A0A077ZMA1_TRITR Loading...

RHS repeat domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMA1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 786 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	27.4	Very low	34.8	Very low	240 Å²	240	128.9 Å²	128.9	100%	1.182	75%	0.752	S	S	*	*				0	118.4	0	-84.6	-168.9	-90.2	0	0	107.5
2	S	30.6	Very low	35	Very low	88 Å²	88	132.4 Å²	132.4	62%	0.615	76%	0.76	S	S	*	*			trans	-64.6	127.2	-178.8	62	0	0	0	0	111.4	K4	S2-K4 PolarHBondContact O-N 2.82Å
3	G	34.7	Very low	35.2	Very low	65 Å²	65	128.5 Å²	128.5	67%	0.67	74%	0.739	S	S	*	*			trans	-71.2	77.7	169.7	0	0	0	0	0	111.3
4	K	27.9	Very low	35.5	Very low	168 Å²	168	130.9 Å²	130.9	73%	0.73	74%	0.741	S	S	*	*			trans	-76.8	146.8	168.6	-71.9	-179.9	-178.6	179.9	0	109.3	S2 A6	S2-K4 PolarHBondContact O-N 2.82Å; K4-A6 PolarHBondContact O-N 2.98Å
5	P	35.6	Very low	36	Very low	128 Å²	128	138.3 Å²	138.3	83%	0.831	76%	0.755	S	S	*	*			trans	-55.7	132.2	178	19.8	-30.2	0	0	0	111.5	A7	P5-A7 PolarHBondContact O-N 3.07Å
6	A	39.4	Very low	36	Very low	96 Å²	96	135.1 Å²	135.1	79%	0.793	76%	0.764	S	S	*	*			trans	-76.3	111.8	174.7	0	0	0	0	0	109.9	K4	K4-A6 PolarHBondContact O-N 2.98Å
7	A	33.9	Very low	36	Very low	82 Å²	82	128.8 Å²	128.8	68%	0.678	74%	0.736	S	S	*	*			trans	49.3	161.6	163.6	0	0	0	0	0	120.5	P5	P5-A7 PolarHBondContact O-N 3.07Å
8	R	37.1	Very low	35.9	Very low	223 Å²	223	128.7 Å²	128.7	84%	0.842	74%	0.741	S	S	*	*			trans	-133.2	162.7	-165.7	-77.8	176.6	-79.7	173.1	-4	108.6	G10	R8-G10 PolarHBondContact O-N 3.04Å
9	Q	35	Very low	36.2	Very low	202 Å²	202	130.4 Å²	130.4	94%	0.944	75%	0.745	S	S	*	*	S	Bend	trans	-39.1	124.6	174.9	-156.4	172.4	12	0	0	114
10	G	35.2	Very low	36.5	Very low	63 Å²	63	126 Å²	126	65%	0.649	72%	0.721	S	S	*	*			trans	118.3	-5	-162.4	0	0	0	0	0	112.3	R8 M12	R8-G10 PolarHBondContact O-N 3.04Å; G10-M12 WeakPolarHBondContact O-CG 3.41Å; G10-M12 PolarHBondContact O-N 3.35Å
11	D	46	Very low	36.4	Very low	63 Å²	63	127.8 Å²	127.8	34%	0.337	72%	0.723	S	S	.	*			trans	-35.2	107.6	162.5	-65.8	-33	0	0	0	110.2	V20	D11-V20 HydrophobicContact CB-CG1 3.65Å; D11-V20 VanDerWaalsContact CB-O 3.31Å; D11-V20 WeakPolarHBondContact CB-O 3.49Å; D11-V20 WeakPolarHBondContact O-CG1 3.41Å
12	M	37.2	Very low	36.9	Very low	171 Å²	171	119.8 Å²	119.8	84%	0.842	70%	0.702	S	S	*	*			trans	-112.5	128.9	171.7	-74.4	-160.1	-57.6	0	0	106.9	G10 V20	G10-M12 WeakPolarHBondContact O-CG 3.41Å; G10-M12 PolarHBondContact O-N 3.35Å; M12-V20 VanDerWaalsContact C-CG1 3.41Å
13	T	37.7	Very low	37.2	Very low	81 Å²	81	119.4 Å²	119.4	50%	0.497	70%	0.704	S	S	.	*			trans	-63.2	140.3	160.2	5.7	0	0	0	0	107.9	V20	T13-V20 VanDerWaalsContact CA-CG2 3.49Å; T13-V20 HydrophobicContact CG2-CB 4.39Å; T13-V20 HydrophobicContact CG2-CG2 2.93Å; T13-V20 WeakPolarHBondContact OG1-CG2 3.31Å
14	Q	39.9	Very low	37.1	Very low	162 Å²	162	121.8 Å²	121.8	76%	0.757	72%	0.718	S	S	*	*			trans	-69.5	132.8	151.7	-164.1	174.2	9.5	0	0	107.8	G16 G17	Q14-G16 PolarHBondContact O-N 3.38Å; Q14-G17 PolarHBondContact O-N 2.94Å
15	Y	42.3	Very low	37.4	Very low	242 Å²	242	116.9 Å²	116.9	95%	0.949	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	109.8	175.4	-157.3	-92.7	0	0	0	109.3
16	G	36.5	Very low	37.4	Very low	88 Å²	88	116 Å²	116	91%	0.907	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.3	5.1	-178.7	0	0	0	0	0	117.5	Q14	Q14-G16 PolarHBondContact O-N 3.38Å
17	G	35.3	Very low	37.2	Very low	28 Å²	28	119.5 Å²	119.5	29%	0.289	70%	0.699	S	S	.	*	S	Bend	trans	-117.7	169.8	178.8	0	0	0	0	0	114.6	Q14	Q14-G17 PolarHBondContact O-N 2.94Å
18	P	35	Very low	37.3	Very low	126 Å²	126	122.7 Å²	122.7	82%	0.818	70%	0.703	S	S	*	*	S	Bend	trans	-64.2	171.4	-174.4	23	-30.9	0	0	0	115.9
19	I	40.6	Very low	37.4	Very low	162 Å²	162	114 Å²	114	83%	0.831	68%	0.683	S	S	*	*			trans	-70.9	150.9	-140	-63	166.5	0	0	0	117.3
20	V	41.9	Very low	37.7	Very low	41 Å²	41	107.9 Å²	107.9	25%	0.248	67%	0.668	C	S	.	*	S	Bend	trans	-102.7	18.5	-167.2	-150.2	0	0	0	0	115.3	D11 M12 T13	D11-V20 HydrophobicContact CB-CG1 3.65Å; D11-V20 VanDerWaalsContact CB-O 3.31Å; D11-V20 WeakPolarHBondContact CB-O 3.49Å; D11-V20 WeakPolarHBondContact O-CG1 3.41Å; M12-V20 VanDerWaalsContact C-CG1 3.41Å; T13-V20 VanDerWaalsContact CA-CG2 3.49Å; T13-V20 HydrophobicContact CG2-CB 4.39Å; T13-V20 HydrophobicContact CG2-CG2 2.93Å; T13-V20 WeakPolarHBondContact OG1-CG2 3.31Å
21	Q	35.7	Very low	38.4	Very low	164 Å²	164	109.2 Å²	109.2	77%	0.766	66%	0.664	S	S	*	*			trans	-161.2	122.5	169.5	-116.8	158.8	19.8	0	0	112.1
22	G	38.1	Very low	39.3	Very low	73 Å²	73	108.2 Å²	108.2	75%	0.753	66%	0.661	S	S	*	*			trans	-94.8	134.4	172.6	0	0	0	0	0	111
23	A	36.4	Very low	41.1	Very low	79 Å²	79	100.1 Å²	100.1	65%	0.653	62%	0.621	S	S	*	*			trans	-77.5	142.4	175.4	0	0	0	0	0	111.5	G25	A23-G25 PolarHBondContact O-N 3.2Å
24	A	32.6	Very low	43.1	Very low	116 Å²	116	97.9 Å²	97.9	96%	0.959	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	108.8	173	0	0	0	0	0	110.7
25	G	33.3	Very low	45.2	Very low	64 Å²	64	90.2 Å²	90.2	66%	0.66	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	134.2	-10.1	169.9	0	0	0	0	0	116.6	A23 R27	A23-G25 PolarHBondContact O-N 3.2Å; G25-R27 VanDerWaalsContact C-N 3.34Å; G25-R27 PolarHBondContact O-N 2.88Å
26	V	35.3	Very low	47.1	Very low	111 Å²	111	80.1 Å²	80.1	67%	0.673	54%	0.536	S	S	*	.			trans	-80.3	83.2	178	-167.8	0	0	0	0	110.1	I28	V26-I28 VanDerWaalsContact C-N 3.33Å; V26-I28 HydrophobicContact CG1-CD1 4.43Å; V26-I28 HydrophobicContact CG1-CG1 3.69Å; V26-I28 PolarHBondContact O-N 3.47Å
27	R	36.7	Very low	49.3	Very low	168 Å²	168	76 Å²	76	63%	0.634	49%	0.494	S	S	*	.			trans	-66.1	94.4	161.3	-72.7	-170	-177.7	-155.9	6.3	107.9	G25 G29	G25-R27 VanDerWaalsContact C-N 3.34Å; G25-R27 PolarHBondContact O-N 2.88Å; R27-G29 PolarHBondContact O-N 2.93Å
28	I	35.9	Very low	51.6	Low	149 Å²	149	75.3 Å²	75.3	76%	0.764	48%	0.484	S	S	*	.			trans	-75.6	72.4	166.4	-50.5	-179.6	0	0	0	107.1	V26	V26-I28 VanDerWaalsContact C-N 3.33Å; V26-I28 HydrophobicContact CG1-CD1 4.43Å; V26-I28 HydrophobicContact CG1-CG1 3.69Å; V26-I28 PolarHBondContact O-N 3.47Å
29	G	37.8	Very low	53.8	Low	40 Å²	40	71.9 Å²	71.9	41%	0.412	46%	0.462	S	S	.	.	S	Bend	trans	-114.2	156.8	165.3	0	0	0	0	0	108.1	R27	R27-G29 PolarHBondContact O-N 2.93Å
30	A	41.4	Very low	55.5	Low	75 Å²	75	64.5 Å²	64.5	62%	0.62	42%	0.424	S	S	*	.			trans	-48.3	144.8	165.4	0	0	0	0	0	108.9	T32	A30-T32 PolarHBondContact O-N 3.42Å
31	P	50.2	Low	56.8	Low	90 Å²	90	65 Å²	65	58%	0.584	44%	0.439	S	S	*	.			trans	-60.9	101	179.1	25	-32.4	0	0	0	108.6	V34	P31-V34 HydrophobicContact CB-CG2 3.73Å; P31-V34 HydrophobicContact CG-CG2 4.04Å; P31-V34 WeakPolarHBondContact O-CG2 3.37Å
32	T	65.8	Low	58.7	Low	43 Å²	43	59.9 Å²	59.9	26%	0.264	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	151.9	171	54.3	0	0	0	0	108.8	A30 E124	A30-T32 PolarHBondContact O-N 3.42Å; T32-E124 HydrophobicContact CG2-CB 4.4Å; T32-E124 HydrophobicContact CG2-CG 3.73Å
33	G	74.9	Confident	60.7	Low	0 Å²	0	58.9 Å²	58.9	0%	0	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	20.1	179.4	0	0	0	0	0	114.9	I121 H122 S134	G33-I121 WeakPolarHBondContact O-CG2 3.31Å; G33-H122 VanDerWaalsContact CA-O 3.22Å; G33-H122 WeakPolarHBondContact CA-O 3.4Å; G33-H122 PolarHBondContact N-O 2.96Å; G33-S134 VanDerWaalsContact O-CB 3.25Å; G33-S134 WeakPolarHBondContact O-CB 3.45Å; G33-S134 PolarHBondContact O-OG 2.9Å
34	V	78.9	Confident	63	Low	34 Å²	34	58.7 Å²	58.7	21%	0.206	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.7	174.4	179	0	0	0	0	109.9	P31 H122 L407	P31-V34 HydrophobicContact CB-CG2 3.73Å; P31-V34 HydrophobicContact CG-CG2 4.04Å; P31-V34 WeakPolarHBondContact O-CG2 3.37Å; V34-H122 PolarHBondContact O-N 2.72Å; V34-L407 HydrophobicContact CG1-CD1 4.49Å; V34-L407 HydrophobicContact CG1-CG 4.15Å
35	A	83.9	Confident	65.3	Low	2 Å²	2	53.9 Å²	53.9	2%	0.017	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	146.9	173.6	0	0	0	0	0	111.9	S37 S120 I121 E137 G406	A35-S37 WeakPolarHBondContact CB-O 3.38Å; A35-S37 PolarHBondContact O-N 2.75Å; A35-S120 CarbonylContact C-O 3.57Å; A35-S120 WeakPolarHBondContact CA-O 3.43Å; A35-I121 HydrophobicContact CB-CG1 4.11Å; A35-E137 HydrophobicContact CB-CG 4.27Å; A35-E137 VanDerWaalsContact CB-OE1 3.23Å; A35-E137 WeakPolarHBondContact CB-OE1 3.4Å; A35-G406 WeakPolarHBondContact O-CA 3.35Å; A35-G406 PolarHBondContact O-N 2.88Å
36	C	83.9	Confident	67.4	Low	30 Å²	30	51.5 Å²	51.5	20%	0.203	33%	0.334	C	S	.	.	S	Bend	trans	-65.4	-16.8	175.9	65.2	0	0	0	0	113.7	T83 S120 A405	C36-T83 PolarHBondContact SG-OG1 3.21Å; C36-S120 PolarHBondContact N-O 3.23Å; C36-S120 PolarHBondContact SG-N 3.47Å; C36-A405 WeakPolarHBondContact O-CB 3.48Å
37	S	82.5	Confident	69.1	Low	2 Å²	2	52 Å²	52	1%	0.014	33%	0.333	C	S	.	.	S	Bend	trans	-157.1	161.4	-176.6	66.6	0	0	0	0	111	A35 Y81 R119 G406	A35-S37 WeakPolarHBondContact CB-O 3.38Å; A35-S37 PolarHBondContact O-N 2.75Å; S37-Y81 VanDerWaalsContact CB-CE1 3.46Å; S37-Y81 WeakPolarHBondContact OG-CE1 3.25Å; S37-R119 VanDerWaalsContact O-CD 3.3Å; S37-R119 WeakPolarHBondContact O-CD 3.38Å; S37-R119 PolarHBondContact O-NH1 3.01Å; S37-G406 WeakPolarHBondContact O-CA 3.3Å
38	V	83	Confident	71.1	Confident	13 Å²	13	44.1 Å²	44.1	8%	0.079	30%	0.303	C	S	.	.			trans	-61	156.4	173.7	-61	0	0	0	0	111.2	P40 L52 L53 R119 K408	V38-P40 WeakPolarHBondContact O-CD 3.41Å; V38-L52 HydrophobicContact CG1-CD1 4.38Å; V38-L52 HydrophobicContact CG2-CB 3.89Å; V38-L52 HydrophobicContact CG2-CD1 4.26Å; V38-L53 HydrophobicContact CG2-CD1 4.31Å; V38-L53 HydrophobicContact CG2-CD2 3.54Å; V38-L53 HydrophobicContact CG2-CG 3.69Å; V38-R119 WeakPolarHBondContact O-CD 3.47Å; V38-K408 HydrophobicContact CG1-CB 3.91Å; V38-K408 WeakPolarHBondContact CG1-O 3.36Å
39	C	81.8	Confident	73.9	Confident	53 Å²	53	37 Å²	37	36%	0.358	27%	0.267	S	S	.	.			trans	-54.4	124.9	173.1	-62.5	0	0	0	0	110.3	G41 G42 N50 R119	C39-G41 PolarHBondContact O-N 2.92Å; C39-G42 PolarHBondContact O-N 3.39Å; C39-N50 PolarHBondContact O-ND2 2.89Å; C39-N50 VanDerWaalsContact O-ND2 3.11Å; C39-R119 PolarHBondContact SG-NH1 2.77Å
40	P	76	Confident	76.6	Confident	7 Å²	7	35.1 Å²	35.1	5%	0.045	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-34.8	178.4	-27.3	35.4	0	0	0	113.3	V38 N50 L53 V57 R119	V38-P40 WeakPolarHBondContact O-CD 3.41Å; P40-N50 WeakPolarHBondContact O-CB 3.38Å; P40-N50 PolarHBondContact O-ND2 3.33Å; P40-L53 HydrophobicContact CB-CD1 4.09Å; P40-L53 HydrophobicContact CG-CD1 4.09Å; P40-V57 HydrophobicContact CB-CG1 3.9Å; P40-V57 HydrophobicContact CB-CG2 3.78Å; P40-R119 HydrophobicContact CG-CG 4.37Å
41	G	68.2	Low	79.1	Confident	53 Å²	53	31.6 Å²	31.6	55%	0.546	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	2.3	174.8	0	0	0	0	0	115.7	C39	C39-G41 PolarHBondContact O-N 2.92Å
42	G	76.2	Confident	81.1	Confident	56 Å²	56	28.4 Å²	28.4	58%	0.577	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-47	-169.9	0	0	0	0	0	114.8	C39	C39-G42 PolarHBondContact O-N 3.39Å
43	V	80.4	Confident	82.3	Confident	51 Å²	51	27.3 Å²	27.3	31%	0.309	19%	0.189	S	C	.	.	S	Bend	trans	-125.4	122.4	173.1	177.7	0	0	0	0	106.8	N50 P51 L52 L399 V410	V43-N50 WeakPolarHBondContact O-CA 3.45Å; V43-N50 WeakPolarHBondContact O-CB 3.29Å; V43-N50 PolarHBondContact O-ND2 3.01Å; V43-P51 HydrophobicContact CG1-CG 3.99Å; V43-L52 HydrophobicContact CB-CD1 4.26Å; V43-L52 HydrophobicContact CB-CG 4.46Å; V43-L52 HydrophobicContact CG2-CD1 3.95Å; V43-L399 HydrophobicContact CG1-CD1 4.4Å; V43-V410 HydrophobicContact CG2-CG2 4.48Å
44	T	83.4	Confident	83.2	Confident	75 Å²	75	27.3 Å²	27.3	46%	0.46	19%	0.189	S	C	.	.			trans	-131.2	147.6	179.7	64.5	0	0	0	0	111.1	P48 V49	T44-P48 HydrophobicContact CG2-CB 4.29Å; T44-V49 CarbonylContact C-O 3.54Å; T44-V49 VanDerWaalsContact CA-O 3.32Å; T44-V49 WeakPolarHBondContact CA-O 3.07Å
45	S	81.6	Confident	84	Confident	16 Å²	16	25.8 Å²	25.8	11%	0.112	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-135.2	148.7	176.1	173.9	0	0	0	0	109	N47 V49	S45-N47 PolarHBondContact O-N 2.76Å; S45-V49 PolarHBondContact N-O 3.39Å; S45-V49 PolarHBondContact O-N 2.84Å
46	G	77.8	Confident	84.5	Confident	13 Å²	13	25.7 Å²	25.7	13%	0.134	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	8	177.8	0	0	0	0	0	116.2	Q370	G46-Q370 PolarHBondContact O-NE2 2.88Å; G46-Q370 PolarHBondContact O-OE1 2.55Å
47	N	70.2	Confident	85	Confident	121 Å²	121	24.3 Å²	24.3	65%	0.647	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.7	87.9	-178.5	-165.3	1.2	0	0	0	113.8	S45	S45-N47 PolarHBondContact O-N 2.76Å
48	P	80.4	Confident	85.5	Confident	3 Å²	3	24.5 Å²	24.5	2%	0.019	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	cis	-136.3	103.9	-7.1	15.5	11.2	0	0	0	112.3	T44 V57 L58	T44-P48 HydrophobicContact CG2-CB 4.29Å; P48-V57 WeakPolarHBondContact CB-O 3.45Å; P48-V57 VanDerWaalsContact CD-O 3.23Å; P48-V57 WeakPolarHBondContact CD-O 3.33Å; P48-V57 WeakPolarHBondContact CG-O 3.22Å; P48-V57 PolarHBondContact O-N 3.42Å; P48-L58 HydrophobicContact CG-CD2 4.13Å
49	V	93.9	Very high	85.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.7	161.3	177.4	0	0	0	0	108	T44 S45 P51 A55 Y359 V367 Y380	T44-V49 CarbonylContact C-O 3.54Å; T44-V49 VanDerWaalsContact CA-O 3.32Å; T44-V49 WeakPolarHBondContact CA-O 3.07Å; S45-V49 PolarHBondContact N-O 3.39Å; S45-V49 PolarHBondContact O-N 2.84Å; V49-P51 VanDerWaalsContact O-CD 3.23Å; V49-P51 WeakPolarHBondContact O-CD 3.37Å; V49-A55 CarbonylContact C-O 3.59Å; V49-A55 WeakPolarHBondContact CA-O 2.94Å; V49-Y359 HydrophobicContact CG2-CD1 4.28Å; V49-Y359 HydrophobicContact CG2-CE1 4.1Å; V49-V367 HydrophobicContact CG1-CB 3.96Å; V49-V367 HydrophobicContact CG1-CG1 4.18Å; V49-V367 HydrophobicContact CG1-CG2 4.32Å; V49-V367 HydrophobicContact CG2-CB 4.41Å; V49-V367 HydrophobicContact CG2-CG1 3.86Å; V49-V367 HydrophobicContact CG2-CG2 4.5Å; V49-Y380 HydrophobicContact CB-CE1 4.19Å; V49-Y380 HydrophobicContact CB-CE2 4.13Å; V49-Y380 WeakPolarHBondContact CB-OH 3.43Å; V49-Y380 HydrophobicContact CG1-CD1 4.44Å; V49-Y380 HydrophobicContact CG1-CD2 4.46Å; V49-Y380 HydrophobicContact CG1-CE1 4.01Å; V49-Y380 HydrophobicContact CG1-CE2 4.02Å; V49-Y380 HydrophobicContact CG2-CE2 3.94Å
50	N	94.1	Very high	85.7	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	105.9	168.1	-177.3	-45.4	0	0	0	109.1	C39 P40 V43 L52 L53 G54 A55 V57	C39-N50 PolarHBondContact O-ND2 2.89Å; C39-N50 VanDerWaalsContact O-ND2 3.11Å; P40-N50 WeakPolarHBondContact O-CB 3.38Å; P40-N50 PolarHBondContact O-ND2 3.33Å; V43-N50 WeakPolarHBondContact O-CA 3.45Å; V43-N50 WeakPolarHBondContact O-CB 3.29Å; V43-N50 PolarHBondContact O-ND2 3.01Å; N50-L52 VanDerWaalsContact C-N 3.26Å; N50-L52 PolarHBondContact O-N 3.19Å; N50-L52 WeakPolarHBondContact OD1-CA 3.44Å; N50-L52 WeakPolarHBondContact OD1-CB 3.33Å; N50-L52 PolarHBondContact OD1-N 2.92Å; N50-L53 HydrophobicContact CB-CB 4.39Å; N50-L53 HydrophobicContact CB-CD1 4.43Å; N50-L53 PolarHBondContact O-N 3.31Å; N50-L53 PolarHBondContact OD1-N 3.31Å; N50-L53 VanDerWaalsContact OD1-N 3.1Å; N50-G54 WeakPolarHBondContact O-CA 3.48Å; N50-G54 PolarHBondContact O-N 3.48Å; N50-A55 PolarHBondContact N-O 3.03Å; N50-A55 PolarHBondContact O-N 3.45Å; N50-A55 VanDerWaalsContact O-N 3.08Å; N50-V57 HydrophobicContact CB-CG2 3.88Å
51	P	93.6	Very high	86.4	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.013	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.1	-175.8	26.9	-34.7	0	0	0	113.2	V43 V49 G54 Y382 I387 I389 L399	V43-P51 HydrophobicContact CG1-CG 3.99Å; V49-P51 VanDerWaalsContact O-CD 3.23Å; V49-P51 WeakPolarHBondContact O-CD 3.37Å; P51-G54 PolarHBondContact O-N 3.14Å; P51-Y382 VanDerWaalsContact O-CE1 3.23Å; P51-Y382 WeakPolarHBondContact O-CE1 3.06Å; P51-I387 HydrophobicContact CB-CG2 3.99Å; P51-I389 HydrophobicContact CB-CD1 4.21Å; P51-I389 HydrophobicContact CG-CD1 4.2Å; P51-L399 HydrophobicContact CB-CD1 4.2Å; P51-L399 HydrophobicContact CG-CD1 3.65Å
52	L	92.6	Very high	87.7	Confident	22 Å²	22	30 Å²	30	12%	0.115	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-34.5	178.5	-61.5	-176.6	0	0	0	112.4	V38 V43 N50 I387 T401 V410	V38-L52 HydrophobicContact CG1-CD1 4.38Å; V38-L52 HydrophobicContact CG2-CB 3.89Å; V38-L52 HydrophobicContact CG2-CD1 4.26Å; V43-L52 HydrophobicContact CB-CD1 4.26Å; V43-L52 HydrophobicContact CB-CG 4.46Å; V43-L52 HydrophobicContact CG2-CD1 3.95Å; N50-L52 VanDerWaalsContact C-N 3.26Å; N50-L52 PolarHBondContact O-N 3.19Å; N50-L52 WeakPolarHBondContact OD1-CA 3.44Å; N50-L52 WeakPolarHBondContact OD1-CB 3.33Å; N50-L52 PolarHBondContact OD1-N 2.92Å; L52-I387 HydrophobicContact CD2-CD1 4.11Å; L52-T401 HydrophobicContact CD2-CG2 3.41Å; L52-T401 VanDerWaalsContact CD2-CG2 3.41Å; L52-V410 HydrophobicContact CD1-CG2 4.2Å; L52-V410 HydrophobicContact CD2-CG2 3.85Å; L52-V410 HydrophobicContact CG-CG2 4.4Å
53	L	91.6	Very high	88.7	Confident	20 Å²	20	28.4 Å²	28.4	11%	0.105	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-18.9	174.7	-61.8	179	0	0	0	112.5	V38 P40 N50 A55 Y81	V38-L53 HydrophobicContact CG2-CD1 4.31Å; V38-L53 HydrophobicContact CG2-CD2 3.54Å; V38-L53 HydrophobicContact CG2-CG 3.69Å; P40-L53 HydrophobicContact CB-CD1 4.09Å; P40-L53 HydrophobicContact CG-CD1 4.09Å; N50-L53 HydrophobicContact CB-CB 4.39Å; N50-L53 HydrophobicContact CB-CD1 4.43Å; N50-L53 PolarHBondContact O-N 3.31Å; N50-L53 PolarHBondContact OD1-N 3.31Å; N50-L53 VanDerWaalsContact OD1-N 3.1Å; L53-A55 HydrophobicContact CB-CB 3.66Å; L53-A55 HydrophobicContact CD1-CB 4.36Å; L53-A55 PolarHBondContact O-N 3.37Å; L53-Y81 HydrophobicContact CB-CD2 4Å; L53-Y81 HydrophobicContact CB-CG 4.47Å; L53-Y81 HydrophobicContact CD1-CG 4.23Å; L53-Y81 HydrophobicContact CD2-CD2 3.93Å; L53-Y81 HydrophobicContact CD2-CE2 3.92Å; L53-Y81 HydrophobicContact CD2-CG 4.26Å; L53-Y81 HydrophobicContact CG-CD2 4.37Å
54	G	94.3	Very high	89.4	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.01	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	26.9	-161.6	0	0	0	0	0	112.6	N50 P51 R366 V367 Y382	N50-G54 WeakPolarHBondContact O-CA 3.48Å; N50-G54 PolarHBondContact O-N 3.48Å; P51-G54 PolarHBondContact O-N 3.14Å; G54-R366 CarbonylContact O-C 3.6Å; G54-R366 WeakPolarHBondContact O-CA 3.23Å; G54-V367 PolarHBondContact O-N 3.39Å; G54-Y382 VanDerWaalsContact CA-OH 3.29Å; G54-Y382 WeakPolarHBondContact CA-OH 3.38Å
55	A	94.5	Very high	89.9	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140.8	-169.8	0	0	0	0	0	111.7	V49 N50 L53 V57 S80	V49-A55 CarbonylContact C-O 3.59Å; V49-A55 WeakPolarHBondContact CA-O 2.94Å; N50-A55 PolarHBondContact N-O 3.03Å; N50-A55 PolarHBondContact O-N 3.45Å; N50-A55 VanDerWaalsContact O-N 3.08Å; L53-A55 HydrophobicContact CB-CB 3.66Å; L53-A55 HydrophobicContact CD1-CB 4.36Å; L53-A55 PolarHBondContact O-N 3.37Å; A55-V57 HydrophobicContact CB-CG2 4.25Å; A55-V57 PolarHBondContact O-N 3.19Å; A55-S80 WeakPolarHBondContact CA-OG 3.34Å
56	K	95.3	Very high	90.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	123.1	161.2	175.3	58.4	178.6	68.7	0	107.9	Y78 S79 S80 Y359 Y361 V367	K56-Y78 HydrophobicContact CB-CE1 4.25Å; K56-Y78 HydrophobicContact CG-CD1 4.25Å; K56-Y78 HydrophobicContact CG-CE1 4.01Å; K56-S79 CarbonylContact O-C 3.58Å; K56-S79 WeakPolarHBondContact O-CA 3.28Å; K56-S80 PolarHBondContact N-OG 2.92Å; K56-S80 PolarHBondContact O-N 3.44Å; K56-Y359 HydrophobicContact CD-CD1 3.88Å; K56-Y359 HydrophobicContact CD-CD2 4.26Å; K56-Y359 HydrophobicContact CD-CE1 3.47Å; K56-Y359 VanDerWaalsContact CD-CE1 3.47Å; K56-Y359 HydrophobicContact CD-CE2 3.94Å; K56-Y359 HydrophobicContact CD-CG 4.25Å; K56-Y359 VanDerWaalsContact CE-CE2 3.42Å; K56-Y359 WeakPolarHBondContact CE-OH 3.35Å; K56-Y361 HydrophobicContact CB-CE1 4.48Å; K56-Y361 VanDerWaalsContact CB-OH 3.24Å; K56-Y361 WeakPolarHBondContact CB-OH 3.3Å; K56-V367 HydrophobicContact CB-CG2 3.94Å
57	V	93.6	Very high	91.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	143.7	178.4	-178.4	0	0	0	0	108	P40 P48 N50 A55 Y78	P40-V57 HydrophobicContact CB-CG1 3.9Å; P40-V57 HydrophobicContact CB-CG2 3.78Å; P48-V57 WeakPolarHBondContact CB-O 3.45Å; P48-V57 VanDerWaalsContact CD-O 3.23Å; P48-V57 WeakPolarHBondContact CD-O 3.33Å; P48-V57 WeakPolarHBondContact CG-O 3.22Å; P48-V57 PolarHBondContact O-N 3.42Å; N50-V57 HydrophobicContact CB-CG2 3.88Å; A55-V57 HydrophobicContact CB-CG2 4.25Å; A55-V57 PolarHBondContact O-N 3.19Å; V57-Y78 CarbonylContact C-O 3.53Å; V57-Y78 VanDerWaalsContact CA-O 3.29Å; V57-Y78 WeakPolarHBondContact CA-O 3.23Å
58	L	92.2	Very high	92.6	Very high	6 Å²	6	21.9 Å²	21.9	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.9	157.3	-67.9	169.1	0	0	0	105.9	P48 T77 Y78 W96 F336 M346	P48-L58 HydrophobicContact CG-CD2 4.13Å; L58-T77 WeakPolarHBondContact O-CG2 3.38Å; L58-Y78 PolarHBondContact N-O 3.41Å; L58-Y78 PolarHBondContact O-N 2.93Å; L58-Y78 VanDerWaalsContact O-N 3.08Å; L58-W96 HydrophobicContact CD1-CH2 3.51Å; L58-W96 HydrophobicContact CD1-CZ2 4.39Å; L58-W96 HydrophobicContact CD1-CZ3 4.17Å; L58-F336 HydrophobicContact CD1-CE1 3.92Å; L58-M346 HydrophobicContact CD1-CE 3.83Å; L58-M346 HydrophobicContact CD1-SD 4.09Å
59	P	84.3	Confident	93.2	Very high	74 Å²	74	22.6 Å²	22.6	48%	0.481	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	165.2	174.3	29.5	-35.6	0	0	0	109.7	E61	P59-E61 PolarHBondContact O-N 3.23Å
60	G	85	Confident	93.2	Very high	48 Å²	48	23.8 Å²	23.8	50%	0.495	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	111.7	179.5	0	0	0	0	0	111.2	T77	G60-T77 WeakPolarHBondContact CA-OG1 3.49Å
61	E	91.6	Very high	93.3	Very high	41 Å²	41	25.6 Å²	25.6	19%	0.192	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.5	174.1	-177.9	177	-146.3	0	0	108.5	P59 S75 R76 R334 Y351	P59-E61 PolarHBondContact O-N 3.23Å; E61-S75 CarbonylContact O-C 3.3Å; E61-S75 WeakPolarHBondContact O-CA 3.21Å; E61-S75 WeakPolarHBondContact O-CB 3.47Å; E61-R76 PolarHBondContact N-O 3.29Å; E61-R76 PolarHBondContact O-N 3.14Å; E61-R76 IonicContact OE2-NH2 3.8Å; E61-R76 PolarHBondContact OE2-NH2 3.39Å; E61-R334 WeakPolarHBondContact OE1-CD 3.32Å; E61-R334 IonicContact OE1-CZ 3.96Å; E61-R334 IonicContact OE1-NE 3.01Å; E61-R334 IonicContact OE1-NH1 2.89Å; E61-R334 PolarHBondContact OE1-NH1 3.36Å; E61-R334 IonicContact OE2-CZ 2.74Å; E61-R334 IonicContact OE2-NE 3.34Å; E61-R334 IonicContact OE2-NH1 2.77Å; E61-R334 PolarHBondContact OE2-NH1 2.88Å; E61-Y351 WeakPolarHBondContact OE1-CE1 3.46Å
62	T	95.6	Very high	93.5	Very high	78 Å²	78	25.9 Å²	25.9	48%	0.479	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.6	178.2	-62	0	0	0	0	109.5	F64 A65 I73	T62-F64 WeakPolarHBondContact CG2-O 3.36Å; T62-A65 HydrophobicContact CG2-CB 3.89Å; T62-I73 HydrophobicContact CG2-CG2 3.82Å
63	D	96.4	Very high	93.6	Very high	24 Å²	24	28.4 Å²	28.4	13%	0.128	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-34.5	175.4	-59.9	-30.4	0	0	0	111.3	L74 R76 V312 Y314 V325	D63-L74 PolarHBondContact N-O 3.06Å; D63-R76 IonicContact OD1-CZ 3.64Å; D63-R76 IonicContact OD1-NE 3.96Å; D63-R76 PolarHBondContact OD1-NE 3.05Å; D63-R76 IonicContact OD1-NH2 2.93Å; D63-R76 WeakPolarHBondContact OD2-CD 3.26Å; D63-R76 IonicContact OD2-NE 2.88Å; D63-R76 PolarHBondContact OD2-NE 2.87Å; D63-V312 HydrophobicContact CB-CG2 3.95Å; D63-Y314 WeakPolarHBondContact CB-OH 3.44Å; D63-Y314 WeakPolarHBondContact OD2-CE1 3.44Å; D63-Y314 PolarHBondContact OD2-OH 3.29Å; D63-V325 HydrophobicContact CB-CG1 4.31Å
64	F	95.1	Very high	93.8	Very high	18 Å²	18	27.6 Å²	27.6	8%	0.079	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	155.3	163.6	83.3	-89	0	0	0	111.9	T62 F72 L74 F245 V294 L311 V312	T62-F64 WeakPolarHBondContact CG2-O 3.36Å; F64-F72 HydrophobicContact CE1-CE1 4.12Å; F64-F72 HydrophobicContact CE2-CD1 4.24Å; F64-F72 AromaticContact CZ-CD1 3.58Å; F64-F72 HydrophobicContact CZ-CD1 3.58Å; F64-F72 AromaticContact CZ-CE1 3.53Å; F64-F72 HydrophobicContact CZ-CE1 3.53Å; F64-F72 HydrophobicContact CZ-CG 4.42Å; F64-F72 HydrophobicContact CZ-CZ 4.32Å; F64-L74 HydrophobicContact CD1-CB 3.52Å; F64-L74 HydrophobicContact CD1-CD2 4.01Å; F64-L74 HydrophobicContact CD1-CG 4.38Å; F64-L74 HydrophobicContact CE1-CB 3.25Å; F64-L74 HydrophobicContact CE1-CD2 3.62Å; F64-L74 HydrophobicContact CE1-CG 4.09Å; F64-L74 HydrophobicContact CG-CB 4.47Å; F64-L74 HydrophobicContact CZ-CB 4.01Å; F64-L74 PolarHBondContact O-N 3.33Å; F64-L74 VanDerWaalsContact O-N 3.14Å; F64-F245 HydrophobicContact CE2-CD1 4.29Å; F64-F245 AromaticContact CE2-CE1 4Å; F64-F245 HydrophobicContact CE2-CE1 4Å; F64-F245 HydrophobicContact CZ-CD1 4.3Å; F64-F245 HydrophobicContact CZ-CE1 4.45Å; F64-V294 HydrophobicContact CE1-CB 3.98Å; F64-V294 HydrophobicContact CE1-CG1 3.8Å; F64-V294 HydrophobicContact CE1-CG2 4.08Å; F64-V294 HydrophobicContact CZ-CB 4.49Å; F64-V294 HydrophobicContact CZ-CG1 3.83Å; F64-L311 HydrophobicContact CD1-CB 4.49Å; F64-L311 HydrophobicContact CD2-CB 4.32Å; F64-L311 HydrophobicContact CD2-CD1 3.83Å; F64-L311 HydrophobicContact CE2-CD1 3.71Å; F64-L311 HydrophobicContact CG-CB 4.2Å; F64-L311 HydrophobicContact CG-CD1 4.5Å; F64-L311 HydrophobicContact CZ-CD1 4.25Å; F64-V312 HydrophobicContact CD1-CB 4.31Å; F64-V312 HydrophobicContact CD1-CG1 3.63Å; F64-V312 HydrophobicContact CE1-CG1 4.11Å
65	A	95.1	Very high	93.9	Very high	53 Å²	53	28.5 Å²	28.5	44%	0.438	19%	0.186	S	C	.	.			trans	-148.3	144.8	171	0	0	0	0	0	109.7	T62 I73	T62-A65 HydrophobicContact CG2-CB 3.89Å; A65-I73 HydrophobicContact CB-CG1 4.03Å; A65-I73 HydrophobicContact CB-CG2 4.26Å
66	L	95.7	Very high	93.9	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.042	19%	0.185	C	C	.	.			trans	-123.7	142.6	167.4	-59.1	178.9	0	0	0	108.5	P71 R243 F245 L296 L311 F557	L66-P71 VanDerWaalsContact O-CB 3.31Å; L66-P71 WeakPolarHBondContact O-CB 3.43Å; L66-R243 VanDerWaalsContact CB-CZ 3.48Å; L66-R243 VanDerWaalsContact CB-NH1 3.27Å; L66-R243 PolarHBondContact O-NH2 3.19Å; L66-F245 HydrophobicContact CD1-CE1 3.84Å; L66-F245 HydrophobicContact CD1-CZ 4.06Å; L66-L296 HydrophobicContact CD1-CD2 4.27Å; L66-L311 HydrophobicContact CD1-CD1 4.22Å; L66-F557 HydrophobicContact CD2-CB 4.42Å; L66-F557 HydrophobicContact CD2-CD1 4.16Å
67	P	95.6	Very high	93.8	Very high	43 Å²	43	29.6 Å²	29.6	28%	0.279	19%	0.192	S	C	.	.			trans	-66.3	148.9	-178.5	28.4	-34.7	0	0	0	111.1	R243 Y536 Q538	P67-R243 PolarHBondContact O-NH1 2.91Å; P67-R243 PolarHBondContact O-NH2 3.47Å; P67-Y536 CarbonylContact C-O 3.58Å; P67-Q538 HydrophobicContact CB-CG 4.29Å; P67-Q538 HydrophobicContact CG-CG 4.28Å
68	G	94.9	Very high	93.9	Very high	16 Å²	16	29.6 Å²	29.6	17%	0.165	19%	0.192	C	C	.	.	S	Bend	trans	163.2	160	179.1	0	0	0	0	0	111.9	P71 Y536	G68-P71 WeakPolarHBondContact O-CD 3.42Å; G68-P71 WeakPolarHBondContact O-CG 3.14Å; G68-Y536 VanDerWaalsContact CA-O 3.23Å; G68-Y536 WeakPolarHBondContact CA-O 3.18Å; G68-Y536 PolarHBondContact N-O 2.98Å; G68-Y536 VanDerWaalsContact N-O 3.16Å
69	P	92.6	Very high	94	Very high	18 Å²	18	29.8 Å²	29.8	12%	0.117	19%	0.194	C	C	.	.	S	Bend	trans	-63.9	136.6	163.9	28.7	-35.7	0	0	0	110.3	P71 R218 G240 A241 R535	P69-P71 VanDerWaalsContact C-N 3.35Å; P69-R218 VanDerWaalsContact CB-NH1 3.33Å; P69-G240 CarbonylContact O-C 3.51Å; P69-G240 WeakPolarHBondContact O-CA 3.11Å; P69-G240 PolarHBondContact O-N 3.24Å; P69-A241 HydrophobicContact CG-CB 4.42Å; P69-R535 VanDerWaalsContact CD-O 3.23Å; P69-R535 WeakPolarHBondContact CD-O 3.4Å
70	L	94.1	Very high	94.5	Very high	25 Å²	25	26.5 Å²	26.5	13%	0.131	17%	0.173	C	C	.	.	S	Bend	trans	39.8	60.2	-172	-69	177.1	0	0	0	112.4	P182 L212 D214 R218 L220 G240	L70-P182 HydrophobicContact CD2-CB 4.22Å; L70-P182 HydrophobicContact CD2-CG 4.49Å; L70-L212 HydrophobicContact CD1-CB 4.47Å; L70-L212 HydrophobicContact CD2-CB 4.36Å; L70-L212 HydrophobicContact CD2-CD1 4.34Å; L70-D214 HydrophobicContact CD1-CB 3.93Å; L70-D214 HydrophobicContact CD2-CB 4.18Å; L70-D214 HydrophobicContact CG-CB 4.17Å; L70-R218 HydrophobicContact CD1-CB 4.17Å; L70-R218 WeakPolarHBondContact CD1-O 3.4Å; L70-L220 HydrophobicContact CB-CB 4.21Å; L70-G240 PolarHBondContact O-N 3.11Å
71	P	96.1	Very high	94.8	Very high	38 Å²	38	27.7 Å²	27.7	25%	0.247	16%	0.163	C	C	.	.			trans	-69.2	146.4	-171.9	29.4	-30.4	0	0	0	110.2	L66 G68 P69 I73	L66-P71 VanDerWaalsContact O-CB 3.31Å; L66-P71 WeakPolarHBondContact O-CB 3.43Å; G68-P71 WeakPolarHBondContact O-CD 3.42Å; G68-P71 WeakPolarHBondContact O-CG 3.14Å; P69-P71 VanDerWaalsContact C-N 3.35Å; P71-I73 HydrophobicContact CB-CG1 4.22Å; P71-I73 HydrophobicContact CG-CD1 3.88Å; P71-I73 HydrophobicContact CG-CG1 3.95Å; P71-I73 PolarHBondContact O-N 3.13Å
72	F	96.5	Very high	94.7	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.035	16%	0.164	C	C	.	.			trans	-74.7	99.4	165.8	-179.2	-143.7	0	0	0	109.2	F64 L74 L220 F222 V237 D239 F245 L247 V294	F64-F72 HydrophobicContact CE1-CE1 4.12Å; F64-F72 HydrophobicContact CE2-CD1 4.24Å; F64-F72 AromaticContact CZ-CD1 3.58Å; F64-F72 HydrophobicContact CZ-CD1 3.58Å; F64-F72 AromaticContact CZ-CE1 3.53Å; F64-F72 HydrophobicContact CZ-CE1 3.53Å; F64-F72 HydrophobicContact CZ-CG 4.42Å; F64-F72 HydrophobicContact CZ-CZ 4.32Å; F72-L74 HydrophobicContact CE2-CB 4.4Å; F72-L74 HydrophobicContact CE2-CD1 4.27Å; F72-L74 HydrophobicContact CZ-CB 4.2Å; F72-L74 HydrophobicContact CZ-CD1 4.05Å; F72-L220 HydrophobicContact CB-CD1 3.92Å; F72-F222 HydrophobicContact CD2-CE1 4.35Å; F72-F222 HydrophobicContact CE2-CE1 4.16Å; F72-V237 HydrophobicContact CB-CG1 3.95Å; F72-V237 HydrophobicContact CD1-CB 3.93Å; F72-V237 HydrophobicContact CD1-CG1 3.94Å; F72-V237 HydrophobicContact CD1-CG2 4.22Å; F72-V237 HydrophobicContact CD2-CG1 3.96Å; F72-V237 HydrophobicContact CD2-CG2 4.46Å; F72-V237 HydrophobicContact CE1-CB 4.08Å; F72-V237 HydrophobicContact CE1-CG1 4.44Å; F72-V237 HydrophobicContact CE1-CG2 3.89Å; F72-V237 HydrophobicContact CE2-CG1 4.48Å; F72-V237 HydrophobicContact CE2-CG2 4.17Å; F72-V237 HydrophobicContact CG-CB 4.19Å; F72-V237 HydrophobicContact CG-CG1 3.68Å; F72-V237 HydrophobicContact CG-CG2 4.5Å; F72-V237 HydrophobicContact CZ-CB 4.49Å; F72-V237 HydrophobicContact CZ-CG2 3.88Å; F72-D239 HydrophobicContact CB-CB 4.23Å; F72-F245 HydrophobicContact CB-CD2 4.21Å; F72-F245 HydrophobicContact CB-CE2 3.94Å; F72-F245 HydrophobicContact CB-CZ 4.38Å; F72-F245 HydrophobicContact CD1-CB 4.12Å; F72-F245 HydrophobicContact CD1-CD1 4.14Å; F72-F245 AromaticContact CD1-CD2 3.79Å; F72-F245 HydrophobicContact CD1-CD2 3.79Å; F72-F245 HydrophobicContact CD1-CE2 4.23Å; F72-F245 AromaticContact CD1-CG 3.75Å; F72-F245 HydrophobicContact CD1-CG 3.75Å; F72-F245 HydrophobicContact CE1-CB 4.28Å; F72-F245 HydrophobicContact CE1-CG 4.35Å; F72-F245 HydrophobicContact CG-CD2 4.46Å; F72-L247 HydrophobicContact CE1-CD1 4.18Å; F72-L247 HydrophobicContact CZ-CD1 4.4Å; F72-V294 HydrophobicContact CE1-CG1 4.34Å
73	I	95.6	Very high	94.3	Very high	76 Å²	76	25.4 Å²	25.4	39%	0.39	15%	0.145	S	C	.	.			trans	-100.3	112.1	172.1	-60.4	175.1	0	0	0	107.3	T62 A65 P71 S75	T62-I73 HydrophobicContact CG2-CG2 3.82Å; A65-I73 HydrophobicContact CB-CG1 4.03Å; A65-I73 HydrophobicContact CB-CG2 4.26Å; P71-I73 HydrophobicContact CB-CG1 4.22Å; P71-I73 HydrophobicContact CG-CD1 3.88Å; P71-I73 HydrophobicContact CG-CG1 3.95Å; P71-I73 PolarHBondContact O-N 3.13Å; I73-S75 PolarHBondContact O-N 2.94Å
74	L	96.4	Very high	93.8	Very high	3 Å²	3	34 Å²	34	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	103.2	173.1	-171.3	59	0	0	0	108.5	D63 F64 F72 F92 L291 V294 V312 Y314	D63-L74 PolarHBondContact N-O 3.06Å; F64-L74 HydrophobicContact CD1-CB 3.52Å; F64-L74 HydrophobicContact CD1-CD2 4.01Å; F64-L74 HydrophobicContact CD1-CG 4.38Å; F64-L74 HydrophobicContact CE1-CB 3.25Å; F64-L74 HydrophobicContact CE1-CD2 3.62Å; F64-L74 HydrophobicContact CE1-CG 4.09Å; F64-L74 HydrophobicContact CG-CB 4.47Å; F64-L74 HydrophobicContact CZ-CB 4.01Å; F64-L74 PolarHBondContact O-N 3.33Å; F64-L74 VanDerWaalsContact O-N 3.14Å; F72-L74 HydrophobicContact CE2-CB 4.4Å; F72-L74 HydrophobicContact CE2-CD1 4.27Å; F72-L74 HydrophobicContact CZ-CB 4.2Å; F72-L74 HydrophobicContact CZ-CD1 4.05Å; L74-F92 HydrophobicContact CD1-CE2 3.8Å; L74-F92 HydrophobicContact CD1-CZ 3.77Å; L74-F92 HydrophobicContact CD2-CZ 4.01Å; L74-F92 HydrophobicContact CG-CE2 4.41Å; L74-F92 HydrophobicContact CG-CZ 3.91Å; L74-L291 HydrophobicContact CD2-CD2 3.83Å; L74-V294 HydrophobicContact CD2-CG2 3.77Å; L74-V312 HydrophobicContact CD2-CG1 4.19Å; L74-Y314 HydrophobicContact CD2-CE2 4.41Å; L74-Y314 WeakPolarHBondContact CD2-OH 3.42Å
75	S	95.2	Very high	93.5	Very high	20 Å²	20	34 Å²	34	14%	0.14	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.8	175.1	56.9	0	0	0	0	110.6	E61 I73 P99	E61-S75 CarbonylContact O-C 3.3Å; E61-S75 WeakPolarHBondContact O-CA 3.21Å; E61-S75 WeakPolarHBondContact O-CB 3.47Å; I73-S75 PolarHBondContact O-N 2.94Å; S75-P99 WeakPolarHBondContact O-CD 3.42Å; S75-P99 WeakPolarHBondContact OG-CG 3.43Å
76	R	94.6	Very high	93.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.6	-179.2	56	-174	-168.8	86.1	34	110.7	E61 D63 F92 W96 K97	E61-R76 PolarHBondContact N-O 3.29Å; E61-R76 PolarHBondContact O-N 3.14Å; E61-R76 IonicContact OE2-NH2 3.8Å; E61-R76 PolarHBondContact OE2-NH2 3.39Å; D63-R76 IonicContact OD1-CZ 3.64Å; D63-R76 IonicContact OD1-NE 3.96Å; D63-R76 PolarHBondContact OD1-NE 3.05Å; D63-R76 IonicContact OD1-NH2 2.93Å; D63-R76 WeakPolarHBondContact OD2-CD 3.26Å; D63-R76 IonicContact OD2-NE 2.88Å; D63-R76 PolarHBondContact OD2-NE 2.87Å; R76-F92 HydrophobicContact CB-CD2 4.19Å; R76-F92 HydrophobicContact CB-CE2 4.16Å; R76-F92 HydrophobicContact CB-CG 4.48Å; R76-F92 HydrophobicContact CB-CZ 4.43Å; R76-W96 HydrophobicContact CB-CE3 4.16Å; R76-W96 HydrophobicContact CG-CE3 4.23Å; R76-W96 HydrophobicContact CG-CZ3 4.22Å; R76-K97 CarbonylContact C-O 3.43Å; R76-K97 WeakPolarHBondContact CA-O 3.34Å
77	T	94	Very high	93.1	Very high	24 Å²	24	33.3 Å²	33.3	15%	0.147	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.4	178.4	-55.9	0	0	0	0	107.5	L58 G60 W96 K97	L58-T77 WeakPolarHBondContact O-CG2 3.38Å; G60-T77 WeakPolarHBondContact CA-OG1 3.49Å; T77-W96 CarbonylContact O-C 3.51Å; T77-W96 WeakPolarHBondContact O-CA 3.24Å; T77-K97 PolarHBondContact N-O 3.03Å; T77-K97 PolarHBondContact O-N 3.49Å
78	Y	95.2	Very high	92.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141.1	172.7	-179.8	-99.4	0	0	0	110.4	K56 V57 L58 G95 W96 G344 R345 M346	K56-Y78 HydrophobicContact CB-CE1 4.25Å; K56-Y78 HydrophobicContact CG-CD1 4.25Å; K56-Y78 HydrophobicContact CG-CE1 4.01Å; V57-Y78 CarbonylContact C-O 3.53Å; V57-Y78 VanDerWaalsContact CA-O 3.29Å; V57-Y78 WeakPolarHBondContact CA-O 3.23Å; L58-Y78 PolarHBondContact N-O 3.41Å; L58-Y78 PolarHBondContact O-N 2.93Å; L58-Y78 VanDerWaalsContact O-N 3.08Å; Y78-G95 WeakPolarHBondContact CD2-O 3.41Å; Y78-W96 AromaticContact CD2-CD2 3.85Å; Y78-W96 HydrophobicContact CD2-CD2 3.85Å; Y78-W96 AromaticContact CD2-CE2 3.7Å; Y78-W96 HydrophobicContact CD2-CE3 4.35Å; Y78-W96 HydrophobicContact CD2-CG 4.16Å; Y78-W96 HydrophobicContact CD2-CZ2 4.09Å; Y78-W96 AromaticContact CD2-NE1 3.89Å; Y78-W96 HydrophobicContact CG-CD2 4.42Å; Y78-W96 HydrophobicContact CG-CE3 4.49Å; Y78-W96 HydrophobicContact CG-CH2 4.4Å; Y78-W96 HydrophobicContact CG-CZ2 4.36Å; Y78-W96 HydrophobicContact CG-CZ3 4.48Å; Y78-G344 WeakPolarHBondContact CE2-O 3.25Å; Y78-G344 PolarHBondContact OH-O 2.86Å; Y78-R345 WeakPolarHBondContact OH-CA 3.48Å; Y78-M346 HydrophobicContact CD1-CE 3.98Å; Y78-M346 HydrophobicContact CD1-SD 4.44Å; Y78-M346 HydrophobicContact CD2-CE 3.93Å; Y78-M346 HydrophobicContact CE1-CB 3.75Å; Y78-M346 HydrophobicContact CE1-CE 4.22Å; Y78-M346 HydrophobicContact CE1-SD 4.46Å; Y78-M346 HydrophobicContact CE2-CB 4.18Å; Y78-M346 HydrophobicContact CE2-CE 4.17Å; Y78-M346 HydrophobicContact CG-CE 3.84Å; Y78-M346 PolarHBondContact OH-N 2.87Å
79	S	93.9	Very high	92.9	Very high	10 Å²	10	33.7 Å²	33.7	7%	0.07	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	127.9	165.8	-176.4	0	0	0	0	110.2	K56 Y81 G95 Y283	K56-S79 CarbonylContact O-C 3.58Å; K56-S79 WeakPolarHBondContact O-CA 3.28Å; S79-Y81 PolarHBondContact O-N 2.82Å; S79-Y81 WeakPolarHBondContact OG-CB 3.37Å; S79-Y81 PolarHBondContact OG-N 2.91Å; S79-G95 PolarHBondContact N-O 2.84Å; S79-Y283 WeakPolarHBondContact O-CE1 3.33Å
80	S	94.7	Very high	92.9	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.035	17%	0.173	C	C	.	.			trans	-76.3	-10.3	171.3	77.2	0	0	0	0	112.5	A55 K56 Y283	A55-S80 WeakPolarHBondContact CA-OG 3.34Å; K56-S80 PolarHBondContact N-OG 2.92Å; K56-S80 PolarHBondContact O-N 3.44Å; S80-Y283 PolarHBondContact O-OH 2.83Å
81	Y	91.7	Very high	93	Very high	73 Å²	73	32.3 Å²	32.3	29%	0.286	17%	0.168	S	C	.	.			trans	-65.3	136.2	179.3	-176.5	-106.3	0	0	0	111.2	S37 L53 S79	S37-Y81 VanDerWaalsContact CB-CE1 3.46Å; S37-Y81 WeakPolarHBondContact OG-CE1 3.25Å; L53-Y81 HydrophobicContact CB-CD2 4Å; L53-Y81 HydrophobicContact CB-CG 4.47Å; L53-Y81 HydrophobicContact CD1-CG 4.23Å; L53-Y81 HydrophobicContact CD2-CD2 3.93Å; L53-Y81 HydrophobicContact CD2-CE2 3.92Å; L53-Y81 HydrophobicContact CD2-CG 4.26Å; L53-Y81 HydrophobicContact CG-CD2 4.37Å; S79-Y81 PolarHBondContact O-N 2.82Å; S79-Y81 WeakPolarHBondContact OG-CB 3.37Å; S79-Y81 PolarHBondContact OG-N 2.91Å
82	R	88.9	Confident	93	Very high	58 Å²	58	30.5 Å²	30.5	22%	0.219	16%	0.157	C	C	.	.			trans	-105.9	100.4	-177.8	-62	169.6	-176.9	-175.5	1.9	109.4	E282 Y283	R82-E282 WeakPolarHBondContact CD-OE2 3.43Å; R82-E282 HydrophobicContact CG-CB 4.22Å; R82-E282 IonicContact CZ-OE2 2.79Å; R82-E282 IonicContact NE-OE2 3.77Å; R82-E282 VanDerWaalsContact NH1-CD 3.34Å; R82-E282 IonicContact NH1-OE2 3.15Å; R82-E282 PolarHBondContact NH1-OE2 3.12Å; R82-Y283 HydrophobicContact CG-CE1 4.29Å
83	T	87.5	Confident	93	Very high	14 Å²	14	30.1 Å²	30.1	9%	0.086	16%	0.155	C	C	.	.			trans	-68.6	149.9	171.5	-178.3	0	0	0	0	110.4	C36 T85 P86 G118 S120	C36-T83 PolarHBondContact SG-OG1 3.21Å; T83-T85 VanDerWaalsContact C-N 3.3Å; T83-T85 PolarHBondContact O-N 3.27Å; T83-P86 HydrophobicContact CG2-CB 3.79Å; T83-P86 WeakPolarHBondContact O-CD 3.43Å; T83-G118 VanDerWaalsContact CG2-O 3.27Å; T83-G118 WeakPolarHBondContact CG2-O 3.38Å; T83-S120 PolarHBondContact OG1-OG 3.26Å
84	K	86	Confident	93	Very high	204 Å²	204	26.6 Å²	26.6	89%	0.887	14%	0.137	S	C	*	.	S	Bend	trans	-72	-24.1	179.1	-67.7	-177.2	178.8	178.9	0	113.3	P86	K84-P86 WeakPolarHBondContact O-CD 3.48Å
85	T	89.1	Confident	92.9	Very high	17 Å²	17	26.6 Å²	26.6	10%	0.104	14%	0.138	C	C	.	.	S	Bend	trans	-124.5	60	-177.1	50.6	0	0	0	0	110.4	T83 Q105 I112 N114 S120	T83-T85 VanDerWaalsContact C-N 3.3Å; T83-T85 PolarHBondContact O-N 3.27Å; T85-Q105 PolarHBondContact O-NE2 2.93Å; T85-I112 HydrophobicContact CG2-CD1 3.98Å; T85-N114 PolarHBondContact O-ND2 2.76Å; T85-S120 PolarHBondContact O-OG 3.12Å; T85-S120 WeakPolarHBondContact OG1-CB 3.18Å; T85-S120 PolarHBondContact OG1-OG 2.82Å
86	P	91.3	Very high	92.9	Very high	41 Å²	41	25.7 Å²	25.7	27%	0.266	13%	0.131	S	C	.	.	P	Polyproline II helix	trans	-67.6	145.7	-175.1	30.4	-34.2	0	0	0	110.9	T83 K84	T83-P86 HydrophobicContact CG2-CB 3.79Å; T83-P86 WeakPolarHBondContact O-CD 3.43Å; K84-P86 WeakPolarHBondContact O-CD 3.48Å
87	A	91.1	Very high	92.9	Very high	7 Å²	7	26.8 Å²	26.8	6%	0.058	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-67.2	164.5	160.7	0	0	0	0	0	110.3	H103 N114	A87-H103 HydrophobicContact CB-CB 3.98Å; A87-N114 HydrophobicContact CB-CB 3.83Å
88	P	92.5	Very high	92.8	Very high	63 Å²	63	25.6 Å²	25.6	41%	0.409	13%	0.129	S	C	.	.	P	Polyproline II helix	trans	-53.1	151.1	167.3	-25.3	35.5	0	0	0	112.5	G90 R285	P88-G90 PolarHBondContact O-N 3.45Å; P88-R285 CarbonylContact C-O 3.53Å; P88-R285 WeakPolarHBondContact CA-O 3.21Å
89	V	94.1	Very high	92.6	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.024	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-66.2	125.1	173.4	172.2	0	0	0	0	108.8	P94 R285 D286	V89-P94 HydrophobicContact CG1-CB 4.46Å; V89-P94 HydrophobicContact CG2-CB 4.27Å; V89-R285 PolarHBondContact N-O 2.83Å; V89-D286 HydrophobicContact CB-CB 3.95Å; V89-D286 HydrophobicContact CG1-CB 4.39Å; V89-D286 HydrophobicContact CG2-CB 4.01Å
90	G	92.7	Very high	92.5	Very high	9 Å²	9	27.6 Å²	27.6	9%	0.093	14%	0.142	C	C	.	.			trans	-81.1	-176.2	178.6	0	0	0	0	0	113.3	P88 F92 G93	P88-G90 PolarHBondContact O-N 3.45Å; G90-F92 PolarHBondContact O-N 3.27Å; G90-G93 PolarHBondContact O-N 3.2Å
91	I	95.2	Very high	92.3	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-15	-177.1	57.7	175.9	0	0	0	114.8	L247 L249 R290 L291 W316	I91-L247 HydrophobicContact CD1-CD2 3.96Å; I91-L249 HydrophobicContact CG2-CD2 4.04Å; I91-R290 WeakPolarHBondContact O-CA 3.48Å; I91-L291 HydrophobicContact CB-CB 4.13Å; I91-L291 HydrophobicContact CD1-CB 4.17Å; I91-L291 HydrophobicContact CD1-CD2 4.14Å; I91-L291 HydrophobicContact CG1-CB 4.35Å; I91-L291 PolarHBondContact O-N 2.88Å; I91-W316 WeakPolarHBondContact O-CH2 3.11Å
92	F	96.4	Very high	92.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-2.3	175.3	-74	-63.2	0	0	0	115.2	L74 R76 G90 W96 A98 L291 Y314 W316 L322	L74-F92 HydrophobicContact CD1-CE2 3.8Å; L74-F92 HydrophobicContact CD1-CZ 3.77Å; L74-F92 HydrophobicContact CD2-CZ 4.01Å; L74-F92 HydrophobicContact CG-CE2 4.41Å; L74-F92 HydrophobicContact CG-CZ 3.91Å; R76-F92 HydrophobicContact CB-CD2 4.19Å; R76-F92 HydrophobicContact CB-CE2 4.16Å; R76-F92 HydrophobicContact CB-CG 4.48Å; R76-F92 HydrophobicContact CB-CZ 4.43Å; G90-F92 PolarHBondContact O-N 3.27Å; F92-W96 HydrophobicContact CB-CB 3.53Å; F92-W96 HydrophobicContact CB-CG 4.24Å; F92-A98 HydrophobicContact CD2-CB 3.91Å; F92-A98 HydrophobicContact CE2-CB 3.83Å; F92-L291 HydrophobicContact CE1-CD2 4.15Å; F92-L291 HydrophobicContact CZ-CD2 4.04Å; F92-Y314 HydrophobicContact CD1-CE1 4.42Å; F92-Y314 HydrophobicContact CE1-CD1 4.15Å; F92-Y314 AromaticContact CE1-CE1 3.57Å; F92-Y314 HydrophobicContact CE1-CE1 3.57Å; F92-Y314 HydrophobicContact CE1-CE2 4.1Å; F92-Y314 AromaticContact CE1-CZ 3.52Å; F92-Y314 HydrophobicContact CZ-CE1 4.41Å; F92-W316 HydrophobicContact CD1-CH2 4.42Å; F92-W316 WeakPolarHBondContact O-CH2 3.3Å; F92-W316 VanDerWaalsContact O-CZ3 3.31Å; F92-W316 WeakPolarHBondContact O-CZ3 3.4Å; F92-L322 HydrophobicContact CD1-CD2 4.14Å
93	G	96	Very high	92.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.			trans	81	178.6	-179.3	0	0	0	0	0	114.5	G90 W96	G90-G93 PolarHBondContact O-N 3.2Å; G93-W96 PolarHBondContact O-N 3.38Å
94	P	95.7	Very high	93	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	140.8	-168.5	25.8	-34.6	0	0	0	112.3	V89 W96 T281 Y283 E321 R343	V89-P94 HydrophobicContact CG1-CB 4.46Å; V89-P94 HydrophobicContact CG2-CB 4.27Å; P94-W96 PolarHBondContact O-N 3.23Å; P94-T281 HydrophobicContact CB-CG2 4.22Å; P94-Y283 HydrophobicContact CB-CD2 3.78Å; P94-Y283 HydrophobicContact CB-CG 4.28Å; P94-E321 HydrophobicContact CG-CG 4.23Å; P94-R343 HydrophobicContact CG-CG 4.28Å
95	G	94.5	Very high	93.4	Very high	3 Å²	3	15 Å²	15	3%	0.031	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-16.9	-176.2	0	0	0	0	0	115.3	Y78 S79	Y78-G95 WeakPolarHBondContact CD2-O 3.41Å; S79-G95 PolarHBondContact N-O 2.84Å
96	W	95.9	Very high	93.6	Very high	1 Å²	1	16 Å²	16	0%	0.004	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	151.8	175.5	-64.6	97	0	0	0	112.2	L58 R76 T77 Y78 F92 G93 P94 L322 F336 Y338 M346	L58-W96 HydrophobicContact CD1-CH2 3.51Å; L58-W96 HydrophobicContact CD1-CZ2 4.39Å; L58-W96 HydrophobicContact CD1-CZ3 4.17Å; R76-W96 HydrophobicContact CB-CE3 4.16Å; R76-W96 HydrophobicContact CG-CE3 4.23Å; R76-W96 HydrophobicContact CG-CZ3 4.22Å; T77-W96 CarbonylContact O-C 3.51Å; T77-W96 WeakPolarHBondContact O-CA 3.24Å; Y78-W96 AromaticContact CD2-CD2 3.85Å; Y78-W96 HydrophobicContact CD2-CD2 3.85Å; Y78-W96 AromaticContact CD2-CE2 3.7Å; Y78-W96 HydrophobicContact CD2-CE3 4.35Å; Y78-W96 HydrophobicContact CD2-CG 4.16Å; Y78-W96 HydrophobicContact CD2-CZ2 4.09Å; Y78-W96 AromaticContact CD2-NE1 3.89Å; Y78-W96 HydrophobicContact CG-CD2 4.42Å; Y78-W96 HydrophobicContact CG-CE3 4.49Å; Y78-W96 HydrophobicContact CG-CH2 4.4Å; Y78-W96 HydrophobicContact CG-CZ2 4.36Å; Y78-W96 HydrophobicContact CG-CZ3 4.48Å; F92-W96 HydrophobicContact CB-CB 3.53Å; F92-W96 HydrophobicContact CB-CG 4.24Å; G93-W96 PolarHBondContact O-N 3.38Å; P94-W96 PolarHBondContact O-N 3.23Å; W96-L322 HydrophobicContact CD2-CD2 4.39Å; W96-L322 HydrophobicContact CZ2-CD2 4.47Å; W96-F336 HydrophobicContact CH2-CD1 4.14Å; W96-F336 AromaticContact CH2-CE1 3.59Å; W96-F336 HydrophobicContact CH2-CE1 3.59Å; W96-F336 HydrophobicContact CH2-CE2 4.31Å; W96-F336 AromaticContact CH2-CZ 3.71Å; W96-F336 HydrophobicContact CH2-CZ 3.71Å; W96-F336 AromaticContact CZ2-CD1 3.77Å; W96-F336 HydrophobicContact CZ2-CD1 3.77Å; W96-F336 HydrophobicContact CZ2-CD2 4.19Å; W96-F336 AromaticContact CZ2-CE1 3.68Å; W96-F336 HydrophobicContact CZ2-CE1 3.68Å; W96-F336 HydrophobicContact CZ2-CE2 4.1Å; W96-F336 HydrophobicContact CZ2-CG 4.05Å; W96-F336 AromaticContact CZ2-CZ 3.88Å; W96-F336 HydrophobicContact CZ2-CZ 3.88Å; W96-Y338 AromaticContact NE1-CZ 3.94Å; W96-Y338 PolarHBondContact NE1-OH 3.02Å; W96-M346 HydrophobicContact CH2-CE 3.84Å; W96-M346 HydrophobicContact CZ2-CE 3.31Å
97	K	93.6	Very high	93.6	Very high	23 Å²	23	18.6 Å²	18.6	10%	0.1	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	138.2	175.7	-63.9	-70.6	165.2	-90.2	0	110.3	R76 T77 D101 N116	R76-K97 CarbonylContact C-O 3.43Å; R76-K97 WeakPolarHBondContact CA-O 3.34Å; T77-K97 PolarHBondContact N-O 3.03Å; T77-K97 PolarHBondContact O-N 3.49Å; K97-D101 WeakPolarHBondContact CA-OD2 2.99Å; K97-D101 HydrophobicContact CD-CB 4.41Å; K97-N116 WeakPolarHBondContact CB-O 3.4Å
98	A	93	Very high	93.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.			trans	-106.4	159.1	166.9	0	0	0	0	0	110.6	F92 S100 D101	F92-A98 HydrophobicContact CD2-CB 3.91Å; F92-A98 HydrophobicContact CE2-CB 3.83Å; A98-S100 PolarHBondContact O-N 3Å; A98-S100 VanDerWaalsContact O-N 3.12Å; A98-D101 PolarHBondContact N-OD2 2.88Å; A98-D101 WeakPolarHBondContact O-CB 3.49Å; A98-D101 PolarHBondContact O-N 2.83Å
99	P	90.5	Very high	93.3	Very high	44 Å²	44	29.7 Å²	29.7	29%	0.286	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-52.5	-30.7	170.1	-27.7	35.6	0	0	0	113.9	S75 D101 I102 L209	S75-P99 WeakPolarHBondContact O-CD 3.42Å; S75-P99 WeakPolarHBondContact OG-CG 3.43Å; P99-D101 PolarHBondContact O-N 3.16Å; P99-I102 WeakPolarHBondContact O-CD1 3.3Å; P99-I102 WeakPolarHBondContact O-CG1 2.99Å; P99-L209 WeakPolarHBondContact O-CD2 3.28Å
100	S	91.7	Very high	93.2	Very high	8 Å²	8	32.2 Å²	32.2	6%	0.056	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-72.9	-9.8	176.6	56.8	0	0	0	0	115.1	A98 I102	A98-S100 PolarHBondContact O-N 3Å; A98-S100 VanDerWaalsContact O-N 3.12Å; S100-I102 VanDerWaalsContact C-N 3.29Å
101	D	91.7	Very high	93.3	Very high	27 Å²	27	31.8 Å²	31.8	14%	0.144	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-87.3	3.3	179.7	-62.5	-26.3	0	0	0	112.7	K97 A98 P99 H103	K97-D101 WeakPolarHBondContact CA-OD2 2.99Å; K97-D101 HydrophobicContact CD-CB 4.41Å; A98-D101 PolarHBondContact N-OD2 2.88Å; A98-D101 WeakPolarHBondContact O-CB 3.49Å; A98-D101 PolarHBondContact O-N 2.83Å; P99-D101 PolarHBondContact O-N 3.16Å; D101-H103 PolarHBondContact O-N 2.95Å
102	I	93	Very high	93.3	Very high	14 Å²	14	31.5 Å²	31.5	7%	0.072	16%	0.16	C	C	.	.			trans	-57	127	174.1	-64.8	170.1	0	0	0	108.6	P99 S100 L113 N114 N116 L186 L209	P99-I102 WeakPolarHBondContact O-CD1 3.3Å; P99-I102 WeakPolarHBondContact O-CG1 2.99Å; S100-I102 VanDerWaalsContact C-N 3.29Å; I102-L113 HydrophobicContact CG2-CD1 3.86Å; I102-N114 WeakPolarHBondContact CA-O 3.44Å; I102-N116 HydrophobicContact CG1-CB 4.35Å; I102-L186 HydrophobicContact CG2-CD2 3.81Å; I102-L209 HydrophobicContact CB-CB 4.42Å; I102-L209 PolarHBondContact O-N 2.89Å; I102-L209 VanDerWaalsContact O-N 3.11Å
103	H	93.3	Very high	93.2	Very high	21 Å²	21	31.9 Å²	31.9	10%	0.097	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.7	-168.8	-170.8	113.3	0	0	0	109.5	A87 D101 L113 N114 Y206 R207	A87-H103 HydrophobicContact CB-CB 3.98Å; D101-H103 PolarHBondContact O-N 2.95Å; H103-L113 CarbonylContact O-C 3.53Å; H103-N114 HydrophobicContact CB-CB 4.3Å; H103-N114 PolarHBondContact N-O 3.23Å; H103-N114 PolarHBondContact O-N 3.03Å; H103-Y206 AromaticContact CE1-CD2 3.79Å; H103-Y206 AromaticContact CE1-CG 3.88Å; H103-Y206 WeakPolarHBondContact NE2-CB 3.45Å; H103-Y206 AromaticContact NE2-CG 3.84Å; H103-R207 CarbonylContact C-O 3.58Å; H103-R207 WeakPolarHBondContact CA-O 3.47Å
104	L	95.4	Very high	93.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120.4	175.3	-177	70.7	0	0	0	109.2	L106 L111 I112 L113 L141 Y173 L186 Y206 R207	L104-L106 HydrophobicContact CD2-CD1 4.08Å; L104-L106 HydrophobicContact CG-CD1 4.06Å; L104-L111 HydrophobicContact CD1-CB 4.18Å; L104-I112 CarbonylContact C-O 3.56Å; L104-I112 WeakPolarHBondContact CA-O 3.49Å; L104-L113 HydrophobicContact CB-CD1 4.28Å; L104-L113 HydrophobicContact CD1-CB 4.09Å; L104-L113 HydrophobicContact CD1-CD1 4.09Å; L104-L141 HydrophobicContact CD1-CD2 3.97Å; L104-Y173 HydrophobicContact CD2-CD1 3.77Å; L104-Y173 HydrophobicContact CD2-CD2 3.7Å; L104-Y173 HydrophobicContact CD2-CE1 4.32Å; L104-Y173 HydrophobicContact CD2-CE2 4.27Å; L104-Y173 HydrophobicContact CD2-CG 3.41Å; L104-Y173 VanDerWaalsContact CD2-CG 3.41Å; L104-L186 HydrophobicContact CB-CD1 4.21Å; L104-L186 HydrophobicContact CD2-CD1 4.49Å; L104-Y206 CarbonylContact O-C 3.49Å; L104-Y206 WeakPolarHBondContact O-CA 3.28Å; L104-Y206 WeakPolarHBondContact O-CB 3.39Å; L104-R207 HydrophobicContact CB-CB 4.11Å; L104-R207 HydrophobicContact CD2-CG 4.43Å; L104-R207 PolarHBondContact N-O 3.48Å; L104-R207 PolarHBondContact O-N 2.9Å
105	Q	94.2	Very high	92.8	Very high	27 Å²	27	33 Å²	33	13%	0.126	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.5	173.1	-51.6	177.2	31.5	0	0	109.2	T85 L111 I112 N114	T85-Q105 PolarHBondContact O-NE2 2.93Å; Q105-L111 WeakPolarHBondContact O-CA 3.12Å; Q105-I112 HydrophobicContact CB-CB 4.19Å; Q105-I112 PolarHBondContact N-O 3.34Å; Q105-I112 PolarHBondContact O-N 2.83Å; Q105-N114 PolarHBondContact NE2-OD1 2.97Å
106	L	93.3	Very high	92.4	Very high	38 Å²	38	36.1 Å²	36.1	20%	0.199	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	104.8	174.4	-74.6	69.3	0	0	0	107.4	L104 L111 Y173 P205 R207	L104-L106 HydrophobicContact CD2-CD1 4.08Å; L104-L106 HydrophobicContact CG-CD1 4.06Å; L106-L111 HydrophobicContact CB-CD2 4.35Å; L106-L111 HydrophobicContact CD1-CD2 4.49Å; L106-L111 HydrophobicContact CG-CD2 3.8Å; L106-Y173 HydrophobicContact CD2-CE2 4.19Å; L106-P205 PolarHBondContact N-O 2.9Å; L106-R207 HydrophobicContact CD1-CG 4Å
107	R	92.6	Very high	91.8	Very high	95 Å²	95	36.6 Å²	36.6	36%	0.358	19%	0.19	S	C	.	.			trans	-101.1	176.5	176.1	-58.8	-171.9	174.7	-165.1	-4.2	109.7	N109 E110 I112 H125	R107-N109 VanDerWaalsContact C-N 3.3Å; R107-N109 PolarHBondContact O-N 2.85Å; R107-E110 HydrophobicContact CB-CG 4.11Å; R107-E110 WeakPolarHBondContact CB-O 3.41Å; R107-E110 PolarHBondContact N-O 3.21Å; R107-I112 VanDerWaalsContact CZ-CD1 3.4Å; R107-I112 VanDerWaalsContact NE-CD1 3.34Å; R107-H125 PolarHBondContact O-CE1 2.88Å; R107-H125 PolarHBondContact O-NE2 3.03Å
108	D	88.7	Confident	91.3	Very high	157 Å²	157	36.3 Å²	36.3	84%	0.84	19%	0.193	S	C	*	.	S	Bend	trans	-68.9	-28	-177.5	-61.7	-31.5	0	0	0	113.6	H125	D108-H125 PolarHBondContact O-NE2 3.13Å
109	N	88.1	Confident	91.1	Very high	147 Å²	147	37.1 Å²	37.1	79%	0.786	20%	0.196	S	C	*	.	S	Bend	trans	-121.2	-7	-172.9	-65.6	-41.3	0	0	0	114.1	R107	R107-N109 VanDerWaalsContact C-N 3.3Å; R107-N109 PolarHBondContact O-N 2.85Å
110	E	92.4	Very high	91.2	Very high	56 Å²	56	35 Å²	35	26%	0.262	18%	0.183	S	C	.	.			trans	-158.6	161.1	-173	63.8	179.1	163.4	0	0	112.6	R107 I112 H122 F123 H125	R107-E110 HydrophobicContact CB-CG 4.11Å; R107-E110 WeakPolarHBondContact CB-O 3.41Å; R107-E110 PolarHBondContact N-O 3.21Å; E110-I112 HydrophobicContact CG-CD1 4.46Å; E110-I112 HydrophobicContact CG-CG1 4.11Å; E110-H122 IonicContact OE1-ND1 3.58Å; E110-H122 IonicContact OE2-CE1 3.15Å; E110-H122 IonicContact OE2-CG 3.63Å; E110-H122 IonicContact OE2-ND1 2.77Å; E110-H122 PolarHBondContact OE2-ND1 3.14Å; E110-F123 WeakPolarHBondContact CA-O 3.23Å; E110-F123 WeakPolarHBondContact CB-O 3.19Å; E110-H125 PolarHBondContact N-NE2 3.13Å; E110-H125 VanDerWaalsContact N-NE2 3.17Å
111	L	94.5	Very high	91.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.1	166.6	-60.5	177.4	0	0	0	108.5	L104 Q105 L106 F123 L126 L141 Y173	L104-L111 HydrophobicContact CD1-CB 4.18Å; Q105-L111 WeakPolarHBondContact O-CA 3.12Å; L106-L111 HydrophobicContact CB-CD2 4.35Å; L106-L111 HydrophobicContact CD1-CD2 4.49Å; L106-L111 HydrophobicContact CG-CD2 3.8Å; L111-F123 HydrophobicContact CB-CB 4.12Å; L111-F123 PolarHBondContact N-O 2.73Å; L111-F123 PolarHBondContact O-N 3.07Å; L111-L126 HydrophobicContact CD1-CD1 4.34Å; L111-L126 HydrophobicContact CD1-CG 4.08Å; L111-L141 HydrophobicContact CD1-CD2 4.13Å; L111-Y173 HydrophobicContact CD1-CD1 4.32Å; L111-Y173 HydrophobicContact CD1-CE1 3.6Å
112	I	94.2	Very high	91.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	112.2	176.6	-53.6	-179.4	0	0	0	109.1	T85 L104 Q105 R107 E110 I121	T85-I112 HydrophobicContact CG2-CD1 3.98Å; L104-I112 CarbonylContact C-O 3.56Å; L104-I112 WeakPolarHBondContact CA-O 3.49Å; Q105-I112 HydrophobicContact CB-CB 4.19Å; Q105-I112 PolarHBondContact N-O 3.34Å; Q105-I112 PolarHBondContact O-N 2.83Å; R107-I112 VanDerWaalsContact CZ-CD1 3.4Å; R107-I112 VanDerWaalsContact NE-CD1 3.34Å; E110-I112 HydrophobicContact CG-CD1 4.46Å; E110-I112 HydrophobicContact CG-CG1 4.11Å; I112-I121 CarbonylContact C-O 3.57Å; I112-I121 WeakPolarHBondContact CA-O 3.36Å
113	L	94.6	Very high	91	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.042	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.2	171.4	-172.5	74.2	0	0	0	109.5	I102 H103 L104 I121 F123 F139 L186	I102-L113 HydrophobicContact CG2-CD1 3.86Å; H103-L113 CarbonylContact O-C 3.53Å; L104-L113 HydrophobicContact CB-CD1 4.28Å; L104-L113 HydrophobicContact CD1-CB 4.09Å; L104-L113 HydrophobicContact CD1-CD1 4.09Å; L113-I121 HydrophobicContact CB-CB 4.44Å; L113-I121 PolarHBondContact N-O 2.96Å; L113-I121 PolarHBondContact O-N 2.79Å; L113-F123 HydrophobicContact CB-CE2 4.28Å; L113-F139 HydrophobicContact CD2-CD2 4.47Å; L113-F139 HydrophobicContact CD2-CE2 3.38Å; L113-F139 HydrophobicContact CD2-CZ 3.51Å; L113-L186 HydrophobicContact CD1-CD1 3.63Å
114	N	93.8	Very high	90.9	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.2	168	-62.3	111.8	0	0	0	109.7	T85 A87 I102 H103 Q105 R119 S120	T85-N114 PolarHBondContact O-ND2 2.76Å; A87-N114 HydrophobicContact CB-CB 3.83Å; I102-N114 WeakPolarHBondContact CA-O 3.44Å; H103-N114 HydrophobicContact CB-CB 4.3Å; H103-N114 PolarHBondContact N-O 3.23Å; H103-N114 PolarHBondContact O-N 3.03Å; Q105-N114 PolarHBondContact NE2-OD1 2.97Å; N114-R119 VanDerWaalsContact CA-O 3.22Å; N114-R119 WeakPolarHBondContact CA-O 3.39Å; N114-S120 PolarHBondContact ND2-OG 2.89Å; N114-S120 VanDerWaalsContact ND2-OG 3.12Å
115	D	90.7	Very high	90.7	Very high	20 Å²	20	43.4 Å²	43.4	11%	0.107	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-83.6	172.2	179.5	75.2	7.7	0	0	0	112.3	G117 G118 R119 I121	D115-G117 PolarHBondContact O-N 2.73Å; D115-G117 VanDerWaalsContact OD1-CA 3.29Å; D115-G117 WeakPolarHBondContact OD1-CA 3.39Å; D115-G117 PolarHBondContact OD1-N 2.65Å; D115-G118 PolarHBondContact O-N 2.87Å; D115-G118 PolarHBondContact OD1-N 2.82Å; D115-R119 PolarHBondContact N-O 2.9Å; D115-R119 VanDerWaalsContact N-O 3.11Å; D115-R119 WeakPolarHBondContact OD1-CB 3.31Å; D115-R119 PolarHBondContact OD1-N 3.41Å; D115-R119 IonicContact OD2-CZ 3.04Å; D115-R119 IonicContact OD2-NE 3.87Å; D115-R119 PolarHBondContact OD2-NE 2.74Å; D115-R119 IonicContact OD2-NH2 3.17Å; D115-R119 PolarHBondContact OD2-NH2 2.85Å; D115-I121 HydrophobicContact CB-CD1 4.17Å
116	N	85.5	Confident	90.6	Very high	68 Å²	68	42.5 Å²	42.5	36%	0.364	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-3.1	177.5	67.5	-17.8	0	0	0	113.9	K97 I102	K97-N116 WeakPolarHBondContact CB-O 3.4Å; I102-N116 HydrophobicContact CG1-CB 4.35Å
117	G	83.6	Confident	90.6	Very high	12 Å²	12	48.1 Å²	48.1	12%	0.124	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-3.7	170.1	0	0	0	0	0	113.2	D115	D115-G117 PolarHBondContact O-N 2.73Å; D115-G117 VanDerWaalsContact OD1-CA 3.29Å; D115-G117 WeakPolarHBondContact OD1-CA 3.39Å; D115-G117 PolarHBondContact OD1-N 2.65Å
118	G	83	Confident	90.5	Very high	17 Å²	17	46.5 Å²	46.5	18%	0.175	24%	0.24	C	C	.	.	S	Bend	trans	80	15.3	-177.1	0	0	0	0	0	114.1	T83 D115	T83-G118 VanDerWaalsContact CG2-O 3.27Å; T83-G118 WeakPolarHBondContact CG2-O 3.38Å; D115-G118 PolarHBondContact O-N 2.87Å; D115-G118 PolarHBondContact OD1-N 2.82Å
119	R	89.1	Confident	90.4	Very high	16 Å²	16	39.9 Å²	39.9	6%	0.06	21%	0.209	C	C	.	.			trans	-83.3	162.3	172.2	-58.6	-171.6	-68	162.6	3.1	110.7	S37 V38 C39 P40 N114 D115 E137	S37-R119 VanDerWaalsContact O-CD 3.3Å; S37-R119 WeakPolarHBondContact O-CD 3.38Å; S37-R119 PolarHBondContact O-NH1 3.01Å; V38-R119 WeakPolarHBondContact O-CD 3.47Å; C39-R119 PolarHBondContact SG-NH1 2.77Å; P40-R119 HydrophobicContact CG-CG 4.37Å; N114-R119 VanDerWaalsContact CA-O 3.22Å; N114-R119 WeakPolarHBondContact CA-O 3.39Å; D115-R119 PolarHBondContact N-O 2.9Å; D115-R119 VanDerWaalsContact N-O 3.11Å; D115-R119 WeakPolarHBondContact OD1-CB 3.31Å; D115-R119 PolarHBondContact OD1-N 3.41Å; D115-R119 IonicContact OD2-CZ 3.04Å; D115-R119 IonicContact OD2-NE 3.87Å; D115-R119 PolarHBondContact OD2-NE 2.74Å; D115-R119 IonicContact OD2-NH2 3.17Å; D115-R119 PolarHBondContact OD2-NH2 2.85Å; R119-E137 IonicContact CZ-OE2 2.95Å; R119-E137 IonicContact NH1-OE1 2.81Å; R119-E137 PolarHBondContact NH1-OE1 2.76Å; R119-E137 IonicContact NH1-OE2 3.72Å; R119-E137 PolarHBondContact NH1-OE2 2.86Å; R119-E137 IonicContact NH2-OE2 3.18Å; R119-E137 PolarHBondContact NH2-OE2 2.83Å
