A0A077ZAA9_TRITR Loading...

Putative transforming growth factor-beta-induced protein ig-h3

AlphaFold DB , UniProt , Accession A0A077ZAA9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 692 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	33.2	Very low	38.9	Very low	246 Å²	246	144 Å²	144	100%	1.212	76%	0.757	S	S	*	*				0	70.9	0	-158.7	169.7	172	0	0	109.8
2	K	35.8	Very low	38.5	Very low	207 Å²	207	139 Å²	139	90%	0.9	73%	0.73	S	S	*	*			trans	-154.4	75.9	172.3	-80.4	-169	178.7	176.4	0	107.6
3	L	35.8	Very low	38.3	Very low	169 Å²	169	136.5 Å²	136.5	89%	0.885	72%	0.723	S	S	*	*			trans	-147.3	53.6	-175.2	-124.8	152.3	0	0	0	109.1
4	T	40.7	Very low	38.2	Very low	121 Å²	121	130.8 Å²	130.8	74%	0.742	70%	0.7	S	S	*	*			trans	-146.3	12.7	179.7	48.5	0	0	0	0	116
5	T	43.3	Very low	37.6	Very low	129 Å²	129	129.7 Å²	129.7	79%	0.791	69%	0.693	S	S	*	*	S	Bend	trans	-96.3	-18.1	177	47.7	0	0	0	0	115.1
6	S	45.3	Very low	37.2	Very low	92 Å²	92	131.7 Å²	131.7	64%	0.643	69%	0.689	S	S	*	*	H	α-helix	trans	-81.6	-27.3	-177.4	-139	0	0	0	0	114.1
7	F	42.1	Very low	37	Very low	171 Å²	171	126.9 Å²	126.9	75%	0.75	67%	0.674	S	S	*	*	H	α-helix	trans	-77.9	-23.4	179.1	-85.6	-81.3	0	0	0	113.7
8	L	37.4	Very low	36.7	Very low	120 Å²	120	131.6 Å²	131.6	63%	0.628	68%	0.68	S	S	*	*	H	α-helix	trans	-74.7	-31.9	178.1	-141.4	86.4	0	0	0	112.1	F11 I12	L8-F11 PolarHBondContact O-N 3.08Å; L8-I12 HydrophobicContact CD2-CD1 4.27Å; L8-I12 HydrophobicContact CG-CD1 4.41Å; L8-I12 WeakPolarHBondContact O-CD1 3.46Å; L8-I12 VanDerWaalsContact O-CG1 3.26Å; L8-I12 WeakPolarHBondContact O-CG1 3.05Å; L8-I12 PolarHBondContact O-N 2.56Å; L8-I12 VanDerWaalsContact O-N 3.16Å
9	A	40.3	Very low	36.7	Very low	57 Å²	57	127.4 Å²	127.4	47%	0.471	66%	0.663	S	S	.	*	H	α-helix	trans	-70.7	-36.2	-179.2	0	0	0	0	0	113	I12 V13	A9-I12 PolarHBondContact O-N 2.85Å; A9-V13 WeakPolarHBondContact O-CG2 3.14Å; A9-V13 PolarHBondContact O-N 2.93Å
10	L	40.6	Very low	36.5	Very low	130 Å²	130	123.8 Å²	123.8	68%	0.681	65%	0.647	S	S	*	*	H	α-helix	trans	-72.1	-30.5	176.5	-90.8	146.8	0	0	0	112.8	S14	L10-S14 PolarHBondContact O-N 2.94Å; L10-S14 PolarHBondContact O-OG 3.24Å
11	F	33.5	Very low	36.5	Very low	142 Å²	142	122.7 Å²	122.7	62%	0.623	64%	0.635	S	S	*	*	H	α-helix	trans	-72.2	-36.5	173.1	-107.1	-89.7	0	0	0	112.5	L8 S14 L15	L8-F11 PolarHBondContact O-N 3.08Å; F11-S14 PolarHBondContact O-OG 2.82Å; F11-S14 VanDerWaalsContact O-OG 3.05Å; F11-L15 HydrophobicContact CD1-CD1 4.25Å; F11-L15 WeakPolarHBondContact O-CD1 3.24Å; F11-L15 PolarHBondContact O-N 2.76Å
12	I	34.5	Very low	36.7	Very low	84 Å²	84	114.5 Å²	114.5	43%	0.431	60%	0.602	S	S	.	*	H	α-helix	trans	-69.9	-38.3	-180	-67	167.4	0	0	0	111.5	L8 A9 S14 L15 Y16	L8-I12 HydrophobicContact CD2-CD1 4.27Å; L8-I12 HydrophobicContact CG-CD1 4.41Å; L8-I12 WeakPolarHBondContact O-CD1 3.46Å; L8-I12 VanDerWaalsContact O-CG1 3.26Å; L8-I12 WeakPolarHBondContact O-CG1 3.05Å; L8-I12 PolarHBondContact O-N 2.56Å; L8-I12 VanDerWaalsContact O-N 3.16Å; A9-I12 PolarHBondContact O-N 2.85Å; I12-S14 PolarHBondContact O-N 3.37Å; I12-L15 PolarHBondContact O-N 3.18Å; I12-Y16 HydrophobicContact CG2-CD2 3.64Å; I12-Y16 HydrophobicContact CG2-CE2 3.65Å; I12-Y16 WeakPolarHBondContact O-CD2 3.44Å; I12-Y16 PolarHBondContact O-N 3.14Å; I12-Y16 VanDerWaalsContact O-N 3.09Å
13	V	35.4	Very low	36.7	Very low	106 Å²	106	108.6 Å²	108.6	64%	0.642	58%	0.58	S	S	*	*	H	α-helix	trans	-69.2	-32.5	179.5	177.9	0	0	0	0	112.5	A9 A17	A9-V13 WeakPolarHBondContact O-CG2 3.14Å; A9-V13 PolarHBondContact O-N 2.93Å; V13-A17 WeakPolarHBondContact O-CB 3.15Å; V13-A17 PolarHBondContact O-N 3.32Å
14	S	36.3	Very low	37	Very low	57 Å²	57	101.9 Å²	101.9	40%	0.399	55%	0.546	S	S	.	.	H	α-helix	trans	-74.8	-27.5	175.8	64.8	0	0	0	0	113.8	L10 F11 I12 R18	L10-S14 PolarHBondContact O-N 2.94Å; L10-S14 PolarHBondContact O-OG 3.24Å; F11-S14 PolarHBondContact O-OG 2.82Å; F11-S14 VanDerWaalsContact O-OG 3.05Å; I12-S14 PolarHBondContact O-N 3.37Å; S14-R18 PolarHBondContact O-N 2.03Å
15	L	29.6	Very low	37.2	Very low	114 Å²	114	101 Å²	101	60%	0.597	53%	0.534	S	S	*	.	H	α-helix	trans	-77.8	-37.5	175	-95.4	126.9	0	0	0	112.8	F11 I12 A17 R18 S19	F11-L15 HydrophobicContact CD1-CD1 4.25Å; F11-L15 WeakPolarHBondContact O-CD1 3.24Å; F11-L15 PolarHBondContact O-N 2.76Å; I12-L15 PolarHBondContact O-N 3.18Å; L15-A17 VanDerWaalsContact C-N 3.33Å; L15-R18 PolarHBondContact O-N 2.87Å; L15-S19 PolarHBondContact O-N 2.88Å; L15-S19 VanDerWaalsContact O-N 3.11Å; L15-S19 PolarHBondContact O-OG 3.34Å
16	Y	31.4	Very low	36.8	Very low	162 Å²	162	102.5 Å²	102.5	64%	0.635	53%	0.529	S	S	*	.	H	α-helix	trans	-68.4	-32.1	173.6	-85.9	-77.7	0	0	0	112.7	I12 R18 S19 T20	I12-Y16 HydrophobicContact CG2-CD2 3.64Å; I12-Y16 HydrophobicContact CG2-CE2 3.65Å; I12-Y16 WeakPolarHBondContact O-CD2 3.44Å; I12-Y16 PolarHBondContact O-N 3.14Å; I12-Y16 VanDerWaalsContact O-N 3.09Å; Y16-R18 VanDerWaalsContact C-N 3.32Å; Y16-R18 PolarHBondContact O-N 3.15Å; Y16-S19 PolarHBondContact O-OG 2.05Å; Y16-T20 WeakPolarHBondContact O-CG2 3.24Å; Y16-T20 PolarHBondContact O-OG1 3.32Å
17	A	33.4	Very low	36.3	Very low	51 Å²	51	105 Å²	105	42%	0.421	53%	0.526	S	S	.	.	H	α-helix	trans	-74.9	-17	174.2	0	0	0	0	0	113.5	V13 L15 W21	V13-A17 WeakPolarHBondContact O-CB 3.15Å; V13-A17 PolarHBondContact O-N 3.32Å; L15-A17 VanDerWaalsContact C-N 3.33Å; A17-W21 PolarHBondContact O-NE1 3.28Å
18	R	31.9	Very low	36.1	Very low	211 Å²	211	98.5 Å²	98.5	80%	0.796	51%	0.507	S	S	*	.	H	α-helix	trans	-93.2	-26.7	174.9	-77.1	-176.6	176.5	-164.9	0	113.1	S14 L15 Y16	S14-R18 PolarHBondContact O-N 2.03Å; L15-R18 PolarHBondContact O-N 2.87Å; Y16-R18 VanDerWaalsContact C-N 3.32Å; Y16-R18 PolarHBondContact O-N 3.15Å
19	S	36	Very low	36	Very low	51 Å²	51	97.1 Å²	97.1	36%	0.357	50%	0.501	S	S	.	.	H	α-helix	trans	-80.6	-29.1	-178.4	64.2	0	0	0	0	113.7	L15 Y16 W21 S22	L15-S19 PolarHBondContact O-N 2.88Å; L15-S19 VanDerWaalsContact O-N 3.11Å; L15-S19 PolarHBondContact O-OG 3.34Å; Y16-S19 PolarHBondContact O-OG 2.05Å; S19-W21 VanDerWaalsContact C-N 3.31Å; S19-W21 PolarHBondContact O-N 3.05Å; S19-S22 PolarHBondContact O-N 3.15Å; S19-S22 PolarHBondContact O-OG 2.8Å
20	T	33	Very low	35.5	Very low	55 Å²	55	103.5 Å²	103.5	34%	0.337	51%	0.512	S	S	.	.	H	α-helix	trans	-67.9	-26.3	-179.2	50.2	0	0	0	0	114.1	Y16 S22 L23	Y16-T20 WeakPolarHBondContact O-CG2 3.24Å; Y16-T20 PolarHBondContact O-OG1 3.32Å; T20-S22 VanDerWaalsContact C-N 3.35Å; T20-L23 PolarHBondContact O-N 3.21Å
21	W	37.1	Very low	35.1	Very low	101 Å²	101	106.3 Å²	106.3	38%	0.383	52%	0.515	S	S	.	.	H	α-helix	trans	-73.9	-30.5	-179.5	-60.6	64.1	0	0	0	111.6	A17 S19 L23 I86 K95	A17-W21 PolarHBondContact O-NE1 3.28Å; S19-W21 VanDerWaalsContact C-N 3.31Å; S19-W21 PolarHBondContact O-N 3.05Å; W21-L23 VanDerWaalsContact C-N 3.29Å; W21-L23 PolarHBondContact O-N 2.98Å; W21-I86 HydrophobicContact CZ2-CD1 4.07Å; W21-K95 HydrophobicContact CE3-CB 4.36Å; W21-K95 HydrophobicContact CE3-CD 3.62Å; W21-K95 HydrophobicContact CH2-CB 4.23Å; W21-K95 HydrophobicContact CH2-CD 4.45Å; W21-K95 HydrophobicContact CZ3-CB 3.49Å; W21-K95 VanDerWaalsContact CZ3-CB 3.49Å; W21-K95 HydrophobicContact CZ3-CD 3.27Å; W21-K95 HydrophobicContact CZ3-CG 3.95Å
22	S	36.9	Very low	35	Very low	75 Å²	75	103 Å²	103	52%	0.524	52%	0.52	S	S	.	.	H	α-helix	trans	-71.6	-23.7	174.6	72.3	0	0	0	0	113	S19 T20	S19-S22 PolarHBondContact O-N 3.15Å; S19-S22 PolarHBondContact O-OG 2.8Å; T20-S22 VanDerWaalsContact C-N 3.35Å
23	L	35.9	Very low	34.7	Very low	83 Å²	83	102.3 Å²	102.3	44%	0.435	53%	0.534	S	S	.	.	H	α-helix	trans	-75.3	-27.8	-177.6	-68.3	170.2	0	0	0	112.8	T20 W21 F26 Y27	T20-L23 PolarHBondContact O-N 3.21Å; W21-L23 VanDerWaalsContact C-N 3.29Å; W21-L23 PolarHBondContact O-N 2.98Å; L23-F26 PolarHBondContact O-N 3.21Å; L23-F26 VanDerWaalsContact O-N 3.15Å; L23-Y27 HydrophobicContact CB-CD2 4.28Å; L23-Y27 HydrophobicContact CD2-CD2 4.35Å; L23-Y27 HydrophobicContact CD2-CE2 4.03Å; L23-Y27 WeakPolarHBondContact O-CB 3.25Å; L23-Y27 WeakPolarHBondContact O-CD2 3.44Å; L23-Y27 PolarHBondContact O-N 2.94Å
24	C	43.3	Very low	34.4	Very low	27 Å²	27	102.1 Å²	102.1	18%	0.182	54%	0.544	C	S	.	.	H	α-helix	trans	-73	-29.4	176.3	-77.4	0	0	0	0	113.7	F26 G28 C71	C24-F26 PolarHBondContact O-N 2.77Å; C24-G28 PolarHBondContact O-N 2.91Å; C24-C71 HydrophobicContact CB-CB 4.08Å; C24-C71 WeakPolarHBondContact CB-SG 3.23Å; C24-C71 WeakPolarHBondContact SG-CB 3.35Å; C24-C71 CovalentContact SG-SG 2.03Å; C24-C71 PolarHBondContact SG-SG 3.05Å
25	H	43	Very low	34	Very low	104 Å²	104	105.8 Å²	105.8	48%	0.481	56%	0.559	S	S	.	*	H	α-helix	trans	-64.3	-26.5	168.9	-95.7	-62.6	0	0	0	112.5
26	F	35.2	Very low	33.9	Very low	159 Å²	159	108.1 Å²	108.1	70%	0.697	57%	0.571	S	S	*	*	H	α-helix	trans	-95.4	-29.8	-177.7	-131	-88.9	0	0	0	113.8	L23 C24	L23-F26 PolarHBondContact O-N 3.21Å; L23-F26 VanDerWaalsContact O-N 3.15Å; C24-F26 PolarHBondContact O-N 2.77Å
27	Y	35.5	Very low	33.7	Very low	144 Å²	144	106.9 Å²	106.9	57%	0.565	58%	0.581	S	S	*	*	H	α-helix	trans	-95.9	-20.5	-176	-85.3	-86.6	0	0	0	114.6	L23 D29 R30 Y31	L23-Y27 HydrophobicContact CB-CD2 4.28Å; L23-Y27 HydrophobicContact CD2-CD2 4.35Å; L23-Y27 HydrophobicContact CD2-CE2 4.03Å; L23-Y27 WeakPolarHBondContact O-CB 3.25Å; L23-Y27 WeakPolarHBondContact O-CD2 3.44Å; L23-Y27 PolarHBondContact O-N 2.94Å; Y27-D29 PolarHBondContact O-N 3.3Å; Y27-R30 PolarHBondContact O-N 2.84Å; Y27-R30 VanDerWaalsContact O-N 3.15Å; Y27-Y31 PolarHBondContact O-N 3.17Å
28	G	36.9	Very low	33.5	Very low	35 Å²	35	112 Å²	112	36%	0.361	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.1	-26.5	171.1	0	0	0	0	0	113.1	C24 R30	C24-G28 PolarHBondContact O-N 2.91Å; G28-R30 PolarHBondContact O-N 3.22Å
29	D	36.7	Very low	33.3	Very low	92 Å²	92	105.6 Å²	105.6	49%	0.492	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.5	-10.5	178.3	-79.1	-16.7	0	0	0	114.5	Y27	Y27-D29 PolarHBondContact O-N 3.3Å
30	R	29.4	Very low	33.2	Very low	191 Å²	191	108.5 Å²	108.5	72%	0.721	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	-23.8	-176.4	-75.3	-162	-167.5	-158.3	4.7	117	Y27 G28	Y27-R30 PolarHBondContact O-N 2.84Å; Y27-R30 VanDerWaalsContact O-N 3.15Å; G28-R30 PolarHBondContact O-N 3.22Å
31	Y	32.7	Very low	33.5	Very low	189 Å²	189	110.6 Å²	110.6	74%	0.741	63%	0.626	S	S	*	*			trans	-141.2	39.3	-169.9	-65.6	-75.8	0	0	0	114.9	Y27	Y27-Y31 PolarHBondContact O-N 3.17Å
32	G	30.3	Very low	34	Very low	71 Å²	71	108.1 Å²	108.1	73%	0.732	63%	0.632	S	S	*	*			trans	-74.2	117.5	162.2	0	0	0	0	0	110.4
33	G	27.8	Very low	34.9	Very low	70 Å²	70	106.1 Å²	106.1	72%	0.722	62%	0.617	S	S	*	*			trans	-60.6	148.1	-168.6	0	0	0	0	0	116.2	N35	G33-N35 PolarHBondContact O-N 3.42Å; G33-N35 VanDerWaalsContact O-N 3.09Å
34	A	29.2	Very low	36.1	Very low	102 Å²	102	105.1 Å²	105.1	84%	0.843	62%	0.615	S	S	*	*	S	Bend	trans	30.7	63.3	150.6	0	0	0	0	0	117.3
35	N	29.2	Very low	37.8	Very low	134 Å²	134	104.4 Å²	104.4	72%	0.717	61%	0.608	S	S	*	*			trans	-141.2	132.2	144.6	-94.4	-39.1	0	0	0	108.8	G33 V37	G33-N35 PolarHBondContact O-N 3.42Å; G33-N35 VanDerWaalsContact O-N 3.09Å; N35-V37 PolarHBondContact O-N 2.76Å
36	L	26.8	Very low	39.8	Very low	163 Å²	163	100.4 Å²	100.4	85%	0.853	59%	0.59	S	S	*	*			trans	-41.8	121.6	-172.5	-80.3	120.2	0	0	0	114.8	I38	L36-I38 PolarHBondContact O-N 2.73Å
37	V	26.5	Very low	42.1	Very low	137 Å²	137	99.8 Å²	99.8	83%	0.83	59%	0.594	S	S	*	*			trans	21.2	81.3	139.9	-165.3	0	0	0	0	116	N35	N35-V37 PolarHBondContact O-N 2.76Å
38	I	29.8	Very low	44.5	Very low	159 Å²	159	93.8 Å²	93.8	82%	0.815	58%	0.576	S	S	*	*			trans	-124.9	98.5	136.9	-62.4	-179.1	0	0	0	106.1	L36	L36-I38 PolarHBondContact O-N 2.73Å
39	S	28.5	Very low	47.2	Very low	75 Å²	75	95.8 Å²	95.8	52%	0.524	58%	0.582	S	S	.	*			trans	25.9	122.8	155.1	57.4	0	0	0	0	118.4	V41	S39-V41 VanDerWaalsContact C-N 3.32Å; S39-V41 PolarHBondContact O-N 2.94Å
40	A	33.6	Very low	50	Low	112 Å²	112	94.1 Å²	94.1	93%	0.926	57%	0.574	S	S	*	*			trans	-41.2	94.4	147.1	0	0	0	0	0	111.5
41	V	38.6	Very low	53.1	Low	100 Å²	100	86.5 Å²	86.5	61%	0.606	55%	0.548	S	S	*	.			trans	-140.5	89.6	167.1	-168.3	0	0	0	0	105	S39 T43 P44	S39-V41 VanDerWaalsContact C-N 3.32Å; S39-V41 PolarHBondContact O-N 2.94Å; V41-T43 PolarHBondContact O-N 3.48Å; V41-P44 HydrophobicContact CG1-CG 4.19Å
42	G	47.7	Very low	56.1	Low	48 Å²	48	79.8 Å²	79.8	50%	0.495	53%	0.528	S	S	.	.			trans	-55.9	121.5	-172.5	0	0	0	0	0	112.1	P44	G42-P44 VanDerWaalsContact C-N 3.31Å; G42-P44 WeakPolarHBondContact O-CD 3.22Å; G42-P44 WeakPolarHBondContact O-CG 2.99Å
43	T	56.2	Low	59	Low	34 Å²	34	81.5 Å²	81.5	21%	0.209	52%	0.516	C	S	.	.			trans	28.9	44	151.5	55.2	0	0	0	0	118.7	V41 W45 L46 Y75	V41-T43 PolarHBondContact O-N 3.48Å; T43-W45 PolarHBondContact O-N 2.66Å; T43-L46 HydrophobicContact CG2-CD1 3.56Å; T43-L46 HydrophobicContact CG2-CG 4.19Å; T43-L46 PolarHBondContact O-N 3.15Å; T43-Y75 HydrophobicContact CG2-CE1 4.47Å; T43-Y75 VanDerWaalsContact CG2-OH 3.25Å; T43-Y75 WeakPolarHBondContact CG2-OH 3.35Å
44	P	60.4	Low	62.2	Low	61 Å²	61	81.9 Å²	81.9	40%	0.396	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-23.7	-167.9	-13.8	29.3	0	0	0	111.8	V41 G42 K112	V41-P44 HydrophobicContact CG1-CG 4.19Å; G42-P44 VanDerWaalsContact C-N 3.31Å; G42-P44 WeakPolarHBondContact O-CD 3.22Å; G42-P44 WeakPolarHBondContact O-CG 2.99Å; P44-K112 WeakPolarHBondContact O-CG 3.24Å
45	W	80.2	Confident	65.2	Low	13 Å²	13	81.3 Å²	81.3	5%	0.049	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-24.7	-177	79.5	-88.3	0	0	0	113.6	T43 N47 G48 V51 R107 G113	T43-W45 PolarHBondContact O-N 2.66Å; W45-N47 PolarHBondContact O-N 3.35Å; W45-N47 VanDerWaalsContact O-N 3.15Å; W45-G48 PolarHBondContact O-N 2.75Å; W45-V51 HydrophobicContact CE3-CG2 3.9Å; W45-V51 HydrophobicContact CZ3-CG1 4.25Å; W45-V51 HydrophobicContact CZ3-CG2 3.94Å; W45-V51 WeakPolarHBondContact O-CG2 3.37Å; W45-R107 VanDerWaalsContact CD1-NH2 3.32Å; W45-R107 HydrophobicContact CE3-CG 4.41Å; W45-R107 HydrophobicContact CZ3-CG 4.41Å; W45-G113 WeakPolarHBondContact O-CA 3.13Å; W45-G113 PolarHBondContact O-N 2.96Å
46	L	84	Confident	68.3	Low	19 Å²	19	78 Å²	78	10%	0.099	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.4	-177.1	-63.7	-172.4	0	0	0	113.3	T43 Y80 Y99	T43-L46 HydrophobicContact CG2-CD1 3.56Å; T43-L46 HydrophobicContact CG2-CG 4.19Å; T43-L46 PolarHBondContact O-N 3.15Å; L46-Y80 HydrophobicContact CD1-CD1 3.65Å; L46-Y80 HydrophobicContact CD1-CE1 4.14Å; L46-Y80 HydrophobicContact CD1-CG 4.33Å; L46-Y99 HydrophobicContact CB-CD1 4.49Å; L46-Y99 HydrophobicContact CD1-CD2 4.24Å; L46-Y99 HydrophobicContact CD1-CG 4.23Å; L46-Y99 HydrophobicContact CD2-CD1 4.47Å; L46-Y99 HydrophobicContact CD2-CG 4.01Å
47	N	83.6	Confident	71.4	Confident	147 Å²	147	73.9 Å²	73.9	79%	0.786	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	8.6	177.7	-63.6	-39.9	0	0	0	113.1	W45	W45-N47 PolarHBondContact O-N 3.35Å; W45-N47 VanDerWaalsContact O-N 3.15Å
48	G	87.5	Confident	74.3	Confident	17 Å²	17	70.7 Å²	70.7	18%	0.175	41%	0.413	C	S	.	.	S	Bend	trans	-84.8	176.7	178.2	0	0	0	0	0	113.5	W45	W45-G48 PolarHBondContact O-N 2.75Å
49	P	92.8	Very high	77.1	Confident	77 Å²	77	69.9 Å²	69.9	50%	0.5	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	153.4	178.2	28.4	-36.4	0	0	0	112.1	V51 G113 C114	P49-V51 PolarHBondContact O-N 3.25Å; P49-V51 VanDerWaalsContact O-N 3.15Å; P49-G113 WeakPolarHBondContact O-CA 3.42Å; P49-C114 PolarHBondContact O-N 3.27Å
50	N	95.2	Very high	79.7	Confident	58 Å²	58	69.8 Å²	69.8	31%	0.31	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	26.1	175.2	-43.3	-51.7	0	0	0	115.2	C102 F105 C114	N50-C102 VanDerWaalsContact C-SG 3.56Å; N50-C102 WeakPolarHBondContact O-CB 3.26Å; N50-C102 PolarHBondContact O-N 3.32Å; N50-C102 PolarHBondContact O-SG 2.89Å; N50-C102 VanDerWaalsContact O-SG 3.34Å; N50-F105 HydrophobicContact CB-CB 3.98Å; N50-F105 HydrophobicContact CB-CD1 3.83Å; N50-F105 HydrophobicContact CB-CD2 3.86Å; N50-F105 HydrophobicContact CB-CE1 4.25Å; N50-F105 HydrophobicContact CB-CE2 4.27Å; N50-F105 HydrophobicContact CB-CG 3.6Å; N50-F105 HydrophobicContact CB-CZ 4.45Å; N50-F105 VanDerWaalsContact CG-CE1 3.48Å; N50-F105 WeakPolarHBondContact ND2-CD1 3.27Å; N50-F105 WeakPolarHBondContact ND2-CE1 3.45Å; N50-C114 HydrophobicContact CB-CB 4.19Å; N50-C114 WeakPolarHBondContact CB-O 3.32Å; N50-C114 PolarHBondContact ND2-O 3.3Å
51	V	94.5	Very high	82	Confident	31 Å²	31	70.6 Å²	70.6	19%	0.188	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.7	166.6	-176.3	0	0	0	0	108.5	W45 P49 Y99 E100	W45-V51 HydrophobicContact CE3-CG2 3.9Å; W45-V51 HydrophobicContact CZ3-CG1 4.25Å; W45-V51 HydrophobicContact CZ3-CG2 3.94Å; W45-V51 WeakPolarHBondContact O-CG2 3.37Å; P49-V51 PolarHBondContact O-N 3.25Å; P49-V51 VanDerWaalsContact O-N 3.15Å; V51-Y99 HydrophobicContact CG1-CD1 4.36Å; V51-E100 CarbonylContact C-O 3.56Å; V51-E100 WeakPolarHBondContact CA-O 3.02Å
52	C	94.8	Very high	83.8	Confident	47 Å²	47	67.3 Å²	67.3	32%	0.318	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	142.3	175.2	-85	0	0	0	0	109.6	Y99 E100 C102	C52-Y99 WeakPolarHBondContact O-CA 3.5Å; C52-E100 HydrophobicContact CB-CG 4.34Å; C52-E100 PolarHBondContact N-O 3.35Å; C52-E100 PolarHBondContact O-N 3.36Å; C52-C102 VanDerWaalsContact CA-SG 3.56Å; C52-C102 HydrophobicContact CB-CB 4.1Å; C52-C102 WeakPolarHBondContact CB-SG 3.41Å; C52-C102 PolarHBondContact N-SG 3.49Å; C52-C102 WeakPolarHBondContact SG-CA 3.47Å; C52-C102 WeakPolarHBondContact SG-CB 3.45Å; C52-C102 CovalentContact SG-SG 2.05Å; C52-C102 PolarHBondContact SG-SG 3.25Å
53	K	93.2	Very high	85.2	Confident	107 Å²	107	72.5 Å²	72.5	47%	0.465	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.6	179	-174.1	-175.7	178.4	-169.8	0	109.8	E55 V97 V98 Y99	K53-E55 WeakPolarHBondContact CE-OE1 3.18Å; K53-E55 IonicContact NZ-OE1 3.18Å; K53-E55 PolarHBondContact NZ-OE1 3.06Å; K53-V97 HydrophobicContact CG-CG1 4.41Å; K53-V98 CarbonylContact C-O 3.53Å; K53-V98 WeakPolarHBondContact CA-O 3.06Å; K53-Y99 HydrophobicContact CB-CD1 4.33Å; K53-Y99 HydrophobicContact CB-CE1 4.38Å; K53-Y99 HydrophobicContact CD-CD1 4.45Å; K53-Y99 HydrophobicContact CD-CE1 3.71Å; K53-Y99 VanDerWaalsContact CE-OH 3.31Å; K53-Y99 WeakPolarHBondContact CE-OH 3.41Å; K53-Y99 HydrophobicContact CG-CD1 4.17Å; K53-Y99 HydrophobicContact CG-CE1 3.9Å; K53-Y99 PolarHBondContact NZ-OH 3.3Å
