact ND2-OH 2.91Å; N596-Y719 VanDerWaalsContact ND2-OH 3.14Å; Y719-N721 VanDerWaalsContact C-N 3.25Å; Y719-N721 PolarHBondContact O-N 2.9Å
720	S	50.2	Low	54	Low	114 Å²	114	95.3 Å²	95.3	80%	0.797	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.8	-174.7	50.5	0	0	0	0	114.9	G718	G718-S720 PolarHBondContact O-N 3.26Å
721	N	54	Low	54.3	Low	72 Å²	72	94.3 Å²	94.3	39%	0.385	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	18.3	-173.8	-75.5	-27.8	0	0	0	115.2	Y719 Q723 R724 V725	Y719-N721 VanDerWaalsContact C-N 3.25Å; Y719-N721 PolarHBondContact O-N 2.9Å; N721-Q723 VanDerWaalsContact C-N 3.32Å; N721-Q723 PolarHBondContact O-N 2.9Å; N721-R724 PolarHBondContact O-N 3.49Å; N721-R724 VanDerWaalsContact O-N 3.16Å; N721-V725 PolarHBondContact O-N 2.84Å
722	F	58.8	Low	54.9	Low	43 Å²	43	95.2 Å²	95.2	19%	0.189	48%	0.483	C	S	.	.	H	α-helix	trans	-55.1	-39.2	-173.7	176.8	-103.2	0	0	0	114.7	K711 L714 R724 V725 E726	K711-F722 HydrophobicContact CD-CE1 4.36Å; K711-F722 HydrophobicContact CD-CZ 4.38Å; K711-F722 HydrophobicContact CG-CE1 4.34Å; K711-F722 HydrophobicContact CG-CZ 4.05Å; L714-F722 HydrophobicContact CB-CD2 4.32Å; L714-F722 HydrophobicContact CB-CE2 4.48Å; L714-F722 HydrophobicContact CD1-CD2 3.89Å; L714-F722 HydrophobicContact CD1-CE2 3.42Å; L714-F722 VanDerWaalsContact CD1-CE2 3.42Å; L714-F722 HydrophobicContact CD1-CZ 4.27Å; F722-R724 PolarHBondContact O-N 3Å; F722-V725 PolarHBondContact O-N 2.64Å; F722-E726 PolarHBondContact O-N 3.47Å
723	Q	54.7	Low	55	Low	156 Å²	156	98.2 Å²	98.2	73%	0.729	49%	0.489	S	S	*	.	H	α-helix	trans	-64.4	-36.4	-179.7	-86.3	157.5	-39.5	0	0	113.3	N721 E726 E727	N721-Q723 VanDerWaalsContact C-N 3.32Å; N721-Q723 PolarHBondContact O-N 2.9Å; Q723-E726 PolarHBondContact O-N 3.01Å; Q723-E727 PolarHBondContact O-N 2.85Å; Q723-E727 VanDerWaalsContact O-N 3.11Å
724	R	58.1	Low	55.2	Low	107 Å²	107	94.7 Å²	94.7	40%	0.404	48%	0.479	S	S	.	.	H	α-helix	trans	-69.9	-36	175.7	-98.1	178	164.9	175	-10.8	112.3	F682 D686 N721 F722 Y728	F682-R724 HydrophobicContact CD1-CB 4.33Å; F682-R724 HydrophobicContact CE1-CB 4.19Å; D686-R724 IonicContact OD2-CZ 2.91Å; D686-R724 IonicContact OD2-NH2 3.71Å; D686-R724 PolarHBondContact OD2-NH2 3.34Å; N721-R724 PolarHBondContact O-N 3.49Å; N721-R724 VanDerWaalsContact O-N 3.16Å; F722-R724 PolarHBondContact O-N 3Å; R724-Y728 WeakPolarHBondContact O-CB 3.42Å; R724-Y728 PolarHBondContact O-N 3Å