120	S	91.4	Very high	90.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.5	173.6	-54.5	0	0	0	0	109.3	A35 C36 T83 T85 N114	A35-S120 CarbonylContact C-O 3.57Å; A35-S120 WeakPolarHBondContact CA-O 3.43Å; C36-S120 PolarHBondContact N-O 3.23Å; C36-S120 PolarHBondContact SG-N 3.47Å; T83-S120 PolarHBondContact OG1-OG 3.26Å; T85-S120 PolarHBondContact O-OG 3.12Å; T85-S120 WeakPolarHBondContact OG1-CB 3.18Å; T85-S120 PolarHBondContact OG1-OG 2.82Å; N114-S120 PolarHBondContact ND2-OG 2.89Å; N114-S120 VanDerWaalsContact ND2-OG 3.12Å
121	I	91.3	Very high	90.5	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.015	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.3	-175.8	-52.3	166.6	0	0	0	107.7	G33 A35 I112 L113 D115 F123 E137 F139	G33-I121 WeakPolarHBondContact O-CG2 3.31Å; A35-I121 HydrophobicContact CB-CG1 4.11Å; I112-I121 CarbonylContact C-O 3.57Å; I112-I121 WeakPolarHBondContact CA-O 3.36Å; L113-I121 HydrophobicContact CB-CB 4.44Å; L113-I121 PolarHBondContact N-O 2.96Å; L113-I121 PolarHBondContact O-N 2.79Å; D115-I121 HydrophobicContact CB-CD1 4.17Å; I121-F123 HydrophobicContact CB-CE2 4.09Å; I121-F123 HydrophobicContact CG2-CD2 4.31Å; I121-F123 HydrophobicContact CG2-CE2 3.48Å; I121-F123 VanDerWaalsContact CG2-CE2 3.48Å; I121-F123 HydrophobicContact CG2-CZ 3.93Å; I121-E137 HydrophobicContact CD1-CG 4.42Å; I121-F139 HydrophobicContact CB-CZ 4.47Å; I121-F139 HydrophobicContact CD1-CE1 3.71Å; I121-F139 HydrophobicContact CD1-CZ 3.88Å; I121-F139 HydrophobicContact CG2-CE1 4.02Å; I121-F139 HydrophobicContact CG2-CZ 4.01Å
122	H	90.6	Very high	90.3	Very high	55 Å²	55	35 Å²	35	26%	0.255	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.9	-166.1	-67.9	-108.2	0	0	0	111.8	G33 V34 E110	G33-H122 VanDerWaalsContact CA-O 3.22Å; G33-H122 WeakPolarHBondContact CA-O 3.4Å; G33-H122 PolarHBondContact N-O 2.96Å; V34-H122 PolarHBondContact O-N 2.72Å; E110-H122 IonicContact OE1-ND1 3.58Å; E110-H122 IonicContact OE2-CE1 3.15Å; E110-H122 IonicContact OE2-CG 3.63Å; E110-H122 IonicContact OE2-ND1 2.77Å; E110-H122 PolarHBondContact OE2-ND1 3.14Å
123	F	91.5	Very high	90	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.026	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	154.2	179.5	-67.4	-93.2	0	0	0	111.1	E110 L111 L113 I121 F139 L141	E110-F123 WeakPolarHBondContact CA-O 3.23Å; E110-F123 WeakPolarHBondContact CB-O 3.19Å; L111-F123 HydrophobicContact CB-CB 4.12Å; L111-F123 PolarHBondContact N-O 2.73Å; L111-F123 PolarHBondContact O-N 3.07Å; L113-F123 HydrophobicContact CB-CE2 4.28Å; I121-F123 HydrophobicContact CB-CE2 4.09Å; I121-F123 HydrophobicContact CG2-CD2 4.31Å; I121-F123 HydrophobicContact CG2-CE2 3.48Å; I121-F123 VanDerWaalsContact CG2-CE2 3.48Å; I121-F123 HydrophobicContact CG2-CZ 3.93Å; F123-F139 HydrophobicContact CE2-CE1 4.46Å; F123-F139 HydrophobicContact CE2-CE2 4.07Å; F123-F139 AromaticContact CE2-CZ 3.56Å; F123-F139 HydrophobicContact CE2-CZ 3.56Å; F123-F139 AromaticContact CZ-CE1 3.99Å; F123-F139 HydrophobicContact CZ-CE1 3.99Å; F123-F139 AromaticContact CZ-CE2 3.69Å; F123-F139 HydrophobicContact CZ-CE2 3.69Å; F123-F139 AromaticContact CZ-CZ 3.31Å; F123-F139 HydrophobicContact CZ-CZ 3.31Å; F123-L141 HydrophobicContact CB-CD2 4.29Å; F123-L141 HydrophobicContact CD1-CB 4.4Å; F123-L141 HydrophobicContact CD2-CD2 3.98Å; F123-L141 HydrophobicContact CE1-CB 4.22Å; F123-L141 HydrophobicContact CE2-CD2 4.45Å; F123-L141 HydrophobicContact CG-CD2 4.03Å; F123-L141 HydrophobicContact CZ-CB 4.3Å
124	E	90.2	Very high	89.7	Confident	106 Å²	106	36.2 Å²	36.2	50%	0.495	19%	0.19	S	C	.	.			trans	-69.5	162.5	164.8	-69.8	179.4	178.5	0	0	110.5	T32	T32-E124 HydrophobicContact CG2-CB 4.4Å; T32-E124 HydrophobicContact CG2-CG 3.73Å
125	H	90.9	Very high	89	Confident	76 Å²	76	39.8 Å²	39.8	35%	0.352	20%	0.203	S	C	.	.			trans	-62.8	141	171.2	-78.4	-74	0	0	0	111.5	R107 D108 E110	R107-H125 PolarHBondContact O-CE1 2.88Å; R107-H125 PolarHBondContact O-NE2 3.03Å; D108-H125 PolarHBondContact O-NE2 3.13Å; E110-H125 PolarHBondContact N-NE2 3.13Å; E110-H125 VanDerWaalsContact N-NE2 3.17Å
126	L	92.9	Very high	88.4	Confident	9 Å²	9	39.8 Å²	39.8	5%	0.047	21%	0.205	C	C	.	.			trans	-106.2	132.4	178.2	-58.2	175.8	0	0	0	110	L111 E130 L141 R143 Y173	L111-L126 HydrophobicContact CD1-CD1 4.34Å; L111-L126 HydrophobicContact CD1-CG 4.08Å; L126-E130 HydrophobicContact CB-CB 4.29Å; L126-E130 HydrophobicContact CD2-CB 4.43Å; L126-E130 HydrophobicContact CD2-CG 4.06Å; L126-L141 HydrophobicContact CD1-CB 4.42Å; L126-L141 HydrophobicContact CD1-CD2 4.22Å; L126-L141 HydrophobicContact CD1-CG 4.01Å; L126-L141 WeakPolarHBondContact CD1-O 3.41Å; L126-R143 HydrophobicContact CB-CB 3.88Å; L126-R143 HydrophobicContact CD1-CB 4.47Å; L126-R143 WeakPolarHBondContact O-CD 3.3Å; L126-R143 PolarHBondContact O-NH1 2.93Å; L126-Y173 HydrophobicContact CB-CE1 4.44Å; L126-Y173 HydrophobicContact CD1-CD1 4.46Å; L126-Y173 HydrophobicContact CD1-CE1 4.4Å
127	F	92.1	Very high	88.4	Confident	156 Å²	156	38.3 Å²	38.3	68%	0.684	20%	0.195	S	C	*	.			trans	-71.3	158.6	163.5	-67.1	-75.9	0	0	0	110.5	G129 E130	F127-G129 PolarHBondContact O-N 2.5Å; F127-E130 HydrophobicContact CB-CB 4.39Å; F127-E130 VanDerWaalsContact CD2-OE2 3.32Å; F127-E130 WeakPolarHBondContact CD2-OE2 3.24Å; F127-E130 PolarHBondContact N-OE2 3Å; F127-E130 WeakPolarHBondContact O-CB 3.46Å; F127-E130 PolarHBondContact O-N 3.1Å
128	P	91	Very high	88.4	Confident	60 Å²	60	40.9 Å²	40.9	39%	0.39	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	127.3	174.6	-29	37.2	0	0	0	112.5	E130 G144 P170	P128-E130 VanDerWaalsContact C-N 3.3Å; P128-E130 PolarHBondContact O-N 2.89Å; P128-G144 VanDerWaalsContact CA-O 3.25Å; P128-G144 WeakPolarHBondContact CA-O 3.42Å; P128-G144 WeakPolarHBondContact CB-O 3.49Å; P128-P170 HydrophobicContact CB-CB 4.37Å; P128-P170 HydrophobicContact CG-CB 4.06Å
129	G	88	Confident	88.7	Confident	18 Å²	18	40.7 Å²	40.7	19%	0.186	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-2.2	-175.9	0	0	0	0	0	116.1	F127 R143 G144 V146	F127-G129 PolarHBondContact O-N 2.5Å; G129-R143 VanDerWaalsContact CA-O 3.3Å; G129-R143 WeakPolarHBondContact CA-O 3.24Å; G129-R143 PolarHBondContact N-O 2.87Å; G129-G144 PolarHBondContact N-O 3.37Å; G129-V146 VanDerWaalsContact CA-CG2 3.47Å
130	E	92.5	Very high	88.9	Confident	61 Å²	61	40.8 Å²	40.8	29%	0.285	20%	0.201	S	C	.	.			trans	-84.5	146.5	176	-169.1	177.2	-162.8	0	0	111.7	L126 F127 P128 V142 R143	L126-E130 HydrophobicContact CB-CB 4.29Å; L126-E130 HydrophobicContact CD2-CB 4.43Å; L126-E130 HydrophobicContact CD2-CG 4.06Å; F127-E130 HydrophobicContact CB-CB 4.39Å; F127-E130 VanDerWaalsContact CD2-OE2 3.32Å; F127-E130 WeakPolarHBondContact CD2-OE2 3.24Å; F127-E130 PolarHBondContact N-OE2 3Å; F127-E130 WeakPolarHBondContact O-CB 3.46Å; F127-E130 PolarHBondContact O-N 3.1Å; P128-E130 VanDerWaalsContact C-N 3.3Å; P128-E130 PolarHBondContact O-N 2.89Å; E130-V142 WeakPolarHBondContact O-CA 3.49Å; E130-R143 PolarHBondContact O-N 2.8Å
131	D	90	Very high	89	Confident	31 Å²	31	40.8 Å²	40.8	17%	0.166	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	148.5	173.2	75.2	-59.7	0	0	0	113	L141 V142 H153	D131-L141 CarbonylContact C-O 3.52Å; D131-L141 VanDerWaalsContact CA-O 3.31Å; D131-L141 WeakPolarHBondContact CA-O 3.23Å; D131-V142 HydrophobicContact CB-CB 4.45Å; D131-V142 HydrophobicContact CB-CG1 4.3Å; D131-V142 HydrophobicContact CB-CG2 3.82Å; D131-H153 IonicContact OD1-NE2 3.91Å; D131-H153 PolarHBondContact OD1-NE2 2.85Å; D131-H153 IonicContact OD2-NE2 3.87Å
132	G	89.3	Confident	89.2	Confident	8 Å²	8	40.7 Å²	40.7	8%	0.082	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.5	165.4	0	0	0	0	0	109.6	W140 L141	G132-W140 WeakPolarHBondContact O-CA 3.38Å; G132-L141 PolarHBondContact N-O 2.84Å; G132-L141 PolarHBondContact O-N 2.91Å
133	F	87.8	Confident	89.4	Confident	34 Å²	34	40.7 Å²	40.7	15%	0.149	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	121	177.9	-178.4	-113.5	0	0	0	111.4	R135 L138 F139 W140	F133-R135 HydrophobicContact CD1-CG 3.79Å; F133-R135 HydrophobicContact CE1-CG 3.97Å; F133-R135 PolarHBondContact O-N 3.48Å; F133-L138 HydrophobicContact CZ-CD2 4.1Å; F133-F139 VanDerWaalsContact CD2-O 3.23Å; F133-F139 WeakPolarHBondContact CD2-O 3.46Å; F133-W140 AromaticContact CD2-CD1 3.66Å; F133-W140 AromaticContact CD2-CD2 3.58Å; F133-W140 HydrophobicContact CD2-CD2 3.58Å; F133-W140 AromaticContact CD2-CE2 3.37Å; F133-W140 HydrophobicContact CD2-CE3 4.23Å; F133-W140 AromaticContact CD2-CG 3.76Å; F133-W140 HydrophobicContact CD2-CG 3.76Å; F133-W140 HydrophobicContact CD2-CH2 4.48Å; F133-W140 AromaticContact CD2-CZ2 3.88Å; F133-W140 HydrophobicContact CD2-CZ2 3.88Å; F133-W140 AromaticContact CD2-NE1 3.42Å; F133-W140 AromaticContact CE2-CD2 3.88Å; F133-W140 HydrophobicContact CE2-CD2 3.88Å; F133-W140 AromaticContact CE2-CE2 3.65Å; F133-W140 HydrophobicContact CE2-CE3 4.11Å; F133-W140 AromaticContact CE2-CH2 3.92Å; F133-W140 HydrophobicContact CE2-CH2 3.92Å; F133-W140 AromaticContact CE2-CZ2 3.69Å; F133-W140 HydrophobicContact CE2-CZ2 3.69Å; F133-W140 HydrophobicContact CE2-CZ3 4.12Å; F133-W140 AromaticContact CG-NE1 3.91Å; F133-W140 HydrophobicContact CZ-CZ2 4.43Å
134	S	87.6	Confident	89.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	111	166.6	175.9	0	0	0	0	109.9	G33 S136 E137 L138 F139	G33-S134 VanDerWaalsContact O-CB 3.25Å; G33-S134 WeakPolarHBondContact O-CB 3.45Å; G33-S134 PolarHBondContact O-OG 2.9Å; S134-S136 VanDerWaalsContact C-N 3.35Å; S134-E137 VanDerWaalsContact OG-CB 3.25Å; S134-E137 WeakPolarHBondContact OG-CB 3.13Å; S134-E137 WeakPolarHBondContact OG-CG 3.37Å; S134-E137 PolarHBondContact OG-N 2.85Å; S134-L138 VanDerWaalsContact O-CA 3.22Å; S134-L138 WeakPolarHBondContact O-CA 3.37Å; S134-L138 PolarHBondContact O-N 2.84Å; S134-F139 PolarHBondContact N-O 3.27Å; S134-F139 PolarHBondContact O-N 2.79Å
135	R	81.1	Confident	89.6	Confident	80 Å²	80	36.5 Å²	36.5	30%	0.302	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-26.8	177.1	-78.2	176.7	178.6	144.7	1.3	114.4	F133 L138 M428	F133-R135 HydrophobicContact CD1-CG 3.79Å; F133-R135 HydrophobicContact CE1-CG 3.97Å; F133-R135 PolarHBondContact O-N 3.48Å; R135-L138 WeakPolarHBondContact O-CD2 3.31Å; R135-M428 HydrophobicContact CB-CE 3.54Å; R135-M428 HydrophobicContact CB-CG 4.3Å; R135-M428 HydrophobicContact CG-CE 3.69Å
136	S	77.2	Confident	89.7	Confident	20 Å²	20	34.9 Å²	34.9	14%	0.14	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-36.3	-178.7	48.4	0	0	0	0	111.7	S134	S134-S136 VanDerWaalsContact C-N 3.35Å
137	E	84.5	Confident	89.7	Confident	36 Å²	36	36.6 Å²	36.6	17%	0.168	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-5.6	-178.4	-49.5	-58.5	148.8	0	0	112.9	A35 R119 I121 S134 F139	A35-E137 HydrophobicContact CB-CG 4.27Å; A35-E137 VanDerWaalsContact CB-OE1 3.23Å; A35-E137 WeakPolarHBondContact CB-OE1 3.4Å; R119-E137 IonicContact CZ-OE2 2.95Å; R119-E137 IonicContact NH1-OE1 2.81Å; R119-E137 PolarHBondContact NH1-OE1 2.76Å; R119-E137 IonicContact NH1-OE2 3.72Å; R119-E137 PolarHBondContact NH1-OE2 2.86Å; R119-E137 IonicContact NH2-OE2 3.18Å; R119-E137 PolarHBondContact NH2-OE2 2.83Å; I121-E137 HydrophobicContact CD1-CG 4.42Å; S134-E137 VanDerWaalsContact OG-CB 3.25Å; S134-E137 WeakPolarHBondContact OG-CB 3.13Å; S134-E137 WeakPolarHBondContact OG-CG 3.37Å; S134-E137 PolarHBondContact OG-N 2.85Å; E137-F139 HydrophobicContact CB-CD1 3.64Å; E137-F139 HydrophobicContact CB-CE1 3.73Å; E137-F139 HydrophobicContact CG-CE1 4.37Å
138	L	85.5	Confident	89.8	Confident	66 Å²	66	34.8 Å²	34.8	35%	0.346	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	51.2	176.5	-57.7	177.5	0	0	0	114.3	F133 S134 R135	F133-L138 HydrophobicContact CZ-CD2 4.1Å; S134-L138 VanDerWaalsContact O-CA 3.22Å; S134-L138 WeakPolarHBondContact O-CA 3.37Å; S134-L138 PolarHBondContact O-N 2.84Å; R135-L138 WeakPolarHBondContact O-CD2 3.31Å
139	F	88.7	Confident	89.7	Confident	13 Å²	13	32.4 Å²	32.4	6%	0.057	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158.4	174.8	83.1	-83.1	0	0	0	113	L113 I121 F123 F133 S134 E137 T176 N177	L113-F139 HydrophobicContact CD2-CD2 4.47Å; L113-F139 HydrophobicContact CD2-CE2 3.38Å; L113-F139 HydrophobicContact CD2-CZ 3.51Å; I121-F139 HydrophobicContact CB-CZ 4.47Å; I121-F139 HydrophobicContact CD1-CE1 3.71Å; I121-F139 HydrophobicContact CD1-CZ 3.88Å; I121-F139 HydrophobicContact CG2-CE1 4.02Å; I121-F139 HydrophobicContact CG2-CZ 4.01Å; F123-F139 HydrophobicContact CE2-CE1 4.46Å; F123-F139 HydrophobicContact CE2-CE2 4.07Å; F123-F139 AromaticContact CE2-CZ 3.56Å; F123-F139 HydrophobicContact CE2-CZ 3.56Å; F123-F139 AromaticContact CZ-CE1 3.99Å; F123-F139 HydrophobicContact CZ-CE1 3.99Å; F123-F139 AromaticContact CZ-CE2 3.69Å; F123-F139 HydrophobicContact CZ-CE2 3.69Å; F123-F139 AromaticContact CZ-CZ 3.31Å; F123-F139 HydrophobicContact CZ-CZ 3.31Å; F133-F139 VanDerWaalsContact CD2-O 3.23Å; F133-F139 WeakPolarHBondContact CD2-O 3.46Å; S134-F139 PolarHBondContact N-O 3.27Å; S134-F139 PolarHBondContact O-N 2.79Å; E137-F139 HydrophobicContact CB-CD1 3.64Å; E137-F139 HydrophobicContact CB-CE1 3.73Å; E137-F139 HydrophobicContact CG-CE1 4.37Å; F139-T176 CarbonylContact C-O 3.57Å; F139-T176 WeakPolarHBondContact CA-O 3.5Å; F139-T176 VanDerWaalsContact CB-O 3.29Å; F139-T176 WeakPolarHBondContact CB-O 3.22Å; F139-N177 HydrophobicContact CB-CB 3.89Å
140	W	91.9	Very high	89.6	Confident	19 Å²	19	37 Å²	37	7%	0.072	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	141.1	177.1	-65.5	-92.9	0	0	0	111.1	G132 F133 V142 L155 A175 T176 P179	G132-W140 WeakPolarHBondContact O-CA 3.38Å; F133-W140 AromaticContact CD2-CD1 3.66Å; F133-W140 AromaticContact CD2-CD2 3.58Å; F133-W140 HydrophobicContact CD2-CD2 3.58Å; F133-W140 AromaticContact CD2-CE2 3.37Å; F133-W140 HydrophobicContact CD2-CE3 4.23Å; F133-W140 AromaticContact CD2-CG 3.76Å; F133-W140 HydrophobicContact CD2-CG 3.76Å; F133-W140 HydrophobicContact CD2-CH2 4.48Å; F133-W140 AromaticContact CD2-CZ2 3.88Å; F133-W140 HydrophobicContact CD2-CZ2 3.88Å; F133-W140 AromaticContact CD2-NE1 3.42Å; F133-W140 AromaticContact CE2-CD2 3.88Å; F133-W140 HydrophobicContact CE2-CD2 3.88Å; F133-W140 AromaticContact CE2-CE2 3.65Å; F133-W140 HydrophobicContact CE2-CE3 4.11Å; F133-W140 AromaticContact CE2-CH2 3.92Å; F133-W140 HydrophobicContact CE2-CH2 3.92Å; F133-W140 AromaticContact CE2-CZ2 3.69Å; F133-W140 HydrophobicContact CE2-CZ2 3.69Å; F133-W140 HydrophobicContact CE2-CZ3 4.12Å; F133-W140 AromaticContact CG-NE1 3.91Å; F133-W140 HydrophobicContact CZ-CZ2 4.43Å; W140-V142 HydrophobicContact CB-CG2 4.22Å; W140-L155 HydrophobicContact CB-CD1 3.8Å; W140-L155 HydrophobicContact CD2-CD1 4.07Å; W140-L155 HydrophobicContact CD2-CD2 4.02Å; W140-L155 HydrophobicContact CD2-CG 4.44Å; W140-L155 HydrophobicContact CE3-CD2 4.09Å; W140-L155 HydrophobicContact CG-CD1 3.61Å; W140-L155 HydrophobicContact CG-CD2 4.45Å; W140-L155 HydrophobicContact CG-CG 4.44Å; W140-L155 HydrophobicContact CZ3-CD2 4.47Å; W140-A175 CarbonylContact O-C 3.59Å; W140-A175 WeakPolarHBondContact O-CA 3.32Å; W140-T176 HydrophobicContact CB-CG2 4.25Å; W140-T176 HydrophobicContact CE3-CG2 4.1Å; W140-T176 PolarHBondContact N-O 3.07Å; W140-T176 PolarHBondContact O-N 3.07Å; W140-P179 HydrophobicContact CH2-CG 3.73Å; W140-P179 HydrophobicContact CZ2-CG 4.48Å; W140-P179 HydrophobicContact CZ3-CG 4.07Å
141	L	95.1	Very high	89.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.2	159.2	-177.3	68.1	0	0	0	107.5	L104 L111 F123 L126 D131 G132 Y173 L174 A175 L186	L104-L141 HydrophobicContact CD1-CD2 3.97Å; L111-L141 HydrophobicContact CD1-CD2 4.13Å; F123-L141 HydrophobicContact CB-CD2 4.29Å; F123-L141 HydrophobicContact CD1-CB 4.4Å; F123-L141 HydrophobicContact CD2-CD2 3.98Å; F123-L141 HydrophobicContact CE1-CB 4.22Å; F123-L141 HydrophobicContact CE2-CD2 4.45Å; F123-L141 HydrophobicContact CG-CD2 4.03Å; F123-L141 HydrophobicContact CZ-CB 4.3Å; L126-L141 HydrophobicContact CD1-CB 4.42Å; L126-L141 HydrophobicContact CD1-CD2 4.22Å; L126-L141 HydrophobicContact CD1-CG 4.01Å; L126-L141 WeakPolarHBondContact CD1-O 3.41Å; D131-L141 CarbonylContact C-O 3.52Å; D131-L141 VanDerWaalsContact CA-O 3.31Å; D131-L141 WeakPolarHBondContact CA-O 3.23Å; G132-L141 PolarHBondContact N-O 2.84Å; G132-L141 PolarHBondContact O-N 2.91Å; L141-Y173 HydrophobicContact CG-CD1 4.48Å; L141-L174 CarbonylContact C-O 3.59Å; L141-L174 WeakPolarHBondContact CA-O 3.14Å; L141-A175 HydrophobicContact CD1-CB 4.19Å; L141-L186 HydrophobicContact CD1-CD1 4.12Å
142	V	95.1	Very high	89	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.5	-176.5	-167.1	0	0	0	0	108.8	E130 D131 W140 L155 W159 Y173 L174 W183	E130-V142 WeakPolarHBondContact O-CA 3.49Å; D131-V142 HydrophobicContact CB-CB 4.45Å; D131-V142 HydrophobicContact CB-CG1 4.3Å; D131-V142 HydrophobicContact CB-CG2 3.82Å; W140-V142 HydrophobicContact CB-CG2 4.22Å; V142-L155 HydrophobicContact CG2-CD1 3.77Å; V142-W159 HydrophobicContact CB-CZ3 4.07Å; V142-W159 HydrophobicContact CG1-CE3 4.38Å; V142-W159 HydrophobicContact CG1-CH2 3.9Å; V142-W159 HydrophobicContact CG1-CZ3 3.48Å; V142-W159 VanDerWaalsContact CG1-CZ3 3.48Å; V142-Y173 CarbonylContact O-C 3.37Å; V142-Y173 WeakPolarHBondContact O-CA 3.43Å; V142-L174 HydrophobicContact CB-CB 4.47Å; V142-L174 PolarHBondContact N-O 2.96Å; V142-L174 PolarHBondContact O-N 2.79Å; V142-W183 HydrophobicContact CB-CH2 4.43Å; V142-W183 HydrophobicContact CB-CZ3 4.5Å; V142-W183 HydrophobicContact CG2-CH2 3.8Å; V142-W183 HydrophobicContact CG2-CZ3 3.96Å
143	R	94.7	Very high	88.8	Confident	55 Å²	55	46.4 Å²	46.4	21%	0.208	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	134.8	172.5	-170.1	177.3	178.3	179.2	-0.2	110.5	L126 G129 E130 P170 Y173	L126-R143 HydrophobicContact CB-CB 3.88Å; L126-R143 HydrophobicContact CD1-CB 4.47Å; L126-R143 WeakPolarHBondContact O-CD 3.3Å; L126-R143 PolarHBondContact O-NH1 2.93Å; G129-R143 VanDerWaalsContact CA-O 3.3Å; G129-R143 WeakPolarHBondContact CA-O 3.24Å; G129-R143 PolarHBondContact N-O 2.87Å; E130-R143 PolarHBondContact O-N 2.8Å; R143-P170 PolarHBondContact NE-O 3.28Å; R143-P170 PolarHBondContact NH2-O 3.43Å; R143-Y173 HydrophobicContact CB-CD1 4.05Å; R143-Y173 HydrophobicContact CB-CE1 3.86Å; R143-Y173 HydrophobicContact CG-CD1 4.21Å; R143-Y173 HydrophobicContact CG-CE1 3.8Å; R143-Y173 HydrophobicContact CG-CE2 4.39Å
144	G	93	Very high	88.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.			trans	-64.6	-177.5	171.1	0	0	0	0	0	113.1	P128 G129 S169 P170 I172	P128-G144 VanDerWaalsContact CA-O 3.25Å; P128-G144 WeakPolarHBondContact CA-O 3.42Å; P128-G144 WeakPolarHBondContact CB-O 3.49Å; G129-G144 PolarHBondContact N-O 3.37Å; G144-S169 CarbonylContact C-O 3.58Å; G144-S169 VanDerWaalsContact CA-O 3.24Å; G144-S169 WeakPolarHBondContact CA-O 3.5Å; G144-P170 WeakPolarHBondContact O-CA 2.91Å; G144-I172 PolarHBondContact N-O 2.81Å
145	G	92	Very high	88.9	Confident	24 Å²	24	47.9 Å²	47.9	25%	0.247	25%	0.248	C	C	.	.			trans	110.8	10.3	178.8	0	0	0	0	0	115.4	R167 L168 S169	G145-R167 PolarHBondContact N-O 2.8Å; G145-L168 WeakPolarHBondContact CA-O 3.42Å; G145-S169 PolarHBondContact N-O 3.23Å
146	V	94.1	Very high	89.4	Confident	43 Å²	43	44.6 Å²	44.6	26%	0.261	24%	0.238	S	C	.	.			trans	-138.4	138.1	176.9	-62.6	0	0	0	0	111.3	G129 L149 W159 R167	G129-V146 VanDerWaalsContact CA-CG2 3.47Å; V146-L149 HydrophobicContact CG2-CD2 3.98Å; V146-W159 HydrophobicContact CG2-CZ2 3.96Å; V146-W159 PolarHBondContact O-NE1 2.92Å; V146-R167 PolarHBondContact N-O 2.73Å; V146-R167 VanDerWaalsContact N-O 3.1Å
147	A	92.5	Very high	90	Very high	45 Å²	45	46.7 Å²	46.7	37%	0.372	25%	0.251	S	S	.	.	S	Bend	trans	-65.3	-44.2	178.8	0	0	0	0	0	111.6	W159 Q160 R167 L168	A147-W159 PolarHBondContact O-NE1 2.79Å; A147-Q160 PolarHBondContact O-NE2 3.06Å; A147-R167 WeakPolarHBondContact O-CD 3.21Å; A147-R167 PolarHBondContact O-NH1 3.32Å; A147-L168 HydrophobicContact CB-CD2 3.89Å
148	K	93.2	Very high	90.4	Very high	117 Å²	117	45.1 Å²	45.1	51%	0.509	24%	0.244	S	C	.	.			trans	-137.5	131.9	-173.2	179.7	165.6	177	-174.6	0	110.7	E151	K148-E151 IonicContact NZ-OE1 2.85Å; K148-E151 PolarHBondContact NZ-OE1 3.13Å
149	L	89.9	Confident	90.8	Very high	11 Å²	11	42 Å²	42	6%	0.058	23%	0.227	C	C	.	.			trans	-75.5	152.6	163.8	-58.6	-179	0	0	0	109.2	V146 E151 H153 L155 A156 W159	V146-L149 HydrophobicContact CG2-CD2 3.98Å; L149-E151 PolarHBondContact O-N 3.31Å; L149-H153 HydrophobicContact CB-CB 4.14Å; L149-L155 HydrophobicContact CD1-CB 4.12Å; L149-A156 HydrophobicContact CB-CB 4.23Å; L149-W159 HydrophobicContact CD1-CB 3.84Å; L149-W159 HydrophobicContact CD1-CD2 3.76Å; L149-W159 HydrophobicContact CD1-CE3 3.8Å; L149-W159 HydrophobicContact CD1-CG 3.81Å; L149-W159 HydrophobicContact CD2-CD2 4.29Å; L149-W159 HydrophobicContact CG-CB 4.1Å; L149-W159 HydrophobicContact CG-CD2 3.75Å; L149-W159 HydrophobicContact CG-CE3 4.23Å; L149-W159 HydrophobicContact CG-CG 3.68Å
150	N	86.8	Confident	91	Very high	113 Å²	113	45.5 Å²	45.5	60%	0.604	24%	0.244	S	C	*	.			trans	-51.6	139.6	174.3	-172.7	-54.9	0	0	0	110.3	S152 H153 A156	N150-S152 PolarHBondContact O-N 2.89Å; N150-S152 VanDerWaalsContact O-N 3.15Å; N150-S152 WeakPolarHBondContact OD1-CB 3.1Å; N150-S152 PolarHBondContact OD1-N 2.79Å; N150-S152 PolarHBondContact OD1-OG 2.96Å; N150-H153 WeakPolarHBondContact O-CA 3.39Å; N150-H153 WeakPolarHBondContact O-CB 3.47Å; N150-H153 PolarHBondContact O-N 3.3Å; N150-A156 WeakPolarHBondContact O-CB 3.44Å
151	E	84.1	Confident	90.8	Very high	152 Å²	152	45.8 Å²	45.8	71%	0.71	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.3	-177.1	-64.6	-178.5	171.4	0	0	113.6	K148 L149 H153	K148-E151 IonicContact NZ-OE1 2.85Å; K148-E151 PolarHBondContact NZ-OE1 3.13Å; L149-E151 PolarHBondContact O-N 3.31Å; E151-H153 PolarHBondContact O-N 2.99Å
152	S	84.6	Confident	90.6	Very high	101 Å²	101	46 Å²	46	71%	0.706	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.9	172	63	0	0	0	0	113.7	N150	N150-S152 PolarHBondContact O-N 2.89Å; N150-S152 VanDerWaalsContact O-N 3.15Å; N150-S152 WeakPolarHBondContact OD1-CB 3.1Å; N150-S152 PolarHBondContact OD1-N 2.79Å; N150-S152 PolarHBondContact OD1-OG 2.96Å
153	H	86.1	Confident	90.4	Very high	45 Å²	45	48.1 Å²	48.1	21%	0.208	27%	0.266	C	S	.	.	S	Bend	trans	-72.7	129.7	178	-166.4	-82.5	0	0	0	110.4	D131 L149 N150 E151 L155 A156	D131-H153 IonicContact OD1-NE2 3.91Å; D131-H153 PolarHBondContact OD1-NE2 2.85Å; D131-H153 IonicContact OD2-NE2 3.87Å; L149-H153 HydrophobicContact CB-CB 4.14Å; N150-H153 WeakPolarHBondContact O-CA 3.39Å; N150-H153 WeakPolarHBondContact O-CB 3.47Å; N150-H153 PolarHBondContact O-N 3.3Å; E151-H153 PolarHBondContact O-N 2.99Å; H153-L155 PolarHBondContact ND1-N 2.93Å; H153-L155 VanDerWaalsContact ND1-N 3.13Å; H153-L155 PolarHBondContact O-N 2.98Å; H153-L155 VanDerWaalsContact O-N 3.17Å; H153-A156 HydrophobicContact CB-CB 4.38Å; H153-A156 WeakPolarHBondContact O-CB 3.38Å; H153-A156 PolarHBondContact O-N 2.88Å
154	R	85.8	Confident	90.2	Very high	66 Å²	66	50.8 Å²	50.8	25%	0.249	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.1	-174.8	-72.6	173.4	153.4	-111	-3.2	114	A156 T450 N470 N472	R154-A156 VanDerWaalsContact C-N 3.33Å; R154-T450 VanDerWaalsContact CZ-CG2 3.41Å; R154-T450 VanDerWaalsContact NH2-CG2 3.27Å; R154-N470 PolarHBondContact NH1-O 3.06Å; R154-N472 PolarHBondContact NH1-OD1 3.47Å
155	L	91.9	Very high	89.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.3	178.3	-51.4	177	0	0	0	113.3	W140 V142 L149 H153 L158 W159 T176 P179 W183	W140-L155 HydrophobicContact CB-CD1 3.8Å; W140-L155 HydrophobicContact CD2-CD1 4.07Å; W140-L155 HydrophobicContact CD2-CD2 4.02Å; W140-L155 HydrophobicContact CD2-CG 4.44Å; W140-L155 HydrophobicContact CE3-CD2 4.09Å; W140-L155 HydrophobicContact CG-CD1 3.61Å; W140-L155 HydrophobicContact CG-CD2 4.45Å; W140-L155 HydrophobicContact CG-CG 4.44Å; W140-L155 HydrophobicContact CZ3-CD2 4.47Å; V142-L155 HydrophobicContact CG2-CD1 3.77Å; L149-L155 HydrophobicContact CD1-CB 4.12Å; H153-L155 PolarHBondContact ND1-N 2.93Å; H153-L155 VanDerWaalsContact ND1-N 3.13Å; H153-L155 PolarHBondContact O-N 2.98Å; H153-L155 VanDerWaalsContact O-N 3.17Å; L155-L158 PolarHBondContact O-N 3.08Å; L155-W159 WeakPolarHBondContact O-CB 3.4Å; L155-W159 PolarHBondContact O-N 3.08Å; L155-T176 HydrophobicContact CD1-CG2 4.41Å; L155-T176 HydrophobicContact CD2-CG2 4.06Å; L155-P179 HydrophobicContact CD2-CB 4.12Å; L155-P179 HydrophobicContact CD2-CG 4.37Å; L155-W183 HydrophobicContact CB-CH2 4.26Å; L155-W183 HydrophobicContact CB-CZ2 4.21Å; L155-W183 HydrophobicContact CD1-CH2 3.64Å; L155-W183 HydrophobicContact CD1-CZ2 4.41Å; L155-W183 HydrophobicContact CD1-CZ3 4.47Å; L155-W183 HydrophobicContact CG-CH2 4.38Å
156	A	91.3	Very high	89.7	Confident	10 Å²	10	55.4 Å²	55.4	8%	0.083	30%	0.296	C	S	.	.	H	α-helix	trans	-57.7	-42.6	-175	0	0	0	0	0	114	L149 N150 H153 R154 W159 Q160	L149-A156 HydrophobicContact CB-CB 4.23Å; N150-A156 WeakPolarHBondContact O-CB 3.44Å; H153-A156 HydrophobicContact CB-CB 4.38Å; H153-A156 WeakPolarHBondContact O-CB 3.38Å; H153-A156 PolarHBondContact O-N 2.88Å; R154-A156 VanDerWaalsContact C-N 3.33Å; A156-W159 WeakPolarHBondContact O-CB 3.42Å; A156-W159 PolarHBondContact O-N 3.25Å; A156-Q160 PolarHBondContact O-N 3.4Å
157	P	89.8	Confident	89.6	Confident	64 Å²	64	54.5 Å²	54.5	42%	0.416	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-47.2	176	-22.6	34.5	0	0	0	112.2	W159 Q160 A161	P157-W159 VanDerWaalsContact C-N 3.29Å; P157-W159 PolarHBondContact O-N 3.34Å; P157-Q160 PolarHBondContact O-N 2.77Å; P157-A161 PolarHBondContact O-N 3.45Å
158	L	93.1	Very high	89.5	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-66.4	-31.9	178.8	-169.4	68.7	0	0	0	112.4	L155 Q160 A161 T176 P179 Q180 G181 W183 R215	L155-L158 PolarHBondContact O-N 3.08Å; L158-Q160 VanDerWaalsContact C-N 3.35Å; L158-A161 WeakPolarHBondContact O-CB 3.35Å; L158-A161 PolarHBondContact O-N 2.82Å; L158-T176 HydrophobicContact CD2-CG2 4.32Å; L158-P179 WeakPolarHBondContact CB-O 3.38Å; L158-Q180 VanDerWaalsContact CD1-C 3.41Å; L158-Q180 WeakPolarHBondContact CD1-O 3.39Å; L158-G181 VanDerWaalsContact CD2-CA 3.48Å; L158-G181 VanDerWaalsContact CD2-N 3.3Å; L158-W183 HydrophobicContact CD2-CD2 4.06Å; L158-W183 HydrophobicContact CD2-CG 4.36Å; L158-W183 HydrophobicContact CD2-CZ2 3.91Å; L158-W183 HydrophobicContact CG-CZ2 4.28Å; L158-W183 VanDerWaalsContact CG-NE1 3.33Å; L158-W183 PolarHBondContact O-NE1 2.79Å; L158-R215 HydrophobicContact CD1-CB 3.68Å
159	W	94	Very high	89.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-45.2	174	-168.7	-96.2	0	0	0	110.5	V142 V146 A147 L149 L155 A156 P157 A161 L162 R167 L174 W183	V142-W159 HydrophobicContact CB-CZ3 4.07Å; V142-W159 HydrophobicContact CG1-CE3 4.38Å; V142-W159 HydrophobicContact CG1-CH2 3.9Å; V142-W159 HydrophobicContact CG1-CZ3 3.48Å; V142-W159 VanDerWaalsContact CG1-CZ3 3.48Å; V146-W159 HydrophobicContact CG2-CZ2 3.96Å; V146-W159 PolarHBondContact O-NE1 2.92Å; A147-W159 PolarHBondContact O-NE1 2.79Å; L149-W159 HydrophobicContact CD1-CB 3.84Å; L149-W159 HydrophobicContact CD1-CD2 3.76Å; L149-W159 HydrophobicContact CD1-CE3 3.8Å; L149-W159 HydrophobicContact CD1-CG 3.81Å; L149-W159 HydrophobicContact CD2-CD2 4.29Å; L149-W159 HydrophobicContact CG-CB 4.1Å; L149-W159 HydrophobicContact CG-CD2 3.75Å; L149-W159 HydrophobicContact CG-CE3 4.23Å; L149-W159 HydrophobicContact CG-CG 3.68Å; L155-W159 WeakPolarHBondContact O-CB 3.4Å; L155-W159 PolarHBondContact O-N 3.08Å; A156-W159 WeakPolarHBondContact O-CB 3.42Å; A156-W159 PolarHBondContact O-N 3.25Å; P157-W159 VanDerWaalsContact C-N 3.29Å; P157-W159 PolarHBondContact O-N 3.34Å; W159-A161 PolarHBondContact O-N 2.76Å; W159-L162 HydrophobicContact CD2-CD1 4.41Å; W159-L162 HydrophobicContact CE3-CD1 4.11Å; W159-L162 HydrophobicContact CZ3-CD1 4.45Å; W159-L162 VanDerWaalsContact O-CB 3.31Å; W159-L162 WeakPolarHBondContact O-CB 3.36Å; W159-L162 PolarHBondContact O-N 2.79Å; W159-R167 HydrophobicContact CD2-CG 4.43Å; W159-R167 HydrophobicContact CZ2-CB 4.29Å; W159-R167 HydrophobicContact CZ2-CG 4.33Å; W159-R167 VanDerWaalsContact O-CD 3.29Å; W159-R167 WeakPolarHBondContact O-CD 3.2Å; W159-L174 HydrophobicContact CE3-CD1 4.13Å; W159-L174 HydrophobicContact CH2-CD1 3.58Å; W159-L174 HydrophobicContact CZ3-CD1 3.31Å; W159-W183 HydrophobicContact CE3-CH2 4.23Å; W159-W183 AromaticContact CE3-CZ2 3.84Å; W159-W183 HydrophobicContact CE3-CZ2 3.84Å; W159-W183 HydrophobicContact CZ3-CH2 4.47Å; W159-W183 HydrophobicContact CZ3-CZ2 4.46Å
160	Q	91.5	Very high	89.3	Confident	87 Å²	87	52.5 Å²	52.5	41%	0.407	28%	0.28	S	S	.	.	H	α-helix	trans	-66.4	-19.8	179.3	-65	-52.5	-46.2	0	0	113.9	A147 A156 P157 L158 L162	A147-Q160 PolarHBondContact O-NE2 3.06Å; A156-Q160 PolarHBondContact O-N 3.4Å; P157-Q160 PolarHBondContact O-N 2.77Å; L158-Q160 VanDerWaalsContact C-N 3.35Å; Q160-L162 PolarHBondContact O-N 3.05Å
161	A	88.9	Confident	89.3	Confident	26 Å²	26	49.9 Å²	49.9	22%	0.215	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.6	172.2	0	0	0	0	0	113.3	P157 L158 W159	P157-A161 PolarHBondContact O-N 3.45Å; L158-A161 WeakPolarHBondContact O-CB 3.35Å; L158-A161 PolarHBondContact O-N 2.82Å; W159-A161 PolarHBondContact O-N 2.76Å
162	L	91.3	Very high	89.7	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.016	23%	0.231	C	C	.	.	S	Bend	trans	-74.7	136.3	175.2	-72.3	166.8	0	0	0	111.3	W159 Q160 E164 L166 R167 L174 W183 V213	W159-L162 HydrophobicContact CD2-CD1 4.41Å; W159-L162 HydrophobicContact CE3-CD1 4.11Å; W159-L162 HydrophobicContact CZ3-CD1 4.45Å; W159-L162 VanDerWaalsContact O-CB 3.31Å; W159-L162 WeakPolarHBondContact O-CB 3.36Å; W159-L162 PolarHBondContact O-N 2.79Å; Q160-L162 PolarHBondContact O-N 3.05Å; L162-E164 PolarHBondContact O-N 3.09Å; L162-L166 HydrophobicContact CD2-CD1 4.26Å; L162-R167 HydrophobicContact CB-CG 3.7Å; L162-R167 HydrophobicContact CD1-CG 4.31Å; L162-R167 PolarHBondContact O-NE 2.98Å; L162-R167 VanDerWaalsContact O-NE 3.07Å; L162-L174 HydrophobicContact CD1-CD1 3.49Å; L162-L174 VanDerWaalsContact CD1-CD1 3.49Å; L162-L174 HydrophobicContact CD1-CD2 4.05Å; L162-L174 HydrophobicContact CD1-CG 4.39Å; L162-L174 HydrophobicContact CD2-CD2 4.21Å; L162-W183 HydrophobicContact CD1-CD2 4.24Å; L162-W183 HydrophobicContact CD1-CG 4.04Å; L162-W183 HydrophobicContact CD2-CB 3.99Å; L162-W183 VanDerWaalsContact CD2-CD1 3.4Å; L162-W183 HydrophobicContact CD2-CG 3.83Å; L162-W183 HydrophobicContact CG-CG 4.1Å; L162-V213 HydrophobicContact CD2-CB 3.91Å; L162-V213 HydrophobicContact CD2-CG1 4.11Å; L162-V213 HydrophobicContact CD2-CG2 4.16Å
163	P	89.2	Confident	90.2	Very high	46 Å²	46	38.1 Å²	38.1	30%	0.299	20%	0.198	S	C	.	.			trans	-44.2	140.6	164.1	-29.4	32.7	0	0	0	112.4	E165 L166 R167	P163-E165 VanDerWaalsContact C-N 3.28Å; P163-E165 PolarHBondContact O-N 3.04Å; P163-L166 HydrophobicContact CB-CD1 4.26Å; P163-L166 HydrophobicContact CB-CG 4.37Å; P163-L166 HydrophobicContact CG-CD1 4.08Å; P163-L166 WeakPolarHBondContact O-CB 3.25Å; P163-L166 PolarHBondContact O-N 3.29Å; P163-L166 VanDerWaalsContact O-N 3.13Å; P163-R167 PolarHBondContact O-N 2.96Å
164	E	90.4	Very high	90.6	Very high	110 Å²	110	36 Å²	36	51%	0.514	19%	0.188	S	C	.	.	H	α-helix	trans	-60.3	-38.6	-174.5	-173	164.1	158	0	0	112.7	L162 L166 R167 L168	L162-E164 PolarHBondContact O-N 3.09Å; E164-L166 PolarHBondContact O-N 2.93Å; E164-R167 VanDerWaalsContact CB-NH2 3.33Å; E164-R167 PolarHBondContact O-N 2.77Å; E164-R167 VanDerWaalsContact O-N 3.13Å; E164-R167 IonicContact OE2-NH2 3.72Å; E164-L168 HydrophobicContact CG-CD1 3.67Å; E164-L168 HydrophobicContact CG-CG 3.99Å; E164-L168 WeakPolarHBondContact O-CG 3.41Å; E164-L168 PolarHBondContact O-N 3.11Å
165	E	87	Confident	91.1	Very high	114 Å²	114	32.9 Å²	32.9	53%	0.533	18%	0.176	S	C	.	.	H	α-helix	trans	-60.8	-36.3	179.7	-46.4	96.8	-161.7	0	0	111.8	P163 S169 V192	P163-E165 VanDerWaalsContact C-N 3.28Å; P163-E165 PolarHBondContact O-N 3.04Å; E165-S169 PolarHBondContact O-N 3.26Å; E165-V192 HydrophobicContact CB-CG1 4.36Å
166	L	88.9	Confident	91.2	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-69.5	-41.7	176.8	-69.5	177.6	0	0	0	111.9	L162 P163 E164 I172 I185 V192 V213	L162-L166 HydrophobicContact CD2-CD1 4.26Å; P163-L166 HydrophobicContact CB-CD1 4.26Å; P163-L166 HydrophobicContact CB-CG 4.37Å; P163-L166 HydrophobicContact CG-CD1 4.08Å; P163-L166 WeakPolarHBondContact O-CB 3.25Å; P163-L166 PolarHBondContact O-N 3.29Å; P163-L166 VanDerWaalsContact O-N 3.13Å; E164-L166 PolarHBondContact O-N 2.93Å; L166-I172 HydrophobicContact CD2-CD1 3.46Å; L166-I172 VanDerWaalsContact CD2-CD1 3.46Å; L166-I185 HydrophobicContact CD1-CD1 3.49Å; L166-I185 VanDerWaalsContact CD1-CD1 3.49Å; L166-I185 HydrophobicContact CD1-CG1 4.3Å; L166-I185 HydrophobicContact CD2-CD1 4.43Å; L166-I185 HydrophobicContact CD2-CG2 3.97Å; L166-V192 HydrophobicContact CD2-CB 4.34Å; L166-V192 HydrophobicContact CD2-CG1 3.94Å; L166-V192 HydrophobicContact CD2-CG2 3.4Å; L166-V192 VanDerWaalsContact CD2-CG2 3.4Å; L166-V192 HydrophobicContact CG-CG2 4.38Å; L166-V213 HydrophobicContact CD1-CG2 4.37Å
167	R	91.7	Very high	91.2	Very high	24 Å²	24	36.7 Å²	36.7	9%	0.091	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-40.7	179.2	-71.5	-172.8	-80.7	125.1	3.2	112.3	G145 V146 A147 W159 L162 P163 E164 S169	G145-R167 PolarHBondContact N-O 2.8Å; V146-R167 PolarHBondContact N-O 2.73Å; V146-R167 VanDerWaalsContact N-O 3.1Å; A147-R167 WeakPolarHBondContact O-CD 3.21Å; A147-R167 PolarHBondContact O-NH1 3.32Å; W159-R167 HydrophobicContact CD2-CG 4.43Å; W159-R167 HydrophobicContact CZ2-CB 4.29Å; W159-R167 HydrophobicContact CZ2-CG 4.33Å; W159-R167 VanDerWaalsContact O-CD 3.29Å; W159-R167 WeakPolarHBondContact O-CD 3.2Å; L162-R167 HydrophobicContact CB-CG 3.7Å; L162-R167 HydrophobicContact CD1-CG 4.31Å; L162-R167 PolarHBondContact O-NE 2.98Å; L162-R167 VanDerWaalsContact O-NE 3.07Å; P163-R167 PolarHBondContact O-N 2.96Å; E164-R167 VanDerWaalsContact CB-NH2 3.33Å; E164-R167 PolarHBondContact O-N 2.77Å; E164-R167 VanDerWaalsContact O-N 3.13Å; E164-R167 IonicContact OE2-NH2 3.72Å; R167-S169 VanDerWaalsContact C-N 3.35Å
168	L	91	Very high	91.3	Very high	68 Å²	68	34.7 Å²	34.7	36%	0.356	18%	0.183	S	C	.	.	H	α-helix	trans	-80.9	-11.8	-174.8	-66.9	-177.5	0	0	0	113.9	G145 A147 E164 P170	G145-L168 WeakPolarHBondContact CA-O 3.42Å; A147-L168 HydrophobicContact CB-CD2 3.89Å; E164-L168 HydrophobicContact CG-CD1 3.67Å; E164-L168 HydrophobicContact CG-CG 3.99Å; E164-L168 WeakPolarHBondContact O-CG 3.41Å; E164-L168 PolarHBondContact O-N 3.11Å; L168-P170 VanDerWaalsContact O-CD 3.23Å; L168-P170 WeakPolarHBondContact O-CD 3.46Å
169	S	89.3	Confident	91.2	Very high	18 Å²	18	34.8 Å²	34.8	13%	0.126	18%	0.184	C	C	.	.			trans	-81.1	112.7	-179.3	-174	0	0	0	0	112.2	G144 G145 E165 R167 H171 I172	G144-S169 CarbonylContact C-O 3.58Å; G144-S169 VanDerWaalsContact CA-O 3.24Å; G144-S169 WeakPolarHBondContact CA-O 3.5Å; G145-S169 PolarHBondContact N-O 3.23Å; E165-S169 PolarHBondContact O-N 3.26Å; R167-S169 VanDerWaalsContact C-N 3.35Å; S169-H171 PolarHBondContact O-N 2.9Å; S169-H171 VanDerWaalsContact O-N 3.11Å; S169-I172 PolarHBondContact O-N 3.47Å
170	P	88.9	Confident	91.1	Very high	45 Å²	45	36.1 Å²	36.1	29%	0.292	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-2	177.2	33.4	-37.5	0	0	0	113.1	P128 R143 G144 L168	P128-P170 HydrophobicContact CB-CB 4.37Å; P128-P170 HydrophobicContact CG-CB 4.06Å; R143-P170 PolarHBondContact NE-O 3.28Å; R143-P170 PolarHBondContact NH2-O 3.43Å; G144-P170 WeakPolarHBondContact O-CA 2.91Å; L168-P170 VanDerWaalsContact O-CD 3.23Å; L168-P170 WeakPolarHBondContact O-CD 3.46Å
171	H	87.2	Confident	91.2	Very high	57 Å²	57	32.6 Å²	32.6	26%	0.264	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-8.6	-178.8	-58	-58.8	0	0	0	112.3	S169 W188 L199 L203 R207	S169-H171 PolarHBondContact O-N 2.9Å; S169-H171 VanDerWaalsContact O-N 3.11Å; H171-W188 HydrophobicContact CB-CE3 4.05Å; H171-W188 HydrophobicContact CB-CH2 3.25Å; H171-W188 HydrophobicContact CB-CZ2 4.29Å; H171-W188 HydrophobicContact CB-CZ3 3.11Å; H171-W188 AromaticContact CG-CH2 3.97Å; H171-W188 WeakPolarHBondContact O-CZ3 3.27Å; H171-L199 VanDerWaalsContact CD2-CD1 3.43Å; H171-L199 WeakPolarHBondContact CD2-CD1 3.49Å; H171-L203 HydrophobicContact CB-CD1 4.08Å; H171-L203 VanDerWaalsContact ND1-CD1 3.25Å; H171-L203 WeakPolarHBondContact ND1-CD1 3.47Å; H171-R207 PolarHBondContact O-NE 2.53Å; H171-R207 PolarHBondContact O-NH2 2.8Å
172	I	91.3	Very high	91.5	Very high	3 Å²	3	33 Å²	33	2%	0.015	18%	0.178	C	C	.	.			trans	-93.3	139.8	175.9	-66.2	179.4	0	0	0	109.4	G144 L166 S169 L174 I185 W188 V192	G144-I172 PolarHBondContact N-O 2.81Å; L166-I172 HydrophobicContact CD2-CD1 3.46Å; L166-I172 VanDerWaalsContact CD2-CD1 3.46Å; S169-I172 PolarHBondContact O-N 3.47Å; I172-L174 HydrophobicContact CG2-CD2 4.31Å; I172-L174 HydrophobicContact CG2-CG 4.26Å; I172-I185 HydrophobicContact CG2-CG2 3.83Å; I172-W188 HydrophobicContact CG1-CZ3 4.17Å; I172-V192 HydrophobicContact CD1-CG1 4.11Å
173	Y	95	Very high	91.7	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	147.4	168.4	-69.7	-101.2	0	0	0	108.9	L104 L106 L111 L126 L141 V142 R143 L186 R207	L104-Y173 HydrophobicContact CD2-CD1 3.77Å; L104-Y173 HydrophobicContact CD2-CD2 3.7Å; L104-Y173 HydrophobicContact CD2-CE1 4.32Å; L104-Y173 HydrophobicContact CD2-CE2 4.27Å; L104-Y173 HydrophobicContact CD2-CG 3.41Å; L104-Y173 VanDerWaalsContact CD2-CG 3.41Å; L106-Y173 HydrophobicContact CD2-CE2 4.19Å; L111-Y173 HydrophobicContact CD1-CD1 4.32Å; L111-Y173 HydrophobicContact CD1-CE1 3.6Å; L126-Y173 HydrophobicContact CB-CE1 4.44Å; L126-Y173 HydrophobicContact CD1-CD1 4.46Å; L126-Y173 HydrophobicContact CD1-CE1 4.4Å; L141-Y173 HydrophobicContact CG-CD1 4.48Å; V142-Y173 CarbonylContact O-C 3.37Å; V142-Y173 WeakPolarHBondContact O-CA 3.43Å; R143-Y173 HydrophobicContact CB-CD1 4.05Å; R143-Y173 HydrophobicContact CB-CE1 3.86Å; R143-Y173 HydrophobicContact CG-CD1 4.21Å; R143-Y173 HydrophobicContact CG-CE1 3.8Å; R143-Y173 HydrophobicContact CG-CE2 4.39Å; Y173-L186 PolarHBondContact N-O 3.24Å; Y173-L186 WeakPolarHBondContact O-CA 3.41Å; Y173-L186 WeakPolarHBondContact O-CB 3.45Å; Y173-L186 PolarHBondContact O-N 3.13Å; Y173-R207 HydrophobicContact CD2-CG 4.04Å
174	L	95.5	Very high	92	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.4	-175.3	-66.2	157.9	0	0	0	107.4	L141 V142 W159 L162 I172 W183 W184 I185	L141-L174 CarbonylContact C-O 3.59Å; L141-L174 WeakPolarHBondContact CA-O 3.14Å; V142-L174 HydrophobicContact CB-CB 4.47Å; V142-L174 PolarHBondContact N-O 2.96Å; V142-L174 PolarHBondContact O-N 2.79Å; W159-L174 HydrophobicContact CE3-CD1 4.13Å; W159-L174 HydrophobicContact CH2-CD1 3.58Å; W159-L174 HydrophobicContact CZ3-CD1 3.31Å; L162-L174 HydrophobicContact CD1-CD1 3.49Å; L162-L174 VanDerWaalsContact CD1-CD1 3.49Å; L162-L174 HydrophobicContact CD1-CD2 4.05Å; L162-L174 HydrophobicContact CD1-CG 4.39Å; L162-L174 HydrophobicContact CD2-CD2 4.21Å; I172-L174 HydrophobicContact CG2-CD2 4.31Å; I172-L174 HydrophobicContact CG2-CG 4.26Å; L174-W183 HydrophobicContact CB-CD2 4.25Å; L174-W183 HydrophobicContact CB-CE3 3.6Å; L174-W183 HydrophobicContact CB-CZ3 3.76Å; L174-W183 HydrophobicContact CD2-CB 4.3Å; L174-W183 HydrophobicContact CD2-CG 4.48Å; L174-W184 WeakPolarHBondContact CA-O 3.38Å; L174-I185 HydrophobicContact CD2-CB 4.42Å; L174-I185 HydrophobicContact CD2-CG1 3.95Å; L174-I185 HydrophobicContact CD2-CG2 4.44Å
175	A	95.3	Very high	92.2	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	146.6	173.9	0	0	0	0	0	110.7	W140 L141 W184 L186	W140-A175 CarbonylContact O-C 3.59Å; W140-A175 WeakPolarHBondContact O-CA 3.32Å; L141-A175 HydrophobicContact CD1-CB 4.19Å; A175-W184 VanDerWaalsContact C-CE3 3.45Å; A175-W184 HydrophobicContact CB-CB 4.17Å; A175-W184 HydrophobicContact CB-CE3 3.7Å; A175-W184 PolarHBondContact N-O 2.61Å; A175-W184 WeakPolarHBondContact O-CB 3.21Å; A175-W184 PolarHBondContact O-N 3.35Å; A175-L186 HydrophobicContact CB-CD1 4.37Å
176	T	95	Very high	92.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	143.1	172.8	-179.9	0	0	0	0	109.8	F139 W140 L155 L158 S178 P182 W183	F139-T176 CarbonylContact C-O 3.57Å; F139-T176 WeakPolarHBondContact CA-O 3.5Å; F139-T176 VanDerWaalsContact CB-O 3.29Å; F139-T176 WeakPolarHBondContact CB-O 3.22Å; W140-T176 HydrophobicContact CB-CG2 4.25Å; W140-T176 HydrophobicContact CE3-CG2 4.1Å; W140-T176 PolarHBondContact N-O 3.07Å; W140-T176 PolarHBondContact O-N 3.07Å; L155-T176 HydrophobicContact CD1-CG2 4.41Å; L155-T176 HydrophobicContact CD2-CG2 4.06Å; L158-T176 HydrophobicContact CD2-CG2 4.32Å; T176-S178 VanDerWaalsContact C-N 3.34Å; T176-S178 PolarHBondContact OG1-N 3.23Å; T176-S178 VanDerWaalsContact OG1-N 3.09Å; T176-S178 PolarHBondContact OG1-O 2.88Å; T176-P182 PolarHBondContact OG1-O 3.17Å; T176-W183 HydrophobicContact CG2-CD2 4.5Å; T176-W183 HydrophobicContact CG2-CE3 3.74Å; T176-W183 HydrophobicContact CG2-CH2 3.81Å; T176-W183 HydrophobicContact CG2-CZ3 3.37Å
177	N	91.4	Very high	92.6	Very high	89 Å²	89	23.1 Å²	23.1	48%	0.476	13%	0.125	S	C	.	.	S	Bend	trans	-92.6	3.7	171.4	64.6	-4.2	0	0	0	113	F139 W184	F139-N177 HydrophobicContact CB-CB 3.89Å; N177-W184 HydrophobicContact CB-CH2 4Å; N177-W184 HydrophobicContact CB-CZ3 4.26Å
178	S	91.5	Very high	91.8	Very high	23 Å²	23	23.5 Å²	23.5	16%	0.161	13%	0.127	C	C	.	.	S	Bend	trans	-150.6	138.4	-172.4	166	0	0	0	0	111.5	T176 Q180 G181	T176-S178 VanDerWaalsContact C-N 3.34Å; T176-S178 PolarHBondContact OG1-N 3.23Å; T176-S178 VanDerWaalsContact OG1-N 3.09Å; T176-S178 PolarHBondContact OG1-O 2.88Å; S178-Q180 PolarHBondContact O-N 2.98Å; S178-Q180 VanDerWaalsContact O-N 3.09Å; S178-Q180 WeakPolarHBondContact OG-CB 3.27Å; S178-Q180 PolarHBondContact OG-N 3.36Å; S178-Q180 PolarHBondContact OG-OE1 3.28Å; S178-G181 PolarHBondContact O-N 2.97Å
179	P	91	Very high	90.3	Very high	4 Å²	4	21.3 Å²	21.3	3%	0.026	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-6.9	168.7	-20.8	34	0	0	0	114.5	W140 L155 L158 Q471	W140-P179 HydrophobicContact CH2-CG 3.73Å; W140-P179 HydrophobicContact CZ2-CG 4.48Å; W140-P179 HydrophobicContact CZ3-CG 4.07Å; L155-P179 HydrophobicContact CD2-CB 4.12Å; L155-P179 HydrophobicContact CD2-CG 4.37Å; L158-P179 WeakPolarHBondContact CB-O 3.38Å; P179-Q471 HydrophobicContact CB-CB 4.32Å; P179-Q471 WeakPolarHBondContact CB-O 3.45Å; P179-Q471 WeakPolarHBondContact CD-O 3.3Å; P179-Q471 WeakPolarHBondContact CG-O 3.38Å
180	Q	91.8	Very high	88.7	Confident	28 Å²	28	24.8 Å²	24.8	13%	0.131	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-6.9	171.1	-66.6	79.4	9.2	0	0	113.4	L158 S178 Q471	L158-Q180 VanDerWaalsContact CD1-C 3.41Å; L158-Q180 WeakPolarHBondContact CD1-O 3.39Å; S178-Q180 PolarHBondContact O-N 2.98Å; S178-Q180 VanDerWaalsContact O-N 3.09Å; S178-Q180 WeakPolarHBondContact OG-CB 3.27Å; S178-Q180 PolarHBondContact OG-N 3.36Å; S178-Q180 PolarHBondContact OG-OE1 3.28Å; Q180-Q471 VanDerWaalsContact NE2-C 3.29Å; Q180-Q471 PolarHBondContact NE2-O 3.03Å; Q180-Q471 PolarHBondContact OE1-O 2.68Å
181	G	92.9	Very high	87.4	Confident	13 Å²	13	30.3 Å²	30.3	13%	0.134	15%	0.146	C	C	.	.			trans	79.9	-162.9	-177.1	0	0	0	0	0	113.9	L158 S178	L158-G181 VanDerWaalsContact CD2-CA 3.48Å; L158-G181 VanDerWaalsContact CD2-N 3.3Å; S178-G181 PolarHBondContact O-N 2.97Å
182	P	95.2	Very high	86	Confident	36 Å²	36	30.2 Å²	30.2	23%	0.234	15%	0.15	C	C	.	.			cis	-70.2	161.8	3.8	31.7	-36.3	0	0	0	112.7	L70 T176 L212 V213 D214	L70-P182 HydrophobicContact CD2-CB 4.22Å; L70-P182 HydrophobicContact CD2-CG 4.49Å; T176-P182 PolarHBondContact OG1-O 3.17Å; P182-L212 HydrophobicContact CB-CB 4.39Å; P182-V213 CarbonylContact C-O 3.51Å; P182-V213 VanDerWaalsContact CA-O 3.31Å; P182-V213 WeakPolarHBondContact CA-O 3.38Å; P182-V213 WeakPolarHBondContact CB-O 3.48Å; P182-D214 HydrophobicContact CB-CB 4.47Å
183	W	95.7	Very high	84.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.7	163.1	-76.1	119.1	0	0	0	110.6	V142 L155 L158 W159 L162 L174 T176 L212 V213	V142-W183 HydrophobicContact CB-CH2 4.43Å; V142-W183 HydrophobicContact CB-CZ3 4.5Å; V142-W183 HydrophobicContact CG2-CH2 3.8Å; V142-W183 HydrophobicContact CG2-CZ3 3.96Å; L155-W183 HydrophobicContact CB-CH2 4.26Å; L155-W183 HydrophobicContact CB-CZ2 4.21Å; L155-W183 HydrophobicContact CD1-CH2 3.64Å; L155-W183 HydrophobicContact CD1-CZ2 4.41Å; L155-W183 HydrophobicContact CD1-CZ3 4.47Å; L155-W183 HydrophobicContact CG-CH2 4.38Å; L158-W183 HydrophobicContact CD2-CD2 4.06Å; L158-W183 HydrophobicContact CD2-CG 4.36Å; L158-W183 HydrophobicContact CD2-CZ2 3.91Å; L158-W183 HydrophobicContact CG-CZ2 4.28Å; L158-W183 VanDerWaalsContact CG-NE1 3.33Å; L158-W183 PolarHBondContact O-NE1 2.79Å; W159-W183 HydrophobicContact CE3-CH2 4.23Å; W159-W183 AromaticContact CE3-CZ2 3.84Å; W159-W183 HydrophobicContact CE3-CZ2 3.84Å; W159-W183 HydrophobicContact CZ3-CH2 4.47Å; W159-W183 HydrophobicContact CZ3-CZ2 4.46Å; L162-W183 HydrophobicContact CD1-CD2 4.24Å; L162-W183 HydrophobicContact CD1-CG 4.04Å; L162-W183 HydrophobicContact CD2-CB 3.99Å; L162-W183 VanDerWaalsContact CD2-CD1 3.4Å; L162-W183 HydrophobicContact CD2-CG 3.83Å; L162-W183 HydrophobicContact CG-CG 4.1Å; L174-W183 HydrophobicContact CB-CD2 4.25Å; L174-W183 HydrophobicContact CB-CE3 3.6Å; L174-W183 HydrophobicContact CB-CZ3 3.76Å; L174-W183 HydrophobicContact CD2-CB 4.3Å; L174-W183 HydrophobicContact CD2-CG 4.48Å; T176-W183 HydrophobicContact CG2-CD2 4.5Å; T176-W183 HydrophobicContact CG2-CE3 3.74Å; T176-W183 HydrophobicContact CG2-CH2 3.81Å; T176-W183 HydrophobicContact CG2-CZ3 3.37Å; W183-L212 CarbonylContact O-C 3.21Å; W183-L212 WeakPolarHBondContact O-CA 3.27Å; W183-V213 PolarHBondContact N-O 3.11Å; W183-V213 PolarHBondContact O-N 3.02Å
184	W	95.6	Very high	82.8	Confident	60 Å²	60	32.5 Å²	32.5	23%	0.227	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	114	161.2	-63.7	-62.8	0	0	0	109.5	L174 A175 N177 L209 L212	L174-W184 WeakPolarHBondContact CA-O 3.38Å; A175-W184 VanDerWaalsContact C-CE3 3.45Å; A175-W184 HydrophobicContact CB-CB 4.17Å; A175-W184 HydrophobicContact CB-CE3 3.7Å; A175-W184 PolarHBondContact N-O 2.61Å; A175-W184 WeakPolarHBondContact O-CB 3.21Å; A175-W184 PolarHBondContact O-N 3.35Å; N177-W184 HydrophobicContact CB-CH2 4Å; N177-W184 HydrophobicContact CB-CZ3 4.26Å; W184-L209 HydrophobicContact CB-CD1 3.68Å; W184-L209 HydrophobicContact CG-CD1 4.28Å; W184-L212 HydrophobicContact CG-CD2 4.08Å
185	I	94.8	Very high	81	Confident	11 Å²	11	38.3 Å²	38.3	6%	0.056	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	116	-178.8	-54	164.9	0	0	0	109.8	L166 I172 L174 L209 T210 G211 V213	L166-I185 HydrophobicContact CD1-CD1 3.49Å; L166-I185 VanDerWaalsContact CD1-CD1 3.49Å; L166-I185 HydrophobicContact CD1-CG1 4.3Å; L166-I185 HydrophobicContact CD2-CD1 4.43Å; L166-I185 HydrophobicContact CD2-CG2 3.97Å; I172-I185 HydrophobicContact CG2-CG2 3.83Å; L174-I185 HydrophobicContact CD2-CB 4.42Å; L174-I185 HydrophobicContact CD2-CG1 3.95Å; L174-I185 HydrophobicContact CD2-CG2 4.44Å; I185-L209 WeakPolarHBondContact O-CA 3.5Å; I185-T210 WeakPolarHBondContact CG2-OG1 3.45Å; I185-T210 PolarHBondContact O-N 3.28Å; I185-T210 PolarHBondContact O-OG1 2.71Å; I185-G211 PolarHBondContact N-O 2.86Å; I185-V213 HydrophobicContact CD1-CG2 3.53Å; I185-V213 HydrophobicContact CG1-CG2 4.44Å
186	L	94.2	Very high	79.5	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	97.9	179.1	-55.7	168.5	0	0	0	109.3	I102 L104 L113 L141 Y173 A175 R207 V208 L209	I102-L186 HydrophobicContact CG2-CD2 3.81Å; L104-L186 HydrophobicContact CB-CD1 4.21Å; L104-L186 HydrophobicContact CD2-CD1 4.49Å; L113-L186 HydrophobicContact CD1-CD1 3.63Å; L141-L186 HydrophobicContact CD1-CD1 4.12Å; Y173-L186 PolarHBondContact N-O 3.24Å; Y173-L186 WeakPolarHBondContact O-CA 3.41Å; Y173-L186 WeakPolarHBondContact O-CB 3.45Å; Y173-L186 PolarHBondContact O-N 3.13Å; A175-L186 HydrophobicContact CB-CD1 4.37Å; L186-R207 HydrophobicContact CB-CB 3.88Å; L186-V208 CarbonylContact C-O 3.26Å; L186-V208 WeakPolarHBondContact CA-O 3.38Å; L186-L209 HydrophobicContact CD2-CB 4.3Å; L186-L209 HydrophobicContact CD2-CD1 4.03Å
187	G	90	Very high	78.1	Confident	2 Å²	2	49.6 Å²	49.6	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-169.5	179.6	0	0	0	0	0	112.5	R207 V208	G187-R207 VanDerWaalsContact C-CD 3.45Å; G187-R207 CarbonylContact O-C 3.55Å; G187-R207 WeakPolarHBondContact O-CA 3.43Å; G187-R207 WeakPolarHBondContact O-CB 3.41Å; G187-R207 WeakPolarHBondContact O-CD 3.2Å; G187-V208 PolarHBondContact N-O 3.1Å; G187-V208 PolarHBondContact O-N 2.88Å
188	W	76.2	Confident	76.8	Confident	32 Å²	32	54.1 Å²	54.1	12%	0.121	29%	0.285	C	S	.	.	S	Bend	trans	-125.3	-13.4	175.8	67.3	93.9	0	0	0	113.4	H171 I172 P193 L199 L203	H171-W188 HydrophobicContact CB-CE3 4.05Å; H171-W188 HydrophobicContact CB-CH2 3.25Å; H171-W188 HydrophobicContact CB-CZ2 4.29Å; H171-W188 HydrophobicContact CB-CZ3 3.11Å; H171-W188 AromaticContact CG-CH2 3.97Å; H171-W188 WeakPolarHBondContact O-CZ3 3.27Å; I172-W188 HydrophobicContact CG1-CZ3 4.17Å; W188-P193 HydrophobicContact CH2-CG 4.06Å; W188-P193 HydrophobicContact CZ2-CG 3.59Å; W188-L199 HydrophobicContact CH2-CD1 3.96Å; W188-L199 HydrophobicContact CH2-CD2 4.48Å; W188-L199 HydrophobicContact CZ2-CD1 3.51Å; W188-L199 HydrophobicContact CZ2-CD2 3.56Å; W188-L199 HydrophobicContact CZ2-CG 4.04Å; W188-L203 HydrophobicContact CD2-CD2 4.03Å; W188-L203 VanDerWaalsContact CE2-CD2 3.49Å; W188-L203 HydrophobicContact CG-CD2 4.26Å; W188-L203 HydrophobicContact CZ2-CD2 3.86Å
189	S	59.4	Low	75.7	Confident	21 Å²	21	55.3 Å²	55.3	15%	0.147	29%	0.29	C	S	.	.	S	Bend	trans	-105.1	154.5	-166.7	50	0	0	0	0	111.6	R191 P193	S189-R191 WeakPolarHBondContact CB-O 3.2Å; S189-R191 PolarHBondContact O-N 3.27Å; S189-R191 VanDerWaalsContact O-N 3.1Å; S189-R191 PolarHBondContact OG-O 3.13Å; S189-P193 WeakPolarHBondContact OG-CD 3.49Å
190	E	56	Low	74.7	Confident	91 Å²	91	58.8 Å²	58.8	43%	0.425	31%	0.313	S	S	.	.	S	Bend	trans	-59.1	-19.5	173.1	-57.9	125.4	-146.4	0	0	112.8	R224 A226	E190-R224 WeakPolarHBondContact CB-O 3.49Å; E190-R224 HydrophobicContact CG-CB 4.36Å; E190-R224 WeakPolarHBondContact CG-O 3.39Å; E190-A226 HydrophobicContact CG-CB 4.07Å; E190-A226 WeakPolarHBondContact OE1-CA 3.41Å; E190-A226 WeakPolarHBondContact OE2-CA 3.22Å; E190-A226 WeakPolarHBondContact OE2-CB 3.46Å
191	R	61.4	Low	73.6	Confident	162 Å²	162	62.2 Å²	62.2	61%	0.611	35%	0.346	S	S	*	.	S	Bend	trans	-152.2	153.2	173.6	67.4	-175.9	-171.6	120.1	8.4	110.1	S189 P193 E197	S189-R191 WeakPolarHBondContact CB-O 3.2Å; S189-R191 PolarHBondContact O-N 3.27Å; S189-R191 VanDerWaalsContact O-N 3.1Å; S189-R191 PolarHBondContact OG-O 3.13Å; R191-P193 WeakPolarHBondContact O-CD 3.15Å; R191-P193 VanDerWaalsContact O-N 3.16Å; R191-E197 IonicContact CZ-OE1 3.17Å; R191-E197 IonicContact CZ-OE2 2.76Å; R191-E197 IonicContact NE-OE1 2.76Å; R191-E197 IonicContact NH2-OE1 2.68Å; R191-E197 PolarHBondContact NH2-OE1 2.99Å; R191-E197 IonicContact NH2-OE2 2.87Å; R191-E197 PolarHBondContact NH2-OE2 3.42Å
192	V	56.6	Low	72.6	Confident	55 Å²	55	67.6 Å²	67.6	33%	0.333	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-55.3	120.2	173.1	-177.7	0	0	0	0	109.1	E165 L166 I172	E165-V192 HydrophobicContact CB-CG1 4.36Å; L166-V192 HydrophobicContact CD2-CB 4.34Å; L166-V192 HydrophobicContact CD2-CG1 3.94Å; L166-V192 HydrophobicContact CD2-CG2 3.4Å; L166-V192 VanDerWaalsContact CD2-CG2 3.4Å; L166-V192 HydrophobicContact CG-CG2 4.38Å; I172-V192 HydrophobicContact CD1-CG1 4.11Å
193	P	60	Low	71.9	Confident	16 Å²	16	67.8 Å²	67.8	10%	0.104	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-68.2	145.7	-179.8	-17.7	33.8	0	0	0	109.8	W188 S189 R191 E197 L199	W188-P193 HydrophobicContact CH2-CG 4.06Å; W188-P193 HydrophobicContact CZ2-CG 3.59Å; S189-P193 WeakPolarHBondContact OG-CD 3.49Å; R191-P193 WeakPolarHBondContact O-CD 3.15Å; R191-P193 VanDerWaalsContact O-N 3.16Å; P193-E197 VanDerWaalsContact CA-OE2 3.23Å; P193-E197 WeakPolarHBondContact CA-OE2 3.46Å; P193-E197 HydrophobicContact CB-CB 4.07Å; P193-E197 HydrophobicContact CB-CG 4.29Å; P193-L199 HydrophobicContact CB-CD2 3.45Å; P193-L199 VanDerWaalsContact CB-CD2 3.45Å; P193-L199 HydrophobicContact CG-CD2 3.59Å
194	G	59.3	Low	71.5	Confident	39 Å²	39	69.5 Å²	69.5	40%	0.402	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-61.2	157.5	170.5	0	0	0	0	0	111.4	D196 E197	G194-D196 PolarHBondContact O-N 3.31Å; G194-D196 VanDerWaalsContact O-N 3.13Å; G194-E197 PolarHBondContact N-OE2 2.81Å; G194-E197 WeakPolarHBondContact O-CB 3.36Å; G194-E197 PolarHBondContact O-N 3.03Å
195	V	58.1	Low	71.2	Confident	121 Å²	121	70.9 Å²	70.9	73%	0.733	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-34	179.1	-178	0	0	0	0	111.9
196	D	63.3	Low	71.1	Confident	162 Å²	162	75.2 Å²	75.2	87%	0.866	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	7.6	-178.6	-57.9	-45.8	0	0	0	113.8	G194	G194-D196 PolarHBondContact O-N 3.31Å; G194-D196 VanDerWaalsContact O-N 3.13Å
197	E	65.2	Low	71	Confident	77 Å²	77	75.5 Å²	75.5	36%	0.36	42%	0.422	S	S	.	.			trans	-77.5	127.2	-179.3	-172	166.9	-179.4	0	0	110.8	R191 P193 G194 L199	R191-E197 IonicContact CZ-OE1 3.17Å; R191-E197 IonicContact CZ-OE2 2.76Å; R191-E197 IonicContact NE-OE1 2.76Å; R191-E197 IonicContact NH2-OE1 2.68Å; R191-E197 PolarHBondContact NH2-OE1 2.99Å; R191-E197 IonicContact NH2-OE2 2.87Å; R191-E197 PolarHBondContact NH2-OE2 3.42Å; P193-E197 VanDerWaalsContact CA-OE2 3.23Å; P193-E197 WeakPolarHBondContact CA-OE2 3.46Å; P193-E197 HydrophobicContact CB-CB 4.07Å; P193-E197 HydrophobicContact CB-CG 4.29Å; G194-E197 PolarHBondContact N-OE2 2.81Å; G194-E197 WeakPolarHBondContact O-CB 3.36Å; G194-E197 PolarHBondContact O-N 3.03Å; E197-L199 PolarHBondContact O-N 2.92Å
198	M	65.3	Low	71.1	Confident	183 Å²	183	76.2 Å²	76.2	90%	0.901	43%	0.426	S	S	*	.			trans	-64.6	109.5	176.5	-98.8	-174.3	69	0	0	110.4
199	L	68.8	Low	72	Confident	48 Å²	48	74.9 Å²	74.9	25%	0.251	42%	0.421	S	S	.	.			trans	-75.9	147	176.6	-55.6	-176	0	0	0	110.9	H171 W188 P193 E197 A201 L203	H171-L199 VanDerWaalsContact CD2-CD1 3.43Å; H171-L199 WeakPolarHBondContact CD2-CD1 3.49Å; W188-L199 HydrophobicContact CH2-CD1 3.96Å; W188-L199 HydrophobicContact CH2-CD2 4.48Å; W188-L199 HydrophobicContact CZ2-CD1 3.51Å; W188-L199 HydrophobicContact CZ2-CD2 3.56Å; W188-L199 HydrophobicContact CZ2-CG 4.04Å; P193-L199 HydrophobicContact CB-CD2 3.45Å; P193-L199 VanDerWaalsContact CB-CD2 3.45Å; P193-L199 HydrophobicContact CG-CD2 3.59Å; E197-L199 PolarHBondContact O-N 2.92Å; L199-A201 PolarHBondContact O-N 3.5Å; L199-L203 HydrophobicContact CB-CD2 4.01Å; L199-L203 HydrophobicContact CD1-CD1 4.39Å; L199-L203 HydrophobicContact CD1-CD2 4.33Å
200	P	69.6	Low	73.5	Confident	78 Å²	78	74.8 Å²	74.8	51%	0.506	42%	0.42	S	S	.	.			trans	-57.9	130.1	169	23.6	-30.9	0	0	0	109.3	P202 L203	P200-P202 CarbonylContact O-C 3.53Å; P200-P202 VanDerWaalsContact O-C 3.28Å; P200-L203 HydrophobicContact CG-CD2 4.25Å; P200-L203 WeakPolarHBondContact O-CD2 3.48Å; P200-L203 PolarHBondContact O-N 3.32Å
201	A	67.3	Low	75.3	Confident	100 Å²	100	70.6 Å²	70.6	83%	0.826	40%	0.401	S	S	*	.	S	Bend	trans	-116.9	122.9	177.8	0	0	0	0	0	109.3	L199	L199-A201 PolarHBondContact O-N 3.5Å
202	P	73.6	Confident	77	Confident	125 Å²	125	64.1 Å²	64.1	81%	0.812	38%	0.379	S	S	*	.	S	Bend	cis	-72.6	152.2	-3.4	32	-34.5	0	0	0	112.2	P200	P200-P202 CarbonylContact O-C 3.53Å; P200-P202 VanDerWaalsContact O-C 3.28Å
203	L	80	Confident	78.8	Confident	41 Å²	41	61.6 Å²	61.6	22%	0.215	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-63	148.2	169.1	-75.3	174.6	0	0	0	110	H171 W188 L199 P200	H171-L203 HydrophobicContact CB-CD1 4.08Å; H171-L203 VanDerWaalsContact ND1-CD1 3.25Å; H171-L203 WeakPolarHBondContact ND1-CD1 3.47Å; W188-L203 HydrophobicContact CD2-CD2 4.03Å; W188-L203 VanDerWaalsContact CE2-CD2 3.49Å; W188-L203 HydrophobicContact CG-CD2 4.26Å; W188-L203 HydrophobicContact CZ2-CD2 3.86Å; L199-L203 HydrophobicContact CB-CD2 4.01Å; L199-L203 HydrophobicContact CD1-CD1 4.39Å; L199-L203 HydrophobicContact CD1-CD2 4.33Å; P200-L203 HydrophobicContact CG-CD2 4.25Å; P200-L203 WeakPolarHBondContact O-CD2 3.48Å; P200-L203 PolarHBondContact O-N 3.32Å
204	P	85.9	Confident	80.4	Confident	35 Å²	35	61.5 Å²	61.5	23%	0.227	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-55.7	141.9	174.7	-23.4	32.7	0	0	0	111.4	Y206 R207	P204-Y206 HydrophobicContact CB-CD1 3.86Å; P204-Y206 HydrophobicContact CB-CD2 4.47Å; P204-Y206 HydrophobicContact CB-CE1 3.52Å; P204-Y206 HydrophobicContact CB-CE2 4.17Å; P204-Y206 HydrophobicContact CB-CG 4.32Å; P204-Y206 PolarHBondContact O-N 3.08Å; P204-R207 PolarHBondContact O-NH1 3.3Å
205	P	90.5	Very high	82	Confident	90 Å²	90	63 Å²	63	58%	0.584	36%	0.355	S	S	*	.	S	Bend	trans	-76.2	33.5	179.9	34	-37.1	0	0	0	112.2	L106	L106-P205 PolarHBondContact N-O 2.9Å
206	Y	91.8	Very high	83.6	Confident	101 Å²	101	57.9 Å²	57.9	40%	0.396	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	161.8	179.1	60.4	-95.9	0	0	0	112.2	H103 L104 P204 V208	H103-Y206 AromaticContact CE1-CD2 3.79Å; H103-Y206 AromaticContact CE1-CG 3.88Å; H103-Y206 WeakPolarHBondContact NE2-CB 3.45Å; H103-Y206 AromaticContact NE2-CG 3.84Å; L104-Y206 CarbonylContact O-C 3.49Å; L104-Y206 WeakPolarHBondContact O-CA 3.28Å; L104-Y206 WeakPolarHBondContact O-CB 3.39Å; P204-Y206 HydrophobicContact CB-CD1 3.86Å; P204-Y206 HydrophobicContact CB-CD2 4.47Å; P204-Y206 HydrophobicContact CB-CE1 3.52Å; P204-Y206 HydrophobicContact CB-CE2 4.17Å; P204-Y206 HydrophobicContact CB-CG 4.32Å; P204-Y206 PolarHBondContact O-N 3.08Å; Y206-V208 HydrophobicContact CD2-CG1 4.07Å; Y206-V208 HydrophobicContact CE2-CG1 4.22Å