54	R	93.6	Very high	86.1	Confident	78 Å²	78	76.2 Å²	76.2	29%	0.294	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	140.1	170.7	-69.8	-171.9	-70.8	120.6	-1.5	110.4	V97 V98 E100 D206	R54-V97 WeakPolarHBondContact O-CA 3.12Å; R54-V98 HydrophobicContact CB-CB 4.37Å; R54-V98 PolarHBondContact N-O 3.19Å; R54-V98 PolarHBondContact O-N 3.15Å; R54-E100 IonicContact CZ-OE1 3.73Å; R54-E100 IonicContact CZ-OE2 2.81Å; R54-E100 IonicContact NE-OE1 2.66Å; R54-E100 PolarHBondContact NE-OE1 2.83Å; R54-E100 IonicContact NE-OE2 3.15Å; R54-E100 IonicContact NH2-OE1 3.41Å; R54-E100 PolarHBondContact NH2-OE1 3.37Å; R54-E100 IonicContact NH2-OE2 2.87Å; R54-E100 PolarHBondContact NH2-OE2 3.36Å; R54-D206 IonicContact CZ-OD1 3.19Å; R54-D206 IonicContact NH1-OD1 3.46Å; R54-D206 PolarHBondContact NH1-OD1 2.86Å; R54-D206 IonicContact NH2-OD1 2.73Å; R54-D206 PolarHBondContact NH2-OD1 3.41Å; R54-D206 IonicContact NH2-OD2 3.6Å; R54-D206 PolarHBondContact NH2-OD2 3.08Å
55	E	93.3	Very high	86.7	Confident	91 Å²	91	82 Å²	82	43%	0.425	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.9	171.5	-59	-166	173	0	0	109.7	K53 K95 T96 V97	K53-E55 WeakPolarHBondContact CE-OE1 3.18Å; K53-E55 IonicContact NZ-OE1 3.18Å; K53-E55 PolarHBondContact NZ-OE1 3.06Å; E55-K95 WeakPolarHBondContact OE2-CE 3.08Å; E55-K95 IonicContact OE2-NZ 3.02Å; E55-K95 PolarHBondContact OE2-NZ 3.19Å; E55-T96 WeakPolarHBondContact CA-O 3.13Å; E55-V97 HydrophobicContact CG-CB 4.43Å; E55-V97 HydrophobicContact CG-CG1 4.09Å; E55-V97 HydrophobicContact CG-CG2 4Å
56	Y	93.1	Very high	86.6	Confident	65 Å²	65	82.5 Å²	82.5	26%	0.255	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	159	173.9	59.4	-83.9	0	0	0	110.5	K95 T96 V98	Y56-K95 WeakPolarHBondContact O-CA 3.07Å; Y56-T96 HydrophobicContact CE1-CG2 3.76Å; Y56-T96 HydrophobicContact CE2-CG2 4.38Å; Y56-T96 VanDerWaalsContact CZ-CB 3.5Å; Y56-T96 PolarHBondContact N-O 2.82Å; Y56-T96 PolarHBondContact O-N 2.05Å; Y56-T96 WeakPolarHBondContact OH-CG2 3.42Å; Y56-V98 HydrophobicContact CE1-CG2 4.25Å
57	T	92	Very high	86.6	Confident	75 Å²	75	87.7 Å²	87.7	46%	0.46	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.3	-177.5	-56.7	0	0	0	0	109.4	T93 T94	T57-T93 HydrophobicContact CG2-CG2 3.51Å; T57-T94 CarbonylContact C-O 3.59Å; T57-T94 WeakPolarHBondContact CA-O 3.44Å
58	N	88.3	Confident	86.7	Confident	70 Å²	70	86.8 Å²	86.8	37%	0.374	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	144.3	176.6	-64.7	-11.3	0	0	0	109.8	T93 T94	N58-T93 CarbonylContact O-C 3.56Å; N58-T93 WeakPolarHBondContact O-CA 3.42Å; N58-T94 PolarHBondContact N-O 3.23Å; N58-T94 PolarHBondContact O-N 2.73Å
59	E	87.7	Confident	86.7	Confident	143 Å²	143	90.3 Å²	90.3	67%	0.668	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.3	173.7	-70.3	-176.1	170.6	0	0	110	V91 E92 T93	E59-V91 HydrophobicContact CB-CG1 4.34Å; E59-E92 WeakPolarHBondContact CA-O 3.44Å; E59-T93 HydrophobicContact CG-CG2 3.98Å
60	T	83.2	Confident	86.4	Confident	72 Å²	72	90.2 Å²	90.2	44%	0.442	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.5	178.3	53.2	0	0	0	0	110.6	E92	T60-E92 PolarHBondContact N-O 2.89Å; T60-E92 PolarHBondContact O-N 3Å; T60-E92 PolarHBondContact OG1-O 2.94Å
61	T	81.4	Confident	86	Confident	129 Å²	129	90.3 Å²	90.3	79%	0.791	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	136.7	172.3	-50.4	0	0	0	0	110.1	N90	T61-N90 CarbonylContact C-O 3.58Å; T61-N90 WeakPolarHBondContact CA-O 2.89Å
62	T	78.2	Confident	85.6	Confident	32 Å²	32	91.8 Å²	91.8	20%	0.196	47%	0.471	C	S	.	.			trans	-136.5	145.5	-177.9	162.9	0	0	0	0	110.7	Y64 T87 N90 E92	T62-Y64 PolarHBondContact O-N 2.88Å; T62-Y64 WeakPolarHBondContact OG1-CB 3.19Å; T62-Y64 PolarHBondContact OG1-N 3.22Å; T62-Y64 VanDerWaalsContact OG1-N 3.16Å; T62-T87 HydrophobicContact CG2-CG2 3.56Å; T62-N90 PolarHBondContact N-O 3.2Å; T62-N90 WeakPolarHBondContact O-CA 3.45Å; T62-N90 WeakPolarHBondContact O-CB 3.43Å; T62-E92 HydrophobicContact CG2-CB 3.84Å
63	D	75.9	Confident	85.3	Confident	157 Å²	157	91.4 Å²	91.4	84%	0.84	47%	0.468	S	S	*	.	S	Bend	trans	-71.3	-5.2	176.8	-66.8	-28.5	0	0	0	113.4	K65	D63-K65 PolarHBondContact O-N 3.26Å
64	Y	74.6	Confident	85	Confident	111 Å²	111	89 Å²	89	44%	0.435	46%	0.461	S	S	.	.			trans	-74.6	113.6	-179.8	-175.4	-104.1	0	0	0	112.3	T62 G66 R68 T87 N90	T62-Y64 PolarHBondContact O-N 2.88Å; T62-Y64 WeakPolarHBondContact OG1-CB 3.19Å; T62-Y64 PolarHBondContact OG1-N 3.22Å; T62-Y64 VanDerWaalsContact OG1-N 3.16Å; Y64-G66 VanDerWaalsContact C-N 3.34Å; Y64-G66 VanDerWaalsContact CD1-O 3.31Å; Y64-G66 WeakPolarHBondContact CD1-O 3.18Å; Y64-G66 WeakPolarHBondContact CE1-O 3.24Å; Y64-G66 PolarHBondContact O-N 3.06Å; Y64-R68 HydrophobicContact CE1-CB 3.8Å; Y64-T87 HydrophobicContact CD1-CG2 3.78Å; Y64-N90 PolarHBondContact O-OD1 2.67Å
65	K	73.1	Confident	84.6	Confident	184 Å²	184	91.5 Å²	91.5	80%	0.8	47%	0.471	S	S	*	.			trans	-84.1	4.6	-177.5	-62.5	-176.8	-179.2	178	0	115.5	D63 N90	D63-K65 PolarHBondContact O-N 3.26Å; K65-N90 WeakPolarHBondContact CA-OD1 3.35Å
66	G	79.4	Confident	84.2	Confident	22 Å²	22	90 Å²	90	23%	0.227	46%	0.461	C	S	.	.	S	Bend	trans	-104.2	177.3	-178.9	0	0	0	0	0	113.9	Y64	Y64-G66 VanDerWaalsContact C-N 3.34Å; Y64-G66 VanDerWaalsContact CD1-O 3.31Å; Y64-G66 WeakPolarHBondContact CD1-O 3.18Å; Y64-G66 WeakPolarHBondContact CE1-O 3.24Å; Y64-G66 PolarHBondContact O-N 3.06Å
67	N	83.6	Confident	83.7	Confident	128 Å²	128	94.5 Å²	94.5	68%	0.684	49%	0.485	S	S	*	.			trans	-97.6	126	167.9	-69.2	-10.5	0	0	0	109.7	T87	N67-T87 VanDerWaalsContact CA-O 3.26Å; N67-T87 WeakPolarHBondContact CA-O 3.25Å
68	R	85.3	Confident	83.5	Confident	128 Å²	128	93 Å²	93	48%	0.483	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144.1	178.9	-177.2	176.7	178.9	-175.5	1.1	110.3	Y64 K70 I86 T87	Y64-R68 HydrophobicContact CE1-CB 3.8Å; R68-K70 HydrophobicContact CG-CG 4.3Å; R68-K70 VanDerWaalsContact NH1-CE 3.32Å; R68-I86 WeakPolarHBondContact O-CA 3.41Å; R68-T87 PolarHBondContact N-O 2.8Å; R68-T87 VanDerWaalsContact N-O 3.14Å; R68-T87 PolarHBondContact O-N 2.81Å
69	T	86.7	Confident	83.6	Confident	92 Å²	92	89.7 Å²	89.7	56%	0.564	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.8	168.3	-53.6	0	0	0	0	109.1	S85 I86	T69-S85 CarbonylContact C-O 3.55Å; T69-S85 VanDerWaalsContact CA-O 3.28Å; T69-S85 WeakPolarHBondContact CA-O 3.03Å; T69-I86 HydrophobicContact CG2-CG1 4.38Å
70	K	86.9	Confident	83.8	Confident	75 Å²	75	83.4 Å²	83.4	33%	0.326	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.7	172.7	-59.8	173.8	-165.2	144.8	0	108.4	R68 S84 S85 E92	R68-K70 HydrophobicContact CG-CG 4.3Å; R68-K70 VanDerWaalsContact NH1-CE 3.32Å; K70-S84 CarbonylContact O-C 3.59Å; K70-S84 WeakPolarHBondContact O-CA 3.4Å; K70-S85 PolarHBondContact N-O 3.18Å; K70-S85 PolarHBondContact O-N 2.6Å; K70-E92 IonicContact NZ-OE1 3.75Å; K70-E92 PolarHBondContact NZ-OE1 2.86Å; K70-E92 IonicContact NZ-OE2 3.25Å
71	C	87	Confident	84.1	Confident	59 Å²	59	80.1 Å²	80.1	40%	0.399	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137	166.8	-83.8	0	0	0	0	109.6	C24 K83 S84	C24-C71 HydrophobicContact CB-CB 4.08Å; C24-C71 WeakPolarHBondContact CB-SG 3.23Å; C24-C71 WeakPolarHBondContact SG-CB 3.35Å; C24-C71 CovalentContact SG-SG 2.03Å; C24-C71 PolarHBondContact SG-SG 3.05Å; C71-K83 CarbonylContact C-O 3.47Å; C71-K83 VanDerWaalsContact CA-O 3.25Å; C71-K83 WeakPolarHBondContact CA-O 3.28Å; C71-S84 WeakPolarHBondContact SG-CB 3.23Å; C71-S84 PolarHBondContact SG-OG 3.2Å
72	S	87.1	Confident	84.6	Confident	63 Å²	63	74.5 Å²	74.5	44%	0.441	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	127.5	175.8	-179.1	0	0	0	0	108.8	C82 K83	S72-C82 CarbonylContact O-C 3.58Å; S72-C82 WeakPolarHBondContact O-CA 3.46Å; S72-K83 PolarHBondContact N-O 3.03Å; S72-K83 PolarHBondContact O-N 2.93Å
73	C	88.6	Confident	85.2	Confident	38 Å²	38	74.8 Å²	74.8	26%	0.257	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.3	175.3	-66.4	0	0	0	0	109.1	Y80 V81 C82	C73-Y80 HydrophobicContact CB-CE2 3.8Å; C73-Y80 VanDerWaalsContact CB-OH 3.27Å; C73-Y80 WeakPolarHBondContact CB-OH 3.48Å; C73-V81 CarbonylContact C-O 3.58Å; C73-V81 VanDerWaalsContact CA-O 3.25Å; C73-V81 WeakPolarHBondContact CA-O 3.21Å; C73-C82 HydrophobicContact CB-CB 4.18Å; C73-C82 WeakPolarHBondContact CB-SG 3.43Å; C73-C82 VanDerWaalsContact SG-CA 3.59Å; C73-C82 WeakPolarHBondContact SG-CB 3.25Å; C73-C82 CovalentContact SG-SG 2.05Å; C73-C82 PolarHBondContact SG-SG 2.92Å
74	N	86.6	Confident	86	Confident	58 Å²	58	68.8 Å²	68.8	31%	0.31	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.3	-177.9	-67.5	-70.2	0	0	0	110.5	Y76 V81	N74-Y76 HydrophobicContact CB-CD2 4.5Å; N74-Y76 HydrophobicContact CB-CE2 3.74Å; N74-V81 PolarHBondContact N-O 3.08Å; N74-V81 PolarHBondContact O-N 3.27Å
75	Y	84.5	Confident	86.7	Confident	129 Å²	129	64.1 Å²	64.1	51%	0.506	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.4	170.7	-72.2	-89	0	0	0	109.9	T43 Y80	T43-Y75 HydrophobicContact CG2-CE1 4.47Å; T43-Y75 VanDerWaalsContact CG2-OH 3.25Å; T43-Y75 WeakPolarHBondContact CG2-OH 3.35Å; Y75-Y80 AromaticContact CD1-CD2 3.55Å; Y75-Y80 HydrophobicContact CD1-CD2 3.55Å; Y75-Y80 HydrophobicContact CD1-CE2 4.08Å; Y75-Y80 HydrophobicContact CD1-CG 4.41Å; Y75-Y80 AromaticContact CD2-CD2 3.99Å; Y75-Y80 HydrophobicContact CD2-CD2 3.99Å; Y75-Y80 AromaticContact CD2-CE2 3.8Å; Y75-Y80 HydrophobicContact CD2-CE2 3.8Å; Y75-Y80 AromaticContact CE1-CD2 3.45Å; Y75-Y80 HydrophobicContact CE1-CD2 3.45Å; Y75-Y80 VanDerWaalsContact CE1-CD2 3.45Å; Y75-Y80 AromaticContact CE1-CE2 3.68Å; Y75-Y80 HydrophobicContact CE1-CE2 3.68Å; Y75-Y80 HydrophobicContact CE1-CG 4.19Å; Y75-Y80 AromaticContact CE2-CD2 3.9Å; Y75-Y80 HydrophobicContact CE2-CD2 3.9Å; Y75-Y80 AromaticContact CE2-CE2 3.37Å; Y75-Y80 HydrophobicContact CE2-CE2 3.37Å; Y75-Y80 AromaticContact CG-CD2 3.82Å; Y75-Y80 HydrophobicContact CG-CD2 3.82Å; Y75-Y80 HydrophobicContact CG-CE2 4.13Å; Y75-Y80 AromaticContact CZ-CD2 3.63Å; Y75-Y80 AromaticContact CZ-CE2 3.31Å
76	Y	85	Confident	87.5	Confident	59 Å²	59	58 Å²	58	23%	0.231	30%	0.3	C	S	.	.			trans	-112	170.1	168.1	-60.7	-85.5	0	0	0	108.8	N74 N78 A79 V81 Y205	N74-Y76 HydrophobicContact CB-CD2 4.5Å; N74-Y76 HydrophobicContact CB-CE2 3.74Å; Y76-N78 VanDerWaalsContact C-N 3.26Å; Y76-N78 PolarHBondContact O-N 3.1Å; Y76-A79 WeakPolarHBondContact CA-O 3.43Å; Y76-A79 WeakPolarHBondContact CB-O 3.31Å; Y76-A79 HydrophobicContact CD2-CB 4.46Å; Y76-A79 PolarHBondContact N-O 3.32Å; Y76-V81 HydrophobicContact CD2-CG2 3.96Å; Y76-V81 HydrophobicContact CE2-CB 4.03Å; Y76-V81 HydrophobicContact CE2-CG2 3.73Å; Y76-Y205 HydrophobicContact CD2-CG 4.2Å; Y76-Y205 VanDerWaalsContact CE2-CB 3.41Å; Y76-Y205 HydrophobicContact CE2-CG 4.43Å; Y76-Y205 HydrophobicContact CG-CD1 4.28Å; Y76-Y205 HydrophobicContact CG-CG 4.37Å
77	Q	82.2	Confident	87.9	Confident	160 Å²	160	57.1 Å²	57.1	75%	0.748	29%	0.29	S	S	*	.	S	Bend	trans	-54.4	-47.5	178.3	-171.6	176.1	-25.1	0	0	110.6	R107	Q77-R107 VanDerWaalsContact O-CD 3.24Å; Q77-R107 WeakPolarHBondContact O-CD 3.32Å; Q77-R107 PolarHBondContact O-NH1 3.05Å
78	N	87.7	Confident	87.9	Confident	44 Å²	44	53.5 Å²	53.5	24%	0.235	28%	0.275	C	S	.	.	S	Bend	trans	-117.3	7.4	-173	-66.2	-11.4	0	0	0	114.6	Y76 E100 C101 D106	Y76-N78 VanDerWaalsContact C-N 3.26Å; Y76-N78 PolarHBondContact O-N 3.1Å; N78-E100 WeakPolarHBondContact O-CA 2.86Å; N78-C101 PolarHBondContact O-N 2.99Å; N78-D106 PolarHBondContact ND2-OD1 3.34Å; N78-D106 PolarHBondContact OD1-OD1 3.27Å
79	A	90.9	Very high	87.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	157.4	-178.1	0	0	0	0	0	112.9	Y76 Y99 E100 Y205	Y76-A79 WeakPolarHBondContact CA-O 3.43Å; Y76-A79 WeakPolarHBondContact CB-O 3.31Å; Y76-A79 HydrophobicContact CD2-CB 4.46Å; Y76-A79 PolarHBondContact N-O 3.32Å; A79-Y99 CarbonylContact C-O 3.54Å; A79-Y99 WeakPolarHBondContact CA-O 3.38Å; A79-E100 HydrophobicContact CB-CB 3.98Å; A79-Y205 HydrophobicContact CB-CD1 3.78Å; A79-Y205 HydrophobicContact CB-CD2 4.02Å; A79-Y205 HydrophobicContact CB-CE1 3.48Å; A79-Y205 VanDerWaalsContact CB-CE1 3.48Å; A79-Y205 HydrophobicContact CB-CE2 3.76Å; A79-Y205 HydrophobicContact CB-CG 4.02Å; A79-Y205 VanDerWaalsContact CB-CZ 3.46Å
80	Y	91.2	Very high	87.6	Confident	12 Å²	12	54.5 Å²	54.5	5%	0.047	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	112.7	170.8	179.6	-116.6	0	0	0	108.2	L46 C73 Y75 C82 V98 Y99	L46-Y80 HydrophobicContact CD1-CD1 3.65Å; L46-Y80 HydrophobicContact CD1-CE1 4.14Å; L46-Y80 HydrophobicContact CD1-CG 4.33Å; C73-Y80 HydrophobicContact CB-CE2 3.8Å; C73-Y80 VanDerWaalsContact CB-OH 3.27Å; C73-Y80 WeakPolarHBondContact CB-OH 3.48Å; Y75-Y80 AromaticContact CD1-CD2 3.55Å; Y75-Y80 HydrophobicContact CD1-CD2 3.55Å; Y75-Y80 HydrophobicContact CD1-CE2 4.08Å; Y75-Y80 HydrophobicContact CD1-CG 4.41Å; Y75-Y80 AromaticContact CD2-CD2 3.99Å; Y75-Y80 HydrophobicContact CD2-CD2 3.99Å; Y75-Y80 AromaticContact CD2-CE2 3.8Å; Y75-Y80 HydrophobicContact CD2-CE2 3.8Å; Y75-Y80 AromaticContact CE1-CD2 3.45Å; Y75-Y80 HydrophobicContact CE1-CD2 3.45Å; Y75-Y80 VanDerWaalsContact CE1-CD2 3.45Å; Y75-Y80 AromaticContact CE1-CE2 3.68Å; Y75-Y80 HydrophobicContact CE1-CE2 3.68Å; Y75-Y80 HydrophobicContact CE1-CG 4.19Å; Y75-Y80 AromaticContact CE2-CD2 3.9Å; Y75-Y80 HydrophobicContact CE2-CD2 3.9Å; Y75-Y80 AromaticContact CE2-CE2 3.37Å; Y75-Y80 HydrophobicContact CE2-CE2 3.37Å; Y75-Y80 AromaticContact CG-CD2 3.82Å; Y75-Y80 HydrophobicContact CG-CD2 3.82Å; Y75-Y80 HydrophobicContact CG-CE2 4.13Å; Y75-Y80 AromaticContact CZ-CD2 3.63Å; Y75-Y80 AromaticContact CZ-CE2 3.31Å; Y80-C82 WeakPolarHBondContact CE1-SG 3.48Å; Y80-C82 PolarHBondContact OH-SG 3.42Å; Y80-V98 WeakPolarHBondContact O-CA 3.46Å; Y80-Y99 HydrophobicContact CD1-CD2 4.01Å; Y80-Y99 PolarHBondContact N-O 3.49Å; Y80-Y99 PolarHBondContact O-N 2.87Å
81	V	91.1	Very high	87.6	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.1	-172.3	-179.2	0	0	0	0	109.1	C73 N74 Y76 K83 T96 V98 Y205	C73-V81 CarbonylContact C-O 3.58Å; C73-V81 VanDerWaalsContact CA-O 3.25Å; C73-V81 WeakPolarHBondContact CA-O 3.21Å; N74-V81 PolarHBondContact N-O 3.08Å; N74-V81 PolarHBondContact O-N 3.27Å; Y76-V81 HydrophobicContact CD2-CG2 3.96Å; Y76-V81 HydrophobicContact CE2-CB 4.03Å; Y76-V81 HydrophobicContact CE2-CG2 3.73Å; V81-K83 HydrophobicContact CG1-CG 4.35Å; V81-T96 HydrophobicContact CG1-CG2 3.85Å; V81-V98 HydrophobicContact CG1-CG2 4.22Å; V81-V98 HydrophobicContact CG2-CG1 4.07Å; V81-V98 HydrophobicContact CG2-CG2 4.17Å; V81-Y205 HydrophobicContact CG2-CD2 3.87Å; V81-Y205 HydrophobicContact CG2-CG 4.24Å
82	C	91.5	Very high	87.7	Confident	11 Å²	11	51.9 Å²	51.9	7%	0.074	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.2	174.5	-77.9	0	0	0	0	110.7	S72 C73 Y80 T96 V97	S72-C82 CarbonylContact O-C 3.58Å; S72-C82 WeakPolarHBondContact O-CA 3.46Å; C73-C82 HydrophobicContact CB-CB 4.18Å; C73-C82 WeakPolarHBondContact CB-SG 3.43Å; C73-C82 VanDerWaalsContact SG-CA 3.59Å; C73-C82 WeakPolarHBondContact SG-CB 3.25Å; C73-C82 CovalentContact SG-SG 2.05Å; C73-C82 PolarHBondContact SG-SG 2.92Å; Y80-C82 WeakPolarHBondContact CE1-SG 3.48Å; Y80-C82 PolarHBondContact OH-SG 3.42Å; C82-T96 CarbonylContact O-C 3.59Å; C82-T96 WeakPolarHBondContact O-CA 3.4Å; C82-V97 PolarHBondContact N-O 3.49Å; C82-V97 PolarHBondContact O-N 2.72Å
83	K	91	Very high	87.9	Confident	39 Å²	39	50.6 Å²	50.6	17%	0.17	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.7	174.8	-60.8	-168.7	178.7	-173.5	0	110.1	C71 S72 V81 T94 K95 T96 D208	C71-K83 CarbonylContact C-O 3.47Å; C71-K83 VanDerWaalsContact CA-O 3.25Å; C71-K83 WeakPolarHBondContact CA-O 3.28Å; S72-K83 PolarHBondContact N-O 3.03Å; S72-K83 PolarHBondContact O-N 2.93Å; V81-K83 HydrophobicContact CG1-CG 4.35Å; K83-T94 HydrophobicContact CB-CG2 4.3Å; K83-K95 WeakPolarHBondContact CA-O 3.28Å; K83-T96 HydrophobicContact CG-CG2 3.97Å; K83-D208 IonicContact NZ-OD1 2.71Å; K83-D208 PolarHBondContact NZ-OD1 3.37Å; K83-D208 IonicContact NZ-OD2 3.73Å; K83-D208 PolarHBondContact NZ-OD2 3.29Å
84	S	91.7	Very high	88	Confident	30 Å²	30	50.1 Å²	50.1	21%	0.21	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	111.9	177.8	-56.4	0	0	0	0	109.2	K70 C71 T94 K95	K70-S84 CarbonylContact O-C 3.59Å; K70-S84 WeakPolarHBondContact O-CA 3.4Å; C71-S84 WeakPolarHBondContact SG-CB 3.23Å; C71-S84 PolarHBondContact SG-OG 3.2Å; S84-T94 CarbonylContact O-C 3.57Å; S84-T94 WeakPolarHBondContact O-CA 3.36Å; S84-K95 PolarHBondContact N-O 3.35Å; S84-K95 PolarHBondContact O-N 3.45Å
85	S	89.4	Confident	88.3	Confident	14 Å²	14	49.7 Å²	49.7	10%	0.098	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.6	-177.8	-50.8	0	0	0	0	110.8	T69 K70 E92 T93 T94	T69-S85 CarbonylContact C-O 3.55Å; T69-S85 VanDerWaalsContact CA-O 3.28Å; T69-S85 WeakPolarHBondContact CA-O 3.03Å; K70-S85 PolarHBondContact N-O 3.18Å; K70-S85 PolarHBondContact O-N 2.6Å; S85-E92 VanDerWaalsContact CB-OE1 3.29Å; S85-E92 WeakPolarHBondContact CB-OE1 3.04Å; S85-T93 CarbonylContact C-O 3.29Å; S85-T93 WeakPolarHBondContact CA-O 3.31Å; S85-T94 WeakPolarHBondContact CB-OG1 3.06Å; S85-T94 WeakPolarHBondContact OG-CG2 3.27Å; S85-T94 PolarHBondContact OG-OG1 3.49Å
86	I	89.4	Confident	88.7	Confident	55 Å²	55	43.7 Å²	43.7	28%	0.282	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.5	172.9	-58.6	172.7	0	0	0	107.5	W21 R68 T69 E92 T93	W21-I86 HydrophobicContact CZ2-CD1 4.07Å; R68-I86 WeakPolarHBondContact O-CA 3.41Å; T69-I86 HydrophobicContact CG2-CG1 4.38Å; I86-E92 WeakPolarHBondContact O-CA 3.49Å; I86-T93 PolarHBondContact N-O 2.85Å; I86-T93 PolarHBondContact O-N 2.87Å
87	T	87.5	Confident	89.1	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.8	171.3	-45.4	0	0	0	0	109.5	T62 Y64 N67 R68 V91 E92	T62-T87 HydrophobicContact CG2-CG2 3.56Å; Y64-T87 HydrophobicContact CD1-CG2 3.78Å; N67-T87 VanDerWaalsContact CA-O 3.26Å; N67-T87 WeakPolarHBondContact CA-O 3.25Å; R68-T87 PolarHBondContact N-O 2.8Å; R68-T87 VanDerWaalsContact N-O 3.14Å; R68-T87 PolarHBondContact O-N 2.81Å; T87-V91 CarbonylContact C-O 3.55Å; T87-V91 VanDerWaalsContact CA-O 3.31Å; T87-V91 WeakPolarHBondContact CA-O 3.33Å; T87-E92 HydrophobicContact CG2-CB 4.3Å