725	V	56.9	Low	55.4	Low	48 Å²	48	96.1 Å²	96.1	29%	0.291	49%	0.49	S	S	.	.	H	α-helix	trans	-66.1	-41.6	175.5	178.8	0	0	0	0	110.7	F682 N721 F722 Y728 C729	F682-V725 HydrophobicContact CZ-CG2 3.99Å; N721-V725 PolarHBondContact O-N 2.84Å; F722-V725 PolarHBondContact O-N 2.64Å; V725-Y728 PolarHBondContact O-N 2.81Å; V725-C729 WeakPolarHBondContact O-CB 3.29Å; V725-C729 PolarHBondContact O-N 2.74Å; V725-C729 PolarHBondContact O-SG 3.18Å; V725-C729 VanDerWaalsContact O-SG 3.4Å
726	E	60.5	Low	55.2	Low	60 Å²	60	92.5 Å²	92.5	28%	0.28	48%	0.476	S	S	.	.	H	α-helix	trans	-63.8	-46.5	177.4	-175	160.2	-145.4	0	0	111.7	K711 F722 Q723 Y728 C729 E730	K711-E726 WeakPolarHBondContact CE-OE1 3.46Å; K711-E726 IonicContact NZ-OE1 3.42Å; K711-E726 PolarHBondContact NZ-OE1 2.76Å; K711-E726 IonicContact NZ-OE2 3.96Å; K711-E726 PolarHBondContact NZ-OE2 3.26Å; F722-E726 PolarHBondContact O-N 3.47Å; Q723-E726 PolarHBondContact O-N 3.01Å; E726-Y728 PolarHBondContact O-N 3.21Å; E726-C729 PolarHBondContact O-N 2.99Å; E726-E730 PolarHBondContact O-N 3.33Å
727	E	56.8	Low	55.3	Low	138 Å²	138	94.4 Å²	94.4	65%	0.645	47%	0.473	S	S	*	.	H	α-helix	trans	-60.4	-42.1	175	-76.2	-179.6	167.6	0	0	112.4	Q723 K731	Q723-E727 PolarHBondContact O-N 2.85Å; Q723-E727 VanDerWaalsContact O-N 3.11Å; E727-K731 VanDerWaalsContact O-CB 3.31Å; E727-K731 WeakPolarHBondContact O-CB 3.25Å; E727-K731 PolarHBondContact O-N 3.11Å
728	Y	59.6	Low	55.4	Low	79 Å²	79	95.3 Å²	95.3	31%	0.31	47%	0.473	S	S	.	.	H	α-helix	trans	-65.5	-46.6	177	-176.2	-96.9	0	0	0	112.1	F682 D685 R724 V725 E726 E730 K731 V732	F682-Y728 HydrophobicContact CE1-CG 4.44Å; D685-Y728 WeakPolarHBondContact OD2-CE2 3.28Å; R724-Y728 WeakPolarHBondContact O-CB 3.42Å; R724-Y728 PolarHBondContact O-N 3Å; V725-Y728 PolarHBondContact O-N 2.81Å; E726-Y728 PolarHBondContact O-N 3.21Å; Y728-E730 PolarHBondContact O-N 3.2Å; Y728-K731 WeakPolarHBondContact O-CB 3.45Å; Y728-K731 PolarHBondContact O-N 3.25Å; Y728-V732 HydrophobicContact CD1-CG2 4.05Å; Y728-V732 HydrophobicContact CE1-CG2 3.65Å; Y728-V732 HydrophobicContact CE2-CG2 4.3Å; Y728-V732 WeakPolarHBondContact O-CG2 3.48Å; Y728-V732 PolarHBondContact O-N 3.44Å
729	C	60.6	Low	55.8	Low	63 Å²	63	101.6 Å²	101.6	43%	0.426	48%	0.478	S	S	.	.	H	α-helix	trans	-61.1	-42.1	177.3	-76.5	0	0	0	0	112	V725 E726 K731 V732 W733	V725-C729 WeakPolarHBondContact O-CB 3.29Å; V725-C729 PolarHBondContact O-N 2.74Å; V725-C729 PolarHBondContact O-SG 3.18Å; V725-C729 VanDerWaalsContact O-SG 3.4Å; E726-C729 PolarHBondContact O-N 2.99Å; C729-K731 VanDerWaalsContact C-N 3.33Å; C729-K731 PolarHBondContact O-N 3.41Å; C729-V732 PolarHBondContact O-N 3.14Å; C729-W733 WeakPolarHBondContact O-CB 3.48Å; C729-W733 PolarHBondContact O-N 3.25Å