207	R	92.7	Very high	84.9	Confident	7 Å²	7	52 Å²	52	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.9	166.6	-55.9	-67	177.6	-89.7	1.7	110.3	H103 L104 L106 H171 Y173 L186 G187 P204	H103-R207 CarbonylContact C-O 3.58Å; H103-R207 WeakPolarHBondContact CA-O 3.47Å; L104-R207 HydrophobicContact CB-CB 4.11Å; L104-R207 HydrophobicContact CD2-CG 4.43Å; L104-R207 PolarHBondContact N-O 3.48Å; L104-R207 PolarHBondContact O-N 2.9Å; L106-R207 HydrophobicContact CD1-CG 4Å; H171-R207 PolarHBondContact O-NE 2.53Å; H171-R207 PolarHBondContact O-NH2 2.8Å; Y173-R207 HydrophobicContact CD2-CG 4.04Å; L186-R207 HydrophobicContact CB-CB 3.88Å; G187-R207 VanDerWaalsContact C-CD 3.45Å; G187-R207 CarbonylContact O-C 3.55Å; G187-R207 WeakPolarHBondContact O-CA 3.43Å; G187-R207 WeakPolarHBondContact O-CB 3.41Å; G187-R207 WeakPolarHBondContact O-CD 3.2Å; P204-R207 PolarHBondContact O-NH1 3.3Å
208	V	92.6	Very high	86.1	Confident	17 Å²	17	50.1 Å²	50.1	10%	0.103	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	153.9	179.3	-64.4	0	0	0	0	109.4	L186 G187 Y206 T210	L186-V208 CarbonylContact C-O 3.26Å; L186-V208 WeakPolarHBondContact CA-O 3.38Å; G187-V208 PolarHBondContact N-O 3.1Å; G187-V208 PolarHBondContact O-N 2.88Å; Y206-V208 HydrophobicContact CD2-CG1 4.07Å; Y206-V208 HydrophobicContact CE2-CG1 4.22Å; V208-T210 HydrophobicContact CG2-CG2 4.41Å; V208-T210 PolarHBondContact O-N 3.05Å
209	L	93.7	Very high	87.5	Confident	3 Å²	3	44 Å²	44	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	121.5	172.2	-164.9	73.9	0	0	0	110.3	P99 I102 W184 I185 L186 F222 R224	P99-L209 WeakPolarHBondContact O-CD2 3.28Å; I102-L209 HydrophobicContact CB-CB 4.42Å; I102-L209 PolarHBondContact O-N 2.89Å; I102-L209 VanDerWaalsContact O-N 3.11Å; W184-L209 HydrophobicContact CB-CD1 3.68Å; W184-L209 HydrophobicContact CG-CD1 4.28Å; I185-L209 WeakPolarHBondContact O-CA 3.5Å; L186-L209 HydrophobicContact CD2-CB 4.3Å; L186-L209 HydrophobicContact CD2-CD1 4.03Å; L209-F222 HydrophobicContact CD2-CD2 4.25Å; L209-F222 HydrophobicContact CD2-CE2 3.66Å; L209-F222 HydrophobicContact CD2-CZ 4.41Å; L209-F222 HydrophobicContact CG-CD2 4.32Å; L209-F222 HydrophobicContact CG-CE2 4.17Å; L209-R224 PolarHBondContact O-NH2 2.78Å
210	T	92.8	Very high	88.8	Confident	20 Å²	20	42 Å²	42	12%	0.123	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-18.5	176.7	57.5	0	0	0	0	112.3	I185 V208 F222	I185-T210 WeakPolarHBondContact CG2-OG1 3.45Å; I185-T210 PolarHBondContact O-N 3.28Å; I185-T210 PolarHBondContact O-OG1 2.71Å; V208-T210 HydrophobicContact CG2-CG2 4.41Å; V208-T210 PolarHBondContact O-N 3.05Å; T210-F222 PolarHBondContact O-N 3.4Å
211	G	93.6	Very high	90	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.1	-179.5	174.6	0	0	0	0	0	114.9	I185 L220	I185-G211 PolarHBondContact N-O 2.86Å; G211-L220 CarbonylContact C-O 3.24Å; G211-L220 WeakPolarHBondContact CA-O 3.44Å
212	L	95.5	Very high	91.2	Very high	26 Å²	26	37.2 Å²	37.2	14%	0.136	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145.8	169.8	-50.9	179.2	0	0	0	110.2	L70 P182 W183 W184 T219 L220	L70-L212 HydrophobicContact CD1-CB 4.47Å; L70-L212 HydrophobicContact CD2-CB 4.36Å; L70-L212 HydrophobicContact CD2-CD1 4.34Å; P182-L212 HydrophobicContact CB-CB 4.39Å; W183-L212 CarbonylContact O-C 3.21Å; W183-L212 WeakPolarHBondContact O-CA 3.27Å; W184-L212 HydrophobicContact CG-CD2 4.08Å; L212-T219 CarbonylContact O-C 3.49Å; L212-T219 VanDerWaalsContact O-CA 3.25Å; L212-T219 WeakPolarHBondContact O-CA 3.22Å; L212-L220 HydrophobicContact CB-CB 4.09Å; L212-L220 HydrophobicContact CD1-CB 4.4Å; L212-L220 HydrophobicContact CD1-CD2 3.63Å; L212-L220 HydrophobicContact CG-CB 4.27Å; L212-L220 HydrophobicContact CG-CD2 4Å; L212-L220 PolarHBondContact N-O 2.76Å; L212-L220 PolarHBondContact O-N 3.36Å
213	V	95	Very high	92.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.7	167.6	178.3	0	0	0	0	108.7	L162 L166 P182 W183 I185 R218 T219	L162-V213 HydrophobicContact CD2-CB 3.91Å; L162-V213 HydrophobicContact CD2-CG1 4.11Å; L162-V213 HydrophobicContact CD2-CG2 4.16Å; L166-V213 HydrophobicContact CD1-CG2 4.37Å; P182-V213 CarbonylContact C-O 3.51Å; P182-V213 VanDerWaalsContact CA-O 3.31Å; P182-V213 WeakPolarHBondContact CA-O 3.38Å; P182-V213 WeakPolarHBondContact CB-O 3.48Å; W183-V213 PolarHBondContact N-O 3.11Å; W183-V213 PolarHBondContact O-N 3.02Å; I185-V213 HydrophobicContact CD1-CG2 3.53Å; I185-V213 HydrophobicContact CG1-CG2 4.44Å; V213-R218 WeakPolarHBondContact CA-O 3.01Å; V213-T219 HydrophobicContact CG2-CG2 3.91Å
214	D	94.5	Very high	92.6	Very high	13 Å²	13	35.9 Å²	35.9	7%	0.07	19%	0.187	C	C	.	.			trans	-87.9	176.4	173.6	69.8	18.5	0	0	0	112.1	L70 P182 F216 G217 R218	L70-D214 HydrophobicContact CD1-CB 3.93Å; L70-D214 HydrophobicContact CD2-CB 4.18Å; L70-D214 HydrophobicContact CG-CB 4.17Å; P182-D214 HydrophobicContact CB-CB 4.47Å; D214-F216 PolarHBondContact O-N 3.02Å; D214-F216 VanDerWaalsContact O-N 3.13Å; D214-F216 WeakPolarHBondContact OD1-CA 3.41Å; D214-F216 WeakPolarHBondContact OD1-CB 3.43Å; D214-F216 PolarHBondContact OD1-N 3.08Å; D214-G217 PolarHBondContact O-N 2.9Å; D214-G217 VanDerWaalsContact O-N 3.12Å; D214-G217 PolarHBondContact OD1-N 3.1Å; D214-R218 PolarHBondContact N-O 2.74Å; D214-R218 VanDerWaalsContact N-O 3.15Å; D214-R218 PolarHBondContact OD1-N 3.3Å; D214-R218 IonicContact OD1-NE 2.76Å; D214-R218 IonicContact OD2-CZ 3.34Å; D214-R218 IonicContact OD2-NE 2.71Å; D214-R218 PolarHBondContact OD2-NE 3.26Å; D214-R218 IonicContact OD2-NH2 3.34Å; D214-R218 PolarHBondContact OD2-NH2 2.88Å
215	R	92.8	Very high	92.8	Very high	70 Å²	70	37.8 Å²	37.8	26%	0.264	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-7.1	179.7	71	-168.2	-167.2	-126.9	5.9	114.9	L158 Y492 G493	L158-R215 HydrophobicContact CD1-CB 3.68Å; R215-Y492 WeakPolarHBondContact CD-O 3.3Å; R215-Y492 PolarHBondContact NE-O 2.5Å; R215-G493 PolarHBondContact NH2-O 2.83Å
216	F	92.1	Very high	92.4	Very high	14 Å²	14	35.7 Å²	35.7	6%	0.061	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	4.6	176.6	-57.1	-74.2	0	0	0	111.9	D214 R218 R494 H514 E516	D214-F216 PolarHBondContact O-N 3.02Å; D214-F216 VanDerWaalsContact O-N 3.13Å; D214-F216 WeakPolarHBondContact OD1-CA 3.41Å; D214-F216 WeakPolarHBondContact OD1-CB 3.43Å; D214-F216 PolarHBondContact OD1-N 3.08Å; F216-R218 VanDerWaalsContact C-N 3.25Å; F216-R218 HydrophobicContact CB-CG 4.4Å; F216-R218 PolarHBondContact O-N 2.66Å; F216-R494 HydrophobicContact CE1-CG 4.07Å; F216-R494 HydrophobicContact CZ-CG 3.86Å; F216-H514 PolarHBondContact O-CD2 3.25Å; F216-E516 HydrophobicContact CE2-CB 3.7Å; F216-E516 HydrophobicContact CZ-CB 3.77Å
217	G	89.1	Confident	92	Very high	38 Å²	38	34.3 Å²	34.3	39%	0.392	19%	0.192	S	C	.	.	S	Bend	trans	77.4	6.9	-179.5	0	0	0	0	0	114.1	D214	D214-G217 PolarHBondContact O-N 2.9Å; D214-G217 VanDerWaalsContact O-N 3.12Å; D214-G217 PolarHBondContact OD1-N 3.1Å
218	R	91.9	Very high	91.8	Very high	38 Å²	38	36.8 Å²	36.8	14%	0.143	22%	0.22	C	C	.	.			trans	-73.7	149.6	174.2	-57.3	174.7	-60	-166.5	7.9	108.6	P69 L70 V213 D214 F216 H514 E516	P69-R218 VanDerWaalsContact CB-NH1 3.33Å; L70-R218 HydrophobicContact CD1-CB 4.17Å; L70-R218 WeakPolarHBondContact CD1-O 3.4Å; V213-R218 WeakPolarHBondContact CA-O 3.01Å; D214-R218 PolarHBondContact N-O 2.74Å; D214-R218 VanDerWaalsContact N-O 3.15Å; D214-R218 PolarHBondContact OD1-N 3.3Å; D214-R218 IonicContact OD1-NE 2.76Å; D214-R218 IonicContact OD2-CZ 3.34Å; D214-R218 IonicContact OD2-NE 2.71Å; D214-R218 PolarHBondContact OD2-NE 3.26Å; D214-R218 IonicContact OD2-NH2 3.34Å; D214-R218 PolarHBondContact OD2-NH2 2.88Å; F216-R218 VanDerWaalsContact C-N 3.25Å; F216-R218 HydrophobicContact CB-CG 4.4Å; F216-R218 PolarHBondContact O-N 2.66Å; R218-H514 PolarHBondContact NH1-O 2.96Å; R218-E516 IonicContact CZ-OE1 3.08Å; R218-E516 IonicContact CZ-OE2 2.82Å; R218-E516 VanDerWaalsContact CZ-OE2 3.26Å; R218-E516 IonicContact NH1-OE1 2.75Å; R218-E516 IonicContact NH1-OE2 3.95Å; R218-E516 PolarHBondContact NH1-OE2 2.57Å; R218-E516 VanDerWaalsContact NH2-CD 3.27Å; R218-E516 IonicContact NH2-OE1 3.16Å; R218-E516 PolarHBondContact NH2-OE1 2.77Å; R218-E516 IonicContact NH2-OE2 3.7Å; R218-E516 PolarHBondContact NH2-OE2 3.17Å
219	T	93.7	Very high	91.7	Very high	55 Å²	55	42.6 Å²	42.6	34%	0.337	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.4	-172.8	74.2	0	0	0	0	112.7	L212 V213 D239 G240	L212-T219 CarbonylContact O-C 3.49Å; L212-T219 VanDerWaalsContact O-CA 3.25Å; L212-T219 WeakPolarHBondContact O-CA 3.22Å; V213-T219 HydrophobicContact CG2-CG2 3.91Å; T219-D239 CarbonylContact O-C 3.54Å; T219-G240 WeakPolarHBondContact O-CA 3.13Å; T219-G240 PolarHBondContact O-N 3.4Å
220	L	95.7	Very high	91.6	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.2	162.5	171.2	72.1	0	0	0	106.5	L70 F72 G211 L212 F222 V237 T238 D239	L70-L220 HydrophobicContact CB-CB 4.21Å; F72-L220 HydrophobicContact CB-CD1 3.92Å; G211-L220 CarbonylContact C-O 3.24Å; G211-L220 WeakPolarHBondContact CA-O 3.44Å; L212-L220 HydrophobicContact CB-CB 4.09Å; L212-L220 HydrophobicContact CD1-CB 4.4Å; L212-L220 HydrophobicContact CD1-CD2 3.63Å; L212-L220 HydrophobicContact CG-CB 4.27Å; L212-L220 HydrophobicContact CG-CD2 4Å; L212-L220 PolarHBondContact N-O 2.76Å; L212-L220 PolarHBondContact O-N 3.36Å; L220-F222 HydrophobicContact CD2-CE2 4.16Å; L220-F222 HydrophobicContact CD2-CZ 3.76Å; L220-F222 HydrophobicContact CG-CE2 4.39Å; L220-F222 HydrophobicContact CG-CZ 4.22Å; L220-V237 HydrophobicContact CD1-CG1 3.5Å; L220-V237 HydrophobicContact CG-CG1 4.42Å; L220-T238 CarbonylContact C-O 3.57Å; L220-T238 WeakPolarHBondContact CA-O 3.48Å; L220-D239 HydrophobicContact CD1-CB 3.92Å
221	T	94.6	Very high	91.4	Very high	63 Å²	63	47.6 Å²	47.6	39%	0.387	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.7	-174.2	-58.1	0	0	0	0	111.1	V237 T238	T221-V237 CarbonylContact O-C 3.6Å; T221-V237 VanDerWaalsContact O-CA 3.31Å; T221-V237 WeakPolarHBondContact O-CA 3.36Å; T221-T238 PolarHBondContact N-O 3.25Å; T221-T238 PolarHBondContact O-N 2.96Å
222	F	93.5	Very high	91.1	Very high	13 Å²	13	49 Å²	49	6%	0.057	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	111.3	171.8	-59.7	-77.5	0	0	0	109.3	F72 L209 T210 L220 I234 V237	F72-F222 HydrophobicContact CD2-CE1 4.35Å; F72-F222 HydrophobicContact CE2-CE1 4.16Å; L209-F222 HydrophobicContact CD2-CD2 4.25Å; L209-F222 HydrophobicContact CD2-CE2 3.66Å; L209-F222 HydrophobicContact CD2-CZ 4.41Å; L209-F222 HydrophobicContact CG-CD2 4.32Å; L209-F222 HydrophobicContact CG-CE2 4.17Å; T210-F222 PolarHBondContact O-N 3.4Å; L220-F222 HydrophobicContact CD2-CE2 4.16Å; L220-F222 HydrophobicContact CD2-CZ 3.76Å; L220-F222 HydrophobicContact CG-CE2 4.39Å; L220-F222 HydrophobicContact CG-CZ 4.22Å; F222-I234 HydrophobicContact CB-CD1 4.09Å; F222-I234 HydrophobicContact CB-CG1 4.33Å; F222-I234 HydrophobicContact CB-CG2 4.26Å; F222-I234 HydrophobicContact CD1-CD1 3.95Å; F222-I234 HydrophobicContact CD1-CG2 4.21Å; F222-I234 HydrophobicContact CG-CD1 4.16Å; F222-V237 HydrophobicContact CD1-CG1 4.22Å; F222-V237 HydrophobicContact CD1-CG2 3.64Å; F222-V237 HydrophobicContact CE1-CG1 4.22Å; F222-V237 HydrophobicContact CE1-CG2 4.06Å
223	R	92	Very high	90.9	Very high	113 Å²	113	49 Å²	49	43%	0.426	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.6	174.8	-173	-174.8	-59	110.7	2.5	109.5	I234 T235 G236	R223-I234 WeakPolarHBondContact O-CA 3.21Å; R223-T235 PolarHBondContact O-N 2.69Å; R223-G236 PolarHBondContact N-O 2.82Å; R223-G236 PolarHBondContact O-N 2.8Å
224	R	90.9	Very high	90.8	Very high	26 Å²	26	49.2 Å²	49.2	10%	0.098	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	149.1	174	-67.8	173.8	179.7	-80.9	-2.6	110.7	E190 L209 G232 E233 I234	E190-R224 WeakPolarHBondContact CB-O 3.49Å; E190-R224 HydrophobicContact CG-CB 4.36Å; E190-R224 WeakPolarHBondContact CG-O 3.39Å; L209-R224 PolarHBondContact O-NH2 2.78Å; R224-G232 VanDerWaalsContact CD-O 3.24Å; R224-G232 WeakPolarHBondContact CD-O 3.41Å; R224-G232 PolarHBondContact NH1-O 2.93Å; R224-E233 CarbonylContact C-O 3.51Å; R224-E233 WeakPolarHBondContact CA-O 3.47Å; R224-I234 HydrophobicContact CG-CG1 4Å
225	E	89.3	Confident	90.9	Very high	74 Å²	74	49.7 Å²	49.7	35%	0.346	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-72	140	177.4	-170.5	56.3	-110.4	0	0	110.9	A227 F230 T231 G232 E233 T235	E225-A227 WeakPolarHBondContact CG-O 3.45Å; E225-F230 HydrophobicContact CB-CB 4.17Å; E225-F230 WeakPolarHBondContact CB-O 3.35Å; E225-F230 HydrophobicContact CG-CB 4.24Å; E225-T231 WeakPolarHBondContact O-CA 3.25Å; E225-G232 PolarHBondContact O-N 2.97Å; E225-E233 PolarHBondContact N-O 2.81Å; E225-T235 HydrophobicContact CB-CG2 3.88Å
226	A	82.8	Confident	91	Very high	46 Å²	46	46.4 Å²	46.4	38%	0.38	28%	0.279	S	S	.	.			trans	-85.7	-45.7	-171.6	0	0	0	0	0	114	E190 T231	E190-A226 HydrophobicContact CG-CB 4.07Å; E190-A226 WeakPolarHBondContact OE1-CA 3.41Å; E190-A226 WeakPolarHBondContact OE2-CA 3.22Å; E190-A226 WeakPolarHBondContact OE2-CB 3.46Å; A226-T231 WeakPolarHBondContact O-CG2 3.44Å; A226-T231 PolarHBondContact O-OG1 3.17Å
227	A	83.7	Confident	91.3	Very high	72 Å²	72	45.8 Å²	45.8	60%	0.595	28%	0.276	S	S	*	.	S	Bend	trans	-139.8	158.5	-172.9	0	0	0	0	0	109.8	E225 T231	E225-A227 WeakPolarHBondContact CG-O 3.45Å; A227-T231 WeakPolarHBondContact CA-OG1 3.3Å; A227-T231 PolarHBondContact N-OG1 2.77Å
228	G	88.6	Confident	91.7	Very high	59 Å²	59	45.4 Å²	45.4	61%	0.608	27%	0.266	S	S	*	.	S	Bend	trans	93.1	-163.7	178	0	0	0	0	0	113.5	F230 T231	G228-F230 PolarHBondContact O-N 3Å; G228-F230 VanDerWaalsContact O-N 3.13Å; G228-T231 PolarHBondContact N-OG1 2.95Å; G228-T231 PolarHBondContact O-N 3.34Å; G228-T231 PolarHBondContact O-OG1 3.02Å
229	E	89.7	Confident	91.9	Very high	140 Å²	140	43.7 Å²	43.7	65%	0.654	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.1	-168.5	-59.7	-173.9	148.6	0	0	114.1	T251	E229-T251 HydrophobicContact CB-CG2 4.17Å
230	F	92.6	Very high	92	Very high	51 Å²	51	42 Å²	42	22%	0.224	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	12.6	-179.2	-54.5	-56.6	0	0	0	113.6	E225 G228 G232 E233 T235 L249 T251 I289	E225-F230 HydrophobicContact CB-CB 4.17Å; E225-F230 WeakPolarHBondContact CB-O 3.35Å; E225-F230 HydrophobicContact CG-CB 4.24Å; G228-F230 PolarHBondContact O-N 3Å; G228-F230 VanDerWaalsContact O-N 3.13Å; F230-G232 PolarHBondContact O-N 2.99Å; F230-E233 HydrophobicContact CB-CB 4.46Å; F230-E233 VanDerWaalsContact O-CB 3.26Å; F230-E233 WeakPolarHBondContact O-CB 3.32Å; F230-E233 PolarHBondContact O-N 2.95Å; F230-T235 HydrophobicContact CB-CG2 4.41Å; F230-L249 HydrophobicContact CB-CD1 4.35Å; F230-L249 HydrophobicContact CD1-CB 3.83Å; F230-L249 HydrophobicContact CD1-CD1 4.27Å; F230-L249 HydrophobicContact CE1-CB 3.76Å; F230-L249 HydrophobicContact CG-CB 4.29Å; F230-L249 HydrophobicContact CG-CD1 4.36Å; F230-L249 HydrophobicContact CZ-CB 4.16Å; F230-L249 WeakPolarHBondContact CZ-O 3.35Å; F230-T251 HydrophobicContact CD1-CG2 4.42Å; F230-T251 HydrophobicContact CE1-CG2 3.68Å; F230-T251 HydrophobicContact CZ-CG2 4.24Å; F230-I289 HydrophobicContact CD1-CD1 4.15Å; F230-I289 HydrophobicContact CD1-CG1 4.38Å; F230-I289 HydrophobicContact CD1-CG2 3.9Å; F230-I289 HydrophobicContact CE1-CG2 4.19Å
231	T	88.3	Confident	92	Very high	77 Å²	77	42 Å²	42	47%	0.472	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-46.6	126.8	-178.7	-71.7	0	0	0	0	112.3	E225 A226 A227 G228 E233	E225-T231 WeakPolarHBondContact O-CA 3.25Å; A226-T231 WeakPolarHBondContact O-CG2 3.44Å; A226-T231 PolarHBondContact O-OG1 3.17Å; A227-T231 WeakPolarHBondContact CA-OG1 3.3Å; A227-T231 PolarHBondContact N-OG1 2.77Å; G228-T231 PolarHBondContact N-OG1 2.95Å; G228-T231 PolarHBondContact O-N 3.34Å; G228-T231 PolarHBondContact O-OG1 3.02Å; T231-E233 VanDerWaalsContact C-N 3.31Å; T231-E233 PolarHBondContact O-N 2.85Å
232	G	86.9	Confident	92	Very high	32 Å²	32	40.2 Å²	40.2	33%	0.33	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	-7.9	-179.5	0	0	0	0	0	115	R224 E225 F230	R224-G232 VanDerWaalsContact CD-O 3.24Å; R224-G232 WeakPolarHBondContact CD-O 3.41Å; R224-G232 PolarHBondContact NH1-O 2.93Å; E225-G232 PolarHBondContact O-N 2.97Å; F230-G232 PolarHBondContact O-N 2.99Å
233	E	92	Very high	92.2	Very high	27 Å²	27	39.8 Å²	39.8	13%	0.126	25%	0.247	C	C	.	.	S	Bend	trans	-88.3	150.5	177.8	-62.3	-61.5	157.8	0	0	112.6	R224 E225 F230 T231 T235 L249 N287 I289	R224-E233 CarbonylContact C-O 3.51Å; R224-E233 WeakPolarHBondContact CA-O 3.47Å; E225-E233 PolarHBondContact N-O 2.81Å; F230-E233 HydrophobicContact CB-CB 4.46Å; F230-E233 VanDerWaalsContact O-CB 3.26Å; F230-E233 WeakPolarHBondContact O-CB 3.32Å; F230-E233 PolarHBondContact O-N 2.95Å; T231-E233 VanDerWaalsContact C-N 3.31Å; T231-E233 PolarHBondContact O-N 2.85Å; E233-T235 PolarHBondContact O-N 3.48Å; E233-L249 HydrophobicContact CB-CD1 3.47Å; E233-L249 VanDerWaalsContact CB-CD1 3.47Å; E233-L249 HydrophobicContact CG-CD1 4.29Å; E233-N287 PolarHBondContact OE1-ND2 3.25Å; E233-I289 HydrophobicContact CG-CB 4.5Å; E233-I289 HydrophobicContact CG-CD1 3.7Å; E233-I289 HydrophobicContact CG-CG2 4.15Å
234	I	93.3	Very high	92.5	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	111.1	179.1	-55.9	172.8	0	0	0	109.3	F222 R223 R224 V237 L247	F222-I234 HydrophobicContact CB-CD1 4.09Å; F222-I234 HydrophobicContact CB-CG1 4.33Å; F222-I234 HydrophobicContact CB-CG2 4.26Å; F222-I234 HydrophobicContact CD1-CD1 3.95Å; F222-I234 HydrophobicContact CD1-CG2 4.21Å; F222-I234 HydrophobicContact CG-CD1 4.16Å; R223-I234 WeakPolarHBondContact O-CA 3.21Å; R224-I234 HydrophobicContact CG-CG1 4Å; I234-V237 HydrophobicContact CG2-CG2 4.01Å; I234-L247 HydrophobicContact CB-CD2 4.4Å; I234-L247 HydrophobicContact CG2-CD2 4.02Å; I234-L247 WeakPolarHBondContact O-CB 3.29Å
235	T	95.2	Very high	92.9	Very high	24 Å²	24	36.7 Å²	36.7	15%	0.147	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	-13	176.5	55.2	0	0	0	0	112.7	R223 E225 F230 E233 L247 L249	R223-T235 PolarHBondContact O-N 2.69Å; E225-T235 HydrophobicContact CB-CG2 3.88Å; F230-T235 HydrophobicContact CB-CG2 4.41Å; E233-T235 PolarHBondContact O-N 3.48Å; T235-L247 PolarHBondContact O-N 3.38Å; T235-L249 HydrophobicContact CG2-CD1 3.87Å; T235-L249 HydrophobicContact CG2-CG 4.43Å
236	G	95.6	Very high	93.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	157.2	173.7	0	0	0	0	0	114.4	R223 F245	R223-G236 PolarHBondContact N-O 2.82Å; R223-G236 PolarHBondContact O-N 2.8Å; G236-F245 CarbonylContact C-O 3.48Å; G236-F245 WeakPolarHBondContact CA-O 3.19Å
237	V	97.1	Very high	94	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	138.6	176.7	-176.8	0	0	0	0	109.2	F72 L220 T221 F222 I234 Q244 F245 L247	F72-V237 HydrophobicContact CB-CG1 3.95Å; F72-V237 HydrophobicContact CD1-CB 3.93Å; F72-V237 HydrophobicContact CD1-CG1 3.94Å; F72-V237 HydrophobicContact CD1-CG2 4.22Å; F72-V237 HydrophobicContact CD2-CG1 3.96Å; F72-V237 HydrophobicContact CD2-CG2 4.46Å; F72-V237 HydrophobicContact CE1-CB 4.08Å; F72-V237 HydrophobicContact CE1-CG1 4.44Å; F72-V237 HydrophobicContact CE1-CG2 3.89Å; F72-V237 HydrophobicContact CE2-CG1 4.48Å; F72-V237 HydrophobicContact CE2-CG2 4.17Å; F72-V237 HydrophobicContact CG-CB 4.19Å; F72-V237 HydrophobicContact CG-CG1 3.68Å; F72-V237 HydrophobicContact CG-CG2 4.5Å; F72-V237 HydrophobicContact CZ-CB 4.49Å; F72-V237 HydrophobicContact CZ-CG2 3.88Å; L220-V237 HydrophobicContact CD1-CG1 3.5Å; L220-V237 HydrophobicContact CG-CG1 4.42Å; T221-V237 CarbonylContact O-C 3.6Å; T221-V237 VanDerWaalsContact O-CA 3.31Å; T221-V237 WeakPolarHBondContact O-CA 3.36Å; F222-V237 HydrophobicContact CD1-CG1 4.22Å; F222-V237 HydrophobicContact CD1-CG2 3.64Å; F222-V237 HydrophobicContact CE1-CG1 4.22Å; F222-V237 HydrophobicContact CE1-CG2 4.06Å; I234-V237 HydrophobicContact CG2-CG2 4.01Å; V237-Q244 CarbonylContact O-C 3.54Å; V237-Q244 WeakPolarHBondContact O-CA 3.33Å; V237-F245 HydrophobicContact CB-CB 4.33Å; V237-F245 HydrophobicContact CB-CD2 4.37Å; V237-F245 PolarHBondContact N-O 3.04Å; V237-F245 WeakPolarHBondContact O-CD2 3.49Å; V237-F245 PolarHBondContact O-N 2.81Å; V237-L247 HydrophobicContact CG2-CD1 3.79Å
238	T	97.5	Very high	94.7	Very high	30 Å²	30	37.6 Å²	37.6	18%	0.184	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.9	167.4	-56.7	0	0	0	0	108.3	L220 T221 R243 Q244	L220-T238 CarbonylContact C-O 3.57Å; L220-T238 WeakPolarHBondContact CA-O 3.48Å; T221-T238 PolarHBondContact N-O 3.25Å; T221-T238 PolarHBondContact O-N 2.96Å; T238-R243 VanDerWaalsContact CA-O 3.27Å; T238-R243 WeakPolarHBondContact CA-O 3.22Å; T238-Q244 HydrophobicContact CG2-CG 4.33Å
239	D	97.2	Very high	95.2	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	19%	0.193	C	C	.	.			trans	-82.9	174.7	-179.9	73	10.8	0	0	0	113.7	F72 T219 L220 A241 G242 R243 F245	F72-D239 HydrophobicContact CB-CB 4.23Å; T219-D239 CarbonylContact O-C 3.54Å; L220-D239 HydrophobicContact CD1-CB 3.92Å; D239-A241 PolarHBondContact O-N 2.87Å; D239-A241 VanDerWaalsContact O-N 3.1Å; D239-A241 VanDerWaalsContact OD1-C 3.3Å; D239-A241 WeakPolarHBondContact OD1-CA 3.4Å; D239-A241 WeakPolarHBondContact OD1-CB 3.34Å; D239-A241 PolarHBondContact OD1-N 2.89Å; D239-G242 PolarHBondContact O-N 3.09Å; D239-G242 PolarHBondContact OD1-N 2.69Å; D239-G242 VanDerWaalsContact OD1-N 3.08Å; D239-R243 PolarHBondContact N-O 3.38Å; D239-R243 WeakPolarHBondContact OD1-CB 3.47Å; D239-R243 PolarHBondContact OD1-N 3.29Å; D239-R243 IonicContact OD1-NE 2.69Å; D239-R243 IonicContact OD2-CZ 3.12Å; D239-R243 IonicContact OD2-NE 2.73Å; D239-R243 PolarHBondContact OD2-NE 2.88Å; D239-R243 IonicContact OD2-NH2 2.69Å; D239-R243 PolarHBondContact OD2-NH2 3.2Å; D239-F245 HydrophobicContact CB-CE2 4.11Å
240	G	95.2	Very high	95.6	Very high	20 Å²	20	29.7 Å²	29.7	21%	0.206	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-10.7	-179.7	0	0	0	0	0	114.4	P69 L70 T219	P69-G240 CarbonylContact O-C 3.51Å; P69-G240 WeakPolarHBondContact O-CA 3.11Å; P69-G240 PolarHBondContact O-N 3.24Å; L70-G240 PolarHBondContact O-N 3.11Å; T219-G240 WeakPolarHBondContact O-CA 3.13Å; T219-G240 PolarHBondContact O-N 3.4Å
241	A	95.2	Very high	95.8	Very high	6 Å²	6	28.3 Å²	28.3	5%	0.05	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	7.7	170	0	0	0	0	0	112.2	P69 D239 R243 R535 Y536	P69-A241 HydrophobicContact CG-CB 4.42Å; D239-A241 PolarHBondContact O-N 2.87Å; D239-A241 VanDerWaalsContact O-N 3.1Å; D239-A241 VanDerWaalsContact OD1-C 3.3Å; D239-A241 WeakPolarHBondContact OD1-CA 3.4Å; D239-A241 WeakPolarHBondContact OD1-CB 3.34Å; D239-A241 PolarHBondContact OD1-N 2.89Å; A241-R243 PolarHBondContact O-N 2.87Å; A241-R535 PolarHBondContact O-NH1 2.94Å; A241-R535 PolarHBondContact O-NH2 3.21Å; A241-Y536 HydrophobicContact CB-CD1 3.49Å; A241-Y536 VanDerWaalsContact CB-CD1 3.49Å; A241-Y536 HydrophobicContact CB-CE1 3.49Å; A241-Y536 VanDerWaalsContact CB-CE1 3.49Å
242	G	95.9	Very high	96.1	Very high	26 Å²	26	25 Å²	25	27%	0.268	14%	0.143	S	C	.	.			trans	71.8	10.3	178.9	0	0	0	0	0	115.1	D239	D239-G242 PolarHBondContact O-N 3.09Å; D239-G242 PolarHBondContact OD1-N 2.69Å; D239-G242 VanDerWaalsContact OD1-N 3.08Å
243	R	97.8	Very high	96.5	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.011	15%	0.146	C	C	.	.			trans	-68.3	140.2	168.8	-68.1	-178.8	-62.3	-144.5	-3.7	108.9	L66 P67 T238 D239 A241 F245 L296 H298 D299 Y536	L66-R243 VanDerWaalsContact CB-CZ 3.48Å; L66-R243 VanDerWaalsContact CB-NH1 3.27Å; L66-R243 PolarHBondContact O-NH2 3.19Å; P67-R243 PolarHBondContact O-NH1 2.91Å; P67-R243 PolarHBondContact O-NH2 3.47Å; T238-R243 VanDerWaalsContact CA-O 3.27Å; T238-R243 WeakPolarHBondContact CA-O 3.22Å; D239-R243 PolarHBondContact N-O 3.38Å; D239-R243 WeakPolarHBondContact OD1-CB 3.47Å; D239-R243 PolarHBondContact OD1-N 3.29Å; D239-R243 IonicContact OD1-NE 2.69Å; D239-R243 IonicContact OD2-CZ 3.12Å; D239-R243 IonicContact OD2-NE 2.73Å; D239-R243 PolarHBondContact OD2-NE 2.88Å; D239-R243 IonicContact OD2-NH2 2.69Å; D239-R243 PolarHBondContact OD2-NH2 3.2Å; A241-R243 PolarHBondContact O-N 2.87Å; R243-F245 HydrophobicContact CB-CE2 3.76Å; R243-F245 HydrophobicContact CB-CZ 3.93Å; R243-L296 HydrophobicContact CB-CD1 3.92Å; R243-L296 HydrophobicContact CG-CD1 4.35Å; R243-H298 WeakPolarHBondContact CA-O 3.35Å; R243-D299 WeakPolarHBondContact CD-OD2 3.35Å; R243-Y536 HydrophobicContact CG-CE1 3.87Å
244	Q	98.3	Very high	96.7	Very high	73 Å²	73	28.4 Å²	28.4	34%	0.341	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.8	178.9	-50.9	-179.5	4.1	0	0	110.5	V237 T238 T297 H298	V237-Q244 CarbonylContact O-C 3.54Å; V237-Q244 WeakPolarHBondContact O-CA 3.33Å; T238-Q244 HydrophobicContact CG2-CG 4.33Å; Q244-T297 PolarHBondContact O-N 3.05Å; Q244-T297 PolarHBondContact O-OG1 2.92Å; Q244-T297 VanDerWaalsContact O-OG1 3.13Å; Q244-H298 HydrophobicContact CB-CB 3.85Å; Q244-H298 HydrophobicContact CG-CB 3.94Å; Q244-H298 PolarHBondContact N-O 3.48Å; Q244-H298 PolarHBondContact O-N 3.06Å
245	F	98.4	Very high	96.8	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.8	-179	-54.5	-95.2	0	0	0	109.7	F64 L66 F72 G236 V237 D239 R243 V294 W295 L296 L311	F64-F245 HydrophobicContact CE2-CD1 4.29Å; F64-F245 AromaticContact CE2-CE1 4Å; F64-F245 HydrophobicContact CE2-CE1 4Å; F64-F245 HydrophobicContact CZ-CD1 4.3Å; F64-F245 HydrophobicContact CZ-CE1 4.45Å; L66-F245 HydrophobicContact CD1-CE1 3.84Å; L66-F245 HydrophobicContact CD1-CZ 4.06Å; F72-F245 HydrophobicContact CB-CD2 4.21Å; F72-F245 HydrophobicContact CB-CE2 3.94Å; F72-F245 HydrophobicContact CB-CZ 4.38Å; F72-F245 HydrophobicContact CD1-CB 4.12Å; F72-F245 HydrophobicContact CD1-CD1 4.14Å; F72-F245 AromaticContact CD1-CD2 3.79Å; F72-F245 HydrophobicContact CD1-CD2 3.79Å; F72-F245 HydrophobicContact CD1-CE2 4.23Å; F72-F245 AromaticContact CD1-CG 3.75Å; F72-F245 HydrophobicContact CD1-CG 3.75Å; F72-F245 HydrophobicContact CE1-CB 4.28Å; F72-F245 HydrophobicContact CE1-CG 4.35Å; F72-F245 HydrophobicContact CG-CD2 4.46Å; G236-F245 CarbonylContact C-O 3.48Å; G236-F245 WeakPolarHBondContact CA-O 3.19Å; V237-F245 HydrophobicContact CB-CB 4.33Å; V237-F245 HydrophobicContact CB-CD2 4.37Å; V237-F245 PolarHBondContact N-O 3.04Å; V237-F245 WeakPolarHBondContact O-CD2 3.49Å; V237-F245 PolarHBondContact O-N 2.81Å; D239-F245 HydrophobicContact CB-CE2 4.11Å; R243-F245 HydrophobicContact CB-CE2 3.76Å; R243-F245 HydrophobicContact CB-CZ 3.93Å; F245-V294 HydrophobicContact CB-CG1 4.23Å; F245-V294 HydrophobicContact CD1-CG1 4.44Å; F245-W295 CarbonylContact C-O 3.53Å; F245-W295 WeakPolarHBondContact CA-O 3.22Å; F245-L296 HydrophobicContact CD1-CD1 4.07Å; F245-L296 HydrophobicContact CE1-CD1 3.75Å; F245-L296 HydrophobicContact CZ-CD1 4.05Å; F245-L311 HydrophobicContact CD1-CD1 3.96Å; F245-L311 HydrophobicContact CE1-CD1 3.82Å
246	R	98.2	Very high	96.7	Very high	157 Å²	157	28.6 Å²	28.6	59%	0.592	16%	0.156	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108	124.6	171.4	-178.5	179.8	-177	178	2.1	109.9	V294 W295 T297	R246-V294 WeakPolarHBondContact O-CA 3.45Å; R246-W295 HydrophobicContact CB-CB 4.45Å; R246-W295 PolarHBondContact N-O 2.97Å; R246-W295 PolarHBondContact O-N 3.03Å; R246-T297 HydrophobicContact CB-CG2 3.63Å
247	L	98.2	Very high	96.7	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	116.4	172.2	-77.7	72.5	0	0	0	108	F72 I91 I234 T235 V237 L249 L291 V294	F72-L247 HydrophobicContact CE1-CD1 4.18Å; F72-L247 HydrophobicContact CZ-CD1 4.4Å; I91-L247 HydrophobicContact CD1-CD2 3.96Å; I234-L247 HydrophobicContact CB-CD2 4.4Å; I234-L247 HydrophobicContact CG2-CD2 4.02Å; I234-L247 WeakPolarHBondContact O-CB 3.29Å; T235-L247 PolarHBondContact O-N 3.38Å; V237-L247 HydrophobicContact CG2-CD1 3.79Å; L247-L249 HydrophobicContact CB-CD2 4.46Å; L247-L291 HydrophobicContact CB-CD1 3.75Å; L247-L291 HydrophobicContact CD2-CD1 4.18Å; L247-L291 HydrophobicContact CG-CD1 3.96Å; L247-V294 HydrophobicContact CD1-CG1 4.47Å; L247-V294 HydrophobicContact CG-CG2 4.2Å
248	V	98.5	Very high	96.4	Very high	47 Å²	47	35 Å²	35	29%	0.285	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	111.8	178.8	179.9	0	0	0	0	108.2	S292 A293	V248-S292 PolarHBondContact O-N 2.97Å; V248-A293 HydrophobicContact CB-CB 4.42Å; V248-A293 PolarHBondContact N-O 2.81Å; V248-A293 PolarHBondContact O-N 3.03Å
249	L	98.3	Very high	96.1	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.068	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	155	-179.2	-53.9	-177	0	0	0	111.4	I91 F230 E233 T235 L247 I289 R290 L291	I91-L249 HydrophobicContact CG2-CD2 4.04Å; F230-L249 HydrophobicContact CB-CD1 4.35Å; F230-L249 HydrophobicContact CD1-CB 3.83Å; F230-L249 HydrophobicContact CD1-CD1 4.27Å; F230-L249 HydrophobicContact CE1-CB 3.76Å; F230-L249 HydrophobicContact CG-CB 4.29Å; F230-L249 HydrophobicContact CG-CD1 4.36Å; F230-L249 HydrophobicContact CZ-CB 4.16Å; F230-L249 WeakPolarHBondContact CZ-O 3.35Å; E233-L249 HydrophobicContact CB-CD1 3.47Å; E233-L249 VanDerWaalsContact CB-CD1 3.47Å; E233-L249 HydrophobicContact CG-CD1 4.29Å; T235-L249 HydrophobicContact CG2-CD1 3.87Å; T235-L249 HydrophobicContact CG2-CG 4.43Å; L247-L249 HydrophobicContact CB-CD2 4.46Å; L249-I289 HydrophobicContact CB-CG2 3.97Å; L249-I289 HydrophobicContact CD1-CG2 4.02Å; L249-I289 HydrophobicContact CG-CG2 4.45Å; L249-R290 CarbonylContact C-O 3.57Å; L249-R290 VanDerWaalsContact CA-O 3.3Å; L249-R290 WeakPolarHBondContact CA-O 3.43Å; L249-L291 HydrophobicContact CD2-CB 4.28Å; L249-L291 HydrophobicContact CD2-CD1 3.94Å
250	T	97.6	Very high	95.8	Very high	19 Å²	19	37.7 Å²	37.7	12%	0.117	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.1	171.2	53	0	0	0	0	111.1	R255 I289 R290 S292	T250-R255 PolarHBondContact O-NH1 3.04Å; T250-R255 PolarHBondContact OG1-NH1 2.95Å; T250-I289 WeakPolarHBondContact O-CA 3.27Å; T250-R290 PolarHBondContact N-O 2.93Å; T250-R290 PolarHBondContact O-N 3.12Å; T250-S292 WeakPolarHBondContact CG2-OG 3.49Å; T250-S292 PolarHBondContact OG1-OG 2.83Å
251	T	96.8	Very high	95.6	Very high	22 Å²	22	41.4 Å²	41.4	14%	0.135	21%	0.21	C	C	.	.			trans	-80.8	164.8	168.2	65.4	0	0	0	0	110.5	E229 F230 Q254 R255	E229-T251 HydrophobicContact CB-CG2 4.17Å; F230-T251 HydrophobicContact CD1-CG2 4.42Å; F230-T251 HydrophobicContact CE1-CG2 3.68Å; F230-T251 HydrophobicContact CZ-CG2 4.24Å; T251-Q254 PolarHBondContact O-N 3.17Å; T251-Q254 WeakPolarHBondContact OG1-CB 3.31Å; T251-Q254 PolarHBondContact OG1-N 3.06Å; T251-Q254 VanDerWaalsContact OG1-N 3.14Å; T251-R255 PolarHBondContact O-N 3.35Å; T251-R255 PolarHBondContact O-NH1 2.77Å
252	Q	95.9	Very high	95.3	Very high	9 Å²	9	47.9 Å²	47.9	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-46.3	173.1	179.4	68.9	11.7	0	0	111.8	Q254 R255 A256 P274 D275 L277 G288 P318	Q252-Q254 VanDerWaalsContact C-N 3.31Å; Q252-Q254 PolarHBondContact O-N 3.33Å; Q252-R255 PolarHBondContact O-N 2.94Å; Q252-R255 VanDerWaalsContact O-N 3.12Å; Q252-A256 PolarHBondContact O-N 3.26Å; Q252-P274 WeakPolarHBondContact CG-O 3.23Å; Q252-P274 PolarHBondContact NE2-O 2.85Å; Q252-D275 WeakPolarHBondContact CG-O 3.23Å; Q252-L277 HydrophobicContact CB-CD1 4.13Å; Q252-L277 HydrophobicContact CB-CG 4.27Å; Q252-L277 HydrophobicContact CG-CD1 4.1Å; Q252-L277 HydrophobicContact CG-CD2 4.45Å; Q252-L277 HydrophobicContact CG-CG 3.82Å; Q252-G288 PolarHBondContact N-O 2.9Å; Q252-P318 PolarHBondContact NE2-O 2.75Å
253	A	95.1	Very high	95	Very high	47 Å²	47	47.1 Å²	47.1	39%	0.388	23%	0.23	S	C	.	.	H	α-helix	trans	-58.4	-42.4	179.3	0	0	0	0	0	111.7	R255 A256 E257 D275	A253-R255 PolarHBondContact O-N 3.1Å; A253-A256 PolarHBondContact O-N 2.78Å; A253-E257 WeakPolarHBondContact O-CB 3.29Å; A253-E257 PolarHBondContact O-N 2.66Å; A253-D275 WeakPolarHBondContact CA-O 3.25Å; A253-D275 PolarHBondContact N-O 3.02Å
254	Q	95.6	Very high	94.6	Very high	83 Å²	83	52.6 Å²	52.6	39%	0.388	26%	0.258	S	S	.	.	H	α-helix	trans	-63.8	-39.8	176.8	-171.3	65	63.9	0	0	112.2	T251 Q252 N258	T251-Q254 PolarHBondContact O-N 3.17Å; T251-Q254 WeakPolarHBondContact OG1-CB 3.31Å; T251-Q254 PolarHBondContact OG1-N 3.06Å; T251-Q254 VanDerWaalsContact OG1-N 3.14Å; Q252-Q254 VanDerWaalsContact C-N 3.31Å; Q252-Q254 PolarHBondContact O-N 3.33Å; Q254-N258 PolarHBondContact NE2-OD1 2.76Å; Q254-N258 WeakPolarHBondContact O-CB 3.37Å; Q254-N258 PolarHBondContact O-N 3.37Å; Q254-N258 PolarHBondContact O-ND2 3.12Å; Q254-N258 PolarHBondContact O-OD1 3.12Å
255	R	94.8	Very high	94.2	Very high	32 Å²	32	53.5 Å²	53.5	12%	0.121	28%	0.278	C	S	.	.	H	α-helix	trans	-66.3	-42	176.2	-71.6	-170.9	-62	-83	-0.9	111.8	T250 T251 Q252 A253 A259 G288	T250-R255 PolarHBondContact O-NH1 3.04Å; T250-R255 PolarHBondContact OG1-NH1 2.95Å; T251-R255 PolarHBondContact O-N 3.35Å; T251-R255 PolarHBondContact O-NH1 2.77Å; Q252-R255 PolarHBondContact O-N 2.94Å; Q252-R255 VanDerWaalsContact O-N 3.12Å; A253-R255 PolarHBondContact O-N 3.1Å; R255-A259 WeakPolarHBondContact O-CB 3.09Å; R255-A259 PolarHBondContact O-N 2.88Å; R255-G288 PolarHBondContact NH1-O 3.11Å; R255-G288 PolarHBondContact NH2-O 3.17Å
256	A	94.4	Very high	93.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62	-45.9	176.4	0	0	0	0	0	111.2	Q252 A253 A259 R260 I273 D275	Q252-A256 PolarHBondContact O-N 3.26Å; A253-A256 PolarHBondContact O-N 2.78Å; A256-A259 PolarHBondContact O-N 3.05Å; A256-R260 WeakPolarHBondContact O-CG 3.28Å; A256-R260 PolarHBondContact O-N 3.07Å; A256-I273 HydrophobicContact CB-CB 4.07Å; A256-I273 HydrophobicContact CB-CG2 3.8Å; A256-D275 WeakPolarHBondContact CB-OD1 3.45Å
257	E	93.8	Very high	93.3	Very high	67 Å²	67	53.1 Å²	53.1	31%	0.313	32%	0.317	S	S	.	.	H	α-helix	trans	-63.7	-47.2	177.9	-175.4	54.6	-153.4	0	0	112.4	A253 A259 R260 Q261	A253-E257 WeakPolarHBondContact O-CB 3.29Å; A253-E257 PolarHBondContact O-N 2.66Å; E257-A259 VanDerWaalsContact C-N 3.26Å; E257-A259 PolarHBondContact O-N 3.14Å; E257-R260 WeakPolarHBondContact O-CB 3.49Å; E257-R260 PolarHBondContact O-N 3.06Å; E257-R260 VanDerWaalsContact O-N 3.14Å; E257-R260 IonicContact OE2-CZ 3.32Å; E257-R260 IonicContact OE2-NE 2.98Å; E257-R260 PolarHBondContact OE2-NE 3.47Å; E257-R260 IonicContact OE2-NH2 2.82Å; E257-R260 PolarHBondContact OE2-NH2 3.18Å; E257-Q261 HydrophobicContact CG-CG 4.45Å; E257-Q261 WeakPolarHBondContact O-CG 3.14Å; E257-Q261 PolarHBondContact O-N 3.35Å; E257-Q261 WeakPolarHBondContact OE1-CG 3.41Å; E257-Q261 PolarHBondContact OE1-NE2 3.41Å
258	N	92.5	Very high	92.6	Very high	70 Å²	70	55.5 Å²	55.5	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-58.5	-40.5	177.2	-71.7	-7.6	0	0	0	111.8	Q254 Q261 Q262	Q254-N258 PolarHBondContact NE2-OD1 2.76Å; Q254-N258 WeakPolarHBondContact O-CB 3.37Å; Q254-N258 PolarHBondContact O-N 3.37Å; Q254-N258 PolarHBondContact O-ND2 3.12Å; Q254-N258 PolarHBondContact O-OD1 3.12Å; N258-Q261 PolarHBondContact O-N 3.2Å; N258-Q262 WeakPolarHBondContact O-CB 3.25Å; N258-Q262 VanDerWaalsContact O-CG 3.29Å; N258-Q262 WeakPolarHBondContact O-CG 3.4Å; N258-Q262 PolarHBondContact O-N 3.44Å
259	A	90.3	Very high	91.7	Very high	16 Å²	16	63.1 Å²	63.1	13%	0.132	37%	0.367	C	S	.	.	H	α-helix	trans	-67.9	-37.7	178.1	0	0	0	0	0	112.5	R255 A256 E257 A263 P271 I273	R255-A259 WeakPolarHBondContact O-CB 3.09Å; R255-A259 PolarHBondContact O-N 2.88Å; A256-A259 PolarHBondContact O-N 3.05Å; E257-A259 VanDerWaalsContact C-N 3.26Å; E257-A259 PolarHBondContact O-N 3.14Å; A259-A263 WeakPolarHBondContact O-CB 3.4Å; A259-A263 PolarHBondContact O-N 2.95Å; A259-P271 HydrophobicContact CB-CG 3.71Å; A259-I273 HydrophobicContact CB-CD1 3.47Å; A259-I273 VanDerWaalsContact CB-CD1 3.47Å; A259-I273 HydrophobicContact CB-CG1 4.37Å
260	R	91.5	Very high	90.2	Very high	72 Å²	72	64.2 Å²	64.2	27%	0.272	38%	0.381	S	S	.	.	H	α-helix	trans	-62.7	-47.7	172.2	-72.2	-176.2	-68.6	-102.2	6.4	111.4	A256 E257 Q262 A263 I264 D275	A256-R260 WeakPolarHBondContact O-CG 3.28Å; A256-R260 PolarHBondContact O-N 3.07Å; E257-R260 WeakPolarHBondContact O-CB 3.49Å; E257-R260 PolarHBondContact O-N 3.06Å; E257-R260 VanDerWaalsContact O-N 3.14Å; E257-R260 IonicContact OE2-CZ 3.32Å; E257-R260 IonicContact OE2-NE 2.98Å; E257-R260 PolarHBondContact OE2-NE 3.47Å; E257-R260 IonicContact OE2-NH2 2.82Å; E257-R260 PolarHBondContact OE2-NH2 3.18Å; R260-Q262 PolarHBondContact O-N 2.97Å; R260-A263 PolarHBondContact O-N 3.15Å; R260-I264 VanDerWaalsContact O-CG1 3.31Å; R260-I264 WeakPolarHBondContact O-CG1 3.39Å; R260-I264 PolarHBondContact O-N 3.13Å; R260-D275 IonicContact CZ-OD1 3.84Å; R260-D275 VanDerWaalsContact CZ-OD1 3.26Å; R260-D275 IonicContact NH1-OD1 3.79Å; R260-D275 PolarHBondContact NH1-OD1 2.88Å; R260-D275 IonicContact NH1-OD2 2.71Å; R260-D275 IonicContact NH2-OD1 3.24Å; R260-D275 PolarHBondContact NH2-OD1 3.1Å
261	Q	91.1	Very high	89	Confident	99 Å²	99	66.3 Å²	66.3	46%	0.463	39%	0.394	S	S	.	.	H	α-helix	trans	-61.5	-42.8	178.7	-68.2	-61.8	-25.2	0	0	112.2	E257 N258 A263 I264 A265	E257-Q261 HydrophobicContact CG-CG 4.45Å; E257-Q261 WeakPolarHBondContact O-CG 3.14Å; E257-Q261 PolarHBondContact O-N 3.35Å; E257-Q261 WeakPolarHBondContact OE1-CG 3.41Å; E257-Q261 PolarHBondContact OE1-NE2 3.41Å; N258-Q261 PolarHBondContact O-N 3.2Å; Q261-A263 VanDerWaalsContact C-N 3.35Å; Q261-A263 PolarHBondContact O-N 3.33Å; Q261-I264 PolarHBondContact O-N 2.89Å; Q261-A265 WeakPolarHBondContact O-CB 3.31Å; Q261-A265 PolarHBondContact O-N 3.02Å
262	Q	89	Confident	88.3	Confident	141 Å²	141	72.9 Å²	72.9	66%	0.659	43%	0.429	S	S	*	.	H	α-helix	trans	-62.2	-41.2	175.4	-76.1	176.7	-1.4	0	0	112.3	N258 R260 A265 A266	N258-Q262 WeakPolarHBondContact O-CB 3.25Å; N258-Q262 VanDerWaalsContact O-CG 3.29Å; N258-Q262 WeakPolarHBondContact O-CG 3.4Å; N258-Q262 PolarHBondContact O-N 3.44Å; R260-Q262 PolarHBondContact O-N 2.97Å; Q262-A265 PolarHBondContact O-N 2.76Å; Q262-A266 WeakPolarHBondContact O-CB 3.31Å; Q262-A266 PolarHBondContact O-N 2.75Å
263	A	89.4	Confident	88	Confident	10 Å²	10	73.8 Å²	73.8	8%	0.083	43%	0.434	C	S	.	.	H	α-helix	trans	-67.9	-40.5	177.6	0	0	0	0	0	112.6	A259 R260 Q261 A265 A266 G267 A268	A259-A263 WeakPolarHBondContact O-CB 3.4Å; A259-A263 PolarHBondContact O-N 2.95Å; R260-A263 PolarHBondContact O-N 3.15Å; Q261-A263 VanDerWaalsContact C-N 3.35Å; Q261-A263 PolarHBondContact O-N 3.33Å; A263-A265 VanDerWaalsContact C-N 3.34Å; A263-A266 CarbonylContact O-C 3.5Å; A263-A266 PolarHBondContact O-N 3.06Å; A263-G267 PolarHBondContact O-N 2.82Å; A263-A268 CarbonylContact C-O 3.48Å; A263-A268 PolarHBondContact O-N 2.96Å
264	I	89.3	Confident	87.8	Confident	118 Å²	118	74.3 Å²	74.3	61%	0.605	43%	0.433	S	S	*	.	H	α-helix	trans	-58.4	-48.2	172.7	-68.6	165.2	0	0	0	109.9	R260 Q261 A266 G267	R260-I264 VanDerWaalsContact O-CG1 3.31Å; R260-I264 WeakPolarHBondContact O-CG1 3.39Å; R260-I264 PolarHBondContact O-N 3.13Å; Q261-I264 PolarHBondContact O-N 2.89Å; I264-A266 VanDerWaalsContact C-N 3.27Å; I264-A266 PolarHBondContact O-N 2.88Å; I264-G267 PolarHBondContact O-N 2.88Å; I264-G267 VanDerWaalsContact O-N 3.07Å
265	A	90	Very high	87.7	Confident	92 Å²	92	74.4 Å²	74.4	76%	0.76	44%	0.436	S	S	*	.	H	α-helix	trans	-62.7	-32.7	177.8	0	0	0	0	0	112.9	Q261 Q262 A263 G267	Q261-A265 WeakPolarHBondContact O-CB 3.31Å; Q261-A265 PolarHBondContact O-N 3.02Å; Q262-A265 PolarHBondContact O-N 2.76Å; A263-A265 VanDerWaalsContact C-N 3.34Å; A265-G267 VanDerWaalsContact C-N 3.32Å
266	A	88.4	Confident	87.5	Confident	78 Å²	78	77.2 Å²	77.2	65%	0.645	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-2	175.8	0	0	0	0	0	114	Q262 A263 I264 A268	Q262-A266 WeakPolarHBondContact O-CB 3.31Å; Q262-A266 PolarHBondContact O-N 2.75Å; A263-A266 CarbonylContact O-C 3.5Å; A263-A266 PolarHBondContact O-N 3.06Å; I264-A266 VanDerWaalsContact C-N 3.27Å; I264-A266 PolarHBondContact O-N 2.88Å; A266-A268 PolarHBondContact O-N 2.72Å
267	G	88.4	Confident	87.4	Confident	74 Å²	74	78.2 Å²	78.2	76%	0.763	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	21.7	-175	0	0	0	0	0	114.1	A263 I264 A265	A263-G267 PolarHBondContact O-N 2.82Å; I264-G267 PolarHBondContact O-N 2.88Å; I264-G267 VanDerWaalsContact O-N 3.07Å; A265-G267 VanDerWaalsContact C-N 3.32Å
268	A	84.6	Confident	87.3	Confident	57 Å²	57	79.1 Å²	79.1	47%	0.471	48%	0.478	S	S	.	.	S	Bend	trans	-106	155.7	-177.8	0	0	0	0	0	111.5	A263 A266 G270	A263-A268 CarbonylContact C-O 3.48Å; A263-A268 PolarHBondContact O-N 2.96Å; A266-A268 PolarHBondContact O-N 2.72Å; A268-G270 PolarHBondContact O-N 2.85Å
269	K	78.2	Confident	87	Confident	207 Å²	207	81 Å²	81	90%	0.9	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-64.4	126	168.6	-173.2	179.5	178	-175.9	0	108.7
270	G	66.9	Low	86.9	Confident	35 Å²	35	88 Å²	88	36%	0.361	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-54.9	143.2	179.8	0	0	0	0	0	113.4	A268	A268-G270 PolarHBondContact O-N 2.85Å
271	P	73.8	Confident	86.8	Confident	63 Å²	63	85.5 Å²	85.5	41%	0.409	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-63.3	143.9	171.5	28.3	-33.4	0	0	0	109.7	A259 I273	A259-P271 HydrophobicContact CB-CG 3.71Å; P271-I273 HydrophobicContact CB-CD1 4.44Å; P271-I273 HydrophobicContact CB-CG1 4.02Å; P271-I273 HydrophobicContact CG-CD1 4.12Å; P271-I273 HydrophobicContact CG-CG1 4.06Å; P271-I273 PolarHBondContact O-N 3.01Å
272	D	81.6	Confident	86.6	Confident	161 Å²	161	85.8 Å²	85.8	86%	0.861	51%	0.506	S	S	*	.			trans	-79.5	73.1	176.9	-164.9	13.9	0	0	0	109.7
273	I	89	Confident	86.7	Confident	28 Å²	28	79.6 Å²	79.6	14%	0.144	48%	0.477	C	S	.	.			trans	-94.7	119.7	174.1	-53.4	-169.9	0	0	0	107.8	A256 A259 P271 P318	A256-I273 HydrophobicContact CB-CB 4.07Å; A256-I273 HydrophobicContact CB-CG2 3.8Å; A259-I273 HydrophobicContact CB-CD1 3.47Å; A259-I273 VanDerWaalsContact CB-CD1 3.47Å; A259-I273 HydrophobicContact CB-CG1 4.37Å; P271-I273 HydrophobicContact CB-CD1 4.44Å; P271-I273 HydrophobicContact CB-CG1 4.02Å; P271-I273 HydrophobicContact CG-CD1 4.12Å; P271-I273 HydrophobicContact CG-CG1 4.06Å; P271-I273 PolarHBondContact O-N 3.01Å; I273-P318 HydrophobicContact CB-CB 4.5Å; I273-P318 HydrophobicContact CG1-CB 4.04Å; I273-P318 HydrophobicContact CG1-CG 4.21Å; I273-P318 HydrophobicContact CG2-CB 4.34Å
274	P	92	Very high	86.9	Confident	57 Å²	57	79.3 Å²	79.3	37%	0.37	48%	0.475	S	S	.	.			trans	-70	143.7	-179.7	29.8	-35.3	0	0	0	110.7	Q252 S276	Q252-P274 WeakPolarHBondContact CG-O 3.23Å; Q252-P274 PolarHBondContact NE2-O 2.85Å; P274-S276 PolarHBondContact O-N 3.13Å
275	D	92.1	Very high	87	Confident	86 Å²	86	80.8 Å²	80.8	46%	0.46	47%	0.473	S	S	.	.	S	Bend	trans	-69.5	-24.2	178.3	-66.8	-45.7	0	0	0	112.9	Q252 A253 A256 R260	Q252-D275 WeakPolarHBondContact CG-O 3.23Å; A253-D275 WeakPolarHBondContact CA-O 3.25Å; A253-D275 PolarHBondContact N-O 3.02Å; A256-D275 WeakPolarHBondContact CB-OD1 3.45Å; R260-D275 IonicContact CZ-OD1 3.84Å; R260-D275 VanDerWaalsContact CZ-OD1 3.26Å; R260-D275 IonicContact NH1-OD1 3.79Å; R260-D275 PolarHBondContact NH1-OD1 2.88Å; R260-D275 IonicContact NH1-OD2 2.71Å; R260-D275 IonicContact NH2-OD1 3.24Å; R260-D275 PolarHBondContact NH2-OD1 3.1Å
276	S	92.4	Very high	87.3	Confident	91 Å²	91	76.6 Å²	76.6	64%	0.636	44%	0.438	S	S	*	.	S	Bend	trans	-129.3	148.9	178.8	60.4	0	0	0	0	111.5	P274	P274-S276 PolarHBondContact O-N 3.13Å
277	L	91.9	Very high	87.5	Confident	21 Å²	21	76.8 Å²	76.8	11%	0.11	43%	0.428	C	S	.	.			trans	-103	157.1	172.5	-65.9	162.5	0	0	0	109.7	Q252 D279	Q252-L277 HydrophobicContact CB-CD1 4.13Å; Q252-L277 HydrophobicContact CB-CG 4.27Å; Q252-L277 HydrophobicContact CG-CD1 4.1Å; Q252-L277 HydrophobicContact CG-CD2 4.45Å; Q252-L277 HydrophobicContact CG-CG 3.82Å; L277-D279 PolarHBondContact O-N 3.45Å
278	P	91.1	Very high	87.8	Confident	86 Å²	86	73.3 Å²	73.3	56%	0.558	39%	0.392	S	S	*	.			trans	-57.4	136	168.9	-22.4	33.1	0	0	0	111.2	Y280	P278-Y280 PolarHBondContact O-N 2.71Å; P278-Y280 VanDerWaalsContact O-N 3.14Å
279	D	85.5	Confident	88.3	Confident	110 Å²	110	71.2 Å²	71.2	59%	0.588	37%	0.373	S	S	*	.	S	Bend	trans	-59.8	-26.9	-174.2	-72.1	-16.1	0	0	0	114.2	L277 R285 D286	L277-D279 PolarHBondContact O-N 3.45Å; D279-R285 CarbonylContact O-C 3.28Å; D279-R285 WeakPolarHBondContact O-CA 3Å; D279-R285 WeakPolarHBondContact O-CG 3.17Å; D279-D286 PolarHBondContact O-N 3.38Å
280	Y	88.1	Confident	89.3	Confident	162 Å²	162	61.3 Å²	61.3	64%	0.635	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.5	-176.7	-79.7	-94	0	0	0	111.7	P278 R285	P278-Y280 PolarHBondContact O-N 2.71Å; P278-Y280 VanDerWaalsContact O-N 3.14Å; Y280-R285 HydrophobicContact CD1-CB 4.15Å; Y280-R285 HydrophobicContact CE1-CB 3.75Å; Y280-R285 HydrophobicContact CE1-CG 4.36Å; Y280-R285 HydrophobicContact CE2-CG 4.25Å
281	T	89.6	Confident	90.8	Very high	20 Å²	20	59.7 Å²	59.7	12%	0.123	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	170.1	167.4	70.7	0	0	0	0	109	P94 Y283 G284 D286 R343	P94-T281 HydrophobicContact CB-CG2 4.22Å; T281-Y283 PolarHBondContact O-N 3.27Å; T281-Y283 PolarHBondContact OG1-N 3.48Å; T281-G284 PolarHBondContact N-O 2.77Å; T281-G284 PolarHBondContact O-N 2.98Å; T281-G284 VanDerWaalsContact O-N 3.08Å; T281-G284 PolarHBondContact OG1-N 2.8Å; T281-G284 PolarHBondContact OG1-O 2.61Å; T281-D286 HydrophobicContact CG2-CB 4.01Å; T281-R343 VanDerWaalsContact CG2-NH1 3.34Å
282	E	88.4	Confident	91.9	Very high	104 Å²	104	57.8 Å²	57.8	49%	0.486	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-8.6	168.5	-63.5	-72	139.5	0	0	113.5	R82	R82-E282 WeakPolarHBondContact CD-OE2 3.43Å; R82-E282 HydrophobicContact CG-CB 4.22Å; R82-E282 IonicContact CZ-OE2 2.79Å; R82-E282 IonicContact NE-OE2 3.77Å; R82-E282 VanDerWaalsContact NH1-CD 3.34Å; R82-E282 IonicContact NH1-OE2 3.15Å; R82-E282 PolarHBondContact NH1-OE2 3.12Å
283	Y	91	Very high	92.7	Very high	11 Å²	11	50.6 Å²	50.6	4%	0.043	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	9.7	-179.6	-58.8	-80.8	0	0	0	113.4	S79 S80 R82 P94 T281 R343	S79-Y283 WeakPolarHBondContact O-CE1 3.33Å; S80-Y283 PolarHBondContact O-OH 2.83Å; R82-Y283 HydrophobicContact CG-CE1 4.29Å; P94-Y283 HydrophobicContact CB-CD2 3.78Å; P94-Y283 HydrophobicContact CB-CG 4.28Å; T281-Y283 PolarHBondContact O-N 3.27Å; T281-Y283 PolarHBondContact OG1-N 3.48Å; Y283-R343 WeakPolarHBondContact CE2-O 3.35Å
284	G	92.1	Very high	93.2	Very high	5 Å²	5	49.2 Å²	49.2	5%	0.052	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	113.4	179.8	-178.9	0	0	0	0	0	113.6	T281	T281-G284 PolarHBondContact N-O 2.77Å; T281-G284 PolarHBondContact O-N 2.98Å; T281-G284 VanDerWaalsContact O-N 3.08Å; T281-G284 PolarHBondContact OG1-N 2.8Å; T281-G284 PolarHBondContact OG1-O 2.61Å
285	R	93.3	Very high	93.5	Very high	149 Å²	149	50.6 Å²	50.6	56%	0.562	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	134.4	176	-172.2	-178.7	179.4	-174.2	-0.2	109.7	P88 V89 D279 Y280	P88-R285 CarbonylContact C-O 3.53Å; P88-R285 WeakPolarHBondContact CA-O 3.21Å; V89-R285 PolarHBondContact N-O 2.83Å; D279-R285 CarbonylContact O-C 3.28Å; D279-R285 WeakPolarHBondContact O-CA 3Å; D279-R285 WeakPolarHBondContact O-CG 3.17Å; Y280-R285 HydrophobicContact CD1-CB 4.15Å; Y280-R285 HydrophobicContact CE1-CB 3.75Å; Y280-R285 HydrophobicContact CE1-CG 4.36Å; Y280-R285 HydrophobicContact CE2-CG 4.25Å
286	D	94.9	Very high	93.8	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	24%	0.235	C	C	.	.			trans	-125.3	118.7	-178.8	-178	9.9	0	0	0	110.3	V89 D279 T281 G288 R290 R343	V89-D286 HydrophobicContact CB-CB 3.95Å; V89-D286 HydrophobicContact CG1-CB 4.39Å; V89-D286 HydrophobicContact CG2-CB 4.01Å; D279-D286 PolarHBondContact O-N 3.38Å; T281-D286 HydrophobicContact CG2-CB 4.01Å; D286-G288 VanDerWaalsContact C-N 3.32Å; D286-G288 PolarHBondContact OD1-N 2.86Å; D286-R290 VanDerWaalsContact CG-NH2 3.27Å; D286-R290 IonicContact OD1-CZ 3.13Å; D286-R290 IonicContact OD1-NH1 2.72Å; D286-R290 PolarHBondContact OD1-NH1 2.86Å; D286-R290 IonicContact OD1-NH2 2.7Å; D286-R290 PolarHBondContact OD1-NH2 3.15Å; D286-R290 IonicContact OD2-CZ 3.96Å; D286-R290 IonicContact OD2-NH1 2.84Å; D286-R290 IonicContact OD2-NH2 3.97Å; D286-R290 PolarHBondContact OD2-NH2 2.85Å; D286-R343 IonicContact OD2-CZ 3.74Å; D286-R343 IonicContact OD2-NH1 3.26Å; D286-R343 PolarHBondContact OD2-NH1 2.93Å; D286-R343 IonicContact OD2-NH2 2.76Å; D286-R343 PolarHBondContact OD2-NH2 2.8Å
287	N	92.6	Very high	94.1	Very high	81 Å²	81	45.6 Å²	45.6	43%	0.433	22%	0.223	S	C	.	.			trans	-86	-3.4	178.5	62.1	11.2	0	0	0	113.2	E233 I289	E233-N287 PolarHBondContact OE1-ND2 3.25Å; N287-I289 PolarHBondContact O-N 3.45Å; N287-I289 WeakPolarHBondContact OD1-CB 3.06Å; N287-I289 PolarHBondContact OD1-N 2.85Å
288	G	94.8	Very high	94.4	Very high	1 Å²	1	48 Å²	48	1%	0.01	23%	0.234	C	C	.	.			trans	72.8	5.8	-178.8	0	0	0	0	0	115	Q252 R255 D286	Q252-G288 PolarHBondContact N-O 2.9Å; R255-G288 PolarHBondContact NH1-O 3.11Å; R255-G288 PolarHBondContact NH2-O 3.17Å; D286-G288 VanDerWaalsContact C-N 3.32Å; D286-G288 PolarHBondContact OD1-N 2.86Å
289	I	96.2	Very high	94.7	Very high	13 Å²	13	44 Å²	44	7%	0.067	21%	0.208	C	C	.	.			trans	-79.3	134.5	175.2	-60.6	171.5	0	0	0	109	F230 E233 L249 T250 N287	F230-I289 HydrophobicContact CD1-CD1 4.15Å; F230-I289 HydrophobicContact CD1-CG1 4.38Å; F230-I289 HydrophobicContact CD1-CG2 3.9Å; F230-I289 HydrophobicContact CE1-CG2 4.19Å; E233-I289 HydrophobicContact CG-CB 4.5Å; E233-I289 HydrophobicContact CG-CD1 3.7Å; E233-I289 HydrophobicContact CG-CG2 4.15Å; L249-I289 HydrophobicContact CB-CG2 3.97Å; L249-I289 HydrophobicContact CD1-CG2 4.02Å; L249-I289 HydrophobicContact CG-CG2 4.45Å; T250-I289 WeakPolarHBondContact O-CA 3.27Å; N287-I289 PolarHBondContact O-N 3.45Å; N287-I289 WeakPolarHBondContact OD1-CB 3.06Å; N287-I289 PolarHBondContact OD1-N 2.85Å
290	R	97.5	Very high	95.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.2	-177.4	-59.1	-62.6	-179.7	-94.6	-1.2	112.7	I91 L249 T250 D286 W316 G320	I91-R290 WeakPolarHBondContact O-CA 3.48Å; L249-R290 CarbonylContact C-O 3.57Å; L249-R290 VanDerWaalsContact CA-O 3.3Å; L249-R290 WeakPolarHBondContact CA-O 3.43Å; T250-R290 PolarHBondContact N-O 2.93Å; T250-R290 PolarHBondContact O-N 3.12Å; D286-R290 VanDerWaalsContact CG-NH2 3.27Å; D286-R290 IonicContact OD1-CZ 3.13Å; D286-R290 IonicContact OD1-NH1 2.72Å; D286-R290 PolarHBondContact OD1-NH1 2.86Å; D286-R290 IonicContact OD1-NH2 2.7Å; D286-R290 PolarHBondContact OD1-NH2 3.15Å; D286-R290 IonicContact OD2-CZ 3.96Å; D286-R290 IonicContact OD2-NH1 2.84Å; D286-R290 IonicContact OD2-NH2 3.97Å; D286-R290 PolarHBondContact OD2-NH2 2.85Å; R290-W316 HydrophobicContact CB-CD2 3.65Å; R290-W316 VanDerWaalsContact CB-CE2 3.41Å; R290-W316 HydrophobicContact CB-CE3 4.09Å; R290-W316 HydrophobicContact CB-CG 4.17Å; R290-W316 HydrophobicContact CB-CH2 4.24Å; R290-W316 HydrophobicContact CB-CZ2 3.75Å; R290-W316 HydrophobicContact CB-CZ3 4.37Å; R290-W316 VanDerWaalsContact CD-CZ3 3.48Å; R290-W316 HydrophobicContact CG-CD2 3.69Å; R290-W316 HydrophobicContact CG-CE3 3.71Å; R290-W316 HydrophobicContact CG-CG 4.25Å; R290-W316 HydrophobicContact CG-CH2 4.42Å; R290-W316 HydrophobicContact CG-CZ2 4.36Å; R290-W316 HydrophobicContact CG-CZ3 4.08Å; R290-G320 VanDerWaalsContact CZ-O 3.29Å; R290-G320 PolarHBondContact NE-O 2.8Å; R290-G320 PolarHBondContact NH2-O 2.74Å
291	L	98.4	Very high	95.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	123.1	172.5	-178.9	62.5	0	0	0	110.4	L74 I91 F92 L247 L249 A293 V294 Y314 W316	L74-L291 HydrophobicContact CD2-CD2 3.83Å; I91-L291 HydrophobicContact CB-CB 4.13Å; I91-L291 HydrophobicContact CD1-CB 4.17Å; I91-L291 HydrophobicContact CD1-CD2 4.14Å; I91-L291 HydrophobicContact CG1-CB 4.35Å; I91-L291 PolarHBondContact O-N 2.88Å; F92-L291 HydrophobicContact CE1-CD2 4.15Å; F92-L291 HydrophobicContact CZ-CD2 4.04Å; L247-L291 HydrophobicContact CB-CD1 3.75Å; L247-L291 HydrophobicContact CD2-CD1 4.18Å; L247-L291 HydrophobicContact CG-CD1 3.96Å; L249-L291 HydrophobicContact CD2-CB 4.28Å; L249-L291 HydrophobicContact CD2-CD1 3.94Å; L291-A293 WeakPolarHBondContact CD1-O 3.24Å; L291-V294 HydrophobicContact CD1-CG2 4.12Å; L291-V294 HydrophobicContact CD2-CG2 3.93Å; L291-V294 HydrophobicContact CG-CG2 4.46Å; L291-Y314 HydrophobicContact CB-CD2 4.41Å; L291-Y314 HydrophobicContact CD2-CD2 3.98Å; L291-Y314 HydrophobicContact CD2-CE2 3.46Å; L291-Y314 VanDerWaalsContact CD2-CE2 3.46Å; L291-Y314 HydrophobicContact CG-CD2 3.86Å; L291-Y314 HydrophobicContact CG-CE2 3.85Å; L291-Y314 WeakPolarHBondContact O-CB 3.32Å; L291-W316 VanDerWaalsContact O-CE2 3.29Å; L291-W316 WeakPolarHBondContact O-CZ2 3.42Å; L291-W316 PolarHBondContact O-NE1 2.93Å
292	S	98.4	Very high	95.7	Very high	24 Å²	24	37.9 Å²	37.9	17%	0.168	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-42.2	175.4	-61.1	0	0	0	0	111.9	V248 T250 R313 Y314	V248-S292 PolarHBondContact O-N 2.97Å; T250-S292 WeakPolarHBondContact CG2-OG 3.49Å; T250-S292 PolarHBondContact OG1-OG 2.83Å; S292-R313 CarbonylContact O-C 3.53Å; S292-R313 VanDerWaalsContact O-CA 3.3Å; S292-R313 WeakPolarHBondContact O-CA 3.28Å; S292-R313 VanDerWaalsContact O-CG 3.28Å; S292-R313 WeakPolarHBondContact O-CG 3.49Å; S292-Y314 PolarHBondContact O-N 2.91Å
293	A	98.7	Very high	95.9	Very high	9 Å²	9	36.2 Å²	36.2	7%	0.074	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	159.9	-178.6	0	0	0	0	0	112.4	V248 L291 P310 V312	V248-A293 HydrophobicContact CB-CB 4.42Å; V248-A293 PolarHBondContact N-O 2.81Å; V248-A293 PolarHBondContact O-N 3.03Å; L291-A293 WeakPolarHBondContact CD1-O 3.24Å; A293-P310 HydrophobicContact CB-CB 3.97Å; A293-P310 HydrophobicContact CB-CG 4.47Å; A293-V312 VanDerWaalsContact CA-O 3.28Å; A293-V312 WeakPolarHBondContact CA-O 3.41Å
294	V	98.8	Very high	96.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.2	170.4	-174.3	0	0	0	0	110.6	F64 F72 L74 F245 R246 L247 L291 P310 L311 V312	F64-V294 HydrophobicContact CE1-CB 3.98Å; F64-V294 HydrophobicContact CE1-CG1 3.8Å; F64-V294 HydrophobicContact CE1-CG2 4.08Å; F64-V294 HydrophobicContact CZ-CB 4.49Å; F64-V294 HydrophobicContact CZ-CG1 3.83Å; F72-V294 HydrophobicContact CE1-CG1 4.34Å; L74-V294 HydrophobicContact CD2-CG2 3.77Å; F245-V294 HydrophobicContact CB-CG1 4.23Å; F245-V294 HydrophobicContact CD1-CG1 4.44Å; R246-V294 WeakPolarHBondContact O-CA 3.45Å; L247-V294 HydrophobicContact CD1-CG1 4.47Å; L247-V294 HydrophobicContact CG-CG2 4.2Å; L291-V294 HydrophobicContact CD1-CG2 4.12Å; L291-V294 HydrophobicContact CD2-CG2 3.93Å; L291-V294 HydrophobicContact CG-CG2 4.46Å; V294-P310 CarbonylContact O-C 3.57Å; V294-P310 WeakPolarHBondContact O-CA 3.46Å; V294-P310 WeakPolarHBondContact O-CB 3.2Å; V294-L311 PolarHBondContact O-N 2.87Å; V294-V312 HydrophobicContact CB-CG1 3.87Å; V294-V312 HydrophobicContact CG2-CG1 3.81Å; V294-V312 PolarHBondContact N-O 3.4Å
295	W	98.6	Very high	96	Very high	86 Å²	86	48.7 Å²	48.7	33%	0.326	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.5	178	-67.6	81.6	0	0	0	110.8	F245 R246 T297 P310	F245-W295 CarbonylContact C-O 3.53Å; F245-W295 WeakPolarHBondContact CA-O 3.22Å; R246-W295 HydrophobicContact CB-CB 4.45Å; R246-W295 PolarHBondContact N-O 2.97Å; R246-W295 PolarHBondContact O-N 3.03Å; W295-T297 HydrophobicContact CB-CG2 4.15Å; W295-P310 HydrophobicContact CD2-CB 4.1Å; W295-P310 HydrophobicContact CG-CB 4.45Å; W295-P310 HydrophobicContact CZ2-CB 4.08Å; W295-P310 HydrophobicContact CZ2-CG 4.14Å
296	L	98.2	Very high	96.1	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.037	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	115	162.3	-180	64	0	0	0	107.9	L66 R243 F245 H298 D299 L306 P307 L311	L66-L296 HydrophobicContact CD1-CD2 4.27Å; R243-L296 HydrophobicContact CB-CD1 3.92Å; R243-L296 HydrophobicContact CG-CD1 4.35Å; F245-L296 HydrophobicContact CD1-CD1 4.07Å; F245-L296 HydrophobicContact CE1-CD1 3.75Å; F245-L296 HydrophobicContact CZ-CD1 4.05Å; L296-H298 WeakPolarHBondContact CD1-O 3.43Å; L296-D299 HydrophobicContact CD2-CB 4.23Å; L296-L306 HydrophobicContact CD2-CD2 4.42Å; L296-L306 HydrophobicContact CG-CD2 4.21Å; L296-P307 HydrophobicContact CB-CG 4.28Å; L296-P307 HydrophobicContact CD2-CG 4.17Å; L296-L311 HydrophobicContact CB-CD1 4.17Å; L296-L311 HydrophobicContact CB-CG 4.48Å
297	T	97.9	Very high	96	Very high	65 Å²	65	44.8 Å²	44.8	40%	0.399	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-15.3	-174	55.9	0	0	0	0	113.6	Q244 R246 W295 L306	Q244-T297 PolarHBondContact O-N 3.05Å; Q244-T297 PolarHBondContact O-OG1 2.92Å; Q244-T297 VanDerWaalsContact O-OG1 3.13Å; R246-T297 HydrophobicContact CB-CG2 3.63Å; W295-T297 HydrophobicContact CB-CG2 4.15Å; T297-L306 VanDerWaalsContact O-CD1 3.28Å; T297-L306 WeakPolarHBondContact O-CD1 3.49Å
298	H	98.2	Very high	96.1	Very high	72 Å²	72	45.6 Å²	45.6	33%	0.333	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	132.1	173.3	179	71.9	0	0	0	109.3	R243 Q244 L296	R243-H298 WeakPolarHBondContact CA-O 3.35Å; Q244-H298 HydrophobicContact CB-CB 3.85Å; Q244-H298 HydrophobicContact CG-CB 3.94Å; Q244-H298 PolarHBondContact N-O 3.48Å; Q244-H298 PolarHBondContact O-N 3.06Å; L296-H298 WeakPolarHBondContact CD1-O 3.43Å
299	D	97.7	Very high	96.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	27%	0.268	C	S	.	.			trans	-133.1	114.9	173.9	-171	-58.7	0	0	0	108	R243 L296 E301 Y302 P303 L306 Y536	R243-D299 WeakPolarHBondContact CD-OD2 3.35Å; L296-D299 HydrophobicContact CD2-CB 4.23Å; D299-E301 PolarHBondContact O-N 3.18Å; D299-E301 WeakPolarHBondContact OD1-CA 3.1Å; D299-E301 WeakPolarHBondContact OD1-CB 3.25Å; D299-E301 PolarHBondContact OD1-N 2.77Å; D299-Y302 CarbonylContact O-C 3.5Å; D299-Y302 VanDerWaalsContact O-C 3.26Å; D299-Y302 PolarHBondContact O-N 2.75Å; D299-Y302 WeakPolarHBondContact OD1-CD2 3.33Å; D299-Y302 PolarHBondContact OD1-N 2.76Å; D299-P303 VanDerWaalsContact O-CA 3.23Å; D299-P303 WeakPolarHBondContact O-CA 3.46Å; D299-L306 HydrophobicContact CB-CD2 3.72Å; D299-Y536 PolarHBondContact OD1-OH 3.12Å; D299-Y536 PolarHBondContact OD2-OH 3.03Å