88	S	85	Confident	89.6	Confident	53 Å²	53	33.8 Å²	33.8	37%	0.371	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	130.9	173	164.6	0	0	0	0	109.5	N90 V91	S88-N90 PolarHBondContact O-N 2.82Å; S88-V91 PolarHBondContact N-O 3.37Å; S88-V91 PolarHBondContact O-N 3.25Å; S88-V91 VanDerWaalsContact O-N 3.08Å
89	K	82.4	Confident	89.9	Confident	178 Å²	178	33.3 Å²	33.3	77%	0.774	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	52.2	177.6	-60.3	-178.5	178.4	180	0	113.6	V91	K89-V91 PolarHBondContact O-N 2.76Å
90	N	83.1	Confident	90.1	Very high	63 Å²	63	34 Å²	34	34%	0.337	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	11.2	179.4	-55.4	-3.7	0	0	0	115.3	T61 T62 Y64 K65 S88	T61-N90 CarbonylContact C-O 3.58Å; T61-N90 WeakPolarHBondContact CA-O 2.89Å; T62-N90 PolarHBondContact N-O 3.2Å; T62-N90 WeakPolarHBondContact O-CA 3.45Å; T62-N90 WeakPolarHBondContact O-CB 3.43Å; Y64-N90 PolarHBondContact O-OD1 2.67Å; K65-N90 WeakPolarHBondContact CA-OD1 3.35Å; S88-N90 PolarHBondContact O-N 2.82Å
91	V	87.2	Confident	90.2	Very high	53 Å²	53	34.1 Å²	34.1	32%	0.321	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.5	173.9	-177.2	0	0	0	0	108.4	E59 T87 S88 K89	E59-V91 HydrophobicContact CB-CG1 4.34Å; T87-V91 CarbonylContact C-O 3.55Å; T87-V91 VanDerWaalsContact CA-O 3.31Å; T87-V91 WeakPolarHBondContact CA-O 3.33Å; S88-V91 PolarHBondContact N-O 3.37Å; S88-V91 PolarHBondContact O-N 3.25Å; S88-V91 VanDerWaalsContact O-N 3.08Å; K89-V91 PolarHBondContact O-N 2.76Å
92	E	88.1	Confident	90.4	Very high	26 Å²	26	35.2 Å²	35.2	12%	0.121	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	113.1	172.1	-175.7	163.9	-161.7	0	0	109	E59 T60 T62 K70 S85 I86 T87	E59-E92 WeakPolarHBondContact CA-O 3.44Å; T60-E92 PolarHBondContact N-O 2.89Å; T60-E92 PolarHBondContact O-N 3Å; T60-E92 PolarHBondContact OG1-O 2.94Å; T62-E92 HydrophobicContact CG2-CB 3.84Å; K70-E92 IonicContact NZ-OE1 3.75Å; K70-E92 PolarHBondContact NZ-OE1 2.86Å; K70-E92 IonicContact NZ-OE2 3.25Å; S85-E92 VanDerWaalsContact CB-OE1 3.29Å; S85-E92 WeakPolarHBondContact CB-OE1 3.04Å; I86-E92 WeakPolarHBondContact O-CA 3.49Å; T87-E92 HydrophobicContact CG2-CB 4.3Å
93	T	91.3	Very high	90.5	Very high	36 Å²	36	38 Å²	38	22%	0.221	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.6	175.3	-52.5	0	0	0	0	108.2	T57 N58 E59 S85 I86	T57-T93 HydrophobicContact CG2-CG2 3.51Å; N58-T93 CarbonylContact O-C 3.56Å; N58-T93 WeakPolarHBondContact O-CA 3.42Å; E59-T93 HydrophobicContact CG-CG2 3.98Å; S85-T93 CarbonylContact C-O 3.29Å; S85-T93 WeakPolarHBondContact CA-O 3.31Å; I86-T93 PolarHBondContact N-O 2.85Å; I86-T93 PolarHBondContact O-N 2.87Å
94	T	90.7	Very high	90.7	Very high	27 Å²	27	36.5 Å²	36.5	17%	0.166	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.9	179.8	-60.3	0	0	0	0	110.2	T57 N58 K83 S84 S85	T57-T94 CarbonylContact C-O 3.59Å; T57-T94 WeakPolarHBondContact CA-O 3.44Å; N58-T94 PolarHBondContact N-O 3.23Å; N58-T94 PolarHBondContact O-N 2.73Å; K83-T94 HydrophobicContact CB-CG2 4.3Å; S84-T94 CarbonylContact O-C 3.57Å; S84-T94 WeakPolarHBondContact O-CA 3.36Å; S85-T94 WeakPolarHBondContact CB-OG1 3.06Å; S85-T94 WeakPolarHBondContact OG-CG2 3.27Å; S85-T94 PolarHBondContact OG-OG1 3.49Å
95	K	93.8	Very high	90.9	Very high	49 Å²	49	37.9 Å²	37.9	21%	0.213	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.6	166.7	177	174.8	178.5	174.1	0	110.1	W21 E55 Y56 K83 S84 V97	W21-K95 HydrophobicContact CE3-CB 4.36Å; W21-K95 HydrophobicContact CE3-CD 3.62Å; W21-K95 HydrophobicContact CH2-CB 4.23Å; W21-K95 HydrophobicContact CH2-CD 4.45Å; W21-K95 HydrophobicContact CZ3-CB 3.49Å; W21-K95 VanDerWaalsContact CZ3-CB 3.49Å; W21-K95 HydrophobicContact CZ3-CD 3.27Å; W21-K95 HydrophobicContact CZ3-CG 3.95Å; E55-K95 WeakPolarHBondContact OE2-CE 3.08Å; E55-K95 IonicContact OE2-NZ 3.02Å; E55-K95 PolarHBondContact OE2-NZ 3.19Å; Y56-K95 WeakPolarHBondContact O-CA 3.07Å; K83-K95 WeakPolarHBondContact CA-O 3.28Å; S84-K95 PolarHBondContact N-O 3.35Å; S84-K95 PolarHBondContact O-N 3.45Å; K95-V97 HydrophobicContact CG-CG2 4.42Å
96	T	92.5	Very high	91.1	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.018	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.2	174.8	-56	0	0	0	0	109.4	E55 Y56 V81 C82 K83 V98	E55-T96 WeakPolarHBondContact CA-O 3.13Å; Y56-T96 HydrophobicContact CE1-CG2 3.76Å; Y56-T96 HydrophobicContact CE2-CG2 4.38Å; Y56-T96 VanDerWaalsContact CZ-CB 3.5Å; Y56-T96 PolarHBondContact N-O 2.82Å; Y56-T96 PolarHBondContact O-N 2.05Å; Y56-T96 WeakPolarHBondContact OH-CG2 3.42Å; V81-T96 HydrophobicContact CG1-CG2 3.85Å; C82-T96 CarbonylContact O-C 3.59Å; C82-T96 WeakPolarHBondContact O-CA 3.4Å; K83-T96 HydrophobicContact CG-CG2 3.97Å; T96-V98 HydrophobicContact CG2-CG2 3.9Å
97	V	93.3	Very high	91.1	Very high	12 Å²	12	38.9 Å²	38.9	7%	0.073	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.9	171.6	-177	0	0	0	0	107.6	K53 R54 E55 C82 K95 Y99	K53-V97 HydrophobicContact CG-CG1 4.41Å; R54-V97 WeakPolarHBondContact O-CA 3.12Å; E55-V97 HydrophobicContact CG-CB 4.43Å; E55-V97 HydrophobicContact CG-CG1 4.09Å; E55-V97 HydrophobicContact CG-CG2 4Å; C82-V97 PolarHBondContact N-O 3.49Å; C82-V97 PolarHBondContact O-N 2.72Å; K95-V97 HydrophobicContact CG-CG2 4.42Å; V97-Y99 HydrophobicContact CG1-CD2 4.09Å; V97-Y99 HydrophobicContact CG1-CE2 3.49Å; V97-Y99 VanDerWaalsContact CG1-CE2 3.49Å
98	V	93.4	Very high	91.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.5	178.2	-175.7	0	0	0	0	108.3	K53 R54 Y56 Y80 V81 T96 E100 Y205	K53-V98 CarbonylContact C-O 3.53Å; K53-V98 WeakPolarHBondContact CA-O 3.06Å; R54-V98 HydrophobicContact CB-CB 4.37Å; R54-V98 PolarHBondContact N-O 3.19Å; R54-V98 PolarHBondContact O-N 3.15Å; Y56-V98 HydrophobicContact CE1-CG2 4.25Å; Y80-V98 WeakPolarHBondContact O-CA 3.46Å; V81-V98 HydrophobicContact CG1-CG2 4.22Å; V81-V98 HydrophobicContact CG2-CG1 4.07Å; V81-V98 HydrophobicContact CG2-CG2 4.17Å; T96-V98 HydrophobicContact CG2-CG2 3.9Å; V98-E100 HydrophobicContact CG1-CB 4.13Å; V98-E100 HydrophobicContact CG1-CG 4.36Å; V98-Y205 HydrophobicContact CG1-CD2 4.43Å; V98-Y205 HydrophobicContact CG1-CE2 3.99Å
99	Y	93.9	Very high	91.1	Very high	33 Å²	33	47.9 Å²	47.9	13%	0.129	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.3	163.1	-61.8	-97.8	0	0	0	107.9	L46 V51 C52 K53 A79 Y80 V97	L46-Y99 HydrophobicContact CB-CD1 4.49Å; L46-Y99 HydrophobicContact CD1-CD2 4.24Å; L46-Y99 HydrophobicContact CD1-CG 4.23Å; L46-Y99 HydrophobicContact CD2-CD1 4.47Å; L46-Y99 HydrophobicContact CD2-CG 4.01Å; V51-Y99 HydrophobicContact CG1-CD1 4.36Å; C52-Y99 WeakPolarHBondContact O-CA 3.5Å; K53-Y99 HydrophobicContact CB-CD1 4.33Å; K53-Y99 HydrophobicContact CB-CE1 4.38Å; K53-Y99 HydrophobicContact CD-CD1 4.45Å; K53-Y99 HydrophobicContact CD-CE1 3.71Å; K53-Y99 VanDerWaalsContact CE-OH 3.31Å; K53-Y99 WeakPolarHBondContact CE-OH 3.41Å; K53-Y99 HydrophobicContact CG-CD1 4.17Å; K53-Y99 HydrophobicContact CG-CE1 3.9Å; K53-Y99 PolarHBondContact NZ-OH 3.3Å; A79-Y99 CarbonylContact C-O 3.54Å; A79-Y99 WeakPolarHBondContact CA-O 3.38Å; Y80-Y99 HydrophobicContact CD1-CD2 4.01Å; Y80-Y99 PolarHBondContact N-O 3.49Å; Y80-Y99 PolarHBondContact O-N 2.87Å; V97-Y99 HydrophobicContact CG1-CD2 4.09Å; V97-Y99 HydrophobicContact CG1-CE2 3.49Å; V97-Y99 VanDerWaalsContact CG1-CE2 3.49Å
100	E	93.7	Very high	91.1	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.075	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	164.8	-174.6	65.1	-168.4	163.9	0	0	110.4	V51 C52 R54 N78 A79 V98 C102 H203 Y205	V51-E100 CarbonylContact C-O 3.56Å; V51-E100 WeakPolarHBondContact CA-O 3.02Å; C52-E100 HydrophobicContact CB-CG 4.34Å; C52-E100 PolarHBondContact N-O 3.35Å; C52-E100 PolarHBondContact O-N 3.36Å; R54-E100 IonicContact CZ-OE1 3.73Å; R54-E100 IonicContact CZ-OE2 2.81Å; R54-E100 IonicContact NE-OE1 2.66Å; R54-E100 PolarHBondContact NE-OE1 2.83Å; R54-E100 IonicContact NE-OE2 3.15Å; R54-E100 IonicContact NH2-OE1 3.41Å; R54-E100 PolarHBondContact NH2-OE1 3.37Å; R54-E100 IonicContact NH2-OE2 2.87Å; R54-E100 PolarHBondContact NH2-OE2 3.36Å; N78-E100 WeakPolarHBondContact O-CA 2.86Å; A79-E100 HydrophobicContact CB-CB 3.98Å; V98-E100 HydrophobicContact CG1-CB 4.13Å; V98-E100 HydrophobicContact CG1-CG 4.36Å; E100-C102 PolarHBondContact O-N 3.11Å; E100-H203 IonicContact OE2-CE1 2.66Å; E100-H203 IonicContact OE2-ND1 3.79Å; E100-Y205 WeakPolarHBondContact OE2-CE2 3.34Å; E100-Y205 PolarHBondContact OE2-OH 3.33Å
101	C	94.7	Very high	91.3	Very high	14 Å²	14	45 Å²	45	10%	0.095	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	132.8	168	-63.3	0	0	0	0	111	N78 F105 R107 C114	N78-C101 PolarHBondContact O-N 2.99Å; C101-F105 WeakPolarHBondContact CB-O 3.4Å; C101-R107 WeakPolarHBondContact SG-CG 3.49Å; C101-C114 WeakPolarHBondContact CA-SG 3.34Å; C101-C114 HydrophobicContact CB-CB 3.59Å; C101-C114 WeakPolarHBondContact CB-SG 3.28Å; C101-C114 WeakPolarHBondContact SG-CB 3.4Å; C101-C114 CovalentContact SG-SG 2.03Å; C101-C114 PolarHBondContact SG-SG 3.37Å
102	C	95.1	Very high	91.4	Very high	25 Å²	25	49.3 Å²	49.3	17%	0.169	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-57.9	146.2	171.1	-65	0	0	0	0	110.3	N50 C52 E100 G104 F105	N50-C102 VanDerWaalsContact C-SG 3.56Å; N50-C102 WeakPolarHBondContact O-CB 3.26Å; N50-C102 PolarHBondContact O-N 3.32Å; N50-C102 PolarHBondContact O-SG 2.89Å; N50-C102 VanDerWaalsContact O-SG 3.34Å; C52-C102 VanDerWaalsContact CA-SG 3.56Å; C52-C102 HydrophobicContact CB-CB 4.1Å; C52-C102 WeakPolarHBondContact CB-SG 3.41Å; C52-C102 PolarHBondContact N-SG 3.49Å; C52-C102 WeakPolarHBondContact SG-CA 3.47Å; C52-C102 WeakPolarHBondContact SG-CB 3.45Å; C52-C102 CovalentContact SG-SG 2.05Å; C52-C102 PolarHBondContact SG-SG 3.25Å; E100-C102 PolarHBondContact O-N 3.11Å; C102-G104 PolarHBondContact O-N 3.35Å; C102-F105 HydrophobicContact CB-CD2 4.12Å; C102-F105 WeakPolarHBondContact O-CB 3.47Å; C102-F105 PolarHBondContact O-N 3.09Å
103	H	94.3	Very high	91.5	Very high	68 Å²	68	48 Å²	48	32%	0.315	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	124.9	-178.8	-169.4	57.2	0	0	0	111.8	F248 S249	H103-F248 PolarHBondContact CE1-O 3.15Å; H103-F248 PolarHBondContact NE2-O 3.47Å; H103-S249 PolarHBondContact NE2-O 2.74Å
104	G	94.8	Very high	91.6	Very high	8 Å²	8	46.3 Å²	46.3	8%	0.082	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	7.5	-173	0	0	0	0	0	115.3	C102 I118	C102-G104 PolarHBondContact O-N 3.35Å; G104-I118 PolarHBondContact O-N 3.06Å
105	F	95.5	Very high	91.7	Very high	59 Å²	59	47.1 Å²	47.1	26%	0.259	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.9	173.5	-62.9	-89.6	0	0	0	111.8	N50 C101 C102 C114 Q116 K117	N50-F105 HydrophobicContact CB-CB 3.98Å; N50-F105 HydrophobicContact CB-CD1 3.83Å; N50-F105 HydrophobicContact CB-CD2 3.86Å; N50-F105 HydrophobicContact CB-CE1 4.25Å; N50-F105 HydrophobicContact CB-CE2 4.27Å; N50-F105 HydrophobicContact CB-CG 3.6Å; N50-F105 HydrophobicContact CB-CZ 4.45Å; N50-F105 VanDerWaalsContact CG-CE1 3.48Å; N50-F105 WeakPolarHBondContact ND2-CD1 3.27Å; N50-F105 WeakPolarHBondContact ND2-CE1 3.45Å; C101-F105 WeakPolarHBondContact CB-O 3.4Å; C102-F105 HydrophobicContact CB-CD2 4.12Å; C102-F105 WeakPolarHBondContact O-CB 3.47Å; C102-F105 PolarHBondContact O-N 3.09Å; F105-C114 HydrophobicContact CB-CB 3.83Å; F105-Q116 CarbonylContact C-O 3.45Å; F105-Q116 VanDerWaalsContact CA-O 3.24Å; F105-Q116 WeakPolarHBondContact CA-O 3.39Å; F105-K117 HydrophobicContact CD1-CB 4.47Å; F105-K117 HydrophobicContact CE1-CB 4.37Å; F105-K117 HydrophobicContact CE1-CG 4.32Å
106	D	92.7	Very high	91.7	Very high	31 Å²	31	49.1 Å²	49.1	17%	0.166	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	166.8	177.4	-144.2	-24.9	0	0	0	110.9	N78 C114 S115 Q116 I118	N78-D106 PolarHBondContact ND2-OD1 3.34Å; N78-D106 PolarHBondContact OD1-OD1 3.27Å; D106-C114 CarbonylContact O-C 3.21Å; D106-C114 WeakPolarHBondContact O-CA 3.33Å; D106-C114 WeakPolarHBondContact O-CB 3.41Å; D106-S115 PolarHBondContact O-N 3.45Å; D106-Q116 HydrophobicContact CB-CB 4.02Å; D106-Q116 HydrophobicContact CB-CG 4.17Å; D106-Q116 PolarHBondContact N-O 3.1Å; D106-Q116 PolarHBondContact O-N 2.86Å; D106-Q116 VanDerWaalsContact O-N 3.14Å; D106-I118 HydrophobicContact CB-CD1 3.69Å; D106-I118 HydrophobicContact CB-CG1 3.87Å
107	R	90.1	Very high	91.8	Very high	59 Å²	59	56 Å²	56	22%	0.223	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-88.3	132	174.6	-62.7	-176.1	60.5	-150.4	-1.3	111	W45 Q77 C101	W45-R107 VanDerWaalsContact CD1-NH2 3.32Å; W45-R107 HydrophobicContact CE3-CG 4.41Å; W45-R107 HydrophobicContact CZ3-CG 4.41Å; Q77-R107 VanDerWaalsContact O-CD 3.24Å; Q77-R107 WeakPolarHBondContact O-CD 3.32Å; Q77-R107 PolarHBondContact O-NH1 3.05Å; C101-R107 WeakPolarHBondContact SG-CG 3.49Å
108	T	88.3	Confident	91.7	Very high	37 Å²	37	57.3 Å²	57.3	23%	0.227	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-91.8	127.7	156	56.2	0	0	0	0	109.1	G110 E111 S115 Q116	T108-G110 PolarHBondContact O-N 3.47Å; T108-E111 PolarHBondContact O-N 3.16Å; T108-E111 VanDerWaalsContact OG1-CB 3.24Å; T108-E111 WeakPolarHBondContact OG1-CB 3.28Å; T108-E111 WeakPolarHBondContact OG1-CG 3.46Å; T108-E111 PolarHBondContact OG1-OE2 3.45Å; T108-E111 VanDerWaalsContact OG1-OE2 3.08Å; T108-S115 PolarHBondContact OG1-OG 2.95Å; T108-Q116 HydrophobicContact CG2-CB 3.78Å
109	F	83.2	Confident	91.7	Very high	209 Å²	209	64.5 Å²	64.5	92%	0.917	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	129	178.6	-173.8	-95.2	0	0	0	111.2
110	G	83.7	Confident	91.8	Very high	73 Å²	73	65.5 Å²	65.5	75%	0.753	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	-14.2	-179.2	0	0	0	0	0	115.5	T108	T108-G110 PolarHBondContact O-N 3.47Å
111	E	86.9	Confident	91.9	Very high	108 Å²	108	66.5 Å²	66.5	51%	0.505	34%	0.339	S	S	.	.	S	Bend	trans	-94.8	161.2	176.8	-58.6	-169.5	-179.5	0	0	112.6	T108 S115	T108-E111 PolarHBondContact O-N 3.16Å; T108-E111 VanDerWaalsContact OG1-CB 3.24Å; T108-E111 WeakPolarHBondContact OG1-CB 3.28Å; T108-E111 WeakPolarHBondContact OG1-CG 3.46Å; T108-E111 PolarHBondContact OG1-OE2 3.45Å; T108-E111 VanDerWaalsContact OG1-OE2 3.08Å; E111-S115 WeakPolarHBondContact OE2-CB 3.23Å; E111-S115 PolarHBondContact OE2-OG 3.47Å
112	K	88.9	Confident	91.9	Very high	142 Å²	142	69.2 Å²	69.2	62%	0.617	36%	0.356	S	S	*	.	S	Bend	trans	-83.6	138.2	172.4	-65.1	-173.8	179.3	177.7	0	109.8	P44	P44-K112 WeakPolarHBondContact O-CG 3.24Å
113	G	90.6	Very high	91.8	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.352	C	S	.	.	S	Bend	trans	74.7	-152.9	177	0	0	0	0	0	113.1	W45 P49	W45-G113 WeakPolarHBondContact O-CA 3.13Å; W45-G113 PolarHBondContact O-N 2.96Å; P49-G113 WeakPolarHBondContact O-CA 3.42Å
114	C	94.1	Very high	91.8	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.345	C	S	.	.			trans	-118.5	83	178.2	-55.3	0	0	0	0	108.6	P49 N50 C101 F105 D106	P49-C114 PolarHBondContact O-N 3.27Å; N50-C114 HydrophobicContact CB-CB 4.19Å; N50-C114 WeakPolarHBondContact CB-O 3.32Å; N50-C114 PolarHBondContact ND2-O 3.3Å; C101-C114 WeakPolarHBondContact CA-SG 3.34Å; C101-C114 HydrophobicContact CB-CB 3.59Å; C101-C114 WeakPolarHBondContact CB-SG 3.28Å; C101-C114 WeakPolarHBondContact SG-CB 3.4Å; C101-C114 CovalentContact SG-SG 2.03Å; C101-C114 PolarHBondContact SG-SG 3.37Å; F105-C114 HydrophobicContact CB-CB 3.83Å; D106-C114 CarbonylContact O-C 3.21Å; D106-C114 WeakPolarHBondContact O-CA 3.33Å; D106-C114 WeakPolarHBondContact O-CB 3.41Å
115	S	91.7	Very high	91.9	Very high	43 Å²	43	70.5 Å²	70.5	30%	0.301	36%	0.363	S	S	.	.			trans	-82.7	-24.9	-173.3	50.1	0	0	0	0	113.4	D106 T108 E111 K117	D106-S115 PolarHBondContact O-N 3.45Å; T108-S115 PolarHBondContact OG1-OG 2.95Å; E111-S115 WeakPolarHBondContact OE2-CB 3.23Å; E111-S115 PolarHBondContact OE2-OG 3.47Å; S115-K117 PolarHBondContact O-N 3.32Å
116	Q	93.3	Very high	91.9	Very high	91 Å²	91	68.4 Å²	68.4	43%	0.425	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	118.9	178.9	178.6	172.9	2.2	0	0	109.7	F105 D106 T108	F105-Q116 CarbonylContact C-O 3.45Å; F105-Q116 VanDerWaalsContact CA-O 3.24Å; F105-Q116 WeakPolarHBondContact CA-O 3.39Å; D106-Q116 HydrophobicContact CB-CB 4.02Å; D106-Q116 HydrophobicContact CB-CG 4.17Å; D106-Q116 PolarHBondContact N-O 3.1Å; D106-Q116 PolarHBondContact O-N 2.86Å; D106-Q116 VanDerWaalsContact O-N 3.14Å; T108-Q116 HydrophobicContact CG2-CB 3.78Å
117	K	94.6	Very high	92.1	Very high	148 Å²	148	66.9 Å²	66.9	64%	0.643	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.3	171.9	-170.1	176.2	-178.2	179.5	0	109.8	F105 S115	F105-K117 HydrophobicContact CD1-CB 4.47Å; F105-K117 HydrophobicContact CE1-CB 4.37Å; F105-K117 HydrophobicContact CE1-CG 4.32Å; S115-K117 PolarHBondContact O-N 3.32Å
118	I	93.1	Very high	92.4	Very high	39 Å²	39	67.8 Å²	67.8	20%	0.2	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-90.6	133.4	172.9	-57.7	166.6	0	0	0	108.4	G104 D106 L120 P247	G104-I118 PolarHBondContact O-N 3.06Å; D106-I118 HydrophobicContact CB-CD1 3.69Å; D106-I118 HydrophobicContact CB-CG1 3.87Å; I118-L120 PolarHBondContact O-N 3.47Å; I118-P247 HydrophobicContact CD1-CG 4.16Å; I118-P247 HydrophobicContact CG2-CG 4.31Å
119	Q	93.4	Very high	92.7	Very high	151 Å²	151	71.4 Å²	71.4	71%	0.706	37%	0.369	S	S	*	.			trans	-76.7	108.3	170.4	-62.1	-66.8	21.6	0	0	109.5
120	L	95.3	Very high	93.4	Very high	54 Å²	54	62.2 Å²	62.2	28%	0.283	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-79.4	120.5	176.1	-61.1	176	0	0	0	109.7	I118 P247	I118-L120 PolarHBondContact O-N 3.47Å; L120-P247 HydrophobicContact CD2-CB 3.91Å; L120-P247 HydrophobicContact CD2-CG 4.45Å
121	T	95.6	Very high	94	Very high	38 Å²	38	66.8 Å²	66.8	23%	0.233	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-102.3	153	176.7	50.9	0	0	0	0	110.9	F248 S249	T121-F248 WeakPolarHBondContact O-CB 3.5Å; T121-S249 PolarHBondContact O-N 3.39Å; T121-S249 PolarHBondContact O-OG 2.89Å; T121-S249 VanDerWaalsContact O-OG 3.06Å