730	E	58.1	Low	55.6	Low	127 Å²	127	104 Å²	104	59%	0.593	49%	0.49	S	S	*	.	H	α-helix	trans	-63.5	-38	174.8	-75.6	-162.1	157.6	0	0	112.4	E726 Y728 W733 C734	E726-E730 PolarHBondContact O-N 3.33Å; Y728-E730 PolarHBondContact O-N 3.2Å; E730-W733 PolarHBondContact O-N 2.97Å; E730-C734 VanDerWaalsContact O-CB 3.31Å; E730-C734 WeakPolarHBondContact O-CB 3.48Å; E730-C734 PolarHBondContact O-N 2.84Å; E730-C734 PolarHBondContact O-SG 2.68Å
731	K	59	Low	55.6	Low	87 Å²	87	107 Å²	107	38%	0.378	49%	0.489	S	S	.	.	H	α-helix	trans	-67.1	-42.7	177.7	-164.9	176.6	176.2	-171.1	0	112	D689 E727 Y728 C729 C734 T735	D689-K731 WeakPolarHBondContact OD2-CE 3.49Å; D689-K731 IonicContact OD2-NZ 2.66Å; D689-K731 PolarHBondContact OD2-NZ 2.92Å; E727-K731 VanDerWaalsContact O-CB 3.31Å; E727-K731 WeakPolarHBondContact O-CB 3.25Å; E727-K731 PolarHBondContact O-N 3.11Å; Y728-K731 WeakPolarHBondContact O-CB 3.45Å; Y728-K731 PolarHBondContact O-N 3.25Å; C729-K731 VanDerWaalsContact C-N 3.33Å; C729-K731 PolarHBondContact O-N 3.41Å; K731-C734 PolarHBondContact O-N 2.99Å; K731-T735 PolarHBondContact O-N 2.9Å; K731-T735 VanDerWaalsContact O-N 3.15Å; K731-T735 PolarHBondContact O-OG1 3.46Å
732	V	60.7	Low	55.2	Low	67 Å²	67	110.3 Å²	110.3	41%	0.406	51%	0.506	S	S	.	.	H	α-helix	trans	-67.3	-41.5	174.6	176.4	0	0	0	0	111.3	Y728 C729 C734 T735 D736	Y728-V732 HydrophobicContact CD1-CG2 4.05Å; Y728-V732 HydrophobicContact CE1-CG2 3.65Å; Y728-V732 HydrophobicContact CE2-CG2 4.3Å; Y728-V732 WeakPolarHBondContact O-CG2 3.48Å; Y728-V732 PolarHBondContact O-N 3.44Å; C729-V732 PolarHBondContact O-N 3.14Å; V732-C734 VanDerWaalsContact C-N 3.3Å; V732-C734 PolarHBondContact O-N 2.87Å; V732-T735 WeakPolarHBondContact CA-OG1 3.48Å; V732-T735 PolarHBondContact O-N 3.47Å; V732-T735 PolarHBondContact O-OG1 3.32Å; V732-D736 PolarHBondContact O-N 2.77Å; V732-D736 VanDerWaalsContact O-N 3.08Å
733	W	54.6	Low	54.5	Low	186 Å²	186	117.6 Å²	117.6	71%	0.705	54%	0.537	S	S	*	.	H	α-helix	trans	-64.7	-36	177.8	-141.9	-64.4	0	0	0	112.4	C729 E730 R737	C729-W733 WeakPolarHBondContact O-CB 3.48Å; C729-W733 PolarHBondContact O-N 3.25Å; E730-W733 PolarHBondContact O-N 2.97Å; W733-R737 PolarHBondContact O-N 3.22Å
734	C	55.8	Low	53.8	Low	47 Å²	47	118 Å²	118	32%	0.318	54%	0.541	S	S	.	.	H	α-helix	trans	-67.7	-38.5	175.6	-81.2	0	0	0	0	113	C696 E730 K731 V732 K738	C696-C734 VanDerWaalsContact SG-SG 3.64Å; E730-C734 VanDerWaalsContact O-CB 3.31Å; E730-C734 WeakPolarHBondContact O-CB 3.48Å; E730-C734 PolarHBondContact O-N 2.84Å; E730-C734 PolarHBondContact O-SG 2.68Å; K731-C734 PolarHBondContact O-N 2.99Å; V732-C734 VanDerWaalsContact C-N 3.3Å; V732-C734 PolarHBondContact O-N 2.87Å; C734-K738 PolarHBondContact O-N 3.06Å