300	P	96.5	Very high	96.2	Very high	51 Å²	51	48.5 Å²	48.5	33%	0.331	27%	0.274	S	S	.	.	S	Bend	trans	-68.9	-17.9	-176.9	-19	28.5	0	0	0	115	R535	P300-R535 VanDerWaalsContact CB-CZ 3.44Å; P300-R535 VanDerWaalsContact CD-NH1 3.3Å
301	E	94	Very high	96.2	Very high	64 Å²	64	49 Å²	49	30%	0.299	28%	0.276	S	S	.	.	S	Bend	trans	-89.5	-31.9	174	-162.9	168.9	136.4	0	0	111.5	D299 P303 R535 Y536	D299-E301 PolarHBondContact O-N 3.18Å; D299-E301 WeakPolarHBondContact OD1-CA 3.1Å; D299-E301 WeakPolarHBondContact OD1-CB 3.25Å; D299-E301 PolarHBondContact OD1-N 2.77Å; E301-P303 WeakPolarHBondContact O-CD 3.29Å; E301-R535 WeakPolarHBondContact OE2-CD 3.43Å; E301-R535 WeakPolarHBondContact OE2-CG 3.39Å; E301-Y536 HydrophobicContact CB-CE2 3.59Å; E301-Y536 WeakPolarHBondContact CB-OH 3.39Å; E301-Y536 HydrophobicContact CG-CE2 4.19Å; E301-Y536 WeakPolarHBondContact OE2-CD2 3.31Å; E301-Y536 WeakPolarHBondContact OE2-CE2 3.4Å
302	Y	93.4	Very high	96.2	Very high	48 Å²	48	49 Å²	49	19%	0.188	28%	0.276	C	S	.	.	S	Bend	trans	-123.6	56.1	-177.5	-55.4	-77.4	0	0	0	112.5	D299 E304 N305 Y536 Y554 R556	D299-Y302 CarbonylContact O-C 3.5Å; D299-Y302 VanDerWaalsContact O-C 3.26Å; D299-Y302 PolarHBondContact O-N 2.75Å; D299-Y302 WeakPolarHBondContact OD1-CD2 3.33Å; D299-Y302 PolarHBondContact OD1-N 2.76Å; Y302-E304 VanDerWaalsContact C-N 3.28Å; Y302-E304 PolarHBondContact O-N 2.92Å; Y302-N305 PolarHBondContact O-N 2.87Å; Y302-N305 VanDerWaalsContact O-N 3.13Å; Y302-Y536 HydrophobicContact CD2-CE2 4.48Å; Y302-Y536 HydrophobicContact CE2-CE2 4.12Å; Y302-Y554 PolarHBondContact OH-O 2.86Å; Y302-R556 HydrophobicContact CD1-CB 4.23Å; Y302-R556 HydrophobicContact CD2-CB 3.8Å; Y302-R556 HydrophobicContact CE2-CB 4.16Å; Y302-R556 HydrophobicContact CG-CB 3.88Å
303	P	93.9	Very high	96.2	Very high	70 Å²	70	51.7 Å²	51.7	46%	0.455	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-34	-170.5	23.5	-34.1	0	0	0	113.5	D299 E301	D299-P303 VanDerWaalsContact O-CA 3.23Å; D299-P303 WeakPolarHBondContact O-CA 3.46Å; E301-P303 WeakPolarHBondContact O-CD 3.29Å
304	E	93.5	Very high	96.2	Very high	184 Å²	184	51.4 Å²	51.4	86%	0.86	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-0	-179	-57.5	-58.3	149.7	0	0	113.5	Y302	Y302-E304 VanDerWaalsContact C-N 3.28Å; Y302-E304 PolarHBondContact O-N 2.92Å
305	N	91.2	Very high	96.2	Very high	94 Å²	94	54.2 Å²	54.2	50%	0.503	30%	0.295	S	S	.	.			trans	-124.3	45.9	-173.5	-169	13.3	0	0	0	112.9	Y302 R556	Y302-N305 PolarHBondContact O-N 2.87Å; Y302-N305 VanDerWaalsContact O-N 3.13Å; N305-R556 VanDerWaalsContact O-CD 3.31Å; N305-R556 WeakPolarHBondContact O-CD 3.29Å; N305-R556 PolarHBondContact O-NH1 2.9Å
306	L	94.8	Very high	96.2	Very high	57 Å²	57	51.8 Å²	51.8	30%	0.298	29%	0.285	S	S	.	.			trans	-70.9	152.1	179	-60.7	177.1	0	0	0	112.6	L296 T297 D299 A308 R556	L296-L306 HydrophobicContact CD2-CD2 4.42Å; L296-L306 HydrophobicContact CG-CD2 4.21Å; T297-L306 VanDerWaalsContact O-CD1 3.28Å; T297-L306 WeakPolarHBondContact O-CD1 3.49Å; D299-L306 HydrophobicContact CB-CD2 3.72Å; L306-A308 PolarHBondContact O-N 3.08Å; L306-R556 PolarHBondContact O-NH1 3.1Å
307	P	94	Very high	96.1	Very high	13 Å²	13	52.8 Å²	52.8	8%	0.084	29%	0.292	C	S	.	.			trans	-56.8	128.6	174	-26.1	35.8	0	0	0	112.8	L296 A309 L311 R556 F557	L296-P307 HydrophobicContact CB-CG 4.28Å; L296-P307 HydrophobicContact CD2-CG 4.17Å; P307-A309 WeakPolarHBondContact CB-O 3.31Å; P307-A309 PolarHBondContact O-N 2.99Å; P307-L311 HydrophobicContact CG-CD2 4.15Å; P307-R556 VanDerWaalsContact N-NH1 3.12Å; P307-F557 HydrophobicContact CB-CE1 4.32Å; P307-F557 HydrophobicContact CB-CZ 4.38Å; P307-F557 HydrophobicContact CG-CE1 3.7Å; P307-F557 HydrophobicContact CG-CZ 4.09Å
308	A	92.9	Very high	95.8	Very high	99 Å²	99	52.7 Å²	52.7	82%	0.818	29%	0.292	S	S	*	.	S	Bend	trans	-75.5	-13.3	175.9	0	0	0	0	0	113.4	L306	L306-A308 PolarHBondContact O-N 3.08Å
309	A	96	Very high	95.6	Very high	46 Å²	46	52.5 Å²	52.5	38%	0.38	29%	0.289	S	S	.	.	S	Bend	trans	-121.6	155.7	178.4	0	0	0	0	0	109.7	P307	P307-A309 WeakPolarHBondContact CB-O 3.31Å; P307-A309 PolarHBondContact O-N 2.99Å
310	P	98	Very high	95.5	Very high	29 Å²	29	52.5 Å²	52.5	19%	0.188	29%	0.289	C	S	.	.			trans	-62.3	150.6	174.8	27.8	-33.8	0	0	0	110.7	A293 V294 W295 V312 R328	A293-P310 HydrophobicContact CB-CB 3.97Å; A293-P310 HydrophobicContact CB-CG 4.47Å; V294-P310 CarbonylContact O-C 3.57Å; V294-P310 WeakPolarHBondContact O-CA 3.46Å; V294-P310 WeakPolarHBondContact O-CB 3.2Å; W295-P310 HydrophobicContact CD2-CB 4.1Å; W295-P310 HydrophobicContact CG-CB 4.45Å; W295-P310 HydrophobicContact CZ2-CB 4.08Å; W295-P310 HydrophobicContact CZ2-CG 4.14Å; P310-V312 PolarHBondContact O-N 2.77Å; P310-R328 WeakPolarHBondContact O-CA 3.26Å
311	L	98	Very high	95.5	Very high	9 Å²	9	50.1 Å²	50.1	5%	0.047	27%	0.273	C	S	.	.	S	Bend	trans	-67.2	-29.2	176.2	-62.5	-179	0	0	0	112.1	F64 L66 F245 V294 L296 P307 R328 F557	F64-L311 HydrophobicContact CD1-CB 4.49Å; F64-L311 HydrophobicContact CD2-CB 4.32Å; F64-L311 HydrophobicContact CD2-CD1 3.83Å; F64-L311 HydrophobicContact CE2-CD1 3.71Å; F64-L311 HydrophobicContact CG-CB 4.2Å; F64-L311 HydrophobicContact CG-CD1 4.5Å; F64-L311 HydrophobicContact CZ-CD1 4.25Å; L66-L311 HydrophobicContact CD1-CD1 4.22Å; F245-L311 HydrophobicContact CD1-CD1 3.96Å; F245-L311 HydrophobicContact CE1-CD1 3.82Å; V294-L311 PolarHBondContact O-N 2.87Å; L296-L311 HydrophobicContact CB-CD1 4.17Å; L296-L311 HydrophobicContact CB-CG 4.48Å; P307-L311 HydrophobicContact CG-CD2 4.15Å; L311-R328 WeakPolarHBondContact O-CB 3.27Å; L311-R328 PolarHBondContact O-N 2.95Å; L311-F557 HydrophobicContact CD2-CE1 4.06Å
312	V	98.6	Very high	95.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	150.3	177.5	62	0	0	0	0	109.5	D63 F64 L74 A293 V294 P310 Y314 V325 Y326	D63-V312 HydrophobicContact CB-CG2 3.95Å; F64-V312 HydrophobicContact CD1-CB 4.31Å; F64-V312 HydrophobicContact CD1-CG1 3.63Å; F64-V312 HydrophobicContact CE1-CG1 4.11Å; L74-V312 HydrophobicContact CD2-CG1 4.19Å; A293-V312 VanDerWaalsContact CA-O 3.28Å; A293-V312 WeakPolarHBondContact CA-O 3.41Å; V294-V312 HydrophobicContact CB-CG1 3.87Å; V294-V312 HydrophobicContact CG2-CG1 3.81Å; V294-V312 PolarHBondContact N-O 3.4Å; P310-V312 PolarHBondContact O-N 2.77Å; V312-Y314 HydrophobicContact CB-CE2 4.42Å; V312-Y314 HydrophobicContact CG1-CE2 3.77Å; V312-Y314 HydrophobicContact CG2-CE1 4Å; V312-Y314 HydrophobicContact CG2-CE2 3.83Å; V312-Y314 VanDerWaalsContact CG2-CZ 3.49Å; V312-Y314 WeakPolarHBondContact CG2-OH 3.39Å; V312-V325 HydrophobicContact CG2-CG1 3.96Å; V312-Y326 WeakPolarHBondContact CA-O 3.38Å; V312-Y326 VanDerWaalsContact CG2-O 3.27Å; V312-Y326 WeakPolarHBondContact CG2-O 3.14Å
313	R	98.5	Very high	95.9	Very high	81 Å²	81	45.6 Å²	45.6	31%	0.306	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154.5	172.6	-176.7	179.1	61.5	75.1	0.7	111.2	S292 D315 Y326	S292-R313 CarbonylContact O-C 3.53Å; S292-R313 VanDerWaalsContact O-CA 3.3Å; S292-R313 WeakPolarHBondContact O-CA 3.28Å; S292-R313 VanDerWaalsContact O-CG 3.28Å; S292-R313 WeakPolarHBondContact O-CG 3.49Å; R313-D315 IonicContact NH1-OD1 2.76Å; R313-D315 PolarHBondContact NH1-OD1 2.73Å; R313-D315 IonicContact NH1-OD2 3.18Å; R313-D315 PolarHBondContact NH1-OD2 2.74Å; R313-Y326 VanDerWaalsContact CZ-CD2 3.49Å; R313-Y326 PolarHBondContact N-O 2.95Å; R313-Y326 VanDerWaalsContact NH2-CE1 3.32Å; R313-Y326 PolarHBondContact O-N 3.07Å
314	Y	98.7	Very high	96.2	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	143.4	-178.9	-54.1	-84.4	0	0	0	111.5	D63 L74 F92 L291 S292 V312 W316 L322 A324 V325	D63-Y314 WeakPolarHBondContact CB-OH 3.44Å; D63-Y314 WeakPolarHBondContact OD2-CE1 3.44Å; D63-Y314 PolarHBondContact OD2-OH 3.29Å; L74-Y314 HydrophobicContact CD2-CE2 4.41Å; L74-Y314 WeakPolarHBondContact CD2-OH 3.42Å; F92-Y314 HydrophobicContact CD1-CE1 4.42Å; F92-Y314 HydrophobicContact CE1-CD1 4.15Å; F92-Y314 AromaticContact CE1-CE1 3.57Å; F92-Y314 HydrophobicContact CE1-CE1 3.57Å; F92-Y314 HydrophobicContact CE1-CE2 4.1Å; F92-Y314 AromaticContact CE1-CZ 3.52Å; F92-Y314 HydrophobicContact CZ-CE1 4.41Å; L291-Y314 HydrophobicContact CB-CD2 4.41Å; L291-Y314 HydrophobicContact CD2-CD2 3.98Å; L291-Y314 HydrophobicContact CD2-CE2 3.46Å; L291-Y314 VanDerWaalsContact CD2-CE2 3.46Å; L291-Y314 HydrophobicContact CG-CD2 3.86Å; L291-Y314 HydrophobicContact CG-CE2 3.85Å; L291-Y314 WeakPolarHBondContact O-CB 3.32Å; S292-Y314 PolarHBondContact O-N 2.91Å; V312-Y314 HydrophobicContact CB-CE2 4.42Å; V312-Y314 HydrophobicContact CG1-CE2 3.77Å; V312-Y314 HydrophobicContact CG2-CE1 4Å; V312-Y314 HydrophobicContact CG2-CE2 3.83Å; V312-Y314 VanDerWaalsContact CG2-CZ 3.49Å; V312-Y314 WeakPolarHBondContact CG2-OH 3.39Å; Y314-W316 HydrophobicContact CG-CZ2 4.47Å; Y314-L322 HydrophobicContact CD1-CD1 3.83Å; Y314-L322 HydrophobicContact CG-CD1 4.34Å; Y314-A324 WeakPolarHBondContact CA-O 3.46Å; Y314-V325 HydrophobicContact CD1-CB 4.29Å; Y314-V325 HydrophobicContact CD1-CG1 4.12Å; Y314-V325 HydrophobicContact CD1-CG2 3.86Å; Y314-V325 HydrophobicContact CE1-CB 4.3Å; Y314-V325 HydrophobicContact CE1-CG1 3.72Å; Y314-V325 HydrophobicContact CE1-CG2 3.89Å
315	D	97.9	Very high	96.4	Very high	59 Å²	59	33.8 Å²	33.8	32%	0.316	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	153.1	170.5	-70.3	-24.8	0	0	0	111	R313 A323 A324 Y326	R313-D315 IonicContact NH1-OD1 2.76Å; R313-D315 PolarHBondContact NH1-OD1 2.73Å; R313-D315 IonicContact NH1-OD2 3.18Å; R313-D315 PolarHBondContact NH1-OD2 2.74Å; D315-A323 WeakPolarHBondContact O-CA 3.4Å; D315-A323 WeakPolarHBondContact O-CB 3.37Å; D315-A323 PolarHBondContact O-N 3.12Å; D315-A324 HydrophobicContact CB-CB 4.35Å; D315-A324 PolarHBondContact N-O 2.89Å; D315-A324 PolarHBondContact O-N 3.38Å; D315-Y326 HydrophobicContact CB-CE2 4.07Å; D315-Y326 WeakPolarHBondContact OD2-CE2 3.34Å; D315-Y326 VanDerWaalsContact OD2-CZ 3.24Å; D315-Y326 PolarHBondContact OD2-OH 2.93Å
316	W	97.5	Very high	96.8	Very high	34 Å²	34	30.8 Å²	30.8	13%	0.129	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.1	-167.2	-59.3	94.7	0	0	0	111	I91 F92 R290 L291 Y314 E321 L322	I91-W316 WeakPolarHBondContact O-CH2 3.11Å; F92-W316 HydrophobicContact CD1-CH2 4.42Å; F92-W316 WeakPolarHBondContact O-CH2 3.3Å; F92-W316 VanDerWaalsContact O-CZ3 3.31Å; F92-W316 WeakPolarHBondContact O-CZ3 3.4Å; R290-W316 HydrophobicContact CB-CD2 3.65Å; R290-W316 VanDerWaalsContact CB-CE2 3.41Å; R290-W316 HydrophobicContact CB-CE3 4.09Å; R290-W316 HydrophobicContact CB-CG 4.17Å; R290-W316 HydrophobicContact CB-CH2 4.24Å; R290-W316 HydrophobicContact CB-CZ2 3.75Å; R290-W316 HydrophobicContact CB-CZ3 4.37Å; R290-W316 VanDerWaalsContact CD-CZ3 3.48Å; R290-W316 HydrophobicContact CG-CD2 3.69Å; R290-W316 HydrophobicContact CG-CE3 3.71Å; R290-W316 HydrophobicContact CG-CG 4.25Å; R290-W316 HydrophobicContact CG-CH2 4.42Å; R290-W316 HydrophobicContact CG-CZ2 4.36Å; R290-W316 HydrophobicContact CG-CZ3 4.08Å; L291-W316 VanDerWaalsContact O-CE2 3.29Å; L291-W316 WeakPolarHBondContact O-CZ2 3.42Å; L291-W316 PolarHBondContact O-NE1 2.93Å; Y314-W316 HydrophobicContact CG-CZ2 4.47Å; W316-E321 CarbonylContact C-O 3.54Å; W316-E321 WeakPolarHBondContact CA-O 3.47Å; W316-L322 HydrophobicContact CE3-CB 4.17Å; W316-L322 HydrophobicContact CH2-CB 3.84Å; W316-L322 HydrophobicContact CH2-CD1 3.73Å; W316-L322 HydrophobicContact CH2-CG 4.23Å; W316-L322 HydrophobicContact CZ2-CD1 4Å; W316-L322 HydrophobicContact CZ3-CB 3.47Å; W316-L322 VanDerWaalsContact CZ3-CB 3.47Å; W316-L322 HydrophobicContact CZ3-CD1 4.06Å; W316-L322 HydrophobicContact CZ3-CG 4.3Å
317	T	96.1	Very high	96.8	Very high	29 Å²	29	29.3 Å²	29.3	18%	0.178	17%	0.17	C	C	.	.			trans	-67.2	161.8	170.2	72.9	0	0	0	0	110.1	R319 G320 E321 A323 Y338	T317-R319 PolarHBondContact O-N 3.19Å; T317-R319 PolarHBondContact OG1-N 3.21Å; T317-G320 PolarHBondContact O-N 3.3Å; T317-E321 HydrophobicContact CG2-CB 4.05Å; T317-E321 PolarHBondContact N-O 2.78Å; T317-E321 WeakPolarHBondContact OG1-CB 3.31Å; T317-E321 PolarHBondContact OG1-N 3Å; T317-E321 PolarHBondContact OG1-OE2 2.68Å; T317-A323 HydrophobicContact CG2-CB 3.88Å; T317-Y338 HydrophobicContact CG2-CD2 4.34Å
318	P	93.2	Very high	96.9	Very high	62 Å²	62	31.3 Å²	31.3	40%	0.403	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-25.9	171.7	-29.9	37.7	0	0	0	113.9	Q252 I273 G320	Q252-P318 PolarHBondContact NE2-O 2.75Å; I273-P318 HydrophobicContact CB-CB 4.5Å; I273-P318 HydrophobicContact CG1-CB 4.04Å; I273-P318 HydrophobicContact CG1-CG 4.21Å; I273-P318 HydrophobicContact CG2-CB 4.34Å; P318-G320 VanDerWaalsContact C-N 3.31Å
319	R	93.1	Very high	97	Very high	69 Å²	69	28.8 Å²	28.8	26%	0.26	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	12.6	176.5	-56.5	-175.2	-56.5	178.8	3.2	113.1	T317 E321 D339 D340 R343	T317-R319 PolarHBondContact O-N 3.19Å; T317-R319 PolarHBondContact OG1-N 3.21Å; R319-E321 VanDerWaalsContact C-N 3.34Å; R319-E321 IonicContact CZ-OE2 3.16Å; R319-E321 IonicContact NE-OE2 3.11Å; R319-E321 PolarHBondContact NE-OE2 3.13Å; R319-E321 VanDerWaalsContact NE-OE2 3.08Å; R319-E321 IonicContact NH2-OE1 2.69Å; R319-E321 PolarHBondContact NH2-OE1 3.39Å; R319-E321 IonicContact NH2-OE2 2.82Å; R319-E321 PolarHBondContact NH2-OE2 2.91Å; R319-E321 PolarHBondContact O-N 3.24Å; R319-D339 VanDerWaalsContact CZ-O 3.31Å; R319-D339 PolarHBondContact NH1-O 3.01Å; R319-D339 PolarHBondContact NH2-O 3.36Å; R319-D340 VanDerWaalsContact NH1-CA 3.27Å; R319-D340 PolarHBondContact NH1-O 3.08Å; R319-R343 PolarHBondContact O-NE 3.21Å; R319-R343 PolarHBondContact O-NH2 2.88Å
320	G	94.9	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	64.9	32.4	178.6	0	0	0	0	0	114.1	R290 T317 P318	R290-G320 VanDerWaalsContact CZ-O 3.29Å; R290-G320 PolarHBondContact NE-O 2.8Å; R290-G320 PolarHBondContact NH2-O 2.74Å; T317-G320 PolarHBondContact O-N 3.3Å; P318-G320 VanDerWaalsContact C-N 3.31Å
321	E	97.3	Very high	96.8	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.009	16%	0.16	C	C	.	.			trans	-97.8	148	171.9	-56.1	160.8	122.6	0	0	108.9	P94 W316 T317 R319 A323 Y338 R343 G344	P94-E321 HydrophobicContact CG-CG 4.23Å; W316-E321 CarbonylContact C-O 3.54Å; W316-E321 WeakPolarHBondContact CA-O 3.47Å; T317-E321 HydrophobicContact CG2-CB 4.05Å; T317-E321 PolarHBondContact N-O 2.78Å; T317-E321 WeakPolarHBondContact OG1-CB 3.31Å; T317-E321 PolarHBondContact OG1-N 3Å; T317-E321 PolarHBondContact OG1-OE2 2.68Å; R319-E321 VanDerWaalsContact C-N 3.34Å; R319-E321 IonicContact CZ-OE2 3.16Å; R319-E321 IonicContact NE-OE2 3.11Å; R319-E321 PolarHBondContact NE-OE2 3.13Å; R319-E321 VanDerWaalsContact NE-OE2 3.08Å; R319-E321 IonicContact NH2-OE1 2.69Å; R319-E321 PolarHBondContact NH2-OE1 3.39Å; R319-E321 IonicContact NH2-OE2 2.82Å; R319-E321 PolarHBondContact NH2-OE2 2.91Å; R319-E321 PolarHBondContact O-N 3.24Å; E321-A323 PolarHBondContact O-N 2.77Å; E321-A323 VanDerWaalsContact O-N 3.09Å; E321-Y338 HydrophobicContact CB-CD1 4.32Å; E321-Y338 HydrophobicContact CB-CD2 3.58Å; E321-Y338 HydrophobicContact CB-CE1 4.3Å; E321-Y338 HydrophobicContact CB-CE2 3.57Å; E321-Y338 HydrophobicContact CB-CG 3.99Å; E321-Y338 HydrophobicContact CG-CD2 4.29Å; E321-Y338 HydrophobicContact CG-CG 4.23Å; E321-Y338 WeakPolarHBondContact OE1-CB 3.32Å; E321-R343 HydrophobicContact CG-CG 4.27Å; E321-G344 PolarHBondContact OE1-N 3.3Å
322	L	98.3	Very high	96.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	109.6	-177.3	175.6	54.5	0	0	0	110.5	F92 W96 Y314 W316 A324 V325 F336 Y338	F92-L322 HydrophobicContact CD1-CD2 4.14Å; W96-L322 HydrophobicContact CD2-CD2 4.39Å; W96-L322 HydrophobicContact CZ2-CD2 4.47Å; Y314-L322 HydrophobicContact CD1-CD1 3.83Å; Y314-L322 HydrophobicContact CG-CD1 4.34Å; W316-L322 HydrophobicContact CE3-CB 4.17Å; W316-L322 HydrophobicContact CH2-CB 3.84Å; W316-L322 HydrophobicContact CH2-CD1 3.73Å; W316-L322 HydrophobicContact CH2-CG 4.23Å; W316-L322 HydrophobicContact CZ2-CD1 4Å; W316-L322 HydrophobicContact CZ3-CB 3.47Å; W316-L322 VanDerWaalsContact CZ3-CB 3.47Å; W316-L322 HydrophobicContact CZ3-CD1 4.06Å; W316-L322 HydrophobicContact CZ3-CG 4.3Å; L322-A324 WeakPolarHBondContact CD1-O 3.43Å; L322-V325 HydrophobicContact CD1-CG2 4.47Å; L322-V325 HydrophobicContact CD2-CG2 4.36Å; L322-F336 HydrophobicContact CD2-CE2 4.41Å; L322-F336 HydrophobicContact CG-CD2 4.17Å; L322-F336 HydrophobicContact CG-CE2 4.34Å; L322-F336 WeakPolarHBondContact O-CB 3.49Å; L322-F336 WeakPolarHBondContact O-CD2 3.41Å; L322-Y338 WeakPolarHBondContact O-CE2 3.15Å; L322-Y338 PolarHBondContact O-OH 3.3Å
323	A	98.3	Very high	96.7	Very high	16 Å²	16	34.7 Å²	34.7	13%	0.132	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-42.7	-175	0	0	0	0	0	112.4	D315 T317 E321 H335 F336	D315-A323 WeakPolarHBondContact O-CA 3.4Å; D315-A323 WeakPolarHBondContact O-CB 3.37Å; D315-A323 PolarHBondContact O-N 3.12Å; T317-A323 HydrophobicContact CG2-CB 3.88Å; E321-A323 PolarHBondContact O-N 2.77Å; E321-A323 VanDerWaalsContact O-N 3.09Å; A323-H335 CarbonylContact O-C 3.51Å; A323-H335 VanDerWaalsContact O-CA 3.3Å; A323-H335 WeakPolarHBondContact O-CA 3.39Å; A323-H335 PolarHBondContact O-ND1 3.13Å; A323-F336 PolarHBondContact O-N 3.41Å
324	A	98.6	Very high	96.6	Very high	2 Å²	2	31 Å²	31	2%	0.017	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	154.1	-176.4	0	0	0	0	0	113	Y314 D315 L322 Y326 Q332 R334	Y314-A324 WeakPolarHBondContact CA-O 3.46Å; D315-A324 HydrophobicContact CB-CB 4.35Å; D315-A324 PolarHBondContact N-O 2.89Å; D315-A324 PolarHBondContact O-N 3.38Å; L322-A324 WeakPolarHBondContact CD1-O 3.43Å; A324-Y326 HydrophobicContact CB-CE2 3.66Å; A324-Q332 HydrophobicContact CB-CG 3.98Å; A324-R334 VanDerWaalsContact CA-O 3.25Å; A324-R334 WeakPolarHBondContact CA-O 3.18Å
325	V	98.6	Very high	96.6	Very high	4 Å²	4	33 Å²	33	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.3	174.7	-176.3	0	0	0	0	108.1	D63 V312 Y314 L322 Q332 M333 R334 F336	D63-V325 HydrophobicContact CB-CG1 4.31Å; V312-V325 HydrophobicContact CG2-CG1 3.96Å; Y314-V325 HydrophobicContact CD1-CB 4.29Å; Y314-V325 HydrophobicContact CD1-CG1 4.12Å; Y314-V325 HydrophobicContact CD1-CG2 3.86Å; Y314-V325 HydrophobicContact CE1-CB 4.3Å; Y314-V325 HydrophobicContact CE1-CG1 3.72Å; Y314-V325 HydrophobicContact CE1-CG2 3.89Å; L322-V325 HydrophobicContact CD1-CG2 4.47Å; L322-V325 HydrophobicContact CD2-CG2 4.36Å; V325-Q332 CarbonylContact O-C 3.51Å; V325-M333 PolarHBondContact O-N 3.16Å; V325-R334 HydrophobicContact CB-CB 4.06Å; V325-R334 HydrophobicContact CB-CG 4.49Å; V325-R334 HydrophobicContact CG2-CB 4.07Å; V325-R334 PolarHBondContact N-O 3.01Å; V325-R334 VanDerWaalsContact N-O 3.11Å; V325-R334 PolarHBondContact O-N 2.66Å; V325-F336 HydrophobicContact CG2-CE2 4.08Å
326	Y	98.4	Very high	96.6	Very high	31 Å²	31	30.3 Å²	30.3	12%	0.122	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.9	178.9	-57.9	-97.9	0	0	0	110	V312 R313 D315 A324 G330 T331 Q332	V312-Y326 WeakPolarHBondContact CA-O 3.38Å; V312-Y326 VanDerWaalsContact CG2-O 3.27Å; V312-Y326 WeakPolarHBondContact CG2-O 3.14Å; R313-Y326 VanDerWaalsContact CZ-CD2 3.49Å; R313-Y326 PolarHBondContact N-O 2.95Å; R313-Y326 VanDerWaalsContact NH2-CE1 3.32Å; R313-Y326 PolarHBondContact O-N 3.07Å; D315-Y326 HydrophobicContact CB-CE2 4.07Å; D315-Y326 WeakPolarHBondContact OD2-CE2 3.34Å; D315-Y326 VanDerWaalsContact OD2-CZ 3.24Å; D315-Y326 PolarHBondContact OD2-OH 2.93Å; A324-Y326 HydrophobicContact CB-CE2 3.66Å; Y326-G330 WeakPolarHBondContact CD1-O 3.32Å; Y326-T331 VanDerWaalsContact CA-O 3.22Å; Y326-T331 WeakPolarHBondContact CA-O 3.44Å; Y326-Q332 HydrophobicContact CD1-CB 3.81Å; Y326-Q332 HydrophobicContact CD1-CG 4.29Å; Y326-Q332 HydrophobicContact CE1-CB 3.51Å; Y326-Q332 HydrophobicContact CE1-CG 3.81Å; Y326-Q332 PolarHBondContact OH-OE1 3.37Å
327	D	96.3	Very high	96.7	Very high	27 Å²	27	31.1 Å²	31.1	14%	0.144	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	177.6	173.8	67.5	22.1	0	0	0	111.7	S329 G330 T331 M333 R578	D327-S329 PolarHBondContact O-N 2.91Å; D327-S329 VanDerWaalsContact O-N 3.1Å; D327-S329 WeakPolarHBondContact OD1-CA 3.3Å; D327-S329 VanDerWaalsContact OD1-CB 3.28Å; D327-S329 WeakPolarHBondContact OD1-CB 3.48Å; D327-S329 PolarHBondContact OD1-N 2.71Å; D327-S329 PolarHBondContact OD1-OG 3.04Å; D327-S329 PolarHBondContact OD2-OG 2.82Å; D327-G330 PolarHBondContact O-N 3.19Å; D327-G330 PolarHBondContact OD1-N 2.9Å; D327-T331 PolarHBondContact N-O 3.31Å; D327-T331 PolarHBondContact OD1-N 2.95Å; D327-T331 VanDerWaalsContact OD1-N 3.08Å; D327-M333 HydrophobicContact CB-CG 3.71Å; D327-M333 HydrophobicContact CB-SD 4.4Å; D327-M333 VanDerWaalsContact OD2-SD 3.38Å; D327-R578 WeakPolarHBondContact OD2-CG 3.21Å; D327-R578 IonicContact OD2-NE 3.11Å; D327-R578 PolarHBondContact OD2-NE 3.41Å
328	R	94.6	Very high	96.8	Very high	55 Å²	55	30.3 Å²	30.3	21%	0.208	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.7	178.2	73.1	-172.8	-176.1	-179.7	1.9	114.9	P310 L311 G330 F557 P577	P310-R328 WeakPolarHBondContact O-CA 3.26Å; L311-R328 WeakPolarHBondContact O-CB 3.27Å; L311-R328 PolarHBondContact O-N 2.95Å; R328-G330 VanDerWaalsContact C-N 3.29Å; R328-F557 VanDerWaalsContact NH1-CD1 3.28Å; R328-P577 WeakPolarHBondContact CG-O 3.21Å; R328-P577 PolarHBondContact NE-O 3.45Å
329	S	95	Very high	96.9	Very high	45 Å²	45	29 Å²	29	32%	0.315	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-10.8	173.8	79.4	0	0	0	0	112.6	D327 T331 R578	D327-S329 PolarHBondContact O-N 2.91Å; D327-S329 VanDerWaalsContact O-N 3.1Å; D327-S329 WeakPolarHBondContact OD1-CA 3.3Å; D327-S329 VanDerWaalsContact OD1-CB 3.28Å; D327-S329 WeakPolarHBondContact OD1-CB 3.48Å; D327-S329 PolarHBondContact OD1-N 2.71Å; D327-S329 PolarHBondContact OD1-OG 3.04Å; D327-S329 PolarHBondContact OD2-OG 2.82Å; S329-T331 WeakPolarHBondContact OG-CB 3.47Å; S329-T331 PolarHBondContact OG-N 3.38Å; S329-T331 PolarHBondContact OG-OG1 2.72Å; S329-R578 WeakPolarHBondContact OG-CG 3.44Å
330	G	95.5	Very high	96.8	Very high	44 Å²	44	32.9 Å²	32.9	45%	0.454	18%	0.184	S	C	.	.	S	Bend	trans	85.2	8.8	-170.9	0	0	0	0	0	113.7	Y326 D327 R328	Y326-G330 WeakPolarHBondContact CD1-O 3.32Å; D327-G330 PolarHBondContact O-N 3.19Å; D327-G330 PolarHBondContact OD1-N 2.9Å; R328-G330 VanDerWaalsContact C-N 3.29Å
331	T	96	Very high	96.7	Very high	46 Å²	46	40.3 Å²	40.3	28%	0.282	22%	0.216	S	C	.	.			trans	-80.9	132.4	178.9	-60.9	0	0	0	0	110.2	Y326 D327 S329 M333	Y326-T331 VanDerWaalsContact CA-O 3.22Å; Y326-T331 WeakPolarHBondContact CA-O 3.44Å; D327-T331 PolarHBondContact N-O 3.31Å; D327-T331 PolarHBondContact OD1-N 2.95Å; D327-T331 VanDerWaalsContact OD1-N 3.08Å; S329-T331 WeakPolarHBondContact OG-CB 3.47Å; S329-T331 PolarHBondContact OG-N 3.38Å; S329-T331 PolarHBondContact OG-OG1 2.72Å; T331-M333 HydrophobicContact CG2-SD 4.25Å; T331-M333 PolarHBondContact O-N 3.06Å; T331-M333 VanDerWaalsContact O-N 3.12Å
332	Q	97.2	Very high	96.4	Very high	66 Å²	66	42.9 Å²	42.9	31%	0.308	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	105.4	176.5	-166.9	-172.9	-83.5	0	0	110.7	A324 V325 Y326 A352	A324-Q332 HydrophobicContact CB-CG 3.98Å; V325-Q332 CarbonylContact O-C 3.51Å; Y326-Q332 HydrophobicContact CD1-CB 3.81Å; Y326-Q332 HydrophobicContact CD1-CG 4.29Å; Y326-Q332 HydrophobicContact CE1-CB 3.51Å; Y326-Q332 HydrophobicContact CE1-CG 3.81Å; Y326-Q332 PolarHBondContact OH-OE1 3.37Å; Q332-A352 VanDerWaalsContact O-CB 3.29Å; Q332-A352 WeakPolarHBondContact O-CB 3.43Å
333	M	96.9	Very high	96.1	Very high	54 Å²	54	44.4 Å²	44.4	27%	0.266	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-34.9	-177.7	-67.3	-51.2	-63.1	0	0	113.4	V325 D327 T331 Y351 A352 R578	V325-M333 PolarHBondContact O-N 3.16Å; D327-M333 HydrophobicContact CB-CG 3.71Å; D327-M333 HydrophobicContact CB-SD 4.4Å; D327-M333 VanDerWaalsContact OD2-SD 3.38Å; T331-M333 HydrophobicContact CG2-SD 4.25Å; T331-M333 PolarHBondContact O-N 3.06Å; T331-M333 VanDerWaalsContact O-N 3.12Å; M333-Y351 CarbonylContact O-C 3.53Å; M333-Y351 WeakPolarHBondContact O-CA 3.32Å; M333-A352 PolarHBondContact O-N 2.96Å; M333-A352 HydrophobicContact SD-CB 4.31Å; M333-R578 PolarHBondContact SD-NH2 3.46Å
334	R	97.1	Very high	95.9	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150.7	-178.4	-62	-63.5	-62.9	-112	6.5	111.2	E61 A324 V325 F336 H349 R350 Y351	E61-R334 WeakPolarHBondContact OE1-CD 3.32Å; E61-R334 IonicContact OE1-CZ 3.96Å; E61-R334 IonicContact OE1-NE 3.01Å; E61-R334 IonicContact OE1-NH1 2.89Å; E61-R334 PolarHBondContact OE1-NH1 3.36Å; E61-R334 IonicContact OE2-CZ 2.74Å; E61-R334 IonicContact OE2-NE 3.34Å; E61-R334 IonicContact OE2-NH1 2.77Å; E61-R334 PolarHBondContact OE2-NH1 2.88Å; A324-R334 VanDerWaalsContact CA-O 3.25Å; A324-R334 WeakPolarHBondContact CA-O 3.18Å; V325-R334 HydrophobicContact CB-CB 4.06Å; V325-R334 HydrophobicContact CB-CG 4.49Å; V325-R334 HydrophobicContact CG2-CB 4.07Å; V325-R334 PolarHBondContact N-O 3.01Å; V325-R334 VanDerWaalsContact N-O 3.11Å; V325-R334 PolarHBondContact O-N 2.66Å; R334-F336 HydrophobicContact CB-CE2 3.62Å; R334-F336 HydrophobicContact CB-CZ 3.52Å; R334-F336 HydrophobicContact CG-CZ 4.07Å; R334-H349 PolarHBondContact NH2-ND1 2.72Å; R334-R350 WeakPolarHBondContact CA-O 3.43Å; R334-Y351 VanDerWaalsContact CD-CD1 3.42Å; R334-Y351 PolarHBondContact NH1-OH 3.24Å
335	H	98.2	Very high	95.8	Very high	44 Å²	44	43.9 Å²	43.9	20%	0.204	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.2	169.2	-176.5	92	0	0	0	110.6	A323 H349 R350	A323-H335 CarbonylContact O-C 3.51Å; A323-H335 VanDerWaalsContact O-CA 3.3Å; A323-H335 WeakPolarHBondContact O-CA 3.39Å; A323-H335 PolarHBondContact O-ND1 3.13Å; H335-H349 CarbonylContact O-C 3.58Å; H335-H349 WeakPolarHBondContact O-CA 3.24Å; H335-H349 WeakPolarHBondContact O-CB 3.45Å; H335-R350 HydrophobicContact CB-CG 3.88Å; H335-R350 VanDerWaalsContact CD2-CZ 3.42Å; H335-R350 PolarHBondContact CD2-NH1 2.85Å; H335-R350 PolarHBondContact CD2-NH2 3.33Å; H335-R350 PolarHBondContact N-O 3.16Å; H335-R350 PolarHBondContact O-N 2.74Å
336	F	98.3	Very high	95.7	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.013	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	142.5	-175.8	-51.6	-78.6	0	0	0	111.6	L58 W96 L322 A323 V325 R334 Y338 M346 H349	L58-F336 HydrophobicContact CD1-CE1 3.92Å; W96-F336 HydrophobicContact CH2-CD1 4.14Å; W96-F336 AromaticContact CH2-CE1 3.59Å; W96-F336 HydrophobicContact CH2-CE1 3.59Å; W96-F336 HydrophobicContact CH2-CE2 4.31Å; W96-F336 AromaticContact CH2-CZ 3.71Å; W96-F336 HydrophobicContact CH2-CZ 3.71Å; W96-F336 AromaticContact CZ2-CD1 3.77Å; W96-F336 HydrophobicContact CZ2-CD1 3.77Å; W96-F336 HydrophobicContact CZ2-CD2 4.19Å; W96-F336 AromaticContact CZ2-CE1 3.68Å; W96-F336 HydrophobicContact CZ2-CE1 3.68Å; W96-F336 HydrophobicContact CZ2-CE2 4.1Å; W96-F336 HydrophobicContact CZ2-CG 4.05Å; W96-F336 AromaticContact CZ2-CZ 3.88Å; W96-F336 HydrophobicContact CZ2-CZ 3.88Å; L322-F336 HydrophobicContact CD2-CE2 4.41Å; L322-F336 HydrophobicContact CG-CD2 4.17Å; L322-F336 HydrophobicContact CG-CE2 4.34Å; L322-F336 WeakPolarHBondContact O-CB 3.49Å; L322-F336 WeakPolarHBondContact O-CD2 3.41Å; A323-F336 PolarHBondContact O-N 3.41Å; V325-F336 HydrophobicContact CG2-CE2 4.08Å; R334-F336 HydrophobicContact CB-CE2 3.62Å; R334-F336 HydrophobicContact CB-CZ 3.52Å; R334-F336 HydrophobicContact CG-CZ 4.07Å; F336-Y338 HydrophobicContact CB-CE2 3.72Å; F336-M346 HydrophobicContact CB-CE 4.44Å; F336-M346 HydrophobicContact CD1-CE 3.36Å; F336-M346 HydrophobicContact CD1-SD 3.99Å; F336-M346 HydrophobicContact CE1-CE 3.95Å; F336-M346 HydrophobicContact CG-CE 4.15Å; F336-H349 HydrophobicContact CD1-CB 3.51Å; F336-H349 HydrophobicContact CE1-CB 3.85Å
337	T	98.3	Very high	95.7	Very high	51 Å²	51	43.9 Å²	43.9	31%	0.313	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.1	176.6	-49.3	0	0	0	0	108.9	M346 V347 A348	T337-M346 CarbonylContact O-C 3.6Å; T337-M346 WeakPolarHBondContact O-CA 3.38Å; T337-V347 HydrophobicContact CG2-CG2 3.96Å; T337-V347 PolarHBondContact O-N 3.34Å; T337-A348 PolarHBondContact N-O 3.29Å; T337-A348 PolarHBondContact O-N 2.82Å; T337-A348 VanDerWaalsContact O-N 3.09Å
338	Y	98	Very high	95.8	Very high	12 Å²	12	42.7 Å²	42.7	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	161	-173.7	-58.6	-92.7	0	0	0	112	W96 T317 E321 L322 F336 R345 M346	W96-Y338 AromaticContact NE1-CZ 3.94Å; W96-Y338 PolarHBondContact NE1-OH 3.02Å; T317-Y338 HydrophobicContact CG2-CD2 4.34Å; E321-Y338 HydrophobicContact CB-CD1 4.32Å; E321-Y338 HydrophobicContact CB-CD2 3.58Å; E321-Y338 HydrophobicContact CB-CE1 4.3Å; E321-Y338 HydrophobicContact CB-CE2 3.57Å; E321-Y338 HydrophobicContact CB-CG 3.99Å; E321-Y338 HydrophobicContact CG-CD2 4.29Å; E321-Y338 HydrophobicContact CG-CG 4.23Å; E321-Y338 WeakPolarHBondContact OE1-CB 3.32Å; L322-Y338 WeakPolarHBondContact O-CE2 3.15Å; L322-Y338 PolarHBondContact O-OH 3.3Å; F336-Y338 HydrophobicContact CB-CE2 3.72Å; Y338-R345 CarbonylContact C-O 3.41Å; Y338-R345 VanDerWaalsContact CA-O 3.27Å; Y338-R345 WeakPolarHBondContact CA-O 3.38Å; Y338-M346 HydrophobicContact CD1-CB 4.24Å; Y338-M346 HydrophobicContact CE1-CB 4.21Å
339	D	96.1	Very high	95.9	Very high	33 Å²	33	40.2 Å²	40.2	18%	0.176	21%	0.214	C	C	.	.			trans	-65.9	134.3	178.7	-171.1	-63	0	0	0	111.1	R319 K341 Y342 R345 V347	R319-D339 VanDerWaalsContact CZ-O 3.31Å; R319-D339 PolarHBondContact NH1-O 3.01Å; R319-D339 PolarHBondContact NH2-O 3.36Å; D339-K341 VanDerWaalsContact C-N 3.29Å; D339-K341 PolarHBondContact O-N 3.24Å; D339-K341 WeakPolarHBondContact OD1-CA 3.41Å; D339-K341 WeakPolarHBondContact OD1-CB 2.94Å; D339-K341 PolarHBondContact OD1-N 2.82Å; D339-Y342 PolarHBondContact OD1-N 3.08Å; D339-R345 HydrophobicContact CB-CB 3.94Å; D339-R345 HydrophobicContact CB-CG 4.31Å; D339-R345 WeakPolarHBondContact CB-O 3.28Å; D339-R345 PolarHBondContact N-O 3Å; D339-V347 HydrophobicContact CB-CG1 3.78Å
340	D	91.7	Very high	95.9	Very high	151 Å²	151	41.6 Å²	41.6	81%	0.807	21%	0.212	S	C	*	.	S	Bend	trans	-67.2	-29.4	-178.8	-70.5	-31.7	0	0	0	113.1	R319	R319-D340 VanDerWaalsContact NH1-CA 3.27Å; R319-D340 PolarHBondContact NH1-O 3.08Å
341	K	91.2	Very high	95.9	Very high	157 Å²	157	44.3 Å²	44.3	68%	0.683	21%	0.21	S	C	*	.	S	Bend	trans	-93.6	-41.6	-179.1	-176.9	179.6	177	-167	0	112	D339	D339-K341 VanDerWaalsContact C-N 3.29Å; D339-K341 PolarHBondContact O-N 3.24Å; D339-K341 WeakPolarHBondContact OD1-CA 3.41Å; D339-K341 WeakPolarHBondContact OD1-CB 2.94Å; D339-K341 PolarHBondContact OD1-N 2.82Å
342	Y	91.8	Very high	95.8	Very high	56 Å²	56	42.8 Å²	42.8	22%	0.22	20%	0.202	C	C	.	.	S	Bend	trans	-108.4	89.8	-172.9	-60.7	-75.5	0	0	0	112.1	D339 G344 R345	D339-Y342 PolarHBondContact OD1-N 3.08Å; Y342-G344 PolarHBondContact O-N 3.29Å; Y342-R345 WeakPolarHBondContact O-CB 3.36Å; Y342-R345 PolarHBondContact O-N 2.79Å
343	R	92.2	Very high	95.7	Very high	31 Å²	31	42.5 Å²	42.5	12%	0.117	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	128.7	178.4	-168.1	174.4	179.7	-124.4	-15.9	112.6	P94 T281 Y283 D286 R319 E321 R345	P94-R343 HydrophobicContact CG-CG 4.28Å; T281-R343 VanDerWaalsContact CG2-NH1 3.34Å; Y283-R343 WeakPolarHBondContact CE2-O 3.35Å; D286-R343 IonicContact OD2-CZ 3.74Å; D286-R343 IonicContact OD2-NH1 3.26Å; D286-R343 PolarHBondContact OD2-NH1 2.93Å; D286-R343 IonicContact OD2-NH2 2.76Å; D286-R343 PolarHBondContact OD2-NH2 2.8Å; R319-R343 PolarHBondContact O-NE 3.21Å; R319-R343 PolarHBondContact O-NH2 2.88Å; E321-R343 HydrophobicContact CG-CG 4.27Å; R343-R345 VanDerWaalsContact C-N 3.33Å
344	G	94.2	Very high	95.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	-7.2	-177.7	0	0	0	0	0	115.2	Y78 E321 Y342 M346	Y78-G344 WeakPolarHBondContact CE2-O 3.25Å; Y78-G344 PolarHBondContact OH-O 2.86Å; E321-G344 PolarHBondContact OE1-N 3.3Å; Y342-G344 PolarHBondContact O-N 3.29Å; G344-M346 PolarHBondContact O-N 3.27Å
345	R	96.3	Very high	95.5	Very high	8 Å²	8	43.1 Å²	43.1	3%	0.03	22%	0.22	C	C	.	.			trans	-81.9	109.4	174.5	-175.1	-174.5	-70.2	-173.8	-4.5	109.5	Y78 Y338 D339 Y342 R343 V347 Y361 G365	Y78-R345 WeakPolarHBondContact OH-CA 3.48Å; Y338-R345 CarbonylContact C-O 3.41Å; Y338-R345 VanDerWaalsContact CA-O 3.27Å; Y338-R345 WeakPolarHBondContact CA-O 3.38Å; D339-R345 HydrophobicContact CB-CB 3.94Å; D339-R345 HydrophobicContact CB-CG 4.31Å; D339-R345 WeakPolarHBondContact CB-O 3.28Å; D339-R345 PolarHBondContact N-O 3Å; Y342-R345 WeakPolarHBondContact O-CB 3.36Å; Y342-R345 PolarHBondContact O-N 2.79Å; R343-R345 VanDerWaalsContact C-N 3.33Å; R345-V347 PolarHBondContact O-N 2.77Å; R345-Y361 HydrophobicContact CG-CD1 4.44Å; R345-Y361 HydrophobicContact CG-CD2 4.09Å; R345-Y361 HydrophobicContact CG-CE1 4.14Å; R345-Y361 HydrophobicContact CG-CE2 3.78Å; R345-Y361 HydrophobicContact CG-CG 4.41Å; R345-G365 VanDerWaalsContact NH2-CA 3.27Å
346	M	97.4	Very high	95.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	124.4	-179.8	-178.9	-173.7	-62.1	0	0	110.1	L58 Y78 W96 F336 T337 Y338 G344 A348 H349 Y361	L58-M346 HydrophobicContact CD1-CE 3.83Å; L58-M346 HydrophobicContact CD1-SD 4.09Å; Y78-M346 HydrophobicContact CD1-CE 3.98Å; Y78-M346 HydrophobicContact CD1-SD 4.44Å; Y78-M346 HydrophobicContact CD2-CE 3.93Å; Y78-M346 HydrophobicContact CE1-CB 3.75Å; Y78-M346 HydrophobicContact CE1-CE 4.22Å; Y78-M346 HydrophobicContact CE1-SD 4.46Å; Y78-M346 HydrophobicContact CE2-CB 4.18Å; Y78-M346 HydrophobicContact CE2-CE 4.17Å; Y78-M346 HydrophobicContact CG-CE 3.84Å; Y78-M346 PolarHBondContact OH-N 2.87Å; W96-M346 HydrophobicContact CH2-CE 3.84Å; W96-M346 HydrophobicContact CZ2-CE 3.31Å; F336-M346 HydrophobicContact CB-CE 4.44Å; F336-M346 HydrophobicContact CD1-CE 3.36Å; F336-M346 HydrophobicContact CD1-SD 3.99Å; F336-M346 HydrophobicContact CE1-CE 3.95Å; F336-M346 HydrophobicContact CG-CE 4.15Å; T337-M346 CarbonylContact O-C 3.6Å; T337-M346 WeakPolarHBondContact O-CA 3.38Å; Y338-M346 HydrophobicContact CD1-CB 4.24Å; Y338-M346 HydrophobicContact CE1-CB 4.21Å; G344-M346 PolarHBondContact O-N 3.27Å; M346-A348 WeakPolarHBondContact CG-O 3.43Å; M346-H349 HydrophobicContact SD-CB 3.88Å; M346-Y361 VanDerWaalsContact O-CE2 3.28Å; M346-Y361 WeakPolarHBondContact O-CE2 3.41Å; M346-Y361 PolarHBondContact O-OH 3.05Å
347	V	98	Very high	95.2	Very high	34 Å²	34	43.2 Å²	43.2	21%	0.206	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-18	175.6	-62.2	0	0	0	0	112.2	T337 D339 R345 R358 Y359 Y361	T337-V347 HydrophobicContact CG2-CG2 3.96Å; T337-V347 PolarHBondContact O-N 3.34Å; D339-V347 HydrophobicContact CB-CG1 3.78Å; R345-V347 PolarHBondContact O-N 2.77Å; V347-R358 CarbonylContact O-C 3.59Å; V347-R358 VanDerWaalsContact O-CA 3.25Å; V347-R358 WeakPolarHBondContact O-CA 3.38Å; V347-Y359 PolarHBondContact O-N 3.19Å; V347-Y361 HydrophobicContact CG1-CE2 4.33Å
348	A	97.8	Very high	95.1	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	156.4	173.6	0	0	0	0	0	113.3	T337 M346 E356 M357 R358	T337-A348 PolarHBondContact N-O 3.29Å; T337-A348 PolarHBondContact O-N 2.82Å; T337-A348 VanDerWaalsContact O-N 3.09Å; M346-A348 WeakPolarHBondContact CG-O 3.43Å; A348-E356 HydrophobicContact CB-CG 3.61Å; A348-M357 CarbonylContact C-O 3.58Å; A348-M357 WeakPolarHBondContact CA-O 3.45Å; A348-M357 WeakPolarHBondContact CB-O 3.33Å; A348-R358 HydrophobicContact CB-CG 3.89Å
349	H	96.7	Very high	95.1	Very high	3 Å²	3	47.3 Å²	47.3	1%	0.014	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	157.7	167.5	71.7	99.4	0	0	0	111.9	R334 H335 F336 M346 M357 Y359	R334-H349 PolarHBondContact NH2-ND1 2.72Å; H335-H349 CarbonylContact O-C 3.58Å; H335-H349 WeakPolarHBondContact O-CA 3.24Å; H335-H349 WeakPolarHBondContact O-CB 3.45Å; F336-H349 HydrophobicContact CD1-CB 3.51Å; F336-H349 HydrophobicContact CE1-CB 3.85Å; M346-H349 HydrophobicContact SD-CB 3.88Å; H349-M357 WeakPolarHBondContact CE1-CE 3.38Å; H349-M357 VanDerWaalsContact CE1-SD 3.59Å; H349-M357 PolarHBondContact N-O 2.99Å; H349-M357 PolarHBondContact O-N 2.83Å; H349-Y359 AromaticContact CD2-CE2 3.62Å; H349-Y359 AromaticContact NE2-CE2 3.85Å; H349-Y359 AromaticContact NE2-CZ 3.88Å; H349-Y359 PolarHBondContact NE2-OH 2.94Å
350	R	95.5	Very high	95.2	Very high	74 Å²	74	53.2 Å²	53.2	28%	0.279	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	155.4	173.8	63.1	-179.3	-178.9	-86.7	-4.4	112.7	R334 H335 E356	R334-R350 WeakPolarHBondContact CA-O 3.43Å; H335-R350 HydrophobicContact CB-CG 3.88Å; H335-R350 VanDerWaalsContact CD2-CZ 3.42Å; H335-R350 PolarHBondContact CD2-NH1 2.85Å; H335-R350 PolarHBondContact CD2-NH2 3.33Å; H335-R350 PolarHBondContact N-O 3.16Å; H335-R350 PolarHBondContact O-N 2.74Å; R350-E356 HydrophobicContact CB-CB 4.18Å; R350-E356 IonicContact NH1-OE2 2.84Å; R350-E356 PolarHBondContact NH1-OE2 3.46Å
351	Y	94.8	Very high	95.5	Very high	101 Å²	101	47.6 Å²	47.6	40%	0.396	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	161.1	166.2	-71.3	-90.2	0	0	0	110.8	E61 M333 R334 G353 R354 M357	E61-Y351 WeakPolarHBondContact OE1-CE1 3.46Å; M333-Y351 CarbonylContact O-C 3.53Å; M333-Y351 WeakPolarHBondContact O-CA 3.32Å; R334-Y351 VanDerWaalsContact CD-CD1 3.42Å; R334-Y351 PolarHBondContact NH1-OH 3.24Å; Y351-G353 PolarHBondContact O-N 2.79Å; Y351-R354 PolarHBondContact O-N 2.79Å; Y351-M357 HydrophobicContact CD2-CE 4.25Å; Y351-M357 HydrophobicContact CE2-CE 4.46Å
352	A	94.9	Very high	95.7	Very high	14 Å²	14	41.7 Å²	41.7	12%	0.116	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	127.2	171.2	0	0	0	0	0	111.2	Q332 M333 R354 A599	Q332-A352 VanDerWaalsContact O-CB 3.29Å; Q332-A352 WeakPolarHBondContact O-CB 3.43Å; M333-A352 PolarHBondContact O-N 2.96Å; M333-A352 HydrophobicContact SD-CB 4.31Å; A352-R354 PolarHBondContact O-N 2.99Å; A352-R354 VanDerWaalsContact O-N 3.13Å; A352-A599 WeakPolarHBondContact O-CA 3.17Å; A352-A599 WeakPolarHBondContact O-CB 3.42Å
353	G	93.4	Very high	95.8	Very high	59 Å²	59	46.5 Å²	46.5	61%	0.608	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	13.3	178.5	0	0	0	0	0	115.5	Y351	Y351-G353 PolarHBondContact O-N 2.79Å
354	R	95.1	Very high	95.8	Very high	40 Å²	40	49.7 Å²	49.7	15%	0.151	25%	0.246	C	C	.	.	S	Bend	trans	-115.9	153.6	179	-57.6	-58	-175.1	-141	-6.3	112.6	Y351 A352 D601 A619 W620 G621	Y351-R354 PolarHBondContact O-N 2.79Å; A352-R354 PolarHBondContact O-N 2.99Å; A352-R354 VanDerWaalsContact O-N 3.13Å; R354-D601 IonicContact CZ-OD1 3.94Å; R354-D601 IonicContact CZ-OD2 3.38Å; R354-D601 VanDerWaalsContact CZ-OD2 3.28Å; R354-D601 IonicContact NH1-OD2 2.71Å; R354-D601 PolarHBondContact NH1-OD2 2.96Å; R354-D601 IonicContact NH2-OD1 3.69Å; R354-D601 PolarHBondContact NH2-OD1 2.87Å; R354-D601 IonicContact NH2-OD2 3.79Å; R354-D601 PolarHBondContact NH2-OD2 2.72Å; R354-A619 WeakPolarHBondContact CD-O 3.38Å; R354-W620 HydrophobicContact CB-CZ3 4.33Å; R354-G621 VanDerWaalsContact CZ-CA 3.45Å
355	P	94.8	Very high	95.8	Very high	32 Å²	32	50.3 Å²	50.3	21%	0.208	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-59	158.9	172.7	-23.8	32.7	0	0	0	113.7	P373 A619 W620	P355-P373 HydrophobicContact CB-CB 3.83Å; P355-P373 HydrophobicContact CB-CG 3.83Å; P355-A619 WeakPolarHBondContact CD-O 3.14Å; P355-A619 HydrophobicContact CG-CB 3.66Å; P355-W620 HydrophobicContact CB-CH2 4.37Å; P355-W620 HydrophobicContact CB-CZ2 4.1Å; P355-W620 HydrophobicContact CG-CZ2 4.3Å
356	E	95.1	Very high	95.8	Very high	35 Å²	35	54.1 Å²	54.1	16%	0.164	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-89.8	122.7	179.7	-178.7	179.9	86.8	0	0	112.4	A348 R350 R358 P373	A348-E356 HydrophobicContact CB-CG 3.61Å; R350-E356 HydrophobicContact CB-CB 4.18Å; R350-E356 IonicContact NH1-OE2 2.84Å; R350-E356 PolarHBondContact NH1-OE2 3.46Å; E356-R358 HydrophobicContact CG-CG 4.36Å; E356-R358 IonicContact OE1-CZ 2.65Å; E356-R358 IonicContact OE1-NE 3.79Å; E356-R358 PolarHBondContact OE1-NE 3.49Å; E356-R358 IonicContact OE1-NH2 2.87Å; E356-R358 PolarHBondContact OE1-NH2 2.93Å; E356-P373 WeakPolarHBondContact O-CD 3.23Å; E356-P373 WeakPolarHBondContact O-CG 3.47Å
357	M	95.4	Very high	95.9	Very high	13 Å²	13	54.1 Å²	54.1	6%	0.064	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	139.6	171.8	-64.7	155.8	-88.8	0	0	109.4	A348 H349 Y351 Y359 F371 N372 W620	A348-M357 CarbonylContact C-O 3.58Å; A348-M357 WeakPolarHBondContact CA-O 3.45Å; A348-M357 WeakPolarHBondContact CB-O 3.33Å; H349-M357 WeakPolarHBondContact CE1-CE 3.38Å; H349-M357 VanDerWaalsContact CE1-SD 3.59Å; H349-M357 PolarHBondContact N-O 2.99Å; H349-M357 PolarHBondContact O-N 2.83Å; Y351-M357 HydrophobicContact CD2-CE 4.25Å; Y351-M357 HydrophobicContact CE2-CE 4.46Å; M357-Y359 HydrophobicContact CB-CE2 4.24Å; M357-F371 WeakPolarHBondContact CA-O 3.23Å; M357-N372 WeakPolarHBondContact CG-OD1 3.35Å; M357-W620 HydrophobicContact CE-CH2 3.96Å; M357-W620 HydrophobicContact CE-CZ3 4.08Å; M357-W620 HydrophobicContact CG-CH2 3.81Å; M357-W620 HydrophobicContact SD-CH2 4.04Å; M357-W620 HydrophobicContact SD-CZ3 4.45Å
358	R	97.2	Very high	95.9	Very high	140 Å²	140	54.2 Å²	54.2	53%	0.528	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154	-175.7	-63.5	179.9	175.9	174.5	-0.4	112.7	V347 A348 E356 Q370 F371	V347-R358 CarbonylContact O-C 3.59Å; V347-R358 VanDerWaalsContact O-CA 3.25Å; V347-R358 WeakPolarHBondContact O-CA 3.38Å; A348-R358 HydrophobicContact CB-CG 3.89Å; E356-R358 HydrophobicContact CG-CG 4.36Å; E356-R358 IonicContact OE1-CZ 2.65Å; E356-R358 IonicContact OE1-NE 3.79Å; E356-R358 PolarHBondContact OE1-NE 3.49Å; E356-R358 IonicContact OE1-NH2 2.87Å; E356-R358 PolarHBondContact OE1-NH2 2.93Å; R358-Q370 CarbonylContact O-C 3.53Å; R358-Q370 WeakPolarHBondContact O-CA 3.22Å; R358-F371 HydrophobicContact CB-CB 4.31Å; R358-F371 PolarHBondContact N-O 2.91Å; R358-F371 PolarHBondContact O-N 3.44Å
359	Y	97.8	Very high	95.9	Very high	10 Å²	10	57.7 Å²	57.7	4%	0.039	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.4	-175.2	-54	-86.3	0	0	0	111.3	V49 K56 V347 H349 M357 V367 E369 Q370	V49-Y359 HydrophobicContact CG2-CD1 4.28Å; V49-Y359 HydrophobicContact CG2-CE1 4.1Å; K56-Y359 HydrophobicContact CD-CD1 3.88Å; K56-Y359 HydrophobicContact CD-CD2 4.26Å; K56-Y359 HydrophobicContact CD-CE1 3.47Å; K56-Y359 VanDerWaalsContact CD-CE1 3.47Å; K56-Y359 HydrophobicContact CD-CE2 3.94Å; K56-Y359 HydrophobicContact CD-CG 4.25Å; K56-Y359 VanDerWaalsContact CE-CE2 3.42Å; K56-Y359 WeakPolarHBondContact CE-OH 3.35Å; V347-Y359 PolarHBondContact O-N 3.19Å; H349-Y359 AromaticContact CD2-CE2 3.62Å; H349-Y359 AromaticContact NE2-CE2 3.85Å; H349-Y359 AromaticContact NE2-CZ 3.88Å; H349-Y359 PolarHBondContact NE2-OH 2.94Å; M357-Y359 HydrophobicContact CB-CE2 4.24Å; Y359-V367 HydrophobicContact CD1-CG1 4.18Å; Y359-E369 VanDerWaalsContact CA-O 3.31Å; Y359-E369 WeakPolarHBondContact CA-O 3.31Å; Y359-Q370 HydrophobicContact CD1-CB 3.97Å; Y359-Q370 HydrophobicContact CD1-CG 4.07Å; Y359-Q370 HydrophobicContact CE1-CB 3.88Å; Y359-Q370 HydrophobicContact CE1-CG 3.5Å; Y359-Q370 VanDerWaalsContact CE1-CG 3.5Å; Y359-Q370 PolarHBondContact OH-NE2 2.89Å
360	R	97.9	Very high	95.9	Very high	157 Å²	157	57.6 Å²	57.6	59%	0.592	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	149.1	166.8	-64.6	-173.5	176.4	135.6	-5.3	109.9	V367 T368 E369	R360-V367 CarbonylContact O-C 3.34Å; R360-V367 WeakPolarHBondContact O-CA 3.17Å; R360-T368 PolarHBondContact O-N 2.62Å; R360-T368 PolarHBondContact O-OG1 2.92Å; R360-E369 HydrophobicContact CB-CB 4.14Å; R360-E369 WeakPolarHBondContact CD-OE2 3.47Å; R360-E369 IonicContact CZ-OE2 3.67Å; R360-E369 PolarHBondContact N-O 2.99Å; R360-E369 IonicContact NE-OE2 3.91Å; R360-E369 IonicContact NH1-OE1 3.86Å; R360-E369 IonicContact NH1-OE2 3.06Å; R360-E369 PolarHBondContact NH1-OE2 3.2Å; R360-E369 PolarHBondContact O-N 2.92Å
361	Y	98.1	Very high	95.9	Very high	33 Å²	33	59.3 Å²	59.3	13%	0.129	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.9	-177.2	-61.8	-97.8	0	0	0	110.2	K56 R345 M346 V347 G365 R366 V367	K56-Y361 HydrophobicContact CB-CE1 4.48Å; K56-Y361 VanDerWaalsContact CB-OH 3.24Å; K56-Y361 WeakPolarHBondContact CB-OH 3.3Å; R345-Y361 HydrophobicContact CG-CD1 4.44Å; R345-Y361 HydrophobicContact CG-CD2 4.09Å; R345-Y361 HydrophobicContact CG-CE1 4.14Å; R345-Y361 HydrophobicContact CG-CE2 3.78Å; R345-Y361 HydrophobicContact CG-CG 4.41Å; M346-Y361 VanDerWaalsContact O-CE2 3.28Å; M346-Y361 WeakPolarHBondContact O-CE2 3.41Å; M346-Y361 PolarHBondContact O-OH 3.05Å; V347-Y361 HydrophobicContact CG1-CE2 4.33Å; Y361-G365 WeakPolarHBondContact CD1-O 3.35Å; Y361-R366 CarbonylContact C-O 3.52Å; Y361-R366 WeakPolarHBondContact CA-O 3.43Å; Y361-V367 HydrophobicContact CD1-CG2 3.83Å; Y361-V367 HydrophobicContact CE1-CB 4.45Å; Y361-V367 HydrophobicContact CE1-CG2 3.35Å
362	D	96.5	Very high	95.9	Very high	33 Å²	33	55.3 Å²	55.3	18%	0.176	28%	0.278	C	S	.	.			trans	-76.8	175.9	165.6	71.5	17.9	0	0	0	111.9	T364 G365 R366 T368	D362-T364 VanDerWaalsContact CG-OG1 3.25Å; D362-T364 PolarHBondContact O-N 3.19Å; D362-T364 WeakPolarHBondContact OD1-CA 3.45Å; D362-T364 WeakPolarHBondContact OD1-CB 3.48Å; D362-T364 PolarHBondContact OD1-N 2.68Å; D362-T364 PolarHBondContact OD1-OG1 2.76Å; D362-T364 PolarHBondContact OD2-OG1 3.49Å; D362-G365 PolarHBondContact O-N 2.86Å; D362-G365 PolarHBondContact OD1-N 2.84Å; D362-R366 PolarHBondContact N-O 3.28Å; D362-R366 PolarHBondContact OD1-N 3.31Å; D362-R366 IonicContact OD1-NE 3.43Å; D362-R366 IonicContact OD2-CZ 2.82Å; D362-R366 VanDerWaalsContact OD2-CZ 3.24Å; D362-R366 IonicContact OD2-NE 3.5Å; D362-R366 PolarHBondContact OD2-NE 2.85Å; D362-R366 IonicContact OD2-NH2 3.36Å; D362-R366 PolarHBondContact OD2-NH2 3.44Å; D362-T368 HydrophobicContact CB-CG2 3.79Å
363	D	93.2	Very high	95.7	Very high	157 Å²	157	56 Å²	56	84%	0.84	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-23.8	-179.5	-65.1	-31.5	0	0	0	113.4	G365	D363-G365 VanDerWaalsContact C-N 3.26Å
364	T	92.4	Very high	95.1	Very high	98 Å²	98	56.6 Å²	56.6	60%	0.601	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.5	175.3	70.3	0	0	0	0	112.8	D362 R366	D362-T364 VanDerWaalsContact CG-OG1 3.25Å; D362-T364 PolarHBondContact O-N 3.19Å; D362-T364 WeakPolarHBondContact OD1-CA 3.45Å; D362-T364 WeakPolarHBondContact OD1-CB 3.48Å; D362-T364 PolarHBondContact OD1-N 2.68Å; D362-T364 PolarHBondContact OD1-OG1 2.76Å; D362-T364 PolarHBondContact OD2-OG1 3.49Å; T364-R366 PolarHBondContact OG1-NE 3.18Å
365	G	94.1	Very high	95	Very high	13 Å²	13	55.5 Å²	55.5	13%	0.134	28%	0.282	C	S	.	.	S	Bend	trans	83.5	19.8	-179.8	0	0	0	0	0	114.4	R345 Y361 D362 D363	R345-G365 VanDerWaalsContact NH2-CA 3.27Å; Y361-G365 WeakPolarHBondContact CD1-O 3.35Å; D362-G365 PolarHBondContact O-N 2.86Å; D362-G365 PolarHBondContact OD1-N 2.84Å; D363-G365 VanDerWaalsContact C-N 3.26Å
366	R	96.5	Very high	95	Very high	87 Å²	87	54.7 Å²	54.7	33%	0.328	28%	0.276	S	S	.	.			trans	-90.2	139.4	173.2	-60.2	176.1	-60.5	-178.4	4.2	110.9	G54 Y361 D362 T364 T368 Y382	G54-R366 CarbonylContact O-C 3.6Å; G54-R366 WeakPolarHBondContact O-CA 3.23Å; Y361-R366 CarbonylContact C-O 3.52Å; Y361-R366 WeakPolarHBondContact CA-O 3.43Å; D362-R366 PolarHBondContact N-O 3.28Å; D362-R366 PolarHBondContact OD1-N 3.31Å; D362-R366 IonicContact OD1-NE 3.43Å; D362-R366 IonicContact OD2-CZ 2.82Å; D362-R366 VanDerWaalsContact OD2-CZ 3.24Å; D362-R366 IonicContact OD2-NE 3.5Å; D362-R366 PolarHBondContact OD2-NE 2.85Å; D362-R366 IonicContact OD2-NH2 3.36Å; D362-R366 PolarHBondContact OD2-NH2 3.44Å; T364-R366 PolarHBondContact OG1-NE 3.18Å; R366-T368 PolarHBondContact O-N 2.82Å; R366-Y382 HydrophobicContact CB-CD2 4.04Å; R366-Y382 HydrophobicContact CB-CE2 3.64Å
367	V	98	Very high	95	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	117.6	177.6	178.9	0	0	0	0	109.8	V49 G54 K56 Y359 R360 Y361 Y380 Y382	V49-V367 HydrophobicContact CG1-CB 3.96Å; V49-V367 HydrophobicContact CG1-CG1 4.18Å; V49-V367 HydrophobicContact CG1-CG2 4.32Å; V49-V367 HydrophobicContact CG2-CB 4.41Å; V49-V367 HydrophobicContact CG2-CG1 3.86Å; V49-V367 HydrophobicContact CG2-CG2 4.5Å; G54-V367 PolarHBondContact O-N 3.39Å; K56-V367 HydrophobicContact CB-CG2 3.94Å; Y359-V367 HydrophobicContact CD1-CG1 4.18Å; R360-V367 CarbonylContact O-C 3.34Å; R360-V367 WeakPolarHBondContact O-CA 3.17Å; Y361-V367 HydrophobicContact CD1-CG2 3.83Å; Y361-V367 HydrophobicContact CE1-CB 4.45Å; Y361-V367 HydrophobicContact CE1-CG2 3.35Å; V367-Y380 HydrophobicContact CG1-CD2 4.09Å; V367-Y380 HydrophobicContact CG1-CE2 4.11Å; V367-Y380 WeakPolarHBondContact O-CB 3.25Å; V367-Y382 WeakPolarHBondContact O-CE2 3.37Å; V367-Y382 PolarHBondContact O-OH 2.73Å
368	T	98.2	Very high	95.1	Very high	37 Å²	37	55.5 Å²	55.5	23%	0.227	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-26.2	176.7	50.1	0	0	0	0	112.7	R360 D362 R366 T379 Y380	R360-T368 PolarHBondContact O-N 2.62Å; R360-T368 PolarHBondContact O-OG1 2.92Å; D362-T368 HydrophobicContact CB-CG2 3.79Å; R366-T368 PolarHBondContact O-N 2.82Å; T368-T379 CarbonylContact O-C 3.59Å; T368-T379 WeakPolarHBondContact O-CA 3.42Å; T368-Y380 PolarHBondContact O-N 2.95Å
369	E	98	Very high	95.1	Very high	75 Å²	75	51.7 Å²	51.7	35%	0.35	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	140.2	-179.7	-56.7	175.9	-159.4	0	0	110.6	Y359 R360 Y378 T379	Y359-E369 VanDerWaalsContact CA-O 3.31Å; Y359-E369 WeakPolarHBondContact CA-O 3.31Å; R360-E369 HydrophobicContact CB-CB 4.14Å; R360-E369 WeakPolarHBondContact CD-OE2 3.47Å; R360-E369 IonicContact CZ-OE2 3.67Å; R360-E369 PolarHBondContact N-O 2.99Å; R360-E369 IonicContact NE-OE2 3.91Å; R360-E369 IonicContact NH1-OE1 3.86Å; R360-E369 IonicContact NH1-OE2 3.06Å; R360-E369 PolarHBondContact NH1-OE2 3.2Å; R360-E369 PolarHBondContact O-N 2.92Å; E369-Y378 CarbonylContact C-O 3.59Å; E369-Y378 WeakPolarHBondContact CA-O 3.09Å; E369-T379 HydrophobicContact CG-CG2 4.29Å
370	Q	97.2	Very high	95.2	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123	166.5	170.8	174.4	8.3	0	0	108.5	G46 R358 Y359 N372 S377 Y378 Y380	G46-Q370 PolarHBondContact O-NE2 2.88Å; G46-Q370 PolarHBondContact O-OE1 2.55Å; R358-Q370 CarbonylContact O-C 3.53Å; R358-Q370 WeakPolarHBondContact O-CA 3.22Å; Y359-Q370 HydrophobicContact CD1-CB 3.97Å; Y359-Q370 HydrophobicContact CD1-CG 4.07Å; Y359-Q370 HydrophobicContact CE1-CB 3.88Å; Y359-Q370 HydrophobicContact CE1-CG 3.5Å; Y359-Q370 VanDerWaalsContact CE1-CG 3.5Å; Y359-Q370 PolarHBondContact OH-NE2 2.89Å; Q370-N372 WeakPolarHBondContact CG-OD1 3.44Å; Q370-N372 PolarHBondContact NE2-ND2 2.82Å; Q370-N372 PolarHBondContact NE2-OD1 3.42Å; Q370-S377 CarbonylContact O-C 3.6Å; Q370-S377 VanDerWaalsContact O-CA 3.27Å; Q370-S377 WeakPolarHBondContact O-CA 3.03Å; Q370-S377 VanDerWaalsContact O-CB 3.23Å; Q370-S377 WeakPolarHBondContact O-CB 3.37Å; Q370-Y378 PolarHBondContact N-O 2.83Å; Q370-Y378 PolarHBondContact O-N 2.82Å; Q370-Y380 HydrophobicContact CB-CE2 4.24Å; Q370-Y380 PolarHBondContact OE1-OH 2.78Å
371	F	96.3	Very high	95.2	Very high	109 Å²	109	49.7 Å²	49.7	48%	0.478	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119	172.9	177.9	-106.3	0	0	0	110	M357 R358 P373	M357-F371 WeakPolarHBondContact CA-O 3.23Å; R358-F371 HydrophobicContact CB-CB 4.31Å; R358-F371 PolarHBondContact N-O 2.91Å; R358-F371 PolarHBondContact O-N 3.44Å; F371-P373 HydrophobicContact CD1-CG 4.14Å; F371-P373 HydrophobicContact CE1-CB 4.18Å; F371-P373 HydrophobicContact CE1-CG 3.67Å; F371-P373 HydrophobicContact CZ-CB 4.46Å; F371-P373 HydrophobicContact CZ-CG 4.41Å
372	N	93.8	Very high	95.1	Very high	17 Å²	17	49.8 Å²	49.8	9%	0.091	27%	0.271	C	S	.	.			trans	-115.1	103.1	175.5	-63.6	-27.4	0	0	0	108.1	M357 Q370 A374 G375 L376 S377	M357-N372 WeakPolarHBondContact CG-OD1 3.35Å; Q370-N372 WeakPolarHBondContact CG-OD1 3.44Å; Q370-N372 PolarHBondContact NE2-ND2 2.82Å; Q370-N372 PolarHBondContact NE2-OD1 3.42Å; N372-A374 PolarHBondContact O-N 3.41Å; N372-G375 CarbonylContact O-C 3.48Å; N372-G375 PolarHBondContact O-N 3.04Å; N372-G375 VanDerWaalsContact O-N 3.15Å; N372-G375 VanDerWaalsContact O-O 3.07Å; N372-L376 VanDerWaalsContact CB-O 3.3Å; N372-L376 WeakPolarHBondContact CB-O 3.01Å; N372-L376 PolarHBondContact ND2-O 2.8Å; N372-S377 PolarHBondContact N-OG 2.75Å
373	P	90.5	Very high	95.1	Very high	30 Å²	30	52.1 Å²	52.1	20%	0.195	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	135.3	178.7	-16.4	23.8	0	0	0	110.3	P355 E356 F371 G375 W620	P355-P373 HydrophobicContact CB-CB 3.83Å; P355-P373 HydrophobicContact CB-CG 3.83Å; E356-P373 WeakPolarHBondContact O-CD 3.23Å; E356-P373 WeakPolarHBondContact O-CG 3.47Å; F371-P373 HydrophobicContact CD1-CG 4.14Å; F371-P373 HydrophobicContact CE1-CB 4.18Å; F371-P373 HydrophobicContact CE1-CG 3.67Å; F371-P373 HydrophobicContact CZ-CB 4.46Å; F371-P373 HydrophobicContact CZ-CG 4.41Å; P373-G375 PolarHBondContact O-N 2.95Å; P373-W620 WeakPolarHBondContact O-CZ2 3.19Å; P373-W620 PolarHBondContact O-NE1 3.01Å
374	A	82	Confident	95	Very high	71 Å²	71	52.8 Å²	52.8	59%	0.587	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	16.5	-179.3	0	0	0	0	0	115.9	N372 W620	N372-A374 PolarHBondContact O-N 3.41Å; A374-W620 PolarHBondContact O-NE1 3.35Å
375	G	91.5	Very high	95.1	Very high	17 Å²	17	51.7 Å²	51.7	18%	0.175	27%	0.266	C	S	.	.	S	Bend	trans	-137.7	-174.1	172.1	0	0	0	0	0	111	N372 P373 S377 A639	N372-G375 CarbonylContact O-C 3.48Å; N372-G375 PolarHBondContact O-N 3.04Å; N372-G375 VanDerWaalsContact O-N 3.15Å; N372-G375 VanDerWaalsContact O-O 3.07Å; P373-G375 PolarHBondContact O-N 2.95Å; G375-S377 PolarHBondContact O-N 2.99Å; G375-A639 CarbonylContact C-O 3.51Å; G375-A639 VanDerWaalsContact C-O 3.24Å; G375-A639 VanDerWaalsContact CA-O 3.25Å; G375-A639 WeakPolarHBondContact CA-O 3.36Å
376	L	94.6	Very high	95.3	Very high	15 Å²	15	55.8 Å²	55.8	8%	0.079	28%	0.278	C	S	.	.			trans	-69.2	125.2	174.7	-66.1	174.6	0	0	0	111	N372 Y378 S392 L393 A639 A640	N372-L376 VanDerWaalsContact CB-O 3.3Å; N372-L376 WeakPolarHBondContact CB-O 3.01Å; N372-L376 PolarHBondContact ND2-O 2.8Å; L376-Y378 HydrophobicContact CB-CE2 3.79Å; L376-Y378 WeakPolarHBondContact CD1-OH 3.29Å; L376-Y378 WeakPolarHBondContact O-CD2 3.23Å; L376-Y378 WeakPolarHBondContact O-CE2 3.34Å; L376-S392 WeakPolarHBondContact CA-OG 3.44Å; L376-L393 HydrophobicContact CD2-CD1 3.71Å; L376-L393 HydrophobicContact CD2-CG 3.61Å; L376-A639 HydrophobicContact CD2-CB 4.33Å; L376-A639 PolarHBondContact N-O 3.5Å; L376-A640 HydrophobicContact CD1-CB 3.96Å; L376-A640 HydrophobicContact CD2-CB 4.22Å; L376-A640 HydrophobicContact CG-CB 4.2Å
377	S	96.1	Very high	95.4	Very high	24 Å²	24	51.8 Å²	51.8	17%	0.168	26%	0.263	C	S	.	.			trans	-93.3	155.4	167.1	-62.5	0	0	0	0	109.8	Q370 N372 G375 D391 S392	Q370-S377 CarbonylContact O-C 3.6Å; Q370-S377 VanDerWaalsContact O-CA 3.27Å; Q370-S377 WeakPolarHBondContact O-CA 3.03Å; Q370-S377 VanDerWaalsContact O-CB 3.23Å; Q370-S377 WeakPolarHBondContact O-CB 3.37Å; N372-S377 PolarHBondContact N-OG 2.75Å; G375-S377 PolarHBondContact O-N 2.99Å; S377-D391 CarbonylContact O-C 3.49Å; S377-D391 VanDerWaalsContact O-C 3.3Å; S377-D391 WeakPolarHBondContact O-CA 3.18Å; S377-S392 PolarHBondContact N-OG 3.25Å; S377-S392 VanDerWaalsContact N-OG 3.1Å; S377-S392 PolarHBondContact O-N 3.4Å
378	Y	97.4	Very high	95.4	Very high	41 Å²	41	51.9 Å²	51.9	16%	0.161	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.2	-173.1	-59.9	-92.4	0	0	0	111.9	E369 Q370 L376 I389 T390 D391	E369-Y378 CarbonylContact C-O 3.59Å; E369-Y378 WeakPolarHBondContact CA-O 3.09Å; Q370-Y378 PolarHBondContact N-O 2.83Å; Q370-Y378 PolarHBondContact O-N 2.82Å; L376-Y378 HydrophobicContact CB-CE2 3.79Å; L376-Y378 WeakPolarHBondContact CD1-OH 3.29Å; L376-Y378 WeakPolarHBondContact O-CD2 3.23Å; L376-Y378 WeakPolarHBondContact O-CE2 3.34Å; Y378-I389 HydrophobicContact CD1-CG2 4Å; Y378-T390 CarbonylContact C-O 3.53Å; Y378-T390 WeakPolarHBondContact CA-O 3.23Å; Y378-D391 HydrophobicContact CD1-CB 3.76Å; Y378-D391 HydrophobicContact CE1-CB 3.67Å
379	T	97.9	Very high	95.4	Very high	60 Å²	60	50.3 Å²	50.3	37%	0.368	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.3	169.5	61	0	0	0	0	109.7	T368 E369 I389 T390	T368-T379 CarbonylContact O-C 3.59Å; T368-T379 WeakPolarHBondContact O-CA 3.42Å; E369-T379 HydrophobicContact CG-CG2 4.29Å; T379-I389 WeakPolarHBondContact O-CA 3.04Å; T379-T390 PolarHBondContact N-O 3.44Å; T379-T390 PolarHBondContact O-N 3.01Å; T379-T390 PolarHBondContact OG1-O 2.85Å
380	Y	98.2	Very high	95.4	Very high	8 Å²	8	48.2 Å²	48.2	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.6	-175.7	-55.5	-87.7	0	0	0	110	V49 V367 T368 Q370 Y382 T388 I389	V49-Y380 HydrophobicContact CB-CE1 4.19Å; V49-Y380 HydrophobicContact CB-CE2 4.13Å; V49-Y380 WeakPolarHBondContact CB-OH 3.43Å; V49-Y380 HydrophobicContact CG1-CD1 4.44Å; V49-Y380 HydrophobicContact CG1-CD2 4.46Å; V49-Y380 HydrophobicContact CG1-CE1 4.01Å; V49-Y380 HydrophobicContact CG1-CE2 4.02Å; V49-Y380 HydrophobicContact CG2-CE2 3.94Å; V367-Y380 HydrophobicContact CG1-CD2 4.09Å; V367-Y380 HydrophobicContact CG1-CE2 4.11Å; V367-Y380 WeakPolarHBondContact O-CB 3.25Å; T368-Y380 PolarHBondContact O-N 2.95Å; Q370-Y380 HydrophobicContact CB-CE2 4.24Å; Q370-Y380 PolarHBondContact OE1-OH 2.78Å; Y380-Y382 WeakPolarHBondContact CB-OH 3.18Å; Y380-T388 WeakPolarHBondContact CA-O 3.39Å; Y380-I389 HydrophobicContact CD1-CG1 3.95Å; Y380-I389 HydrophobicContact CD1-CG2 4.32Å; Y380-I389 HydrophobicContact CE1-CG1 4.11Å; Y380-I389 HydrophobicContact CE1-CG2 3.96Å
381	Q	98.2	Very high	95.4	Very high	117 Å²	117	48.6 Å²	48.6	55%	0.547	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.8	173.7	-64.1	178.9	-9.9	0	0	109.5	I387 T388	Q381-I387 WeakPolarHBondContact O-CA 3.42Å; Q381-T388 PolarHBondContact N-O 2.93Å; Q381-T388 PolarHBondContact O-N 2.82Å