122	P	94.6	Very high	94.4	Very high	71 Å²	71	61.8 Å²	61.8	46%	0.461	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-53.4	152.8	171.7	-25.9	34.4	0	0	0	112	V124 D125 K126	P122-V124 PolarHBondContact O-N 3.4Å; P122-D125 WeakPolarHBondContact CD-OD2 3.25Å; P122-D125 WeakPolarHBondContact O-CB 3.39Å; P122-D125 PolarHBondContact O-N 3.15Å; P122-K126 PolarHBondContact O-N 2.78Å
123	L	93.8	Very high	94.6	Very high	16 Å²	16	57.5 Å²	57.5	8%	0.084	29%	0.293	C	S	.	.	H	α-helix	trans	-49.2	-50.8	-174.6	173.4	55.7	0	0	0	113.8	D125 K126 L127 F139 I155 F248 I253	L123-D125 VanDerWaalsContact C-N 3.31Å; L123-D125 PolarHBondContact O-N 2.81Å; L123-K126 PolarHBondContact O-N 3.23Å; L123-L127 HydrophobicContact CD1-CD1 3.86Å; L123-L127 HydrophobicContact CD1-CD2 4.45Å; L123-L127 HydrophobicContact CD1-CG 3.91Å; L123-L127 HydrophobicContact CG-CD1 4.01Å; L123-L127 HydrophobicContact CG-CG 4.48Å; L123-L127 WeakPolarHBondContact O-CG 3.25Å; L123-L127 PolarHBondContact O-N 3.49Å; L123-F139 HydrophobicContact CD2-CD1 3.88Å; L123-F139 HydrophobicContact CD2-CE1 3.26Å; L123-F139 HydrophobicContact CD2-CZ 3.66Å; L123-F139 HydrophobicContact CG-CE1 4.41Å; L123-I155 HydrophobicContact CD1-CD1 3.64Å; L123-I155 HydrophobicContact CD2-CD1 3.36Å; L123-I155 HydrophobicContact CG-CD1 4.15Å; L123-F248 HydrophobicContact CB-CD2 3.72Å; L123-F248 HydrophobicContact CB-CE2 3.74Å; L123-F248 HydrophobicContact CB-CG 4.5Å; L123-F248 HydrophobicContact CD1-CD1 4.23Å; L123-F248 HydrophobicContact CD1-CD2 4.14Å; L123-F248 HydrophobicContact CD1-CE1 4.05Å; L123-F248 HydrophobicContact CD1-CE2 3.96Å; L123-F248 HydrophobicContact CD1-CG 4.27Å; L123-F248 HydrophobicContact CD1-CZ 3.93Å; L123-F248 HydrophobicContact CD2-CE2 4.32Å; L123-F248 HydrophobicContact CG-CD2 4.47Å; L123-F248 HydrophobicContact CG-CE2 4.22Å; L123-I253 HydrophobicContact CD1-CD1 3.81Å; L123-I253 HydrophobicContact CD1-CG1 4.11Å
124	V	94.2	Very high	94.6	Very high	26 Å²	26	59.6 Å²	59.6	16%	0.158	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-40.7	-177.5	177.9	0	0	0	0	111.1	P122 L127 N128 A136 Q140 A145	P122-V124 PolarHBondContact O-N 3.4Å; V124-L127 PolarHBondContact O-N 3.43Å; V124-N128 PolarHBondContact O-N 3.08Å; V124-N128 PolarHBondContact O-ND2 3.36Å; V124-N128 VanDerWaalsContact O-ND2 3.1Å; V124-A136 HydrophobicContact CG1-CB 4.44Å; V124-Q140 HydrophobicContact CG2-CB 4.44Å; V124-A145 HydrophobicContact CG2-CB 4.36Å
125	D	95.5	Very high	94.4	Very high	86 Å²	86	59.8 Å²	59.8	46%	0.46	30%	0.304	S	S	.	.	H	α-helix	trans	-65.6	-41.5	176.9	-62	-24	0	0	0	111	P122 L123 N128 E129	P122-D125 WeakPolarHBondContact CD-OD2 3.25Å; P122-D125 WeakPolarHBondContact O-CB 3.39Å; P122-D125 PolarHBondContact O-N 3.15Å; L123-D125 VanDerWaalsContact C-N 3.31Å; L123-D125 PolarHBondContact O-N 2.81Å; D125-N128 PolarHBondContact O-N 2.97Å; D125-E129 WeakPolarHBondContact O-CB 3.44Å; D125-E129 PolarHBondContact O-N 2.72Å
126	K	96.1	Very high	94.5	Very high	14 Å²	14	57.9 Å²	57.9	6%	0.061	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-40.4	176.4	-169.9	60.8	173.8	-179	0	112.4	P122 L123 N128 E129 L130 P247 F248 I253	P122-K126 PolarHBondContact O-N 2.78Å; L123-K126 PolarHBondContact O-N 3.23Å; K126-N128 VanDerWaalsContact C-N 3.32Å; K126-N128 PolarHBondContact O-N 3.34Å; K126-E129 VanDerWaalsContact CD-OE2 3.28Å; K126-E129 WeakPolarHBondContact CD-OE2 3.44Å; K126-E129 VanDerWaalsContact NZ-CD 3.29Å; K126-E129 IonicContact NZ-OE1 3.35Å; K126-E129 PolarHBondContact NZ-OE1 3.31Å; K126-E129 IonicContact NZ-OE2 4Å; K126-E129 PolarHBondContact NZ-OE2 3.09Å; K126-E129 WeakPolarHBondContact O-CB 3.32Å; K126-E129 PolarHBondContact O-N 2.82Å; K126-L130 HydrophobicContact CG-CD1 4.18Å; K126-L130 WeakPolarHBondContact O-CB 3.34Å; K126-L130 VanDerWaalsContact O-CG 3.27Å; K126-L130 WeakPolarHBondContact O-CG 3.09Å; K126-L130 PolarHBondContact O-N 2.85Å; K126-P247 VanDerWaalsContact CE-O 3.28Å; K126-P247 WeakPolarHBondContact CE-O 3.46Å; K126-F248 HydrophobicContact CB-CB 3.81Å; K126-F248 HydrophobicContact CG-CB 3.97Å; K126-I253 HydrophobicContact CB-CD1 4.01Å; K126-I253 HydrophobicContact CG-CD1 3.67Å
127	L	96.3	Very high	94.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-42	175	-70.3	169	0	0	0	111.2	L123 V124 L130 K131 L132 F135 A136 A157 I253	L123-L127 HydrophobicContact CD1-CD1 3.86Å; L123-L127 HydrophobicContact CD1-CD2 4.45Å; L123-L127 HydrophobicContact CD1-CG 3.91Å; L123-L127 HydrophobicContact CG-CD1 4.01Å; L123-L127 HydrophobicContact CG-CG 4.48Å; L123-L127 WeakPolarHBondContact O-CG 3.25Å; L123-L127 PolarHBondContact O-N 3.49Å; V124-L127 PolarHBondContact O-N 3.43Å; L127-L130 CarbonylContact O-C 3.58Å; L127-L130 PolarHBondContact O-N 2.97Å; L127-K131 PolarHBondContact O-N 2.71Å; L127-L132 HydrophobicContact CB-CB 4.44Å; L127-L132 HydrophobicContact CD2-CB 4.36Å; L127-L132 HydrophobicContact CD2-CD1 3.93Å; L127-L132 WeakPolarHBondContact O-CB 3.46Å; L127-L132 PolarHBondContact O-N 3.04Å; L127-F135 HydrophobicContact CD1-CD1 3.92Å; L127-F135 HydrophobicContact CD1-CE1 4.23Å; L127-F135 HydrophobicContact CD2-CD1 3.86Å; L127-F135 HydrophobicContact CD2-CE1 4.24Å; L127-A136 HydrophobicContact CB-CB 3.73Å; L127-A136 HydrophobicContact CD1-CB 4.15Å; L127-A157 HydrophobicContact CD2-CB 3.88Å; L127-I253 HydrophobicContact CD2-CD1 3.9Å; L127-I253 HydrophobicContact CD2-CG1 4.4Å; L127-I253 HydrophobicContact CD2-CG2 4.38Å; L127-I253 HydrophobicContact CG-CD1 4.2Å
128	N	96.3	Very high	94	Very high	77 Å²	77	48.7 Å²	48.7	41%	0.412	25%	0.253	S	S	.	.	H	α-helix	trans	-65.8	-42.1	175.5	-72.7	-39.2	0	0	0	112.4	V124 D125 K126 L130 K131	V124-N128 PolarHBondContact O-N 3.08Å; V124-N128 PolarHBondContact O-ND2 3.36Å; V124-N128 VanDerWaalsContact O-ND2 3.1Å; D125-N128 PolarHBondContact O-N 2.97Å; K126-N128 VanDerWaalsContact C-N 3.32Å; K126-N128 PolarHBondContact O-N 3.34Å; N128-L130 VanDerWaalsContact C-N 3.26Å; N128-L130 PolarHBondContact O-N 2.82Å; N128-K131 WeakPolarHBondContact O-CA 3.48Å; N128-K131 PolarHBondContact O-N 2.97Å
129	E	96.4	Very high	93.8	Very high	114 Å²	114	46.9 Å²	46.9	53%	0.533	24%	0.244	S	C	.	.	H	α-helix	trans	-57.6	-40.3	173.4	-172.7	-160.1	132.1	0	0	111.6	D125 K126 K131	D125-E129 WeakPolarHBondContact O-CB 3.44Å; D125-E129 PolarHBondContact O-N 2.72Å; K126-E129 VanDerWaalsContact CD-OE2 3.28Å; K126-E129 WeakPolarHBondContact CD-OE2 3.44Å; K126-E129 VanDerWaalsContact NZ-CD 3.29Å; K126-E129 IonicContact NZ-OE1 3.35Å; K126-E129 PolarHBondContact NZ-OE1 3.31Å; K126-E129 IonicContact NZ-OE2 4Å; K126-E129 PolarHBondContact NZ-OE2 3.09Å; K126-E129 WeakPolarHBondContact O-CB 3.32Å; K126-E129 PolarHBondContact O-N 2.82Å; E129-K131 PolarHBondContact O-N 3.35Å
130	L	96.7	Very high	93.6	Very high	15 Å²	15	45.5 Å²	45.5	8%	0.079	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	1.8	176.2	-66.6	174.1	0	0	0	113.8	K126 L127 N128 L132 Q246 I253 V255	K126-L130 HydrophobicContact CG-CD1 4.18Å; K126-L130 WeakPolarHBondContact O-CB 3.34Å; K126-L130 VanDerWaalsContact O-CG 3.27Å; K126-L130 WeakPolarHBondContact O-CG 3.09Å; K126-L130 PolarHBondContact O-N 2.85Å; L127-L130 CarbonylContact O-C 3.58Å; L127-L130 PolarHBondContact O-N 2.97Å; N128-L130 VanDerWaalsContact C-N 3.26Å; N128-L130 PolarHBondContact O-N 2.82Å; L130-L132 HydrophobicContact CB-CD1 3.91Å; L130-L132 HydrophobicContact CB-CG 3.91Å; L130-L132 HydrophobicContact CD1-CD1 4.36Å; L130-Q246 HydrophobicContact CD1-CB 3.89Å; L130-Q246 HydrophobicContact CD1-CG 4.07Å; L130-Q246 HydrophobicContact CD2-CB 4.42Å; L130-Q246 HydrophobicContact CD2-CG 4Å; L130-I253 HydrophobicContact CD1-CB 4.19Å; L130-I253 HydrophobicContact CD1-CD1 4.03Å; L130-I253 HydrophobicContact CD1-CG2 3.91Å; L130-V255 HydrophobicContact CD1-CG2 4.16Å
131	K	96.3	Very high	93.1	Very high	170 Å²	170	47.9 Å²	47.9	74%	0.739	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	35.2	-177.4	-52.3	-179.3	178.7	-177.2	0	113.8	L127 N128 E129 N160	L127-K131 PolarHBondContact O-N 2.71Å; N128-K131 WeakPolarHBondContact O-CA 3.48Å; N128-K131 PolarHBondContact O-N 2.97Å; E129-K131 PolarHBondContact O-N 3.35Å; K131-N160 PolarHBondContact O-ND2 2.68Å
132	L	95.6	Very high	92.7	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	23%	0.232	C	C	.	.			trans	-106.1	44.2	-179.9	-49.6	177.1	0	0	0	111.1	L127 L130 Q134 F135 A136 A157 I253 V255	L127-L132 HydrophobicContact CB-CB 4.44Å; L127-L132 HydrophobicContact CD2-CB 4.36Å; L127-L132 HydrophobicContact CD2-CD1 3.93Å; L127-L132 WeakPolarHBondContact O-CB 3.46Å; L127-L132 PolarHBondContact O-N 3.04Å; L130-L132 HydrophobicContact CB-CD1 3.91Å; L130-L132 HydrophobicContact CB-CG 3.91Å; L130-L132 HydrophobicContact CD1-CD1 4.36Å; L132-Q134 PolarHBondContact O-N 2.88Å; L132-F135 HydrophobicContact CB-CB 4.5Å; L132-F135 PolarHBondContact O-N 3.17Å; L132-A136 WeakPolarHBondContact O-CB 3.46Å; L132-A136 PolarHBondContact O-N 3.09Å; L132-A157 HydrophobicContact CD1-CB 3.68Å; L132-I253 HydrophobicContact CD1-CG2 4.47Å; L132-V255 HydrophobicContact CD1-CG1 4.25Å; L132-V255 HydrophobicContact CD1-CG2 3.94Å; L132-V255 HydrophobicContact CD2-CG1 3.87Å
133	S	92.5	Very high	92.4	Very high	51 Å²	51	43.8 Å²	43.8	36%	0.357	22%	0.22	S	C	.	.	H	α-helix	trans	-62.1	-34.7	-168.7	54	0	0	0	0	114.4	A136 T137 N160	S133-A136 PolarHBondContact O-N 2.81Å; S133-T137 WeakPolarHBondContact O-CB 3.4Å; S133-T137 PolarHBondContact O-N 3.45Å; S133-T137 PolarHBondContact O-OG1 2.92Å; S133-N160 PolarHBondContact N-OD1 2.74Å; S133-N160 PolarHBondContact OG-ND2 3.33Å
134	Q	90	Very high	92.1	Very high	45 Å²	45	43 Å²	43	21%	0.21	22%	0.216	C	C	.	.	H	α-helix	trans	-67.9	-45.7	177.8	-65.6	-176	27.8	0	0	110.7	L132 T137 A138 N160 L163	L132-Q134 PolarHBondContact O-N 2.88Å; Q134-T137 PolarHBondContact O-N 2.84Å; Q134-A138 PolarHBondContact O-N 2.85Å; Q134-N160 WeakPolarHBondContact CB-OD1 3.48Å; Q134-N160 PolarHBondContact N-OD1 3.14Å; Q134-L163 HydrophobicContact CB-CD1 3.68Å
135	F	91.3	Very high	91.8	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-42.7	174.9	-172.3	-97.2	0	0	0	111.5	L127 L132 T137 A138 F139 I155 A157 P158 L163 L193	L127-F135 HydrophobicContact CD1-CD1 3.92Å; L127-F135 HydrophobicContact CD1-CE1 4.23Å; L127-F135 HydrophobicContact CD2-CD1 3.86Å; L127-F135 HydrophobicContact CD2-CE1 4.24Å; L132-F135 HydrophobicContact CB-CB 4.5Å; L132-F135 PolarHBondContact O-N 3.17Å; F135-T137 VanDerWaalsContact C-N 3.31Å; F135-T137 PolarHBondContact O-N 2.94Å; F135-A138 PolarHBondContact O-N 3.29Å; F135-F139 HydrophobicContact CE1-CD2 4.08Å; F135-F139 HydrophobicContact CZ-CD2 4.2Å; F135-F139 VanDerWaalsContact O-CB 3.26Å; F135-F139 WeakPolarHBondContact O-CB 3.43Å; F135-F139 PolarHBondContact O-N 3.01Å; F135-I155 HydrophobicContact CE1-CG2 3.78Å; F135-I155 HydrophobicContact CZ-CG2 3.92Å; F135-A157 HydrophobicContact CD1-CB 3.8Å; F135-A157 HydrophobicContact CE1-CB 3.8Å; F135-A157 HydrophobicContact CG-CB 4.33Å; F135-A157 HydrophobicContact CZ-CB 4.31Å; F135-P158 VanDerWaalsContact CD2-CD 3.46Å; F135-P158 HydrophobicContact CD2-CG 3.79Å; F135-P158 HydrophobicContact CE2-CG 4.28Å; F135-P158 HydrophobicContact CG-CG 4.49Å; F135-L163 HydrophobicContact CB-CD1 4.17Å; F135-L193 HydrophobicContact CD2-CD2 3.91Å; F135-L193 HydrophobicContact CE2-CD2 3.36Å; F135-L193 HydrophobicContact CZ-CD2 3.94Å
136	A	93	Very high	91.5	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.017	23%	0.227	C	C	.	.	H	α-helix	trans	-56.5	-44.4	175.1	0	0	0	0	0	112.1	V124 L127 L132 S133 F139 Q140	V124-A136 HydrophobicContact CG1-CB 4.44Å; L127-A136 HydrophobicContact CB-CB 3.73Å; L127-A136 HydrophobicContact CD1-CB 4.15Å; L132-A136 WeakPolarHBondContact O-CB 3.46Å; L132-A136 PolarHBondContact O-N 3.09Å; S133-A136 PolarHBondContact O-N 2.81Å; A136-F139 PolarHBondContact O-N 2.86Å; A136-Q140 WeakPolarHBondContact O-CB 3.42Å; A136-Q140 PolarHBondContact O-N 3.08Å
137	T	89.7	Confident	91.1	Very high	46 Å²	46	48.6 Å²	48.6	28%	0.282	25%	0.247	S	C	.	.	H	α-helix	trans	-64.3	-48.4	178.4	-58	0	0	0	0	111.5	S133 Q134 F135 F139 Q140 R141	S133-T137 WeakPolarHBondContact O-CB 3.4Å; S133-T137 PolarHBondContact O-N 3.45Å; S133-T137 PolarHBondContact O-OG1 2.92Å; Q134-T137 PolarHBondContact O-N 2.84Å; F135-T137 VanDerWaalsContact C-N 3.31Å; F135-T137 PolarHBondContact O-N 2.94Å; T137-F139 VanDerWaalsContact C-N 3.31Å; T137-F139 PolarHBondContact O-N 2.85Å; T137-Q140 PolarHBondContact O-N 2.03Å; T137-R141 WeakPolarHBondContact O-CB 3.38Å; T137-R141 WeakPolarHBondContact O-CG 3.27Å; T137-R141 PolarHBondContact O-N 2.79Å
138	A	87.3	Confident	90.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.9	-42.7	177.5	0	0	0	0	0	111.5	Q134 F135 R141 S142 I174	Q134-A138 PolarHBondContact O-N 2.85Å; F135-A138 PolarHBondContact O-N 3.29Å; A138-R141 PolarHBondContact O-N 3.37Å; A138-S142 WeakPolarHBondContact O-CB 3.26Å; A138-S142 PolarHBondContact O-N 3.21Å; A138-S142 PolarHBondContact O-OG 3.07Å; A138-I174 HydrophobicContact CB-CG2 3.86Å
139	F	89.5	Confident	90.4	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-44.4	178.5	-159.8	-88.4	0	0	0	112.2	L123 F135 A136 T137 S142 L144 A145 I155 L193 M197	L123-F139 HydrophobicContact CD2-CD1 3.88Å; L123-F139 HydrophobicContact CD2-CE1 3.26Å; L123-F139 HydrophobicContact CD2-CZ 3.66Å; L123-F139 HydrophobicContact CG-CE1 4.41Å; F135-F139 HydrophobicContact CE1-CD2 4.08Å; F135-F139 HydrophobicContact CZ-CD2 4.2Å; F135-F139 VanDerWaalsContact O-CB 3.26Å; F135-F139 WeakPolarHBondContact O-CB 3.43Å; F135-F139 PolarHBondContact O-N 3.01Å; A136-F139 PolarHBondContact O-N 2.86Å; T137-F139 VanDerWaalsContact C-N 3.31Å; T137-F139 PolarHBondContact O-N 2.85Å; F139-S142 PolarHBondContact O-N 3.25Å; F139-S142 PolarHBondContact O-OG 2.82Å; F139-L144 HydrophobicContact CD1-CB 4.38Å; F139-L144 HydrophobicContact CD2-CB 4.43Å; F139-L144 HydrophobicContact CD2-CD1 4.48Å; F139-L144 HydrophobicContact CE1-CB 3.9Å; F139-L144 HydrophobicContact CE2-CB 3.97Å; F139-L144 HydrophobicContact CE2-CD1 4.21Å; F139-L144 HydrophobicContact CZ-CB 3.68Å; F139-A145 HydrophobicContact CD1-CB 3.93Å; F139-A145 HydrophobicContact CE1-CB 3.96Å; F139-A145 VanDerWaalsContact CE1-N 3.31Å; F139-I155 HydrophobicContact CE2-CD1 4.21Å; F139-I155 HydrophobicContact CZ-CD1 4.04Å; F139-L193 HydrophobicContact CD2-CD1 4.39Å; F139-M197 HydrophobicContact CE2-CE 3.81Å; F139-M197 HydrophobicContact CE2-CG 4.42Å; F139-M197 HydrophobicContact CE2-SD 3.64Å; F139-M197 HydrophobicContact CZ-CE 3.62Å; F139-M197 HydrophobicContact CZ-SD 4.09Å
140	Q	89	Confident	90.1	Very high	121 Å²	121	54.8 Å²	54.8	57%	0.565	28%	0.275	S	S	*	.	H	α-helix	trans	-64.8	-46.6	176.5	-172	171.6	-3.5	0	0	111.8	V124 A136 T137 S142 G143	V124-Q140 HydrophobicContact CG2-CB 4.44Å; A136-Q140 WeakPolarHBondContact O-CB 3.42Å; A136-Q140 PolarHBondContact O-N 3.08Å; T137-Q140 PolarHBondContact O-N 2.03Å; Q140-S142 VanDerWaalsContact C-N 3.29Å; Q140-S142 PolarHBondContact O-N 3.49Å; Q140-G143 PolarHBondContact O-N 3.34Å
141	R	85.3	Confident	89.9	Confident	105 Å²	105	59 Å²	59	40%	0.396	29%	0.293	S	S	.	.	H	α-helix	trans	-63.2	-33.2	178.5	-74	-177.4	174	167.7	1.7	112.9	T137 A138 G143 V177 V178	T137-R141 WeakPolarHBondContact O-CB 3.38Å; T137-R141 WeakPolarHBondContact O-CG 3.27Å; T137-R141 PolarHBondContact O-N 2.79Å; A138-R141 PolarHBondContact O-N 3.37Å; R141-G143 PolarHBondContact O-N 3.07Å; R141-V177 HydrophobicContact CB-CG1 4.4Å; R141-V177 PolarHBondContact NH1-O 3.09Å; R141-V178 PolarHBondContact NH1-O 3.19Å
142	S	86.6	Confident	89.9	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.007	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17	177.8	75.5	0	0	0	0	114.3	A138 F139 Q140 L144 R190	A138-S142 WeakPolarHBondContact O-CB 3.26Å; A138-S142 PolarHBondContact O-N 3.21Å; A138-S142 PolarHBondContact O-OG 3.07Å; F139-S142 PolarHBondContact O-N 3.25Å; F139-S142 PolarHBondContact O-OG 2.82Å; Q140-S142 VanDerWaalsContact C-N 3.29Å; Q140-S142 PolarHBondContact O-N 3.49Å; S142-L144 PolarHBondContact O-N 2.98Å; S142-L144 WeakPolarHBondContact OG-CB 3.33Å; S142-L144 WeakPolarHBondContact OG-CD1 3.4Å; S142-L144 WeakPolarHBondContact OG-CG 3.19Å; S142-L144 PolarHBondContact OG-N 3.29Å; S142-R190 VanDerWaalsContact O-CZ 3.3Å; S142-R190 PolarHBondContact O-NE 3.03Å; S142-R190 PolarHBondContact O-NH2 3.2Å
143	G	87.9	Confident	89.9	Confident	22 Å²	22	54.8 Å²	54.8	23%	0.227	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	4.7	-172.9	0	0	0	0	0	114.6	Q140 R141 A145 D146 M147	Q140-G143 PolarHBondContact O-N 3.34Å; R141-G143 PolarHBondContact O-N 3.07Å; G143-A145 VanDerWaalsContact C-N 3.26Å; G143-A145 PolarHBondContact O-N 2.89Å; G143-D146 PolarHBondContact O-N 3.32Å; G143-M147 PolarHBondContact O-N 3.48Å
144	L	89.5	Confident	90.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-29.9	176.7	-67.4	174.3	0	0	0	112.4	F139 S142 D146 M147 Y148 R190 L193 M194 M197	F139-L144 HydrophobicContact CD1-CB 4.38Å; F139-L144 HydrophobicContact CD2-CB 4.43Å; F139-L144 HydrophobicContact CD2-CD1 4.48Å; F139-L144 HydrophobicContact CE1-CB 3.9Å; F139-L144 HydrophobicContact CE2-CB 3.97Å; F139-L144 HydrophobicContact CE2-CD1 4.21Å; F139-L144 HydrophobicContact CZ-CB 3.68Å; S142-L144 PolarHBondContact O-N 2.98Å; S142-L144 WeakPolarHBondContact OG-CB 3.33Å; S142-L144 WeakPolarHBondContact OG-CD1 3.4Å; S142-L144 WeakPolarHBondContact OG-CG 3.19Å; S142-L144 PolarHBondContact OG-N 3.29Å; L144-D146 VanDerWaalsContact C-N 3.34Å; L144-D146 PolarHBondContact O-N 3.38Å; L144-M147 HydrophobicContact CD2-SD 4.38Å; L144-M147 PolarHBondContact O-N 3.26Å; L144-Y148 HydrophobicContact CD2-CD2 4.28Å; L144-Y148 HydrophobicContact CD2-CE2 3.83Å; L144-Y148 WeakPolarHBondContact O-CD2 3.28Å; L144-Y148 PolarHBondContact O-N 3.38Å; L144-Y148 VanDerWaalsContact O-N 3.08Å; L144-R190 HydrophobicContact CD1-CG 4.48Å; L144-R190 HydrophobicContact CD2-CG 4.25Å; L144-R190 HydrophobicContact CG-CG 4.28Å; L144-L193 HydrophobicContact CD1-CB 3.58Å; L144-L193 HydrophobicContact CD1-CD1 3.84Å; L144-L193 HydrophobicContact CD1-CG 4.38Å; L144-M194 HydrophobicContact CD1-CG 4.39Å; L144-M194 HydrophobicContact CD2-CE 3.44Å; L144-M194 VanDerWaalsContact CD2-CE 3.44Å; L144-M194 HydrophobicContact CD2-CG 4.26Å; L144-M197 HydrophobicContact CD1-SD 4.06Å