735	T	55.7	Low	52.5	Low	83 Å²	83	117.9 Å²	117.9	51%	0.509	56%	0.557	S	S	.	*	H	α-helix	trans	-71.8	-36.6	177.9	47.7	0	0	0	0	112.1	K731 V732 K738 R739	K731-T735 PolarHBondContact O-N 2.9Å; K731-T735 VanDerWaalsContact O-N 3.15Å; K731-T735 PolarHBondContact O-OG1 3.46Å; V732-T735 WeakPolarHBondContact CA-OG1 3.48Å; V732-T735 PolarHBondContact O-N 3.47Å; V732-T735 PolarHBondContact O-OG1 3.32Å; T735-K738 PolarHBondContact O-N 2.86Å; T735-R739 PolarHBondContact O-N 2.91Å
736	D	48.2	Very low	51.8	Low	73 Å²	73	121.4 Å²	121.4	39%	0.39	58%	0.581	S	S	.	*	H	α-helix	trans	-69.4	-37.9	176.7	-163.3	46.4	0	0	0	112.8	V732 K738 R739 K740	V732-D736 PolarHBondContact O-N 2.77Å; V732-D736 VanDerWaalsContact O-N 3.08Å; D736-K738 VanDerWaalsContact C-N 3.34Å; D736-K738 PolarHBondContact O-N 3.05Å; D736-R739 PolarHBondContact O-N 2.84Å; D736-K740 PolarHBondContact O-N 2.82Å; D736-K740 IonicContact OD2-NZ 3.51Å; D736-K740 PolarHBondContact OD2-NZ 2.61Å
737	R	52.9	Low	50.4	Low	186 Å²	186	124.4 Å²	124.4	70%	0.702	61%	0.608	S	S	*	*	H	α-helix	trans	-62	-37.1	171.6	-91.1	-175.2	164	-174.4	-1.9	112.9	W733 K741	W733-R737 PolarHBondContact O-N 3.22Å; R737-K741 PolarHBondContact O-N 2.98Å; R737-K741 VanDerWaalsContact O-N 3.17Å
738	K	52.9	Low	49.2	Very low	120 Å²	120	126 Å²	126	52%	0.522	61%	0.613	S	S	.	*	H	α-helix	trans	-69.9	-40.6	174.4	-75.8	-178.6	-179.3	176.3	0	111.8	C734 T735 D736 K740 K741 L742	C734-K738 PolarHBondContact O-N 3.06Å; T735-K738 PolarHBondContact O-N 2.86Å; D736-K738 VanDerWaalsContact C-N 3.34Å; D736-K738 PolarHBondContact O-N 3.05Å; K738-K740 VanDerWaalsContact C-N 3.35Å; K738-K740 PolarHBondContact O-N 2.99Å; K738-K741 PolarHBondContact O-N 3.26Å; K738-L742 PolarHBondContact O-N 3.19Å
739	R	52	Low	47.7	Very low	192 Å²	192	133 Å²	133	73%	0.725	64%	0.639	S	S	*	*	H	α-helix	trans	-61.3	-39.1	174.3	-107.8	179	172.5	176.3	-0.1	112.8	T735 D736 L742 K743	T735-R739 PolarHBondContact O-N 2.91Å; D736-R739 PolarHBondContact O-N 2.84Å; R739-L742 PolarHBondContact O-N 2.83Å; R739-K743 PolarHBondContact O-N 3.24Å
740	K	48.6	Very low	46.1	Very low	136 Å²	136	139.2 Å²	139.2	59%	0.591	66%	0.659	S	S	*	*	H	α-helix	trans	-68.8	-34.1	174.4	-76.4	173.3	178.8	147.6	0	113	D736 K738	D736-K740 PolarHBondContact O-N 2.82Å; D736-K740 IonicContact OD2-NZ 3.51Å; D736-K740 PolarHBondContact OD2-NZ 2.61Å; K738-K740 VanDerWaalsContact C-N 3.35Å; K738-K740 PolarHBondContact O-N 2.99Å
741	K	48.6	Very low	44.6	Very low	176 Å²	176	144 Å²	144	77%	0.765	67%	0.673	S	S	*	*	H	α-helix	trans	-68.4	-33.7	171.5	-83.7	-174	174.2	-177.8	0	113.4	R737 K738 M744	R737-K741 PolarHBondContact O-N 2.98Å; R737-K741 VanDerWaalsContact O-N 3.17Å; K738-K741 PolarHBondContact O-N 3.26Å; K741-M744 PolarHBondContact O-N 3.41Å