382	Y	97.2	Very high	95.4	Very high	35 Å²	35	46.2 Å²	46.2	14%	0.137	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.8	-174.2	-58.4	-70.1	0	0	0	111.9	P51 G54 R366 V367 Y380 I387	P51-Y382 VanDerWaalsContact O-CE1 3.23Å; P51-Y382 WeakPolarHBondContact O-CE1 3.06Å; G54-Y382 VanDerWaalsContact CA-OH 3.29Å; G54-Y382 WeakPolarHBondContact CA-OH 3.38Å; R366-Y382 HydrophobicContact CB-CD2 4.04Å; R366-Y382 HydrophobicContact CB-CE2 3.64Å; V367-Y382 WeakPolarHBondContact O-CE2 3.37Å; V367-Y382 PolarHBondContact O-OH 2.73Å; Y380-Y382 WeakPolarHBondContact CB-OH 3.18Å; Y382-I387 HydrophobicContact CD1-CB 4.5Å; Y382-I387 HydrophobicContact CD1-CG1 3.94Å; Y382-I387 HydrophobicContact CD1-CG2 3.81Å; Y382-I387 HydrophobicContact CE1-CG1 4.45Å; Y382-I387 HydrophobicContact CE1-CG2 3.82Å
383	E	96	Very high	95.5	Very high	82 Å²	82	48.8 Å²	48.8	38%	0.383	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	169.9	168.8	-61.9	164.9	-110.7	0	0	109.2	N385 R386	E383-N385 VanDerWaalsContact C-N 3.34Å; E383-N385 PolarHBondContact O-N 3.46Å; E383-R386 CarbonylContact C-O 3.58Å; E383-R386 WeakPolarHBondContact CA-O 2.96Å; E383-R386 HydrophobicContact CB-CB 4.18Å; E383-R386 WeakPolarHBondContact CB-O 3.46Å; E383-R386 VanDerWaalsContact CD-NE 3.27Å; E383-R386 PolarHBondContact N-O 2.84Å; E383-R386 PolarHBondContact O-N 2.97Å; E383-R386 VanDerWaalsContact O-O 3.1Å; E383-R386 IonicContact OE1-CZ 3.14Å; E383-R386 IonicContact OE1-NE 3.26Å; E383-R386 PolarHBondContact OE1-NE 2.69Å; E383-R386 IonicContact OE1-NH2 2.73Å; E383-R386 PolarHBondContact OE1-NH2 3.13Å; E383-R386 IonicContact OE2-CZ 2.66Å; E383-R386 IonicContact OE2-NE 3.12Å; E383-R386 PolarHBondContact OE2-NE 3.09Å; E383-R386 IonicContact OE2-NH2 2.71Å; E383-R386 PolarHBondContact OE2-NH2 2.81Å
384	K	90.9	Very high	95.7	Very high	171 Å²	171	54 Å²	54	74%	0.743	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-52.8	-171.2	-174.4	177.9	178.5	179.3	0	113.2	K408	K384-K408 PolarHBondContact O-NZ 3.15Å
385	N	95.6	Very high	96.5	Very high	74 Å²	74	52.3 Å²	52.3	40%	0.396	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	18	-176.9	-68.8	-15.4	0	0	0	112.8	E383 H400 T401	E383-N385 VanDerWaalsContact C-N 3.34Å; E383-N385 PolarHBondContact O-N 3.46Å; N385-H400 WeakPolarHBondContact O-CA 3.35Å; N385-T401 WeakPolarHBondContact CA-OG1 3.32Å; N385-T401 WeakPolarHBondContact CB-O 3.44Å; N385-T401 PolarHBondContact O-N 2.95Å
386	R	97.7	Very high	96.7	Very high	99 Å²	99	56.8 Å²	56.8	37%	0.374	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	132.1	-174.5	-173.5	175.9	78.4	-179.2	5.4	109.6	E383 V398 L399	E383-R386 CarbonylContact C-O 3.58Å; E383-R386 WeakPolarHBondContact CA-O 2.96Å; E383-R386 HydrophobicContact CB-CB 4.18Å; E383-R386 WeakPolarHBondContact CB-O 3.46Å; E383-R386 VanDerWaalsContact CD-NE 3.27Å; E383-R386 PolarHBondContact N-O 2.84Å; E383-R386 PolarHBondContact O-N 2.97Å; E383-R386 VanDerWaalsContact O-O 3.1Å; E383-R386 IonicContact OE1-CZ 3.14Å; E383-R386 IonicContact OE1-NE 3.26Å; E383-R386 PolarHBondContact OE1-NE 2.69Å; E383-R386 IonicContact OE1-NH2 2.73Å; E383-R386 PolarHBondContact OE1-NH2 3.13Å; E383-R386 IonicContact OE2-CZ 2.66Å; E383-R386 IonicContact OE2-NE 3.12Å; E383-R386 PolarHBondContact OE2-NE 3.09Å; E383-R386 IonicContact OE2-NH2 2.71Å; E383-R386 PolarHBondContact OE2-NH2 2.81Å; R386-V398 HydrophobicContact CG-CG1 3.58Å; R386-L399 CarbonylContact C-O 3.54Å; R386-L399 WeakPolarHBondContact CA-O 3.4Å
387	I	97.7	Very high	96.8	Very high	3 Å²	3	59 Å²	59	2%	0.015	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.3	173.1	-54.8	90.4	0	0	0	107.8	P51 L52 Q381 Y382 I389 V398 L399 T401	P51-I387 HydrophobicContact CB-CG2 3.99Å; L52-I387 HydrophobicContact CD2-CD1 4.11Å; Q381-I387 WeakPolarHBondContact O-CA 3.42Å; Y382-I387 HydrophobicContact CD1-CB 4.5Å; Y382-I387 HydrophobicContact CD1-CG1 3.94Å; Y382-I387 HydrophobicContact CD1-CG2 3.81Å; Y382-I387 HydrophobicContact CE1-CG1 4.45Å; Y382-I387 HydrophobicContact CE1-CG2 3.82Å; I387-I389 HydrophobicContact CG2-CG1 4.45Å; I387-V398 CarbonylContact O-C 3.47Å; I387-V398 WeakPolarHBondContact O-CA 3.43Å; I387-L399 HydrophobicContact CB-CB 4.41Å; I387-L399 PolarHBondContact N-O 3.09Å; I387-L399 PolarHBondContact O-N 2.99Å; I387-T401 HydrophobicContact CD1-CG2 3.61Å
388	T	98.4	Very high	97	Very high	2 Å²	2	58 Å²	58	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.2	172.6	-60.8	0	0	0	0	108.9	Y380 Q381 R396	Y380-T388 WeakPolarHBondContact CA-O 3.39Å; Q381-T388 PolarHBondContact N-O 2.93Å; Q381-T388 PolarHBondContact O-N 2.82Å; T388-R396 HydrophobicContact CG2-CG 3.69Å; T388-R396 PolarHBondContact OG1-NH2 3.25Å; T388-R396 VanDerWaalsContact OG1-NH2 3.09Å
389	I	98	Very high	97	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.9	175	-54.6	167.2	0	0	0	106.7	P51 Y378 T379 Y380 I387 R396 E397 L399	P51-I389 HydrophobicContact CB-CD1 4.21Å; P51-I389 HydrophobicContact CG-CD1 4.2Å; Y378-I389 HydrophobicContact CD1-CG2 4Å; T379-I389 WeakPolarHBondContact O-CA 3.04Å; Y380-I389 HydrophobicContact CD1-CG1 3.95Å; Y380-I389 HydrophobicContact CD1-CG2 4.32Å; Y380-I389 HydrophobicContact CE1-CG1 4.11Å; Y380-I389 HydrophobicContact CE1-CG2 3.96Å; I387-I389 HydrophobicContact CG2-CG1 4.45Å; I389-R396 WeakPolarHBondContact O-CA 3.1Å; I389-E397 HydrophobicContact CB-CB 4.42Å; I389-E397 PolarHBondContact N-O 2.91Å; I389-E397 PolarHBondContact O-N 3.17Å; I389-L399 HydrophobicContact CD1-CD1 3.96Å; I389-L399 HydrophobicContact CD1-CG 4.28Å
390	T	98	Very high	97	Very high	31 Å²	31	55.3 Å²	55.3	19%	0.19	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	125.4	177	-56.6	0	0	0	0	110	Y378 T379 R395	Y378-T390 CarbonylContact C-O 3.53Å; Y378-T390 WeakPolarHBondContact CA-O 3.23Å; T379-T390 PolarHBondContact N-O 3.44Å; T379-T390 PolarHBondContact O-N 3.01Å; T379-T390 PolarHBondContact OG1-O 2.85Å; T390-R395 VanDerWaalsContact CA-O 3.31Å; T390-R395 WeakPolarHBondContact CA-O 3.48Å
391	D	96.7	Very high	96.9	Very high	10 Å²	10	55.1 Å²	55.1	5%	0.053	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	174.2	179.1	77.3	7.5	0	0	0	113.1	S377 Y378 L393 N394 R395	S377-D391 CarbonylContact O-C 3.49Å; S377-D391 VanDerWaalsContact O-C 3.3Å; S377-D391 WeakPolarHBondContact O-CA 3.18Å; Y378-D391 HydrophobicContact CD1-CB 3.76Å; Y378-D391 HydrophobicContact CE1-CB 3.67Å; D391-L393 PolarHBondContact O-N 2.63Å; D391-L393 VanDerWaalsContact O-N 3.17Å; D391-L393 WeakPolarHBondContact OD1-CA 3.44Å; D391-L393 WeakPolarHBondContact OD1-CB 3.4Å; D391-L393 PolarHBondContact OD1-N 3.02Å; D391-N394 WeakPolarHBondContact O-CA 3.4Å; D391-N394 PolarHBondContact O-N 2.84Å; D391-N394 PolarHBondContact OD1-N 3.21Å; D391-R395 PolarHBondContact N-O 2.79Å; D391-R395 VanDerWaalsContact N-O 3.08Å; D391-R395 WeakPolarHBondContact OD1-CB 3.24Å; D391-R395 PolarHBondContact OD1-N 2.92Å; D391-R395 IonicContact OD1-NE 3.7Å; D391-R395 IonicContact OD2-CZ 3.74Å; D391-R395 IonicContact OD2-NE 3.93Å; D391-R395 PolarHBondContact OD2-NE 3.27Å; D391-R395 IonicContact OD2-NH2 2.96Å; D391-R395 PolarHBondContact OD2-NH2 2.72Å
392	S	96.4	Very high	96.7	Very high	59 Å²	59	55.6 Å²	55.6	41%	0.413	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-4.6	179.7	53.9	0	0	0	0	114.6	L376 S377 N394	L376-S392 WeakPolarHBondContact CA-OG 3.44Å; S377-S392 PolarHBondContact N-OG 3.25Å; S377-S392 VanDerWaalsContact N-OG 3.1Å; S377-S392 PolarHBondContact O-N 3.4Å; S392-N394 VanDerWaalsContact C-N 3.33Å
393	L	95.7	Very high	96.4	Very high	70 Å²	70	55.8 Å²	55.8	37%	0.366	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	9.1	168	-60.5	179.5	0	0	0	111.6	L376 D391 R395 A640	L376-L393 HydrophobicContact CD2-CD1 3.71Å; L376-L393 HydrophobicContact CD2-CG 3.61Å; D391-L393 PolarHBondContact O-N 2.63Å; D391-L393 VanDerWaalsContact O-N 3.17Å; D391-L393 WeakPolarHBondContact OD1-CA 3.44Å; D391-L393 WeakPolarHBondContact OD1-CB 3.4Å; D391-L393 PolarHBondContact OD1-N 3.02Å; L393-R395 HydrophobicContact CB-CG 4.06Å; L393-R395 PolarHBondContact O-N 3.26Å; L393-A640 HydrophobicContact CD1-CB 4.13Å
394	N	96.6	Very high	96	Very high	139 Å²	139	58.1 Å²	58.1	74%	0.743	29%	0.287	S	S	*	.			trans	61.4	22.1	-175.3	-58.6	-58.1	0	0	0	114.2	D391 S392	D391-N394 WeakPolarHBondContact O-CA 3.4Å; D391-N394 PolarHBondContact O-N 2.84Å; D391-N394 PolarHBondContact OD1-N 3.21Å; S392-N394 VanDerWaalsContact C-N 3.33Å
395	R	97	Very high	95.7	Very high	37 Å²	37	52.5 Å²	52.5	14%	0.14	27%	0.273	C	S	.	.			trans	-78.2	133.1	173.5	-56.5	-173.2	-63.4	169.6	-2.3	108.9	T390 D391 L393 A416 V660 D662	T390-R395 VanDerWaalsContact CA-O 3.31Å; T390-R395 WeakPolarHBondContact CA-O 3.48Å; D391-R395 PolarHBondContact N-O 2.79Å; D391-R395 VanDerWaalsContact N-O 3.08Å; D391-R395 WeakPolarHBondContact OD1-CB 3.24Å; D391-R395 PolarHBondContact OD1-N 2.92Å; D391-R395 IonicContact OD1-NE 3.7Å; D391-R395 IonicContact OD2-CZ 3.74Å; D391-R395 IonicContact OD2-NE 3.93Å; D391-R395 PolarHBondContact OD2-NE 3.27Å; D391-R395 IonicContact OD2-NH2 2.96Å; D391-R395 PolarHBondContact OD2-NH2 2.72Å; L393-R395 HydrophobicContact CB-CG 4.06Å; L393-R395 PolarHBondContact O-N 3.26Å; R395-A416 HydrophobicContact CB-CB 3.81Å; R395-A416 HydrophobicContact CG-CB 4.49Å; R395-V660 WeakPolarHBondContact CD-O 3.43Å; R395-V660 HydrophobicContact CG-CB 4.41Å; R395-V660 PolarHBondContact NH1-O 3.09Å; R395-D662 IonicContact CZ-OD1 3.71Å; R395-D662 IonicContact CZ-OD2 2.71Å; R395-D662 IonicContact NH1-OD1 3.11Å; R395-D662 PolarHBondContact NH1-OD1 3.02Å; R395-D662 IonicContact NH1-OD2 2.68Å; R395-D662 PolarHBondContact NH1-OD2 2.98Å; R395-D662 IonicContact NH2-OD1 3.04Å; R395-D662 IonicContact NH2-OD2 2.82Å
396	R	97.4	Very high	95.2	Very high	110 Å²	110	49 Å²	49	42%	0.415	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.1	-172.6	-176.5	177.1	176.5	-98.2	-8	111.3	T388 I389 V398 L415 A416	T388-R396 HydrophobicContact CG2-CG 3.69Å; T388-R396 PolarHBondContact OG1-NH2 3.25Å; T388-R396 VanDerWaalsContact OG1-NH2 3.09Å; I389-R396 WeakPolarHBondContact O-CA 3.1Å; R396-V398 HydrophobicContact CG-CG2 4.27Å; R396-V398 VanDerWaalsContact NH1-CG2 3.26Å; R396-L415 CarbonylContact O-C 3.49Å; R396-A416 WeakPolarHBondContact O-CA 3.39Å; R396-A416 PolarHBondContact O-N 2.79Å
397	E	96.8	Very high	94.7	Very high	63 Å²	63	46.7 Å²	46.7	29%	0.294	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.5	169.9	-176.6	-176.5	-165.6	0	0	109.6	I389 L399 T413 E414 L415	I389-E397 HydrophobicContact CB-CB 4.42Å; I389-E397 PolarHBondContact N-O 2.91Å; I389-E397 PolarHBondContact O-N 3.17Å; E397-L399 HydrophobicContact CG-CD2 4.2Å; E397-T413 HydrophobicContact CG-CG2 3.99Å; E397-T413 WeakPolarHBondContact OE1-CG2 3.44Å; E397-E414 CarbonylContact C-O 3.53Å; E397-E414 VanDerWaalsContact CA-O 3.3Å; E397-E414 WeakPolarHBondContact CA-O 3.29Å; E397-L415 HydrophobicContact CG-CD2 4.42Å
398	V	98.4	Very high	94.4	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119.1	179.3	-165.3	0	0	0	0	110.8	R386 I387 R396 T413 E414	R386-V398 HydrophobicContact CG-CG1 3.58Å; I387-V398 CarbonylContact O-C 3.47Å; I387-V398 WeakPolarHBondContact O-CA 3.43Å; R396-V398 HydrophobicContact CG-CG2 4.27Å; R396-V398 VanDerWaalsContact NH1-CG2 3.26Å; V398-T413 CarbonylContact O-C 3.59Å; V398-T413 WeakPolarHBondContact O-CA 3.32Å; V398-E414 HydrophobicContact CB-CB 4Å; V398-E414 HydrophobicContact CB-CG 4.32Å; V398-E414 HydrophobicContact CG2-CB 4.29Å; V398-E414 PolarHBondContact N-O 2.82Å; V398-E414 PolarHBondContact O-N 2.83Å
399	L	97.7	Very high	94.1	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.037	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.6	175.4	-50.8	-177.4	0	0	0	109.5	V43 P51 R386 I387 I389 E397 V410 T413	V43-L399 HydrophobicContact CG1-CD1 4.4Å; P51-L399 HydrophobicContact CB-CD1 4.2Å; P51-L399 HydrophobicContact CG-CD1 3.65Å; R386-L399 CarbonylContact C-O 3.54Å; R386-L399 WeakPolarHBondContact CA-O 3.4Å; I387-L399 HydrophobicContact CB-CB 4.41Å; I387-L399 PolarHBondContact N-O 3.09Å; I387-L399 PolarHBondContact O-N 2.99Å; I389-L399 HydrophobicContact CD1-CD1 3.96Å; I389-L399 HydrophobicContact CD1-CG 4.28Å; E397-L399 HydrophobicContact CG-CD2 4.2Å; L399-V410 HydrophobicContact CB-CG1 4.27Å; L399-V410 HydrophobicContact CB-CG2 4.36Å; L399-V410 HydrophobicContact CD1-CG2 4.35Å; L399-V410 HydrophobicContact CD2-CG1 4.21Å; L399-T413 HydrophobicContact CD2-CG2 3.87Å
400	H	98.2	Very high	94	Very high	39 Å²	39	51.3 Å²	51.3	18%	0.181	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.6	172.5	-58.4	-112.3	0	0	0	109.1	N385 V410 V411 K412 E414	N385-H400 WeakPolarHBondContact O-CA 3.35Å; H400-V410 CarbonylContact O-C 3.4Å; H400-V410 WeakPolarHBondContact O-CA 3.32Å; H400-V411 PolarHBondContact O-N 2.99Å; H400-K412 HydrophobicContact CB-CB 4.04Å; H400-K412 WeakPolarHBondContact CD2-CE 3.43Å; H400-K412 PolarHBondContact CE1-NZ 2.92Å; H400-K412 VanDerWaalsContact CG-CE 3.41Å; H400-K412 PolarHBondContact N-O 2.76Å; H400-K412 WeakPolarHBondContact NE2-CE 3.49Å; H400-K412 PolarHBondContact NE2-NZ 2.86Å; H400-K412 PolarHBondContact O-N 2.71Å; H400-E414 IonicContact CD2-OE1 3.95Å; H400-E414 IonicContact CE1-OE1 2.94Å; H400-E414 PolarHBondContact CE1-OE1 3.38Å; H400-E414 VanDerWaalsContact CE1-OE1 3.31Å; H400-E414 VanDerWaalsContact NE2-CD 3.3Å; H400-E414 IonicContact NE2-OE1 3.19Å; H400-E414 PolarHBondContact NE2-OE1 2.97Å; H400-E414 IonicContact NE2-OE2 3.33Å
401	T	96.4	Very high	94	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146	-168.7	65	0	0	0	0	112.7	L52 N385 I387 K408 R409 V410	L52-T401 HydrophobicContact CD2-CG2 3.41Å; L52-T401 VanDerWaalsContact CD2-CG2 3.41Å; N385-T401 WeakPolarHBondContact CA-OG1 3.32Å; N385-T401 WeakPolarHBondContact CB-O 3.44Å; N385-T401 PolarHBondContact O-N 2.95Å; I387-T401 HydrophobicContact CD1-CG2 3.61Å; T401-K408 WeakPolarHBondContact OG1-CE 3.25Å; T401-R409 CarbonylContact C-O 3.51Å; T401-R409 WeakPolarHBondContact CA-O 3.42Å; T401-R409 WeakPolarHBondContact CB-O 3.26Å; T401-V410 HydrophobicContact CG2-CG2 4.35Å
402	E	94.9	Very high	94	Very high	127 Å²	127	51.9 Å²	51.9	59%	0.593	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.6	162.9	169.5	-69.8	177.2	-168.4	0	0	110.1	K408 R409 V411	E402-K408 CarbonylContact O-C 3.59Å; E402-K408 WeakPolarHBondContact O-CA 3.45Å; E402-R409 PolarHBondContact N-O 3.38Å; E402-R409 PolarHBondContact O-N 2.68Å; E402-V411 HydrophobicContact CB-CG1 3.88Å; E402-V411 HydrophobicContact CB-CG2 4.41Å; E402-V411 HydrophobicContact CG-CG1 4.08Å; E402-V411 HydrophobicContact CG-CG2 3.8Å
403	G	89.9	Confident	94.1	Very high	40 Å²	40	50.1 Å²	50.1	41%	0.412	26%	0.257	S	S	.	.	S	Bend	trans	78.8	173.8	-174.4	0	0	0	0	0	113.3
404	E	87.4	Confident	94.2	Very high	130 Å²	130	49 Å²	49	61%	0.607	25%	0.25	S	S	*	.			trans	-132.9	161.2	-175.6	-68.6	-68.4	173.5	0	0	110.3	G406 L407 K408	E404-G406 PolarHBondContact O-N 2.86Å; E404-L407 CarbonylContact O-C 3.51Å; E404-L407 WeakPolarHBondContact O-CA 3.43Å; E404-L407 PolarHBondContact O-N 2.89Å; E404-K408 PolarHBondContact O-N 3.47Å
405	A	85.4	Confident	94.2	Very high	53 Å²	53	45 Å²	45	44%	0.438	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	50.5	-131.7	176	0	0	0	0	0	112.7	C36 L407 K408	C36-A405 WeakPolarHBondContact O-CB 3.48Å; A405-L407 PolarHBondContact O-N 2.78Å; A405-K408 PolarHBondContact O-N 3.21Å
406	G	84.1	Confident	94.2	Very high	1 Å²	1	45 Å²	45	1%	0.01	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-63.4	-16.2	177	0	0	0	0	0	115.4	A35 S37 E404 R409	A35-G406 WeakPolarHBondContact O-CA 3.35Å; A35-G406 PolarHBondContact O-N 2.88Å; S37-G406 WeakPolarHBondContact O-CA 3.3Å; E404-G406 PolarHBondContact O-N 2.86Å; G406-R409 PolarHBondContact O-NH1 2.99Å
407	L	87.1	Confident	94.1	Very high	51 Å²	51	42.4 Å²	42.4	27%	0.267	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-100.6	5.4	-179.3	-61.5	-179.8	0	0	0	113.2	V34 E404 A405 R409	V34-L407 HydrophobicContact CG1-CD1 4.49Å; V34-L407 HydrophobicContact CG1-CG 4.15Å; E404-L407 CarbonylContact O-C 3.51Å; E404-L407 WeakPolarHBondContact O-CA 3.43Å; E404-L407 PolarHBondContact O-N 2.89Å; A405-L407 PolarHBondContact O-N 2.78Å; L407-R409 PolarHBondContact O-N 3.2Å
408	K	91.2	Very high	93.9	Very high	36 Å²	36	42 Å²	42	16%	0.157	24%	0.243	C	C	.	.			trans	-63.4	132.4	171.7	-168	168.8	-172.8	168.6	0	110	V38 K384 T401 E402 E404 A405	V38-K408 HydrophobicContact CG1-CB 3.91Å; V38-K408 WeakPolarHBondContact CG1-O 3.36Å; K384-K408 PolarHBondContact O-NZ 3.15Å; T401-K408 WeakPolarHBondContact OG1-CE 3.25Å; E402-K408 CarbonylContact O-C 3.59Å; E402-K408 WeakPolarHBondContact O-CA 3.45Å; E404-K408 PolarHBondContact O-N 3.47Å; A405-K408 PolarHBondContact O-N 3.21Å
409	R	93.3	Very high	93.8	Very high	47 Å²	47	42.2 Å²	42.2	18%	0.177	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	150.5	-177.7	-63.6	-66.2	179.7	-88.7	2	111	T401 E402 G406 L407 F425 G429	T401-R409 CarbonylContact C-O 3.51Å; T401-R409 WeakPolarHBondContact CA-O 3.42Å; T401-R409 WeakPolarHBondContact CB-O 3.26Å; E402-R409 PolarHBondContact N-O 3.38Å; E402-R409 PolarHBondContact O-N 2.68Å; G406-R409 PolarHBondContact O-NH1 2.99Å; L407-R409 PolarHBondContact O-N 3.2Å; R409-F425 HydrophobicContact CB-CD1 4.43Å; R409-F425 HydrophobicContact CB-CD2 3.57Å; R409-F425 HydrophobicContact CB-CE1 4.4Å; R409-F425 HydrophobicContact CB-CE2 3.56Å; R409-F425 HydrophobicContact CB-CG 4.05Å; R409-F425 HydrophobicContact CB-CZ 3.99Å; R409-F425 HydrophobicContact CG-CB 4.33Å; R409-F425 HydrophobicContact CG-CD1 3.91Å; R409-F425 HydrophobicContact CG-CD2 3.82Å; R409-F425 HydrophobicContact CG-CE1 4.17Å; R409-F425 HydrophobicContact CG-CE2 4.11Å; R409-F425 HydrophobicContact CG-CG 3.74Å; R409-F425 HydrophobicContact CG-CZ 4.26Å; R409-G429 PolarHBondContact NE-O 2.88Å; R409-G429 PolarHBondContact NH2-O 3.13Å; R409-G429 VanDerWaalsContact NH2-O 3.09Å
410	V	95.4	Very high	93.8	Very high	23 Å²	23	45 Å²	45	14%	0.139	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	111.8	168.5	179.4	0	0	0	0	108.1	V43 L52 L399 H400 T401 T413 F425	V43-V410 HydrophobicContact CG2-CG2 4.48Å; L52-V410 HydrophobicContact CD1-CG2 4.2Å; L52-V410 HydrophobicContact CD2-CG2 3.85Å; L52-V410 HydrophobicContact CG-CG2 4.4Å; L399-V410 HydrophobicContact CB-CG1 4.27Å; L399-V410 HydrophobicContact CB-CG2 4.36Å; L399-V410 HydrophobicContact CD1-CG2 4.35Å; L399-V410 HydrophobicContact CD2-CG1 4.21Å; H400-V410 CarbonylContact O-C 3.4Å; H400-V410 WeakPolarHBondContact O-CA 3.32Å; T401-V410 HydrophobicContact CG2-CG2 4.35Å; V410-T413 WeakPolarHBondContact CG1-OG1 3.31Å; V410-F425 WeakPolarHBondContact O-CE2 3.43Å
411	V	97	Very high	93.8	Very high	22 Å²	22	45.4 Å²	45.4	13%	0.133	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-17.2	-178	-63.4	0	0	0	0	112.9	H400 E402 R422 S423 F425	H400-V411 PolarHBondContact O-N 2.99Å; E402-V411 HydrophobicContact CB-CG1 3.88Å; E402-V411 HydrophobicContact CB-CG2 4.41Å; E402-V411 HydrophobicContact CG-CG1 4.08Å; E402-V411 HydrophobicContact CG-CG2 3.8Å; V411-R422 CarbonylContact O-C 3.51Å; V411-R422 VanDerWaalsContact O-CA 3.24Å; V411-R422 WeakPolarHBondContact O-CA 3.26Å; V411-S423 WeakPolarHBondContact CA-O 3.38Å; V411-S423 PolarHBondContact O-N 3.18Å; V411-F425 HydrophobicContact CG1-CD2 4.29Å; V411-F425 HydrophobicContact CG1-CE2 4.39Å
412	K	98.3	Very high	93.9	Very high	32 Å²	32	51.6 Å²	51.6	14%	0.139	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	136.8	175.5	-174.2	-170.4	80	164.1	0	110.2	H400 E414 I420 T421 R422	H400-K412 HydrophobicContact CB-CB 4.04Å; H400-K412 WeakPolarHBondContact CD2-CE 3.43Å; H400-K412 PolarHBondContact CE1-NZ 2.92Å; H400-K412 VanDerWaalsContact CG-CE 3.41Å; H400-K412 PolarHBondContact N-O 2.76Å; H400-K412 WeakPolarHBondContact NE2-CE 3.49Å; H400-K412 PolarHBondContact NE2-NZ 2.86Å; H400-K412 PolarHBondContact O-N 2.71Å; K412-E414 VanDerWaalsContact CE-OE1 3.26Å; K412-E414 WeakPolarHBondContact CE-OE1 3.06Å; K412-E414 IonicContact NZ-OE1 2.62Å; K412-E414 PolarHBondContact NZ-OE1 2.89Å; K412-I420 HydrophobicContact CD-CG2 3.71Å; K412-I420 HydrophobicContact CG-CG2 3.44Å; K412-I420 VanDerWaalsContact CG-CG2 3.44Å; K412-T421 CarbonylContact C-O 3.53Å; K412-T421 VanDerWaalsContact CA-O 3.25Å; K412-T421 WeakPolarHBondContact CA-O 3.35Å; K412-T421 WeakPolarHBondContact CG-O 3.37Å; K412-R422 HydrophobicContact CB-CG 4.22Å; K412-R422 HydrophobicContact CG-CG 3.95Å
413	T	98	Very high	94	Very high	21 Å²	21	46.7 Å²	46.7	13%	0.129	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.2	172.9	-62.3	0	0	0	0	108.9	E397 V398 L399 V410 L415 I420 T421	E397-T413 HydrophobicContact CG-CG2 3.99Å; E397-T413 WeakPolarHBondContact OE1-CG2 3.44Å; V398-T413 CarbonylContact O-C 3.59Å; V398-T413 WeakPolarHBondContact O-CA 3.32Å; L399-T413 HydrophobicContact CD2-CG2 3.87Å; V410-T413 WeakPolarHBondContact CG1-OG1 3.31Å; T413-L415 HydrophobicContact CG2-CD2 3.84Å; T413-L415 HydrophobicContact CG2-CG 4.4Å; T413-I420 CarbonylContact O-C 3.56Å; T413-I420 VanDerWaalsContact O-CA 3.28Å; T413-I420 WeakPolarHBondContact O-CA 3.38Å; T413-T421 PolarHBondContact N-O 2.92Å; T413-T421 PolarHBondContact O-N 2.8Å
414	E	98.1	Very high	94.3	Very high	46 Å²	46	51.3 Å²	51.3	22%	0.215	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.7	168.4	-54.2	171.1	-171.4	0	0	107.6	E397 V398 H400 K412 S419 I420	E397-E414 CarbonylContact C-O 3.53Å; E397-E414 VanDerWaalsContact CA-O 3.3Å; E397-E414 WeakPolarHBondContact CA-O 3.29Å; V398-E414 HydrophobicContact CB-CB 4Å; V398-E414 HydrophobicContact CB-CG 4.32Å; V398-E414 HydrophobicContact CG2-CB 4.29Å; V398-E414 PolarHBondContact N-O 2.82Å; V398-E414 PolarHBondContact O-N 2.83Å; H400-E414 IonicContact CD2-OE1 3.95Å; H400-E414 IonicContact CE1-OE1 2.94Å; H400-E414 PolarHBondContact CE1-OE1 3.38Å; H400-E414 VanDerWaalsContact CE1-OE1 3.31Å; H400-E414 VanDerWaalsContact NE2-CD 3.3Å; H400-E414 IonicContact NE2-OE1 3.19Å; H400-E414 PolarHBondContact NE2-OE1 2.97Å; H400-E414 IonicContact NE2-OE2 3.33Å; K412-E414 VanDerWaalsContact CE-OE1 3.26Å; K412-E414 WeakPolarHBondContact CE-OE1 3.06Å; K412-E414 IonicContact NZ-OE1 2.62Å; K412-E414 PolarHBondContact NZ-OE1 2.89Å; E414-S419 WeakPolarHBondContact CA-O 3.36Å; E414-I420 HydrophobicContact CG-CD1 4.2Å; E414-I420 HydrophobicContact CG-CG1 4.11Å
415	L	96.1	Very high	94.5	Very high	57 Å²	57	47.9 Å²	47.9	30%	0.298	26%	0.259	S	S	.	.			trans	-85.3	171.2	178.8	-62.5	177.7	0	0	0	111.3	R396 E397 T413 D417 G418 S419 L661	R396-L415 CarbonylContact O-C 3.49Å; E397-L415 HydrophobicContact CG-CD2 4.42Å; T413-L415 HydrophobicContact CG2-CD2 3.84Å; T413-L415 HydrophobicContact CG2-CG 4.4Å; L415-D417 VanDerWaalsContact C-N 3.25Å; L415-D417 PolarHBondContact O-N 3.05Å; L415-G418 WeakPolarHBondContact O-CA 3.35Å; L415-G418 PolarHBondContact O-N 2.85Å; L415-S419 WeakPolarHBondContact CB-OG 3.24Å; L415-S419 WeakPolarHBondContact CD1-OG 3.45Å; L415-S419 PolarHBondContact N-O 3.23Å; L415-L661 HydrophobicContact CB-CD2 4.03Å
416	A	96	Very high	94.6	Very high	36 Å²	36	46.1 Å²	46.1	30%	0.298	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.3	-173.6	0	0	0	0	0	114.9	R395 R396 G418 V660 L661	R395-A416 HydrophobicContact CB-CB 3.81Å; R395-A416 HydrophobicContact CG-CB 4.49Å; R396-A416 WeakPolarHBondContact O-CA 3.39Å; R396-A416 PolarHBondContact O-N 2.79Å; A416-G418 VanDerWaalsContact C-N 3.28Å; A416-V660 HydrophobicContact CB-CB 4.2Å; A416-V660 HydrophobicContact CB-CG2 4.23Å; A416-L661 HydrophobicContact CB-CD2 4.36Å
417	D	95.5	Very high	94.6	Very high	56 Å²	56	54.4 Å²	54.4	30%	0.299	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-0.8	173.5	71.5	-25.2	0	0	0	113.2	L415 S419 V660 L661	L415-D417 VanDerWaalsContact C-N 3.25Å; L415-D417 PolarHBondContact O-N 3.05Å; D417-S419 WeakPolarHBondContact OD1-CB 3.41Å; D417-S419 PolarHBondContact OD1-N 3.25Å; D417-S419 PolarHBondContact OD1-OG 2.87Å; D417-S419 PolarHBondContact OD2-OG 3.12Å; D417-V660 HydrophobicContact CB-CG2 3.74Å; D417-L661 HydrophobicContact CB-CD1 4.25Å; D417-L661 HydrophobicContact CB-CD2 4.41Å; D417-L661 HydrophobicContact CB-CG 4.15Å; D417-L661 WeakPolarHBondContact OD2-CD1 3.32Å
418	G	94.2	Very high	94.3	Very high	54 Å²	54	52.5 Å²	52.5	56%	0.557	26%	0.264	S	S	*	.	S	Bend	trans	86.7	-0.6	-176.1	0	0	0	0	0	114.5	L415 A416	L415-G418 WeakPolarHBondContact O-CA 3.35Å; L415-G418 PolarHBondContact O-N 2.85Å; A416-G418 VanDerWaalsContact C-N 3.28Å
419	S	95.7	Very high	94	Very high	6 Å²	6	51.3 Å²	51.3	4%	0.042	26%	0.262	C	S	.	.			trans	-65.6	149.1	173.4	65.7	0	0	0	0	111.2	E414 L415 D417	E414-S419 WeakPolarHBondContact CA-O 3.36Å; L415-S419 WeakPolarHBondContact CB-OG 3.24Å; L415-S419 WeakPolarHBondContact CD1-OG 3.45Å; L415-S419 PolarHBondContact N-O 3.23Å; D417-S419 WeakPolarHBondContact OD1-CB 3.41Å; D417-S419 PolarHBondContact OD1-N 3.25Å; D417-S419 PolarHBondContact OD1-OG 2.87Å; D417-S419 PolarHBondContact OD2-OG 3.12Å
420	I	97.5	Very high	93.7	Very high	64 Å²	64	50.5 Å²	50.5	33%	0.328	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125	-172.6	-57.7	-174.8	0	0	0	110.6	K412 T413 E414 R422 A437	K412-I420 HydrophobicContact CD-CG2 3.71Å; K412-I420 HydrophobicContact CG-CG2 3.44Å; K412-I420 VanDerWaalsContact CG-CG2 3.44Å; T413-I420 CarbonylContact O-C 3.56Å; T413-I420 VanDerWaalsContact O-CA 3.28Å; T413-I420 WeakPolarHBondContact O-CA 3.38Å; E414-I420 HydrophobicContact CG-CD1 4.2Å; E414-I420 HydrophobicContact CG-CG1 4.11Å; I420-R422 HydrophobicContact CG2-CG 4.47Å; I420-A437 VanDerWaalsContact O-CA 3.26Å; I420-A437 WeakPolarHBondContact O-CA 3.2Å
421	T	97.3	Very high	93.5	Very high	48 Å²	48	51.8 Å²	51.8	29%	0.294	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	153.8	167.9	63.5	0	0	0	0	110.6	K412 T413 T435	K412-T421 CarbonylContact C-O 3.53Å; K412-T421 VanDerWaalsContact CA-O 3.25Å; K412-T421 WeakPolarHBondContact CA-O 3.35Å; K412-T421 WeakPolarHBondContact CG-O 3.37Å; T413-T421 PolarHBondContact N-O 2.92Å; T413-T421 PolarHBondContact O-N 2.8Å; T421-T435 CarbonylContact C-O 3.59Å; T421-T435 WeakPolarHBondContact CA-O 3.29Å
422	R	98.4	Very high	93.3	Very high	134 Å²	134	55 Å²	55	51%	0.506	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.3	178.5	-66.3	175.8	177.7	-93.4	4.8	111.1	V411 K412 I420 Q434 T435	V411-R422 CarbonylContact O-C 3.51Å; V411-R422 VanDerWaalsContact O-CA 3.24Å; V411-R422 WeakPolarHBondContact O-CA 3.26Å; K412-R422 HydrophobicContact CB-CG 4.22Å; K412-R422 HydrophobicContact CG-CG 3.95Å; I420-R422 HydrophobicContact CG2-CG 4.47Å; R422-Q434 CarbonylContact O-C 3.57Å; R422-Q434 VanDerWaalsContact O-CA 3.32Å; R422-Q434 WeakPolarHBondContact O-CA 3.43Å; R422-T435 PolarHBondContact N-O 2.96Å; R422-T435 PolarHBondContact O-N 3.06Å
423	S	97.5	Very high	93.3	Very high	23 Å²	23	54.1 Å²	54.1	16%	0.161	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.6	173.4	-66.2	0	0	0	0	109.6	V411 S433	V411-S423 WeakPolarHBondContact CA-O 3.38Å; V411-S423 PolarHBondContact O-N 3.18Å; S423-S433 CarbonylContact C-O 3.49Å; S423-S433 WeakPolarHBondContact CA-O 3.23Å
424	K	96.4	Very high	93.3	Very high	138 Å²	138	56.9 Å²	56.9	60%	0.6	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.4	171.1	-67.6	-174.9	179.8	177.3	0	109.7	Q432 S433	K424-Q432 PolarHBondContact O-N 3.32Å; K424-S433 PolarHBondContact N-O 2.95Å; K424-S433 PolarHBondContact O-N 2.99Å
425	F	92	Very high	93.3	Very high	58 Å²	58	56.2 Å²	56.2	25%	0.254	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.7	-179.2	-57.8	-94.4	0	0	0	109.9	R409 V410 V411 R430 L431	R409-F425 HydrophobicContact CB-CD1 4.43Å; R409-F425 HydrophobicContact CB-CD2 3.57Å; R409-F425 HydrophobicContact CB-CE1 4.4Å; R409-F425 HydrophobicContact CB-CE2 3.56Å; R409-F425 HydrophobicContact CB-CG 4.05Å; R409-F425 HydrophobicContact CB-CZ 3.99Å; R409-F425 HydrophobicContact CG-CB 4.33Å; R409-F425 HydrophobicContact CG-CD1 3.91Å; R409-F425 HydrophobicContact CG-CD2 3.82Å; R409-F425 HydrophobicContact CG-CE1 4.17Å; R409-F425 HydrophobicContact CG-CE2 4.11Å; R409-F425 HydrophobicContact CG-CG 3.74Å; R409-F425 HydrophobicContact CG-CZ 4.26Å; V410-F425 WeakPolarHBondContact O-CE2 3.43Å; V411-F425 HydrophobicContact CG1-CD2 4.29Å; V411-F425 HydrophobicContact CG1-CE2 4.39Å; F425-R430 CarbonylContact C-O 3.55Å; F425-R430 WeakPolarHBondContact CA-O 3.41Å; F425-L431 HydrophobicContact CD1-CB 4.44Å; F425-L431 HydrophobicContact CD1-CD1 4.34Å; F425-L431 HydrophobicContact CE1-CB 4.32Å; F425-L431 HydrophobicContact CE1-CD1 3.85Å; F425-L431 HydrophobicContact CZ-CD1 4.05Å
426	D	87.6	Confident	93.2	Very high	15 Å²	15	55.5 Å²	55.5	8%	0.08	28%	0.283	C	S	.	.			trans	-75.1	175	170.4	69.2	16.3	0	0	0	111.7	M428 G429 R430 Q432	D426-M428 PolarHBondContact O-N 3.45Å; D426-M428 VanDerWaalsContact O-N 3.1Å; D426-M428 VanDerWaalsContact OD1-CA 3.3Å; D426-M428 WeakPolarHBondContact OD1-CA 3.18Å; D426-M428 WeakPolarHBondContact OD1-CB 3.46Å; D426-M428 PolarHBondContact OD1-N 3.04Å; D426-G429 PolarHBondContact O-N 2.87Å; D426-G429 PolarHBondContact OD1-N 3.38Å; D426-R430 PolarHBondContact N-O 2.85Å; D426-R430 PolarHBondContact OD1-N 3.36Å; D426-R430 IonicContact OD1-NE 3.7Å; D426-R430 IonicContact OD2-CZ 3.67Å; D426-R430 IonicContact OD2-NE 2.65Å; D426-R430 PolarHBondContact OD2-NE 2.79Å; D426-R430 IonicContact OD2-NH2 3.59Å; D426-R430 PolarHBondContact OD2-NH2 2.97Å; D426-Q432 HydrophobicContact CB-CG 3.78Å; D426-Q432 VanDerWaalsContact CB-NE2 3.33Å
427	Y	83.1	Confident	93.2	Very high	176 Å²	176	54.9 Å²	54.9	69%	0.69	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.2	178.9	70.7	-88.6	0	0	0	114
428	M	82.1	Confident	93	Very high	10 Å²	10	55 Å²	55	5%	0.049	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.2	173.4	-63.1	157.5	64.8	0	0	111.5	R135 D426 R430	R135-M428 HydrophobicContact CB-CE 3.54Å; R135-M428 HydrophobicContact CB-CG 4.3Å; R135-M428 HydrophobicContact CG-CE 3.69Å; D426-M428 PolarHBondContact O-N 3.45Å; D426-M428 VanDerWaalsContact O-N 3.1Å; D426-M428 VanDerWaalsContact OD1-CA 3.3Å; D426-M428 WeakPolarHBondContact OD1-CA 3.18Å; D426-M428 WeakPolarHBondContact OD1-CB 3.46Å; D426-M428 PolarHBondContact OD1-N 3.04Å; M428-R430 HydrophobicContact CB-CG 4.27Å; M428-R430 VanDerWaalsContact CE-NH1 3.27Å; M428-R430 VanDerWaalsContact SD-CZ 3.51Å; M428-R430 PolarHBondContact SD-NH2 2.76Å; M428-R430 VanDerWaalsContact SD-NH2 3.42Å
429	G	83.5	Confident	92.9	Very high	11 Å²	11	55 Å²	55	11%	0.113	29%	0.286	C	S	.	.	S	Bend	trans	80.6	18.2	-179.8	0	0	0	0	0	114.1	R409 D426	R409-G429 PolarHBondContact NE-O 2.88Å; R409-G429 PolarHBondContact NH2-O 3.13Å; R409-G429 VanDerWaalsContact NH2-O 3.09Å; D426-G429 PolarHBondContact O-N 2.87Å; D426-G429 PolarHBondContact OD1-N 3.38Å
430	R	87.5	Confident	92.7	Very high	31 Å²	31	56.6 Å²	56.6	12%	0.117	29%	0.292	C	S	.	.			trans	-92.4	146.5	178.1	-53.8	174.6	-61.6	177	10.4	110.1	F425 D426 M428 Q432 N447 G451	F425-R430 CarbonylContact C-O 3.55Å; F425-R430 WeakPolarHBondContact CA-O 3.41Å; D426-R430 PolarHBondContact N-O 2.85Å; D426-R430 PolarHBondContact OD1-N 3.36Å; D426-R430 IonicContact OD1-NE 3.7Å; D426-R430 IonicContact OD2-CZ 3.67Å; D426-R430 IonicContact OD2-NE 2.65Å; D426-R430 PolarHBondContact OD2-NE 2.79Å; D426-R430 IonicContact OD2-NH2 3.59Å; D426-R430 PolarHBondContact OD2-NH2 2.97Å; M428-R430 HydrophobicContact CB-CG 4.27Å; M428-R430 VanDerWaalsContact CE-NH1 3.27Å; M428-R430 VanDerWaalsContact SD-CZ 3.51Å; M428-R430 PolarHBondContact SD-NH2 2.76Å; M428-R430 VanDerWaalsContact SD-NH2 3.42Å; R430-Q432 PolarHBondContact O-N 2.75Å; R430-N447 PolarHBondContact NH1-O 3.5Å; R430-G451 VanDerWaalsContact NH1-CA 3.31Å
431	L	91.3	Very high	92.7	Very high	50 Å²	50	55.8 Å²	55.8	26%	0.262	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	125.4	-178.8	-173.9	66.3	0	0	0	110.7	F425 Q434 Y444	F425-L431 HydrophobicContact CD1-CB 4.44Å; F425-L431 HydrophobicContact CD1-CD1 4.34Å; F425-L431 HydrophobicContact CE1-CB 4.32Å; F425-L431 HydrophobicContact CE1-CD1 3.85Å; F425-L431 HydrophobicContact CZ-CD1 4.05Å; L431-Q434 HydrophobicContact CD1-CG 3.73Å; L431-Q434 HydrophobicContact CD2-CG 3.84Å; L431-Q434 HydrophobicContact CG-CG 4.18Å; L431-Y444 HydrophobicContact CD2-CD2 3.81Å; L431-Y444 HydrophobicContact CD2-CE2 3.71Å; L431-Y444 HydrophobicContact CD2-CG 4.42Å; L431-Y444 HydrophobicContact CG-CD2 3.91Å; L431-Y444 HydrophobicContact CG-CE2 4.23Å
432	Q	93.8	Very high	92.6	Very high	90 Å²	90	55 Å²	55	42%	0.421	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-39.6	176.2	-78.4	-171.8	-30.8	0	0	112.4	K424 D426 R430 E443 Y444	K424-Q432 PolarHBondContact O-N 3.32Å; D426-Q432 HydrophobicContact CB-CG 3.78Å; D426-Q432 VanDerWaalsContact CB-NE2 3.33Å; R430-Q432 PolarHBondContact O-N 2.75Å; Q432-E443 WeakPolarHBondContact O-CA 3.23Å; Q432-Y444 PolarHBondContact O-N 2.9Å
433	S	97.4	Very high	92.5	Very high	13 Å²	13	53.6 Å²	53.6	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	156.8	175.9	69.1	0	0	0	0	112.3	S423 K424 T442	S423-S433 CarbonylContact C-O 3.49Å; S423-S433 WeakPolarHBondContact CA-O 3.23Å; K424-S433 PolarHBondContact N-O 2.95Å; K424-S433 PolarHBondContact O-N 2.99Å; S433-T442 CarbonylContact C-O 3.58Å; S433-T442 WeakPolarHBondContact CA-O 3.44Å; S433-T442 WeakPolarHBondContact CB-O 3.39Å
434	Q	97.7	Very high	92.5	Very high	79 Å²	79	55.1 Å²	55.1	37%	0.369	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.6	172.1	-66	-172.2	-61.2	0	0	109.7	R422 L431 T441 T442 Y444	R422-Q434 CarbonylContact O-C 3.57Å; R422-Q434 VanDerWaalsContact O-CA 3.32Å; R422-Q434 WeakPolarHBondContact O-CA 3.43Å; L431-Q434 HydrophobicContact CD1-CG 3.73Å; L431-Q434 HydrophobicContact CD2-CG 3.84Å; L431-Q434 HydrophobicContact CG-CG 4.18Å; Q434-T441 CarbonylContact O-C 3.59Å; Q434-T441 VanDerWaalsContact O-CA 3.27Å; Q434-T441 WeakPolarHBondContact O-CA 3.35Å; Q434-T442 PolarHBondContact N-O 2.78Å; Q434-T442 PolarHBondContact O-N 3.11Å; Q434-Y444 HydrophobicContact CB-CE2 4.39Å; Q434-Y444 HydrophobicContact CG-CE2 4.03Å; Q434-Y444 PolarHBondContact OE1-OH 3.41Å
435	T	97.7	Very high	92.5	Very high	32 Å²	32	51 Å²	51	20%	0.196	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.2	172.9	-51	0	0	0	0	108.5	T421 R422 G439 R440 T441	T421-T435 CarbonylContact C-O 3.59Å; T421-T435 WeakPolarHBondContact CA-O 3.29Å; R422-T435 PolarHBondContact N-O 2.96Å; R422-T435 PolarHBondContact O-N 3.06Å; T435-G439 VanDerWaalsContact CG2-C 3.43Å; T435-R440 CarbonylContact C-O 3.57Å; T435-R440 VanDerWaalsContact CA-O 3.24Å; T435-R440 WeakPolarHBondContact CA-O 3.37Å; T435-T441 PolarHBondContact OG1-OG1 3.4Å
436	D	95	Very high	92.4	Very high	42 Å²	42	49.3 Å²	49.3	23%	0.225	27%	0.271	C	S	.	.			trans	-76.6	179	176.6	72.2	13.3	0	0	0	112.4	A438 G439 R440	D436-A438 PolarHBondContact O-N 3.22Å; D436-A438 WeakPolarHBondContact OD1-CA 3.34Å; D436-A438 WeakPolarHBondContact OD1-CB 3.5Å; D436-A438 PolarHBondContact OD1-N 2.77Å; D436-G439 PolarHBondContact O-N 2.97Å; D436-G439 PolarHBondContact OD1-N 2.82Å; D436-G439 VanDerWaalsContact OD1-N 3.09Å; D436-R440 PolarHBondContact N-O 3.29Å; D436-R440 WeakPolarHBondContact OD1-CB 3.47Å; D436-R440 PolarHBondContact OD1-N 3.08Å; D436-R440 IonicContact OD1-NE 3.12Å; D436-R440 IonicContact OD2-CZ 2.99Å; D436-R440 IonicContact OD2-NE 3.81Å; D436-R440 PolarHBondContact OD2-NE 3.32Å; D436-R440 IonicContact OD2-NH2 3.18Å; D436-R440 PolarHBondContact OD2-NH2 2.95Å
437	A	95.2	Very high	92.4	Very high	23 Å²	23	51.4 Å²	51.4	19%	0.19	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.2	-179.5	0	0	0	0	0	114.8	I420 G439 L681	I420-A437 VanDerWaalsContact O-CA 3.26Å; I420-A437 WeakPolarHBondContact O-CA 3.2Å; A437-G439 VanDerWaalsContact C-N 3.31Å; A437-L681 HydrophobicContact CB-CB 4.04Å; A437-L681 VanDerWaalsContact CB-O 3.25Å; A437-L681 WeakPolarHBondContact CB-O 3.43Å
438	A	92	Very high	92.2	Very high	58 Å²	58	47.6 Å²	47.6	48%	0.479	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	0.9	172.2	0	0	0	0	0	112.6	D436 R440 T682	D436-A438 PolarHBondContact O-N 3.22Å; D436-A438 WeakPolarHBondContact OD1-CA 3.34Å; D436-A438 WeakPolarHBondContact OD1-CB 3.5Å; D436-A438 PolarHBondContact OD1-N 2.77Å; A438-R440 HydrophobicContact CB-CG 4.2Å; A438-T682 HydrophobicContact CB-CG2 3.58Å
439	G	92.2	Very high	92.1	Very high	53 Å²	53	51.6 Å²	51.6	55%	0.546	30%	0.301	S	S	.	.	S	Bend	trans	83.3	10.6	-179.6	0	0	0	0	0	114.1	T435 D436 A437	T435-G439 VanDerWaalsContact CG2-C 3.43Å; D436-G439 PolarHBondContact O-N 2.97Å; D436-G439 PolarHBondContact OD1-N 2.82Å; D436-G439 VanDerWaalsContact OD1-N 3.09Å; A437-G439 VanDerWaalsContact C-N 3.31Å
440	R	92.2	Very high	92	Very high	40 Å²	40	51.7 Å²	51.7	15%	0.151	30%	0.3	C	S	.	.			trans	-89.1	135.7	-177.8	-55.7	178.6	-60.3	172.3	0.3	109.8	T435 D436 A438 P459 A701 D703	T435-R440 CarbonylContact C-O 3.57Å; T435-R440 VanDerWaalsContact CA-O 3.24Å; T435-R440 WeakPolarHBondContact CA-O 3.37Å; D436-R440 PolarHBondContact N-O 3.29Å; D436-R440 WeakPolarHBondContact OD1-CB 3.47Å; D436-R440 PolarHBondContact OD1-N 3.08Å; D436-R440 IonicContact OD1-NE 3.12Å; D436-R440 IonicContact OD2-CZ 2.99Å; D436-R440 IonicContact OD2-NE 3.81Å; D436-R440 PolarHBondContact OD2-NE 3.32Å; D436-R440 IonicContact OD2-NH2 3.18Å; D436-R440 PolarHBondContact OD2-NH2 2.95Å; A438-R440 HydrophobicContact CB-CG 4.2Å; R440-P459 HydrophobicContact CB-CB 3.81Å; R440-P459 HydrophobicContact CB-CG 3.74Å; R440-A701 WeakPolarHBondContact CD-O 3.42Å; R440-A701 PolarHBondContact NH1-O 3.18Å; R440-D703 IonicContact CZ-OD1 2.83Å; R440-D703 VanDerWaalsContact CZ-OD1 3.22Å; R440-D703 IonicContact CZ-OD2 2.75Å; R440-D703 IonicContact NH1-OD1 2.63Å; R440-D703 PolarHBondContact NH1-OD1 3.34Å; R440-D703 IonicContact NH1-OD2 2.85Å; R440-D703 PolarHBondContact NH1-OD2 3.1Å; R440-D703 VanDerWaalsContact NH2-CG 3.27Å; R440-D703 IonicContact NH2-OD1 3.9Å; R440-D703 PolarHBondContact NH2-OD1 3.26Å; R440-D703 IonicContact NH2-OD2 3.33Å; R440-D703 PolarHBondContact NH2-OD2 2.8Å
441	T	95.8	Very high	91.8	Very high	48 Å²	48	50.8 Å²	50.8	29%	0.294	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.9	-171.1	-59.4	0	0	0	0	111.8	Q434 T435 E443 P459	Q434-T441 CarbonylContact O-C 3.59Å; Q434-T441 VanDerWaalsContact O-CA 3.27Å; Q434-T441 WeakPolarHBondContact O-CA 3.35Å; T435-T441 PolarHBondContact OG1-OG1 3.4Å; T441-E443 HydrophobicContact CG2-CG 4.27Å; T441-P459 WeakPolarHBondContact O-CA 3.44Å
442	T	95.7	Very high	91.8	Very high	32 Å²	32	50.5 Å²	50.5	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.2	167.7	-59	0	0	0	0	108.7	S433 Q434 Y444 I456 T457	S433-T442 CarbonylContact C-O 3.58Å; S433-T442 WeakPolarHBondContact CA-O 3.44Å; S433-T442 WeakPolarHBondContact CB-O 3.39Å; Q434-T442 PolarHBondContact N-O 2.78Å; Q434-T442 PolarHBondContact O-N 3.11Å; T442-Y444 HydrophobicContact CG2-CE1 4.42Å; T442-Y444 HydrophobicContact CG2-CE2 4.06Å; T442-I456 HydrophobicContact CG2-CG2 3.81Å; T442-T457 CarbonylContact C-O 3.54Å; T442-T457 WeakPolarHBondContact CA-O 3.17Å; T442-T457 WeakPolarHBondContact CG2-O 3.25Å
443	E	97.8	Very high	91.8	Very high	104 Å²	104	48.3 Å²	48.3	49%	0.486	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140	-179.5	-59.8	-177.5	164.3	0	0	111.2	Q432 T441 I456 T457	Q432-E443 WeakPolarHBondContact O-CA 3.23Å; T441-E443 HydrophobicContact CG2-CG 4.27Å; E443-I456 CarbonylContact O-C 3.47Å; E443-I456 WeakPolarHBondContact O-CA 3.39Å; E443-T457 PolarHBondContact N-O 3.17Å; E443-T457 PolarHBondContact O-N 2.97Å
444	Y	96.9	Very high	91.8	Very high	54 Å²	54	50 Å²	50	21%	0.212	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.5	178	-56.6	-90.3	0	0	0	108	L431 Q432 Q434 T442 P446 I456	L431-Y444 HydrophobicContact CD2-CD2 3.81Å; L431-Y444 HydrophobicContact CD2-CE2 3.71Å; L431-Y444 HydrophobicContact CD2-CG 4.42Å; L431-Y444 HydrophobicContact CG-CD2 3.91Å; L431-Y444 HydrophobicContact CG-CE2 4.23Å; Q432-Y444 PolarHBondContact O-N 2.9Å; Q434-Y444 HydrophobicContact CB-CE2 4.39Å; Q434-Y444 HydrophobicContact CG-CE2 4.03Å; Q434-Y444 PolarHBondContact OE1-OH 3.41Å; T442-Y444 HydrophobicContact CG2-CE1 4.42Å; T442-Y444 HydrophobicContact CG2-CE2 4.06Å; Y444-P446 WeakPolarHBondContact O-CD 3.36Å; Y444-I456 HydrophobicContact CD1-CD1 4.31Å; Y444-I456 HydrophobicContact CD1-CG1 3.95Å; Y444-I456 HydrophobicContact CD1-CG2 4.46Å; Y444-I456 HydrophobicContact CE1-CD1 4.25Å; Y444-I456 HydrophobicContact CE1-CG1 4.27Å; Y444-I456 HydrophobicContact CE1-CG2 4.25Å
445	S	95.2	Very high	91.8	Very high	51 Å²	51	46.9 Å²	46.9	36%	0.357	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	94.9	176.8	-62	0	0	0	0	109.8	T454 C455	S445-T454 PolarHBondContact O-N 3.09Å; S445-T454 PolarHBondContact O-OG1 2.76Å; S445-C455 PolarHBondContact N-O 3.49Å; S445-C455 PolarHBondContact O-N 2.82Å
446	P	89.8	Confident	91.8	Very high	24 Å²	24	47.5 Å²	47.5	16%	0.156	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	142.1	173.7	31	-34.5	0	0	0	111.5	Y444 V448 L452	Y444-P446 WeakPolarHBondContact O-CD 3.36Å; P446-V448 PolarHBondContact O-N 3.32Å; P446-L452 CarbonylContact C-O 3.59Å; P446-L452 WeakPolarHBondContact CA-O 3.49Å
447	N	88.1	Confident	91.8	Very high	58 Å²	58	46.4 Å²	46.4	31%	0.31	28%	0.284	S	S	.	.			trans	-59.3	130.4	168.4	-177.7	-80.3	0	0	0	109.8	R430 V449 T450 G451 L452 T454	R430-N447 PolarHBondContact NH1-O 3.5Å; N447-V449 PolarHBondContact O-N 3.03Å; N447-V449 VanDerWaalsContact O-N 3.16Å; N447-V449 WeakPolarHBondContact OD1-CA 3.46Å; N447-V449 WeakPolarHBondContact OD1-CB 3.32Å; N447-V449 PolarHBondContact OD1-N 3.05Å; N447-T450 WeakPolarHBondContact CB-OG1 3.22Å; N447-T450 PolarHBondContact OD1-N 2.82Å; N447-G451 WeakPolarHBondContact O-CA 3.27Å; N447-G451 PolarHBondContact O-N 3.2Å; N447-L452 PolarHBondContact N-O 2.78Å; N447-T454 HydrophobicContact CB-CG2 3.85Å
448	V	80.2	Confident	91.7	Very high	96 Å²	96	47.3 Å²	47.3	58%	0.582	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.9	-175.7	-179.4	0	0	0	0	112.5	P446	P446-V448 PolarHBondContact O-N 3.32Å
449	V	78.9	Confident	91.6	Very high	94 Å²	94	47 Å²	47	57%	0.57	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-49.6	-176.8	-179.1	0	0	0	0	111.8	N447	N447-V449 PolarHBondContact O-N 3.03Å; N447-V449 VanDerWaalsContact O-N 3.16Å; N447-V449 WeakPolarHBondContact OD1-CA 3.46Å; N447-V449 WeakPolarHBondContact OD1-CB 3.32Å; N447-V449 PolarHBondContact OD1-N 3.05Å
450	T	81.6	Confident	91.5	Very high	13 Å²	13	47.1 Å²	47.1	8%	0.08	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-21	-170.8	69.1	0	0	0	0	114.4	R154 N447 L452	R154-T450 VanDerWaalsContact CZ-CG2 3.41Å; R154-T450 VanDerWaalsContact NH2-CG2 3.27Å; N447-T450 WeakPolarHBondContact CB-OG1 3.22Å; N447-T450 PolarHBondContact OD1-N 2.82Å; T450-L452 PolarHBondContact O-N 3.46Å; T450-L452 WeakPolarHBondContact OG1-CB 3.3Å; T450-L452 WeakPolarHBondContact OG1-CG 3.12Å; T450-L452 PolarHBondContact OG1-N 3.24Å
451	G	83.8	Confident	91.3	Very high	12 Å²	12	47.4 Å²	47.4	12%	0.124	28%	0.284	C	S	.	.			trans	76.1	-6.5	-171	0	0	0	0	0	115.4	R430 N447	R430-G451 VanDerWaalsContact NH1-CA 3.31Å; N447-G451 WeakPolarHBondContact O-CA 3.27Å; N447-G451 PolarHBondContact O-N 3.2Å
452	L	90.4	Very high	91.1	Very high	44 Å²	44	48 Å²	48	23%	0.23	28%	0.281	C	S	.	.			trans	-70.4	138.3	177.4	-58.3	173.1	0	0	0	110.6	P446 N447 T450 T454 Y468 N472	P446-L452 CarbonylContact C-O 3.59Å; P446-L452 WeakPolarHBondContact CA-O 3.49Å; N447-L452 PolarHBondContact N-O 2.78Å; T450-L452 PolarHBondContact O-N 3.46Å; T450-L452 WeakPolarHBondContact OG1-CB 3.3Å; T450-L452 WeakPolarHBondContact OG1-CG 3.12Å; T450-L452 PolarHBondContact OG1-N 3.24Å; L452-T454 PolarHBondContact O-N 2.83Å; L452-Y468 HydrophobicContact CB-CD2 4.11Å; L452-Y468 HydrophobicContact CB-CE2 3.82Å; L452-Y468 HydrophobicContact CD1-CD1 3.69Å; L452-Y468 HydrophobicContact CD1-CD2 3.93Å; L452-Y468 HydrophobicContact CD1-CE1 4.06Å; L452-Y468 HydrophobicContact CD1-CE2 4.27Å; L452-Y468 HydrophobicContact CD1-CG 3.62Å; L452-N472 HydrophobicContact CD1-CB 3.67Å
453	V	94.3	Very high	91	Very high	45 Å²	45	52 Å²	52	27%	0.273	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	119.7	175.8	177.5	0	0	0	0	109.5	I456 Y468	V453-I456 HydrophobicContact CG1-CD1 4.26Å; V453-I456 HydrophobicContact CG1-CG1 3.64Å; V453-Y468 WeakPolarHBondContact O-CE2 3.25Å; V453-Y468 PolarHBondContact O-OH 2.62Å
454	T	96.8	Very high	90.9	Very high	47 Å²	47	48.5 Å²	48.5	29%	0.288	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-21	177.8	58.3	0	0	0	0	112.9	S445 N447 L452 E465 F466	S445-T454 PolarHBondContact O-N 3.09Å; S445-T454 PolarHBondContact O-OG1 2.76Å; N447-T454 HydrophobicContact CB-CG2 3.85Å; L452-T454 PolarHBondContact O-N 2.83Å; T454-E465 WeakPolarHBondContact O-CA 3.43Å; T454-F466 PolarHBondContact O-N 2.94Å
455	C	98	Very high	90.9	Very high	14 Å²	14	49.5 Å²	49.5	10%	0.095	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	138	176.9	-169.7	0	0	0	0	110.8	S445 S464	S445-C455 PolarHBondContact N-O 3.49Å; S445-C455 PolarHBondContact O-N 2.82Å; C455-S464 CarbonylContact C-O 3.59Å; C455-S464 VanDerWaalsContact CA-O 3.27Å; C455-S464 WeakPolarHBondContact CA-O 3.49Å
456	I	97.5	Very high	91.1	Very high	45 Å²	45	49.5 Å²	49.5	23%	0.231	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.9	167.8	-59.8	174.2	0	0	0	107.7	T442 E443 Y444 V453 K463 S464 F466	T442-I456 HydrophobicContact CG2-CG2 3.81Å; E443-I456 CarbonylContact O-C 3.47Å; E443-I456 WeakPolarHBondContact O-CA 3.39Å; Y444-I456 HydrophobicContact CD1-CD1 4.31Å; Y444-I456 HydrophobicContact CD1-CG1 3.95Å; Y444-I456 HydrophobicContact CD1-CG2 4.46Å; Y444-I456 HydrophobicContact CE1-CD1 4.25Å; Y444-I456 HydrophobicContact CE1-CG1 4.27Å; Y444-I456 HydrophobicContact CE1-CG2 4.25Å; V453-I456 HydrophobicContact CG1-CD1 4.26Å; V453-I456 HydrophobicContact CG1-CG1 3.64Å; I456-K463 CarbonylContact O-C 3.5Å; I456-K463 WeakPolarHBondContact O-CA 3.48Å; I456-S464 PolarHBondContact N-O 2.84Å; I456-S464 PolarHBondContact O-N 2.75Å; I456-F466 HydrophobicContact CD1-CE2 3.78Å; I456-F466 HydrophobicContact CD1-CZ 4.22Å; I456-F466 HydrophobicContact CG1-CE2 3.95Å
457	T	96.2	Very high	91.4	Very high	20 Å²	20	53.6 Å²	53.6	12%	0.123	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.1	176.3	-50.1	0	0	0	0	109.2	T442 E443 R462 K463	T442-T457 CarbonylContact C-O 3.54Å; T442-T457 WeakPolarHBondContact CA-O 3.17Å; T442-T457 WeakPolarHBondContact CG2-O 3.25Å; E443-T457 PolarHBondContact N-O 3.17Å; E443-T457 PolarHBondContact O-N 2.97Å; T457-R462 CarbonylContact C-O 3.56Å; T457-R462 WeakPolarHBondContact CA-O 3.48Å; T457-K463 HydrophobicContact CG2-CG 4.19Å
458	T	91.9	Very high	91.8	Very high	41 Å²	41	54.4 Å²	54.4	25%	0.252	30%	0.295	S	S	.	.			trans	-76.8	164.3	175.4	45.5	0	0	0	0	111.4	D460 G461 R462	T458-D460 WeakPolarHBondContact CB-OD1 3.16Å; T458-D460 PolarHBondContact O-N 3.21Å; T458-D460 VanDerWaalsContact O-N 3.08Å; T458-D460 PolarHBondContact OG1-OD1 3.37Å; T458-G461 PolarHBondContact O-N 2.89Å; T458-R462 PolarHBondContact N-O 2.93Å; T458-R462 WeakPolarHBondContact OG1-CB 3.35Å; T458-R462 PolarHBondContact OG1-O 3.05Å; T458-R462 VanDerWaalsContact OG1-O 3.06Å
459	P	91.3	Very high	92.4	Very high	52 Å²	52	51.5 Å²	51.5	34%	0.338	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.8	-176.4	-26.5	34.3	0	0	0	115.7	R440 T441 G461	R440-P459 HydrophobicContact CB-CB 3.81Å; R440-P459 HydrophobicContact CB-CG 3.74Å; T441-P459 WeakPolarHBondContact O-CA 3.44Å; P459-G461 VanDerWaalsContact C-N 3.27Å
460	D	88.3	Confident	92.8	Very high	55 Å²	55	52.3 Å²	52.3	29%	0.294	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	3.6	174.7	61.7	-0.7	0	0	0	113.7	T458 R462 S702	T458-D460 WeakPolarHBondContact CB-OD1 3.16Å; T458-D460 PolarHBondContact O-N 3.21Å; T458-D460 VanDerWaalsContact O-N 3.08Å; T458-D460 PolarHBondContact OG1-OD1 3.37Å; D460-R462 PolarHBondContact OD1-N 3.15Å; D460-R462 IonicContact OD1-NE 3.25Å; D460-R462 IonicContact OD1-NH2 3.75Å; D460-R462 IonicContact OD2-CZ 3.81Å; D460-R462 VanDerWaalsContact OD2-CZ 3.22Å; D460-R462 IonicContact OD2-NE 2.7Å; D460-R462 PolarHBondContact OD2-NE 3.39Å; D460-R462 IonicContact OD2-NH2 3.28Å; D460-R462 PolarHBondContact OD2-NH2 2.63Å; D460-S702 VanDerWaalsContact CB-OG 3.27Å; D460-S702 WeakPolarHBondContact CB-OG 3.36Å; D460-S702 WeakPolarHBondContact OD2-CB 3.2Å; D460-S702 PolarHBondContact OD2-OG 2.52Å
461	G	89.8	Confident	93.1	Very high	46 Å²	46	54.3 Å²	54.3	47%	0.474	29%	0.286	S	S	.	.	S	Bend	trans	85.1	-2.3	178.2	0	0	0	0	0	115.3	T458 P459	T458-G461 PolarHBondContact O-N 2.89Å; P459-G461 VanDerWaalsContact C-N 3.27Å
462	R	89.9	Confident	93.5	Very high	62 Å²	62	55.2 Å²	55.2	23%	0.234	29%	0.288	C	S	.	.			trans	-69.5	148	175.6	-68.3	-175.7	-63.1	123.6	10.3	111	T457 T458 D460 P480	T457-R462 CarbonylContact C-O 3.56Å; T457-R462 WeakPolarHBondContact CA-O 3.48Å; T458-R462 PolarHBondContact N-O 2.93Å; T458-R462 WeakPolarHBondContact OG1-CB 3.35Å; T458-R462 PolarHBondContact OG1-O 3.05Å; T458-R462 VanDerWaalsContact OG1-O 3.06Å; D460-R462 PolarHBondContact OD1-N 3.15Å; D460-R462 IonicContact OD1-NE 3.25Å; D460-R462 IonicContact OD1-NH2 3.75Å; D460-R462 IonicContact OD2-CZ 3.81Å; D460-R462 VanDerWaalsContact OD2-CZ 3.22Å; D460-R462 IonicContact OD2-NE 2.7Å; D460-R462 PolarHBondContact OD2-NE 3.39Å; D460-R462 IonicContact OD2-NH2 3.28Å; D460-R462 PolarHBondContact OD2-NH2 2.63Å; R462-P480 HydrophobicContact CB-CB 3.73Å; R462-P480 HydrophobicContact CG-CB 4.36Å
463	K	94.1	Very high	93.7	Very high	114 Å²	114	54.1 Å²	54.1	50%	0.496	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	140.6	-171.6	-64.9	-178	-178.9	-179.4	0	111.7	I456 T457 P480	I456-K463 CarbonylContact O-C 3.5Å; I456-K463 WeakPolarHBondContact O-CA 3.48Å; T457-K463 HydrophobicContact CG2-CG 4.19Å; K463-P480 WeakPolarHBondContact O-CA 3.24Å
464	S	95.2	Very high	93.8	Very high	31 Å²	31	53.8 Å²	53.8	22%	0.217	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.7	163.5	-56.9	0	0	0	0	108.7	C455 I456 T478	C455-S464 CarbonylContact C-O 3.59Å; C455-S464 VanDerWaalsContact CA-O 3.27Å; C455-S464 WeakPolarHBondContact CA-O 3.49Å; I456-S464 PolarHBondContact N-O 2.84Å; I456-S464 PolarHBondContact O-N 2.75Å; S464-T478 CarbonylContact C-O 3.6Å; S464-T478 VanDerWaalsContact CA-O 3.29Å; S464-T478 WeakPolarHBondContact CA-O 3.41Å
465	E	98.2	Very high	93.9	Very high	76 Å²	76	53.5 Å²	53.5	36%	0.355	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141.2	-176	-62.8	-172.7	143.3	0	0	111.2	T454 Y467 A477 T478	T454-E465 WeakPolarHBondContact O-CA 3.43Å; E465-Y467 HydrophobicContact CB-CE2 3.84Å; E465-Y467 PolarHBondContact OE2-OH 2.65Å; E465-A477 CarbonylContact O-C 3.5Å; E465-A477 VanDerWaalsContact O-CA 3.31Å; E465-A477 WeakPolarHBondContact O-CA 3.27Å; E465-T478 PolarHBondContact N-O 3.47Å; E465-T478 PolarHBondContact O-N 2.69Å
466	F	98.2	Very high	93.9	Very high	50 Å²	50	53.3 Å²	53.3	22%	0.219	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.9	-177.8	-54.5	-84.8	0	0	0	110.3	T454 I456 Y468 L474 A477	T454-F466 PolarHBondContact O-N 2.94Å; I456-F466 HydrophobicContact CD1-CE2 3.78Å; I456-F466 HydrophobicContact CD1-CZ 4.22Å; I456-F466 HydrophobicContact CG1-CE2 3.95Å; F466-Y468 HydrophobicContact CB-CE2 3.72Å; F466-L474 HydrophobicContact CB-CD1 4.03Å; F466-L474 HydrophobicContact CD1-CD1 4.04Å; F466-A477 HydrophobicContact CD1-CB 3.77Å; F466-A477 HydrophobicContact CE1-CB 4.03Å
467	Y	97.4	Very high	94	Very high	111 Å²	111	51.8 Å²	51.8	44%	0.435	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.7	-178.5	-60.3	-89.2	0	0	0	109.7	E465 L474 T475 S476	E465-Y467 HydrophobicContact CB-CE2 3.84Å; E465-Y467 PolarHBondContact OE2-OH 2.65Å; Y467-L474 CarbonylContact O-C 3.53Å; Y467-L474 WeakPolarHBondContact O-CA 3.19Å; Y467-T475 PolarHBondContact O-N 2.81Å; Y467-T475 PolarHBondContact O-OG1 3.46Å; Y467-T475 VanDerWaalsContact O-OG1 3.11Å; Y467-S476 PolarHBondContact N-O 2.8Å; Y467-S476 PolarHBondContact O-N 3.44Å
468	Y	95.4	Very high	94	Very high	74 Å²	74	52.3 Å²	52.3	29%	0.29	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.3	-176.3	-55.4	-90.9	0	0	0	110.8	L452 V453 F466 Q473 L474	L452-Y468 HydrophobicContact CB-CD2 4.11Å; L452-Y468 HydrophobicContact CB-CE2 3.82Å; L452-Y468 HydrophobicContact CD1-CD1 3.69Å; L452-Y468 HydrophobicContact CD1-CD2 3.93Å; L452-Y468 HydrophobicContact CD1-CE1 4.06Å; L452-Y468 HydrophobicContact CD1-CE2 4.27Å; L452-Y468 HydrophobicContact CD1-CG 3.62Å; V453-Y468 WeakPolarHBondContact O-CE2 3.25Å; V453-Y468 PolarHBondContact O-OH 2.62Å; F466-Y468 HydrophobicContact CB-CE2 3.72Å; Y468-Q473 CarbonylContact C-O 3.54Å; Y468-Q473 WeakPolarHBondContact CA-O 3.34Å; Y468-L474 HydrophobicContact CD1-CB 4.27Å; Y468-L474 HydrophobicContact CD1-CD1 4.36Å; Y468-L474 HydrophobicContact CE1-CB 4.14Å; Y468-L474 HydrophobicContact CE1-CD1 3.89Å
469	N	92.9	Very high	94	Very high	35 Å²	35	50.8 Å²	50.8	19%	0.187	27%	0.265	C	S	.	.			trans	-77.7	179.3	169.9	69.4	10	0	0	0	112	Q471 N472 Q473 T475	N469-Q471 PolarHBondContact O-N 2.93Å; N469-Q471 WeakPolarHBondContact OD1-CA 3.25Å; N469-Q471 PolarHBondContact OD1-N 2.84Å; N469-Q471 VanDerWaalsContact OD1-N 3.1Å; N469-N472 PolarHBondContact O-N 2.86Å; N469-N472 PolarHBondContact OD1-N 2.94Å; N469-N472 VanDerWaalsContact OD1-N 3.16Å; N469-Q473 PolarHBondContact N-O 2.99Å; N469-Q473 PolarHBondContact ND2-OE1 3.36Å; N469-Q473 WeakPolarHBondContact OD1-CB 3.49Å; N469-Q473 PolarHBondContact OD1-N 3.1Å; N469-T475 HydrophobicContact CB-CG2 3.79Å
470	N	86.8	Confident	94	Very high	112 Å²	112	50.5 Å²	50.5	60%	0.599	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.3	-179.7	-75	-19.8	0	0	0	113.6	R154 N472	R154-N470 PolarHBondContact NH1-O 3.06Å; N470-N472 VanDerWaalsContact C-N 3.33Å
471	Q	89.3	Confident	94	Very high	54 Å²	54	49 Å²	49	25%	0.252	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-2.1	175	-61.5	80.7	-8.1	0	0	112.3	P179 Q180 N469 Q473	P179-Q471 HydrophobicContact CB-CB 4.32Å; P179-Q471 WeakPolarHBondContact CB-O 3.45Å; P179-Q471 WeakPolarHBondContact CD-O 3.3Å; P179-Q471 WeakPolarHBondContact CG-O 3.38Å; Q180-Q471 VanDerWaalsContact NE2-C 3.29Å; Q180-Q471 PolarHBondContact NE2-O 3.03Å; Q180-Q471 PolarHBondContact OE1-O 2.68Å; N469-Q471 PolarHBondContact O-N 2.93Å; N469-Q471 WeakPolarHBondContact OD1-CA 3.25Å; N469-Q471 PolarHBondContact OD1-N 2.84Å; N469-Q471 VanDerWaalsContact OD1-N 3.1Å; Q471-Q473 HydrophobicContact CB-CG 4.33Å
472	N	91.3	Very high	93.9	Very high	32 Å²	32	49.3 Å²	49.3	17%	0.171	26%	0.259	C	S	.	.	S	Bend	trans	77	21.3	-174.6	-62.7	-18	0	0	0	115.6	R154 L452 N469 N470	R154-N472 PolarHBondContact NH1-OD1 3.47Å; L452-N472 HydrophobicContact CD1-CB 3.67Å; N469-N472 PolarHBondContact O-N 2.86Å; N469-N472 PolarHBondContact OD1-N 2.94Å; N469-N472 VanDerWaalsContact OD1-N 3.16Å; N470-N472 VanDerWaalsContact C-N 3.33Å
473	Q	94.7	Very high	94.1	Very high	21 Å²	21	49.3 Å²	49.3	10%	0.098	26%	0.263	C	S	.	.			trans	-90.1	136.8	174.4	-47.8	178.2	-86.1	0	0	110.2	Y468 N469 Q471 T475 Y489 G493	Y468-Q473 CarbonylContact C-O 3.54Å; Y468-Q473 WeakPolarHBondContact CA-O 3.34Å; N469-Q473 PolarHBondContact N-O 2.99Å; N469-Q473 PolarHBondContact ND2-OE1 3.36Å; N469-Q473 WeakPolarHBondContact OD1-CB 3.49Å; N469-Q473 PolarHBondContact OD1-N 3.1Å; Q471-Q473 HydrophobicContact CB-CG 4.33Å; Q473-T475 PolarHBondContact O-N 2.83Å; Q473-Y489 HydrophobicContact CB-CD2 4Å; Q473-Y489 HydrophobicContact CB-CE1 4.25Å; Q473-Y489 HydrophobicContact CB-CE2 3.63Å; Q473-Y489 HydrophobicContact CB-CG 4.47Å; Q473-Y489 VanDerWaalsContact NE2-CD1 3.31Å; Q473-G493 PolarHBondContact NE2-O 2.87Å
474	L	97.3	Very high	94.2	Very high	38 Å²	38	46.7 Å²	46.7	20%	0.199	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	118	176.7	-177.3	73.6	0	0	0	110.1	F466 Y467 Y468 S476 A477 R487 Y489	F466-L474 HydrophobicContact CB-CD1 4.03Å; F466-L474 HydrophobicContact CD1-CD1 4.04Å; Y467-L474 CarbonylContact O-C 3.53Å; Y467-L474 WeakPolarHBondContact O-CA 3.19Å; Y468-L474 HydrophobicContact CD1-CB 4.27Å; Y468-L474 HydrophobicContact CD1-CD1 4.36Å; Y468-L474 HydrophobicContact CE1-CB 4.14Å; Y468-L474 HydrophobicContact CE1-CD1 3.89Å; L474-S476 WeakPolarHBondContact CD1-O 3.24Å; L474-A477 HydrophobicContact CD1-CB 4.41Å; L474-A477 HydrophobicContact CD2-CB 4.34Å; L474-R487 WeakPolarHBondContact O-CB 3.03Å; L474-Y489 WeakPolarHBondContact O-CE2 3.37Å; L474-Y489 PolarHBondContact O-OH 3.02Å
475	T	98.3	Very high	94.3	Very high	41 Å²	41	46.9 Å²	46.9	25%	0.252	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-29.1	178.2	53.6	0	0	0	0	112.8	Y467 N469 Q473 R486 R487	Y467-T475 PolarHBondContact O-N 2.81Å; Y467-T475 PolarHBondContact O-OG1 3.46Å; Y467-T475 VanDerWaalsContact O-OG1 3.11Å; N469-T475 HydrophobicContact CB-CG2 3.79Å; Q473-T475 PolarHBondContact O-N 2.83Å; T475-R486 CarbonylContact O-C 3.58Å; T475-R486 WeakPolarHBondContact O-CA 3.1Å; T475-R487 PolarHBondContact O-N 2.92Å
476	S	98.5	Very high	94.3	Very high	10 Å²	10	49.1 Å²	49.1	7%	0.07	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	145	175.6	176	0	0	0	0	111.1	Y467 L474 E484 M485	Y467-S476 PolarHBondContact N-O 2.8Å; Y467-S476 PolarHBondContact O-N 3.44Å; L474-S476 WeakPolarHBondContact CD1-O 3.24Å; S476-E484 WeakPolarHBondContact CB-OE1 3.35Å; S476-E484 WeakPolarHBondContact OG-CG 3.28Å; S476-E484 PolarHBondContact OG-OE1 2.79Å; S476-M485 VanDerWaalsContact CA-O 3.24Å; S476-M485 WeakPolarHBondContact CA-O 3.33Å; S476-M485 PolarHBondContact OG-O 3.2Å