145	A	87.6	Confident	90.4	Very high	22 Å²	22	50.2 Å²	50.2	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-56.1	-46.8	174.7	0	0	0	0	0	112.6	V124 F139 G143 K149	V124-A145 HydrophobicContact CG2-CB 4.36Å; F139-A145 HydrophobicContact CD1-CB 3.93Å; F139-A145 HydrophobicContact CE1-CB 3.96Å; F139-A145 VanDerWaalsContact CE1-N 3.31Å; G143-A145 VanDerWaalsContact C-N 3.26Å; G143-A145 PolarHBondContact O-N 2.89Å; A145-K149 WeakPolarHBondContact O-CA 3.38Å; A145-K149 WeakPolarHBondContact O-CB 3.43Å; A145-K149 PolarHBondContact O-N 2.86Å; A145-K149 VanDerWaalsContact O-N 3.15Å
146	D	87.9	Confident	90.6	Very high	125 Å²	125	50.2 Å²	50.2	67%	0.668	25%	0.251	S	S	*	.	H	α-helix	trans	-74.8	-38.8	-179.9	-64.8	-45	0	0	0	111.6	G143 L144 Y148 K149	G143-D146 PolarHBondContact O-N 3.32Å; L144-D146 VanDerWaalsContact C-N 3.34Å; L144-D146 PolarHBondContact O-N 3.38Å; D146-Y148 VanDerWaalsContact C-N 3.31Å; D146-Y148 PolarHBondContact O-N 2.92Å; D146-K149 PolarHBondContact O-N 3.43Å
147	M	89	Confident	90.7	Very high	96 Å²	96	50.1 Å²	50.1	47%	0.473	25%	0.251	S	S	.	.	H	α-helix	trans	-61.3	-36.4	-179.4	-172.5	179.4	-66.2	0	0	113.1	G143 L144 M194	G143-M147 PolarHBondContact O-N 3.48Å; L144-M147 HydrophobicContact CD2-SD 4.38Å; L144-M147 PolarHBondContact O-N 3.26Å; M147-M194 HydrophobicContact SD-CE 4.42Å
148	Y	89.1	Confident	91	Very high	32 Å²	32	48 Å²	48	13%	0.125	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	10.1	-175.9	-64.7	-84.1	0	0	0	114	L144 D146 N150 K151 M153 M194 M197 L216 N250	L144-Y148 HydrophobicContact CD2-CD2 4.28Å; L144-Y148 HydrophobicContact CD2-CE2 3.83Å; L144-Y148 WeakPolarHBondContact O-CD2 3.28Å; L144-Y148 PolarHBondContact O-N 3.38Å; L144-Y148 VanDerWaalsContact O-N 3.08Å; D146-Y148 VanDerWaalsContact C-N 3.31Å; D146-Y148 PolarHBondContact O-N 2.92Å; Y148-N150 PolarHBondContact O-N 3.01Å; Y148-N150 VanDerWaalsContact O-N 3.1Å; Y148-K151 HydrophobicContact CD1-CB 4.47Å; Y148-K151 HydrophobicContact CD1-CD 3.88Å; Y148-K151 HydrophobicContact CE1-CD 4.32Å; Y148-K151 PolarHBondContact O-N 3.44Å; Y148-M153 HydrophobicContact CD1-CE 3.58Å; Y148-M153 HydrophobicContact CE1-CE 4.13Å; Y148-M153 HydrophobicContact CG-CE 4.23Å; Y148-M194 HydrophobicContact CE2-CE 4.17Å; Y148-M197 HydrophobicContact CD2-CE 3.9Å; Y148-M197 HydrophobicContact CE2-CE 4.33Å; Y148-M197 HydrophobicContact CG-CE 4.18Å; Y148-L216 HydrophobicContact CD1-CD1 3.99Å; Y148-L216 HydrophobicContact CD2-CD1 4.48Å; Y148-L216 HydrophobicContact CE1-CD1 3.42Å; Y148-L216 VanDerWaalsContact CE1-CD1 3.42Å; Y148-L216 HydrophobicContact CE1-CD2 4.1Å; Y148-L216 HydrophobicContact CE1-CG 4.42Å; Y148-L216 HydrophobicContact CE2-CD1 4Å; Y148-L216 HydrophobicContact CG-CD1 4.49Å; Y148-L216 VanDerWaalsContact CZ-CD1 3.44Å; Y148-N250 PolarHBondContact O-ND2 3.22Å; Y148-N250 VanDerWaalsContact O-ND2 3.08Å
149	K	88.3	Confident	91.3	Very high	134 Å²	134	48.4 Å²	48.4	58%	0.583	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-36.3	-177	-173.4	174	179.8	174.5	0	114.8	A145 D146 N250	A145-K149 WeakPolarHBondContact O-CA 3.38Å; A145-K149 WeakPolarHBondContact O-CB 3.43Å; A145-K149 PolarHBondContact O-N 2.86Å; A145-K149 VanDerWaalsContact O-N 3.15Å; D146-K149 PolarHBondContact O-N 3.43Å; K149-N250 PolarHBondContact O-ND2 3.27Å
150	N	89.7	Confident	91.3	Very high	154 Å²	154	49.6 Å²	49.6	82%	0.824	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106	13.8	-176.2	-60.8	-28.5	0	0	0	113.1	Y148	Y148-N150 PolarHBondContact O-N 3.01Å; Y148-N150 VanDerWaalsContact O-N 3.1Å
151	K	93.1	Very high	91.3	Very high	103 Å²	103	48.8 Å²	48.8	45%	0.448	24%	0.243	S	C	.	.	S	Bend	trans	-113.5	142.3	178.3	-67.9	-172.7	174.1	-169.8	0	110	Y148 M153 N250	Y148-K151 HydrophobicContact CD1-CB 4.47Å; Y148-K151 HydrophobicContact CD1-CD 3.88Å; Y148-K151 HydrophobicContact CE1-CD 4.32Å; Y148-K151 PolarHBondContact O-N 3.44Å; K151-M153 PolarHBondContact O-N 3.3Å; K151-N250 PolarHBondContact O-ND2 3.16Å
152	N	95.3	Very high	91.3	Very high	83 Å²	83	44 Å²	44	44%	0.444	23%	0.226	S	C	.	.			trans	-68.7	126.9	171.9	-72.8	-5.9	0	0	0	109.3	G200 M201 N250	N152-G200 WeakPolarHBondContact O-CA 3.49Å; N152-G200 PolarHBondContact O-N 2.94Å; N152-M201 HydrophobicContact CB-CG 4.22Å; N152-N250 CarbonylContact C-O 3.42Å; N152-N250 VanDerWaalsContact CA-O 3.25Å; N152-N250 WeakPolarHBondContact CA-O 3.32Å
153	M	95.4	Very high	91.2	Very high	2 Å²	2	44 Å²	44	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.3	-173.1	-165.8	59.3	50.1	0	0	112.5	Y148 K151 I155 M197 G200 L216 F248 N250 G251 I252	Y148-M153 HydrophobicContact CD1-CE 3.58Å; Y148-M153 HydrophobicContact CE1-CE 4.13Å; Y148-M153 HydrophobicContact CG-CE 4.23Å; K151-M153 PolarHBondContact O-N 3.3Å; M153-I155 HydrophobicContact CG-CD1 4.2Å; M153-I155 HydrophobicContact CG-CG1 3.78Å; M153-M197 HydrophobicContact CG-CE 3.99Å; M153-M197 HydrophobicContact SD-CB 3.98Å; M153-M197 HydrophobicContact SD-CE 4.14Å; M153-G200 CarbonylContact C-O 3.25Å; M153-G200 WeakPolarHBondContact CA-O 3.41Å; M153-L216 HydrophobicContact CE-CD1 3.64Å; M153-L216 HydrophobicContact CE-CD2 4.38Å; M153-L216 HydrophobicContact CE-CG 4.32Å; M153-L216 HydrophobicContact SD-CD1 3.71Å; M153-L216 HydrophobicContact SD-CG 4.22Å; M153-F248 HydrophobicContact CB-CZ 4.45Å; M153-N250 PolarHBondContact N-O 3.36Å; M153-G251 CarbonylContact O-C 3.54Å; M153-G251 WeakPolarHBondContact O-CA 3.42Å; M153-I252 PolarHBondContact O-N 2.83Å
154	T	97.1	Very high	90.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.7	168.1	-59	0	0	0	0	108.8	F156 M197 V198 G200 V202 I252 H254	T154-F156 HydrophobicContact CG2-CE2 4.09Å; T154-F156 HydrophobicContact CG2-CZ 4.46Å; T154-M197 CarbonylContact O-C 3.52Å; T154-M197 WeakPolarHBondContact O-CA 3.43Å; T154-V198 PolarHBondContact N-O 3.26Å; T154-V198 PolarHBondContact O-N 3.36Å; T154-G200 PolarHBondContact N-O 3.17Å; T154-G200 PolarHBondContact OG1-O 3.46Å; T154-V202 HydrophobicContact CG2-CB 4.23Å; T154-V202 PolarHBondContact OG1-N 2.94Å; T154-I252 CarbonylContact C-O 3.52Å; T154-I252 VanDerWaalsContact CA-O 3.28Å; T154-I252 WeakPolarHBondContact CA-O 3.44Å; T154-H254 VanDerWaalsContact CG2-CD2 3.46Å; T154-H254 WeakPolarHBondContact CG2-CD2 3.34Å
155	I	96.6	Very high	89.8	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.6	-174.3	-58.5	178.5	0	0	0	109.3	L123 F135 F139 M153 A157 G196 M197 F248 I252 I253 H254	L123-I155 HydrophobicContact CD1-CD1 3.64Å; L123-I155 HydrophobicContact CD2-CD1 3.36Å; L123-I155 HydrophobicContact CG-CD1 4.15Å; F135-I155 HydrophobicContact CE1-CG2 3.78Å; F135-I155 HydrophobicContact CZ-CG2 3.92Å; F139-I155 HydrophobicContact CE2-CD1 4.21Å; F139-I155 HydrophobicContact CZ-CD1 4.04Å; M153-I155 HydrophobicContact CG-CD1 4.2Å; M153-I155 HydrophobicContact CG-CG1 3.78Å; I155-A157 HydrophobicContact CG2-CB 4.33Å; I155-A157 PolarHBondContact O-N 2.93Å; I155-G196 WeakPolarHBondContact CA-O 3.18Å; I155-M197 HydrophobicContact CG1-CG 4.36Å; I155-F248 HydrophobicContact CD1-CZ 4.17Å; I155-I252 PolarHBondContact N-O 3.31Å; I155-I253 HydrophobicContact CB-CG1 4.46Å; I155-I253 CarbonylContact O-C 3.45Å; I155-I253 VanDerWaalsContact O-CA 3.28Å; I155-I253 WeakPolarHBondContact O-CA 3.31Å; I155-H254 PolarHBondContact O-N 3.24Å
156	F	96.5	Very high	88.7	Confident	3 Å²	3	55.1 Å²	55.1	1%	0.013	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	98	169.6	-65.3	-90.4	0	0	0	108.8	T154 G196 V198 M207 L213 L222 V236 I241 H254 V256 L260	T154-F156 HydrophobicContact CG2-CE2 4.09Å; T154-F156 HydrophobicContact CG2-CZ 4.46Å; F156-G196 WeakPolarHBondContact CD2-O 3.34Å; F156-G196 PolarHBondContact N-O 3.46Å; F156-V198 HydrophobicContact CD2-CG2 4.47Å; F156-V198 HydrophobicContact CE2-CG2 3.95Å; F156-M207 HydrophobicContact CE1-CE 3.88Å; F156-M207 HydrophobicContact CE1-SD 4.5Å; F156-M207 HydrophobicContact CZ-CE 3.52Å; F156-M207 HydrophobicContact CZ-SD 4.31Å; F156-L213 HydrophobicContact CE2-CD1 4.14Å; F156-L213 HydrophobicContact CZ-CD1 3.9Å; F156-L222 HydrophobicContact CD2-CD1 3.42Å; F156-L222 VanDerWaalsContact CD2-CD1 3.42Å; F156-L222 HydrophobicContact CE2-CD1 3.56Å; F156-L222 HydrophobicContact CG-CD1 4.16Å; F156-L222 HydrophobicContact CZ-CD1 4.38Å; F156-V236 HydrophobicContact CD1-CB 4.48Å; F156-V236 HydrophobicContact CD1-CG2 4.29Å; F156-V236 HydrophobicContact CE1-CB 4.27Å; F156-V236 HydrophobicContact CE1-CG1 4.39Å; F156-V236 HydrophobicContact CE1-CG2 3.63Å; F156-V236 HydrophobicContact CZ-CG2 4.13Å; F156-I241 HydrophobicContact CE1-CD1 3.92Å; F156-I241 HydrophobicContact CE1-CG1 4.47Å; F156-H254 CarbonylContact C-O 3.07Å; F156-H254 VanDerWaalsContact CA-O 3.28Å; F156-H254 WeakPolarHBondContact CA-O 3.21Å; F156-H254 HydrophobicContact CD1-CB 3.63Å; F156-H254 HydrophobicContact CE1-CB 3.79Å; F156-H254 AromaticContact CE1-CD2 3.73Å; F156-H254 AromaticContact CE1-CG 3.94Å; F156-H254 HydrophobicContact CG-CB 4.4Å; F156-H254 AromaticContact CZ-CD2 3.89Å; F156-V256 HydrophobicContact CB-CG1 4.28Å; F156-V256 HydrophobicContact CD1-CG1 4Å; F156-L260 HydrophobicContact CB-CD1 3.32Å; F156-L260 HydrophobicContact CB-CG 4.5Å; F156-L260 HydrophobicContact CG-CD1 3.94Å
157	A	95.6	Very high	87.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120	-173	0	0	0	0	0	110.7	L127 L132 F135 I155 I253 H254 V255 V256	L127-A157 HydrophobicContact CD2-CB 3.88Å; L132-A157 HydrophobicContact CD1-CB 3.68Å; F135-A157 HydrophobicContact CD1-CB 3.8Å; F135-A157 HydrophobicContact CE1-CB 3.8Å; F135-A157 HydrophobicContact CG-CB 4.33Å; F135-A157 HydrophobicContact CZ-CB 4.31Å; I155-A157 HydrophobicContact CG2-CB 4.33Å; I155-A157 PolarHBondContact O-N 2.93Å; A157-I253 HydrophobicContact CB-CG2 3.93Å; A157-H254 PolarHBondContact N-O 3.41Å; A157-V255 CarbonylContact O-C 3.54Å; A157-V255 WeakPolarHBondContact O-CA 3.46Å; A157-V256 PolarHBondContact O-N 3.42Å
158	P	94.5	Very high	85.9	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.019	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	150.3	175.1	30.9	-37.4	0	0	0	111.5	F135 A162 L163 V256 M259	F135-P158 VanDerWaalsContact CD2-CD 3.46Å; F135-P158 HydrophobicContact CD2-CG 3.79Å; F135-P158 HydrophobicContact CE2-CG 4.28Å; F135-P158 HydrophobicContact CG-CG 4.49Å; P158-A162 HydrophobicContact CB-CB 3.92Å; P158-L163 HydrophobicContact CB-CD2 4.41Å; P158-L163 HydrophobicContact CB-CG 4.31Å; P158-L163 HydrophobicContact CG-CD1 4.27Å; P158-L163 HydrophobicContact CG-CD2 3.78Å; P158-L163 HydrophobicContact CG-CG 3.94Å; P158-V256 WeakPolarHBondContact CA-O 3.47Å; P158-V256 HydrophobicContact CB-CG2 4.31Å; P158-M259 HydrophobicContact CB-SD 4.36Å; P158-M259 HydrophobicContact CG-SD 3.79Å
159	T	93.4	Very high	84.5	Confident	8 Å²	8	52.5 Å²	52.5	5%	0.049	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-62.9	160.5	168.4	61.1	0	0	0	0	111.7	E161 A162 L163 V255 V256	T159-E161 WeakPolarHBondContact CB-OE2 3.44Å; T159-E161 PolarHBondContact O-N 2.76Å; T159-A162 WeakPolarHBondContact O-CB 3.42Å; T159-A162 PolarHBondContact O-N 2.84Å; T159-A162 VanDerWaalsContact OG1-CB 3.25Å; T159-A162 WeakPolarHBondContact OG1-CB 3.42Å; T159-A162 PolarHBondContact OG1-N 3.42Å; T159-A162 VanDerWaalsContact OG1-N 3.09Å; T159-L163 PolarHBondContact O-N 3.25Å; T159-V255 HydrophobicContact CG2-CG1 3.77Å; T159-V256 PolarHBondContact N-O 3.32Å; T159-V256 VanDerWaalsContact N-O 3.12Å
160	N	91.1	Very high	83.2	Confident	26 Å²	26	46.6 Å²	46.6	14%	0.139	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-36.4	173.8	-76.9	-13.3	0	0	0	110.9	K131 S133 Q134 L163 T164	K131-N160 PolarHBondContact O-ND2 2.68Å; S133-N160 PolarHBondContact N-OD1 2.74Å; S133-N160 PolarHBondContact OG-ND2 3.33Å; Q134-N160 WeakPolarHBondContact CB-OD1 3.48Å; Q134-N160 PolarHBondContact N-OD1 3.14Å; N160-L163 PolarHBondContact O-N 3.39Å; N160-T164 PolarHBondContact O-N 3.23Å; N160-T164 PolarHBondContact O-OG1 2.81Å
161	E	88.5	Confident	81.8	Confident	104 Å²	104	39.2 Å²	39.2	49%	0.486	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-44.3	176	-62.7	73.4	-155.4	0	0	111.2	T159 L163 T164 E165	T159-E161 WeakPolarHBondContact CB-OE2 3.44Å; T159-E161 PolarHBondContact O-N 2.76Å; E161-L163 VanDerWaalsContact C-N 3.27Å; E161-L163 PolarHBondContact O-N 3.47Å; E161-T164 WeakPolarHBondContact CA-OG1 3.5Å; E161-T164 PolarHBondContact O-N 2.87Å; E161-T164 VanDerWaalsContact O-N 3.1Å; E161-T164 PolarHBondContact O-OG1 2.84Å; E161-E165 WeakPolarHBondContact O-CB 3.42Å; E161-E165 WeakPolarHBondContact O-CG 3.38Å; E161-E165 PolarHBondContact O-N 2.82Å
162	A	85.6	Confident	80.3	Confident	5 Å²	5	38.4 Å²	38.4	4%	0.041	22%	0.224	C	C	.	.	H	α-helix	trans	-58.1	-35.9	175.7	0	0	0	0	0	113.7	P158 T159 S166 D257	P158-A162 HydrophobicContact CB-CB 3.92Å; T159-A162 WeakPolarHBondContact O-CB 3.42Å; T159-A162 PolarHBondContact O-N 2.84Å; T159-A162 VanDerWaalsContact OG1-CB 3.25Å; T159-A162 WeakPolarHBondContact OG1-CB 3.42Å; T159-A162 PolarHBondContact OG1-N 3.42Å; T159-A162 VanDerWaalsContact OG1-N 3.09Å; A162-S166 WeakPolarHBondContact O-CB 3.45Å; A162-S166 PolarHBondContact O-N 2.79Å; A162-D257 VanDerWaalsContact CB-O 3.3Å; A162-D257 WeakPolarHBondContact CB-O 3.37Å
163	L	83	Confident	78.7	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-74	-31.9	177.6	-70.5	171.6	0	0	0	112.1	Q134 F135 P158 T159 N160 E161 I174 M259	Q134-L163 HydrophobicContact CB-CD1 3.68Å; F135-L163 HydrophobicContact CB-CD1 4.17Å; P158-L163 HydrophobicContact CB-CD2 4.41Å; P158-L163 HydrophobicContact CB-CG 4.31Å; P158-L163 HydrophobicContact CG-CD1 4.27Å; P158-L163 HydrophobicContact CG-CD2 3.78Å; P158-L163 HydrophobicContact CG-CG 3.94Å; T159-L163 PolarHBondContact O-N 3.25Å; N160-L163 PolarHBondContact O-N 3.39Å; E161-L163 VanDerWaalsContact C-N 3.27Å; E161-L163 PolarHBondContact O-N 3.47Å; L163-I174 HydrophobicContact CD1-CG2 4.31Å; L163-I174 HydrophobicContact CD2-CB 4.36Å; L163-I174 HydrophobicContact CD2-CD1 3.92Å; L163-I174 HydrophobicContact CD2-CG2 3.98Å; L163-M259 HydrophobicContact CD2-SD 4.11Å
164	T	77.8	Confident	77.2	Confident	91 Å²	91	37.6 Å²	37.6	56%	0.558	22%	0.218	S	C	*	.	H	α-helix	trans	-83.6	-33.4	179.1	52.5	0	0	0	0	114	N160 E161	N160-T164 PolarHBondContact O-N 3.23Å; N160-T164 PolarHBondContact O-OG1 2.81Å; E161-T164 WeakPolarHBondContact CA-OG1 3.5Å; E161-T164 PolarHBondContact O-N 2.87Å; E161-T164 VanDerWaalsContact O-N 3.1Å; E161-T164 PolarHBondContact O-OG1 2.84Å
165	E	70.5	Confident	75.4	Confident	159 Å²	159	39.2 Å²	39.2	74%	0.743	23%	0.229	S	C	*	.	H	α-helix	trans	-86.9	-20.8	-177	-69.4	-179.1	178.4	0	0	112.9	E161 S167	E161-E165 WeakPolarHBondContact O-CB 3.42Å; E161-E165 WeakPolarHBondContact O-CG 3.38Å; E161-E165 PolarHBondContact O-N 2.82Å; E165-S167 PolarHBondContact O-N 3.46Å
166	S	64.7	Low	73.7	Confident	27 Å²	27	45.1 Å²	45.1	19%	0.189	26%	0.257	C	S	.	.			trans	-71.6	119.2	-175.9	179.3	0	0	0	0	111.3	A162 S168	A162-S166 WeakPolarHBondContact O-CB 3.45Å; A162-S166 PolarHBondContact O-N 2.79Å; S166-S168 PolarHBondContact O-N 2.89Å; S166-S168 VanDerWaalsContact OG-CB 3.28Å; S166-S168 WeakPolarHBondContact OG-CB 3.37Å; S166-S168 PolarHBondContact OG-N 3.3Å; S166-S168 PolarHBondContact OG-OG 3.27Å
167	S	57.7	Low	72	Confident	117 Å²	117	45.5 Å²	45.5	82%	0.818	26%	0.259	S	S	*	.			trans	-74.6	8.3	169.2	67.3	0	0	0	0	113.4	E165	E165-S167 PolarHBondContact O-N 3.46Å
168	S	61.4	Low	70.1	Confident	16 Å²	16	47.7 Å²	47.7	11%	0.112	27%	0.273	C	S	.	.	S	Bend	trans	-76.1	147.4	-176.7	71.8	0	0	0	0	111.4	S166 A170 A171 N172 Q261	S166-S168 PolarHBondContact O-N 2.89Å; S166-S168 VanDerWaalsContact OG-CB 3.28Å; S166-S168 WeakPolarHBondContact OG-CB 3.37Å; S166-S168 PolarHBondContact OG-N 3.3Å; S166-S168 PolarHBondContact OG-OG 3.27Å; S168-A170 PolarHBondContact O-N 3.09Å; S168-A171 PolarHBondContact O-N 2.76Å; S168-A171 VanDerWaalsContact O-N 3.15Å; S168-A171 PolarHBondContact OG-N 2.87Å; S168-N172 PolarHBondContact O-N 2.8Å; S168-N172 VanDerWaalsContact O-N 3.12Å; S168-Q261 PolarHBondContact OG-NE2 3.2Å; S168-Q261 VanDerWaalsContact OG-NE2 3.17Å
169	A	59.7	Low	68.3	Low	66 Å²	66	52.3 Å²	52.3	55%	0.545	30%	0.301	S	S	.	.	H	α-helix	trans	-52.6	-39.5	172.8	0	0	0	0	0	111.2	A171 N172 E173	A169-A171 PolarHBondContact O-N 2.8Å; A169-N172 PolarHBondContact O-N 2.87Å; A169-E173 WeakPolarHBondContact O-CB 3.5Å; A169-E173 WeakPolarHBondContact O-CG 3.28Å; A169-E173 PolarHBondContact O-N 2.53Å
170	A	60.8	Low	66.2	Low	9 Å²	9	58.2 Å²	58.2	7%	0.074	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-44.4	178.6	0	0	0	0	0	113.8	S168 I174 I192 M259	S168-A170 PolarHBondContact O-N 3.09Å; A170-I174 WeakPolarHBondContact O-CG1 3.29Å; A170-I174 PolarHBondContact O-N 2.61Å; A170-I192 HydrophobicContact CB-CD1 4.09Å; A170-I192 HydrophobicContact CB-CG1 4.04Å; A170-I192 HydrophobicContact CB-CG2 3.76Å; A170-M259 HydrophobicContact CB-CE 4.18Å; A170-M259 HydrophobicContact CB-CG 4.14Å
171	A	59.7	Low	64.1	Low	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-72.1	-36.6	178.9	0	0	0	0	0	112.5	S168 A169 I174 S175	S168-A171 PolarHBondContact O-N 2.76Å; S168-A171 VanDerWaalsContact O-N 3.15Å; S168-A171 PolarHBondContact OG-N 2.87Å; A169-A171 PolarHBondContact O-N 2.8Å; A171-I174 PolarHBondContact O-N 2.86Å; A171-S175 VanDerWaalsContact O-CB 3.27Å; A171-S175 WeakPolarHBondContact O-CB 3.48Å; A171-S175 PolarHBondContact O-N 2.88Å; A171-S175 PolarHBondContact O-OG 3.18Å
172	N	61.2	Low	61.9	Low	86 Å²	86	64.4 Å²	64.4	46%	0.46	36%	0.36	S	S	.	.	H	α-helix	trans	-63.4	-43.4	173.6	-73.6	-23.8	0	0	0	111.7	S168 A169 S175 Q176	S168-N172 PolarHBondContact O-N 2.8Å; S168-N172 VanDerWaalsContact O-N 3.12Å; A169-N172 PolarHBondContact O-N 2.87Å; N172-S175 PolarHBondContact O-N 2.82Å; N172-Q176 WeakPolarHBondContact O-CB 3.44Å; N172-Q176 VanDerWaalsContact O-CG 3.28Å; N172-Q176 WeakPolarHBondContact O-CG 3.33Å; N172-Q176 PolarHBondContact O-N 2.93Å