742	L	46.7	Very low	43	Very low	143 Å²	143	144.7 Å²	144.7	75%	0.749	70%	0.695	S	S	*	*	H	α-helix	trans	-73.3	-24.5	178.6	-84	151.2	0	0	0	113.8	K738 R739 M744	K738-L742 PolarHBondContact O-N 3.19Å; R739-L742 PolarHBondContact O-N 2.83Å; L742-M744 VanDerWaalsContact C-N 3.32Å
743	K	43.3	Very low	41.5	Very low	195 Å²	195	148.6 Å²	148.6	85%	0.848	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-4.3	174.6	-80.4	-174.6	174.6	-179.1	0	114.4	R739	R739-K743 PolarHBondContact O-N 3.24Å
744	M	40.2	Very low	40.8	Very low	164 Å²	164	144.6 Å²	144.6	81%	0.808	71%	0.712	S	S	*	*			trans	-120.4	76.7	176.2	-71.2	-175.3	70.4	0	0	111	K741 L742	K741-M744 PolarHBondContact O-N 3.41Å; L742-M744 VanDerWaalsContact C-N 3.32Å
745	S	31.7	Very low	39.5	Very low	105 Å²	105	150.5 Å²	150.5	73%	0.734	74%	0.735	S	S	*	*			trans	-151.7	147	152.4	71.3	0	0	0	0	112
746	P	40.8	Very low	38.2	Very low	122 Å²	122	153.4 Å²	153.4	79%	0.792	74%	0.743	S	S	*	*			trans	-104.9	142.3	-153.3	34.1	-22.7	0	0	0	114	K748	P746-K748 PolarHBondContact O-N 3.42Å
747	S	31	Very low	37.3	Very low	123 Å²	123	158.5 Å²	158.5	86%	0.86	76%	0.762	S	S	*	*			trans	-79.5	112.4	170.6	53.2	0	0	0	0	111.9
748	K	32	Very low	36.1	Very low	172 Å²	172	159.1 Å²	159.1	75%	0.748	77%	0.769	S	S	*	*			trans	-77.6	140.1	162.8	-73	177.8	173.9	177.1	0	109	P746	P746-K748 PolarHBondContact O-N 3.42Å
749	W	28.3	Very low	34.9	Very low	226 Å²	226	160.6 Å²	160.6	86%	0.856	78%	0.782	S	S	*	*				-179.1	148.2	85.5	-77.5	99.5	0	0	0	105.9
750	K	27	Very low	33.7	Very low	193 Å²	193	162.2 Å²	162.2	84%	0.839	79%	0.788	S	S	*	*			cis	-170.7	156.1	43.9	-125.8	166.2	-169.3	-176.5	0	110.3
751	Y	27.7	Very low	32.6	Very low	227 Å²	227	160.5 Å²	160.5	89%	0.89	79%	0.793	S	S	*	*			trans	-68.2	150.6	177.3	-92.8	-105.1	0	0	0	115.4
752	A	25	Very low	31.5	Very low	102 Å²	102	161.7 Å²	161.7	84%	0.843	80%	0.798	S	S	*	*				-178.7	134.8	112.8	0	0	0	0	0	111.8
753	N	28.6	Very low	31.2	Very low	149 Å²	149	159.9 Å²	159.9	80%	0.797	80%	0.795	S	S	*	*			trans	-95.4	165.5	170.9	-141.7	8.2	0	0	0	108.2
754	P	40.8	Very low	30.3	Very low	103 Å²	103	158.2 Å²	158.2	67%	0.669	79%	0.79	S	S	*	*				-156.5	161.6	66.4	37.5	-14.9	0	0	0	118.7
755	Q	28.6	Very low	29.8	Very low	170 Å²	170	157.5 Å²	157.5	79%	0.794	79%	0.785	S	S	*	*			trans	67.1	136.7	146.7	-70.9	177	-1.7	0	0	118.1
756	E	27.9	Very low	29.6	Very low	145 Å²	145	163.4 Å²	163.4	68%	0.678	79%	0.793	S	S	*	*			cis	-157.8	143.9	49	-88	-164.9	123.9	0	0	115.3
757	K	28.7	Very low	29	Very low	180 Å²	180	168.5 Å²	168.5	78%	0.783	80%	0.796	S	S	*	*			trans	55.1	117.1	136.6	-67.2	173	-176.8	148.7	0	124.1