477	A	98.3	Very high	94.4	Very high	13 Å²	13	50.5 Å²	50.5	11%	0.107	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	121.8	168	0	0	0	0	0	109.9	E465 F466 L474 E484 M485	E465-A477 CarbonylContact O-C 3.5Å; E465-A477 VanDerWaalsContact O-CA 3.31Å; E465-A477 WeakPolarHBondContact O-CA 3.27Å; F466-A477 HydrophobicContact CD1-CB 3.77Å; F466-A477 HydrophobicContact CE1-CB 4.03Å; L474-A477 HydrophobicContact CD1-CB 4.41Å; L474-A477 HydrophobicContact CD2-CB 4.34Å; A477-E484 WeakPolarHBondContact O-CA 3.35Å; A477-M485 HydrophobicContact CB-CG 3.96Å; A477-M485 HydrophobicContact CB-SD 4.36Å; A477-M485 PolarHBondContact N-O 3.04Å; A477-M485 PolarHBondContact O-N 2.81Å
478	T	97.6	Very high	94.4	Very high	30 Å²	30	51 Å²	51	18%	0.184	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.9	179.3	-53.3	0	0	0	0	109.1	S464 E465	S464-T478 CarbonylContact C-O 3.6Å; S464-T478 VanDerWaalsContact CA-O 3.29Å; S464-T478 WeakPolarHBondContact CA-O 3.41Å; E465-T478 PolarHBondContact N-O 3.47Å; E465-T478 PolarHBondContact O-N 2.69Å
479	G	92	Very high	94.5	Very high	10 Å²	10	50 Å²	50	10%	0.103	26%	0.26	C	S	.	.			trans	-74.3	169.6	175.3	0	0	0	0	0	112.6	D481 G482 L483	G479-D481 PolarHBondContact O-N 3.12Å; G479-G482 PolarHBondContact O-N 2.79Å; G479-L483 PolarHBondContact N-O 3Å
480	P	90	Very high	94.6	Very high	45 Å²	45	50.3 Å²	50.3	29%	0.292	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.6	175.5	30.1	-35.8	0	0	0	113.4	R462 K463 G482	R462-P480 HydrophobicContact CB-CB 3.73Å; R462-P480 HydrophobicContact CG-CB 4.36Å; K463-P480 WeakPolarHBondContact O-CA 3.24Å; P480-G482 VanDerWaalsContact C-N 3.27Å
481	D	88.5	Confident	94.7	Very high	23 Å²	23	52.2 Å²	52.2	12%	0.123	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	0.8	172.7	57	-0.1	0	0	0	113.5	G479 L483 H723 W725	G479-D481 PolarHBondContact O-N 3.12Å; D481-L483 PolarHBondContact O-N 3.32Å; D481-L483 PolarHBondContact OD1-N 2.87Å; D481-L483 VanDerWaalsContact OD1-N 3.14Å; D481-H723 HydrophobicContact CB-CB 4.1Å; D481-H723 PolarHBondContact O-CD2 2.93Å; D481-W725 HydrophobicContact CB-CZ2 3.68Å; D481-W725 PolarHBondContact OD2-NE1 3.49Å; D481-W725 VanDerWaalsContact OD2-NE1 3.09Å
482	G	88.4	Confident	94.7	Very high	53 Å²	53	53.9 Å²	53.9	55%	0.546	27%	0.271	S	S	.	.	S	Bend	trans	76.4	-2.3	-176.9	0	0	0	0	0	114.1	G479 P480	G479-G482 PolarHBondContact O-N 2.79Å; P480-G482 VanDerWaalsContact C-N 3.27Å
483	L	92.8	Very high	94.7	Very high	62 Å²	62	52.8 Å²	52.8	33%	0.325	27%	0.268	S	S	.	.			trans	-75.8	134.3	175.4	-62.6	-178.1	0	0	0	110.3	G479 D481 R501 W725	G479-L483 PolarHBondContact N-O 3Å; D481-L483 PolarHBondContact O-N 3.32Å; D481-L483 PolarHBondContact OD1-N 2.87Å; D481-L483 VanDerWaalsContact OD1-N 3.14Å; L483-R501 HydrophobicContact CB-CB 4.07Å; L483-R501 HydrophobicContact CB-CG 4.46Å; L483-W725 HydrophobicContact CD1-CH2 4.38Å; L483-W725 HydrophobicContact CD1-CZ2 3.7Å; L483-W725 HydrophobicContact CG-CZ2 3.94Å
484	E	96.9	Very high	94.8	Very high	59 Å²	59	52.7 Å²	52.7	28%	0.276	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.3	-172	-172.9	-171.8	162.8	0	0	110.4	S476 A477 R486	S476-E484 WeakPolarHBondContact CB-OE1 3.35Å; S476-E484 WeakPolarHBondContact OG-CG 3.28Å; S476-E484 PolarHBondContact OG-OE1 2.79Å; A477-E484 WeakPolarHBondContact O-CA 3.35Å; E484-R486 HydrophobicContact CG-CG 4.23Å; E484-R486 WeakPolarHBondContact OE1-CD 3.48Å; E484-R486 WeakPolarHBondContact OE1-CG 3.39Å; E484-R486 IonicContact OE1-CZ 3.61Å; E484-R486 IonicContact OE1-NE 2.69Å; E484-R486 IonicContact OE1-NH1 2.99Å; E484-R486 PolarHBondContact OE1-NH1 2.94Å; E484-R486 IonicContact OE2-CZ 3.68Å; E484-R486 IonicContact OE2-NH1 3.22Å; E484-R486 PolarHBondContact OE2-NH1 2.87Å
485	M	97.6	Very high	94.8	Very high	35 Å²	35	52.4 Å²	52.4	17%	0.172	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	146.9	161.6	79.4	179.8	-43.2	0	0	110.2	S476 A477 E498 T499 R501	S476-M485 VanDerWaalsContact CA-O 3.24Å; S476-M485 WeakPolarHBondContact CA-O 3.33Å; S476-M485 PolarHBondContact OG-O 3.2Å; A477-M485 HydrophobicContact CB-CG 3.96Å; A477-M485 HydrophobicContact CB-SD 4.36Å; A477-M485 PolarHBondContact N-O 3.04Å; A477-M485 PolarHBondContact O-N 2.81Å; M485-E498 HydrophobicContact CE-CG 4.43Å; M485-E498 WeakPolarHBondContact CE-OE1 3.32Å; M485-T499 CarbonylContact C-O 3.51Å; M485-T499 VanDerWaalsContact CA-O 3.25Å; M485-T499 WeakPolarHBondContact CA-O 3.24Å; M485-T499 WeakPolarHBondContact CB-O 3.3Å; M485-R501 HydrophobicContact CB-CG 4.1Å
486	R	98.7	Very high	94.8	Very high	124 Å²	124	52.5 Å²	52.5	47%	0.468	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.3	178.1	-73.4	-175.3	-90.4	-102.5	-2.8	112.2	T475 E484 E498 T499	T475-R486 CarbonylContact O-C 3.58Å; T475-R486 WeakPolarHBondContact O-CA 3.1Å; E484-R486 HydrophobicContact CG-CG 4.23Å; E484-R486 WeakPolarHBondContact OE1-CD 3.48Å; E484-R486 WeakPolarHBondContact OE1-CG 3.39Å; E484-R486 IonicContact OE1-CZ 3.61Å; E484-R486 IonicContact OE1-NE 2.69Å; E484-R486 IonicContact OE1-NH1 2.99Å; E484-R486 PolarHBondContact OE1-NH1 2.94Å; E484-R486 IonicContact OE2-CZ 3.68Å; E484-R486 IonicContact OE2-NH1 3.22Å; E484-R486 PolarHBondContact OE2-NH1 2.87Å; R486-E498 CarbonylContact O-C 3.59Å; R486-E498 WeakPolarHBondContact O-CA 3.49Å; R486-T499 PolarHBondContact N-O 2.82Å; R486-T499 PolarHBondContact O-N 3.01Å
487	R	98.7	Very high	94.8	Very high	79 Å²	79	53.2 Å²	53.2	30%	0.298	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.9	174.7	-71.7	-177	167.7	166.7	-0.8	111	L474 T475 Y489 L495 Q497 E498	L474-R487 WeakPolarHBondContact O-CB 3.03Å; T475-R487 PolarHBondContact O-N 2.92Å; R487-Y489 HydrophobicContact CB-CE2 3.87Å; R487-Y489 VanDerWaalsContact CD-OH 3.27Å; R487-Y489 WeakPolarHBondContact CD-OH 3.42Å; R487-L495 HydrophobicContact CB-CD1 3.75Å; R487-L495 HydrophobicContact CG-CD1 3.8Å; R487-Q497 CarbonylContact C-O 3.54Å; R487-Q497 WeakPolarHBondContact CA-O 3.36Å; R487-E498 HydrophobicContact CG-CB 4.47Å; R487-E498 HydrophobicContact CG-CG 4.17Å; R487-E498 IonicContact CZ-OE2 2.66Å; R487-E498 VanDerWaalsContact CZ-OE2 3.22Å; R487-E498 IonicContact NE-OE2 3.16Å; R487-E498 PolarHBondContact NE-OE2 3.33Å; R487-E498 IonicContact NH2-OE1 3.75Å; R487-E498 IonicContact NH2-OE2 2.72Å; R487-E498 PolarHBondContact NH2-OE2 2.7Å
488	K	98.5	Very high	94.8	Very high	122 Å²	122	54.4 Å²	54.4	53%	0.53	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144.7	171.6	-60.8	-176.6	179.2	177.7	0	109.7	T496 Q497	K488-T496 PolarHBondContact O-N 3.46Å; K488-T496 PolarHBondContact O-OG1 3.43Å; K488-Q497 HydrophobicContact CB-CB 4.09Å; K488-Q497 HydrophobicContact CD-CB 4.36Å; K488-Q497 HydrophobicContact CG-CB 4.38Å; K488-Q497 PolarHBondContact N-O 2.89Å; K488-Q497 PolarHBondContact O-N 3.2Å
489	Y	97.5	Very high	94.9	Very high	53 Å²	53	53.9 Å²	53.9	21%	0.208	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.9	179.9	-53.7	-91.9	0	0	0	110.1	Q473 L474 R487 R494 L495	Q473-Y489 HydrophobicContact CB-CD2 4Å; Q473-Y489 HydrophobicContact CB-CE1 4.25Å; Q473-Y489 HydrophobicContact CB-CE2 3.63Å; Q473-Y489 HydrophobicContact CB-CG 4.47Å; Q473-Y489 VanDerWaalsContact NE2-CD1 3.31Å; L474-Y489 WeakPolarHBondContact O-CE2 3.37Å; L474-Y489 PolarHBondContact O-OH 3.02Å; R487-Y489 HydrophobicContact CB-CE2 3.87Å; R487-Y489 VanDerWaalsContact CD-OH 3.27Å; R487-Y489 WeakPolarHBondContact CD-OH 3.42Å; Y489-R494 CarbonylContact C-O 3.48Å; Y489-R494 WeakPolarHBondContact CA-O 3.33Å; Y489-R494 WeakPolarHBondContact CB-O 3.48Å; Y489-L495 HydrophobicContact CD1-CB 4.21Å; Y489-L495 HydrophobicContact CD1-CD1 4.26Å; Y489-L495 HydrophobicContact CE1-CB 4.13Å; Y489-L495 HydrophobicContact CE1-CD1 3.81Å
490	D	94.6	Very high	95.1	Very high	40 Å²	40	55 Å²	55	21%	0.214	28%	0.276	C	S	.	.			trans	-79.8	-179.4	168.7	69.5	8	0	0	0	112.1	Y492 G493 R494 T496	D490-Y492 PolarHBondContact O-N 3.42Å; D490-Y492 VanDerWaalsContact OD1-C 3.31Å; D490-Y492 WeakPolarHBondContact OD1-CA 3.23Å; D490-Y492 PolarHBondContact OD1-N 3.25Å; D490-G493 PolarHBondContact O-N 2.94Å; D490-G493 PolarHBondContact OD1-N 2.9Å; D490-R494 PolarHBondContact N-O 2.7Å; D490-R494 WeakPolarHBondContact OD1-CB 3.34Å; D490-R494 PolarHBondContact OD1-N 2.84Å; D490-R494 IonicContact OD1-NE 2.91Å; D490-R494 IonicContact OD2-CZ 3.65Å; D490-R494 IonicContact OD2-NE 2.97Å; D490-R494 PolarHBondContact OD2-NE 2.93Å; D490-R494 IonicContact OD2-NH2 3.4Å; D490-R494 PolarHBondContact OD2-NH2 3.49Å; D490-T496 HydrophobicContact CB-CG2 3.78Å
491	E	88.8	Confident	95.4	Very high	152 Å²	152	59.5 Å²	59.5	71%	0.71	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.8	178.6	65.9	-175.7	171.5	0	0	113.7	G493	E491-G493 VanDerWaalsContact C-N 3.29Å
492	Y	89.3	Confident	95.6	Very high	89 Å²	89	62.9 Å²	62.9	35%	0.349	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	6.3	175.6	-53.5	-80	0	0	0	112.3	R215 D490 R494	R215-Y492 WeakPolarHBondContact CD-O 3.3Å; R215-Y492 PolarHBondContact NE-O 2.5Å; D490-Y492 PolarHBondContact O-N 3.42Å; D490-Y492 VanDerWaalsContact OD1-C 3.31Å; D490-Y492 WeakPolarHBondContact OD1-CA 3.23Å; D490-Y492 PolarHBondContact OD1-N 3.25Å; Y492-R494 VanDerWaalsContact C-N 3.3Å; Y492-R494 PolarHBondContact O-N 2.82Å
493	G	92.5	Very high	95.9	Very high	10 Å²	10	62.5 Å²	62.5	10%	0.103	30%	0.301	C	S	.	.	S	Bend	trans	69.6	22.2	179.8	0	0	0	0	0	114.1	R215 Q473 D490 E491	R215-G493 PolarHBondContact NH2-O 2.83Å; Q473-G493 PolarHBondContact NE2-O 2.87Å; D490-G493 PolarHBondContact O-N 2.94Å; D490-G493 PolarHBondContact OD1-N 2.9Å; E491-G493 VanDerWaalsContact C-N 3.29Å
494	R	95.9	Very high	96.1	Very high	18 Å²	18	63.5 Å²	63.5	7%	0.068	31%	0.307	C	S	.	.			trans	-88.6	142.2	173.8	-57.7	178	-64.6	-171.9	3.7	110	F216 Y489 D490 Y492 T496 Y510 N512 S515	F216-R494 HydrophobicContact CE1-CG 4.07Å; F216-R494 HydrophobicContact CZ-CG 3.86Å; Y489-R494 CarbonylContact C-O 3.48Å; Y489-R494 WeakPolarHBondContact CA-O 3.33Å; Y489-R494 WeakPolarHBondContact CB-O 3.48Å; D490-R494 PolarHBondContact N-O 2.7Å; D490-R494 WeakPolarHBondContact OD1-CB 3.34Å; D490-R494 PolarHBondContact OD1-N 2.84Å; D490-R494 IonicContact OD1-NE 2.91Å; D490-R494 IonicContact OD2-CZ 3.65Å; D490-R494 IonicContact OD2-NE 2.97Å; D490-R494 PolarHBondContact OD2-NE 2.93Å; D490-R494 IonicContact OD2-NH2 3.4Å; D490-R494 PolarHBondContact OD2-NH2 3.49Å; Y492-R494 VanDerWaalsContact C-N 3.3Å; Y492-R494 PolarHBondContact O-N 2.82Å; R494-T496 PolarHBondContact O-N 2.72Å; R494-Y510 HydrophobicContact CB-CD2 4.26Å; R494-Y510 HydrophobicContact CB-CE1 4.1Å; R494-Y510 HydrophobicContact CB-CE2 3.71Å; R494-Y510 HydrophobicContact CG-CE1 4.43Å; R494-N512 PolarHBondContact NH1-O 2.83Å; R494-S515 WeakPolarHBondContact CD-O 3.1Å; R494-S515 PolarHBondContact NH1-O 3.19Å
495	L	97.9	Very high	96.2	Very high	32 Å²	32	62.4 Å²	62.4	17%	0.168	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	118.1	-178.2	-179.6	68.2	0	0	0	109.2	R487 Y489 Q497 E498 Y508 Y510	R487-L495 HydrophobicContact CB-CD1 3.75Å; R487-L495 HydrophobicContact CG-CD1 3.8Å; Y489-L495 HydrophobicContact CD1-CB 4.21Å; Y489-L495 HydrophobicContact CD1-CD1 4.26Å; Y489-L495 HydrophobicContact CE1-CB 4.13Å; Y489-L495 HydrophobicContact CE1-CD1 3.81Å; L495-Q497 WeakPolarHBondContact CD1-O 3.12Å; L495-E498 HydrophobicContact CD2-CB 4.49Å; L495-Y508 HydrophobicContact CD2-CD2 4.05Å; L495-Y508 HydrophobicContact CD2-CE2 3.49Å; L495-Y508 VanDerWaalsContact CD2-CE2 3.49Å; L495-Y508 HydrophobicContact CG-CD2 3.92Å; L495-Y508 HydrophobicContact CG-CE2 3.83Å; L495-Y508 WeakPolarHBondContact O-CB 3.5Å; L495-Y510 PolarHBondContact N-OH 3.29Å; L495-Y510 VanDerWaalsContact O-CE2 3.29Å; L495-Y510 WeakPolarHBondContact O-CE2 3.46Å; L495-Y510 PolarHBondContact O-OH 2.99Å
496	T	98.2	Very high	96.2	Very high	44 Å²	44	62.8 Å²	62.8	27%	0.27	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-25	179.4	52.3	0	0	0	0	112.9	K488 D490 R494 R507 Y508	K488-T496 PolarHBondContact O-N 3.46Å; K488-T496 PolarHBondContact O-OG1 3.43Å; D490-T496 HydrophobicContact CB-CG2 3.78Å; R494-T496 PolarHBondContact O-N 2.72Å; T496-R507 WeakPolarHBondContact O-CA 3.15Å; T496-Y508 PolarHBondContact O-N 3.1Å
497	Q	98.7	Very high	96.2	Very high	25 Å²	25	62.6 Å²	62.6	12%	0.117	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	137.2	178.6	-169.8	-174	-48.7	0	0	110.5	R487 K488 L495 T499 V505 T506	R487-Q497 CarbonylContact C-O 3.54Å; R487-Q497 WeakPolarHBondContact CA-O 3.36Å; K488-Q497 HydrophobicContact CB-CB 4.09Å; K488-Q497 HydrophobicContact CD-CB 4.36Å; K488-Q497 HydrophobicContact CG-CB 4.38Å; K488-Q497 PolarHBondContact N-O 2.89Å; K488-Q497 PolarHBondContact O-N 3.2Å; L495-Q497 WeakPolarHBondContact CD1-O 3.12Å; Q497-T499 PolarHBondContact NE2-OG1 2.86Å; Q497-V505 HydrophobicContact CG-CG1 3.46Å; Q497-V505 VanDerWaalsContact CG-CG1 3.46Å; Q497-T506 CarbonylContact C-O 3.59Å; Q497-T506 WeakPolarHBondContact CA-O 3.13Å
498	E	98.5	Very high	96.2	Very high	38 Å²	38	61.8 Å²	61.8	18%	0.178	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.1	165.1	-175.6	163.2	141.1	0	0	109.3	M485 R486 R487 L495 V505 T506 Y508	M485-E498 HydrophobicContact CE-CG 4.43Å; M485-E498 WeakPolarHBondContact CE-OE1 3.32Å; R486-E498 CarbonylContact O-C 3.59Å; R486-E498 WeakPolarHBondContact O-CA 3.49Å; R487-E498 HydrophobicContact CG-CB 4.47Å; R487-E498 HydrophobicContact CG-CG 4.17Å; R487-E498 IonicContact CZ-OE2 2.66Å; R487-E498 VanDerWaalsContact CZ-OE2 3.22Å; R487-E498 IonicContact NE-OE2 3.16Å; R487-E498 PolarHBondContact NE-OE2 3.33Å; R487-E498 IonicContact NH2-OE1 3.75Å; R487-E498 IonicContact NH2-OE2 2.72Å; R487-E498 PolarHBondContact NH2-OE2 2.7Å; L495-E498 HydrophobicContact CD2-CB 4.49Å; E498-V505 CarbonylContact O-C 3.55Å; E498-V505 WeakPolarHBondContact O-CA 3.42Å; E498-T506 PolarHBondContact N-O 2.93Å; E498-T506 PolarHBondContact O-N 3.09Å; E498-Y508 HydrophobicContact CB-CE2 4.27Å
499	T	98.6	Very high	96.2	Very high	18 Å²	18	57.7 Å²	57.7	11%	0.11	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	113.7	171.5	-61.1	0	0	0	0	107.3	M485 R486 Q497 D504 V505	M485-T499 CarbonylContact C-O 3.51Å; M485-T499 VanDerWaalsContact CA-O 3.25Å; M485-T499 WeakPolarHBondContact CA-O 3.24Å; M485-T499 WeakPolarHBondContact CB-O 3.3Å; R486-T499 PolarHBondContact N-O 2.82Å; R486-T499 PolarHBondContact O-N 3.01Å; Q497-T499 PolarHBondContact NE2-OG1 2.86Å; T499-D504 CarbonylContact C-O 3.49Å; T499-D504 VanDerWaalsContact CA-O 3.32Å; T499-D504 WeakPolarHBondContact CA-O 3.44Å; T499-V505 HydrophobicContact CG2-CG2 4.29Å
500	A	97.1	Very high	96.2	Very high	34 Å²	34	57.1 Å²	57.1	28%	0.281	29%	0.29	S	S	.	.			trans	-69.3	167.1	177.8	0	0	0	0	0	111.2	N502 G503 D504	A500-N502 VanDerWaalsContact CB-OD1 3.29Å; A500-N502 WeakPolarHBondContact CB-OD1 3.25Å; A500-N502 PolarHBondContact O-N 2.96Å; A500-G503 PolarHBondContact O-N 3.27Å; A500-D504 HydrophobicContact CB-CB 4.37Å; A500-D504 PolarHBondContact N-O 3.44Å
501	R	94.7	Very high	96.2	Very high	139 Å²	139	61.3 Å²	61.3	53%	0.525	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.8	-178	-64.9	-170.1	-150.4	173.3	6.5	114	L483 M485 G503	L483-R501 HydrophobicContact CB-CB 4.07Å; L483-R501 HydrophobicContact CB-CG 4.46Å; M485-R501 HydrophobicContact CB-CG 4.1Å; R501-G503 VanDerWaalsContact C-N 3.32Å
502	N	93.4	Very high	96.3	Very high	95 Å²	95	58.1 Å²	58.1	51%	0.508	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-1.1	175.3	66.7	-12.9	0	0	0	113.2	A500 D504	A500-N502 VanDerWaalsContact CB-OD1 3.29Å; A500-N502 WeakPolarHBondContact CB-OD1 3.25Å; A500-N502 PolarHBondContact O-N 2.96Å; N502-D504 PolarHBondContact ND2-OD2 2.98Å; N502-D504 WeakPolarHBondContact OD1-CB 3.49Å; N502-D504 PolarHBondContact OD1-N 3.24Å; N502-D504 VanDerWaalsContact OD1-N 3.09Å; N502-D504 PolarHBondContact OD1-OD2 2.94Å
503	G	94.4	Very high	96.3	Very high	44 Å²	44	56.9 Å²	56.9	45%	0.454	30%	0.303	S	S	.	.	S	Bend	trans	94.6	-8.7	-178.7	0	0	0	0	0	115	A500 R501 V505	A500-G503 PolarHBondContact O-N 3.27Å; R501-G503 VanDerWaalsContact C-N 3.32Å; G503-V505 WeakPolarHBondContact O-CG2 3.23Å; G503-V505 PolarHBondContact O-N 2.79Å
504	D	98	Very high	96.1	Very high	83 Å²	83	61.8 Å²	61.8	44%	0.444	32%	0.323	S	S	.	.			trans	-62.5	134.6	179.1	-70.7	-19	0	0	0	110.7	T499 A500 N502 A524	T499-D504 CarbonylContact C-O 3.49Å; T499-D504 VanDerWaalsContact CA-O 3.32Å; T499-D504 WeakPolarHBondContact CA-O 3.44Å; A500-D504 HydrophobicContact CB-CB 4.37Å; A500-D504 PolarHBondContact N-O 3.44Å; N502-D504 PolarHBondContact ND2-OD2 2.98Å; N502-D504 WeakPolarHBondContact OD1-CB 3.49Å; N502-D504 PolarHBondContact OD1-N 3.24Å; N502-D504 VanDerWaalsContact OD1-N 3.09Å; N502-D504 PolarHBondContact OD1-OD2 2.94Å; D504-A524 HydrophobicContact CB-CB 3.84Å
505	V	98.4	Very high	95.9	Very high	36 Å²	36	61.5 Å²	61.5	22%	0.218	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.9	-176.9	-175.5	0	0	0	0	110.1	Q497 E498 T499 G503 R507 D523 A524	Q497-V505 HydrophobicContact CG-CG1 3.46Å; Q497-V505 VanDerWaalsContact CG-CG1 3.46Å; E498-V505 CarbonylContact O-C 3.55Å; E498-V505 WeakPolarHBondContact O-CA 3.42Å; T499-V505 HydrophobicContact CG2-CG2 4.29Å; G503-V505 WeakPolarHBondContact O-CG2 3.23Å; G503-V505 PolarHBondContact O-N 2.79Å; V505-R507 HydrophobicContact CG1-CG 4.27Å; V505-D523 CarbonylContact O-C 3.57Å; V505-D523 VanDerWaalsContact O-C 3.3Å; V505-A524 WeakPolarHBondContact O-CA 3.48Å; V505-A524 PolarHBondContact O-N 2.96Å
506	T	98.5	Very high	95.7	Very high	43 Å²	43	63.6 Å²	63.6	26%	0.264	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.2	167.1	-55.5	0	0	0	0	109.6	Q497 E498 Y508 E522	Q497-T506 CarbonylContact C-O 3.59Å; Q497-T506 WeakPolarHBondContact CA-O 3.13Å; E498-T506 PolarHBondContact N-O 2.93Å; E498-T506 PolarHBondContact O-N 3.09Å; T506-Y508 HydrophobicContact CG2-CE1 4.41Å; T506-Y508 HydrophobicContact CG2-CE2 4.01Å; T506-E522 CarbonylContact C-O 3.54Å; T506-E522 VanDerWaalsContact CA-O 3.22Å; T506-E522 WeakPolarHBondContact CA-O 3.46Å; T506-E522 WeakPolarHBondContact CG2-O 3.18Å
507	R	98.6	Very high	95.6	Very high	121 Å²	121	63.7 Å²	63.7	46%	0.457	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	149.2	177.5	-57.8	-177.7	-178.2	-70.1	-5.6	110.5	T496 V505 T521 E522	T496-R507 WeakPolarHBondContact O-CA 3.15Å; V505-R507 HydrophobicContact CG1-CG 4.27Å; R507-T521 CarbonylContact O-C 3.54Å; R507-T521 VanDerWaalsContact O-CA 3.32Å; R507-T521 WeakPolarHBondContact O-CA 3.27Å; R507-E522 HydrophobicContact CB-CB 4.37Å; R507-E522 PolarHBondContact N-O 2.87Å; R507-E522 PolarHBondContact O-N 3.02Å
508	Y	98.5	Very high	95.5	Very high	61 Å²	61	63.8 Å²	63.8	24%	0.239	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.6	179.8	-55.2	-96.6	0	0	0	109	L495 T496 E498 T506 P518 A520 T521	L495-Y508 HydrophobicContact CD2-CD2 4.05Å; L495-Y508 HydrophobicContact CD2-CE2 3.49Å; L495-Y508 VanDerWaalsContact CD2-CE2 3.49Å; L495-Y508 HydrophobicContact CG-CD2 3.92Å; L495-Y508 HydrophobicContact CG-CE2 3.83Å; L495-Y508 WeakPolarHBondContact O-CB 3.5Å; T496-Y508 PolarHBondContact O-N 3.1Å; E498-Y508 HydrophobicContact CB-CE2 4.27Å; T506-Y508 HydrophobicContact CG2-CE1 4.41Å; T506-Y508 HydrophobicContact CG2-CE2 4.01Å; Y508-P518 HydrophobicContact CD1-CB 4.45Å; Y508-A520 WeakPolarHBondContact CA-O 3.18Å; Y508-T521 HydrophobicContact CD1-CG2 3.68Å; Y508-T521 HydrophobicContact CE1-CG2 3.93Å
509	S	98.1	Very high	95.5	Very high	37 Å²	37	62.5 Å²	62.5	26%	0.259	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	156	173.5	68.3	0	0	0	0	111.2	P518 S519 A520	S509-P518 CarbonylContact O-C 3.57Å; S509-P518 VanDerWaalsContact O-CA 3.3Å; S509-P518 WeakPolarHBondContact O-CA 3.21Å; S509-S519 PolarHBondContact O-N 3.39Å; S509-S519 PolarHBondContact O-OG 3.03Å; S509-S519 PolarHBondContact OG-OG 3.25Å; S509-A520 PolarHBondContact N-O 2.81Å; S509-A520 VanDerWaalsContact OG-CB 3.24Å; S509-A520 WeakPolarHBondContact OG-CB 3.33Å; S509-A520 PolarHBondContact OG-N 2.88Å
510	Y	97.9	Very high	95.5	Very high	40 Å²	40	61.7 Å²	61.7	16%	0.157	33%	0.325	C	S	.	.			trans	-138.8	113.7	-177.5	-59	-89	0	0	0	109.8	R494 L495 E516 L517 P518	R494-Y510 HydrophobicContact CB-CD2 4.26Å; R494-Y510 HydrophobicContact CB-CE1 4.1Å; R494-Y510 HydrophobicContact CB-CE2 3.71Å; R494-Y510 HydrophobicContact CG-CE1 4.43Å; L495-Y510 PolarHBondContact N-OH 3.29Å; L495-Y510 VanDerWaalsContact O-CE2 3.29Å; L495-Y510 WeakPolarHBondContact O-CE2 3.46Å; L495-Y510 PolarHBondContact O-OH 2.99Å; Y510-E516 WeakPolarHBondContact CE1-O 3.31Å; Y510-L517 WeakPolarHBondContact CD1-O 3.2Å; Y510-P518 HydrophobicContact CD1-CB 4.27Å; Y510-P518 VanDerWaalsContact CE1-CA 3.48Å; Y510-P518 HydrophobicContact CE1-CB 3.8Å
511	D	94.5	Very high	95.6	Very high	128 Å²	128	61.3 Å²	61.3	68%	0.684	32%	0.319	S	S	*	.	S	Bend	trans	-84.8	-30.9	-179.8	-61.1	-3.4	0	0	0	111.5	P513 S519	D511-P513 WeakPolarHBondContact O-CD 3.44Å; D511-S519 PolarHBondContact N-OG 2.74Å; D511-S519 WeakPolarHBondContact OD1-CB 3.42Å; D511-S519 PolarHBondContact OD1-OG 2.97Å; D511-S519 WeakPolarHBondContact OD2-CB 3.29Å; D511-S519 PolarHBondContact OD2-OG 2.85Å
512	N	91.5	Very high	95.7	Very high	85 Å²	85	58.1 Å²	58.1	46%	0.455	31%	0.31	S	S	.	.			trans	-94.6	114.7	177.1	-175.4	-9.6	0	0	0	110.5	R494 H514 S515	R494-N512 PolarHBondContact NH1-O 2.83Å; N512-H514 PolarHBondContact O-N 3.35Å; N512-H514 PolarHBondContact OD1-N 2.91Å; N512-S515 PolarHBondContact O-N 3.16Å
513	P	87.9	Confident	95.8	Very high	63 Å²	63	56.5 Å²	56.5	41%	0.409	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.2	178	22.5	-28.6	0	0	0	113.8	D511	D511-P513 WeakPolarHBondContact O-CD 3.44Å
514	H	88.2	Confident	95.9	Very high	113 Å²	113	57 Å²	57	52%	0.523	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	19.7	-178.3	-53.3	82	0	0	0	113	F216 R218 N512	F216-H514 PolarHBondContact O-CD2 3.25Å; R218-H514 PolarHBondContact NH1-O 2.96Å; N512-H514 PolarHBondContact O-N 3.35Å; N512-H514 PolarHBondContact OD1-N 2.91Å
515	S	92.4	Very high	95.7	Very high	13 Å²	13	58.4 Å²	58.4	9%	0.091	31%	0.313	C	S	.	.			trans	-130.5	140.7	-179.7	-176	0	0	0	0	111.4	R494 N512 L517	R494-S515 WeakPolarHBondContact CD-O 3.1Å; R494-S515 PolarHBondContact NH1-O 3.19Å; N512-S515 PolarHBondContact O-N 3.16Å; S515-L517 VanDerWaalsContact C-N 3.32Å; S515-L517 WeakPolarHBondContact OG-CB 3.5Å; S515-L517 PolarHBondContact OG-N 3.1Å
516	E	93.2	Very high	95.4	Very high	75 Å²	75	59.4 Å²	59.4	35%	0.35	33%	0.331	S	S	.	.	S	Bend	trans	-81.6	-9.6	168.3	68.1	-85.3	-118.3	0	0	113.5	F216 R218 Y510	F216-E516 HydrophobicContact CE2-CB 3.7Å; F216-E516 HydrophobicContact CZ-CB 3.77Å; R218-E516 IonicContact CZ-OE1 3.08Å; R218-E516 IonicContact CZ-OE2 2.82Å; R218-E516 VanDerWaalsContact CZ-OE2 3.26Å; R218-E516 IonicContact NH1-OE1 2.75Å; R218-E516 IonicContact NH1-OE2 3.95Å; R218-E516 PolarHBondContact NH1-OE2 2.57Å; R218-E516 VanDerWaalsContact NH2-CD 3.27Å; R218-E516 IonicContact NH2-OE1 3.16Å; R218-E516 PolarHBondContact NH2-OE1 2.77Å; R218-E516 IonicContact NH2-OE2 3.7Å; R218-E516 PolarHBondContact NH2-OE2 3.17Å; Y510-E516 WeakPolarHBondContact CE1-O 3.31Å
517	L	96.2	Very high	95.3	Very high	47 Å²	47	59.5 Å²	59.5	25%	0.246	33%	0.333	C	S	.	.	S	Bend	trans	-90	128.1	-174.5	-58.1	173.2	0	0	0	111	Y510 S515 W533	Y510-L517 WeakPolarHBondContact CD1-O 3.2Å; S515-L517 VanDerWaalsContact C-N 3.32Å; S515-L517 WeakPolarHBondContact OG-CB 3.5Å; S515-L517 PolarHBondContact OG-N 3.1Å; L517-W533 HydrophobicContact CB-CD2 3.92Å; L517-W533 HydrophobicContact CB-CG 3.97Å; L517-W533 HydrophobicContact CB-CZ2 4.35Å; L517-W533 HydrophobicContact CD1-CB 4.07Å; L517-W533 HydrophobicContact CD1-CD2 3.76Å; L517-W533 HydrophobicContact CD1-CE3 3.85Å; L517-W533 HydrophobicContact CD1-CG 3.85Å; L517-W533 HydrophobicContact CG-CD2 4.35Å
518	P	97.8	Very high	95.2	Very high	26 Å²	26	57.9 Å²	57.9	17%	0.169	33%	0.327	C	S	.	.			trans	-71.7	142.3	-176.6	29.3	-34.5	0	0	0	112.4	Y508 S509 Y510 W533	Y508-P518 HydrophobicContact CD1-CB 4.45Å; S509-P518 CarbonylContact O-C 3.57Å; S509-P518 VanDerWaalsContact O-CA 3.3Å; S509-P518 WeakPolarHBondContact O-CA 3.21Å; Y510-P518 HydrophobicContact CD1-CB 4.27Å; Y510-P518 VanDerWaalsContact CE1-CA 3.48Å; Y510-P518 HydrophobicContact CE1-CB 3.8Å; P518-W533 PolarHBondContact O-NE1 2.89Å
519	S	97.9	Very high	95.2	Very high	12 Å²	12	58.9 Å²	58.9	8%	0.084	33%	0.332	C	S	.	.	S	Bend	trans	-83.7	-25.6	171.9	56	0	0	0	0	112.7	S509 D511 Q530 M531	S509-S519 PolarHBondContact O-N 3.39Å; S509-S519 PolarHBondContact O-OG 3.03Å; S509-S519 PolarHBondContact OG-OG 3.25Å; D511-S519 PolarHBondContact N-OG 2.74Å; D511-S519 WeakPolarHBondContact OD1-CB 3.42Å; D511-S519 PolarHBondContact OD1-OG 2.97Å; D511-S519 WeakPolarHBondContact OD2-CB 3.29Å; D511-S519 PolarHBondContact OD2-OG 2.85Å; S519-Q530 WeakPolarHBondContact O-CA 3.2Å; S519-M531 PolarHBondContact O-N 3.35Å
520	A	98.2	Very high	95.2	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.008	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	159.4	173.7	0	0	0	0	0	112.8	Y508 S509 R528 K529 Q530	Y508-A520 WeakPolarHBondContact CA-O 3.18Å; S509-A520 PolarHBondContact N-O 2.81Å; S509-A520 VanDerWaalsContact OG-CB 3.24Å; S509-A520 WeakPolarHBondContact OG-CB 3.33Å; S509-A520 PolarHBondContact OG-N 2.88Å; A520-R528 VanDerWaalsContact CB-CZ 3.42Å; A520-K529 CarbonylContact C-O 3.59Å; A520-K529 WeakPolarHBondContact CA-O 3.41Å; A520-K529 WeakPolarHBondContact CB-O 3.32Å; A520-Q530 HydrophobicContact CB-CG 4.21Å
521	T	98.2	Very high	95.2	Very high	26 Å²	26	60.9 Å²	60.9	16%	0.16	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	135	172.8	63.6	0	0	0	0	110.4	R507 Y508 R528 K529 M531	R507-T521 CarbonylContact O-C 3.54Å; R507-T521 VanDerWaalsContact O-CA 3.32Å; R507-T521 WeakPolarHBondContact O-CA 3.27Å; Y508-T521 HydrophobicContact CD1-CG2 3.68Å; Y508-T521 HydrophobicContact CE1-CG2 3.93Å; T521-R528 CarbonylContact O-C 3.58Å; T521-R528 WeakPolarHBondContact O-CA 3.47Å; T521-K529 PolarHBondContact N-O 2.96Å; T521-K529 PolarHBondContact O-N 2.68Å; T521-M531 HydrophobicContact CG2-CE 4.33Å
522	E	98.3	Very high	95.3	Very high	72 Å²	72	57.8 Å²	57.8	34%	0.336	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.2	178	-68.8	168.1	-168.2	0	0	109.4	T506 R507 S527 R528	T506-E522 CarbonylContact C-O 3.54Å; T506-E522 VanDerWaalsContact CA-O 3.22Å; T506-E522 WeakPolarHBondContact CA-O 3.46Å; T506-E522 WeakPolarHBondContact CG2-O 3.18Å; R507-E522 HydrophobicContact CB-CB 4.37Å; R507-E522 PolarHBondContact N-O 2.87Å; R507-E522 PolarHBondContact O-N 3.02Å; E522-S527 WeakPolarHBondContact CA-O 3.4Å; E522-R528 HydrophobicContact CG-CB 3.92Å; E522-R528 HydrophobicContact CG-CG 3.6Å; E522-R528 WeakPolarHBondContact OE1-CD 3.32Å; E522-R528 IonicContact OE1-CZ 3.87Å; E522-R528 IonicContact OE1-NE 3.97Å; E522-R528 PolarHBondContact OE1-NE 3Å
523	D	96	Very high	95.6	Very high	61 Å²	61	57.6 Å²	57.6	33%	0.326	32%	0.318	S	S	.	.			trans	-90	-178.4	177.1	72.3	23.8	0	0	0	113	V505 T525 G526 S527	V505-D523 CarbonylContact O-C 3.57Å; V505-D523 VanDerWaalsContact O-C 3.3Å; D523-T525 PolarHBondContact O-N 3.27Å; D523-T525 WeakPolarHBondContact OD1-CA 3.48Å; D523-T525 WeakPolarHBondContact OD1-CB 3.36Å; D523-T525 PolarHBondContact OD1-N 2.85Å; D523-T525 PolarHBondContact OD1-OG1 3.21Å; D523-G526 PolarHBondContact O-N 3.39Å; D523-G526 PolarHBondContact OD1-N 3.22Å; D523-S527 PolarHBondContact N-O 2.87Å; D523-S527 WeakPolarHBondContact OD1-CB 3.27Å; D523-S527 PolarHBondContact OD1-N 2.9Å; D523-S527 VanDerWaalsContact OD1-N 3.08Å; D523-S527 WeakPolarHBondContact OD2-CB 3.37Å
524	A	95.5	Very high	96	Very high	55 Å²	55	55 Å²	55	46%	0.455	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.1	-177.1	0	0	0	0	0	113.6	D504 V505 G526	D504-A524 HydrophobicContact CB-CB 3.84Å; V505-A524 WeakPolarHBondContact O-CA 3.48Å; V505-A524 PolarHBondContact O-N 2.96Å; A524-G526 VanDerWaalsContact C-N 3.29Å
525	T	94.8	Very high	96.2	Very high	112 Å²	112	54.4 Å²	54.4	69%	0.687	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-7.2	176.8	73	0	0	0	0	112.3	D523 S527	D523-T525 PolarHBondContact O-N 3.27Å; D523-T525 WeakPolarHBondContact OD1-CA 3.48Å; D523-T525 WeakPolarHBondContact OD1-CB 3.36Å; D523-T525 PolarHBondContact OD1-N 2.85Å; D523-T525 PolarHBondContact OD1-OG1 3.21Å; T525-S527 VanDerWaalsContact C-N 3.29Å; T525-S527 WeakPolarHBondContact OG1-CB 3.2Å; T525-S527 PolarHBondContact OG1-N 2.87Å; T525-S527 PolarHBondContact OG1-OG 3.48Å
526	G	91.1	Very high	96.4	Very high	57 Å²	57	54.1 Å²	54.1	59%	0.588	29%	0.292	S	S	*	.			trans	83.4	5.2	-171.1	0	0	0	0	0	113.2	D523 A524 R528	D523-G526 PolarHBondContact O-N 3.39Å; D523-G526 PolarHBondContact OD1-N 3.22Å; A524-G526 VanDerWaalsContact C-N 3.29Å; G526-R528 PolarHBondContact O-N 2.91Å
527	S	95.7	Very high	96.5	Very high	44 Å²	44	52 Å²	52	31%	0.308	29%	0.291	S	S	.	.			trans	-69.1	128.7	176.2	-62.2	0	0	0	0	109.5	E522 D523 T525	E522-S527 WeakPolarHBondContact CA-O 3.4Å; D523-S527 PolarHBondContact N-O 2.87Å; D523-S527 WeakPolarHBondContact OD1-CB 3.27Å; D523-S527 PolarHBondContact OD1-N 2.9Å; D523-S527 VanDerWaalsContact OD1-N 3.08Å; D523-S527 WeakPolarHBondContact OD2-CB 3.37Å; T525-S527 VanDerWaalsContact C-N 3.29Å; T525-S527 WeakPolarHBondContact OG1-CB 3.2Å; T525-S527 PolarHBondContact OG1-N 2.87Å; T525-S527 PolarHBondContact OG1-OG 3.48Å
528	R	97.2	Very high	96.5	Very high	88 Å²	88	50.5 Å²	50.5	33%	0.332	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.2	-169.4	-172.9	168.7	-167.5	-82.6	-1.2	111.8	A520 T521 E522 G526 C545	A520-R528 VanDerWaalsContact CB-CZ 3.42Å; T521-R528 CarbonylContact O-C 3.58Å; T521-R528 WeakPolarHBondContact O-CA 3.47Å; E522-R528 HydrophobicContact CG-CB 3.92Å; E522-R528 HydrophobicContact CG-CG 3.6Å; E522-R528 WeakPolarHBondContact OE1-CD 3.32Å; E522-R528 IonicContact OE1-CZ 3.87Å; E522-R528 IonicContact OE1-NE 3.97Å; E522-R528 PolarHBondContact OE1-NE 3Å; G526-R528 PolarHBondContact O-N 2.91Å; R528-C545 VanDerWaalsContact O-CA 3.27Å; R528-C545 WeakPolarHBondContact O-CA 3.35Å
529	K	97.8	Very high	96.5	Very high	81 Å²	81	50.9 Å²	50.9	35%	0.352	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147.4	174.9	-58.7	165	-176.7	172	0	109.5	A520 T521 M531 F542 T543	A520-K529 CarbonylContact C-O 3.59Å; A520-K529 WeakPolarHBondContact CA-O 3.41Å; A520-K529 WeakPolarHBondContact CB-O 3.32Å; T521-K529 PolarHBondContact N-O 2.96Å; T521-K529 PolarHBondContact O-N 2.68Å; K529-M531 HydrophobicContact CB-CE 4.22Å; K529-F542 HydrophobicContact CB-CE2 3.94Å; K529-F542 HydrophobicContact CB-CZ 4.3Å; K529-F542 HydrophobicContact CD-CE2 4.07Å; K529-F542 HydrophobicContact CD-CZ 3.93Å; K529-F542 HydrophobicContact CG-CE2 4.26Å; K529-F542 HydrophobicContact CG-CZ 4.15Å; K529-T543 CarbonylContact C-O 3.51Å; K529-T543 VanDerWaalsContact CA-O 3.24Å; K529-T543 WeakPolarHBondContact CA-O 3.42Å
530	Q	98.3	Very high	96.5	Very high	87 Å²	87	54.1 Å²	54.1	41%	0.407	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.3	177.6	-59.1	-173.5	-84.2	0	0	111.3	S519 A520 F542 T543	S519-Q530 WeakPolarHBondContact O-CA 3.2Å; A520-Q530 HydrophobicContact CB-CG 4.21Å; Q530-F542 CarbonylContact O-C 3.54Å; Q530-F542 WeakPolarHBondContact O-CA 3.47Å; Q530-T543 PolarHBondContact N-O 3.09Å; Q530-T543 PolarHBondContact O-N 3.43Å
531	M	98.2	Very high	96.5	Very high	33 Å²	33	54.9 Å²	54.9	16%	0.163	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	139	179.6	-62.5	82.4	167.4	0	0	110.3	S519 T521 K529 W533 L539 T541 F542	S519-M531 PolarHBondContact O-N 3.35Å; T521-M531 HydrophobicContact CG2-CE 4.33Å; K529-M531 HydrophobicContact CB-CE 4.22Å; M531-W533 HydrophobicContact CB-CZ2 3.71Å; M531-W533 HydrophobicContact CG-CZ2 3.96Å; M531-L539 HydrophobicContact CB-CD1 3.7Å; M531-L539 HydrophobicContact CG-CD1 3.77Å; M531-T541 WeakPolarHBondContact CA-O 3.39Å; M531-F542 HydrophobicContact CE-CD2 3.86Å; M531-F542 HydrophobicContact CE-CE2 3.63Å; M531-F542 HydrophobicContact CG-CD2 4.03Å; M531-F542 HydrophobicContact SD-CD2 4.4Å
532	T	97.9	Very high	96.5	Very high	63 Å²	63	56 Å²	56	39%	0.387	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	149.2	164.3	64.7	0	0	0	0	109.7	Q540 T541	T532-Q540 PolarHBondContact O-N 2.69Å; T532-T541 WeakPolarHBondContact CG2-OG1 3.33Å; T532-T541 PolarHBondContact N-O 2.99Å; T532-T541 WeakPolarHBondContact OG1-CB 3.4Å; T532-T541 PolarHBondContact OG1-N 3.21Å; T532-T541 PolarHBondContact OG1-OG1 2.96Å
533	W	97.1	Very high	96.4	Very high	80 Å²	80	53.5 Å²	53.5	30%	0.303	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.8	-172.3	-51.8	91.6	0	0	0	110.4	L517 P518 M531 Q538 L539	L517-W533 HydrophobicContact CB-CD2 3.92Å; L517-W533 HydrophobicContact CB-CG 3.97Å; L517-W533 HydrophobicContact CB-CZ2 4.35Å; L517-W533 HydrophobicContact CD1-CB 4.07Å; L517-W533 HydrophobicContact CD1-CD2 3.76Å; L517-W533 HydrophobicContact CD1-CE3 3.85Å; L517-W533 HydrophobicContact CD1-CG 3.85Å; L517-W533 HydrophobicContact CG-CD2 4.35Å; P518-W533 PolarHBondContact O-NE1 2.89Å; M531-W533 HydrophobicContact CB-CZ2 3.71Å; M531-W533 HydrophobicContact CG-CZ2 3.96Å; W533-Q538 CarbonylContact C-O 3.57Å; W533-Q538 VanDerWaalsContact CA-O 3.3Å; W533-Q538 WeakPolarHBondContact CA-O 3.13Å; W533-L539 HydrophobicContact CD2-CD1 4.43Å; W533-L539 HydrophobicContact CE3-CB 4.01Å; W533-L539 HydrophobicContact CE3-CD1 4.21Å; W533-L539 HydrophobicContact CH2-CB 4.42Å; W533-L539 HydrophobicContact CH2-CD1 3.97Å; W533-L539 HydrophobicContact CZ2-CD1 4.19Å; W533-L539 HydrophobicContact CZ3-CB 3.72Å; W533-L539 HydrophobicContact CZ3-CD1 3.98Å; W533-L539 HydrophobicContact CZ3-CG 4.43Å
534	S	95.2	Very high	96.4	Very high	10 Å²	10	53 Å²	53	7%	0.07	29%	0.291	C	S	.	.			trans	-66.8	166.4	170.7	79.5	0	0	0	0	110.7	Y536 G537 Q538	S534-Y536 PolarHBondContact O-N 3.41Å; S534-Y536 VanDerWaalsContact O-N 3.1Å; S534-Y536 PolarHBondContact OG-N 2.91Å; S534-Y536 VanDerWaalsContact OG-N 3.13Å; S534-G537 PolarHBondContact O-N 2.85Å; S534-Q538 PolarHBondContact N-O 3.18Å; S534-Q538 WeakPolarHBondContact OG-CB 3.44Å; S534-Q538 PolarHBondContact OG-N 3.27Å
535	R	93.8	Very high	96.4	Very high	99 Å²	99	53.2 Å²	53.2	37%	0.374	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.4	171	72.7	-165.6	-52	-85.7	-10.7	113.4	P69 A241 P300 E301 G537	P69-R535 VanDerWaalsContact CD-O 3.23Å; P69-R535 WeakPolarHBondContact CD-O 3.4Å; A241-R535 PolarHBondContact O-NH1 2.94Å; A241-R535 PolarHBondContact O-NH2 3.21Å; P300-R535 VanDerWaalsContact CB-CZ 3.44Å; P300-R535 VanDerWaalsContact CD-NH1 3.3Å; E301-R535 WeakPolarHBondContact OE2-CD 3.43Å; E301-R535 WeakPolarHBondContact OE2-CG 3.39Å; R535-G537 VanDerWaalsContact C-N 3.32Å
536	Y	95.9	Very high	96.3	Very high	8 Å²	8	52.5 Å²	52.5	3%	0.031	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	6.9	176.6	-59.1	-46.7	0	0	0	113.4	P67 G68 A241 R243 D299 E301 Y302 S534 Q538	P67-Y536 CarbonylContact C-O 3.58Å; G68-Y536 VanDerWaalsContact CA-O 3.23Å; G68-Y536 WeakPolarHBondContact CA-O 3.18Å; G68-Y536 PolarHBondContact N-O 2.98Å; G68-Y536 VanDerWaalsContact N-O 3.16Å; A241-Y536 HydrophobicContact CB-CD1 3.49Å; A241-Y536 VanDerWaalsContact CB-CD1 3.49Å; A241-Y536 HydrophobicContact CB-CE1 3.49Å; A241-Y536 VanDerWaalsContact CB-CE1 3.49Å; R243-Y536 HydrophobicContact CG-CE1 3.87Å; D299-Y536 PolarHBondContact OD1-OH 3.12Å; D299-Y536 PolarHBondContact OD2-OH 3.03Å; E301-Y536 HydrophobicContact CB-CE2 3.59Å; E301-Y536 WeakPolarHBondContact CB-OH 3.39Å; E301-Y536 HydrophobicContact CG-CE2 4.19Å; E301-Y536 WeakPolarHBondContact OE2-CD2 3.31Å; E301-Y536 WeakPolarHBondContact OE2-CE2 3.4Å; Y302-Y536 HydrophobicContact CD2-CE2 4.48Å; Y302-Y536 HydrophobicContact CE2-CE2 4.12Å; S534-Y536 PolarHBondContact O-N 3.41Å; S534-Y536 VanDerWaalsContact O-N 3.1Å; S534-Y536 PolarHBondContact OG-N 2.91Å; S534-Y536 VanDerWaalsContact OG-N 3.13Å; Y536-Q538 VanDerWaalsContact C-N 3.32Å
537	G	95.1	Very high	96.3	Very high	31 Å²	31	52.3 Å²	52.3	32%	0.32	29%	0.286	S	S	.	.	S	Bend	trans	73.4	23.2	179.7	0	0	0	0	0	113.6	S534 R535	S534-G537 PolarHBondContact O-N 2.85Å; R535-G537 VanDerWaalsContact C-N 3.32Å
538	Q	96.8	Very high	96.2	Very high	15 Å²	15	56 Å²	56	7%	0.07	29%	0.294	C	S	.	.			trans	-98.2	140	178.7	-56.8	170.1	-79.1	0	0	109.7	P67 W533 S534 Y536 Q540 Y554 G558	P67-Q538 HydrophobicContact CB-CG 4.29Å; P67-Q538 HydrophobicContact CG-CG 4.28Å; W533-Q538 CarbonylContact C-O 3.57Å; W533-Q538 VanDerWaalsContact CA-O 3.3Å; W533-Q538 WeakPolarHBondContact CA-O 3.13Å; S534-Q538 PolarHBondContact N-O 3.18Å; S534-Q538 WeakPolarHBondContact OG-CB 3.44Å; S534-Q538 PolarHBondContact OG-N 3.27Å; Y536-Q538 VanDerWaalsContact C-N 3.32Å; Q538-Q540 PolarHBondContact O-N 2.76Å; Q538-Y554 HydrophobicContact CB-CD2 4.06Å; Q538-Y554 HydrophobicContact CB-CE1 4.22Å; Q538-Y554 HydrophobicContact CB-CE2 3.69Å; Q538-Y554 HydrophobicContact CB-CG 4.5Å; Q538-G558 PolarHBondContact NE2-O 3.24Å; Q538-G558 VanDerWaalsContact NE2-O 3.08Å
539	L	97.7	Very high	96.2	Very high	34 Å²	34	55.5 Å²	55.5	18%	0.178	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	121.2	179.9	-178	64.7	0	0	0	109.6	M531 W533 T541 F542 Y552 Y554	M531-L539 HydrophobicContact CB-CD1 3.7Å; M531-L539 HydrophobicContact CG-CD1 3.77Å; W533-L539 HydrophobicContact CD2-CD1 4.43Å; W533-L539 HydrophobicContact CE3-CB 4.01Å; W533-L539 HydrophobicContact CE3-CD1 4.21Å; W533-L539 HydrophobicContact CH2-CB 4.42Å; W533-L539 HydrophobicContact CH2-CD1 3.97Å; W533-L539 HydrophobicContact CZ2-CD1 4.19Å; W533-L539 HydrophobicContact CZ3-CB 3.72Å; W533-L539 HydrophobicContact CZ3-CD1 3.98Å; W533-L539 HydrophobicContact CZ3-CG 4.43Å; L539-T541 VanDerWaalsContact CD1-O 3.29Å; L539-T541 WeakPolarHBondContact CD1-O 3.43Å; L539-F542 HydrophobicContact CD1-CB 4.5Å; L539-F542 HydrophobicContact CD2-CB 4.18Å; L539-Y552 HydrophobicContact CD2-CD2 4.08Å; L539-Y552 HydrophobicContact CD2-CE2 3.55Å; L539-Y552 HydrophobicContact CG-CD2 3.94Å; L539-Y552 HydrophobicContact CG-CE2 3.88Å; L539-Y552 VanDerWaalsContact O-CB 3.28Å; L539-Y552 WeakPolarHBondContact O-CB 3.36Å; L539-Y554 WeakPolarHBondContact O-CE2 3.47Å; L539-Y554 PolarHBondContact O-OH 2.82Å
540	Q	97.3	Very high	96.2	Very high	79 Å²	79	52.3 Å²	52.3	37%	0.369	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-50.8	179.5	-77	-178.6	-35.3	0	0	111.7	T532 Q538 H551 Y552	T532-Q540 PolarHBondContact O-N 2.69Å; Q538-Q540 PolarHBondContact O-N 2.76Å; Q540-H551 CarbonylContact O-C 3.56Å; Q540-H551 WeakPolarHBondContact O-CA 3.31Å; Q540-Y552 PolarHBondContact O-N 2.89Å
541	T	98.1	Very high	96.2	Very high	18 Å²	18	52.1 Å²	52.1	11%	0.11	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.2	172.9	75.8	0	0	0	0	111.1	M531 T532 L539 E549 T550	M531-T541 WeakPolarHBondContact CA-O 3.39Å; T532-T541 WeakPolarHBondContact CG2-OG1 3.33Å; T532-T541 PolarHBondContact N-O 2.99Å; T532-T541 WeakPolarHBondContact OG1-CB 3.4Å; T532-T541 PolarHBondContact OG1-N 3.21Å; T532-T541 PolarHBondContact OG1-OG1 2.96Å; L539-T541 VanDerWaalsContact CD1-O 3.29Å; L539-T541 WeakPolarHBondContact CD1-O 3.43Å; T541-E549 WeakPolarHBondContact CB-OE2 3.4Å; T541-E549 HydrophobicContact CG2-CG 4.47Å; T541-E549 PolarHBondContact OG1-OE2 2.93Å; T541-T550 CarbonylContact C-O 3.59Å; T541-T550 VanDerWaalsContact CA-O 3.31Å; T541-T550 WeakPolarHBondContact CA-O 3.39Å
542	F	98.1	Very high	96.2	Very high	49 Å²	49	53.1 Å²	53.1	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	116.2	172.2	171.8	-99.7	0	0	0	109.2	K529 Q530 M531 L539 D544 E549 T550 Y552	K529-F542 HydrophobicContact CB-CE2 3.94Å; K529-F542 HydrophobicContact CB-CZ 4.3Å; K529-F542 HydrophobicContact CD-CE2 4.07Å; K529-F542 HydrophobicContact CD-CZ 3.93Å; K529-F542 HydrophobicContact CG-CE2 4.26Å; K529-F542 HydrophobicContact CG-CZ 4.15Å; Q530-F542 CarbonylContact O-C 3.54Å; Q530-F542 WeakPolarHBondContact O-CA 3.47Å; M531-F542 HydrophobicContact CE-CD2 3.86Å; M531-F542 HydrophobicContact CE-CE2 3.63Å; M531-F542 HydrophobicContact CG-CD2 4.03Å; M531-F542 HydrophobicContact SD-CD2 4.4Å; L539-F542 HydrophobicContact CD1-CB 4.5Å; L539-F542 HydrophobicContact CD2-CB 4.18Å; F542-D544 HydrophobicContact CE1-CB 3.93Å; F542-D544 HydrophobicContact CZ-CB 4.4Å; F542-E549 CarbonylContact O-C 3.54Å; F542-E549 WeakPolarHBondContact O-CA 3.33Å; F542-T550 PolarHBondContact N-O 3.08Å; F542-T550 PolarHBondContact O-N 2.93Å; F542-Y552 HydrophobicContact CB-CE2 3.98Å
543	T	97.9	Very high	96.2	Very high	20 Å²	20	55 Å²	55	12%	0.123	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.7	173.6	-40.9	0	0	0	0	109.1	K529 Q530 Y548	K529-T543 CarbonylContact C-O 3.51Å; K529-T543 VanDerWaalsContact CA-O 3.24Å; K529-T543 WeakPolarHBondContact CA-O 3.42Å; Q530-T543 PolarHBondContact N-O 3.09Å; Q530-T543 PolarHBondContact O-N 3.43Å; T543-Y548 CarbonylContact C-O 3.57Å; T543-Y548 VanDerWaalsContact CA-O 3.3Å; T543-Y548 WeakPolarHBondContact CA-O 3.16Å
544	D	95.4	Very high	96.2	Very high	49 Å²	49	53.3 Å²	53.3	26%	0.262	28%	0.282	S	S	.	.			trans	-78.8	-178.8	176.7	76.5	7.3	0	0	0	112.6	F542 S546 G547 Y548	F542-D544 HydrophobicContact CE1-CB 3.93Å; F542-D544 HydrophobicContact CZ-CB 4.4Å; D544-S546 PolarHBondContact O-N 2.83Å; D544-S546 VanDerWaalsContact OD1-CA 3.32Å; D544-S546 WeakPolarHBondContact OD1-CA 3.35Å; D544-S546 WeakPolarHBondContact OD1-CB 3.37Å; D544-S546 PolarHBondContact OD1-N 3.41Å; D544-G547 PolarHBondContact O-N 2.88Å; D544-G547 VanDerWaalsContact O-N 3.12Å; D544-G547 PolarHBondContact OD1-N 2.82Å; D544-Y548 PolarHBondContact N-O 2.82Å; D544-Y548 PolarHBondContact OD1-N 3.04Å
545	C	94.2	Very high	96.1	Very high	61 Å²	61	54.4 Å²	54.4	41%	0.412	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.9	-178.9	-47.7	0	0	0	0	113.6	R528	R528-C545 VanDerWaalsContact O-CA 3.27Å; R528-C545 WeakPolarHBondContact O-CA 3.35Å
546	S	93.3	Very high	96.1	Very high	96 Å²	96	52.6 Å²	52.6	67%	0.671	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-7.3	175.8	-63.9	0	0	0	0	112.2	D544	D544-S546 PolarHBondContact O-N 2.83Å; D544-S546 VanDerWaalsContact OD1-CA 3.32Å; D544-S546 WeakPolarHBondContact OD1-CA 3.35Å; D544-S546 WeakPolarHBondContact OD1-CB 3.37Å; D544-S546 PolarHBondContact OD1-N 3.41Å
547	G	91.4	Very high	96.1	Very high	53 Å²	53	53.8 Å²	53.8	55%	0.546	29%	0.286	S	S	.	.	S	Bend	trans	89.3	5.5	-178.1	0	0	0	0	0	113.8	D544	D544-G547 PolarHBondContact O-N 2.88Å; D544-G547 VanDerWaalsContact O-N 3.12Å; D544-G547 PolarHBondContact OD1-N 2.82Å
548	Y	94.3	Very high	96	Very high	123 Å²	123	53.3 Å²	53.3	48%	0.482	28%	0.281	S	S	.	.			trans	-78.1	131.6	176.5	-67	-60.3	0	0	0	110.5	T543 D544 E566	T543-Y548 CarbonylContact C-O 3.57Å; T543-Y548 VanDerWaalsContact CA-O 3.3Å; T543-Y548 WeakPolarHBondContact CA-O 3.16Å; D544-Y548 PolarHBondContact N-O 2.82Å; D544-Y548 PolarHBondContact OD1-N 3.04Å; Y548-E566 HydrophobicContact CD1-CB 3.97Å; Y548-E566 HydrophobicContact CD1-CG 4.35Å; Y548-E566 HydrophobicContact CE1-CB 4.46Å; Y548-E566 HydrophobicContact CG-CB 4.5Å
549	E	95.8	Very high	96	Very high	77 Å²	77	54 Å²	54	36%	0.36	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.8	-178.2	-171.1	170.4	62.6	0	0	111.5	T541 F542 H551	T541-E549 WeakPolarHBondContact CB-OE2 3.4Å; T541-E549 HydrophobicContact CG2-CG 4.47Å; T541-E549 PolarHBondContact OG1-OE2 2.93Å; F542-E549 CarbonylContact O-C 3.54Å; F542-E549 WeakPolarHBondContact O-CA 3.33Å; E549-H551 IonicContact OE1-CE1 3.42Å; E549-H551 PolarHBondContact OE1-CE1 3.17Å; E549-H551 IonicContact OE1-NE2 2.77Å; E549-H551 PolarHBondContact OE1-NE2 2.81Å
550	T	97.9	Very high	96.1	Very high	14 Å²	14	55.1 Å²	55.1	9%	0.086	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.9	169.2	-58.4	0	0	0	0	109.8	T541 F542 Y552 V563 H564 R565	T541-T550 CarbonylContact C-O 3.59Å; T541-T550 VanDerWaalsContact CA-O 3.31Å; T541-T550 WeakPolarHBondContact CA-O 3.39Å; F542-T550 PolarHBondContact N-O 3.08Å; F542-T550 PolarHBondContact O-N 2.93Å; T550-Y552 HydrophobicContact CG2-CD2 4.44Å; T550-Y552 HydrophobicContact CG2-CE1 4.2Å; T550-Y552 HydrophobicContact CG2-CE2 3.78Å; T550-V563 HydrophobicContact CG2-CG1 3.52Å; T550-H564 CarbonylContact C-O 3.54Å; T550-H564 VanDerWaalsContact CA-O 3.26Å; T550-H564 WeakPolarHBondContact CA-O 3.49Å; T550-R565 HydrophobicContact CG2-CG 3.98Å
551	H	98	Very high	96.1	Very high	82 Å²	82	54.3 Å²	54.3	38%	0.38	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	142.8	174.8	-62	72.9	0	0	0	111.1	Q540 E549 V563 H564	Q540-H551 CarbonylContact O-C 3.56Å; Q540-H551 WeakPolarHBondContact O-CA 3.31Å; E549-H551 IonicContact OE1-CE1 3.42Å; E549-H551 PolarHBondContact OE1-CE1 3.17Å; E549-H551 IonicContact OE1-NE2 2.77Å; E549-H551 PolarHBondContact OE1-NE2 2.81Å; H551-V563 CarbonylContact O-C 3.47Å; H551-V563 WeakPolarHBondContact O-CA 3.33Å; H551-H564 HydrophobicContact CB-CB 4.22Å; H551-H564 PolarHBondContact N-O 2.92Å; H551-H564 PolarHBondContact O-N 2.88Å
552	Y	98.3	Very high	96.1	Very high	54 Å²	54	53.5 Å²	53.5	21%	0.212	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.4	179.4	-57.6	-94.7	0	0	0	110.2	L539 Q540 F542 T550 M560 V563	L539-Y552 HydrophobicContact CD2-CD2 4.08Å; L539-Y552 HydrophobicContact CD2-CE2 3.55Å; L539-Y552 HydrophobicContact CG-CD2 3.94Å; L539-Y552 HydrophobicContact CG-CE2 3.88Å; L539-Y552 VanDerWaalsContact O-CB 3.28Å; L539-Y552 WeakPolarHBondContact O-CB 3.36Å; Q540-Y552 PolarHBondContact O-N 2.89Å; F542-Y552 HydrophobicContact CB-CE2 3.98Å; T550-Y552 HydrophobicContact CG2-CD2 4.44Å; T550-Y552 HydrophobicContact CG2-CE1 4.2Å; T550-Y552 HydrophobicContact CG2-CE2 3.78Å; Y552-M560 HydrophobicContact CD1-CE 3.63Å; Y552-M560 HydrophobicContact CD1-SD 4.2Å; Y552-M560 HydrophobicContact CE1-CE 4.16Å; Y552-V563 HydrophobicContact CD1-CG1 4.19Å; Y552-V563 HydrophobicContact CD1-CG2 3.93Å; Y552-V563 HydrophobicContact CE1-CG1 3.97Å; Y552-V563 HydrophobicContact CE1-CG2 4.19Å
553	E	97.8	Very high	96.1	Very high	104 Å²	104	51.6 Å²	51.6	49%	0.486	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	143.1	175.5	-57.9	-171	166.3	0	0	110.3	M560 M561 A562 H564	E553-M560 CarbonylContact O-C 3.55Å; E553-M560 WeakPolarHBondContact O-CA 3.2Å; E553-M561 PolarHBondContact O-N 2.82Å; E553-A562 HydrophobicContact CB-CB 4.06Å; E553-A562 HydrophobicContact CG-CB 4.27Å; E553-A562 PolarHBondContact N-O 3.16Å; E553-A562 PolarHBondContact O-N 2.89Å; E553-H564 IonicContact OE1-CD2 3.99Å; E553-H564 IonicContact OE1-NE2 3.64Å; E553-H564 PolarHBondContact OE1-NE2 3.37Å; E553-H564 IonicContact OE2-NE2 3.68Å
554	Y	97.1	Very high	96.1	Very high	43 Å²	43	52.5 Å²	52.5	17%	0.169	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.6	179.6	-54.3	-91.8	0	0	0	110.4	Y302 Q538 L539 Q559 M560	Y302-Y554 PolarHBondContact OH-O 2.86Å; Q538-Y554 HydrophobicContact CB-CD2 4.06Å; Q538-Y554 HydrophobicContact CB-CE1 4.22Å; Q538-Y554 HydrophobicContact CB-CE2 3.69Å; Q538-Y554 HydrophobicContact CB-CG 4.5Å; L539-Y554 WeakPolarHBondContact O-CE2 3.47Å; L539-Y554 PolarHBondContact O-OH 2.82Å; Y554-Q559 CarbonylContact C-O 3.55Å; Y554-Q559 WeakPolarHBondContact CA-O 3.33Å; Y554-M560 HydrophobicContact CD1-CB 4.05Å; Y554-M560 HydrophobicContact CE1-CB 4.03Å; Y554-M560 HydrophobicContact CE1-CE 4.13Å; Y554-M560 HydrophobicContact CE1-CG 4.42Å
555	D	94.9	Very high	96.1	Very high	34 Å²	34	55.4 Å²	55.4	18%	0.182	28%	0.284	C	S	.	.			trans	-78.5	172.6	166.2	76.4	6.9	0	0	0	111.4	F557 G558 Q559 M561	D555-F557 PolarHBondContact O-N 3.42Å; D555-F557 VanDerWaalsContact OD1-CA 3.31Å; D555-F557 WeakPolarHBondContact OD1-CA 3.45Å; D555-F557 WeakPolarHBondContact OD1-CB 3.36Å; D555-F557 PolarHBondContact OD1-N 2.69Å; D555-G558 PolarHBondContact O-N 2.73Å; D555-G558 PolarHBondContact OD1-N 3Å; D555-Q559 PolarHBondContact N-O 2.91Å; D555-Q559 WeakPolarHBondContact OD1-CB 3.37Å; D555-Q559 PolarHBondContact OD1-N 2.91Å; D555-Q559 PolarHBondContact OD2-NE2 2.79Å; D555-M561 HydrophobicContact CB-CG 3.73Å; D555-M561 HydrophobicContact CB-SD 4.12Å
556	R	93	Very high	95.8	Very high	61 Å²	61	55.8 Å²	55.8	23%	0.23	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-15.5	176.5	70.9	-171.2	177.5	163.1	-2.6	115.6	Y302 N305 L306 P307	Y302-R556 HydrophobicContact CD1-CB 4.23Å; Y302-R556 HydrophobicContact CD2-CB 3.8Å; Y302-R556 HydrophobicContact CE2-CB 4.16Å; Y302-R556 HydrophobicContact CG-CB 3.88Å; N305-R556 VanDerWaalsContact O-CD 3.31Å; N305-R556 WeakPolarHBondContact O-CD 3.29Å; N305-R556 PolarHBondContact O-NH1 2.9Å; L306-R556 PolarHBondContact O-NH1 3.1Å; P307-R556 VanDerWaalsContact N-NH1 3.12Å
557	F	94.8	Very high	95.3	Very high	33 Å²	33	59.7 Å²	59.7	15%	0.145	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-0.4	177.4	-57.6	-66.2	0	0	0	112.3	L66 P307 L311 R328 D555 Q559	L66-F557 HydrophobicContact CD2-CB 4.42Å; L66-F557 HydrophobicContact CD2-CD1 4.16Å; P307-F557 HydrophobicContact CB-CE1 4.32Å; P307-F557 HydrophobicContact CB-CZ 4.38Å; P307-F557 HydrophobicContact CG-CE1 3.7Å; P307-F557 HydrophobicContact CG-CZ 4.09Å; L311-F557 HydrophobicContact CD2-CE1 4.06Å; R328-F557 VanDerWaalsContact NH1-CD1 3.28Å; D555-F557 PolarHBondContact O-N 3.42Å; D555-F557 VanDerWaalsContact OD1-CA 3.31Å; D555-F557 WeakPolarHBondContact OD1-CA 3.45Å; D555-F557 WeakPolarHBondContact OD1-CB 3.36Å; D555-F557 PolarHBondContact OD1-N 2.69Å; F557-Q559 HydrophobicContact CB-CG 4.38Å
558	G	94.9	Very high	94.8	Very high	20 Å²	20	60 Å²	60	21%	0.206	29%	0.29	C	S	.	.	S	Bend	trans	85.1	14.8	-179.8	0	0	0	0	0	114.7	Q538 D555	Q538-G558 PolarHBondContact NE2-O 3.24Å; Q538-G558 VanDerWaalsContact NE2-O 3.08Å; D555-G558 PolarHBondContact O-N 2.73Å; D555-G558 PolarHBondContact OD1-N 3Å
559	Q	96.7	Very high	94.7	Very high	29 Å²	29	56.8 Å²	56.8	14%	0.136	28%	0.28	C	S	.	.			trans	-86.6	134.5	177.9	-54.9	171	102.2	0	0	109.3	Y554 D555 F557 M561 Y575 G579	Y554-Q559 CarbonylContact C-O 3.55Å; Y554-Q559 WeakPolarHBondContact CA-O 3.33Å; D555-Q559 PolarHBondContact N-O 2.91Å; D555-Q559 WeakPolarHBondContact OD1-CB 3.37Å; D555-Q559 PolarHBondContact OD1-N 2.91Å; D555-Q559 PolarHBondContact OD2-NE2 2.79Å; F557-Q559 HydrophobicContact CB-CG 4.38Å; Q559-M561 PolarHBondContact O-N 2.69Å; Q559-Y575 HydrophobicContact CB-CD2 3.86Å; Q559-Y575 HydrophobicContact CB-CE1 4.47Å; Q559-Y575 HydrophobicContact CB-CE2 3.69Å; Q559-Y575 HydrophobicContact CB-CG 4.34Å; Q559-G579 PolarHBondContact OE1-O 2.78Å
560	M	98	Very high	94.8	Very high	59 Å²	59	53.8 Å²	53.8	29%	0.291	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	116	-176.8	-178.7	-177.5	-68.6	0	0	110.8	Y552 E553 Y554 V563 N573 Y575	Y552-M560 HydrophobicContact CD1-CE 3.63Å; Y552-M560 HydrophobicContact CD1-SD 4.2Å; Y552-M560 HydrophobicContact CE1-CE 4.16Å; E553-M560 CarbonylContact O-C 3.55Å; E553-M560 WeakPolarHBondContact O-CA 3.2Å; Y554-M560 HydrophobicContact CD1-CB 4.05Å; Y554-M560 HydrophobicContact CE1-CB 4.03Å; Y554-M560 HydrophobicContact CE1-CE 4.13Å; Y554-M560 HydrophobicContact CE1-CG 4.42Å; M560-V563 HydrophobicContact CG-CG2 4.19Å; M560-V563 HydrophobicContact SD-CG2 3.39Å; M560-V563 WeakPolarHBondContact SD-CG2 3.34Å; M560-N573 VanDerWaalsContact O-CB 3.24Å; M560-N573 WeakPolarHBondContact O-CB 3.31Å; M560-N573 PolarHBondContact O-ND2 2.94Å; M560-Y575 VanDerWaalsContact O-CE2 3.27Å; M560-Y575 WeakPolarHBondContact O-CE2 3.32Å; M560-Y575 PolarHBondContact O-OH 2.87Å; M560-Y575 VanDerWaalsContact O-OH 3.08Å
561	M	97.9	Very high	94.8	Very high	61 Å²	61	54 Å²	54	30%	0.3	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-36.8	-178.1	-74.2	-63	-57	0	0	112.8	E553 D555 Q559 Y572 N573 Y575	E553-M561 PolarHBondContact O-N 2.82Å; D555-M561 HydrophobicContact CB-CG 3.73Å; D555-M561 HydrophobicContact CB-SD 4.12Å; Q559-M561 PolarHBondContact O-N 2.69Å; M561-Y572 CarbonylContact O-C 3.57Å; M561-Y572 WeakPolarHBondContact O-CA 3.32Å; M561-N573 WeakPolarHBondContact CE-O 3.19Å; M561-N573 PolarHBondContact O-N 3.42Å; M561-Y575 HydrophobicContact SD-CD2 4.18Å; M561-Y575 HydrophobicContact SD-CE2 4.38Å
562	A	98.3	Very high	94.8	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.008	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154	-179.6	0	0	0	0	0	112.3	E553 H564 T571 Y572	E553-A562 HydrophobicContact CB-CB 4.06Å; E553-A562 HydrophobicContact CG-CB 4.27Å; E553-A562 PolarHBondContact N-O 3.16Å; E553-A562 PolarHBondContact O-N 2.89Å; A562-H564 WeakPolarHBondContact CB-NE2 3.39Å; A562-T571 VanDerWaalsContact CA-O 3.25Å; A562-T571 WeakPolarHBondContact CA-O 3.33Å; A562-Y572 HydrophobicContact CB-CD1 3.78Å; A562-Y572 HydrophobicContact CB-CE1 3.99Å
563	V	98.5	Very high	94.8	Very high	9 Å²	9	53.5 Å²	53.5	6%	0.055	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	120.2	168.6	-175.8	0	0	0	0	107.2	T550 H551 Y552 M560 R565 S570 T571	T550-V563 HydrophobicContact CG2-CG1 3.52Å; H551-V563 CarbonylContact O-C 3.47Å; H551-V563 WeakPolarHBondContact O-CA 3.33Å; Y552-V563 HydrophobicContact CD1-CG1 4.19Å; Y552-V563 HydrophobicContact CD1-CG2 3.93Å; Y552-V563 HydrophobicContact CE1-CG1 3.97Å; Y552-V563 HydrophobicContact CE1-CG2 4.19Å; M560-V563 HydrophobicContact CG-CG2 4.19Å; M560-V563 HydrophobicContact SD-CG2 3.39Å; M560-V563 WeakPolarHBondContact SD-CG2 3.34Å; V563-R565 HydrophobicContact CG1-CG 4.33Å; V563-S570 CarbonylContact O-C 3.55Å; V563-S570 VanDerWaalsContact O-CA 3.24Å; V563-S570 WeakPolarHBondContact O-CA 3.49Å; V563-T571 PolarHBondContact N-O 3.08Å; V563-T571 PolarHBondContact O-N 2.95Å
564	H	97.7	Very high	94.9	Very high	40 Å²	40	51.6 Å²	51.6	19%	0.185	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	113.5	177.8	-53.5	-74.7	0	0	0	109.2	T550 H551 E553 A562 S570 Y572	T550-H564 CarbonylContact C-O 3.54Å; T550-H564 VanDerWaalsContact CA-O 3.26Å; T550-H564 WeakPolarHBondContact CA-O 3.49Å; H551-H564 HydrophobicContact CB-CB 4.22Å; H551-H564 PolarHBondContact N-O 2.92Å; H551-H564 PolarHBondContact O-N 2.88Å; E553-H564 IonicContact OE1-CD2 3.99Å; E553-H564 IonicContact OE1-NE2 3.64Å; E553-H564 PolarHBondContact OE1-NE2 3.37Å; E553-H564 IonicContact OE2-NE2 3.68Å; A562-H564 WeakPolarHBondContact CB-NE2 3.39Å; H564-S570 PolarHBondContact ND1-OG 3.21Å; H564-Y572 AromaticContact CE1-CE1 3.95Å
565	R	95.5	Very high	94.9	Very high	110 Å²	110	52.3 Å²	52.3	42%	0.415	26%	0.264	S	S	.	.			trans	-101	-178.3	174	-61.6	-172.7	-176.8	93.5	2.3	110.4	T550 V563 I569	T550-R565 HydrophobicContact CG2-CG 3.98Å; V563-R565 HydrophobicContact CG1-CG 4.33Å; R565-I569 HydrophobicContact CB-CB 4.11Å; R565-I569 HydrophobicContact CB-CG2 4.36Å; R565-I569 WeakPolarHBondContact CB-O 3.44Å; R565-I569 PolarHBondContact N-O 3.24Å
566	E	87.3	Confident	95	Very high	68 Å²	68	52.4 Å²	52.4	32%	0.318	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-54.6	160.8	173.6	67.7	-77.1	173.1	0	0	113.2	Y548 G568 I569	Y548-E566 HydrophobicContact CD1-CB 3.97Å; Y548-E566 HydrophobicContact CD1-CG 4.35Å; Y548-E566 HydrophobicContact CE1-CB 4.46Å; Y548-E566 HydrophobicContact CG-CB 4.5Å; E566-G568 PolarHBondContact O-N 3.36Å; E566-I569 WeakPolarHBondContact O-CB 3.49Å; E566-I569 WeakPolarHBondContact O-CG1 3.37Å; E566-I569 PolarHBondContact O-N 2.97Å
567	E	83	Confident	95	Very high	178 Å²	178	54 Å²	54	83%	0.832	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	57.6	24.7	173.2	-55	-171.5	164.2	0	0	115	I569	E567-I569 PolarHBondContact O-N 2.93Å
568	G	81.1	Confident	94.9	Very high	59 Å²	59	55 Å²	55	61%	0.608	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	76.6	10.8	-178.9	0	0	0	0	0	113.7	E566 S570	E566-G568 PolarHBondContact O-N 3.36Å; G568-S570 PolarHBondContact O-N 2.79Å; G568-S570 PolarHBondContact O-OG 2.77Å
569	I	92.4	Very high	94.9	Very high	56 Å²	56	55.2 Å²	55.2	29%	0.287	29%	0.288	S	S	.	.			trans	-71.2	99.6	-179.6	-61.7	170.9	0	0	0	109.3	R565 E566 E567 T587	R565-I569 HydrophobicContact CB-CB 4.11Å; R565-I569 HydrophobicContact CB-CG2 4.36Å; R565-I569 WeakPolarHBondContact CB-O 3.44Å; R565-I569 PolarHBondContact N-O 3.24Å; E566-I569 WeakPolarHBondContact O-CB 3.49Å; E566-I569 WeakPolarHBondContact O-CG1 3.37Å; E566-I569 PolarHBondContact O-N 2.97Å; E567-I569 PolarHBondContact O-N 2.93Å; I569-T587 VanDerWaalsContact CA-OG1 3.32Å; I569-T587 WeakPolarHBondContact CA-OG1 3.3Å; I569-T587 HydrophobicContact CG2-CG2 4.46Å
570	S	97.2	Very high	94.9	Very high	14 Å²	14	55.4 Å²	55.4	10%	0.098	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.6	-177.4	-58.1	0	0	0	0	111.8	V563 H564 G568 D586 T587	V563-S570 CarbonylContact O-C 3.55Å; V563-S570 VanDerWaalsContact O-CA 3.24Å; V563-S570 WeakPolarHBondContact O-CA 3.49Å; H564-S570 PolarHBondContact ND1-OG 3.21Å; G568-S570 PolarHBondContact O-N 2.79Å; G568-S570 PolarHBondContact O-OG 2.77Å; S570-D586 CarbonylContact O-C 3.3Å; S570-T587 PolarHBondContact N-OG1 3.33Å; S570-T587 WeakPolarHBondContact O-CA 3.07Å; S570-T587 PolarHBondContact O-N 3.2Å
571	T	98	Very high	94.9	Very high	18 Å²	18	54.5 Å²	54.5	11%	0.11	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.5	171.1	59	0	0	0	0	110.2	A562 V563 W584 K585	A562-T571 VanDerWaalsContact CA-O 3.25Å; A562-T571 WeakPolarHBondContact CA-O 3.33Å; V563-T571 PolarHBondContact N-O 3.08Å; V563-T571 PolarHBondContact O-N 2.95Å; T571-W584 HydrophobicContact CG2-CZ2 4.16Å; T571-K585 CarbonylContact C-O 3.54Å; T571-K585 VanDerWaalsContact CA-O 3.25Å; T571-K585 WeakPolarHBondContact CA-O 3.38Å; T571-K585 WeakPolarHBondContact CB-O 3.43Å
572	Y	98.5	Very high	95	Very high	106 Å²	106	53.7 Å²	53.7	42%	0.416	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141	-175.1	-56.3	-90.6	0	0	0	111.7	M561 A562 H564 W584 K585	M561-Y572 CarbonylContact O-C 3.57Å; M561-Y572 WeakPolarHBondContact O-CA 3.32Å; A562-Y572 HydrophobicContact CB-CD1 3.78Å; A562-Y572 HydrophobicContact CB-CE1 3.99Å; H564-Y572 AromaticContact CE1-CE1 3.95Å; Y572-W584 CarbonylContact O-C 3.59Å; Y572-W584 WeakPolarHBondContact O-CA 3.29Å; Y572-K585 HydrophobicContact CD2-CB 4.5Å; Y572-K585 PolarHBondContact N-O 2.94Å; Y572-K585 PolarHBondContact O-N 3.18Å
573	N	98.7	Very high	95	Very high	20 Å²	20	54 Å²	54	11%	0.107	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	150.9	178.6	-61.2	-15.6	0	0	0	109.9	M560 M561 Y575 L581 S583	M560-N573 VanDerWaalsContact O-CB 3.24Å; M560-N573 WeakPolarHBondContact O-CB 3.31Å; M560-N573 PolarHBondContact O-ND2 2.94Å; M561-N573 WeakPolarHBondContact CE-O 3.19Å; M561-N573 PolarHBondContact O-N 3.42Å; N573-Y575 HydrophobicContact CB-CE2 3.74Å; N573-Y575 PolarHBondContact ND2-OH 3.11Å; N573-L581 HydrophobicContact CB-CD1 3.73Å; N573-S583 CarbonylContact C-O 3.57Å; N573-S583 WeakPolarHBondContact CA-O 3.46Å