173	E	62.2	Low	60.4	Low	67 Å²	67	67.2 Å²	67.2	31%	0.313	39%	0.389	S	S	.	.	H	α-helix	trans	-64.6	-45.8	176.5	-74.9	178.9	-154	0	0	111.6	A169 S175 Q176 V177 P188 I192	A169-E173 WeakPolarHBondContact O-CB 3.5Å; A169-E173 WeakPolarHBondContact O-CG 3.28Å; A169-E173 PolarHBondContact O-N 2.53Å; E173-S175 VanDerWaalsContact C-N 3.34Å; E173-S175 PolarHBondContact O-N 3.13Å; E173-Q176 PolarHBondContact O-N 3.08Å; E173-V177 WeakPolarHBondContact O-CG2 3.38Å; E173-V177 PolarHBondContact O-N 2.67Å; E173-V177 VanDerWaalsContact O-N 3.12Å; E173-P188 WeakPolarHBondContact OE2-CB 3.47Å; E173-I192 HydrophobicContact CB-CD1 3.87Å; E173-I192 HydrophobicContact CG-CD1 4.41Å; E173-I192 WeakPolarHBondContact OE2-CD1 3.4Å
174	I	63.3	Low	58.9	Low	0 Å²	0	75.2 Å²	75.2	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-59.9	-45.1	174.2	-71	172.4	0	0	0	110.9	A138 L163 A170 A171 Q176 V177 V178 I192 L193 M259	A138-I174 HydrophobicContact CB-CG2 3.86Å; L163-I174 HydrophobicContact CD1-CG2 4.31Å; L163-I174 HydrophobicContact CD2-CB 4.36Å; L163-I174 HydrophobicContact CD2-CD1 3.92Å; L163-I174 HydrophobicContact CD2-CG2 3.98Å; A170-I174 WeakPolarHBondContact O-CG1 3.29Å; A170-I174 PolarHBondContact O-N 2.61Å; A171-I174 PolarHBondContact O-N 2.86Å; I174-Q176 VanDerWaalsContact C-N 3.35Å; I174-Q176 PolarHBondContact O-N 3.22Å; I174-V177 WeakPolarHBondContact O-CB 3.39Å; I174-V177 PolarHBondContact O-N 3.47Å; I174-V178 WeakPolarHBondContact O-CG2 3.3Å; I174-V178 PolarHBondContact O-N 3.27Å; I174-V178 VanDerWaalsContact O-N 3.08Å; I174-I192 HydrophobicContact CD1-CG2 3.7Å; I174-I192 HydrophobicContact CG1-CG2 4.14Å; I174-L193 HydrophobicContact CD1-CD2 4.16Å; I174-M259 HydrophobicContact CD1-CE 3.42Å; I174-M259 VanDerWaalsContact CD1-CE 3.42Å; I174-M259 HydrophobicContact CD1-SD 4.06Å
175	S	60.5	Low	57.7	Low	34 Å²	34	74.1 Å²	74.1	24%	0.238	43%	0.425	C	S	.	.	H	α-helix	trans	-62.7	-41.2	179.2	-63.7	0	0	0	0	111.7	A171 N172 E173 V177 V178 V179	A171-S175 VanDerWaalsContact O-CB 3.27Å; A171-S175 WeakPolarHBondContact O-CB 3.48Å; A171-S175 PolarHBondContact O-N 2.88Å; A171-S175 PolarHBondContact O-OG 3.18Å; N172-S175 PolarHBondContact O-N 2.82Å; E173-S175 VanDerWaalsContact C-N 3.34Å; E173-S175 PolarHBondContact O-N 3.13Å; S175-V177 VanDerWaalsContact C-N 3.29Å; S175-V177 PolarHBondContact O-N 3.39Å; S175-V178 WeakPolarHBondContact O-CB 3.32Å; S175-V178 PolarHBondContact O-N 3.39Å; S175-V179 VanDerWaalsContact O-CG2 3.3Å; S175-V179 WeakPolarHBondContact O-CG2 3.45Å; S175-V179 PolarHBondContact O-N 3.29Å
176	Q	59.6	Low	57	Low	125 Å²	125	69 Å²	69	58%	0.584	40%	0.402	S	S	*	.	H	α-helix	trans	-61.7	-36.3	175.9	-77.9	179.3	-0.7	0	0	112.5	N172 E173 I174 V179 F180	N172-Q176 WeakPolarHBondContact O-CB 3.44Å; N172-Q176 VanDerWaalsContact O-CG 3.28Å; N172-Q176 WeakPolarHBondContact O-CG 3.33Å; N172-Q176 PolarHBondContact O-N 2.93Å; E173-Q176 PolarHBondContact O-N 3.08Å; I174-Q176 VanDerWaalsContact C-N 3.35Å; I174-Q176 PolarHBondContact O-N 3.22Å; Q176-V179 CarbonylContact O-C 3.49Å; Q176-V179 PolarHBondContact O-N 3.23Å; Q176-V179 VanDerWaalsContact O-N 3.13Å; Q176-F180 PolarHBondContact O-N 3.41Å
177	V	60.6	Low	56.9	Low	12 Å²	12	74 Å²	74	7%	0.073	42%	0.422	C	S	.	.	H	α-helix	trans	-69.9	-35.8	177	176.3	0	0	0	0	112.1	R141 E173 I174 S175 V179 I189	R141-V177 HydrophobicContact CB-CG1 4.4Å; R141-V177 PolarHBondContact NH1-O 3.09Å; E173-V177 WeakPolarHBondContact O-CG2 3.38Å; E173-V177 PolarHBondContact O-N 2.67Å; E173-V177 VanDerWaalsContact O-N 3.12Å; I174-V177 WeakPolarHBondContact O-CB 3.39Å; I174-V177 PolarHBondContact O-N 3.47Å; S175-V177 VanDerWaalsContact C-N 3.29Å; S175-V177 PolarHBondContact O-N 3.39Å; V177-V179 PolarHBondContact O-N 3.48Å; V177-I189 HydrophobicContact CB-CD1 4.25Å; V177-I189 HydrophobicContact CG1-CD1 4.42Å; V177-I189 HydrophobicContact CG2-CD1 2.94Å; V177-I189 HydrophobicContact CG2-CG1 3.56Å
178	V	56.1	Low	57.5	Low	46 Å²	46	71 Å²	71	28%	0.279	40%	0.4	S	S	.	.	H	α-helix	trans	-61.3	-34	172.5	176.8	0	0	0	0	109.5	R141 I174 S175	R141-V178 PolarHBondContact NH1-O 3.19Å; I174-V178 WeakPolarHBondContact O-CG2 3.3Å; I174-V178 PolarHBondContact O-N 3.27Å; I174-V178 VanDerWaalsContact O-N 3.08Å; S175-V178 WeakPolarHBondContact O-CB 3.32Å; S175-V178 PolarHBondContact O-N 3.39Å
179	V	56.9	Low	58.3	Low	100 Å²	100	70.4 Å²	70.4	61%	0.606	40%	0.395	S	S	*	.	H	α-helix	trans	-87.4	-33.4	-176.8	-177.4	0	0	0	0	114.3	S175 Q176 V177	S175-V179 VanDerWaalsContact O-CG2 3.3Å; S175-V179 WeakPolarHBondContact O-CG2 3.45Å; S175-V179 PolarHBondContact O-N 3.29Å; Q176-V179 CarbonylContact O-C 3.49Å; Q176-V179 PolarHBondContact O-N 3.23Å; Q176-V179 VanDerWaalsContact O-N 3.13Å; V177-V179 PolarHBondContact O-N 3.48Å
180	F	48.5	Very low	59.4	Low	131 Å²	131	71 Å²	71	58%	0.575	38%	0.383	S	S	*	.			trans	-131.6	139.5	-174	-61.8	-77	0	0	0	114.2	Q176 T182	Q176-F180 PolarHBondContact O-N 3.41Å; F180-T182 HydrophobicContact CB-CG2 4.43Å; F180-T182 PolarHBondContact O-N 3.12Å
181	E	48.1	Very low	60.4	Low	174 Å²	174	74.3 Å²	74.3	81%	0.813	40%	0.4	S	S	*	.			trans	-88.9	84.8	168.8	-67.3	-176.9	171.8	0	0	110.1
182	T	42.8	Very low	61.5	Low	86 Å²	86	75.4 Å²	75.4	53%	0.528	41%	0.406	S	S	.	.			trans	-139	107	-177.1	51	0	0	0	0	115.9	F180 T185	F180-T182 HydrophobicContact CB-CG2 4.43Å; F180-T182 PolarHBondContact O-N 3.12Å; T182-T185 PolarHBondContact O-OG1 2.92Å
183	G	52.7	Low	62.8	Low	64 Å²	64	71.4 Å²	71.4	66%	0.66	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	56.5	-151.2	140.9	0	0	0	0	0	119.4	T185 M186	G183-T185 PolarHBondContact O-N 2.89Å; G183-M186 PolarHBondContact O-N 2.8Å
184	D	51.8	Low	64.2	Low	170 Å²	170	69.4 Å²	69.4	91%	0.909	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-56.5	0.1	-174.9	-77.2	-29.4	0	0	0	115.7	M186	D184-M186 PolarHBondContact O-N 3.09Å
185	T	53.1	Low	65.4	Low	67 Å²	67	69.5 Å²	69.5	41%	0.411	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-67.8	-12.6	173.9	63.8	0	0	0	0	113.5	T182 G183 H187 P188 I189	T182-T185 PolarHBondContact O-OG1 2.92Å; G183-T185 PolarHBondContact O-N 2.89Å; T185-H187 PolarHBondContact O-N 3.27Å; T185-P188 WeakPolarHBondContact O-CD 3.25Å; T185-I189 WeakPolarHBondContact O-CD1 3.3Å
186	M	56.6	Low	67	Low	51 Å²	51	68.1 Å²	68.1	25%	0.251	37%	0.367	S	S	.	.	H	α-helix	trans	-69.9	-24.7	-171.3	-74.6	-90.7	47.9	0	0	116.2	G183 D184 I189 R190	G183-M186 PolarHBondContact O-N 2.8Å; D184-M186 PolarHBondContact O-N 3.09Å; M186-I189 HydrophobicContact CE-CB 3.84Å; M186-I189 HydrophobicContact CE-CD1 3.58Å; M186-I189 HydrophobicContact CE-CG1 4.39Å; M186-I189 HydrophobicContact CE-CG2 3.97Å; M186-R190 WeakPolarHBondContact O-CG 3.26Å; M186-R190 PolarHBondContact O-N 2.81Å
187	H	62.6	Low	68.6	Low	133 Å²	133	62.2 Å²	62.2	62%	0.616	34%	0.339	S	S	*	.	H	α-helix	trans	-63.7	-54.8	175.1	-100.4	87.1	0	0	0	112.2	T185 I189 R190 D191	T185-H187 PolarHBondContact O-N 3.27Å; H187-I189 VanDerWaalsContact C-N 3.25Å; H187-I189 PolarHBondContact O-N 3.34Å; H187-R190 PolarHBondContact O-N 3.43Å; H187-R190 VanDerWaalsContact O-N 3.15Å; H187-D191 PolarHBondContact O-N 3.3Å
188	P	69.3	Low	70.3	Confident	54 Å²	54	61.8 Å²	61.8	35%	0.351	34%	0.336	S	S	.	.	H	α-helix	trans	-49.4	-42.8	176.6	-29.2	29	0	0	0	114.4	E173 T185 D191 I192	E173-P188 WeakPolarHBondContact OE2-CB 3.47Å; T185-P188 WeakPolarHBondContact O-CD 3.25Å; P188-D191 PolarHBondContact O-N 3.05Å; P188-I192 WeakPolarHBondContact O-CD1 3.46Å; P188-I192 VanDerWaalsContact O-CG1 3.26Å; P188-I192 WeakPolarHBondContact O-CG1 3.45Å; P188-I192 PolarHBondContact O-N 3.22Å
189	I	77.8	Confident	72.1	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.015	35%	0.351	C	S	.	.	H	α-helix	trans	-71.2	-38.2	-176.5	-61.9	140.7	0	0	0	111.8	V177 T185 M186 H187 D191 I192 L193	V177-I189 HydrophobicContact CB-CD1 4.25Å; V177-I189 HydrophobicContact CG1-CD1 4.42Å; V177-I189 HydrophobicContact CG2-CD1 2.94Å; V177-I189 HydrophobicContact CG2-CG1 3.56Å; T185-I189 WeakPolarHBondContact O-CD1 3.3Å; M186-I189 HydrophobicContact CE-CB 3.84Å; M186-I189 HydrophobicContact CE-CD1 3.58Å; M186-I189 HydrophobicContact CE-CG1 4.39Å; M186-I189 HydrophobicContact CE-CG2 3.97Å; H187-I189 VanDerWaalsContact C-N 3.25Å; H187-I189 PolarHBondContact O-N 3.34Å; I189-D191 VanDerWaalsContact C-N 3.3Å; I189-D191 PolarHBondContact O-N 3.12Å; I189-I192 PolarHBondContact O-N 3.5Å; I189-L193 HydrophobicContact CG2-CD1 3.89Å; I189-L193 HydrophobicContact CG2-CG 4.24Å; I189-L193 WeakPolarHBondContact O-CB 3.41Å; I189-L193 VanDerWaalsContact O-CG 3.26Å; I189-L193 WeakPolarHBondContact O-CG 3.28Å; I189-L193 PolarHBondContact O-N 3.03Å
190	R	84.6	Confident	73.9	Confident	79 Å²	79	61.9 Å²	61.9	30%	0.298	33%	0.333	S	S	.	.	H	α-helix	trans	-60.4	-45.6	174.5	-77.3	179.1	175	172.2	1.8	110.3	S142 L144 M186 H187 I192 L193 M194	S142-R190 VanDerWaalsContact O-CZ 3.3Å; S142-R190 PolarHBondContact O-NE 3.03Å; S142-R190 PolarHBondContact O-NH2 3.2Å; L144-R190 HydrophobicContact CD1-CG 4.48Å; L144-R190 HydrophobicContact CD2-CG 4.25Å; L144-R190 HydrophobicContact CG-CG 4.28Å; M186-R190 WeakPolarHBondContact O-CG 3.26Å; M186-R190 PolarHBondContact O-N 2.81Å; H187-R190 PolarHBondContact O-N 3.43Å; H187-R190 VanDerWaalsContact O-N 3.15Å; R190-I192 VanDerWaalsContact C-N 3.32Å; R190-I192 PolarHBondContact O-N 3.48Å; R190-L193 PolarHBondContact O-N 2.81Å; R190-M194 VanDerWaalsContact O-CB 3.23Å; R190-M194 WeakPolarHBondContact O-CB 3.49Å; R190-M194 WeakPolarHBondContact O-CG 3.23Å; R190-M194 PolarHBondContact O-N 2.87Å
191	D	81.3	Confident	76.1	Confident	78 Å²	78	58.6 Å²	58.6	42%	0.417	32%	0.32	S	S	.	.	H	α-helix	trans	-61.9	-42.2	178.7	-67.9	-20.4	0	0	0	111.6	H187 P188 I189 M194 N195 R217	H187-D191 PolarHBondContact O-N 3.3Å; P188-D191 PolarHBondContact O-N 3.05Å; I189-D191 VanDerWaalsContact C-N 3.3Å; I189-D191 PolarHBondContact O-N 3.12Å; D191-M194 PolarHBondContact O-N 3.17Å; D191-N195 PolarHBondContact O-N 3.37Å; D191-N195 VanDerWaalsContact O-N 3.12Å; D191-R217 VanDerWaalsContact O-CD 3.3Å; D191-R217 WeakPolarHBondContact O-CD 3.27Å
192	I	81.5	Confident	78.3	Confident	24 Å²	24	51.3 Å²	51.3	12%	0.123	29%	0.288	C	S	.	.	H	α-helix	trans	-60.6	-48.3	175.4	-72.2	162.7	0	0	0	111.5	A170 E173 I174 P188 I189 R190 N195 M259	A170-I192 HydrophobicContact CB-CD1 4.09Å; A170-I192 HydrophobicContact CB-CG1 4.04Å; A170-I192 HydrophobicContact CB-CG2 3.76Å; E173-I192 HydrophobicContact CB-CD1 3.87Å; E173-I192 HydrophobicContact CG-CD1 4.41Å; E173-I192 WeakPolarHBondContact OE2-CD1 3.4Å; I174-I192 HydrophobicContact CD1-CG2 3.7Å; I174-I192 HydrophobicContact CG1-CG2 4.14Å; P188-I192 WeakPolarHBondContact O-CD1 3.46Å; P188-I192 VanDerWaalsContact O-CG1 3.26Å; P188-I192 WeakPolarHBondContact O-CG1 3.45Å; P188-I192 PolarHBondContact O-N 3.22Å; I189-I192 PolarHBondContact O-N 3.5Å; R190-I192 VanDerWaalsContact C-N 3.32Å; R190-I192 PolarHBondContact O-N 3.48Å; I192-N195 VanDerWaalsContact O-CB 3.23Å; I192-N195 WeakPolarHBondContact O-CB 3.17Å; I192-N195 PolarHBondContact O-N 2.84Å; I192-M259 HydrophobicContact CG2-CE 3.1Å
193	L	89	Confident	80.8	Confident	1 Å²	1	49 Å²	49	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-68	-41.3	-179.5	-68.3	173.8	0	0	0	111.4	F135 F139 L144 I174 I189 R190 N195 G196 M197	F135-L193 HydrophobicContact CD2-CD2 3.91Å; F135-L193 HydrophobicContact CE2-CD2 3.36Å; F135-L193 HydrophobicContact CZ-CD2 3.94Å; F139-L193 HydrophobicContact CD2-CD1 4.39Å; L144-L193 HydrophobicContact CD1-CB 3.58Å; L144-L193 HydrophobicContact CD1-CD1 3.84Å; L144-L193 HydrophobicContact CD1-CG 4.38Å; I174-L193 HydrophobicContact CD1-CD2 4.16Å; I189-L193 HydrophobicContact CG2-CD1 3.89Å; I189-L193 HydrophobicContact CG2-CG 4.24Å; I189-L193 WeakPolarHBondContact O-CB 3.41Å; I189-L193 VanDerWaalsContact O-CG 3.26Å; I189-L193 WeakPolarHBondContact O-CG 3.28Å; I189-L193 PolarHBondContact O-N 3.03Å; R190-L193 PolarHBondContact O-N 2.81Å; L193-N195 PolarHBondContact O-N 3.09Å; L193-G196 PolarHBondContact O-N 2.85Å; L193-M197 WeakPolarHBondContact O-CG 3.35Å
194	M	91	Very high	82.6	Confident	26 Å²	26	46.9 Å²	46.9	13%	0.128	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-23.9	177.1	-75.7	-176.8	178	0	0	112.9	L144 M147 Y148 R190 D191 G196 M197 L216 R217	L144-M194 HydrophobicContact CD1-CG 4.39Å; L144-M194 HydrophobicContact CD2-CE 3.44Å; L144-M194 VanDerWaalsContact CD2-CE 3.44Å; L144-M194 HydrophobicContact CD2-CG 4.26Å; M147-M194 HydrophobicContact SD-CE 4.42Å; Y148-M194 HydrophobicContact CE2-CE 4.17Å; R190-M194 VanDerWaalsContact O-CB 3.23Å; R190-M194 WeakPolarHBondContact O-CB 3.49Å; R190-M194 WeakPolarHBondContact O-CG 3.23Å; R190-M194 PolarHBondContact O-N 2.87Å; D191-M194 PolarHBondContact O-N 3.17Å; M194-G196 PolarHBondContact O-N 2.87Å; M194-M197 HydrophobicContact CG-SD 4.26Å; M194-M197 PolarHBondContact O-N 2.86Å; M194-M197 VanDerWaalsContact O-N 3.09Å; M194-L216 HydrophobicContact CB-CB 4.08Å; M194-L216 HydrophobicContact CG-CB 4.13Å; M194-L216 HydrophobicContact SD-CB 4.47Å; M194-R217 HydrophobicContact CB-CB 4.07Å
195	N	89.4	Confident	84.4	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.011	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.3	173.3	-167.1	61.1	0	0	0	112.8	D191 I192 L193 T215 R217 S220 L260 Q261 P262	D191-N195 PolarHBondContact O-N 3.37Å; D191-N195 VanDerWaalsContact O-N 3.12Å; I192-N195 VanDerWaalsContact O-CB 3.23Å; I192-N195 WeakPolarHBondContact O-CB 3.17Å; I192-N195 PolarHBondContact O-N 2.84Å; L193-N195 PolarHBondContact O-N 3.09Å; N195-T215 WeakPolarHBondContact O-CG2 3.45Å; N195-R217 PolarHBondContact OD1-NE 2.86Å; N195-R217 VanDerWaalsContact OD1-NE 3.09Å; N195-S220 PolarHBondContact OD1-OG 3.49Å; N195-L260 PolarHBondContact ND2-O 3.25Å; N195-Q261 PolarHBondContact ND2-O 2.9Å; N195-P262 WeakPolarHBondContact OD1-CA 3.18Å
196	G	93	Very high	86.3	Confident	5 Å²	5	37.1 Å²	37.1	5%	0.052	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	7.4	176.2	0	0	0	0	0	113.9	I155 F156 L193 M194	I155-G196 WeakPolarHBondContact CA-O 3.18Å; F156-G196 WeakPolarHBondContact CD2-O 3.34Å; F156-G196 PolarHBondContact N-O 3.46Å; L193-G196 PolarHBondContact O-N 2.85Å; M194-G196 PolarHBondContact O-N 2.87Å
197	M	94.9	Very high	87.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.2	-175.4	-61.5	173.4	74.3	0	0	111.1	F139 L144 Y148 M153 T154 I155 L193 M194 T215 L216	F139-M197 HydrophobicContact CE2-CE 3.81Å; F139-M197 HydrophobicContact CE2-CG 4.42Å; F139-M197 HydrophobicContact CE2-SD 3.64Å; F139-M197 HydrophobicContact CZ-CE 3.62Å; F139-M197 HydrophobicContact CZ-SD 4.09Å; L144-M197 HydrophobicContact CD1-SD 4.06Å; Y148-M197 HydrophobicContact CD2-CE 3.9Å; Y148-M197 HydrophobicContact CE2-CE 4.33Å; Y148-M197 HydrophobicContact CG-CE 4.18Å; M153-M197 HydrophobicContact CG-CE 3.99Å; M153-M197 HydrophobicContact SD-CB 3.98Å; M153-M197 HydrophobicContact SD-CE 4.14Å; T154-M197 CarbonylContact O-C 3.52Å; T154-M197 WeakPolarHBondContact O-CA 3.43Å; I155-M197 HydrophobicContact CG1-CG 4.36Å; L193-M197 WeakPolarHBondContact O-CG 3.35Å; M194-M197 HydrophobicContact CG-SD 4.26Å; M194-M197 PolarHBondContact O-N 2.86Å; M194-M197 VanDerWaalsContact O-N 3.09Å; M197-T215 CarbonylContact O-C 3.54Å; M197-T215 WeakPolarHBondContact O-CA 3.31Å; M197-T215 WeakPolarHBondContact O-CB 3.3Å; M197-L216 HydrophobicContact CB-CB 4.3Å; M197-L216 HydrophobicContact CB-CD1 3.73Å; M197-L216 HydrophobicContact CB-CG 4.07Å; M197-L216 HydrophobicContact CE-CD1 3.72Å; M197-L216 PolarHBondContact O-N 3.31Å; M197-L216 HydrophobicContact SD-CD1 4.14Å
198	V	95.3	Very high	89	Confident	3 Å²	3	31 Å²	31	2%	0.018	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.1	179.2	174.3	0	0	0	0	108.8	T154 F156 V202 L213 P214 L222	T154-V198 PolarHBondContact N-O 3.26Å; T154-V198 PolarHBondContact O-N 3.36Å; F156-V198 HydrophobicContact CD2-CG2 4.47Å; F156-V198 HydrophobicContact CE2-CG2 3.95Å; V198-V202 HydrophobicContact CG1-CG2 3.95Å; V198-L213 HydrophobicContact CG1-CB 4.3Å; V198-L213 HydrophobicContact CG2-CB 4Å; V198-L213 HydrophobicContact CG2-CD1 4.44Å; V198-P214 WeakPolarHBondContact CG1-O 3.14Å; V198-L222 HydrophobicContact CG2-CD1 3.92Å
199	E	94.5	Very high	89.4	Confident	127 Å²	127	32 Å²	32	59%	0.593	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	137.1	178.5	-174.5	166.5	-155.5	0	0	111.3	L216	E199-L216 HydrophobicContact CB-CD2 4.42Å
200	G	94.6	Very high	89.2	Confident	21 Å²	21	35.5 Å²	35.5	22%	0.216	18%	0.183	C	C	.	.	S	Bend	trans	92.3	177.8	-176.2	0	0	0	0	0	113.9	N152 M153 T154	N152-G200 WeakPolarHBondContact O-CA 3.49Å; N152-G200 PolarHBondContact O-N 2.94Å; M153-G200 CarbonylContact C-O 3.25Å; M153-G200 WeakPolarHBondContact CA-O 3.41Å; T154-G200 PolarHBondContact N-O 3.17Å; T154-G200 PolarHBondContact OG1-O 3.46Å
201	M	94.1	Very high	89	Confident	63 Å²	63	36 Å²	36	31%	0.31	19%	0.189	S	C	.	.			trans	-101.6	99.5	177.1	-72.8	179.1	-59.2	0	0	108.6	N152 I252	N152-M201 HydrophobicContact CB-CG 4.22Å; M201-I252 HydrophobicContact CB-CD1 3.76Å; M201-I252 HydrophobicContact CB-CG1 4.33Å; M201-I252 HydrophobicContact CG-CD1 4.37Å; M201-I252 HydrophobicContact CG-CG1 4.42Å
202	V	94.9	Very high	89.1	Confident	21 Å²	21	34.6 Å²	34.6	13%	0.127	19%	0.185	C	C	.	.			trans	-107.8	105.7	-177.3	-176.6	0	0	0	0	108.2	T154 V198 D206 M207 L213 H254	T154-V202 HydrophobicContact CG2-CB 4.23Å; T154-V202 PolarHBondContact OG1-N 2.94Å; V198-V202 HydrophobicContact CG1-CG2 3.95Å; V202-D206 HydrophobicContact CG1-CB 4.01Å; V202-M207 HydrophobicContact CG1-CE 4.05Å; V202-M207 HydrophobicContact CG1-CG 3.84Å; V202-L213 HydrophobicContact CG1-CD1 4.2Å; V202-L213 HydrophobicContact CG1-CD2 4.03Å; V202-H254 PolarHBondContact O-NE2 3.26Å