758	K	28.6	Very low	29	Very low	199 Å²	199	170.3 Å²	170.3	87%	0.865	80%	0.795	S	S	*	*			trans	-79.9	148.6	150.8	-81.1	176.7	170.8	176.4	0	112
759	L	26.7	Very low	29.5	Very low	150 Å²	150	167.3 Å²	167.3	79%	0.785	79%	0.793	S	S	*	*			trans	179.6	150.8	138.5	-125.4	69.5	0	0	0	107.2
760	R	27.1	Very low	29.7	Very low	227 Å²	227	168.5 Å²	168.5	86%	0.857	80%	0.798	S	S	*	*			cis	-169.5	167.6	18.9	-153.5	172.3	-162.2	173.1	-0.6	108.9
761	S	25.1	Very low	30	Very low	99 Å²	99	167 Å²	167	69%	0.692	79%	0.793	S	S	*	*			trans	-100.5	153.6	-173.4	53.3	0	0	0	0	116.2
762	K	25.3	Very low	30.2	Very low	201 Å²	201	163.2 Å²	163.2	87%	0.874	79%	0.794	S	S	*	*			trans	69.5	164.3	150.1	-83.5	-172.3	177	-172	0	119.2
763	P	40.3	Very low	30.9	Very low	106 Å²	106	164.7 Å²	164.7	69%	0.688	79%	0.787	S	S	*	*			cis	-141.4	175.4	-16.6	34.8	-12.5	0	0	0	117
764	E	25.8	Very low	31.3	Very low	160 Å²	160	164.2 Å²	164.2	75%	0.748	78%	0.784	S	S	*	*			trans	29.6	153	141.8	-67.3	179.5	145.2	0	0	128
765	H	29.1	Very low	31.1	Very low	148 Å²	148	168.6 Å²	168.6	69%	0.685	82%	0.817	S	S	*	*			trans	81.4	124.5	156	-66.4	-53.3	0	0	0	118.5
766	Y	28.4	Very low	31.2	Very low	230 Å²	230	168.5 Å²	168.5	90%	0.902	82%	0.818	S	S	*	*				-160.1	161.9	72.4	-108.1	-94.8	0	0	0	115.2
767	R	27.8	Very low	31.4	Very low	228 Å²	228	169.7 Å²	169.7	86%	0.86	83%	0.826	S	S	*	*			trans	-70.8	151.7	-174.7	-72.5	169	168.3	156	-4.5	116.4
768	L	30.7	Very low	31.5	Very low	162 Å²	162	169.2 Å²	169.2	85%	0.848	83%	0.828	S	S	*	*			trans	-13.1	167.1	141.9	-74.6	159.4	0	0	0	118.3
769	P	42.4	Very low	31.7	Very low	109 Å²	109	167.4 Å²	167.4	71%	0.708	83%	0.826	S	S	*	*			cis	-150	177.1	30.5	39.2	-17.2	0	0	0	118
770	R	32	Very low	32	Very low	251 Å²	251	168.5 Å²	168.5	95%	0.947	83%	0.829	S	S	*	*			trans	-157.1	130.5	142.3	-113.6	176.5	-166.6	-179.6	3.6	113
771	H	34.1	Very low	32.3	Very low	162 Å²	162	164.6 Å²	164.6	75%	0.75	83%	0.827	S	S	*	*			trans	-68	157.5	172.6	-89.1	-98.4	0	0	0	113.4
772	T	31.5	Very low	32.8	Very low	147 Å²	147	169.3 Å²	169.3	90%	0.902	84%	0.836	S	S	*	*				-156.4	131.9	125.5	19.7	0	0	0	0	110.6
773	L	38.8	Very low	33.4	Very low	133 Å²	133	166.8 Å²	166.8	70%	0.696	83%	0.834	S	S	*	*			trans	-71.2	170.1	163.4	-74.9	129	0	0	0	109.6
774	D	37.7	Very low	32.8	Very low	138 Å²	138	171.9 Å²	171.9	74%	0.738	85%	0.846	S	S	*	*			cis	-167	165.1	21.7	-115.8	-27.7	0	0	0	109.5
775	S	35.9	Very low	33.5	Very low	195 Å²	195	173 Å²	173	100%	1.364	86%	0.855	S	S	*	*			trans	104	0	167.1	-49.6	0	0	0	0	117.3

Retrieved 775 of 775 residues in 351.3 ms (Link to these results)

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