574	T	98.6	Very high	95	Very high	65 Å²	65	57.7 Å²	57.7	40%	0.399	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	135.2	170.1	-56.8	0	0	0	0	109.4	V582 S583	T574-V582 HydrophobicContact CG2-CG2 4.25Å; T574-V582 WeakPolarHBondContact O-CG2 3.38Å; T574-V582 PolarHBondContact O-N 3.05Å; T574-S583 PolarHBondContact N-O 2.99Å; T574-S583 PolarHBondContact O-N 2.77Å
575	Y	98.3	Very high	95	Very high	57 Å²	57	59.5 Å²	59.5	22%	0.224	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	146.6	-176.1	-58.3	-92	0	0	0	111.1	Q559 M560 M561 N573 Q580 L581	Q559-Y575 HydrophobicContact CB-CD2 3.86Å; Q559-Y575 HydrophobicContact CB-CE1 4.47Å; Q559-Y575 HydrophobicContact CB-CE2 3.69Å; Q559-Y575 HydrophobicContact CB-CG 4.34Å; M560-Y575 VanDerWaalsContact O-CE2 3.27Å; M560-Y575 WeakPolarHBondContact O-CE2 3.32Å; M560-Y575 PolarHBondContact O-OH 2.87Å; M560-Y575 VanDerWaalsContact O-OH 3.08Å; M561-Y575 HydrophobicContact SD-CD2 4.18Å; M561-Y575 HydrophobicContact SD-CE2 4.38Å; N573-Y575 HydrophobicContact CB-CE2 3.74Å; N573-Y575 PolarHBondContact ND2-OH 3.11Å; Y575-Q580 CarbonylContact C-O 3.58Å; Y575-Q580 VanDerWaalsContact CA-O 3.25Å; Y575-Q580 WeakPolarHBondContact CA-O 3.46Å; Y575-L581 HydrophobicContact CD1-CB 4.13Å; Y575-L581 HydrophobicContact CD1-CD1 4.4Å; Y575-L581 HydrophobicContact CE1-CB 3.94Å; Y575-L581 HydrophobicContact CE1-CD1 3.96Å
576	N	96	Very high	95.1	Very high	37 Å²	37	55 Å²	55	20%	0.198	29%	0.29	C	S	.	.			trans	-76.4	171.9	169.6	73.8	12.7	0	0	0	111.2	R578 G579 Q580 V582	N576-R578 PolarHBondContact O-N 2.89Å; N576-R578 WeakPolarHBondContact OD1-CA 3.3Å; N576-R578 WeakPolarHBondContact OD1-CB 3.48Å; N576-R578 PolarHBondContact OD1-N 2.85Å; N576-G579 PolarHBondContact O-N 2.82Å; N576-G579 PolarHBondContact OD1-N 3.32Å; N576-G579 VanDerWaalsContact OD1-N 3.13Å; N576-Q580 PolarHBondContact N-O 2.81Å; N576-Q580 PolarHBondContact ND2-OE1 3.41Å; N576-Q580 PolarHBondContact OD1-N 3.23Å; N576-V582 HydrophobicContact CB-CG1 3.75Å
577	P	93.3	Very high	95.4	Very high	94 Å²	94	55 Å²	55	61%	0.61	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.5	178.3	-28.2	37.4	0	0	0	115.3	R328 G579	R328-P577 WeakPolarHBondContact CG-O 3.21Å; R328-P577 PolarHBondContact NE-O 3.45Å; P577-G579 VanDerWaalsContact C-N 3.29Å
578	R	93.7	Very high	96	Very high	54 Å²	54	52.3 Å²	52.3	20%	0.204	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-6.5	173.8	-64.4	-177.6	72	-163.1	0.9	113.4	D327 S329 M333 N576 Q580 A598	D327-R578 WeakPolarHBondContact OD2-CG 3.21Å; D327-R578 IonicContact OD2-NE 3.11Å; D327-R578 PolarHBondContact OD2-NE 3.41Å; S329-R578 WeakPolarHBondContact OG-CG 3.44Å; M333-R578 PolarHBondContact SD-NH2 3.46Å; N576-R578 PolarHBondContact O-N 2.89Å; N576-R578 WeakPolarHBondContact OD1-CA 3.3Å; N576-R578 WeakPolarHBondContact OD1-CB 3.48Å; N576-R578 PolarHBondContact OD1-N 2.85Å; R578-Q580 HydrophobicContact CB-CG 4.2Å; R578-A598 PolarHBondContact NH1-O 3.36Å
579	G	94.4	Very high	96.6	Very high	25 Å²	25	52 Å²	52	26%	0.258	28%	0.279	S	S	.	.	S	Bend	trans	83	21.2	-176.9	0	0	0	0	0	114.5	Q559 N576 P577	Q559-G579 PolarHBondContact OE1-O 2.78Å; N576-G579 PolarHBondContact O-N 2.82Å; N576-G579 PolarHBondContact OD1-N 3.32Å; N576-G579 VanDerWaalsContact OD1-N 3.13Å; P577-G579 VanDerWaalsContact C-N 3.29Å
580	Q	97.2	Very high	96.8	Very high	33 Å²	33	54.4 Å²	54.4	15%	0.154	29%	0.285	C	S	.	.			trans	-93	134.8	175.7	-52.7	168.8	-67.6	0	0	109	Y575 N576 R578 V582 Y596 G600	Y575-Q580 CarbonylContact C-O 3.58Å; Y575-Q580 VanDerWaalsContact CA-O 3.25Å; Y575-Q580 WeakPolarHBondContact CA-O 3.46Å; N576-Q580 PolarHBondContact N-O 2.81Å; N576-Q580 PolarHBondContact ND2-OE1 3.41Å; N576-Q580 PolarHBondContact OD1-N 3.23Å; R578-Q580 HydrophobicContact CB-CG 4.2Å; Q580-V582 PolarHBondContact O-N 2.84Å; Q580-Y596 HydrophobicContact CB-CD2 3.93Å; Q580-Y596 HydrophobicContact CB-CE1 4.35Å; Q580-Y596 HydrophobicContact CB-CE2 3.65Å; Q580-Y596 HydrophobicContact CB-CG 4.4Å; Q580-G600 VanDerWaalsContact NE2-CA 3.31Å; Q580-G600 PolarHBondContact NE2-O 2.83Å
581	L	98.5	Very high	96.9	Very high	40 Å²	40	56.6 Å²	56.6	21%	0.209	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	118.5	178.5	179.4	70.9	0	0	0	109.2	N573 Y575 S583 Y594 Y596	N573-L581 HydrophobicContact CB-CD1 3.73Å; Y575-L581 HydrophobicContact CD1-CB 4.13Å; Y575-L581 HydrophobicContact CD1-CD1 4.4Å; Y575-L581 HydrophobicContact CE1-CB 3.94Å; Y575-L581 HydrophobicContact CE1-CD1 3.96Å; L581-S583 WeakPolarHBondContact CD1-O 3.45Å; L581-Y594 HydrophobicContact CD2-CD2 4.16Å; L581-Y594 HydrophobicContact CD2-CE2 3.78Å; L581-Y594 HydrophobicContact CG-CD2 4.09Å; L581-Y594 HydrophobicContact CG-CE2 4.15Å; L581-Y594 VanDerWaalsContact O-CB 3.26Å; L581-Y594 WeakPolarHBondContact O-CB 3.22Å; L581-Y596 WeakPolarHBondContact O-CE2 3.24Å; L581-Y596 PolarHBondContact O-OH 2.95Å
582	V	98.5	Very high	96.9	Very high	43 Å²	43	56.4 Å²	56.4	26%	0.261	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-20	179.7	-70.3	0	0	0	0	113.5	T574 N576 Q580 Q593 Y594 Y596	T574-V582 HydrophobicContact CG2-CG2 4.25Å; T574-V582 WeakPolarHBondContact O-CG2 3.38Å; T574-V582 PolarHBondContact O-N 3.05Å; N576-V582 HydrophobicContact CB-CG1 3.75Å; Q580-V582 PolarHBondContact O-N 2.84Å; V582-Q593 WeakPolarHBondContact O-CA 3.33Å; V582-Y594 PolarHBondContact O-N 2.87Å; V582-Y596 HydrophobicContact CG1-CE2 4.47Å
583	S	98.7	Very high	96.9	Very high	8 Å²	8	55.4 Å²	55.4	6%	0.056	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	136.9	175.8	146.4	0	0	0	0	110.5	N573 T574 L581 E591 T592	N573-S583 CarbonylContact C-O 3.57Å; N573-S583 WeakPolarHBondContact CA-O 3.46Å; T574-S583 PolarHBondContact N-O 2.99Å; T574-S583 PolarHBondContact O-N 2.77Å; L581-S583 WeakPolarHBondContact CD1-O 3.45Å; S583-E591 PolarHBondContact OG-OE1 3.08Å; S583-T592 WeakPolarHBondContact CA-O 3.42Å
584	W	98.7	Very high	96.9	Very high	86 Å²	86	57 Å²	57	33%	0.326	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.9	169.2	175.5	82.8	0	0	0	109.1	T571 Y572 D586 E591 T592 Y594	T571-W584 HydrophobicContact CG2-CZ2 4.16Å; Y572-W584 CarbonylContact O-C 3.59Å; Y572-W584 WeakPolarHBondContact O-CA 3.29Å; W584-D586 HydrophobicContact CH2-CB 3.56Å; W584-D586 HydrophobicContact CZ2-CB 4.15Å; W584-D586 HydrophobicContact CZ3-CB 3.85Å; W584-E591 CarbonylContact O-C 3.55Å; W584-E591 WeakPolarHBondContact O-CA 3.45Å; W584-T592 PolarHBondContact N-O 3.1Å; W584-T592 PolarHBondContact O-N 2.58Å; W584-Y594 HydrophobicContact CB-CE2 3.96Å
585	K	98.6	Very high	96.9	Very high	78 Å²	78	57.4 Å²	57.4	34%	0.339	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.1	176.7	-65.4	-178	177	-175.4	0	110.1	T571 Y572 R590 E591	T571-K585 CarbonylContact C-O 3.54Å; T571-K585 VanDerWaalsContact CA-O 3.25Å; T571-K585 WeakPolarHBondContact CA-O 3.38Å; T571-K585 WeakPolarHBondContact CB-O 3.43Å; Y572-K585 HydrophobicContact CD2-CB 4.5Å; Y572-K585 PolarHBondContact N-O 2.94Å; Y572-K585 PolarHBondContact O-N 3.18Å; K585-R590 WeakPolarHBondContact CA-O 3.37Å; K585-E591 WeakPolarHBondContact CE-OE2 3.28Å; K585-E591 HydrophobicContact CG-CB 4.04Å; K585-E591 HydrophobicContact CG-CG 4Å; K585-E591 IonicContact NZ-OE2 3.92Å; K585-E591 PolarHBondContact NZ-OE2 3.39Å
586	D	96.2	Very high	96.9	Very high	15 Å²	15	57.9 Å²	57.9	8%	0.08	30%	0.295	C	S	.	.			trans	-78.1	-178.7	172.5	78.4	3.9	0	0	0	112.2	S570 W584 Q588 G589 R590	S570-D586 CarbonylContact O-C 3.3Å; W584-D586 HydrophobicContact CH2-CB 3.56Å; W584-D586 HydrophobicContact CZ2-CB 4.15Å; W584-D586 HydrophobicContact CZ3-CB 3.85Å; D586-Q588 PolarHBondContact O-N 3.49Å; D586-Q588 WeakPolarHBondContact OD1-CA 3.17Å; D586-Q588 WeakPolarHBondContact OD1-CB 3.16Å; D586-Q588 PolarHBondContact OD1-N 2.81Å; D586-G589 PolarHBondContact O-N 2.76Å; D586-G589 PolarHBondContact OD1-N 2.8Å; D586-G589 VanDerWaalsContact OD1-N 3.12Å; D586-R590 PolarHBondContact N-O 3.06Å; D586-R590 WeakPolarHBondContact OD1-CB 3.2Å; D586-R590 PolarHBondContact OD1-N 2.99Å; D586-R590 IonicContact OD1-NE 2.68Å; D586-R590 IonicContact OD2-CZ 2.73Å; D586-R590 IonicContact OD2-NE 2.68Å; D586-R590 PolarHBondContact OD2-NE 3Å; D586-R590 IonicContact OD2-NH2 2.74Å; D586-R590 PolarHBondContact OD2-NH2 2.8Å
587	T	95.1	Very high	96.9	Very high	69 Å²	69	58.5 Å²	58.5	42%	0.423	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.5	-179.4	-166.3	0	0	0	0	115.3	I569 S570 G589	I569-T587 VanDerWaalsContact CA-OG1 3.32Å; I569-T587 WeakPolarHBondContact CA-OG1 3.3Å; I569-T587 HydrophobicContact CG2-CG2 4.46Å; S570-T587 PolarHBondContact N-OG1 3.33Å; S570-T587 WeakPolarHBondContact O-CA 3.07Å; S570-T587 PolarHBondContact O-N 3.2Å; T587-G589 VanDerWaalsContact C-N 3.31Å
588	Q	94.5	Very high	96.8	Very high	122 Å²	122	57.6 Å²	57.6	57%	0.57	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	1.5	176	-61.1	176.6	13.1	0	0	111.1	D586 R590	D586-Q588 PolarHBondContact O-N 3.49Å; D586-Q588 WeakPolarHBondContact OD1-CA 3.17Å; D586-Q588 WeakPolarHBondContact OD1-CB 3.16Å; D586-Q588 PolarHBondContact OD1-N 2.81Å; Q588-R590 VanDerWaalsContact C-N 3.27Å; Q588-R590 HydrophobicContact CB-CG 4.1Å
589	G	93.5	Very high	96.9	Very high	51 Å²	51	56 Å²	56	53%	0.526	30%	0.298	S	S	.	.			trans	77.2	10.2	-175.2	0	0	0	0	0	113.7	D586 T587 E591	D586-G589 PolarHBondContact O-N 2.76Å; D586-G589 PolarHBondContact OD1-N 2.8Å; D586-G589 VanDerWaalsContact OD1-N 3.12Å; T587-G589 VanDerWaalsContact C-N 3.31Å; G589-E591 PolarHBondContact O-N 3.03Å
590	R	97.3	Very high	96.9	Very high	108 Å²	108	56 Å²	56	41%	0.408	30%	0.297	S	S	.	.			trans	-73	124.5	177.3	-60.3	-177.4	-59.2	177.7	1.8	108.8	K585 D586 Q588 P608	K585-R590 WeakPolarHBondContact CA-O 3.37Å; D586-R590 PolarHBondContact N-O 3.06Å; D586-R590 WeakPolarHBondContact OD1-CB 3.2Å; D586-R590 PolarHBondContact OD1-N 2.99Å; D586-R590 IonicContact OD1-NE 2.68Å; D586-R590 IonicContact OD2-CZ 2.73Å; D586-R590 IonicContact OD2-NE 2.68Å; D586-R590 PolarHBondContact OD2-NE 3Å; D586-R590 IonicContact OD2-NH2 2.74Å; D586-R590 PolarHBondContact OD2-NH2 2.8Å; Q588-R590 VanDerWaalsContact C-N 3.27Å; Q588-R590 HydrophobicContact CB-CG 4.1Å; R590-P608 HydrophobicContact CB-CB 3.71Å; R590-P608 HydrophobicContact CB-CG 3.67Å; R590-P608 HydrophobicContact CG-CB 4.44Å
591	E	98.4	Very high	97	Very high	59 Å²	59	55.4 Å²	55.4	28%	0.276	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129	-171	-170.3	176.8	152.6	0	0	111.6	S583 W584 K585 G589 Q593 P608	S583-E591 PolarHBondContact OG-OE1 3.08Å; W584-E591 CarbonylContact O-C 3.55Å; W584-E591 WeakPolarHBondContact O-CA 3.45Å; K585-E591 WeakPolarHBondContact CE-OE2 3.28Å; K585-E591 HydrophobicContact CG-CB 4.04Å; K585-E591 HydrophobicContact CG-CG 4Å; K585-E591 IonicContact NZ-OE2 3.92Å; K585-E591 PolarHBondContact NZ-OE2 3.39Å; G589-E591 PolarHBondContact O-N 3.03Å; E591-Q593 HydrophobicContact CG-CG 4.06Å; E591-Q593 WeakPolarHBondContact OE1-CG 3.37Å; E591-Q593 PolarHBondContact OE1-NE2 3.3Å; E591-P608 VanDerWaalsContact O-CA 3.3Å; E591-P608 WeakPolarHBondContact O-CA 3.33Å; E591-P608 WeakPolarHBondContact O-CG 3.39Å
592	T	98.7	Very high	97	Very high	15 Å²	15	56 Å²	56	9%	0.092	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.1	165.4	-55.6	0	0	0	0	108.6	S583 W584 Y594 V605 I606	S583-T592 WeakPolarHBondContact CA-O 3.42Å; W584-T592 PolarHBondContact N-O 3.1Å; W584-T592 PolarHBondContact O-N 2.58Å; T592-Y594 HydrophobicContact CG2-CE1 4.32Å; T592-Y594 HydrophobicContact CG2-CE2 4.1Å; T592-V605 HydrophobicContact CG2-CG1 3.84Å; T592-I606 CarbonylContact C-O 3.56Å; T592-I606 VanDerWaalsContact CA-O 3.26Å; T592-I606 WeakPolarHBondContact CA-O 3.44Å; T592-I606 WeakPolarHBondContact CG2-O 3.25Å
593	Q	98.8	Very high	97	Very high	84 Å²	84	55.7 Å²	55.7	39%	0.393	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	150.9	-179.2	-60.3	179.8	-26.5	0	0	111.5	V582 E591 V605 I606	V582-Q593 WeakPolarHBondContact O-CA 3.33Å; E591-Q593 HydrophobicContact CG-CG 4.06Å; E591-Q593 WeakPolarHBondContact OE1-CG 3.37Å; E591-Q593 PolarHBondContact OE1-NE2 3.3Å; Q593-V605 WeakPolarHBondContact O-CA 3.36Å; Q593-I606 HydrophobicContact CB-CB 4.19Å; Q593-I606 HydrophobicContact CB-CD1 4.27Å; Q593-I606 PolarHBondContact N-O 2.84Å; Q593-I606 PolarHBondContact O-N 2.68Å
594	Y	98.8	Very high	96.9	Very high	54 Å²	54	55.4 Å²	55.4	21%	0.212	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133.4	-177.2	-56.4	-90.1	0	0	0	109.9	L581 V582 W584 T592 L602 A604 V605	L581-Y594 HydrophobicContact CD2-CD2 4.16Å; L581-Y594 HydrophobicContact CD2-CE2 3.78Å; L581-Y594 HydrophobicContact CG-CD2 4.09Å; L581-Y594 HydrophobicContact CG-CE2 4.15Å; L581-Y594 VanDerWaalsContact O-CB 3.26Å; L581-Y594 WeakPolarHBondContact O-CB 3.22Å; V582-Y594 PolarHBondContact O-N 2.87Å; W584-Y594 HydrophobicContact CB-CE2 3.96Å; T592-Y594 HydrophobicContact CG2-CE1 4.32Å; T592-Y594 HydrophobicContact CG2-CE2 4.1Å; Y594-L602 HydrophobicContact CD1-CD1 3.9Å; Y594-L602 HydrophobicContact CD1-CD2 4.44Å; Y594-L602 HydrophobicContact CG-CD1 4.32Å; Y594-A604 WeakPolarHBondContact CA-O 3.33Å; Y594-V605 HydrophobicContact CD1-CG1 4.39Å; Y594-V605 HydrophobicContact CD1-CG2 4.04Å; Y594-V605 HydrophobicContact CE1-CG1 4.13Å; Y594-V605 HydrophobicContact CE1-CG2 4.26Å
595	E	98.6	Very high	96.9	Very high	74 Å²	74	53.3 Å²	53.3	35%	0.346	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	146.1	178.9	-63.6	176.1	-173.5	0	0	111.1	L602 T603 A604 R612	E595-L602 CarbonylContact O-C 3.54Å; E595-L602 WeakPolarHBondContact O-CA 3.38Å; E595-L602 WeakPolarHBondContact O-CD1 3.38Å; E595-T603 PolarHBondContact O-N 2.92Å; E595-T603 PolarHBondContact O-OG1 2.83Å; E595-A604 HydrophobicContact CB-CB 4.05Å; E595-A604 HydrophobicContact CG-CB 4.33Å; E595-A604 PolarHBondContact N-O 3.31Å; E595-A604 PolarHBondContact O-N 2.88Å; E595-R612 IonicContact OE1-CZ 2.76Å; E595-R612 IonicContact OE1-NH1 2.78Å; E595-R612 PolarHBondContact OE1-NH1 3.42Å; E595-R612 IonicContact OE1-NH2 3.44Å; E595-R612 IonicContact OE2-CZ 3.22Å; E595-R612 IonicContact OE2-NH1 2.82Å; E595-R612 PolarHBondContact OE2-NH1 3.27Å; E595-R612 VanDerWaalsContact OE2-NH1 3.16Å; E595-R612 IonicContact OE2-NH2 3.75Å; E595-R612 PolarHBondContact OE2-NH2 3.26Å
596	Y	98.3	Very high	96.9	Very high	66 Å²	66	51 Å²	51	26%	0.259	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148.1	-177.6	-57.5	-94.3	0	0	0	111.9	Q580 L581 V582 G600 D601 L602	Q580-Y596 HydrophobicContact CB-CD2 3.93Å; Q580-Y596 HydrophobicContact CB-CE1 4.35Å; Q580-Y596 HydrophobicContact CB-CE2 3.65Å; Q580-Y596 HydrophobicContact CB-CG 4.4Å; L581-Y596 WeakPolarHBondContact O-CE2 3.24Å; L581-Y596 PolarHBondContact O-OH 2.95Å; V582-Y596 HydrophobicContact CG1-CE2 4.47Å; Y596-G600 WeakPolarHBondContact CD1-O 3.28Å; Y596-D601 CarbonylContact C-O 3.54Å; Y596-D601 WeakPolarHBondContact CA-O 3.34Å; Y596-L602 HydrophobicContact CD1-CB 4.14Å; Y596-L602 HydrophobicContact CD1-CD1 4.3Å; Y596-L602 HydrophobicContact CE1-CB 3.91Å; Y596-L602 HydrophobicContact CE1-CD1 3.79Å; Y596-L602 HydrophobicContact CE1-CG 4.46Å; Y596-L602 HydrophobicContact CE2-CD1 4.32Å
597	N	95.6	Very high	97	Very high	50 Å²	50	52.5 Å²	52.5	27%	0.267	29%	0.292	S	S	.	.			trans	-78.4	176.9	168.7	72.3	18.2	0	0	0	111.9	A599 G600 D601 T603	N597-A599 VanDerWaalsContact C-N 3.28Å; N597-A599 PolarHBondContact O-N 3.34Å; N597-A599 WeakPolarHBondContact OD1-CA 3.48Å; N597-A599 WeakPolarHBondContact OD1-CB 3.08Å; N597-A599 PolarHBondContact OD1-N 2.86Å; N597-G600 PolarHBondContact O-N 2.84Å; N597-G600 PolarHBondContact OD1-N 2.85Å; N597-D601 PolarHBondContact N-O 2.75Å; N597-D601 WeakPolarHBondContact ND2-CB 3.09Å; N597-D601 PolarHBondContact ND2-OD2 3.33Å; N597-D601 PolarHBondContact OD1-N 3.31Å; N597-T603 HydrophobicContact CB-CG2 3.73Å
598	A	91	Very high	97.2	Very high	76 Å²	76	52.4 Å²	52.4	63%	0.628	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-33	178.2	0	0	0	0	0	113.7	R578 G600	R578-A598 PolarHBondContact NH1-O 3.36Å; A598-G600 PolarHBondContact O-N 2.96Å
599	A	95.2	Very high	97.2	Very high	21 Å²	21	52 Å²	52	17%	0.174	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.3	175.9	0	0	0	0	0	112.7	A352 N597	A352-A599 WeakPolarHBondContact O-CA 3.17Å; A352-A599 WeakPolarHBondContact O-CB 3.42Å; N597-A599 VanDerWaalsContact C-N 3.28Å; N597-A599 PolarHBondContact O-N 3.34Å; N597-A599 WeakPolarHBondContact OD1-CA 3.48Å; N597-A599 WeakPolarHBondContact OD1-CB 3.08Å; N597-A599 PolarHBondContact OD1-N 2.86Å
600	G	95.8	Very high	97.2	Very high	23 Å²	23	52 Å²	52	24%	0.237	29%	0.294	C	S	.	.			trans	99.1	11.8	-178.5	0	0	0	0	0	114.3	Q580 Y596 N597 A598	Q580-G600 VanDerWaalsContact NE2-CA 3.31Å; Q580-G600 PolarHBondContact NE2-O 2.83Å; Y596-G600 WeakPolarHBondContact CD1-O 3.28Å; N597-G600 PolarHBondContact O-N 2.84Å; N597-G600 PolarHBondContact OD1-N 2.85Å; A598-G600 PolarHBondContact O-N 2.96Å
601	D	97.7	Very high	97.1	Very high	22 Å²	22	51 Å²	51	12%	0.118	30%	0.297	C	S	.	.			trans	-76.7	141.4	174.9	-51.3	-49.7	0	0	0	110.9	R354 Y596 N597 T603 Y617	R354-D601 IonicContact CZ-OD1 3.94Å; R354-D601 IonicContact CZ-OD2 3.38Å; R354-D601 VanDerWaalsContact CZ-OD2 3.28Å; R354-D601 IonicContact NH1-OD2 2.71Å; R354-D601 PolarHBondContact NH1-OD2 2.96Å; R354-D601 IonicContact NH2-OD1 3.69Å; R354-D601 PolarHBondContact NH2-OD1 2.87Å; R354-D601 IonicContact NH2-OD2 3.79Å; R354-D601 PolarHBondContact NH2-OD2 2.72Å; Y596-D601 CarbonylContact C-O 3.54Å; Y596-D601 WeakPolarHBondContact CA-O 3.34Å; N597-D601 PolarHBondContact N-O 2.75Å; N597-D601 WeakPolarHBondContact ND2-CB 3.09Å; N597-D601 PolarHBondContact ND2-OD2 3.33Å; N597-D601 PolarHBondContact OD1-N 3.31Å; D601-T603 PolarHBondContact O-N 2.88Å; D601-Y617 HydrophobicContact CB-CD1 4.14Å; D601-Y617 HydrophobicContact CB-CD2 3.54Å; D601-Y617 HydrophobicContact CB-CE1 4.14Å; D601-Y617 HydrophobicContact CB-CE2 3.55Å; D601-Y617 HydrophobicContact CB-CG 3.85Å
602	L	98.3	Very high	97.1	Very high	53 Å²	53	52.4 Å²	52.4	28%	0.277	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	102.4	178.5	178.4	69.9	0	0	0	110.5	Y594 E595 Y596 V605 Y617	Y594-L602 HydrophobicContact CD1-CD1 3.9Å; Y594-L602 HydrophobicContact CD1-CD2 4.44Å; Y594-L602 HydrophobicContact CG-CD1 4.32Å; E595-L602 CarbonylContact O-C 3.54Å; E595-L602 WeakPolarHBondContact O-CA 3.38Å; E595-L602 WeakPolarHBondContact O-CD1 3.38Å; Y596-L602 HydrophobicContact CD1-CB 4.14Å; Y596-L602 HydrophobicContact CD1-CD1 4.3Å; Y596-L602 HydrophobicContact CE1-CB 3.91Å; Y596-L602 HydrophobicContact CE1-CD1 3.79Å; Y596-L602 HydrophobicContact CE1-CG 4.46Å; Y596-L602 HydrophobicContact CE2-CD1 4.32Å; L602-V605 HydrophobicContact CD1-CG2 4.45Å; L602-V605 HydrophobicContact CD2-CG2 3.81Å; L602-V605 HydrophobicContact CG-CG2 4.31Å; L602-Y617 VanDerWaalsContact O-CE2 3.25Å; L602-Y617 WeakPolarHBondContact O-CE2 3.2Å; L602-Y617 PolarHBondContact O-OH 2.9Å
603	T	98.4	Very high	97	Very high	36 Å²	36	52.9 Å²	52.9	22%	0.221	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-25.4	-175.6	50.6	0	0	0	0	114	E595 N597 D601 E614 T615	E595-T603 PolarHBondContact O-N 2.92Å; E595-T603 PolarHBondContact O-OG1 2.83Å; N597-T603 HydrophobicContact CB-CG2 3.73Å; D601-T603 PolarHBondContact O-N 2.88Å; T603-E614 CarbonylContact O-C 3.48Å; T603-E614 VanDerWaalsContact O-CA 3.24Å; T603-E614 WeakPolarHBondContact O-CA 3.27Å; T603-T615 PolarHBondContact O-N 3.32Å
604	A	98.5	Very high	97	Very high	1 Å²	1	53 Å²	53	1%	0.008	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	146.3	176.7	0	0	0	0	0	113.3	Y594 E595 R612 S613 E614	Y594-A604 WeakPolarHBondContact CA-O 3.33Å; E595-A604 HydrophobicContact CB-CB 4.05Å; E595-A604 HydrophobicContact CG-CB 4.33Å; E595-A604 PolarHBondContact N-O 3.31Å; E595-A604 PolarHBondContact O-N 2.88Å; A604-R612 VanDerWaalsContact CB-CZ 3.46Å; A604-S613 CarbonylContact C-O 3.59Å; A604-S613 VanDerWaalsContact CA-O 3.23Å; A604-S613 WeakPolarHBondContact CA-O 3.41Å; A604-E614 HydrophobicContact CB-CG 4.42Å
605	V	98.7	Very high	97	Very high	43 Å²	43	51.5 Å²	51.5	26%	0.261	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.6	165.6	-177	0	0	0	0	107.8	T592 Q593 Y594 L602 R612 S613	T592-V605 HydrophobicContact CG2-CG1 3.84Å; Q593-V605 WeakPolarHBondContact O-CA 3.36Å; Y594-V605 HydrophobicContact CD1-CG1 4.39Å; Y594-V605 HydrophobicContact CD1-CG2 4.04Å; Y594-V605 HydrophobicContact CE1-CG1 4.13Å; Y594-V605 HydrophobicContact CE1-CG2 4.26Å; L602-V605 HydrophobicContact CD1-CG2 4.45Å; L602-V605 HydrophobicContact CD2-CG2 3.81Å; L602-V605 HydrophobicContact CG-CG2 4.31Å; V605-R612 WeakPolarHBondContact O-CA 3.44Å; V605-S613 PolarHBondContact N-O 2.69Å; V605-S613 PolarHBondContact O-N 3.47Å
606	I	98.5	Very high	97	Very high	29 Å²	29	53.2 Å²	53.2	15%	0.149	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.8	179.5	-46.9	171.6	0	0	0	107.6	T592 Q593 N611 R612	T592-I606 CarbonylContact C-O 3.56Å; T592-I606 VanDerWaalsContact CA-O 3.26Å; T592-I606 WeakPolarHBondContact CA-O 3.44Å; T592-I606 WeakPolarHBondContact CG2-O 3.25Å; Q593-I606 HydrophobicContact CB-CB 4.19Å; Q593-I606 HydrophobicContact CB-CD1 4.27Å; Q593-I606 PolarHBondContact N-O 2.84Å; Q593-I606 PolarHBondContact O-N 2.68Å; I606-N611 WeakPolarHBondContact CA-O 3.31Å; I606-R612 HydrophobicContact CG1-CG 4.36Å
607	T	97.8	Very high	96.9	Very high	46 Å²	46	53.2 Å²	53.2	28%	0.282	31%	0.312	S	S	.	.			trans	-79.8	165.9	178.9	48.9	0	0	0	0	111.4	D609 G610 N611	T607-D609 VanDerWaalsContact CB-OD1 3.27Å; T607-D609 WeakPolarHBondContact CB-OD1 3.25Å; T607-D609 PolarHBondContact O-N 3.5Å; T607-D609 VanDerWaalsContact O-N 3.13Å; T607-D609 PolarHBondContact OG1-OD1 3.2Å; T607-G610 WeakPolarHBondContact O-CA 3.4Å; T607-G610 PolarHBondContact O-N 3.26Å; T607-N611 PolarHBondContact N-O 2.82Å; T607-N611 VanDerWaalsContact OG1-CB 3.28Å; T607-N611 WeakPolarHBondContact OG1-CB 3.49Å; T607-N611 PolarHBondContact OG1-N 2.99Å; T607-N611 PolarHBondContact OG1-O 2.81Å
608	P	97.9	Very high	96.9	Very high	68 Å²	68	52.6 Å²	52.6	44%	0.442	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.9	-174.8	-23.2	31.6	0	0	0	115.5	R590 E591	R590-P608 HydrophobicContact CB-CB 3.71Å; R590-P608 HydrophobicContact CB-CG 3.67Å; R590-P608 HydrophobicContact CG-CB 4.44Å; E591-P608 VanDerWaalsContact O-CA 3.3Å; E591-P608 WeakPolarHBondContact O-CA 3.33Å; E591-P608 WeakPolarHBondContact O-CG 3.39Å
609	D	95.4	Very high	96.9	Very high	112 Å²	112	51.5 Å²	51.5	60%	0.599	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	2.7	174.4	59	-6.3	0	0	0	113.1	T607 N611	T607-D609 VanDerWaalsContact CB-OD1 3.27Å; T607-D609 WeakPolarHBondContact CB-OD1 3.25Å; T607-D609 PolarHBondContact O-N 3.5Å; T607-D609 VanDerWaalsContact O-N 3.13Å; T607-D609 PolarHBondContact OG1-OD1 3.2Å; D609-N611 VanDerWaalsContact C-N 3.32Å; D609-N611 PolarHBondContact OD1-N 3.31Å; D609-N611 PolarHBondContact OD1-ND2 3.38Å; D609-N611 PolarHBondContact OD2-ND2 3.27Å
610	G	93.6	Very high	96.6	Very high	51 Å²	51	53.5 Å²	53.5	53%	0.526	30%	0.302	S	S	.	.			trans	83.2	3.1	-179.2	0	0	0	0	0	114.2	T607 R612	T607-G610 WeakPolarHBondContact O-CA 3.4Å; T607-G610 PolarHBondContact O-N 3.26Å; G610-R612 PolarHBondContact O-N 2.9Å
611	N	95.8	Very high	96.5	Very high	88 Å²	88	53.4 Å²	53.4	47%	0.471	30%	0.301	S	S	.	.			trans	-67.4	129.8	175.5	-71.9	-43.8	0	0	0	110.3	I606 T607 D609	I606-N611 WeakPolarHBondContact CA-O 3.31Å; T607-N611 PolarHBondContact N-O 2.82Å; T607-N611 VanDerWaalsContact OG1-CB 3.28Å; T607-N611 WeakPolarHBondContact OG1-CB 3.49Å; T607-N611 PolarHBondContact OG1-N 2.99Å; T607-N611 PolarHBondContact OG1-O 2.81Å; D609-N611 VanDerWaalsContact C-N 3.32Å; D609-N611 PolarHBondContact OD1-N 3.31Å; D609-N611 PolarHBondContact OD1-ND2 3.38Å; D609-N611 PolarHBondContact OD2-ND2 3.27Å
612	R	97.4	Very high	96.4	Very high	89 Å²	89	54.6 Å²	54.6	34%	0.336	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.1	-175.7	-173.6	175	174.9	87.9	2.6	110	E595 A604 V605 I606 G610 E614	E595-R612 IonicContact OE1-CZ 2.76Å; E595-R612 IonicContact OE1-NH1 2.78Å; E595-R612 PolarHBondContact OE1-NH1 3.42Å; E595-R612 IonicContact OE1-NH2 3.44Å; E595-R612 IonicContact OE2-CZ 3.22Å; E595-R612 IonicContact OE2-NH1 2.82Å; E595-R612 PolarHBondContact OE2-NH1 3.27Å; E595-R612 VanDerWaalsContact OE2-NH1 3.16Å; E595-R612 IonicContact OE2-NH2 3.75Å; E595-R612 PolarHBondContact OE2-NH2 3.26Å; A604-R612 VanDerWaalsContact CB-CZ 3.46Å; V605-R612 WeakPolarHBondContact O-CA 3.44Å; I606-R612 HydrophobicContact CG1-CG 4.36Å; G610-R612 PolarHBondContact O-N 2.9Å; R612-E614 HydrophobicContact CG-CG 3.95Å; R612-E614 IonicContact CZ-OE1 3.79Å; R612-E614 VanDerWaalsContact CZ-OE1 3.29Å; R612-E614 IonicContact NE-OE1 2.69Å; R612-E614 PolarHBondContact NE-OE1 3.03Å; R612-E614 IonicContact NH2-OE1 3.31Å; R612-E614 PolarHBondContact NH2-OE1 2.85Å
613	S	97.9	Very high	96.3	Very high	24 Å²	24	53.3 Å²	53.3	17%	0.168	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.9	171	-175.8	0	0	0	0	108.5	A604 V605 T627	A604-S613 CarbonylContact C-O 3.59Å; A604-S613 VanDerWaalsContact CA-O 3.23Å; A604-S613 WeakPolarHBondContact CA-O 3.41Å; V605-S613 PolarHBondContact N-O 2.69Å; V605-S613 PolarHBondContact O-N 3.47Å; S613-T627 CarbonylContact C-O 3.51Å; S613-T627 WeakPolarHBondContact CA-O 3.47Å
614	E	98.5	Very high	96.2	Very high	87 Å²	87	53.6 Å²	53.6	41%	0.407	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.3	-177.1	-61.6	-170	136.8	0	0	111	T603 A604 R612 T626 T627	T603-E614 CarbonylContact O-C 3.48Å; T603-E614 VanDerWaalsContact O-CA 3.24Å; T603-E614 WeakPolarHBondContact O-CA 3.27Å; A604-E614 HydrophobicContact CB-CG 4.42Å; R612-E614 HydrophobicContact CG-CG 3.95Å; R612-E614 IonicContact CZ-OE1 3.79Å; R612-E614 VanDerWaalsContact CZ-OE1 3.29Å; R612-E614 IonicContact NE-OE1 2.69Å; R612-E614 PolarHBondContact NE-OE1 3.03Å; R612-E614 IonicContact NH2-OE1 3.31Å; R612-E614 PolarHBondContact NH2-OE1 2.85Å; E614-T626 CarbonylContact O-C 3.54Å; E614-T626 WeakPolarHBondContact O-CA 3.32Å; E614-T627 PolarHBondContact N-O 3.03Å; E614-T627 PolarHBondContact O-N 2.81Å
615	T	98.6	Very high	96.2	Very high	22 Å²	22	54.4 Å²	54.4	14%	0.135	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.5	175.1	-61.2	0	0	0	0	111	T603 Y617 A623 S625 T626	T603-T615 PolarHBondContact O-N 3.32Å; T615-Y617 HydrophobicContact CG2-CD2 4.32Å; T615-Y617 HydrophobicContact CG2-CE1 4.18Å; T615-Y617 HydrophobicContact CG2-CE2 3.69Å; T615-A623 HydrophobicContact CG2-CB 3.76Å; T615-S625 CarbonylContact C-O 3.58Å; T615-S625 VanDerWaalsContact CA-O 3.25Å; T615-S625 WeakPolarHBondContact CA-O 3.25Å; T615-T626 PolarHBondContact OG1-OG1 2.77Å; T615-T626 VanDerWaalsContact OG1-OG1 3.12Å
616	L	98.1	Very high	96.2	Very high	111 Å²	111	54.3 Å²	54.3	58%	0.581	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	147	172.4	-61	179.8	0	0	0	109.9	A623 V624 S625	L616-A623 CarbonylContact O-C 3.53Å; L616-A623 WeakPolarHBondContact O-CA 3.41Å; L616-V624 HydrophobicContact CB-CG2 3.91Å; L616-V624 WeakPolarHBondContact O-CG2 3.29Å; L616-V624 PolarHBondContact O-N 3.01Å; L616-S625 PolarHBondContact N-O 2.88Å; L616-S625 PolarHBondContact O-N 2.99Å
617	Y	97.1	Very high	96.1	Very high	66 Å²	66	55 Å²	55	26%	0.259	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.8	-177.7	-63.5	-92.9	0	0	0	110.8	D601 L602 T615 G621 K622 A623	D601-Y617 HydrophobicContact CB-CD1 4.14Å; D601-Y617 HydrophobicContact CB-CD2 3.54Å; D601-Y617 HydrophobicContact CB-CE1 4.14Å; D601-Y617 HydrophobicContact CB-CE2 3.55Å; D601-Y617 HydrophobicContact CB-CG 3.85Å; L602-Y617 VanDerWaalsContact O-CE2 3.25Å; L602-Y617 WeakPolarHBondContact O-CE2 3.2Å; L602-Y617 PolarHBondContact O-OH 2.9Å; T615-Y617 HydrophobicContact CG2-CD2 4.32Å; T615-Y617 HydrophobicContact CG2-CE1 4.18Å; T615-Y617 HydrophobicContact CG2-CE2 3.69Å; Y617-G621 WeakPolarHBondContact CD1-O 3.15Å; Y617-K622 CarbonylContact C-O 3.51Å; Y617-K622 VanDerWaalsContact CA-O 3.24Å; Y617-K622 WeakPolarHBondContact CA-O 3.32Å; Y617-A623 HydrophobicContact CD1-CB 4.24Å; Y617-A623 HydrophobicContact CE1-CB 4.05Å
618	D	94.2	Very high	96	Very high	37 Å²	37	58.1 Å²	58.1	20%	0.198	33%	0.326	C	S	.	.			trans	-69.9	177.4	166.7	77.5	2.1	0	0	0	111.4	W620 G621 K622 V624	D618-W620 PolarHBondContact O-N 2.83Å; D618-W620 WeakPolarHBondContact OD1-CA 3.24Å; D618-W620 PolarHBondContact OD1-N 3.11Å; D618-G621 PolarHBondContact O-N 2.89Å; D618-G621 VanDerWaalsContact O-N 3.1Å; D618-G621 PolarHBondContact OD1-N 3.05Å; D618-K622 PolarHBondContact N-O 2.91Å; D618-K622 PolarHBondContact OD1-N 3.18Å; D618-K622 IonicContact OD1-NZ 2.95Å; D618-K622 WeakPolarHBondContact OD2-CE 3.13Å; D618-K622 IonicContact OD2-NZ 3.26Å; D618-K622 PolarHBondContact OD2-NZ 2.87Å; D618-V624 HydrophobicContact CB-CG1 3.74Å
619	A	90.9	Very high	95.7	Very high	52 Å²	52	58.4 Å²	58.4	43%	0.43	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-17	-179.3	0	0	0	0	0	114	R354 P355	R354-A619 WeakPolarHBondContact CD-O 3.38Å; P355-A619 WeakPolarHBondContact CD-O 3.14Å; P355-A619 HydrophobicContact CG-CB 3.66Å
620	W	90.4	Very high	95.5	Very high	64 Å²	64	56.3 Å²	56.3	24%	0.242	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-4.3	178.8	-75.2	115.2	0	0	0	114.4	R354 P355 M357 P373 A374 D618	R354-W620 HydrophobicContact CB-CZ3 4.33Å; P355-W620 HydrophobicContact CB-CH2 4.37Å; P355-W620 HydrophobicContact CB-CZ2 4.1Å; P355-W620 HydrophobicContact CG-CZ2 4.3Å; M357-W620 HydrophobicContact CE-CH2 3.96Å; M357-W620 HydrophobicContact CE-CZ3 4.08Å; M357-W620 HydrophobicContact CG-CH2 3.81Å; M357-W620 HydrophobicContact SD-CH2 4.04Å; M357-W620 HydrophobicContact SD-CZ3 4.45Å; P373-W620 WeakPolarHBondContact O-CZ2 3.19Å; P373-W620 PolarHBondContact O-NE1 3.01Å; A374-W620 PolarHBondContact O-NE1 3.35Å; D618-W620 PolarHBondContact O-N 2.83Å; D618-W620 WeakPolarHBondContact OD1-CA 3.24Å; D618-W620 PolarHBondContact OD1-N 3.11Å
621	G	93.4	Very high	95.5	Very high	21 Å²	21	58.6 Å²	58.6	22%	0.216	35%	0.346	C	S	.	.	S	Bend	trans	90.4	19.2	-178.5	0	0	0	0	0	113.9	R354 Y617 D618	R354-G621 VanDerWaalsContact CZ-CA 3.45Å; Y617-G621 WeakPolarHBondContact CD1-O 3.15Å; D618-G621 PolarHBondContact O-N 2.89Å; D618-G621 VanDerWaalsContact O-N 3.1Å; D618-G621 PolarHBondContact OD1-N 3.05Å
622	K	94.8	Very high	95.6	Very high	47 Å²	47	57.3 Å²	57.3	20%	0.204	34%	0.341	C	S	.	.			trans	-86	134.3	168.5	-59.4	-170.8	-61	-66.4	0	109.5	Y617 D618 V624 Y637	Y617-K622 CarbonylContact C-O 3.51Å; Y617-K622 VanDerWaalsContact CA-O 3.24Å; Y617-K622 WeakPolarHBondContact CA-O 3.32Å; D618-K622 PolarHBondContact N-O 2.91Å; D618-K622 PolarHBondContact OD1-N 3.18Å; D618-K622 IonicContact OD1-NZ 2.95Å; D618-K622 WeakPolarHBondContact OD2-CE 3.13Å; D618-K622 IonicContact OD2-NZ 3.26Å; D618-K622 PolarHBondContact OD2-NZ 2.87Å; K622-V624 PolarHBondContact O-N 3.39Å; K622-Y637 HydrophobicContact CB-CD2 4.06Å; K622-Y637 HydrophobicContact CB-CE1 4.42Å; K622-Y637 HydrophobicContact CB-CE2 3.72Å; K622-Y637 HydrophobicContact CD-CD1 3.89Å; K622-Y637 HydrophobicContact CD-CD2 4.34Å; K622-Y637 HydrophobicContact CD-CE1 4.11Å; K622-Y637 HydrophobicContact CD-CG 4.01Å
623	A	96.3	Very high	95.5	Very high	26 Å²	26	59.5 Å²	59.5	22%	0.215	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	121.2	-178.6	0	0	0	0	0	110.7	T615 L616 Y617 Y637	T615-A623 HydrophobicContact CG2-CB 3.76Å; L616-A623 CarbonylContact O-C 3.53Å; L616-A623 WeakPolarHBondContact O-CA 3.41Å; Y617-A623 HydrophobicContact CD1-CB 4.24Å; Y617-A623 HydrophobicContact CE1-CB 4.05Å; A623-Y637 VanDerWaalsContact O-CE2 3.23Å; A623-Y637 WeakPolarHBondContact O-CE2 3.34Å; A623-Y637 PolarHBondContact O-OH 2.66Å
624	V	97.1	Very high	95.5	Very high	41 Å²	41	60.1 Å²	60.1	25%	0.248	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-22.3	-178.3	-67	0	0	0	0	113.1	L616 D618 K622 S634 M635 Y637	L616-V624 HydrophobicContact CB-CG2 3.91Å; L616-V624 WeakPolarHBondContact O-CG2 3.29Å; L616-V624 PolarHBondContact O-N 3.01Å; D618-V624 HydrophobicContact CB-CG1 3.74Å; K622-V624 PolarHBondContact O-N 3.39Å; V624-S634 CarbonylContact O-C 3.53Å; V624-S634 WeakPolarHBondContact O-CA 3.32Å; V624-S634 WeakPolarHBondContact O-CB 3.35Å; V624-M635 PolarHBondContact O-N 2.62Å; V624-Y637 HydrophobicContact CG1-CD2 4.45Å; V624-Y637 HydrophobicContact CG1-CE2 4.33Å
625	S	98	Very high	95.4	Very high	18 Å²	18	58.7 Å²	58.7	13%	0.126	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	139.7	177	-179.2	0	0	0	0	111	T615 L616 T632 R633	T615-S625 CarbonylContact C-O 3.58Å; T615-S625 VanDerWaalsContact CA-O 3.25Å; T615-S625 WeakPolarHBondContact CA-O 3.25Å; L616-S625 PolarHBondContact N-O 2.88Å; L616-S625 PolarHBondContact O-N 2.99Å; S625-T632 VanDerWaalsContact OG-CG2 3.31Å; S625-T632 WeakPolarHBondContact OG-CG2 3.17Å; S625-R633 CarbonylContact C-O 3.52Å; S625-R633 WeakPolarHBondContact CA-O 3.46Å; S625-R633 PolarHBondContact OG-O 3Å
626	T	98	Very high	95.4	Very high	42 Å²	42	62.9 Å²	62.9	26%	0.258	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.9	171.9	-61	0	0	0	0	109.4	E614 T615 T632 R633	E614-T626 CarbonylContact O-C 3.54Å; E614-T626 WeakPolarHBondContact O-CA 3.32Å; T615-T626 PolarHBondContact OG1-OG1 2.77Å; T615-T626 VanDerWaalsContact OG1-OG1 3.12Å; T626-T632 WeakPolarHBondContact O-CA 3.48Å; T626-R633 PolarHBondContact N-O 3.26Å; T626-R633 PolarHBondContact O-N 3.47Å
627	T	97.9	Very high	95.3	Very high	42 Å²	42	60 Å²	60	26%	0.258	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.8	179.8	-55.5	0	0	0	0	110.2	S613 E614 L631 T632	S613-T627 CarbonylContact C-O 3.51Å; S613-T627 WeakPolarHBondContact CA-O 3.47Å; E614-T627 PolarHBondContact N-O 3.03Å; E614-T627 PolarHBondContact O-N 2.81Å; T627-L631 CarbonylContact C-O 3.53Å; T627-L631 WeakPolarHBondContact CA-O 3.29Å; T627-T632 WeakPolarHBondContact OG1-CG2 3.26Å; T627-T632 PolarHBondContact OG1-OG1 3.2Å
628	Q	95.4	Very high	95.1	Very high	113 Å²	113	58.3 Å²	58.3	53%	0.528	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	129.9	175.9	-173.8	178.3	12.7	0	0	110.1	G630 L631	Q628-G630 PolarHBondContact O-N 3.43Å; Q628-L631 PolarHBondContact N-O 3.19Å; Q628-L631 WeakPolarHBondContact O-CB 3.41Å; Q628-L631 PolarHBondContact O-N 2.91Å
629	G	92.1	Very high	95	Very high	74 Å²	74	58.5 Å²	58.5	76%	0.763	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	29.4	178.6	0	0	0	0	0	114	L631	G629-L631 PolarHBondContact O-N 2.82Å
630	G	89.3	Confident	95.1	Very high	68 Å²	68	57.5 Å²	57.5	70%	0.701	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-4.7	-175.1	0	0	0	0	0	114.9	Q628	Q628-G630 PolarHBondContact O-N 3.43Å
631	L	95.4	Very high	95.3	Very high	99 Å²	99	55.9 Å²	55.9	52%	0.518	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.2	175	-56.7	178.8	0	0	0	109.4	T627 Q628 G629 E649	T627-L631 CarbonylContact C-O 3.53Å; T627-L631 WeakPolarHBondContact CA-O 3.29Å; Q628-L631 PolarHBondContact N-O 3.19Å; Q628-L631 WeakPolarHBondContact O-CB 3.41Å; Q628-L631 PolarHBondContact O-N 2.91Å; G629-L631 PolarHBondContact O-N 2.82Å; L631-E649 HydrophobicContact CB-CB 3.93Å; L631-E649 HydrophobicContact CD2-CB 4.14Å; L631-E649 HydrophobicContact CG-CB 4.44Å
632	T	96.6	Very high	95.3	Very high	61 Å²	61	56.8 Å²	56.8	37%	0.374	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.7	-178.3	-54.1	0	0	0	0	110.3	S625 T626 T627 E649	S625-T632 VanDerWaalsContact OG-CG2 3.31Å; S625-T632 WeakPolarHBondContact OG-CG2 3.17Å; T626-T632 WeakPolarHBondContact O-CA 3.48Å; T627-T632 WeakPolarHBondContact OG1-CG2 3.26Å; T627-T632 PolarHBondContact OG1-OG1 3.2Å; T632-E649 VanDerWaalsContact O-CA 3.3Å; T632-E649 WeakPolarHBondContact O-CA 3.27Å; T632-E649 PolarHBondContact O-N 2.92Å
633	R	96.6	Very high	95.4	Very high	135 Å²	135	56.2 Å²	56.2	51%	0.509	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	148.4	169.6	-61.7	173.8	177.4	165.9	1.1	108.7	S625 T626 T647 E649	S625-R633 CarbonylContact C-O 3.52Å; S625-R633 WeakPolarHBondContact CA-O 3.46Å; S625-R633 PolarHBondContact OG-O 3Å; T626-R633 PolarHBondContact N-O 3.26Å; T626-R633 PolarHBondContact O-N 3.47Å; R633-T647 CarbonylContact C-O 3.55Å; R633-T647 VanDerWaalsContact CA-O 3.31Å; R633-T647 WeakPolarHBondContact CA-O 3.36Å; R633-E649 IonicContact CZ-OE1 3.74Å; R633-E649 IonicContact CZ-OE2 2.8Å; R633-E649 IonicContact NE-OE1 3.38Å; R633-E649 IonicContact NE-OE2 2.74Å; R633-E649 PolarHBondContact NE-OE2 2.95Å; R633-E649 IonicContact NH2-OE1 3.84Å; R633-E649 PolarHBondContact NH2-OE1 3.45Å; R633-E649 IonicContact NH2-OE2 2.74Å; R633-E649 PolarHBondContact NH2-OE2 3.23Å
634	S	97.6	Very high	95.4	Very high	36 Å²	36	57.9 Å²	57.9	25%	0.252	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	156.2	177.5	56.2	0	0	0	0	113.2	V624 L646 T647	V624-S634 CarbonylContact O-C 3.53Å; V624-S634 WeakPolarHBondContact O-CA 3.32Å; V624-S634 WeakPolarHBondContact O-CB 3.35Å; S634-L646 CarbonylContact O-C 3.58Å; S634-L646 WeakPolarHBondContact O-CA 3.48Å; S634-T647 PolarHBondContact N-O 2.71Å; S634-T647 PolarHBondContact O-N 3.03Å; S634-T647 VanDerWaalsContact OG-CB 3.29Å; S634-T647 WeakPolarHBondContact OG-CB 3.33Å; S634-T647 PolarHBondContact OG-OG1 2.73Å
635	M	96.8	Very high	95.4	Very high	58 Å²	58	56.6 Å²	56.6	29%	0.286	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.4	-179.2	-61.8	119.4	-179.6	0	0	109.6	V624 Y637 S645 L646	V624-M635 PolarHBondContact O-N 2.62Å; M635-Y637 HydrophobicContact CB-CE2 3.98Å; M635-S645 WeakPolarHBondContact CA-O 3.48Å; M635-L646 HydrophobicContact CB-CD2 3.87Å; M635-L646 HydrophobicContact CE-CD2 4.36Å; M635-L646 HydrophobicContact CG-CD2 3.13Å
636	E	96.8	Very high	95.4	Very high	110 Å²	110	57.8 Å²	57.8	51%	0.514	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.9	171.2	-61.4	-177.8	174.9	0	0	110.3	V643 I644 S645	E636-V643 CarbonylContact O-C 3.6Å; E636-V643 WeakPolarHBondContact O-CA 3.38Å; E636-I644 HydrophobicContact CB-CD1 4.41Å; E636-I644 HydrophobicContact CB-CG1 3.93Å; E636-I644 PolarHBondContact O-N 2.96Å; E636-S645 PolarHBondContact N-O 2.79Å
637	Y	95.8	Very high	95.3	Very high	50 Å²	50	57 Å²	57	20%	0.196	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.6	-178.9	-56.7	-89.5	0	0	0	111.3	K622 A623 V624 M635 G641 R642 V643	K622-Y637 HydrophobicContact CB-CD2 4.06Å; K622-Y637 HydrophobicContact CB-CE1 4.42Å; K622-Y637 HydrophobicContact CB-CE2 3.72Å; K622-Y637 HydrophobicContact CD-CD1 3.89Å; K622-Y637 HydrophobicContact CD-CD2 4.34Å; K622-Y637 HydrophobicContact CD-CE1 4.11Å; K622-Y637 HydrophobicContact CD-CG 4.01Å; A623-Y637 VanDerWaalsContact O-CE2 3.23Å; A623-Y637 WeakPolarHBondContact O-CE2 3.34Å; A623-Y637 PolarHBondContact O-OH 2.66Å; V624-Y637 HydrophobicContact CG1-CD2 4.45Å; V624-Y637 HydrophobicContact CG1-CE2 4.33Å; M635-Y637 HydrophobicContact CB-CE2 3.98Å; Y637-G641 WeakPolarHBondContact CD1-O 3.26Å; Y637-R642 CarbonylContact C-O 3.57Å; Y637-R642 WeakPolarHBondContact CA-O 3.32Å; Y637-V643 HydrophobicContact CD1-CG2 3.96Å; Y637-V643 HydrophobicContact CE1-CG2 3.51Å
638	D	94.1	Very high	95.1	Very high	31 Å²	31	56.1 Å²	56.1	17%	0.166	33%	0.333	C	S	.	.			trans	-81.3	179.6	166.6	70.8	13.8	0	0	0	112.5	A640 G641 R642 I644	D638-A640 PolarHBondContact O-N 2.59Å; D638-A640 WeakPolarHBondContact OD1-CA 3.45Å; D638-A640 WeakPolarHBondContact OD1-CB 3.24Å; D638-A640 PolarHBondContact OD1-N 2.94Å; D638-G641 WeakPolarHBondContact O-CA 3.21Å; D638-G641 PolarHBondContact O-N 3.23Å; D638-G641 PolarHBondContact OD1-N 2.97Å; D638-G641 VanDerWaalsContact OD1-N 3.08Å; D638-R642 PolarHBondContact N-O 2.92Å; D638-R642 PolarHBondContact OD1-N 2.88Å; D638-R642 IonicContact OD1-NE 2.76Å; D638-R642 IonicContact OD2-CZ 3.92Å; D638-R642 IonicContact OD2-NE 3.01Å; D638-R642 PolarHBondContact OD2-NE 2.89Å; D638-R642 IonicContact OD2-NH2 3.64Å; D638-R642 PolarHBondContact OD2-NH2 2.89Å; D638-I644 HydrophobicContact CB-CG2 3.88Å
639	A	91.5	Very high	95	Very high	41 Å²	41	54 Å²	54	34%	0.339	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.8	179.3	0	0	0	0	0	113.8	G375 L376	G375-A639 CarbonylContact C-O 3.51Å; G375-A639 VanDerWaalsContact C-O 3.24Å; G375-A639 VanDerWaalsContact CA-O 3.25Å; G375-A639 WeakPolarHBondContact CA-O 3.36Å; L376-A639 HydrophobicContact CD2-CB 4.33Å; L376-A639 PolarHBondContact N-O 3.5Å
640	A	93.6	Very high	95	Very high	30 Å²	30	56.8 Å²	56.8	25%	0.248	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-4.3	172.6	0	0	0	0	0	112.5	L376 L393 D638 R642	L376-A640 HydrophobicContact CD1-CB 3.96Å; L376-A640 HydrophobicContact CD2-CB 4.22Å; L376-A640 HydrophobicContact CG-CB 4.2Å; L393-A640 HydrophobicContact CD1-CB 4.13Å; D638-A640 PolarHBondContact O-N 2.59Å; D638-A640 WeakPolarHBondContact OD1-CA 3.45Å; D638-A640 WeakPolarHBondContact OD1-CB 3.24Å; D638-A640 PolarHBondContact OD1-N 2.94Å; A640-R642 VanDerWaalsContact C-N 3.35Å; A640-R642 HydrophobicContact CB-CG 4.06Å
641	G	93.4	Very high	95.1	Very high	30 Å²	30	55.6 Å²	55.6	31%	0.309	31%	0.308	S	S	.	.	S	Bend	trans	81.2	15.6	-178.7	0	0	0	0	0	113.4	Y637 D638	Y637-G641 WeakPolarHBondContact CD1-O 3.26Å; D638-G641 WeakPolarHBondContact O-CA 3.21Å; D638-G641 PolarHBondContact O-N 3.23Å; D638-G641 PolarHBondContact OD1-N 2.97Å; D638-G641 VanDerWaalsContact OD1-N 3.08Å
642	R	95.1	Very high	95	Very high	40 Å²	40	53 Å²	53	15%	0.151	30%	0.298	C	S	.	.			trans	-89.3	141.5	-179.7	-54.5	174.7	-63.1	-174.5	14.4	109.7	Y637 D638 A640 I644 W658 D659 D662	Y637-R642 CarbonylContact C-O 3.57Å; Y637-R642 WeakPolarHBondContact CA-O 3.32Å; D638-R642 PolarHBondContact N-O 2.92Å; D638-R642 PolarHBondContact OD1-N 2.88Å; D638-R642 IonicContact OD1-NE 2.76Å; D638-R642 IonicContact OD2-CZ 3.92Å; D638-R642 IonicContact OD2-NE 3.01Å; D638-R642 PolarHBondContact OD2-NE 2.89Å; D638-R642 IonicContact OD2-NH2 3.64Å; D638-R642 PolarHBondContact OD2-NH2 2.89Å; A640-R642 VanDerWaalsContact C-N 3.35Å; A640-R642 HydrophobicContact CB-CG 4.06Å; R642-I644 PolarHBondContact O-N 2.82Å; R642-W658 HydrophobicContact CB-CD2 4.07Å; R642-W658 HydrophobicContact CB-CG 4.27Å; R642-W658 HydrophobicContact CB-CZ2 4.18Å; R642-W658 HydrophobicContact CG-CD2 4.38Å; R642-W658 VanDerWaalsContact CZ-CB 3.41Å; R642-D659 PolarHBondContact NH1-O 3.19Å; R642-D662 VanDerWaalsContact CD-OD1 3.28Å; R642-D662 WeakPolarHBondContact CD-OD1 3.36Å; R642-D662 IonicContact CZ-OD1 3.43Å; R642-D662 IonicContact NE-OD1 3.22Å; R642-D662 PolarHBondContact NE-OD1 3.01Å; R642-D662 IonicContact NH1-OD1 2.71Å; R642-D662 PolarHBondContact NH1-OD1 3.1Å
643	V	95.7	Very high	94.9	Very high	35 Å²	35	55 Å²	55	21%	0.212	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	129.9	175.8	180	0	0	0	0	108.8	E636 Y637 L646 F656 W658	E636-V643 CarbonylContact O-C 3.6Å; E636-V643 WeakPolarHBondContact O-CA 3.38Å; Y637-V643 HydrophobicContact CD1-CG2 3.96Å; Y637-V643 HydrophobicContact CE1-CG2 3.51Å; V643-L646 HydrophobicContact CG1-CD2 3.74Å; V643-L646 HydrophobicContact CG1-CG 3.87Å; V643-F656 HydrophobicContact CG1-CD2 3.88Å; V643-F656 HydrophobicContact CG1-CE2 3.96Å; V643-F656 WeakPolarHBondContact O-CB 3.32Å; V643-W658 WeakPolarHBondContact O-CZ2 3.19Å; V643-W658 PolarHBondContact O-NE1 2.96Å
644	I	96.5	Very high	94.9	Very high	61 Å²	61	48.7 Å²	48.7	31%	0.313	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-24.3	176	56.1	172	0	0	0	112.4	E636 D638 R642 E655 F656	E636-I644 HydrophobicContact CB-CD1 4.41Å; E636-I644 HydrophobicContact CB-CG1 3.93Å; E636-I644 PolarHBondContact O-N 2.96Å; D638-I644 HydrophobicContact CB-CG2 3.88Å; R642-I644 PolarHBondContact O-N 2.82Å; I644-E655 WeakPolarHBondContact O-CA 3.27Å; I644-F656 PolarHBondContact O-N 2.85Å
645	S	97.3	Very high	94.9	Very high	14 Å²	14	51.6 Å²	51.6	10%	0.098	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	141.2	177.4	-175.6	0	0	0	0	110.6	M635 E636 T654	M635-S645 WeakPolarHBondContact CA-O 3.48Å; E636-S645 PolarHBondContact N-O 2.79Å; S645-T654 CarbonylContact C-O 3.52Å; S645-T654 VanDerWaalsContact CA-O 3.27Å; S645-T654 WeakPolarHBondContact CA-O 3.49Å
646	L	97.3	Very high	94.9	Very high	44 Å²	44	49.8 Å²	49.8	23%	0.23	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.2	166	-63.5	173.6	0	0	0	108.5	S634 M635 V643 H653 T654 F656 F670	S634-L646 CarbonylContact O-C 3.58Å; S634-L646 WeakPolarHBondContact O-CA 3.48Å; M635-L646 HydrophobicContact CB-CD2 3.87Å; M635-L646 HydrophobicContact CE-CD2 4.36Å; M635-L646 HydrophobicContact CG-CD2 3.13Å; V643-L646 HydrophobicContact CG1-CD2 3.74Å; V643-L646 HydrophobicContact CG1-CG 3.87Å; L646-H653 CarbonylContact O-C 3.58Å; L646-H653 VanDerWaalsContact O-CA 3.25Å; L646-H653 WeakPolarHBondContact O-CA 3.28Å; L646-T654 PolarHBondContact N-O 2.89Å; L646-T654 PolarHBondContact O-N 2.85Å; L646-F656 HydrophobicContact CB-CE2 4.41Å; L646-F656 HydrophobicContact CD1-CE2 3.62Å; L646-F656 HydrophobicContact CD1-CZ 3.63Å; L646-F656 HydrophobicContact CG-CE2 3.68Å; L646-F656 HydrophobicContact CG-CZ 4.22Å; L646-F670 HydrophobicContact CB-CZ 4.17Å; L646-F670 WeakPolarHBondContact O-CE1 3.45Å
647	T	97.3	Very high	95	Very high	24 Å²	24	48 Å²	48	15%	0.147	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.8	171	-47.8	0	0	0	0	108.9	R633 S634 S652 H653	R633-T647 CarbonylContact C-O 3.55Å; R633-T647 VanDerWaalsContact CA-O 3.31Å; R633-T647 WeakPolarHBondContact CA-O 3.36Å; S634-T647 PolarHBondContact N-O 2.71Å; S634-T647 PolarHBondContact O-N 3.03Å; S634-T647 VanDerWaalsContact OG-CB 3.29Å; S634-T647 WeakPolarHBondContact OG-CB 3.33Å; S634-T647 PolarHBondContact OG-OG1 2.73Å; T647-S652 VanDerWaalsContact CA-O 3.32Å; T647-S652 WeakPolarHBondContact CA-O 3.26Å; T647-H653 PolarHBondContact OG1-CD2 2.92Å; T647-H653 VanDerWaalsContact OG1-CD2 3.23Å; T647-H653 PolarHBondContact OG1-NE2 2.86Å
648	N	93.4	Very high	95.1	Very high	25 Å²	25	48.5 Å²	48.5	13%	0.134	28%	0.275	C	S	.	.			trans	-85.4	178.2	176.4	72.3	8.5	0	0	0	112	N650 G651 S652 F670	N648-N650 PolarHBondContact O-N 2.91Å; N648-N650 VanDerWaalsContact O-N 3.1Å; N648-N650 WeakPolarHBondContact OD1-CA 3.28Å; N648-N650 PolarHBondContact OD1-N 3.27Å; N648-G651 PolarHBondContact O-N 2.89Å; N648-G651 PolarHBondContact OD1-N 2.83Å; N648-S652 PolarHBondContact N-O 2.89Å; N648-S652 WeakPolarHBondContact OD1-CB 3.49Å; N648-S652 PolarHBondContact OD1-N 3.26Å; N648-S652 PolarHBondContact OD1-O 2.99Å; N648-F670 HydrophobicContact CB-CD1 4.3Å; N648-F670 HydrophobicContact CB-CE1 3.77Å; N648-F670 HydrophobicContact CB-CE2 4.24Å; N648-F670 HydrophobicContact CB-CZ 3.74Å
649	E	93.6	Very high	95.1	Very high	68 Å²	68	48.4 Å²	48.4	32%	0.318	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-19	178.5	57.3	-92.8	-144.6	0	0	115.1	L631 T632 R633	L631-E649 HydrophobicContact CB-CB 3.93Å; L631-E649 HydrophobicContact CD2-CB 4.14Å; L631-E649 HydrophobicContact CG-CB 4.44Å; T632-E649 VanDerWaalsContact O-CA 3.3Å; T632-E649 WeakPolarHBondContact O-CA 3.27Å; T632-E649 PolarHBondContact O-N 2.92Å; R633-E649 IonicContact CZ-OE1 3.74Å; R633-E649 IonicContact CZ-OE2 2.8Å; R633-E649 IonicContact NE-OE1 3.38Å; R633-E649 IonicContact NE-OE2 2.74Å; R633-E649 PolarHBondContact NE-OE2 2.95Å; R633-E649 IonicContact NH2-OE1 3.84Å; R633-E649 PolarHBondContact NH2-OE1 3.45Å; R633-E649 IonicContact NH2-OE2 2.74Å; R633-E649 PolarHBondContact NH2-OE2 3.23Å
650	N	92.5	Very high	95.3	Very high	132 Å²	132	49.6 Å²	49.6	71%	0.706	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	2.2	178.2	-64	-26.2	0	0	0	112.6	N648 S652	N648-N650 PolarHBondContact O-N 2.91Å; N648-N650 VanDerWaalsContact O-N 3.1Å; N648-N650 WeakPolarHBondContact OD1-CA 3.28Å; N648-N650 PolarHBondContact OD1-N 3.27Å; N650-S652 VanDerWaalsContact C-N 3.26Å; N650-S652 PolarHBondContact O-N 2.89Å
651	G	90.1	Very high	95.3	Very high	43 Å²	43	50.3 Å²	50.3	44%	0.443	28%	0.277	S	S	.	.	S	Bend	trans	75.1	10.6	-175.5	0	0	0	0	0	114.4	N648 H653	N648-G651 PolarHBondContact O-N 2.89Å; N648-G651 PolarHBondContact OD1-N 2.83Å; G651-H653 PolarHBondContact O-CE1 2.87Å; G651-H653 PolarHBondContact O-ND1 2.81Å
652	S	94.3	Very high	95.4	Very high	44 Å²	44	52 Å²	52	31%	0.308	28%	0.279	S	S	.	.			trans	-76.3	152.8	171.8	-49	0	0	0	0	110.1	T647 N648 N650 F670	T647-S652 VanDerWaalsContact CA-O 3.32Å; T647-S652 WeakPolarHBondContact CA-O 3.26Å; N648-S652 PolarHBondContact N-O 2.89Å; N648-S652 WeakPolarHBondContact OD1-CB 3.49Å; N648-S652 PolarHBondContact OD1-N 3.26Å; N648-S652 PolarHBondContact OD1-O 2.99Å; N650-S652 VanDerWaalsContact C-N 3.26Å; N650-S652 PolarHBondContact O-N 2.89Å; S652-F670 VanDerWaalsContact C-CD1 3.47Å; S652-F670 WeakPolarHBondContact O-CD1 3.33Å; S652-F670 WeakPolarHBondContact O-CE1 3.29Å
653	H	93.6	Very high	95.4	Very high	103 Å²	103	52.1 Å²	52.1	48%	0.477	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.1	-175.6	-59.6	79	0	0	0	111.9	L646 T647 G651 F670	L646-H653 CarbonylContact O-C 3.58Å; L646-H653 VanDerWaalsContact O-CA 3.25Å; L646-H653 WeakPolarHBondContact O-CA 3.28Å; T647-H653 PolarHBondContact OG1-CD2 2.92Å; T647-H653 VanDerWaalsContact OG1-CD2 3.23Å; T647-H653 PolarHBondContact OG1-NE2 2.86Å; G651-H653 PolarHBondContact O-CE1 2.87Å; G651-H653 PolarHBondContact O-ND1 2.81Å; H653-F670 VanDerWaalsContact C-CD1 3.41Å
654	T	96.4	Very high	95.5	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.025	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.8	163.4	-64.3	0	0	0	0	108.2	S645 L646 F656 Q667 R668 F670	S645-T654 CarbonylContact C-O 3.52Å; S645-T654 VanDerWaalsContact CA-O 3.27Å; S645-T654 WeakPolarHBondContact CA-O 3.49Å; L646-T654 PolarHBondContact N-O 2.89Å; L646-T654 PolarHBondContact O-N 2.85Å; T654-F656 HydrophobicContact CG2-CD2 4.29Å; T654-F656 HydrophobicContact CG2-CE1 4.19Å; T654-F656 HydrophobicContact CG2-CE2 3.44Å; T654-F656 VanDerWaalsContact CG2-CE2 3.44Å; T654-F656 HydrophobicContact CG2-CZ 3.39Å; T654-Q667 HydrophobicContact CG2-CG 3.85Å; T654-R668 CarbonylContact C-O 3.56Å; T654-R668 WeakPolarHBondContact CA-O 3.46Å; T654-R668 WeakPolarHBondContact CG2-O 3.38Å; T654-F670 VanDerWaalsContact OG1-CD1 3.3Å; T654-F670 WeakPolarHBondContact OG1-CD1 3.29Å; T654-F670 WeakPolarHBondContact OG1-CD2 3.36Å; T654-F670 VanDerWaalsContact OG1-CE1 3.29Å; T654-F670 WeakPolarHBondContact OG1-CE1 3.4Å; T654-F670 WeakPolarHBondContact OG1-CE2 3.21Å; T654-F670 WeakPolarHBondContact OG1-CG 3.35Å; T654-F670 VanDerWaalsContact OG1-CZ 3.32Å; T654-F670 WeakPolarHBondContact OG1-CZ 3.39Å; T654-F670 PolarHBondContact OG1-N 2.71Å
655	E	97.5	Very high	95.5	Very high	97 Å²	97	51.1 Å²	51.1	45%	0.453	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.8	-179.1	-61.9	174.5	157.5	0	0	110.9	I644 Q667 R668	I644-E655 WeakPolarHBondContact O-CA 3.27Å; E655-Q667 CarbonylContact O-C 3.52Å; E655-Q667 VanDerWaalsContact O-CA 3.28Å; E655-Q667 WeakPolarHBondContact O-CA 3.45Å; E655-R668 HydrophobicContact CB-CB 4.33Å; E655-R668 PolarHBondContact N-O 2.81Å; E655-R668 PolarHBondContact O-N 2.98Å; E655-R668 IonicContact OE2-NE 2.64Å
656	F	97.8	Very high	95.5	Very high	20 Å²	20	52.5 Å²	52.5	9%	0.088	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.9	-179.3	-57.9	-97.8	0	0	0	110.9	V643 I644 L646 T654 W658 L664 Q666 Q667	V643-F656 HydrophobicContact CG1-CD2 3.88Å; V643-F656 HydrophobicContact CG1-CE2 3.96Å; V643-F656 WeakPolarHBondContact O-CB 3.32Å; I644-F656 PolarHBondContact O-N 2.85Å; L646-F656 HydrophobicContact CB-CE2 4.41Å; L646-F656 HydrophobicContact CD1-CE2 3.62Å; L646-F656 HydrophobicContact CD1-CZ 3.63Å; L646-F656 HydrophobicContact CG-CE2 3.68Å; L646-F656 HydrophobicContact CG-CZ 4.22Å; T654-F656 HydrophobicContact CG2-CD2 4.29Å; T654-F656 HydrophobicContact CG2-CE1 4.19Å; T654-F656 HydrophobicContact CG2-CE2 3.44Å; T654-F656 VanDerWaalsContact CG2-CE2 3.44Å; T654-F656 HydrophobicContact CG2-CZ 3.39Å; F656-W658 HydrophobicContact CB-CZ2 4.15Å; F656-L664 HydrophobicContact CB-CD1 3.89Å; F656-L664 HydrophobicContact CD1-CD1 3.73Å; F656-L664 HydrophobicContact CD1-CD2 4.36Å; F656-L664 HydrophobicContact CG-CD1 4.31Å; F656-Q666 WeakPolarHBondContact CA-O 3.47Å; F656-Q667 HydrophobicContact CD1-CB 4.22Å; F656-Q667 HydrophobicContact CD1-CG 3.91Å; F656-Q667 HydrophobicContact CE1-CB 4.4Å; F656-Q667 VanDerWaalsContact CE1-CD 3.45Å; F656-Q667 HydrophobicContact CE1-CG 3.68Å; F656-Q667 HydrophobicContact CZ-CG 4.26Å
657	N	97.7	Very high	95.5	Very high	73 Å²	73	51.8 Å²	51.8	39%	0.39	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.4	172.8	-60.7	-65.6	0	0	0	111	L664 I665 Q666	N657-L664 WeakPolarHBondContact O-CD1 3.11Å; N657-I665 HydrophobicContact CB-CG1 4.19Å; N657-I665 VanDerWaalsContact O-CG1 3.28Å; N657-I665 WeakPolarHBondContact O-CG1 3.17Å; N657-I665 PolarHBondContact O-N 3.14Å; N657-Q666 HydrophobicContact CB-CB 4.12Å; N657-Q666 PolarHBondContact N-O 2.91Å; N657-Q666 PolarHBondContact ND2-OE1 2.65Å; N657-Q666 PolarHBondContact O-N 2.93Å
658	W	97.7	Very high	95.4	Very high	60 Å²	60	55.6 Å²	55.6	23%	0.227	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149.7	-171	-51.4	87.1	0	0	0	110.3	R642 V643 F656 R663 L664	R642-W658 HydrophobicContact CB-CD2 4.07Å; R642-W658 HydrophobicContact CB-CG 4.27Å; R642-W658 HydrophobicContact CB-CZ2 4.18Å; R642-W658 HydrophobicContact CG-CD2 4.38Å; R642-W658 VanDerWaalsContact CZ-CB 3.41Å; V643-W658 WeakPolarHBondContact O-CZ2 3.19Å; V643-W658 PolarHBondContact O-NE1 2.96Å; F656-W658 HydrophobicContact CB-CZ2 4.15Å; W658-R663 CarbonylContact C-O 3.55Å; W658-R663 VanDerWaalsContact CA-O 3.26Å; W658-R663 WeakPolarHBondContact CA-O 3.3Å; W658-L664 HydrophobicContact CD2-CD1 4.35Å; W658-L664 HydrophobicContact CE3-CB 3.95Å; W658-L664 HydrophobicContact CE3-CD1 4.44Å; W658-L664 HydrophobicContact CH2-CB 4.21Å; W658-L664 HydrophobicContact CH2-CD1 4.2Å; W658-L664 HydrophobicContact CZ2-CD1 4.11Å; W658-L664 HydrophobicContact CZ3-CB 3.72Å; W658-L664 HydrophobicContact CZ3-CD1 4.37Å
659	D	95.5	Very high	95.4	Very high	29 Å²	29	55.1 Å²	55.1	16%	0.155	29%	0.285	C	S	.	.			trans	-82.8	-175.5	170.8	71.9	12	0	0	0	112.7	R642 L661 D662 R663 I665	R642-D659 PolarHBondContact NH1-O 3.19Å; D659-L661 PolarHBondContact O-N 2.93Å; D659-L661 WeakPolarHBondContact OD1-CA 3.46Å; D659-L661 PolarHBondContact OD1-N 3.09Å; D659-D662 PolarHBondContact O-N 2.92Å; D659-D662 PolarHBondContact OD1-N 2.91Å; D659-R663 PolarHBondContact N-O 3.3Å; D659-R663 WeakPolarHBondContact OD1-CB 3.45Å; D659-R663 PolarHBondContact OD1-N 3.5Å; D659-R663 IonicContact OD1-NE 3.31Å; D659-R663 IonicContact OD2-CZ 2.87Å; D659-R663 IonicContact OD2-NE 3.91Å; D659-R663 PolarHBondContact OD2-NE 2.74Å; D659-R663 IonicContact OD2-NH2 2.72Å; D659-R663 PolarHBondContact OD2-NH2 3Å; D659-I665 HydrophobicContact CB-CD1 4.49Å; D659-I665 HydrophobicContact CB-CG2 3.8Å
660	V	94.9	Very high	95.3	Very high	65 Å²	65	56.2 Å²	56.2	39%	0.394	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.3	179.3	-61.6	0	0	0	0	113.3	R395 A416 D417	R395-V660 WeakPolarHBondContact CD-O 3.43Å; R395-V660 HydrophobicContact CG-CB 4.41Å; R395-V660 PolarHBondContact NH1-O 3.09Å; A416-V660 HydrophobicContact CB-CB 4.2Å; A416-V660 HydrophobicContact CB-CG2 4.23Å; D417-V660 HydrophobicContact CB-CG2 3.74Å
661	L	94.8	Very high	95.2	Very high	46 Å²	46	55.4 Å²	55.4	24%	0.241	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	17.5	176	-60.2	-170.7	0	0	0	112.5	L415 A416 D417 D659 R663	L415-L661 HydrophobicContact CB-CD2 4.03Å; A416-L661 HydrophobicContact CB-CD2 4.36Å; D417-L661 HydrophobicContact CB-CD1 4.25Å; D417-L661 HydrophobicContact CB-CD2 4.41Å; D417-L661 HydrophobicContact CB-CG 4.15Å; D417-L661 WeakPolarHBondContact OD2-CD1 3.32Å; D659-L661 PolarHBondContact O-N 2.93Å; D659-L661 WeakPolarHBondContact OD1-CA 3.46Å; D659-L661 PolarHBondContact OD1-N 3.09Å; L661-R663 VanDerWaalsContact C-N 3.28Å; L661-R663 HydrophobicContact CB-CG 4.31Å; L661-R663 PolarHBondContact O-N 3.25Å
662	D	94.9	Very high	95.1	Very high	64 Å²	64	55 Å²	55	34%	0.342	28%	0.281	S	S	.	.	S	Bend	trans	63.8	28.6	179.9	-56.8	-41.1	0	0	0	114	R395 R642 D659	R395-D662 IonicContact CZ-OD1 3.71Å; R395-D662 IonicContact CZ-OD2 2.71Å; R395-D662 IonicContact NH1-OD1 3.11Å; R395-D662 PolarHBondContact NH1-OD1 3.02Å; R395-D662 IonicContact NH1-OD2 2.68Å; R395-D662 PolarHBondContact NH1-OD2 2.98Å; R395-D662 IonicContact NH2-OD1 3.04Å; R395-D662 IonicContact NH2-OD2 2.82Å; R642-D662 VanDerWaalsContact CD-OD1 3.28Å; R642-D662 WeakPolarHBondContact CD-OD1 3.36Å; R642-D662 IonicContact CZ-OD1 3.43Å; R642-D662 IonicContact NE-OD1 3.22Å; R642-D662 PolarHBondContact NE-OD1 3.01Å; R642-D662 IonicContact NH1-OD1 2.71Å; R642-D662 PolarHBondContact NH1-OD1 3.1Å; D659-D662 PolarHBondContact O-N 2.92Å; D659-D662 PolarHBondContact OD1-N 2.91Å
663	R	95.6	Very high	95	Very high	44 Å²	44	58.7 Å²	58.7	17%	0.166	29%	0.288	C	S	.	.			trans	-98.1	137.3	175.5	-52.3	176.6	-64.2	-167.8	2.8	110.7	W658 D659 L661 I665 Y679 D680	W658-R663 CarbonylContact C-O 3.55Å; W658-R663 VanDerWaalsContact CA-O 3.26Å; W658-R663 WeakPolarHBondContact CA-O 3.3Å; D659-R663 PolarHBondContact N-O 3.3Å; D659-R663 WeakPolarHBondContact OD1-CB 3.45Å; D659-R663 PolarHBondContact OD1-N 3.5Å; D659-R663 IonicContact OD1-NE 3.31Å; D659-R663 IonicContact OD2-CZ 2.87Å; D659-R663 IonicContact OD2-NE 3.91Å; D659-R663 PolarHBondContact OD2-NE 2.74Å; D659-R663 IonicContact OD2-NH2 2.72Å; D659-R663 PolarHBondContact OD2-NH2 3Å; L661-R663 VanDerWaalsContact C-N 3.28Å; L661-R663 HydrophobicContact CB-CG 4.31Å; L661-R663 PolarHBondContact O-N 3.25Å; R663-I665 PolarHBondContact O-N 2.95Å; R663-Y679 HydrophobicContact CB-CD2 3.86Å; R663-Y679 HydrophobicContact CB-CE2 3.58Å; R663-Y679 HydrophobicContact CB-CG 4.47Å; R663-D680 PolarHBondContact NH1-O 2.85Å