203	H	94.1	Very high	89.5	Confident	36 Å²	36	34.2 Å²	34.2	17%	0.167	18%	0.183	C	C	.	.			trans	-80.6	164.9	172.8	-61.3	86.2	0	0	0	110.8	E100 Y205 D206 M207 D245 I252	E100-H203 IonicContact OE2-CE1 2.66Å; E100-H203 IonicContact OE2-ND1 3.79Å; H203-Y205 HydrophobicContact CB-CD1 3.65Å; H203-Y205 HydrophobicContact CB-CD2 3.94Å; H203-Y205 HydrophobicContact CB-CE1 3.32Å; H203-Y205 HydrophobicContact CB-CE2 3.62Å; H203-Y205 HydrophobicContact CB-CG 3.96Å; H203-Y205 AromaticContact CD2-CE1 3.78Å; H203-Y205 AromaticContact CD2-CZ 3.7Å; H203-Y205 PolarHBondContact CD2-OH 2.85Å; H203-Y205 PolarHBondContact CE1-OH 2.81Å; H203-Y205 VanDerWaalsContact CE1-OH 3.29Å; H203-Y205 AromaticContact CG-CE1 3.56Å; H203-Y205 AromaticContact CG-CE2 3.84Å; H203-Y205 AromaticContact CG-CZ 3.25Å; H203-Y205 AromaticContact ND1-CE2 3.9Å; H203-Y205 AromaticContact ND1-CZ 3.54Å; H203-Y205 PolarHBondContact ND1-OH 2.89Å; H203-Y205 PolarHBondContact NE2-OH 3.14Å; H203-Y205 PolarHBondContact O-N 3.09Å; H203-Y205 VanDerWaalsContact O-N 3.14Å; H203-D206 WeakPolarHBondContact CB-OD2 3.28Å; H203-D206 IonicContact CG-OD2 3.06Å; H203-D206 PolarHBondContact N-OD2 3.36Å; H203-D206 IonicContact ND1-OD2 3.51Å; H203-D206 PolarHBondContact ND1-OD2 2.82Å; H203-D206 VanDerWaalsContact ND1-OD2 3.17Å; H203-D206 WeakPolarHBondContact O-CA 3.45Å; H203-D206 WeakPolarHBondContact O-CB 3.49Å; H203-D206 PolarHBondContact O-N 2.82Å; H203-M207 WeakPolarHBondContact O-CG 3.47Å; H203-M207 PolarHBondContact O-N 3.18Å; H203-D245 WeakPolarHBondContact CA-OD1 3.48Å; H203-D245 VanDerWaalsContact CB-OD1 3.24Å; H203-D245 WeakPolarHBondContact CB-OD1 3.32Å; H203-D245 IonicContact CD2-OD1 2.75Å; H203-D245 IonicContact CG-OD1 2.65Å; H203-I252 WeakPolarHBondContact CE1-CD1 3.43Å; H203-I252 VanDerWaalsContact NE2-CD1 3.32Å; H203-I252 WeakPolarHBondContact NE2-CD1 3.21Å
204	T	92	Very high	89.5	Confident	21 Å²	21	38.5 Å²	38.5	13%	0.129	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.1	174.9	50.5	0	0	0	0	113.7	M207 I241 D245	T204-M207 HydrophobicContact CG2-SD 4.49Å; T204-M207 PolarHBondContact O-N 3.34Å; T204-I241 HydrophobicContact CG2-CD1 4.25Å; T204-D245 PolarHBondContact N-OD1 3.43Å; T204-D245 PolarHBondContact OG1-OD2 3.25Å
205	Y	89.8	Confident	89.5	Confident	12 Å²	12	38.1 Å²	38.1	5%	0.047	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-11.9	174.2	56	-104.9	0	0	0	113.9	Y76 A79 V81 V98 E100 H203	Y76-Y205 HydrophobicContact CD2-CG 4.2Å; Y76-Y205 VanDerWaalsContact CE2-CB 3.41Å; Y76-Y205 HydrophobicContact CE2-CG 4.43Å; Y76-Y205 HydrophobicContact CG-CD1 4.28Å; Y76-Y205 HydrophobicContact CG-CG 4.37Å; A79-Y205 HydrophobicContact CB-CD1 3.78Å; A79-Y205 HydrophobicContact CB-CD2 4.02Å; A79-Y205 HydrophobicContact CB-CE1 3.48Å; A79-Y205 VanDerWaalsContact CB-CE1 3.48Å; A79-Y205 HydrophobicContact CB-CE2 3.76Å; A79-Y205 HydrophobicContact CB-CG 4.02Å; A79-Y205 VanDerWaalsContact CB-CZ 3.46Å; V81-Y205 HydrophobicContact CG2-CD2 3.87Å; V81-Y205 HydrophobicContact CG2-CG 4.24Å; V98-Y205 HydrophobicContact CG1-CD2 4.43Å; V98-Y205 HydrophobicContact CG1-CE2 3.99Å; E100-Y205 WeakPolarHBondContact OE2-CE2 3.34Å; E100-Y205 PolarHBondContact OE2-OH 3.33Å; H203-Y205 HydrophobicContact CB-CD1 3.65Å; H203-Y205 HydrophobicContact CB-CD2 3.94Å; H203-Y205 HydrophobicContact CB-CE1 3.32Å; H203-Y205 HydrophobicContact CB-CE2 3.62Å; H203-Y205 HydrophobicContact CB-CG 3.96Å; H203-Y205 AromaticContact CD2-CE1 3.78Å; H203-Y205 AromaticContact CD2-CZ 3.7Å; H203-Y205 PolarHBondContact CD2-OH 2.85Å; H203-Y205 PolarHBondContact CE1-OH 2.81Å; H203-Y205 VanDerWaalsContact CE1-OH 3.29Å; H203-Y205 AromaticContact CG-CE1 3.56Å; H203-Y205 AromaticContact CG-CE2 3.84Å; H203-Y205 AromaticContact CG-CZ 3.25Å; H203-Y205 AromaticContact ND1-CE2 3.9Å; H203-Y205 AromaticContact ND1-CZ 3.54Å; H203-Y205 PolarHBondContact ND1-OH 2.89Å; H203-Y205 PolarHBondContact NE2-OH 3.14Å; H203-Y205 PolarHBondContact O-N 3.09Å; H203-Y205 VanDerWaalsContact O-N 3.14Å
206	D	91.3	Very high	89.6	Confident	20 Å²	20	39.9 Å²	39.9	11%	0.107	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-13.2	168.2	-61.9	-56.8	0	0	0	111.4	R54 V202 H203	R54-D206 IonicContact CZ-OD1 3.19Å; R54-D206 IonicContact NH1-OD1 3.46Å; R54-D206 PolarHBondContact NH1-OD1 2.86Å; R54-D206 IonicContact NH2-OD1 2.73Å; R54-D206 PolarHBondContact NH2-OD1 3.41Å; R54-D206 IonicContact NH2-OD2 3.6Å; R54-D206 PolarHBondContact NH2-OD2 3.08Å; V202-D206 HydrophobicContact CG1-CB 4.01Å; H203-D206 WeakPolarHBondContact CB-OD2 3.28Å; H203-D206 IonicContact CG-OD2 3.06Å; H203-D206 PolarHBondContact N-OD2 3.36Å; H203-D206 IonicContact ND1-OD2 3.51Å; H203-D206 PolarHBondContact ND1-OD2 2.82Å; H203-D206 VanDerWaalsContact ND1-OD2 3.17Å; H203-D206 WeakPolarHBondContact O-CA 3.45Å; H203-D206 WeakPolarHBondContact O-CB 3.49Å; H203-D206 PolarHBondContact O-N 2.82Å
207	M	91.3	Very high	89.2	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-85.4	119.6	177.7	-59.2	179.1	-165.5	0	0	110	F156 V202 H203 T204 L213 V224 H226 V234 I241 H254	F156-M207 HydrophobicContact CE1-CE 3.88Å; F156-M207 HydrophobicContact CE1-SD 4.5Å; F156-M207 HydrophobicContact CZ-CE 3.52Å; F156-M207 HydrophobicContact CZ-SD 4.31Å; V202-M207 HydrophobicContact CG1-CE 4.05Å; V202-M207 HydrophobicContact CG1-CG 3.84Å; H203-M207 WeakPolarHBondContact O-CG 3.47Å; H203-M207 PolarHBondContact O-N 3.18Å; T204-M207 HydrophobicContact CG2-SD 4.49Å; T204-M207 PolarHBondContact O-N 3.34Å; M207-L213 HydrophobicContact CE-CD1 4.4Å; M207-L213 HydrophobicContact CG-CD1 4.24Å; M207-L213 HydrophobicContact SD-CD1 4.43Å; M207-V224 HydrophobicContact CB-CG1 3.74Å; M207-V224 HydrophobicContact CB-CG2 4.19Å; M207-V224 HydrophobicContact CG-CG2 4.4Å; M207-V224 HydrophobicContact SD-CG2 4.48Å; M207-H226 PolarHBondContact O-CE1 3.49Å; M207-H226 VanDerWaalsContact O-CE1 3.3Å; M207-H226 PolarHBondContact O-NE2 2.86Å; M207-H226 VanDerWaalsContact O-NE2 3.09Å; M207-V234 HydrophobicContact SD-CG1 4.16Å; M207-I241 HydrophobicContact CE-CD1 4.46Å; M207-I241 HydrophobicContact SD-CD1 4.14Å; M207-H254 WeakPolarHBondContact CE-NE2 3.28Å
208	D	84.6	Confident	88.5	Confident	52 Å²	52	49.4 Å²	49.4	28%	0.278	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-97	144.7	176.1	-83.8	-39.1	0	0	0	112	K83 N210 E211 V224	K83-D208 IonicContact NZ-OD1 2.71Å; K83-D208 PolarHBondContact NZ-OD1 3.37Å; K83-D208 IonicContact NZ-OD2 3.73Å; K83-D208 PolarHBondContact NZ-OD2 3.29Å; D208-N210 PolarHBondContact O-N 3.3Å; D208-E211 HydrophobicContact CB-CB 3.83Å; D208-E211 PolarHBondContact O-N 2.83Å; D208-E211 VanDerWaalsContact O-N 3.09Å; D208-V224 WeakPolarHBondContact O-CG1 3.42Å
209	D	79.3	Confident	87.5	Confident	75 Å²	75	55.1 Å²	55.1	40%	0.401	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	128.4	177	-170.4	53.4	0	0	0	110.4	E211 R225 H226	D209-E211 PolarHBondContact O-N 2.86Å; D209-R225 VanDerWaalsContact OD1-CA 3.25Å; D209-R225 WeakPolarHBondContact OD1-CA 3.1Å; D209-H226 HydrophobicContact CB-CB 4.3Å; D209-H226 PolarHBondContact OD1-N 3.34Å
210	N	72.8	Confident	86.9	Confident	77 Å²	77	49.3 Å²	49.3	41%	0.412	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	5.9	-174	-49.1	-61.6	0	0	0	115.9	D208 P212 V224 R225	D208-N210 PolarHBondContact O-N 3.3Å; N210-P212 WeakPolarHBondContact O-CD 3.45Å; N210-V224 PolarHBondContact N-O 3.25Å; N210-R225 WeakPolarHBondContact OD1-CD 3.35Å; N210-R225 PolarHBondContact OD1-NE 2.81Å; N210-R225 PolarHBondContact OD1-NH1 3.37Å
211	E	80.5	Confident	86.5	Confident	89 Å²	89	54.7 Å²	54.7	42%	0.416	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-89.5	119.2	171.7	-168.6	171.7	168.3	0	0	110.4	D208 D209	D208-E211 HydrophobicContact CB-CB 3.83Å; D208-E211 PolarHBondContact O-N 2.83Å; D208-E211 VanDerWaalsContact O-N 3.09Å; D209-E211 PolarHBondContact O-N 2.86Å
212	P	82.8	Confident	86.2	Confident	50 Å²	50	51.7 Å²	51.7	33%	0.325	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.1	178	30.3	-32.8	0	0	0	111.5	N210 R221 L222	N210-P212 WeakPolarHBondContact O-CD 3.45Å; P212-R221 HydrophobicContact CB-CB 4.02Å; P212-L222 CarbonylContact C-O 3.58Å; P212-L222 VanDerWaalsContact CA-O 3.32Å; P212-L222 WeakPolarHBondContact CA-O 3.42Å
213	L	89.3	Confident	85.7	Confident	16 Å²	16	51.6 Å²	51.6	8%	0.084	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130	173.3	-57.1	172	0	0	0	110.6	F156 V198 V202 M207 R221 L222 V224	F156-L213 HydrophobicContact CE2-CD1 4.14Å; F156-L213 HydrophobicContact CZ-CD1 3.9Å; V198-L213 HydrophobicContact CG1-CB 4.3Å; V198-L213 HydrophobicContact CG2-CB 4Å; V198-L213 HydrophobicContact CG2-CD1 4.44Å; V202-L213 HydrophobicContact CG1-CD1 4.2Å; V202-L213 HydrophobicContact CG1-CD2 4.03Å; M207-L213 HydrophobicContact CE-CD1 4.4Å; M207-L213 HydrophobicContact CG-CD1 4.24Å; M207-L213 HydrophobicContact SD-CD1 4.43Å; L213-R221 CarbonylContact O-C 3.6Å; L213-R221 VanDerWaalsContact O-CA 3.28Å; L213-R221 WeakPolarHBondContact O-CA 3.26Å; L213-L222 HydrophobicContact CB-CB 4.18Å; L213-L222 PolarHBondContact N-O 3.44Å; L213-L222 PolarHBondContact O-N 3.22Å; L213-V224 HydrophobicContact CD1-CG2 3.95Å; L213-V224 HydrophobicContact CG-CG2 3.91Å
214	P	89.1	Confident	85.4	Confident	91 Å²	91	49.9 Å²	49.9	59%	0.591	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	131.9	173.9	29.6	-33	0	0	0	110.3	V198	V198-P214 WeakPolarHBondContact CG1-O 3.14Å
215	T	91.2	Very high	84.9	Confident	17 Å²	17	51.8 Å²	51.8	10%	0.104	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-98.2	166.7	176.5	79.6	0	0	0	0	111.3	N195 M197 R217 S220 L222	N195-T215 WeakPolarHBondContact O-CG2 3.45Å; M197-T215 CarbonylContact O-C 3.54Å; M197-T215 WeakPolarHBondContact O-CA 3.31Å; M197-T215 WeakPolarHBondContact O-CB 3.3Å; T215-R217 PolarHBondContact O-N 2.88Å; T215-R217 PolarHBondContact OG1-N 2.65Å; T215-R217 PolarHBondContact OG1-O 2.87Å; T215-S220 PolarHBondContact N-O 3.12Å; T215-S220 WeakPolarHBondContact OG1-CB 3.43Å; T215-S220 PolarHBondContact OG1-O 3.46Å; T215-S220 PolarHBondContact OG1-OG 3.48Å; T215-L222 HydrophobicContact CG2-CB 4.37Å; T215-L222 HydrophobicContact CG2-CD1 3.99Å; T215-L222 HydrophobicContact CG2-CD2 4.27Å; T215-L222 HydrophobicContact CG2-CG 3.52Å
216	L	91.3	Very high	84.6	Confident	40 Å²	40	53.7 Å²	53.7	21%	0.209	27%	0.268	C	S	.	.	S	Bend	trans	-68.4	-18.9	171.8	-69.6	-178.4	0	0	0	113.5	Y148 M153 M194 M197 E199	Y148-L216 HydrophobicContact CD1-CD1 3.99Å; Y148-L216 HydrophobicContact CD2-CD1 4.48Å; Y148-L216 HydrophobicContact CE1-CD1 3.42Å; Y148-L216 VanDerWaalsContact CE1-CD1 3.42Å; Y148-L216 HydrophobicContact CE1-CD2 4.1Å; Y148-L216 HydrophobicContact CE1-CG 4.42Å; Y148-L216 HydrophobicContact CE2-CD1 4Å; Y148-L216 HydrophobicContact CG-CD1 4.49Å; Y148-L216 VanDerWaalsContact CZ-CD1 3.44Å; M153-L216 HydrophobicContact CE-CD1 3.64Å; M153-L216 HydrophobicContact CE-CD2 4.38Å; M153-L216 HydrophobicContact CE-CG 4.32Å; M153-L216 HydrophobicContact SD-CD1 3.71Å; M153-L216 HydrophobicContact SD-CG 4.22Å; M194-L216 HydrophobicContact CB-CB 4.08Å; M194-L216 HydrophobicContact CG-CB 4.13Å; M194-L216 HydrophobicContact SD-CB 4.47Å; M197-L216 HydrophobicContact CB-CB 4.3Å; M197-L216 HydrophobicContact CB-CD1 3.73Å; M197-L216 HydrophobicContact CB-CG 4.07Å; M197-L216 HydrophobicContact CE-CD1 3.72Å; M197-L216 PolarHBondContact O-N 3.31Å; M197-L216 HydrophobicContact SD-CD1 4.14Å; E199-L216 HydrophobicContact CB-CD2 4.42Å
217	R	86.1	Confident	84.1	Confident	45 Å²	45	57.2 Å²	57.2	17%	0.17	28%	0.284	C	S	.	.	S	Bend	trans	-73.2	127.4	171.5	-171.5	-179.7	77.7	80.5	5.9	108.8	D191 M194 N195 T215 D219 S220	D191-R217 VanDerWaalsContact O-CD 3.3Å; D191-R217 WeakPolarHBondContact O-CD 3.27Å; M194-R217 HydrophobicContact CB-CB 4.07Å; N195-R217 PolarHBondContact OD1-NE 2.86Å; N195-R217 VanDerWaalsContact OD1-NE 3.09Å; T215-R217 PolarHBondContact O-N 2.88Å; T215-R217 PolarHBondContact OG1-N 2.65Å; T215-R217 PolarHBondContact OG1-O 2.87Å; R217-D219 PolarHBondContact O-N 3.1Å; R217-S220 VanDerWaalsContact CZ-OG 3.3Å; R217-S220 VanDerWaalsContact NE-CB 3.27Å; R217-S220 PolarHBondContact NE-OG 3.04Å; R217-S220 VanDerWaalsContact NE-OG 3.11Å; R217-S220 PolarHBondContact NH2-OG 3.36Å; R217-S220 WeakPolarHBondContact O-CB 3.44Å; R217-S220 PolarHBondContact O-N 3.29Å
218	Q	79	Confident	82.9	Confident	160 Å²	160	59.8 Å²	59.8	75%	0.748	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	139.7	178.6	-169.3	177.1	-20.2	0	0	111	S220	Q218-S220 PolarHBondContact O-N 3.3Å; Q218-S220 VanDerWaalsContact O-N 3.15Å
219	D	74.5	Confident	81.6	Confident	123 Å²	123	64.6 Å²	64.6	66%	0.658	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	30.1	179.5	-55.7	-43.5	0	0	0	114.4	R217	R217-D219 PolarHBondContact O-N 3.1Å
220	S	82.5	Confident	80.3	Confident	5 Å²	5	69.9 Å²	69.9	4%	0.035	36%	0.357	C	S	.	.			trans	-124.4	137.6	-178.9	-168.7	0	0	0	0	112.4	N195 T215 R217 Q218	N195-S220 PolarHBondContact OD1-OG 3.49Å; T215-S220 PolarHBondContact N-O 3.12Å; T215-S220 WeakPolarHBondContact OG1-CB 3.43Å; T215-S220 PolarHBondContact OG1-O 3.46Å; T215-S220 PolarHBondContact OG1-OG 3.48Å; R217-S220 VanDerWaalsContact CZ-OG 3.3Å; R217-S220 VanDerWaalsContact NE-CB 3.27Å; R217-S220 PolarHBondContact NE-OG 3.04Å; R217-S220 VanDerWaalsContact NE-OG 3.11Å; R217-S220 PolarHBondContact NH2-OG 3.36Å; R217-S220 WeakPolarHBondContact O-CB 3.44Å; R217-S220 PolarHBondContact O-N 3.29Å; Q218-S220 PolarHBondContact O-N 3.3Å; Q218-S220 VanDerWaalsContact O-N 3.15Å
221	R	86	Confident	79.4	Confident	134 Å²	134	68.6 Å²	68.6	51%	0.506	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153	179.1	-50.3	-179.2	-163.4	-131.3	0.1	110.7	P212 L213 L369	P212-R221 HydrophobicContact CB-CB 4.02Å; L213-R221 CarbonylContact O-C 3.6Å; L213-R221 VanDerWaalsContact O-CA 3.28Å; L213-R221 WeakPolarHBondContact O-CA 3.26Å; R221-L369 HydrophobicContact CG-CD2 4.5Å
222	L	88.5	Confident	78.8	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	111.6	174.8	-72.9	-178.1	0	0	0	109.1	F156 V198 P212 L213 T215 V224 V236 N237 L260	F156-L222 HydrophobicContact CD2-CD1 3.42Å; F156-L222 VanDerWaalsContact CD2-CD1 3.42Å; F156-L222 HydrophobicContact CE2-CD1 3.56Å; F156-L222 HydrophobicContact CG-CD1 4.16Å; F156-L222 HydrophobicContact CZ-CD1 4.38Å; V198-L222 HydrophobicContact CG2-CD1 3.92Å; P212-L222 CarbonylContact C-O 3.58Å; P212-L222 VanDerWaalsContact CA-O 3.32Å; P212-L222 WeakPolarHBondContact CA-O 3.42Å; L213-L222 HydrophobicContact CB-CB 4.18Å; L213-L222 PolarHBondContact N-O 3.44Å; L213-L222 PolarHBondContact O-N 3.22Å; T215-L222 HydrophobicContact CG2-CB 4.37Å; T215-L222 HydrophobicContact CG2-CD1 3.99Å; T215-L222 HydrophobicContact CG2-CD2 4.27Å; T215-L222 HydrophobicContact CG2-CG 3.52Å; L222-V224 PolarHBondContact O-N 3.44Å; L222-V236 HydrophobicContact CB-CG1 3.49Å; L222-V236 VanDerWaalsContact CB-CG1 3.49Å; L222-V236 HydrophobicContact CD1-CG1 3.95Å; L222-V236 HydrophobicContact CD2-CG1 3.88Å; L222-V236 HydrophobicContact CG-CG1 3.91Å; L222-N237 WeakPolarHBondContact CA-OD1 3.35Å; L222-L260 HydrophobicContact CD1-CD1 4.13Å; L222-L260 HydrophobicContact CD2-CB 4.49Å; L222-L260 HydrophobicContact CD2-CD1 3.82Å
223	V	83.6	Confident	78.9	Confident	19 Å²	19	69.3 Å²	69.3	12%	0.115	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	116.9	-179.7	-178.9	0	0	0	0	109.3	V236 N237	V223-V236 CarbonylContact O-C 3.57Å; V223-V236 VanDerWaalsContact O-CA 3.32Å; V223-V236 WeakPolarHBondContact O-CA 3.44Å; V223-N237 PolarHBondContact N-OD1 3.25Å; V223-N237 PolarHBondContact O-N 3.09Å
224	V	87.1	Confident	78.9	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.8	178.3	178.1	0	0	0	0	110.4	M207 D208 N210 L213 L222 V234 V236	M207-V224 HydrophobicContact CB-CG1 3.74Å; M207-V224 HydrophobicContact CB-CG2 4.19Å; M207-V224 HydrophobicContact CG-CG2 4.4Å; M207-V224 HydrophobicContact SD-CG2 4.48Å; D208-V224 WeakPolarHBondContact O-CG1 3.42Å; N210-V224 PolarHBondContact N-O 3.25Å; L213-V224 HydrophobicContact CD1-CG2 3.95Å; L213-V224 HydrophobicContact CG-CG2 3.91Å; L222-V224 PolarHBondContact O-N 3.44Å; V224-V234 HydrophobicContact CG1-CG1 4.03Å; V224-V236 HydrophobicContact CG2-CG2 4.4Å
225	R	82.9	Confident	78.9	Confident	61 Å²	61	65.4 Å²	65.4	23%	0.23	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.3	170	-64.7	-67	-161.2	139.4	6.5	112.2	D209 N210 V234 T235 S298	D209-R225 VanDerWaalsContact OD1-CA 3.25Å; D209-R225 WeakPolarHBondContact OD1-CA 3.1Å; N210-R225 WeakPolarHBondContact OD1-CD 3.35Å; N210-R225 PolarHBondContact OD1-NE 2.81Å; N210-R225 PolarHBondContact OD1-NH1 3.37Å; R225-V234 WeakPolarHBondContact O-CA 3.14Å; R225-T235 WeakPolarHBondContact CB-OG1 3.2Å; R225-T235 PolarHBondContact N-O 3.23Å; R225-T235 PolarHBondContact O-N 3.18Å; R225-T235 PolarHBondContact O-OG1 3.42Å; R225-S298 PolarHBondContact NH2-O 3.49Å; R225-S298 PolarHBondContact NH2-OG 2.9Å
226	H	83.8	Confident	78.8	Confident	51 Å²	51	64.6 Å²	64.6	24%	0.236	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.1	177.5	-71.7	-133.5	0	0	0	110.3	M207 D209	M207-H226 PolarHBondContact O-CE1 3.49Å; M207-H226 VanDerWaalsContact O-CE1 3.3Å; M207-H226 PolarHBondContact O-NE2 2.86Å; M207-H226 VanDerWaalsContact O-NE2 3.09Å; D209-H226 HydrophobicContact CB-CB 4.3Å; D209-H226 PolarHBondContact OD1-N 3.34Å
227	H	79.2	Confident	78.6	Confident	95 Å²	95	62.9 Å²	62.9	44%	0.44	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.9	-178.6	-56.9	-84.9	0	0	0	112	K232 T233 T235	H227-K232 WeakPolarHBondContact O-CA 3.16Å; H227-T233 PolarHBondContact CD2-O 3.32Å; H227-T233 PolarHBondContact N-O 3.18Å; H227-T233 PolarHBondContact O-N 3.15Å; H227-T235 PolarHBondContact CD2-OG1 2.93Å; H227-T235 PolarHBondContact NE2-OG1 3.36Å
228	G	65.9	Low	78.4	Confident	56 Å²	56	63 Å²	63	58%	0.577	33%	0.33	S	S	*	.			trans	87.7	140.2	170.9	0	0	0	0	0	115.2
229	D	58.1	Low	78.9	Confident	153 Å²	153	55.7 Å²	55.7	82%	0.818	30%	0.296	S	S	*	.	S	Bend	trans	-76.6	-30.2	-178.9	-62.9	-35	0	0	0	113.1
230	F	51.6	Low	79.7	Confident	186 Å²	186	56.3 Å²	56.3	82%	0.816	29%	0.289	S	S	*	.	S	Bend	trans	-118.5	3.3	-168.8	-60.9	-75.9	0	0	0	114.8
231	G	53.8	Low	80.2	Confident	49 Å²	49	56.9 Å²	56.9	51%	0.505	29%	0.292	S	S	.	.	S	Bend	trans	-167	79.6	-178.7	0	0	0	0	0	109.3	T233	G231-T233 PolarHBondContact O-N 3.25Å; G231-T233 PolarHBondContact O-OG1 2.99Å
232	K	69.6	Low	80.5	Confident	111 Å²	111	57.8 Å²	57.8	48%	0.483	30%	0.295	S	S	.	.			trans	-54.3	97.1	-174.3	-66.1	-178.2	-178.3	-179.9	0	110.1	H227	H227-K232 WeakPolarHBondContact O-CA 3.16Å
233	T	83.9	Confident	80.8	Confident	43 Å²	43	62.8 Å²	62.8	26%	0.264	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	115.4	168.7	-61.7	0	0	0	0	106.5	H227 G231 R240	H227-T233 PolarHBondContact CD2-O 3.32Å; H227-T233 PolarHBondContact N-O 3.18Å; H227-T233 PolarHBondContact O-N 3.15Å; G231-T233 PolarHBondContact O-N 3.25Å; G231-T233 PolarHBondContact O-OG1 2.99Å; T233-R240 HydrophobicContact CG2-CG 3.8Å