664	L	96.8	Very high	95	Very high	13 Å²	13	54.3 Å²	54.3	7%	0.068	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	115.2	-179.5	-179.5	67.5	0	0	0	110.3	F656 N657 W658 Q666 Q667 Y677 Y679	F656-L664 HydrophobicContact CB-CD1 3.89Å; F656-L664 HydrophobicContact CD1-CD1 3.73Å; F656-L664 HydrophobicContact CD1-CD2 4.36Å; F656-L664 HydrophobicContact CG-CD1 4.31Å; N657-L664 WeakPolarHBondContact O-CD1 3.11Å; W658-L664 HydrophobicContact CD2-CD1 4.35Å; W658-L664 HydrophobicContact CE3-CB 3.95Å; W658-L664 HydrophobicContact CE3-CD1 4.44Å; W658-L664 HydrophobicContact CH2-CB 4.21Å; W658-L664 HydrophobicContact CH2-CD1 4.2Å; W658-L664 HydrophobicContact CZ2-CD1 4.11Å; W658-L664 HydrophobicContact CZ3-CB 3.72Å; W658-L664 HydrophobicContact CZ3-CD1 4.37Å; L664-Q666 WeakPolarHBondContact CD1-O 3.32Å; L664-Q667 HydrophobicContact CD2-CB 4.47Å; L664-Y677 HydrophobicContact CD2-CD2 4.19Å; L664-Y677 HydrophobicContact CD2-CE2 3.74Å; L664-Y677 HydrophobicContact CG-CD2 4.04Å; L664-Y677 HydrophobicContact CG-CE2 4.06Å; L664-Y677 WeakPolarHBondContact O-CB 3.33Å; L664-Y677 WeakPolarHBondContact O-CD2 3.38Å; L664-Y679 WeakPolarHBondContact O-CE2 3.25Å; L664-Y679 PolarHBondContact O-OH 3.14Å
665	I	96.9	Very high	94.9	Very high	62 Å²	62	56.2 Å²	56.2	32%	0.318	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-16.7	180	55.8	170.6	0	0	0	113.3	N657 D659 R663 R676 Y677 Y679	N657-I665 HydrophobicContact CB-CG1 4.19Å; N657-I665 VanDerWaalsContact O-CG1 3.28Å; N657-I665 WeakPolarHBondContact O-CG1 3.17Å; N657-I665 PolarHBondContact O-N 3.14Å; D659-I665 HydrophobicContact CB-CD1 4.49Å; D659-I665 HydrophobicContact CB-CG2 3.8Å; R663-I665 PolarHBondContact O-N 2.95Å; I665-R676 CarbonylContact O-C 3.57Å; I665-R676 VanDerWaalsContact O-CA 3.29Å; I665-R676 WeakPolarHBondContact O-CA 3.47Å; I665-Y677 PolarHBondContact O-N 2.62Å; I665-Y679 HydrophobicContact CG2-CE2 4.36Å
666	Q	97.6	Very high	94.9	Very high	43 Å²	43	56.5 Å²	56.5	20%	0.201	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	141.2	176.3	-177.1	-179.2	4.6	0	0	111	F656 N657 L664 T674 Q675 R676	F656-Q666 WeakPolarHBondContact CA-O 3.47Å; N657-Q666 HydrophobicContact CB-CB 4.12Å; N657-Q666 PolarHBondContact N-O 2.91Å; N657-Q666 PolarHBondContact ND2-OE1 2.65Å; N657-Q666 PolarHBondContact O-N 2.93Å; L664-Q666 WeakPolarHBondContact CD1-O 3.32Å; Q666-T674 HydrophobicContact CG-CG2 3.75Å; Q666-Q675 CarbonylContact C-O 3.56Å; Q666-Q675 VanDerWaalsContact CA-O 3.23Å; Q666-Q675 WeakPolarHBondContact CA-O 3.47Å; Q666-Q675 WeakPolarHBondContact CG-O 3.23Å; Q666-R676 HydrophobicContact CB-CG 4.34Å; Q666-R676 HydrophobicContact CG-CG 4.06Å
667	Q	96.4	Very high	94.8	Very high	29 Å²	29	56.2 Å²	56.2	14%	0.136	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134	168.7	178.9	-179	-33.2	0	0	109.3	T654 E655 F656 L664 T674 Q675	T654-Q667 HydrophobicContact CG2-CG 3.85Å; E655-Q667 CarbonylContact O-C 3.52Å; E655-Q667 VanDerWaalsContact O-CA 3.28Å; E655-Q667 WeakPolarHBondContact O-CA 3.45Å; F656-Q667 HydrophobicContact CD1-CB 4.22Å; F656-Q667 HydrophobicContact CD1-CG 3.91Å; F656-Q667 HydrophobicContact CE1-CB 4.4Å; F656-Q667 VanDerWaalsContact CE1-CD 3.45Å; F656-Q667 HydrophobicContact CE1-CG 3.68Å; F656-Q667 HydrophobicContact CZ-CG 4.26Å; L664-Q667 HydrophobicContact CD2-CB 4.47Å; Q667-T674 CarbonylContact O-C 3.48Å; Q667-T674 WeakPolarHBondContact O-CA 3.2Å; Q667-Q675 PolarHBondContact N-O 2.89Å; Q667-Q675 PolarHBondContact O-N 2.9Å
668	R	96.2	Very high	94.8	Very high	104 Å²	104	59.9 Å²	59.9	39%	0.392	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.6	168.2	-178.9	-171.2	-66.8	-85.6	2.9	108.3	T654 E655 G672 R673	T654-R668 CarbonylContact C-O 3.56Å; T654-R668 WeakPolarHBondContact CA-O 3.46Å; T654-R668 WeakPolarHBondContact CG2-O 3.38Å; E655-R668 HydrophobicContact CB-CB 4.33Å; E655-R668 PolarHBondContact N-O 2.81Å; E655-R668 PolarHBondContact O-N 2.98Å; E655-R668 IonicContact OE2-NE 2.64Å; R668-G672 PolarHBondContact NH1-O 3.17Å; R668-R673 CarbonylContact C-O 3.56Å; R668-R673 VanDerWaalsContact CA-O 3.32Å; R668-R673 WeakPolarHBondContact CA-O 3.33Å
669	G	92.9	Very high	94.7	Very high	14 Å²	14	59.5 Å²	59.5	14%	0.144	28%	0.28	C	S	.	.			trans	-72.8	171.2	-178.2	0	0	0	0	0	114.3	D671 G672 R673	G669-D671 PolarHBondContact O-N 3.01Å; G669-G672 WeakPolarHBondContact O-CA 3.48Å; G669-G672 PolarHBondContact O-N 2.76Å; G669-R673 PolarHBondContact N-O 3.08Å
670	F	91.6	Very high	94.5	Very high	91 Å²	91	60.1 Å²	60.1	40%	0.399	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24	175.9	-64.2	-61.7	0	0	0	114.2	L646 N648 S652 H653 T654	L646-F670 HydrophobicContact CB-CZ 4.17Å; L646-F670 WeakPolarHBondContact O-CE1 3.45Å; N648-F670 HydrophobicContact CB-CD1 4.3Å; N648-F670 HydrophobicContact CB-CE1 3.77Å; N648-F670 HydrophobicContact CB-CE2 4.24Å; N648-F670 HydrophobicContact CB-CZ 3.74Å; S652-F670 VanDerWaalsContact C-CD1 3.47Å; S652-F670 WeakPolarHBondContact O-CD1 3.33Å; S652-F670 WeakPolarHBondContact O-CE1 3.29Å; H653-F670 VanDerWaalsContact C-CD1 3.41Å; T654-F670 VanDerWaalsContact OG1-CD1 3.3Å; T654-F670 WeakPolarHBondContact OG1-CD1 3.29Å; T654-F670 WeakPolarHBondContact OG1-CD2 3.36Å; T654-F670 VanDerWaalsContact OG1-CE1 3.29Å; T654-F670 WeakPolarHBondContact OG1-CE1 3.4Å; T654-F670 WeakPolarHBondContact OG1-CE2 3.21Å; T654-F670 WeakPolarHBondContact OG1-CG 3.35Å; T654-F670 VanDerWaalsContact OG1-CZ 3.32Å; T654-F670 WeakPolarHBondContact OG1-CZ 3.39Å; T654-F670 PolarHBondContact OG1-N 2.71Å
671	D	90.6	Very high	94.1	Very high	115 Å²	115	61.9 Å²	61.9	62%	0.615	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	0.1	174.6	62.3	-2.9	0	0	0	113	G669 R673	G669-D671 PolarHBondContact O-N 3.01Å; D671-R673 VanDerWaalsContact C-N 3.28Å; D671-R673 PolarHBondContact O-N 2.74Å; D671-R673 WeakPolarHBondContact OD1-CB 3.12Å; D671-R673 PolarHBondContact OD1-N 2.86Å; D671-R673 WeakPolarHBondContact OD2-CD 3.01Å; D671-R673 WeakPolarHBondContact OD2-CG 3.35Å
672	G	86.9	Confident	93.9	Very high	35 Å²	35	61.8 Å²	61.8	36%	0.361	29%	0.291	S	S	.	.	S	Bend	trans	84	-6.7	-178.4	0	0	0	0	0	114.5	R668 G669	R668-G672 PolarHBondContact NH1-O 3.17Å; G669-G672 WeakPolarHBondContact O-CA 3.48Å; G669-G672 PolarHBondContact O-N 2.76Å
673	R	91.9	Very high	93.7	Very high	121 Å²	121	60.3 Å²	60.3	46%	0.457	29%	0.291	S	S	.	.			trans	-69	141.3	-179.4	-63.2	178.6	77.3	159.2	-0.6	110.6	R668 G669 D671 D690 E691	R668-R673 CarbonylContact C-O 3.56Å; R668-R673 VanDerWaalsContact CA-O 3.32Å; R668-R673 WeakPolarHBondContact CA-O 3.33Å; G669-R673 PolarHBondContact N-O 3.08Å; D671-R673 VanDerWaalsContact C-N 3.28Å; D671-R673 PolarHBondContact O-N 2.74Å; D671-R673 WeakPolarHBondContact OD1-CB 3.12Å; D671-R673 PolarHBondContact OD1-N 2.86Å; D671-R673 WeakPolarHBondContact OD2-CD 3.01Å; D671-R673 WeakPolarHBondContact OD2-CG 3.35Å; R673-D690 IonicContact CZ-OD1 3.46Å; R673-D690 IonicContact NE-OD1 2.98Å; R673-D690 IonicContact NH2-OD1 3.31Å; R673-D690 PolarHBondContact NH2-OD1 3.39Å; R673-E691 WeakPolarHBondContact CA-OE1 3.48Å; R673-E691 HydrophobicContact CB-CG 4Å; R673-E691 HydrophobicContact CG-CG 4.01Å
674	T	94	Very high	93.5	Very high	11 Å²	11	59.9 Å²	59.9	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.1	-177.9	-58.7	0	0	0	0	111.2	Q666 Q667 R676 E691	Q666-T674 HydrophobicContact CG-CG2 3.75Å; Q667-T674 CarbonylContact O-C 3.48Å; Q667-T674 WeakPolarHBondContact O-CA 3.2Å; T674-R676 HydrophobicContact CG2-CG 4.36Å; T674-E691 PolarHBondContact N-OE1 3.28Å
675	Q	94.7	Very high	93.3	Very high	45 Å²	45	60.6 Å²	60.6	21%	0.21	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140.9	170.1	-67.1	177.8	-23.7	0	0	110.1	Q666 Q667 Y677 E689 D690	Q666-Q675 CarbonylContact C-O 3.56Å; Q666-Q675 VanDerWaalsContact CA-O 3.23Å; Q666-Q675 WeakPolarHBondContact CA-O 3.47Å; Q666-Q675 WeakPolarHBondContact CG-O 3.23Å; Q667-Q675 PolarHBondContact N-O 2.89Å; Q667-Q675 PolarHBondContact O-N 2.9Å; Q675-Y677 HydrophobicContact CB-CE2 4.44Å; Q675-Y677 PolarHBondContact OE1-OH 2.62Å; Q675-E689 CarbonylContact C-O 3.52Å; Q675-E689 WeakPolarHBondContact CA-O 3.38Å; Q675-D690 HydrophobicContact CG-CB 3.99Å; Q675-D690 PolarHBondContact NE2-OD2 2.91Å
676	R	97.3	Very high	93.2	Very high	103 Å²	103	59.5 Å²	59.5	39%	0.389	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.3	175.1	-61.6	-178.6	-178.5	97.8	7	111.1	I665 Q666 T674 S688 E689	I665-R676 CarbonylContact O-C 3.57Å; I665-R676 VanDerWaalsContact O-CA 3.29Å; I665-R676 WeakPolarHBondContact O-CA 3.47Å; Q666-R676 HydrophobicContact CB-CG 4.34Å; Q666-R676 HydrophobicContact CG-CG 4.06Å; T674-R676 HydrophobicContact CG2-CG 4.36Å; R676-S688 CarbonylContact O-C 3.6Å; R676-S688 VanDerWaalsContact O-CA 3.27Å; R676-S688 WeakPolarHBondContact O-CA 3.4Å; R676-E689 HydrophobicContact CB-CB 4.29Å; R676-E689 PolarHBondContact N-O 3.14Å; R676-E689 IonicContact NH1-OE1 2.84Å; R676-E689 PolarHBondContact NH1-OE1 3.27Å; R676-E689 PolarHBondContact O-N 3.09Å
677	Y	96.8	Very high	93.1	Very high	14 Å²	14	58.9 Å²	58.9	6%	0.055	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.3	-177.2	-52.5	-71.7	0	0	0	110.9	L664 I665 Q675 L685 Q687 S688	L664-Y677 HydrophobicContact CD2-CD2 4.19Å; L664-Y677 HydrophobicContact CD2-CE2 3.74Å; L664-Y677 HydrophobicContact CG-CD2 4.04Å; L664-Y677 HydrophobicContact CG-CE2 4.06Å; L664-Y677 WeakPolarHBondContact O-CB 3.33Å; L664-Y677 WeakPolarHBondContact O-CD2 3.38Å; I665-Y677 PolarHBondContact O-N 2.62Å; Q675-Y677 HydrophobicContact CB-CE2 4.44Å; Q675-Y677 PolarHBondContact OE1-OH 2.62Å; Y677-L685 HydrophobicContact CD1-CD1 3.84Å; Y677-L685 HydrophobicContact CG-CD1 4.15Å; Y677-Q687 CarbonylContact C-O 3.53Å; Y677-Q687 WeakPolarHBondContact CA-O 3.47Å; Y677-S688 WeakPolarHBondContact CE1-OG 3.33Å
678	R	96.5	Very high	93.1	Very high	150 Å²	150	58.3 Å²	58.3	57%	0.566	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.2	169.1	-51.7	-166.4	-177	-179.6	-4	110.7	L685 T686 Q687	R678-L685 CarbonylContact O-C 3.52Å; R678-T686 PolarHBondContact O-N 3.21Å; R678-T686 PolarHBondContact O-OG1 2.8Å; R678-Q687 HydrophobicContact CB-CB 3.96Å; R678-Q687 HydrophobicContact CG-CB 4.14Å; R678-Q687 PolarHBondContact N-O 2.72Å; R678-Q687 PolarHBondContact O-N 2.96Å
679	Y	95.2	Very high	93	Very high	52 Å²	52	55.7 Å²	55.7	20%	0.204	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	152.6	-178.2	-56.9	-88	0	0	0	110.8	R663 L664 I665 G683 K684 L685	R663-Y679 HydrophobicContact CB-CD2 3.86Å; R663-Y679 HydrophobicContact CB-CE2 3.58Å; R663-Y679 HydrophobicContact CB-CG 4.47Å; L664-Y679 WeakPolarHBondContact O-CE2 3.25Å; L664-Y679 PolarHBondContact O-OH 3.14Å; I665-Y679 HydrophobicContact CG2-CE2 4.36Å; Y679-G683 WeakPolarHBondContact CD1-O 3.47Å; Y679-K684 CarbonylContact C-O 3.5Å; Y679-K684 WeakPolarHBondContact CA-O 3.33Å; Y679-L685 HydrophobicContact CD1-CB 4.29Å; Y679-L685 HydrophobicContact CD1-CD1 4.44Å; Y679-L685 HydrophobicContact CE1-CB 4.13Å; Y679-L685 HydrophobicContact CE1-CD1 4.01Å
680	D	91.7	Very high	92.9	Very high	41 Å²	41	57 Å²	57	22%	0.219	28%	0.283	C	S	.	.			trans	-78.4	178.2	166.4	69.7	18.7	0	0	0	112.2	R663 T682 G683 K684 T686	R663-D680 PolarHBondContact NH1-O 2.85Å; D680-T682 PolarHBondContact O-N 3.06Å; D680-T682 VanDerWaalsContact O-N 3.14Å; D680-T682 VanDerWaalsContact OD1-CA 3.32Å; D680-T682 WeakPolarHBondContact OD1-CA 3.14Å; D680-T682 WeakPolarHBondContact OD1-CB 3.42Å; D680-T682 PolarHBondContact OD1-N 3.29Å; D680-T682 PolarHBondContact OD1-OG1 2.87Å; D680-T682 PolarHBondContact OD2-OG1 2.89Å; D680-G683 PolarHBondContact O-N 2.98Å; D680-G683 VanDerWaalsContact O-N 3.1Å; D680-G683 PolarHBondContact OD1-N 2.85Å; D680-K684 PolarHBondContact N-O 3.32Å; D680-K684 PolarHBondContact OD1-N 2.54Å; D680-K684 IonicContact OD1-NZ 2.75Å; D680-K684 WeakPolarHBondContact OD2-CE 3.32Å; D680-K684 IonicContact OD2-NZ 3.46Å; D680-K684 PolarHBondContact OD2-NZ 3.47Å; D680-T686 HydrophobicContact CB-CG2 3.81Å
681	L	87.9	Confident	92.6	Very high	102 Å²	102	57.9 Å²	57.9	53%	0.534	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.2	178.1	-65.7	170.9	0	0	0	113.4	A437	A437-L681 HydrophobicContact CB-CB 4.04Å; A437-L681 VanDerWaalsContact CB-O 3.25Å; A437-L681 WeakPolarHBondContact CB-O 3.43Å
682	T	89.2	Confident	92.2	Very high	45 Å²	45	54.8 Å²	54.8	28%	0.276	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-2.3	179.4	67.3	0	0	0	0	112.9	A438 D680 K684	A438-T682 HydrophobicContact CB-CG2 3.58Å; D680-T682 PolarHBondContact O-N 3.06Å; D680-T682 VanDerWaalsContact O-N 3.14Å; D680-T682 VanDerWaalsContact OD1-CA 3.32Å; D680-T682 WeakPolarHBondContact OD1-CA 3.14Å; D680-T682 WeakPolarHBondContact OD1-CB 3.42Å; D680-T682 PolarHBondContact OD1-N 3.29Å; D680-T682 PolarHBondContact OD1-OG1 2.87Å; D680-T682 PolarHBondContact OD2-OG1 2.89Å; T682-K684 PolarHBondContact OG1-NZ 3.17Å
683	G	90.8	Very high	92.3	Very high	33 Å²	33	56.9 Å²	56.9	34%	0.34	29%	0.286	S	S	.	.	S	Bend	trans	92.6	6.6	179.6	0	0	0	0	0	115.5	Y679 D680	Y679-G683 WeakPolarHBondContact CD1-O 3.47Å; D680-G683 PolarHBondContact O-N 2.98Å; D680-G683 VanDerWaalsContact O-N 3.1Å; D680-G683 PolarHBondContact OD1-N 2.85Å
684	K	90.6	Very high	92.3	Very high	35 Å²	35	54 Å²	54	15%	0.152	28%	0.279	C	S	.	.			trans	-86	142.4	179.6	-61.7	-168.6	-52.6	-64.9	0	111.8	Y679 D680 T682 T686 Y699 D703	Y679-K684 CarbonylContact C-O 3.5Å; Y679-K684 WeakPolarHBondContact CA-O 3.33Å; D680-K684 PolarHBondContact N-O 3.32Å; D680-K684 PolarHBondContact OD1-N 2.54Å; D680-K684 IonicContact OD1-NZ 2.75Å; D680-K684 WeakPolarHBondContact OD2-CE 3.32Å; D680-K684 IonicContact OD2-NZ 3.46Å; D680-K684 PolarHBondContact OD2-NZ 3.47Å; T682-K684 PolarHBondContact OG1-NZ 3.17Å; K684-T686 PolarHBondContact O-N 3.02Å; K684-Y699 HydrophobicContact CB-CE2 4.06Å; K684-Y699 HydrophobicContact CD-CD1 3.86Å; K684-Y699 HydrophobicContact CD-CD2 4.41Å; K684-Y699 HydrophobicContact CD-CE1 3.95Å; K684-Y699 HydrophobicContact CD-CG 4.1Å; K684-D703 HydrophobicContact CD-CB 3.86Å; K684-D703 WeakPolarHBondContact CD-OD1 3.45Å; K684-D703 WeakPolarHBondContact CE-OD1 3.29Å; K684-D703 IonicContact NZ-OD1 3.96Å; K684-D703 PolarHBondContact NZ-OD1 2.99Å
685	L	93.8	Very high	92.3	Very high	27 Å²	27	54.3 Å²	54.3	14%	0.141	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	112.1	177.7	-178.3	69.2	0	0	0	110.5	Y677 R678 Y679 Q687 W697 Y699 L757	Y677-L685 HydrophobicContact CD1-CD1 3.84Å; Y677-L685 HydrophobicContact CG-CD1 4.15Å; R678-L685 CarbonylContact O-C 3.52Å; Y679-L685 HydrophobicContact CD1-CB 4.29Å; Y679-L685 HydrophobicContact CD1-CD1 4.44Å; Y679-L685 HydrophobicContact CE1-CB 4.13Å; Y679-L685 HydrophobicContact CE1-CD1 4.01Å; L685-Q687 WeakPolarHBondContact CD1-O 2.99Å; L685-W697 HydrophobicContact CD1-CZ3 4.42Å; L685-W697 HydrophobicContact CD2-CE3 4.03Å; L685-W697 HydrophobicContact CD2-CH2 3.64Å; L685-W697 HydrophobicContact CD2-CZ2 4.36Å; L685-W697 HydrophobicContact CD2-CZ3 3.43Å; L685-W697 VanDerWaalsContact CD2-CZ3 3.43Å; L685-W697 HydrophobicContact CG-CE3 3.88Å; L685-W697 HydrophobicContact CG-CH2 4.32Å; L685-W697 HydrophobicContact CG-CZ3 3.6Å; L685-Y699 WeakPolarHBondContact O-CE2 3.37Å; L685-Y699 PolarHBondContact O-OH 3.3Å; L685-L757 HydrophobicContact CD2-CD2 4.42Å
686	T	94.4	Very high	92.3	Very high	39 Å²	39	54.9 Å²	54.9	24%	0.239	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-21.7	179.5	51.4	0	0	0	0	113.1	R678 D680 K684 L696 W697 Y699	R678-T686 PolarHBondContact O-N 3.21Å; R678-T686 PolarHBondContact O-OG1 2.8Å; D680-T686 HydrophobicContact CB-CG2 3.81Å; K684-T686 PolarHBondContact O-N 3.02Å; T686-L696 WeakPolarHBondContact O-CA 3.4Å; T686-W697 PolarHBondContact O-N 2.92Å; T686-Y699 HydrophobicContact CG2-CE2 4.39Å
687	Q	95.7	Very high	92.1	Very high	31 Å²	31	51.7 Å²	51.7	15%	0.145	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	139.8	-179.4	-173.5	177.1	1.4	0	0	111.5	Y677 R678 L685 I694 T695 L696	Y677-Q687 CarbonylContact C-O 3.53Å; Y677-Q687 WeakPolarHBondContact CA-O 3.47Å; R678-Q687 HydrophobicContact CB-CB 3.96Å; R678-Q687 HydrophobicContact CG-CB 4.14Å; R678-Q687 PolarHBondContact N-O 2.72Å; R678-Q687 PolarHBondContact O-N 2.96Å; L685-Q687 WeakPolarHBondContact CD1-O 2.99Å; Q687-I694 HydrophobicContact CG-CG2 4.17Å; Q687-T695 CarbonylContact C-O 3.53Å; Q687-T695 VanDerWaalsContact CA-O 3.29Å; Q687-T695 WeakPolarHBondContact CA-O 3.33Å; Q687-L696 HydrophobicContact CB-CD2 3.72Å; Q687-L696 HydrophobicContact CG-CD2 3.64Å
688	S	95.6	Very high	91.9	Very high	16 Å²	16	54.7 Å²	54.7	11%	0.112	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.6	165.5	-177.5	0	0	0	0	108.9	R676 Y677 I694 T695 W697	R676-S688 CarbonylContact O-C 3.6Å; R676-S688 VanDerWaalsContact O-CA 3.27Å; R676-S688 WeakPolarHBondContact O-CA 3.4Å; Y677-S688 WeakPolarHBondContact CE1-OG 3.33Å; S688-I694 CarbonylContact O-C 3.53Å; S688-I694 WeakPolarHBondContact O-CA 3.34Å; S688-T695 PolarHBondContact N-O 2.9Å; S688-T695 PolarHBondContact O-N 3.36Å; S688-W697 VanDerWaalsContact CB-CH2 3.44Å; S688-W697 VanDerWaalsContact CB-CZ3 3.5Å
689	E	95.3	Very high	91.5	Very high	50 Å²	50	50.5 Å²	50.5	23%	0.234	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.9	175.8	-179.4	-168.7	149.1	0	0	108.2	Q675 R676 L693 I694	Q675-E689 CarbonylContact C-O 3.52Å; Q675-E689 WeakPolarHBondContact CA-O 3.38Å; R676-E689 HydrophobicContact CB-CB 4.29Å; R676-E689 PolarHBondContact N-O 3.14Å; R676-E689 IonicContact NH1-OE1 2.84Å; R676-E689 PolarHBondContact NH1-OE1 3.27Å; R676-E689 PolarHBondContact O-N 3.09Å; E689-L693 CarbonylContact C-O 3.58Å; E689-L693 WeakPolarHBondContact CA-O 3.33Å; E689-I694 HydrophobicContact CG-CG1 4.22Å
690	D	90.7	Very high	91.1	Very high	41 Å²	41	49.7 Å²	49.7	22%	0.219	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	104.5	177.2	-178.4	-16.4	0	0	0	109.1	R673 Q675 G692 L693	R673-D690 IonicContact CZ-OD1 3.46Å; R673-D690 IonicContact NE-OD1 2.98Å; R673-D690 IonicContact NH2-OD1 3.31Å; R673-D690 PolarHBondContact NH2-OD1 3.39Å; Q675-D690 HydrophobicContact CG-CB 3.99Å; Q675-D690 PolarHBondContact NE2-OD2 2.91Å; D690-G692 PolarHBondContact O-N 2.87Å; D690-G692 VanDerWaalsContact O-N 3.11Å; D690-L693 PolarHBondContact N-O 3.29Å; D690-L693 VanDerWaalsContact O-CB 3.28Å; D690-L693 WeakPolarHBondContact O-CB 3.36Å; D690-L693 PolarHBondContact O-N 2.78Å
691	E	84.5	Confident	90.4	Very high	110 Å²	110	50.5 Å²	50.5	51%	0.514	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	45	177.5	-65.3	-60.1	138.3	0	0	113.7	R673 T674	R673-E691 WeakPolarHBondContact CA-OE1 3.48Å; R673-E691 HydrophobicContact CB-CG 4Å; R673-E691 HydrophobicContact CG-CG 4.01Å; T674-E691 PolarHBondContact N-OE1 3.28Å
692	G	82.3	Confident	90	Very high	50 Å²	50	46.8 Å²	46.8	52%	0.515	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-9.6	-179.4	0	0	0	0	0	115.3	D690 I694 N711	D690-G692 PolarHBondContact O-N 2.87Å; D690-G692 VanDerWaalsContact O-N 3.11Å; G692-I694 PolarHBondContact O-N 2.75Å; G692-N711 PolarHBondContact O-OD1 2.79Å
693	L	88.9	Confident	89.7	Confident	79 Å²	79	47.8 Å²	47.8	41%	0.414	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	108.6	168.3	-168	152	0	0	0	109.5	E689 D690 T695 V710 N711	E689-L693 CarbonylContact C-O 3.58Å; E689-L693 WeakPolarHBondContact CA-O 3.33Å; D690-L693 PolarHBondContact N-O 3.29Å; D690-L693 VanDerWaalsContact O-CB 3.28Å; D690-L693 WeakPolarHBondContact O-CB 3.36Å; D690-L693 PolarHBondContact O-N 2.78Å; L693-T695 VanDerWaalsContact CD2-OG1 3.29Å; L693-T695 WeakPolarHBondContact CD2-OG1 3.27Å; L693-V710 HydrophobicContact CD1-CG1 4.13Å; L693-V710 HydrophobicContact CD2-CG1 3.81Å; L693-V710 HydrophobicContact CG-CG1 3.82Å; L693-N711 WeakPolarHBondContact CA-OD1 3.42Å
694	I	92.7	Very high	89.4	Confident	61 Å²	61	49 Å²	49	31%	0.313	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115	178.8	-59.7	173.6	0	0	0	109.3	Q687 S688 E689 G692 L696 V710 N711	Q687-I694 HydrophobicContact CG-CG2 4.17Å; S688-I694 CarbonylContact O-C 3.53Å; S688-I694 WeakPolarHBondContact O-CA 3.34Å; E689-I694 HydrophobicContact CG-CG1 4.22Å; G692-I694 PolarHBondContact O-N 2.75Å; I694-L696 HydrophobicContact CG2-CG 4.33Å; I694-V710 CarbonylContact O-C 3.57Å; I694-V710 WeakPolarHBondContact O-CA 3.17Å; I694-N711 PolarHBondContact N-OD1 2.83Å; I694-N711 PolarHBondContact O-N 2.92Å
695	T	93.2	Very high	89.3	Confident	16 Å²	16	49.7 Å²	49.7	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.8	172.4	-60	0	0	0	0	109.9	Q687 S688 L693 W697 R708 T709	Q687-T695 CarbonylContact C-O 3.53Å; Q687-T695 VanDerWaalsContact CA-O 3.29Å; Q687-T695 WeakPolarHBondContact CA-O 3.33Å; S688-T695 PolarHBondContact N-O 2.9Å; S688-T695 PolarHBondContact O-N 3.36Å; L693-T695 VanDerWaalsContact CD2-OG1 3.29Å; L693-T695 WeakPolarHBondContact CD2-OG1 3.27Å; T695-W697 HydrophobicContact CG2-CD2 4.15Å; T695-W697 HydrophobicContact CG2-CE3 4.3Å; T695-W697 HydrophobicContact CG2-CH2 3.69Å; T695-W697 HydrophobicContact CG2-CZ2 3.51Å; T695-W697 HydrophobicContact CG2-CZ3 4.09Å; T695-R708 HydrophobicContact CG2-CG 3.46Å; T695-R708 VanDerWaalsContact CG2-CG 3.46Å; T695-T709 CarbonylContact C-O 3.51Å; T695-T709 VanDerWaalsContact CA-O 3.29Å; T695-T709 WeakPolarHBondContact CA-O 3.34Å
696	L	94.3	Very high	89.1	Confident	57 Å²	57	50.1 Å²	50.1	30%	0.298	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.3	174.5	-64.9	166	0	0	0	110.2	T686 Q687 I694 R708 T709	T686-L696 WeakPolarHBondContact O-CA 3.4Å; Q687-L696 HydrophobicContact CB-CD2 3.72Å; Q687-L696 HydrophobicContact CG-CD2 3.64Å; I694-L696 HydrophobicContact CG2-CG 4.33Å; L696-R708 CarbonylContact O-C 3.51Å; L696-R708 WeakPolarHBondContact O-CA 3.27Å; L696-R708 VanDerWaalsContact O-CG 3.3Å; L696-R708 WeakPolarHBondContact O-CG 3.29Å; L696-T709 PolarHBondContact N-O 2.78Å; L696-T709 PolarHBondContact O-N 2.98Å
697	W	93.3	Very high	88.9	Confident	36 Å²	36	51.2 Å²	51.2	14%	0.136	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.2	173.6	-64.6	-91.9	0	0	0	110.7	L685 T686 S688 T695 Y699 R708	L685-W697 HydrophobicContact CD1-CZ3 4.42Å; L685-W697 HydrophobicContact CD2-CE3 4.03Å; L685-W697 HydrophobicContact CD2-CH2 3.64Å; L685-W697 HydrophobicContact CD2-CZ2 4.36Å; L685-W697 HydrophobicContact CD2-CZ3 3.43Å; L685-W697 VanDerWaalsContact CD2-CZ3 3.43Å; L685-W697 HydrophobicContact CG-CE3 3.88Å; L685-W697 HydrophobicContact CG-CH2 4.32Å; L685-W697 HydrophobicContact CG-CZ3 3.6Å; T686-W697 PolarHBondContact O-N 2.92Å; S688-W697 VanDerWaalsContact CB-CH2 3.44Å; S688-W697 VanDerWaalsContact CB-CZ3 3.5Å; T695-W697 HydrophobicContact CG2-CD2 4.15Å; T695-W697 HydrophobicContact CG2-CE3 4.3Å; T695-W697 HydrophobicContact CG2-CH2 3.69Å; T695-W697 HydrophobicContact CG2-CZ2 3.51Å; T695-W697 HydrophobicContact CG2-CZ3 4.09Å; W697-Y699 HydrophobicContact CB-CE2 3.83Å; W697-R708 HydrophobicContact CG-CG 4.32Å
698	H	92.6	Very high	88.7	Confident	77 Å²	77	51.2 Å²	51.2	36%	0.356	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.9	177.2	-64.6	-103.7	0	0	0	109.5	I705 T706 H707	H698-I705 CarbonylContact O-C 3.46Å; H698-I705 WeakPolarHBondContact O-CA 3.3Å; H698-T706 PolarHBondContact O-N 2.86Å; H698-T706 PolarHBondContact O-OG1 2.75Å; H698-H707 AromaticContact CD2-CE1 3.04Å; H698-H707 PolarHBondContact CD2-CE1 2.64Å; H698-H707 AromaticContact CD2-ND1 3.3Å; H698-H707 PolarHBondContact CD2-ND1 3.31Å; H698-H707 VanDerWaalsContact CD2-ND1 3.3Å; H698-H707 AromaticContact CD2-NE2 3.97Å; H698-H707 AromaticContact CE1-CE1 3.79Å; H698-H707 AromaticContact CG-CE1 3.14Å; H698-H707 AromaticContact CG-ND1 3.67Å; H698-H707 AromaticContact CG-NE2 3.63Å; H698-H707 PolarHBondContact N-O 3.37Å; H698-H707 AromaticContact ND1-CE1 3.63Å; H698-H707 AromaticContact ND1-NE2 3.99Å; H698-H707 AromaticContact NE2-CE1 3.46Å; H698-H707 PolarHBondContact NE2-CE1 2.9Å
699	Y	89.8	Confident	88.5	Confident	62 Å²	62	51.2 Å²	51.2	24%	0.243	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	149.2	-176.5	-58.6	-91.8	0	0	0	110.3	K684 L685 T686 W697 R704 I705	K684-Y699 HydrophobicContact CB-CE2 4.06Å; K684-Y699 HydrophobicContact CD-CD1 3.86Å; K684-Y699 HydrophobicContact CD-CD2 4.41Å; K684-Y699 HydrophobicContact CD-CE1 3.95Å; K684-Y699 HydrophobicContact CD-CG 4.1Å; L685-Y699 WeakPolarHBondContact O-CE2 3.37Å; L685-Y699 PolarHBondContact O-OH 3.3Å; T686-Y699 HydrophobicContact CG2-CE2 4.39Å; W697-Y699 HydrophobicContact CB-CE2 3.83Å; Y699-R704 CarbonylContact C-O 3.56Å; Y699-R704 WeakPolarHBondContact CA-O 3.38Å; Y699-I705 HydrophobicContact CD1-CG1 3.87Å; Y699-I705 HydrophobicContact CE1-CB 4.47Å; Y699-I705 HydrophobicContact CE1-CD1 4.3Å; Y699-I705 HydrophobicContact CE1-CG1 3.38Å
700	D	86.1	Confident	88.1	Confident	36 Å²	36	50.6 Å²	50.6	19%	0.193	27%	0.273	C	S	.	.			trans	-83.8	-177.8	168.6	66.9	15.3	0	0	0	112.3	S702 D703 R704 T706	D700-S702 PolarHBondContact O-N 2.91Å; D700-S702 WeakPolarHBondContact OD1-CA 3.33Å; D700-S702 WeakPolarHBondContact OD1-CB 3.49Å; D700-S702 PolarHBondContact OD1-N 3.04Å; D700-D703 PolarHBondContact O-N 2.69Å; D700-D703 PolarHBondContact OD1-N 3.19Å; D700-R704 PolarHBondContact N-O 3.26Å; D700-R704 WeakPolarHBondContact OD1-CB 3.34Å; D700-R704 PolarHBondContact OD1-N 2.83Å; D700-R704 IonicContact OD1-NE 3.41Å; D700-R704 IonicContact OD2-CZ 3.71Å; D700-R704 IonicContact OD2-NE 3.21Å; D700-R704 PolarHBondContact OD2-NE 2.83Å; D700-R704 IonicContact OD2-NH2 2.75Å; D700-R704 PolarHBondContact OD2-NH2 3.27Å; D700-T706 HydrophobicContact CB-CG2 3.68Å
701	A	77.6	Confident	88.1	Confident	58 Å²	58	53.3 Å²	53.3	48%	0.479	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.7	178.6	0	0	0	0	0	113.8	R440	R440-A701 WeakPolarHBondContact CD-O 3.42Å; R440-A701 PolarHBondContact NH1-O 3.18Å
702	S	78.1	Confident	88.1	Confident	24 Å²	24	50.6 Å²	50.6	17%	0.168	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	14.6	-175.5	-39.9	0	0	0	0	112.7	D460 D700 R704	D460-S702 VanDerWaalsContact CB-OG 3.27Å; D460-S702 WeakPolarHBondContact CB-OG 3.36Å; D460-S702 WeakPolarHBondContact OD2-CB 3.2Å; D460-S702 PolarHBondContact OD2-OG 2.52Å; D700-S702 PolarHBondContact O-N 2.91Å; D700-S702 WeakPolarHBondContact OD1-CA 3.33Å; D700-S702 WeakPolarHBondContact OD1-CB 3.49Å; D700-S702 PolarHBondContact OD1-N 3.04Å; S702-R704 PolarHBondContact O-N 2.93Å
703	D	82.7	Confident	88.3	Confident	66 Å²	66	54.8 Å²	54.8	35%	0.353	30%	0.295	S	S	.	.	S	Bend	trans	63.8	20.9	-177.3	-69.4	-31.6	0	0	0	115.4	R440 K684 D700	R440-D703 IonicContact CZ-OD1 2.83Å; R440-D703 VanDerWaalsContact CZ-OD1 3.22Å; R440-D703 IonicContact CZ-OD2 2.75Å; R440-D703 IonicContact NH1-OD1 2.63Å; R440-D703 PolarHBondContact NH1-OD1 3.34Å; R440-D703 IonicContact NH1-OD2 2.85Å; R440-D703 PolarHBondContact NH1-OD2 3.1Å; R440-D703 VanDerWaalsContact NH2-CG 3.27Å; R440-D703 IonicContact NH2-OD1 3.9Å; R440-D703 PolarHBondContact NH2-OD1 3.26Å; R440-D703 IonicContact NH2-OD2 3.33Å; R440-D703 PolarHBondContact NH2-OD2 2.8Å; K684-D703 HydrophobicContact CD-CB 3.86Å; K684-D703 WeakPolarHBondContact CD-OD1 3.45Å; K684-D703 WeakPolarHBondContact CE-OD1 3.29Å; K684-D703 IonicContact NZ-OD1 3.96Å; K684-D703 PolarHBondContact NZ-OD1 2.99Å; D700-D703 PolarHBondContact O-N 2.69Å; D700-D703 PolarHBondContact OD1-N 3.19Å
704	R	85.8	Confident	88.1	Confident	58 Å²	58	53.9 Å²	53.9	22%	0.219	29%	0.294	C	S	.	.			trans	-90.6	137.6	174.6	-55.7	176	-63.3	-172.8	0.9	110.1	Y699 D700 S702 T706 Y720	Y699-R704 CarbonylContact C-O 3.56Å; Y699-R704 WeakPolarHBondContact CA-O 3.38Å; D700-R704 PolarHBondContact N-O 3.26Å; D700-R704 WeakPolarHBondContact OD1-CB 3.34Å; D700-R704 PolarHBondContact OD1-N 2.83Å; D700-R704 IonicContact OD1-NE 3.41Å; D700-R704 IonicContact OD2-CZ 3.71Å; D700-R704 IonicContact OD2-NE 3.21Å; D700-R704 PolarHBondContact OD2-NE 2.83Å; D700-R704 IonicContact OD2-NH2 2.75Å; D700-R704 PolarHBondContact OD2-NH2 3.27Å; S702-R704 PolarHBondContact O-N 2.93Å; R704-T706 PolarHBondContact O-N 2.87Å; R704-Y720 HydrophobicContact CB-CD2 4.31Å; R704-Y720 HydrophobicContact CB-CE1 4.41Å; R704-Y720 HydrophobicContact CB-CE2 3.67Å
705	I	88.2	Confident	87.7	Confident	50 Å²	50	52 Å²	52	26%	0.256	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.1	176	-59.7	170.2	0	0	0	108.4	H698 Y699 W718 Y720	H698-I705 CarbonylContact O-C 3.46Å; H698-I705 WeakPolarHBondContact O-CA 3.3Å; Y699-I705 HydrophobicContact CD1-CG1 3.87Å; Y699-I705 HydrophobicContact CE1-CB 4.47Å; Y699-I705 HydrophobicContact CE1-CD1 4.3Å; Y699-I705 HydrophobicContact CE1-CG1 3.38Å; I705-W718 HydrophobicContact CG2-CD2 4.12Å; I705-W718 HydrophobicContact CG2-CE3 3.57Å; I705-W718 HydrophobicContact CG2-CH2 4.19Å; I705-W718 HydrophobicContact CG2-CZ3 3.62Å; I705-W718 WeakPolarHBondContact O-CB 3.17Å; I705-Y720 VanDerWaalsContact O-CE2 3.23Å; I705-Y720 WeakPolarHBondContact O-CE2 3.26Å; I705-Y720 PolarHBondContact O-OH 2.88Å
706	T	89.9	Confident	87.3	Confident	35 Å²	35	53.2 Å²	53.2	22%	0.215	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-41.4	179	54.5	0	0	0	0	111.8	H698 D700 R704 Q717 W718	H698-T706 PolarHBondContact O-N 2.86Å; H698-T706 PolarHBondContact O-OG1 2.75Å; D700-T706 HydrophobicContact CB-CG2 3.68Å; R704-T706 PolarHBondContact O-N 2.87Å; T706-Q717 WeakPolarHBondContact O-CG 3.43Å; T706-W718 PolarHBondContact O-N 3.35Å; T706-W718 VanDerWaalsContact O-O 3.09Å
707	H	89.1	Confident	87	Confident	62 Å²	62	53 Å²	53	29%	0.287	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	163.2	172.4	65.7	77.4	0	0	0	111.7	H698 E716 Q717	H698-H707 AromaticContact CD2-CE1 3.04Å; H698-H707 PolarHBondContact CD2-CE1 2.64Å; H698-H707 AromaticContact CD2-ND1 3.3Å; H698-H707 PolarHBondContact CD2-ND1 3.31Å; H698-H707 VanDerWaalsContact CD2-ND1 3.3Å; H698-H707 AromaticContact CD2-NE2 3.97Å; H698-H707 AromaticContact CE1-CE1 3.79Å; H698-H707 AromaticContact CG-CE1 3.14Å; H698-H707 AromaticContact CG-ND1 3.67Å; H698-H707 AromaticContact CG-NE2 3.63Å; H698-H707 PolarHBondContact N-O 3.37Å; H698-H707 AromaticContact ND1-CE1 3.63Å; H698-H707 AromaticContact ND1-NE2 3.99Å; H698-H707 AromaticContact NE2-CE1 3.46Å; H698-H707 PolarHBondContact NE2-CE1 2.9Å; H707-E716 CarbonylContact C-O 3.59Å; H707-E716 VanDerWaalsContact CA-O 3.26Å; H707-E716 WeakPolarHBondContact CA-O 3.32Å; H707-E716 WeakPolarHBondContact CB-O 3.23Å; H707-Q717 HydrophobicContact CB-CB 4.18Å; H707-Q717 HydrophobicContact CB-CG 4.21Å
708	R	91.2	Very high	86.8	Confident	31 Å²	31	52.4 Å²	52.4	12%	0.117	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.1	176.3	-171.7	-171.1	80	-153.7	-12.5	109.6	T695 L696 W697 A715 E716 W718 Q755	T695-R708 HydrophobicContact CG2-CG 3.46Å; T695-R708 VanDerWaalsContact CG2-CG 3.46Å; L696-R708 CarbonylContact O-C 3.51Å; L696-R708 WeakPolarHBondContact O-CA 3.27Å; L696-R708 VanDerWaalsContact O-CG 3.3Å; L696-R708 WeakPolarHBondContact O-CG 3.29Å; W697-R708 HydrophobicContact CG-CG 4.32Å; R708-A715 PolarHBondContact O-N 2.89Å; R708-E716 VanDerWaalsContact CZ-CD 3.44Å; R708-E716 IonicContact CZ-OE1 2.76Å; R708-E716 IonicContact CZ-OE2 2.79Å; R708-E716 VanDerWaalsContact CZ-OE2 3.25Å; R708-E716 PolarHBondContact N-O 2.88Å; R708-E716 IonicContact NH1-OE1 2.84Å; R708-E716 PolarHBondContact NH1-OE1 3.36Å; R708-E716 IonicContact NH1-OE2 3.94Å; R708-E716 PolarHBondContact NH1-OE2 2.96Å; R708-E716 IonicContact NH2-OE1 3.74Å; R708-E716 PolarHBondContact NH2-OE1 3.24Å; R708-E716 IonicContact NH2-OE2 3.43Å; R708-E716 PolarHBondContact NH2-OE2 2.93Å; R708-E716 PolarHBondContact O-N 2.84Å; R708-W718 HydrophobicContact CB-CH2 4.04Å; R708-W718 HydrophobicContact CB-CZ3 3.82Å; R708-Q755 VanDerWaalsContact NH1-CD 3.31Å
709	T	91	Very high	86.5	Confident	16 Å²	16	54.3 Å²	54.3	10%	0.098	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150.1	171.4	66.6	0	0	0	0	110.1	T695 L696 E713	T695-T709 CarbonylContact C-O 3.51Å; T695-T709 VanDerWaalsContact CA-O 3.29Å; T695-T709 WeakPolarHBondContact CA-O 3.34Å; L696-T709 PolarHBondContact N-O 2.78Å; L696-T709 PolarHBondContact O-N 2.98Å; T709-E713 CarbonylContact C-O 3.58Å; T709-E713 WeakPolarHBondContact CA-O 3.34Å; T709-E713 WeakPolarHBondContact CB-O 3.28Å
710	V	88.7	Confident	86.1	Confident	38 Å²	38	54.4 Å²	54.4	23%	0.23	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.7	174.6	176.7	0	0	0	0	107.5	L693 I694 G712 E713 A715	L693-V710 HydrophobicContact CD1-CG1 4.13Å; L693-V710 HydrophobicContact CD2-CG1 3.81Å; L693-V710 HydrophobicContact CG-CG1 3.82Å; I694-V710 CarbonylContact O-C 3.57Å; I694-V710 WeakPolarHBondContact O-CA 3.17Å; V710-G712 PolarHBondContact O-N 3.25Å; V710-E713 PolarHBondContact N-O 2.9Å; V710-E713 PolarHBondContact O-N 3.14Å; V710-A715 HydrophobicContact CB-CB 4.24Å; V710-A715 HydrophobicContact CG2-CB 3.7Å
711	N	89.4	Confident	85.9	Confident	97 Å²	97	54.9 Å²	54.9	52%	0.519	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	35	-172.9	-67.1	-15.3	0	0	0	113.6	G692 L693 I694 E713	G692-N711 PolarHBondContact O-OD1 2.79Å; L693-N711 WeakPolarHBondContact CA-OD1 3.42Å; I694-N711 PolarHBondContact N-OD1 2.83Å; I694-N711 PolarHBondContact O-N 2.92Å; N711-E713 PolarHBondContact O-N 3.05Å
712	G	85.1	Confident	85.7	Confident	54 Å²	54	59.7 Å²	59.7	56%	0.557	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	-17.5	-178.1	0	0	0	0	0	114.5	V710	V710-G712 PolarHBondContact O-N 3.25Å
713	E	86.6	Confident	85.5	Confident	137 Å²	137	63.1 Å²	63.1	64%	0.64	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	133.5	178.1	-64.9	-57.4	139.6	0	0	110.7	T709 V710 N711 A715	T709-E713 CarbonylContact C-O 3.58Å; T709-E713 WeakPolarHBondContact CA-O 3.34Å; T709-E713 WeakPolarHBondContact CB-O 3.28Å; V710-E713 PolarHBondContact N-O 2.9Å; V710-E713 PolarHBondContact O-N 3.14Å; N711-E713 PolarHBondContact O-N 3.05Å; E713-A715 PolarHBondContact O-N 3.41Å
714	P	84.6	Confident	85.1	Confident	61 Å²	61	60.8 Å²	60.8	40%	0.396	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	127.5	175	-14	26.1	0	0	0	110	L732	P714-L732 HydrophobicContact CB-CD1 3.8Å; P714-L732 HydrophobicContact CG-CD1 4.24Å; P714-L732 WeakPolarHBondContact O-CD1 3.16Å
715	A	84.9	Confident	84.8	Confident	21 Å²	21	63.5 Å²	63.5	17%	0.174	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-55.3	-176	0	0	0	0	0	110.8	R708 V710 E713 H731 L732	R708-A715 PolarHBondContact O-N 2.89Å; V710-A715 HydrophobicContact CB-CB 4.24Å; V710-A715 HydrophobicContact CG2-CB 3.7Å; E713-A715 PolarHBondContact O-N 3.41Å; A715-H731 WeakPolarHBondContact O-CA 3.29Å; A715-H731 WeakPolarHBondContact O-CB 3.36Å; A715-L732 PolarHBondContact O-N 2.79Å
716	E	85.1	Confident	84.4	Confident	41 Å²	41	64.9 Å²	64.9	19%	0.192	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.5	-178.7	-75.1	164.3	-159.2	0	0	109.9	H707 R708 W718 S730 H731 Q755	H707-E716 CarbonylContact C-O 3.59Å; H707-E716 VanDerWaalsContact CA-O 3.26Å; H707-E716 WeakPolarHBondContact CA-O 3.32Å; H707-E716 WeakPolarHBondContact CB-O 3.23Å; R708-E716 VanDerWaalsContact CZ-CD 3.44Å; R708-E716 IonicContact CZ-OE1 2.76Å; R708-E716 IonicContact CZ-OE2 2.79Å; R708-E716 VanDerWaalsContact CZ-OE2 3.25Å; R708-E716 PolarHBondContact N-O 2.88Å; R708-E716 IonicContact NH1-OE1 2.84Å; R708-E716 PolarHBondContact NH1-OE1 3.36Å; R708-E716 IonicContact NH1-OE2 3.94Å; R708-E716 PolarHBondContact NH1-OE2 2.96Å; R708-E716 IonicContact NH2-OE1 3.74Å; R708-E716 PolarHBondContact NH2-OE1 3.24Å; R708-E716 IonicContact NH2-OE2 3.43Å; R708-E716 PolarHBondContact NH2-OE2 2.93Å; R708-E716 PolarHBondContact O-N 2.84Å; E716-W718 HydrophobicContact CB-CE3 4.33Å; E716-W718 HydrophobicContact CB-CH2 3.29Å; E716-W718 HydrophobicContact CB-CZ2 3.93Å; E716-W718 HydrophobicContact CB-CZ3 3.52Å; E716-W718 HydrophobicContact CG-CH2 4.21Å; E716-W718 WeakPolarHBondContact O-CZ3 3.42Å; E716-W718 WeakPolarHBondContact OE2-CH2 3.49Å; E716-W718 WeakPolarHBondContact OE2-CZ2 3.43Å; E716-S730 CarbonylContact C-O 3.51Å; E716-S730 VanDerWaalsContact CA-O 3.27Å; E716-S730 WeakPolarHBondContact CA-O 3.48Å; E716-H731 HydrophobicContact CG-CB 4.22Å; E716-Q755 PolarHBondContact OE2-NE2 3.21Å
717	Q	87.6	Confident	84	Confident	53 Å²	53	67.3 Å²	67.3	25%	0.248	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.5	174	-179.1	170	14.9	0	0	110	T706 H707 I729 S730	T706-Q717 WeakPolarHBondContact O-CG 3.43Å; H707-Q717 HydrophobicContact CB-CB 4.18Å; H707-Q717 HydrophobicContact CB-CG 4.21Å; Q717-I729 WeakPolarHBondContact O-CA 3.17Å; Q717-S730 PolarHBondContact N-O 2.78Å; Q717-S730 PolarHBondContact O-N 2.77Å
718	W	88.1	Confident	83.6	Confident	23 Å²	23	67.1 Å²	67.1	9%	0.087	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.1	177.5	-65.2	-102.8	0	0	0	109	I705 T706 R708 E716 Y720 L726 E728	I705-W718 HydrophobicContact CG2-CD2 4.12Å; I705-W718 HydrophobicContact CG2-CE3 3.57Å; I705-W718 HydrophobicContact CG2-CH2 4.19Å; I705-W718 HydrophobicContact CG2-CZ3 3.62Å; I705-W718 WeakPolarHBondContact O-CB 3.17Å; T706-W718 PolarHBondContact O-N 3.35Å; T706-W718 VanDerWaalsContact O-O 3.09Å; R708-W718 HydrophobicContact CB-CH2 4.04Å; R708-W718 HydrophobicContact CB-CZ3 3.82Å; E716-W718 HydrophobicContact CB-CE3 4.33Å; E716-W718 HydrophobicContact CB-CH2 3.29Å; E716-W718 HydrophobicContact CB-CZ2 3.93Å; E716-W718 HydrophobicContact CB-CZ3 3.52Å; E716-W718 HydrophobicContact CG-CH2 4.21Å; E716-W718 WeakPolarHBondContact O-CZ3 3.42Å; E716-W718 WeakPolarHBondContact OE2-CH2 3.49Å; E716-W718 WeakPolarHBondContact OE2-CZ2 3.43Å; W718-Y720 HydrophobicContact CB-CE2 4.05Å; W718-L726 HydrophobicContact CB-CD1 3.7Å; W718-L726 HydrophobicContact CG-CD1 4.02Å; W718-E728 WeakPolarHBondContact CA-O 3.05Å
719	R	86.2	Confident	82.9	Confident	118 Å²	118	67.8 Å²	67.8	45%	0.445	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.6	172.5	-69.1	-179.4	174.7	160.8	-9.9	110	L726 T727 E728	R719-L726 CarbonylContact O-C 3.5Å; R719-L726 WeakPolarHBondContact O-CA 3.27Å; R719-L726 WeakPolarHBondContact O-CD1 3.4Å; R719-T727 PolarHBondContact O-N 2.96Å; R719-T727 PolarHBondContact O-OG1 3.04Å; R719-T727 VanDerWaalsContact O-OG1 3.05Å; R719-E728 HydrophobicContact CB-CB 4.29Å; R719-E728 WeakPolarHBondContact CD-OE2 3.48Å; R719-E728 IonicContact CZ-OE2 2.99Å; R719-E728 PolarHBondContact N-O 2.96Å; R719-E728 IonicContact NE-OE2 3.82Å; R719-E728 IonicContact NH1-OE2 3.29Å; R719-E728 PolarHBondContact NH1-OE2 3.3Å
720	Y	83	Confident	82.1	Confident	63 Å²	63	67.1 Å²	67.1	25%	0.247	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	144.9	178.7	-55.1	-87.1	0	0	0	109.4	R704 I705 W718 W725 L726	R704-Y720 HydrophobicContact CB-CD2 4.31Å; R704-Y720 HydrophobicContact CB-CE1 4.41Å; R704-Y720 HydrophobicContact CB-CE2 3.67Å; I705-Y720 VanDerWaalsContact O-CE2 3.23Å; I705-Y720 WeakPolarHBondContact O-CE2 3.26Å; I705-Y720 PolarHBondContact O-OH 2.88Å; W718-Y720 HydrophobicContact CB-CE2 4.05Å; Y720-W725 CarbonylContact C-O 3.54Å; Y720-W725 WeakPolarHBondContact CA-O 3.42Å; Y720-L726 HydrophobicContact CD1-CB 4.12Å; Y720-L726 HydrophobicContact CD1-CD1 4.25Å; Y720-L726 HydrophobicContact CE1-CB 4Å; Y720-L726 HydrophobicContact CE1-CD1 3.83Å
721	N	81	Confident	81.3	Confident	47 Å²	47	68.1 Å²	68.1	25%	0.251	35%	0.352	S	S	.	.			trans	-77.7	177.6	166.8	65.2	15.5	0	0	0	111	H723 G724 W725 T727	N721-H723 PolarHBondContact O-N 2.99Å; N721-H723 WeakPolarHBondContact OD1-CA 3.19Å; N721-H723 WeakPolarHBondContact OD1-CB 3.33Å; N721-H723 PolarHBondContact OD1-N 3.17Å; N721-H723 VanDerWaalsContact OD1-N 3.14Å; N721-G724 WeakPolarHBondContact O-CA 3.16Å; N721-G724 PolarHBondContact O-N 2.82Å; N721-G724 PolarHBondContact OD1-N 2.8Å; N721-W725 PolarHBondContact N-O 2.83Å; N721-W725 PolarHBondContact OD1-N 2.7Å; N721-W725 PolarHBondContact OD1-O 3.11Å; N721-T727 HydrophobicContact CB-CG2 3.6Å
722	D	74.2	Confident	80	Confident	158 Å²	158	66.6 Å²	66.6	85%	0.845	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.2	179.7	-59.5	-26.7	0	0	0	113.4	G724	D722-G724 PolarHBondContact O-N 2.97Å
723	H	73.6	Confident	78.4	Confident	96 Å²	96	66.6 Å²	66.6	44%	0.444	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-9.1	173.3	-58.5	91.1	0	0	0	112.4	D481 N721 W725	D481-H723 HydrophobicContact CB-CB 4.1Å; D481-H723 PolarHBondContact O-CD2 2.93Å; N721-H723 PolarHBondContact O-N 2.99Å; N721-H723 WeakPolarHBondContact OD1-CA 3.19Å; N721-H723 WeakPolarHBondContact OD1-CB 3.33Å; N721-H723 PolarHBondContact OD1-N 3.17Å; N721-H723 VanDerWaalsContact OD1-N 3.14Å; H723-W725 HydrophobicContact CB-CD2 4.27Å; H723-W725 HydrophobicContact CB-CG 4.48Å
724	G	74	Confident	76.9	Confident	17 Å²	17	69 Å²	69	18%	0.175	35%	0.346	C	S	.	.	S	Bend	trans	82.9	10.5	-178.4	0	0	0	0	0	115.2	N721 D722	N721-G724 WeakPolarHBondContact O-CA 3.16Å; N721-G724 PolarHBondContact O-N 2.82Å; N721-G724 PolarHBondContact OD1-N 2.8Å; D722-G724 PolarHBondContact O-N 2.97Å
725	W	78.8	Confident	75.4	Confident	115 Å²	115	69.6 Å²	69.6	44%	0.436	36%	0.363	S	S	.	.			trans	-79.9	140.7	173.1	-57.7	-20.3	0	0	0	110.9	D481 L483 Y720 N721 H723 T727	D481-W725 HydrophobicContact CB-CZ2 3.68Å; D481-W725 PolarHBondContact OD2-NE1 3.49Å; D481-W725 VanDerWaalsContact OD2-NE1 3.09Å; L483-W725 HydrophobicContact CD1-CH2 4.38Å; L483-W725 HydrophobicContact CD1-CZ2 3.7Å; L483-W725 HydrophobicContact CG-CZ2 3.94Å; Y720-W725 CarbonylContact C-O 3.54Å; Y720-W725 WeakPolarHBondContact CA-O 3.42Å; N721-W725 PolarHBondContact N-O 2.83Å; N721-W725 PolarHBondContact OD1-N 2.7Å; N721-W725 PolarHBondContact OD1-O 3.11Å; H723-W725 HydrophobicContact CB-CD2 4.27Å; H723-W725 HydrophobicContact CB-CG 4.48Å; W725-T727 PolarHBondContact O-N 2.79Å
726	L	81	Confident	73.7	Confident	80 Å²	80	74.9 Å²	74.9	42%	0.419	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	120.1	173.5	-177.3	66	0	0	0	109.5	W718 R719 Y720 E728 I729	W718-L726 HydrophobicContact CB-CD1 3.7Å; W718-L726 HydrophobicContact CG-CD1 4.02Å; R719-L726 CarbonylContact O-C 3.5Å; R719-L726 WeakPolarHBondContact O-CA 3.27Å; R719-L726 WeakPolarHBondContact O-CD1 3.4Å; Y720-L726 HydrophobicContact CD1-CB 4.12Å; Y720-L726 HydrophobicContact CD1-CD1 4.25Å; Y720-L726 HydrophobicContact CE1-CB 4Å; Y720-L726 HydrophobicContact CE1-CD1 3.83Å; L726-E728 WeakPolarHBondContact CD1-O 3.46Å; L726-I729 HydrophobicContact CD1-CG1 4.22Å; L726-I729 HydrophobicContact CD2-CD1 3.77Å; L726-I729 HydrophobicContact CD2-CG1 3.67Å; L726-I729 HydrophobicContact CG-CG1 4.18Å
727	T	81.6	Confident	72.2	Confident	86 Å²	86	78.7 Å²	78.7	53%	0.528	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-30.7	179.9	50.2	0	0	0	0	112.9	R719 N721 W725	R719-T727 PolarHBondContact O-N 2.96Å; R719-T727 PolarHBondContact O-OG1 3.04Å; R719-T727 VanDerWaalsContact O-OG1 3.05Å; N721-T727 HydrophobicContact CB-CG2 3.6Å; W725-T727 PolarHBondContact O-N 2.79Å
728	E	79.2	Confident	70.4	Confident	58 Å²	58	81.2 Å²	81.2	27%	0.271	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	134.6	-174.8	-170.1	-178.5	-175.4	0	0	109.5	W718 R719 L726	W718-E728 WeakPolarHBondContact CA-O 3.05Å; R719-E728 HydrophobicContact CB-CB 4.29Å; R719-E728 WeakPolarHBondContact CD-OE2 3.48Å; R719-E728 IonicContact CZ-OE2 2.99Å; R719-E728 PolarHBondContact N-O 2.96Å; R719-E728 IonicContact NE-OE2 3.82Å; R719-E728 IonicContact NH1-OE2 3.29Å; R719-E728 PolarHBondContact NH1-OE2 3.3Å; L726-E728 WeakPolarHBondContact CD1-O 3.46Å
729	I	77.2	Confident	68.7	Low	44 Å²	44	83.6 Å²	83.6	23%	0.226	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.5	157.2	-49.8	177	0	0	0	105.4	Q717 L726 L740	Q717-I729 WeakPolarHBondContact O-CA 3.17Å; L726-I729 HydrophobicContact CD1-CG1 4.22Å; L726-I729 HydrophobicContact CD2-CD1 3.77Å; L726-I729 HydrophobicContact CD2-CG1 3.67Å; L726-I729 HydrophobicContact CG-CG1 4.18Å; I729-L740 HydrophobicContact CB-CB 4.35Å; I729-L740 HydrophobicContact CB-CD1 4.27Å; I729-L740 HydrophobicContact CG2-CD1 3.8Å; I729-L740 PolarHBondContact O-N 3.39Å
730	S	74.3	Confident	67	Low	2 Å²	2	82.6 Å²	82.6	1%	0.014	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	143.9	174.1	60.3	0	0	0	0	109.3	E716 Q717	E716-S730 CarbonylContact C-O 3.51Å; E716-S730 VanDerWaalsContact CA-O 3.27Å; E716-S730 WeakPolarHBondContact CA-O 3.48Å; Q717-S730 PolarHBondContact N-O 2.78Å; Q717-S730 PolarHBondContact O-N 2.77Å
731	H	71	Confident	65	Low	59 Å²	59	84.6 Å²	84.6	27%	0.273	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	158.1	171.6	71.3	-66.2	0	0	0	110.3	A715 E716 R737 E738	A715-H731 WeakPolarHBondContact O-CA 3.29Å; A715-H731 WeakPolarHBondContact O-CB 3.36Å; E716-H731 HydrophobicContact CG-CB 4.22Å; H731-R737 WeakPolarHBondContact O-CA 3.42Å; H731-E738 PolarHBondContact N-O 2.82Å; H731-E738 VanDerWaalsContact N-O 3.08Å; H731-E738 PolarHBondContact ND1-O 2.98Å; H731-E738 VanDerWaalsContact ND1-O 3.11Å; H731-E738 PolarHBondContact O-N 2.99Å
732	L	62.5	Low	63	Low	65 Å²	65	85.7 Å²	85.7	34%	0.34	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.6	171.4	-86.7	157.3	0	0	0	109.6	P714 A715 R737	P714-L732 HydrophobicContact CB-CD1 3.8Å; P714-L732 HydrophobicContact CG-CD1 4.24Å; P714-L732 WeakPolarHBondContact O-CD1 3.16Å; A715-L732 PolarHBondContact O-N 2.79Å; L732-R737 HydrophobicContact CD2-CB 4.33Å
733	S	52.7	Low	60.9	Low	55 Å²	55	89.5 Å²	89.5	39%	0.385	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.5	172	-177.6	0	0	0	0	108.8	G735 H736	S733-G735 VanDerWaalsContact C-N 3.25Å; S733-G735 PolarHBondContact O-N 2.89Å; S733-G735 VanDerWaalsContact O-N 3.13Å; S733-H736 PolarHBondContact N-O 3.05Å; S733-H736 CarbonylContact O-C 3.59Å; S733-H736 WeakPolarHBondContact O-CA 3.1Å; S733-H736 PolarHBondContact O-N 3.31Å
734	E	54.5	Low	58.8	Low	188 Å²	188	93.1 Å²	93.1	88%	0.879	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	41.5	179.2	-59.8	-169.7	167.5	0	0	114.6	H736	E734-H736 PolarHBondContact O-N 3.33Å; E734-H736 PolarHBondContact O-ND1 3.31Å
735	G	53.3	Low	56.7	Low	72 Å²	72	98 Å²	98	74%	0.742	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	-1.6	-179	0	0	0	0	0	115	S733	S733-G735 VanDerWaalsContact C-N 3.25Å; S733-G735 PolarHBondContact O-N 2.89Å; S733-G735 VanDerWaalsContact O-N 3.13Å
736	H	48	Very low	54.5	Low	133 Å²	133	97.1 Å²	97.1	62%	0.616	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	138	177.6	-64.6	70	0	0	0	110	S733 E734 E738	S733-H736 PolarHBondContact N-O 3.05Å; S733-H736 CarbonylContact O-C 3.59Å; S733-H736 WeakPolarHBondContact O-CA 3.1Å; S733-H736 PolarHBondContact O-N 3.31Å; E734-H736 PolarHBondContact O-N 3.33Å; E734-H736 PolarHBondContact O-ND1 3.31Å; H736-E738 PolarHBondContact O-N 2.8Å
737	R	53.9	Low	52.1	Low	120 Å²	120	99 Å²	99	45%	0.453	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.5	109.6	179.5	-172.2	174.5	-65.8	-163.6	-3.9	108.8	H731 L732	H731-R737 WeakPolarHBondContact O-CA 3.42Å; L732-R737 HydrophobicContact CD2-CB 4.33Å
738	E	50.2	Low	49.4	Very low	106 Å²	106	98.7 Å²	98.7	50%	0.495	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.7	120	-177	-71.7	-79.9	152.1	0	0	109	H731 H736 L740	H731-E738 PolarHBondContact N-O 2.82Å; H731-E738 VanDerWaalsContact N-O 3.08Å; H731-E738 PolarHBondContact ND1-O 2.98Å; H731-E738 VanDerWaalsContact ND1-O 3.11Å; H731-E738 PolarHBondContact O-N 2.99Å; H736-E738 PolarHBondContact O-N 2.8Å; E738-L740 PolarHBondContact O-N 2.75Å
739	P	51.9	Low	46.8	Very low	74 Å²	74	98.9 Å²	98.9	48%	0.481	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.5	130.1	169.8	25.6	-29.5	0	0	0	109.6	S741	P739-S741 VanDerWaalsContact C-N 3.34Å; P739-S741 PolarHBondContact O-N 3.43Å
740	L	51.6	Low	44.4	Very low	97 Å²	97	102.7 Å²	102.7	51%	0.508	61%	0.613	S	S	.	*			trans	-71.1	94.6	167.2	-80.1	156.8	0	0	0	107.5	I729 E738 G742	I729-L740 HydrophobicContact CB-CB 4.35Å; I729-L740 HydrophobicContact CB-CD1 4.27Å; I729-L740 HydrophobicContact CG2-CD1 3.8Å; I729-L740 PolarHBondContact O-N 3.39Å; E738-L740 PolarHBondContact O-N 2.75Å; L740-G742 PolarHBondContact O-N 2.87Å
741	S	41.1	Very low	42.1	Very low	104 Å²	104	106.7 Å²	106.7	73%	0.727	65%	0.646	S	S	*	*			trans	-70.1	79.4	176.1	-174.5	0	0	0	0	110.6	P739 R743	P739-S741 VanDerWaalsContact C-N 3.34Å; P739-S741 PolarHBondContact O-N 3.43Å; S741-R743 VanDerWaalsContact C-N 3.27Å; S741-R743 PolarHBondContact O-N 2.83Å; S741-R743 VanDerWaalsContact O-N 3.09Å
742	G	38.7	Very low	40	Very low	71 Å²	71	109.4 Å²	109.4	73%	0.732	66%	0.662	S	S	*	*			trans	-75.3	80.5	161.3	0	0	0	0	0	109.4	L740 Q744	L740-G742 PolarHBondContact O-N 2.87Å; G742-Q744 PolarHBondContact O-N 3.09Å
743	R	31	Very low	38.2	Very low	237 Å²	237	110.8 Å²	110.8	89%	0.894	67%	0.673	S	S	*	*			trans	-65.7	82.3	162.6	-102.3	-174.1	176.4	179.9	0	108.6	S741	S741-R743 VanDerWaalsContact C-N 3.27Å; S741-R743 PolarHBondContact O-N 2.83Å; S741-R743 VanDerWaalsContact O-N 3.09Å
744	Q	29.5	Very low	36.8	Very low	172 Å²	172	117.1 Å²	117.1	80%	0.804	69%	0.689	S	S	*	*			trans	-146	122.9	152.9	-111.3	175.4	-14.6	0	0	108.3	G742 A746	G742-Q744 PolarHBondContact O-N 3.09Å; Q744-A746 PolarHBondContact O-N 3.46Å
745	P	29.4	Very low	35.6	Very low	120 Å²	120	111.9 Å²	111.9	78%	0.779	66%	0.664	S	S	*	*			trans	-58.7	127.3	174.6	25.7	-31.9	0	0	0	107.9	T747	P745-T747 VanDerWaalsContact C-N 3.29Å; P745-T747 PolarHBondContact O-N 3.22Å
746	A	32.7	Very low	34.2	Very low	97 Å²	97	120 Å²	120	80%	0.802	67%	0.672	S	S	*	*			trans	-60.9	88.5	-179.8	0	0	0	0	0	110.4	Q744 G748	Q744-A746 PolarHBondContact O-N 3.46Å; A746-G748 PolarHBondContact O-N 3.17Å
747	T	29.1	Very low	33.3	Very low	118 Å²	118	117.6 Å²	117.6	72%	0.724	66%	0.664	S	S	*	*			trans	-63.7	119.8	148.4	45.2	0	0	0	0	105.7	P745 G749	P745-T747 VanDerWaalsContact C-N 3.29Å; P745-T747 PolarHBondContact O-N 3.22Å; T747-G749 PolarHBondContact O-N 2.82Å
748	G	26.4	Very low	32.1	Very low	81 Å²	81	114.5 Å²	114.5	84%	0.835	66%	0.659	S	S	*	*	S	Bend	trans	-49.5	105.8	-166.4	0	0	0	0	0	113.1	A746	A746-G748 PolarHBondContact O-N 3.17Å
749	G	24.6	Very low	31	Very low	61 Å²	61	111.7 Å²	111.7	63%	0.629	66%	0.659	S	S	*	*			trans	-162.5	103.7	176.3	0	0	0	0	0	105.9	T747 A751	T747-G749 PolarHBondContact O-N 2.82Å; G749-A751 VanDerWaalsContact C-N 3.32Å; G749-A751 PolarHBondContact O-N 3.25Å
750	V	26.8	Very low	29.7	Very low	124 Å²	124	110.7 Å²	110.7	75%	0.752	66%	0.662	S	S	*	*			trans	-51.9	106.3	167.7	179.3	0	0	0	0	105.6	N752	V750-N752 PolarHBondContact O-N 3.25Å
751	A	25.8	Very low	28.6	Very low	86 Å²	86	112.6 Å²	112.6	71%	0.711	67%	0.673	S	S	*	*			trans	-63.8	88.4	164.9	0	0	0	0	0	104.8	G749 V753	G749-A751 VanDerWaalsContact C-N 3.32Å; G749-A751 PolarHBondContact O-N 3.25Å; A751-V753 PolarHBondContact O-N 2.88Å
752	N	26	Very low	27.8	Very low	116 Å²	116	115.7 Å²	115.7	62%	0.62	68%	0.676	S	S	*	*			trans	-60.3	89.8	162.8	-76.3	-32	0	0	0	105.2	V750 W754	V750-N752 PolarHBondContact O-N 3.25Å; N752-W754 VanDerWaalsContact CB-CD1 3.46Å; N752-W754 PolarHBondContact O-N 2.92Å
753	V	25.2	Very low	27.3	Very low	94 Å²	94	117.3 Å²	117.3	57%	0.57	67%	0.672	S	S	*	*			trans	-68.4	77.3	163.9	179	0	0	0	0	105.2	A751 Q755	A751-V753 PolarHBondContact O-N 2.88Å; V753-Q755 HydrophobicContact CG1-CG 3.87Å; V753-Q755 PolarHBondContact O-N 2.86Å
754	W	24.3	Very low	27.1	Very low	189 Å²	189	109.2 Å²	109.2	72%	0.716	66%	0.661	S	S	*	*			trans	-67.4	77.7	156.8	-71.8	95.7	0	0	0	105.8	N752 R756 L757	N752-W754 VanDerWaalsContact CB-CD1 3.46Å; N752-W754 PolarHBondContact O-N 2.92Å; W754-R756 PolarHBondContact O-N 3.08Å; W754-L757 HydrophobicContact CE3-CD1 3.88Å; W754-L757 HydrophobicContact CZ3-CD1 3.56Å
755	Q	28.1	Very low	26.8	Very low	78 Å²	78	112.2 Å²	112.2	36%	0.364	67%	0.666	S	S	.	*			trans	-57.3	123.6	153.6	-90.1	171.1	16.8	0	0	105.7	R708 E716 V753 L757	R708-Q755 VanDerWaalsContact NH1-CD 3.31Å; E716-Q755 PolarHBondContact OE2-NE2 3.21Å; V753-Q755 HydrophobicContact CG1-CG 3.87Å; V753-Q755 PolarHBondContact O-N 2.86Å; Q755-L757 PolarHBondContact O-N 2.84Å
756	R	25	Very low	26.6	Very low	241 Å²	241	114.2 Å²	114.2	91%	0.909	66%	0.664	S	S	*	*			trans	-19.7	97.9	174.8	-74.2	174.8	174.1	-178.9	-2.8	112	W754 P758	W754-R756 PolarHBondContact O-N 3.08Å; R756-P758 WeakPolarHBondContact O-CD 3.49Å
757	L	27.4	Very low	26.2	Very low	84 Å²	84	113.7 Å²	113.7	44%	0.44	66%	0.66	S	S	.	*			trans	-84.4	98.8	149.3	-82.7	159.7	0	0	0	104.9	L685 W754 Q755 G759	L685-L757 HydrophobicContact CD2-CD2 4.42Å; W754-L757 HydrophobicContact CE3-CD1 3.88Å; W754-L757 HydrophobicContact CZ3-CD1 3.56Å; Q755-L757 PolarHBondContact O-N 2.84Å; L757-G759 PolarHBondContact O-N 3.11Å; L757-G759 VanDerWaalsContact O-N 3.14Å
758	P	30.1	Very low	26.1	Very low	55 Å²	55	112.8 Å²	112.8	36%	0.357	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.1	107.9	162	30.9	-27.1	0	0	0	105.3	R756	R756-P758 WeakPolarHBondContact O-CD 3.49Å
759	G	27.1	Very low	25.9	Very low	47 Å²	47	112.3 Å²	112.3	49%	0.485	66%	0.66	S	S	.	*	T	Hydrogen-bonded Turn	trans	135	-8.7	-179.3	0	0	0	0	0	115.1	L757 N761	L757-G759 PolarHBondContact O-N 3.11Å; L757-G759 VanDerWaalsContact O-N 3.14Å; G759-N761 PolarHBondContact O-N 2.96Å; G759-N761 VanDerWaalsContact O-N 3.11Å
760	G	23.5	Very low	25.9	Very low	53 Å²	53	112.5 Å²	112.5	55%	0.546	66%	0.661	S	S	.	*	S	Bend	trans	-77.3	91.4	170.2	0	0	0	0	0	111.6	E762	G760-E762 PolarHBondContact O-N 3.45Å
761	N	28.1	Very low	25.8	Very low	137 Å²	137	112.6 Å²	112.6	73%	0.733	66%	0.662	S	S	*	*			trans	25.8	85	157.9	-74.7	-12.1	0	0	0	116.9	G759 T763	G759-N761 PolarHBondContact O-N 2.96Å; G759-N761 VanDerWaalsContact O-N 3.11Å; N761-T763 PolarHBondContact O-N 3.38Å
762	E	24.3	Very low	25.8	Very low	168 Å²	168	117.7 Å²	117.7	79%	0.785	67%	0.67	S	S	*	*			trans	-74.2	0.8	153.1	-78	-169.8	165.7	0	0	112.4	G760 G764	G760-E762 PolarHBondContact O-N 3.45Å; E762-G764 PolarHBondContact O-N 3.03Å
763	T	29.9	Very low	25.9	Very low	106 Å²	106	116.6 Å²	116.6	65%	0.65	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	87	171.2	57.7	0	0	0	0	110.2	N761	N761-T763 PolarHBondContact O-N 3.38Å
764	G	25.4	Very low	25.8	Very low	66 Å²	66	115.9 Å²	115.9	68%	0.68	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	149	33.2	160.4	0	0	0	0	0	117.8	E762	E762-G764 PolarHBondContact O-N 3.03Å
765	R	23.7	Very low	25.9	Very low	236 Å²	236	115.1 Å²	115.1	89%	0.891	68%	0.684	S	S	*	*			trans	-170.3	49	154.4	-106.9	168.9	-163.5	-159.7	5.6	112.5	A767	R765-A767 VanDerWaalsContact C-N 3.34Å; R765-A767 PolarHBondContact O-N 2.84Å
766	H	24.5	Very low	25.6	Very low	161 Å²	161	118.3 Å²	118.3	75%	0.745	71%	0.709	S	S	*	*			trans	-94.8	77.3	153.7	-86.4	-70.6	0	0	0	108.7
767	A	25.9	Very low	25.7	Very low	86 Å²	86	111.3 Å²	111.3	71%	0.711	70%	0.703	S	S	*	*			trans	-95.1	134.4	142	0	0	0	0	0	106.4	R765	R765-A767 VanDerWaalsContact C-N 3.34Å; R765-A767 PolarHBondContact O-N 2.84Å
768	A	26.1	Very low	25.7	Very low	100 Å²	100	113.4 Å²	113.4	83%	0.826	72%	0.722	S	S	*	*			trans	61.1	76.5	163.1	0	0	0	0	0	117.1	G770	A768-G770 PolarHBondContact O-N 2.91Å
769	G	22.6	Very low	25.4	Very low	71 Å²	71	114.3 Å²	114.3	73%	0.732	74%	0.741	S	S	*	*			trans	-66.5	85	145.2	0	0	0	0	0	109	V771	G769-V771 PolarHBondContact O-N 2.93Å
770	G	24	Very low	25.5	Very low	64 Å²	64	120.3 Å²	120.3	66%	0.66	76%	0.761	S	S	*	*			trans	-65.4	109.7	165.2	0	0	0	0	0	108.5	A768 H772	A768-G770 PolarHBondContact O-N 2.91Å; G770-H772 PolarHBondContact O-N 3.49Å
771	V	25.1	Very low	25.5	Very low	126 Å²	126	121.1 Å²	121.1	76%	0.764	77%	0.77	S	S	*	*			trans	-66	101.2	169.2	179.3	0	0	0	0	107.2	G769 T773	G769-V771 PolarHBondContact O-N 2.93Å; V771-T773 HydrophobicContact CG1-CG2 3.99Å; V771-T773 PolarHBondContact O-N 3.17Å
772	H	26.3	Very low	25.4	Very low	193 Å²	193	118.8 Å²	118.8	89%	0.894	77%	0.77	S	S	*	*			trans	-65.9	86.9	163.1	-98.3	-66.8	0	0	0	108.3	G770 G774	G770-H772 PolarHBondContact O-N 3.49Å; H772-G774 PolarHBondContact O-N 2.87Å
773	T	27.7	Very low	25.6	Very low	94 Å²	94	119.4 Å²	119.4	58%	0.577	77%	0.772	S	S	*	*			trans	-69.9	118.2	157.5	50.9	0	0	0	0	107.6	V771 Q775	V771-T773 HydrophobicContact CG1-CG2 3.99Å; V771-T773 PolarHBondContact O-N 3.17Å; T773-Q775 PolarHBondContact O-N 3.13Å
774	G	22.5	Very low	25.6	Very low	79 Å²	79	122.2 Å²	122.2	81%	0.814	78%	0.783	S	S	*	*			trans	-55.7	122.1	179.9	0	0	0	0	0	112.5	H772	H772-G774 PolarHBondContact O-N 2.87Å
775	Q	26.5	Very low	25.6	Very low	172 Å²	172	130.7 Å²	130.7	80%	0.804	79%	0.794	S	S	*	*			trans	-112.6	108.9	152.3	-84.9	-173.1	-11.4	0	0	107.4	T773 A777	T773-Q775 PolarHBondContact O-N 3.13Å; Q775-A777 PolarHBondContact O-N 2.93Å
776	T	22.8	Very low	25.9	Very low	146 Å²	146	132.3 Å²	132.3	90%	0.896	81%	0.812	S	S	*	*			trans	-56.6	111.7	160.6	46.1	0	0	0	0	109.1
777	A	27.2	Very low	26	Very low	93 Å²	93	130.9 Å²	130.9	77%	0.769	82%	0.815	S	S	*	*			trans	-107.3	132.2	157.6	0	0	0	0	0	108.2	Q775	Q775-A777 PolarHBondContact O-N 2.93Å
778	P	27.5	Very low	26	Very low	129 Å²	129	133.2 Å²	133.2	84%	0.838	82%	0.821	S	S	*	*			trans	-80.4	152.4	-166.1	33.7	-33.2	0	0	0	111.8
779	G	22.9	Very low	26	Very low	73 Å²	73	135.1 Å²	135.1	75%	0.753	82%	0.82	S	S	*	*			trans	-59.2	136.6	-173.2	0	0	0	0	0	115.3
780	N	30	Very low	26.2	Very low	173 Å²	173	138.8 Å²	138.8	93%	0.925	83%	0.825	S	S	*	*			trans	-99.8	98.6	141.4	-86.6	-21.5	0	0	0	107
781	G	23.6	Very low	26.3	Very low	70 Å²	70	143.5 Å²	143.5	72%	0.722	84%	0.836	S	S	*	*			trans	-75	171.9	169.1	0	0	0	0	0	111.9
782	A	26	Very low	26.4	Very low	88 Å²	88	144.7 Å²	144.7	73%	0.727	84%	0.841	S	S	*	*			trans	94.8	117.2	157.7	0	0	0	0	0	118.1
783	Q	27.5	Very low	26.4	Very low	181 Å²	181	141.2 Å²	141.2	85%	0.846	84%	0.837	S	S	*	*			trans	75.8	120.9	141.3	-69.4	177.9	-10.9	0	0	116.2
784	L	30.5	Very low	26.3	Very low	165 Å²	165	144.8 Å²	144.8	86%	0.864	86%	0.857	S	S	*	*			cis	-151.9	134.7	45	-94.5	124	0	0	0	110.4
785	R	24.1	Very low	26.7	Very low	244 Å²	244	150.3 Å²	150.3	92%	0.921	86%	0.86	S	S	*	*			trans	-77	126.5	151.4	-78.2	-177.4	175.6	-170.3	-1.3	107.8
786	Q	31.6	Very low	26.7	Very low	270 Å²	270	148.4 Å²	148.4	100%	1.262	87%	0.866	S	S	*	*				-165.7	0	125.4	-107.6	-177	16.8	0	0	109.5

Retrieved 786 of 786 residues in 150.4 ms (Link to these results)

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