234	V	89.2	Confident	81.2	Confident	12 Å²	12	64 Å²	64	7%	0.073	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129.3	175.6	-176.1	0	0	0	0	108.3	M207 V224 R225 I241	M207-V234 HydrophobicContact SD-CG1 4.16Å; V224-V234 HydrophobicContact CG1-CG1 4.03Å; R225-V234 WeakPolarHBondContact O-CA 3.14Å; V234-I241 HydrophobicContact CB-CD1 4.11Å; V234-I241 HydrophobicContact CG1-CD1 3.86Å; V234-I241 PolarHBondContact O-N 2.87Å
235	T	88.7	Confident	81.6	Confident	13 Å²	13	66 Å²	66	8%	0.08	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145.2	172.5	59.7	0	0	0	0	110	R225 H227 V239 R240	R225-T235 WeakPolarHBondContact CB-OG1 3.2Å; R225-T235 PolarHBondContact N-O 3.23Å; R225-T235 PolarHBondContact O-N 3.18Å; R225-T235 PolarHBondContact O-OG1 3.42Å; H227-T235 PolarHBondContact CD2-OG1 2.93Å; H227-T235 PolarHBondContact NE2-OG1 3.36Å; T235-V239 CarbonylContact C-O 3.55Å; T235-V239 WeakPolarHBondContact CA-O 3.3Å; T235-R240 HydrophobicContact CG2-CB 4.41Å
236	V	90.2	Very high	82.2	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.9	176.8	177.9	0	0	0	0	108.7	F156 L222 V223 V224 C238 V239 I241 L260	F156-V236 HydrophobicContact CD1-CB 4.48Å; F156-V236 HydrophobicContact CD1-CG2 4.29Å; F156-V236 HydrophobicContact CE1-CB 4.27Å; F156-V236 HydrophobicContact CE1-CG1 4.39Å; F156-V236 HydrophobicContact CE1-CG2 3.63Å; F156-V236 HydrophobicContact CZ-CG2 4.13Å; L222-V236 HydrophobicContact CB-CG1 3.49Å; L222-V236 VanDerWaalsContact CB-CG1 3.49Å; L222-V236 HydrophobicContact CD1-CG1 3.95Å; L222-V236 HydrophobicContact CD2-CG1 3.88Å; L222-V236 HydrophobicContact CG-CG1 3.91Å; V223-V236 CarbonylContact O-C 3.57Å; V223-V236 VanDerWaalsContact O-CA 3.32Å; V223-V236 WeakPolarHBondContact O-CA 3.44Å; V224-V236 HydrophobicContact CG2-CG2 4.4Å; V236-C238 PolarHBondContact O-N 3.46Å; V236-V239 PolarHBondContact N-O 2.8Å; V236-V239 WeakPolarHBondContact O-CA 3.49Å; V236-V239 WeakPolarHBondContact O-CB 3.29Å; V236-V239 PolarHBondContact O-N 2.92Å; V236-I241 HydrophobicContact CG2-CD1 3.96Å; V236-I241 HydrophobicContact CG2-CG1 4.3Å; V236-L260 HydrophobicContact CB-CD2 4.47Å; V236-L260 HydrophobicContact CG1-CD2 4.28Å; V236-L260 VanDerWaalsContact O-CD2 3.29Å; V236-L260 WeakPolarHBondContact O-CD2 3.28Å
237	N	86.5	Confident	82.8	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.021	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	42.9	-169	-75.6	6	0	0	0	111.6	L222 V223 V239 L260 Q261 V367	L222-N237 WeakPolarHBondContact CA-OD1 3.35Å; V223-N237 PolarHBondContact N-OD1 3.25Å; V223-N237 PolarHBondContact O-N 3.09Å; N237-V239 PolarHBondContact O-N 3.46Å; N237-V239 VanDerWaalsContact O-N 3.09Å; N237-L260 HydrophobicContact CB-CD2 4.23Å; N237-Q261 PolarHBondContact ND2-O 2.86Å; N237-V367 HydrophobicContact CB-CG1 3.95Å; N237-V367 HydrophobicContact CB-CG2 4.13Å; N237-V367 WeakPolarHBondContact O-CG2 3.26Å
238	C	82.3	Confident	83.6	Confident	47 Å²	47	59.9 Å²	59.9	32%	0.318	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	7.9	-173.9	-64.4	0	0	0	0	116.1	V236 D365 V372	V236-C238 PolarHBondContact O-N 3.46Å; C238-D365 HydrophobicContact CB-CB 4.36Å; C238-V372 WeakPolarHBondContact SG-CG1 3.34Å
239	V	88.8	Confident	85	Confident	7 Å²	7	59.7 Å²	59.7	4%	0.042	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.2	173.3	-175.9	0	0	0	0	110	T235 V236 N237 V256 Q258 L260	T235-V239 CarbonylContact C-O 3.55Å; T235-V239 WeakPolarHBondContact CA-O 3.3Å; V236-V239 PolarHBondContact N-O 2.8Å; V236-V239 WeakPolarHBondContact O-CA 3.49Å; V236-V239 WeakPolarHBondContact O-CB 3.29Å; V236-V239 PolarHBondContact O-N 2.92Å; N237-V239 PolarHBondContact O-N 3.46Å; N237-V239 VanDerWaalsContact O-N 3.09Å; V239-V256 HydrophobicContact CG1-CB 3.8Å; V239-V256 HydrophobicContact CG1-CG2 4.46Å; V239-Q258 HydrophobicContact CB-CB 4.46Å; V239-Q258 HydrophobicContact CG1-CB 3.68Å; V239-Q258 HydrophobicContact CG1-CG 4.32Å; V239-Q258 VanDerWaalsContact CG1-N 3.27Å; V239-Q258 HydrophobicContact CG2-CB 3.91Å; V239-L260 HydrophobicContact CB-CD2 3.84Å; V239-L260 HydrophobicContact CG2-CD2 3.88Å
240	R	90.9	Very high	86.7	Confident	136 Å²	136	53.5 Å²	53.5	51%	0.513	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	134.6	177.3	178.8	176.4	-177.6	172.8	3.2	111.9	T233 T235 R242 V256 D257	T233-R240 HydrophobicContact CG2-CG 3.8Å; T235-R240 HydrophobicContact CG2-CB 4.41Å; R240-R242 PolarHBondContact O-N 2.92Å; R240-V256 WeakPolarHBondContact O-CA 3.36Å; R240-D257 PolarHBondContact O-N 3.45Å; R240-D257 VanDerWaalsContact O-N 3.09Å
241	I	94.3	Very high	88.8	Confident	17 Å²	17	44.7 Å²	44.7	9%	0.087	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	114.1	164	-57.2	176.9	0	0	0	108.3	F156 T204 M207 V234 V236 H254 V255 V256	F156-I241 HydrophobicContact CE1-CD1 3.92Å; F156-I241 HydrophobicContact CE1-CG1 4.47Å; T204-I241 HydrophobicContact CG2-CD1 4.25Å; M207-I241 HydrophobicContact CE-CD1 4.46Å; M207-I241 HydrophobicContact SD-CD1 4.14Å; V234-I241 HydrophobicContact CB-CD1 4.11Å; V234-I241 HydrophobicContact CG1-CD1 3.86Å; V234-I241 PolarHBondContact O-N 2.87Å; V236-I241 HydrophobicContact CG2-CD1 3.96Å; V236-I241 HydrophobicContact CG2-CG1 4.3Å; I241-H254 HydrophobicContact CD1-CB 4.37Å; I241-H254 HydrophobicContact CG2-CB 4.01Å; I241-V255 CarbonylContact C-O 3.56Å; I241-V256 HydrophobicContact CG1-CG1 4.21Å
242	R	92.2	Very high	90.8	Very high	154 Å²	154	42.4 Å²	42.4	58%	0.581	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	-43.6	-179.1	-165.4	-168	179.5	178.3	3.6	112.5	R240 V255 D257	R240-R242 PolarHBondContact O-N 2.92Å; R242-V255 PolarHBondContact N-O 3.17Å; R242-D257 VanDerWaalsContact CB-OD1 3.3Å; R242-D257 WeakPolarHBondContact CB-OD1 3.19Å; R242-D257 VanDerWaalsContact CD-OD1 3.27Å; R242-D257 WeakPolarHBondContact CD-OD1 3.46Å; R242-D257 WeakPolarHBondContact CG-OD1 3.23Å
243	K	93.8	Very high	92.2	Very high	105 Å²	105	37.1 Å²	37.1	46%	0.457	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	117	172.3	-65	-176.9	177.4	-179	0	108.3	Q246 H254 V255	K243-Q246 HydrophobicContact CB-CG 4.4Å; K243-H254 CarbonylContact O-C 3.53Å; K243-V255 HydrophobicContact CB-CB 3.96Å; K243-V255 HydrophobicContact CB-CG2 3.9Å; K243-V255 PolarHBondContact N-O 3.23Å; K243-V255 PolarHBondContact O-N 2.71Å
244	S	93.6	Very high	92.8	Very high	44 Å²	44	35 Å²	35	31%	0.308	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	164.7	179.6	63.1	0	0	0	0	112.2	Q246 H254	S244-Q246 VanDerWaalsContact C-N 3.34Å; S244-Q246 PolarHBondContact O-N 3.28Å; S244-Q246 PolarHBondContact O-NE2 3.48Å; S244-H254 WeakPolarHBondContact CA-ND1 3.46Å
245	D	94.3	Very high	93.2	Very high	42 Å²	42	34.7 Å²	34.7	23%	0.225	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59.7	38.1	161.6	-50.8	-60	0	0	0	113.8	H203 T204 P247 H254	H203-D245 WeakPolarHBondContact CA-OD1 3.48Å; H203-D245 VanDerWaalsContact CB-OD1 3.24Å; H203-D245 WeakPolarHBondContact CB-OD1 3.32Å; H203-D245 IonicContact CD2-OD1 2.75Å; H203-D245 IonicContact CG-OD1 2.65Å; T204-D245 PolarHBondContact N-OD1 3.43Å; T204-D245 PolarHBondContact OG1-OD2 3.25Å; D245-P247 VanDerWaalsContact O-CD 3.23Å; D245-P247 WeakPolarHBondContact O-CD 3.21Å; D245-H254 PolarHBondContact N-CE1 3.11Å; D245-H254 VanDerWaalsContact N-CE1 3.31Å; D245-H254 PolarHBondContact N-ND1 3.09Å; D245-H254 IonicContact OD1-CE1 2.59Å; D245-H254 PolarHBondContact OD1-CE1 2.78Å
246	Q	96.1	Very high	93.5	Very high	51 Å²	51	34 Å²	34	24%	0.238	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	109.1	-179.9	-57	-60.6	-61.2	0	0	110.7	L130 K243 S244 I252 I253	L130-Q246 HydrophobicContact CD1-CB 3.89Å; L130-Q246 HydrophobicContact CD1-CG 4.07Å; L130-Q246 HydrophobicContact CD2-CB 4.42Å; L130-Q246 HydrophobicContact CD2-CG 4Å; K243-Q246 HydrophobicContact CB-CG 4.4Å; S244-Q246 VanDerWaalsContact C-N 3.34Å; S244-Q246 PolarHBondContact O-N 3.28Å; S244-Q246 PolarHBondContact O-NE2 3.48Å; Q246-I252 CarbonylContact O-C 3.58Å; Q246-I252 WeakPolarHBondContact O-CA 3.42Å; Q246-I253 HydrophobicContact CB-CB 4.2Å; Q246-I253 WeakPolarHBondContact CB-O 3.4Å; Q246-I253 PolarHBondContact N-O 3.21Å; Q246-I253 PolarHBondContact O-N 3.18Å
247	P	95.9	Very high	93.5	Very high	27 Å²	27	36.6 Å²	36.6	18%	0.175	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	143.6	-174	31.9	-35.3	0	0	0	112.3	I118 L120 K126 D245	I118-P247 HydrophobicContact CD1-CG 4.16Å; I118-P247 HydrophobicContact CG2-CG 4.31Å; L120-P247 HydrophobicContact CD2-CB 3.91Å; L120-P247 HydrophobicContact CD2-CG 4.45Å; K126-P247 VanDerWaalsContact CE-O 3.28Å; K126-P247 WeakPolarHBondContact CE-O 3.46Å; D245-P247 VanDerWaalsContact O-CD 3.23Å; D245-P247 WeakPolarHBondContact O-CD 3.21Å
248	F	95.8	Very high	93.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	175.8	166.8	69.5	-85.8	0	0	0	110	H103 T121 L123 K126 M153 I155 N250 G251 I253	H103-F248 PolarHBondContact CE1-O 3.15Å; H103-F248 PolarHBondContact NE2-O 3.47Å; T121-F248 WeakPolarHBondContact O-CB 3.5Å; L123-F248 HydrophobicContact CB-CD2 3.72Å; L123-F248 HydrophobicContact CB-CE2 3.74Å; L123-F248 HydrophobicContact CB-CG 4.5Å; L123-F248 HydrophobicContact CD1-CD1 4.23Å; L123-F248 HydrophobicContact CD1-CD2 4.14Å; L123-F248 HydrophobicContact CD1-CE1 4.05Å; L123-F248 HydrophobicContact CD1-CE2 3.96Å; L123-F248 HydrophobicContact CD1-CG 4.27Å; L123-F248 HydrophobicContact CD1-CZ 3.93Å; L123-F248 HydrophobicContact CD2-CE2 4.32Å; L123-F248 HydrophobicContact CG-CD2 4.47Å; L123-F248 HydrophobicContact CG-CE2 4.22Å; K126-F248 HydrophobicContact CB-CB 3.81Å; K126-F248 HydrophobicContact CG-CB 3.97Å; M153-F248 HydrophobicContact CB-CZ 4.45Å; I155-F248 HydrophobicContact CD1-CZ 4.17Å; F248-N250 VanDerWaalsContact C-N 3.26Å; F248-N250 VanDerWaalsContact CD2-OD1 3.31Å; F248-N250 WeakPolarHBondContact CD2-OD1 3.25Å; F248-N250 HydrophobicContact CE2-CB 4.41Å; F248-N250 VanDerWaalsContact CE2-CG 3.48Å; F248-N250 WeakPolarHBondContact CE2-OD1 3.32Å; F248-N250 PolarHBondContact O-N 3.05Å; F248-G251 VanDerWaalsContact CD1-O 3.23Å; F248-G251 WeakPolarHBondContact CD1-O 3.19Å; F248-G251 VanDerWaalsContact CZ-CA 3.46Å; F248-G251 PolarHBondContact N-O 3.27Å; F248-G251 PolarHBondContact O-N 3.05Å; F248-I253 HydrophobicContact CD1-CD1 3.87Å; F248-I253 HydrophobicContact CD1-CG1 3.74Å; F248-I253 HydrophobicContact CE1-CD1 4.42Å; F248-I253 HydrophobicContact CE1-CG1 3.89Å; F248-I253 HydrophobicContact CG-CD1 4.45Å
249	S	94.9	Very high	93.7	Very high	53 Å²	53	40 Å²	40	37%	0.371	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-42.1	-171.6	-61.7	0	0	0	0	115.4	H103 T121	H103-S249 PolarHBondContact NE2-O 2.74Å; T121-S249 PolarHBondContact O-N 3.39Å; T121-S249 PolarHBondContact O-OG 2.89Å; T121-S249 VanDerWaalsContact O-OG 3.06Å
250	N	93.9	Very high	93.6	Very high	23 Å²	23	40 Å²	40	12%	0.123	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	30.7	-175.8	60.6	-58.3	0	0	0	112.6	Y148 K149 K151 N152 M153 F248	Y148-N250 PolarHBondContact O-ND2 3.22Å; Y148-N250 VanDerWaalsContact O-ND2 3.08Å; K149-N250 PolarHBondContact O-ND2 3.27Å; K151-N250 PolarHBondContact O-ND2 3.16Å; N152-N250 CarbonylContact C-O 3.42Å; N152-N250 VanDerWaalsContact CA-O 3.25Å; N152-N250 WeakPolarHBondContact CA-O 3.32Å; M153-N250 PolarHBondContact N-O 3.36Å; F248-N250 VanDerWaalsContact C-N 3.26Å; F248-N250 VanDerWaalsContact CD2-OD1 3.31Å; F248-N250 WeakPolarHBondContact CD2-OD1 3.25Å; F248-N250 HydrophobicContact CE2-CB 4.41Å; F248-N250 VanDerWaalsContact CE2-CG 3.48Å; F248-N250 WeakPolarHBondContact CE2-OD1 3.32Å; F248-N250 PolarHBondContact O-N 3.05Å
251	G	96	Very high	92.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.2	-163.4	-179.1	0	0	0	0	0	117.8	M153 F248	M153-G251 CarbonylContact O-C 3.54Å; M153-G251 WeakPolarHBondContact O-CA 3.42Å; F248-G251 VanDerWaalsContact CD1-O 3.23Å; F248-G251 WeakPolarHBondContact CD1-O 3.19Å; F248-G251 VanDerWaalsContact CZ-CA 3.46Å; F248-G251 PolarHBondContact N-O 3.27Å; F248-G251 PolarHBondContact O-N 3.05Å
252	I	96.7	Very high	91.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.7	-179.3	-61.3	165.8	0	0	0	110.1	M153 T154 I155 M201 H203 Q246	M153-I252 PolarHBondContact O-N 2.83Å; T154-I252 CarbonylContact C-O 3.52Å; T154-I252 VanDerWaalsContact CA-O 3.28Å; T154-I252 WeakPolarHBondContact CA-O 3.44Å; I155-I252 PolarHBondContact N-O 3.31Å; M201-I252 HydrophobicContact CB-CD1 3.76Å; M201-I252 HydrophobicContact CB-CG1 4.33Å; M201-I252 HydrophobicContact CG-CD1 4.37Å; M201-I252 HydrophobicContact CG-CG1 4.42Å; H203-I252 WeakPolarHBondContact CE1-CD1 3.43Å; H203-I252 VanDerWaalsContact NE2-CD1 3.32Å; H203-I252 WeakPolarHBondContact NE2-CD1 3.21Å; Q246-I252 CarbonylContact O-C 3.58Å; Q246-I252 WeakPolarHBondContact O-CA 3.42Å
253	I	97.9	Very high	90.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.5	170.1	-62.5	154.6	0	0	0	108.9	L123 K126 L127 L130 L132 I155 A157 Q246 F248 V255	L123-I253 HydrophobicContact CD1-CD1 3.81Å; L123-I253 HydrophobicContact CD1-CG1 4.11Å; K126-I253 HydrophobicContact CB-CD1 4.01Å; K126-I253 HydrophobicContact CG-CD1 3.67Å; L127-I253 HydrophobicContact CD2-CD1 3.9Å; L127-I253 HydrophobicContact CD2-CG1 4.4Å; L127-I253 HydrophobicContact CD2-CG2 4.38Å; L127-I253 HydrophobicContact CG-CD1 4.2Å; L130-I253 HydrophobicContact CD1-CB 4.19Å; L130-I253 HydrophobicContact CD1-CD1 4.03Å; L130-I253 HydrophobicContact CD1-CG2 3.91Å; L132-I253 HydrophobicContact CD1-CG2 4.47Å; I155-I253 HydrophobicContact CB-CG1 4.46Å; I155-I253 CarbonylContact O-C 3.45Å; I155-I253 VanDerWaalsContact O-CA 3.28Å; I155-I253 WeakPolarHBondContact O-CA 3.31Å; A157-I253 HydrophobicContact CB-CG2 3.93Å; Q246-I253 HydrophobicContact CB-CB 4.2Å; Q246-I253 WeakPolarHBondContact CB-O 3.4Å; Q246-I253 PolarHBondContact N-O 3.21Å; Q246-I253 PolarHBondContact O-N 3.18Å; F248-I253 HydrophobicContact CD1-CD1 3.87Å; F248-I253 HydrophobicContact CD1-CG1 3.74Å; F248-I253 HydrophobicContact CE1-CD1 4.42Å; F248-I253 HydrophobicContact CE1-CG1 3.89Å; F248-I253 HydrophobicContact CG-CD1 4.45Å; I253-V255 HydrophobicContact CG2-CG2 4.29Å
254	H	97.6	Very high	89.6	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.3	164.3	-63.3	-69.4	0	0	0	108	T154 I155 F156 A157 V202 M207 I241 K243 S244 D245	T154-H254 VanDerWaalsContact CG2-CD2 3.46Å; T154-H254 WeakPolarHBondContact CG2-CD2 3.34Å; I155-H254 PolarHBondContact O-N 3.24Å; F156-H254 CarbonylContact C-O 3.07Å; F156-H254 VanDerWaalsContact CA-O 3.28Å; F156-H254 WeakPolarHBondContact CA-O 3.21Å; F156-H254 HydrophobicContact CD1-CB 3.63Å; F156-H254 HydrophobicContact CE1-CB 3.79Å; F156-H254 AromaticContact CE1-CD2 3.73Å; F156-H254 AromaticContact CE1-CG 3.94Å; F156-H254 HydrophobicContact CG-CB 4.4Å; F156-H254 AromaticContact CZ-CD2 3.89Å; A157-H254 PolarHBondContact N-O 3.41Å; V202-H254 PolarHBondContact O-NE2 3.26Å; M207-H254 WeakPolarHBondContact CE-NE2 3.28Å; I241-H254 HydrophobicContact CD1-CB 4.37Å; I241-H254 HydrophobicContact CG2-CB 4.01Å; K243-H254 CarbonylContact O-C 3.53Å; S244-H254 WeakPolarHBondContact CA-ND1 3.46Å; D245-H254 PolarHBondContact N-CE1 3.11Å; D245-H254 VanDerWaalsContact N-CE1 3.31Å; D245-H254 PolarHBondContact N-ND1 3.09Å; D245-H254 IonicContact OD1-CE1 2.59Å; D245-H254 PolarHBondContact OD1-CE1 2.78Å
255	V	97.3	Very high	89.2	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.024	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	123.6	178	-172	0	0	0	0	108.8	L130 L132 A157 T159 I241 R242 K243 I253	L130-V255 HydrophobicContact CD1-CG2 4.16Å; L132-V255 HydrophobicContact CD1-CG1 4.25Å; L132-V255 HydrophobicContact CD1-CG2 3.94Å; L132-V255 HydrophobicContact CD2-CG1 3.87Å; A157-V255 CarbonylContact O-C 3.54Å; A157-V255 WeakPolarHBondContact O-CA 3.46Å; T159-V255 HydrophobicContact CG2-CG1 3.77Å; I241-V255 CarbonylContact C-O 3.56Å; R242-V255 PolarHBondContact N-O 3.17Å; K243-V255 HydrophobicContact CB-CB 3.96Å; K243-V255 HydrophobicContact CB-CG2 3.9Å; K243-V255 PolarHBondContact N-O 3.23Å; K243-V255 PolarHBondContact O-N 2.71Å; I253-V255 HydrophobicContact CG2-CG2 4.29Å
256	V	94.9	Very high	88.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.5	-176.5	-66.2	0	0	0	0	112	F156 A157 P158 T159 V239 R240 I241 Q258 L260	F156-V256 HydrophobicContact CB-CG1 4.28Å; F156-V256 HydrophobicContact CD1-CG1 4Å; A157-V256 PolarHBondContact O-N 3.42Å; P158-V256 WeakPolarHBondContact CA-O 3.47Å; P158-V256 HydrophobicContact CB-CG2 4.31Å; T159-V256 PolarHBondContact N-O 3.32Å; T159-V256 VanDerWaalsContact N-O 3.12Å; V239-V256 HydrophobicContact CG1-CB 3.8Å; V239-V256 HydrophobicContact CG1-CG2 4.46Å; R240-V256 WeakPolarHBondContact O-CA 3.36Å; I241-V256 HydrophobicContact CG1-CG1 4.21Å; V256-Q258 VanDerWaalsContact C-N 3.28Å; V256-Q258 VanDerWaalsContact CG2-O 3.28Å; V256-Q258 WeakPolarHBondContact CG2-O 2.99Å; V256-Q258 PolarHBondContact O-N 3.12Å; V256-L260 HydrophobicContact CG2-CG 4.43Å
257	D	90.3	Very high	88.6	Confident	54 Å²	54	27.9 Å²	27.9	29%	0.289	16%	0.155	S	C	.	.	S	Bend	trans	-76.2	-12.4	-175.2	-74.8	-31.8	0	0	0	113.9	A162 R240 R242	A162-D257 VanDerWaalsContact CB-O 3.3Å; A162-D257 WeakPolarHBondContact CB-O 3.37Å; R240-D257 PolarHBondContact O-N 3.45Å; R240-D257 VanDerWaalsContact O-N 3.09Å; R242-D257 VanDerWaalsContact CB-OD1 3.3Å; R242-D257 WeakPolarHBondContact CB-OD1 3.19Å; R242-D257 VanDerWaalsContact CD-OD1 3.27Å; R242-D257 WeakPolarHBondContact CD-OD1 3.46Å; R242-D257 WeakPolarHBondContact CG-OD1 3.23Å
258	Q	86.9	Confident	88.4	Confident	111 Å²	111	28.4 Å²	28.4	52%	0.519	15%	0.154	S	C	.	.	S	Bend	trans	-144.7	163.3	-179.7	-59	-176.5	24.5	0	0	111.4	V239 V256 L260	V239-Q258 HydrophobicContact CB-CB 4.46Å; V239-Q258 HydrophobicContact CG1-CB 3.68Å; V239-Q258 HydrophobicContact CG1-CG 4.32Å; V239-Q258 VanDerWaalsContact CG1-N 3.27Å; V239-Q258 HydrophobicContact CG2-CB 3.91Å; V256-Q258 VanDerWaalsContact C-N 3.28Å; V256-Q258 VanDerWaalsContact CG2-O 3.28Å; V256-Q258 WeakPolarHBondContact CG2-O 2.99Å; V256-Q258 PolarHBondContact O-N 3.12Å; Q258-L260 PolarHBondContact O-N 3.15Å
259	M	86.3	Confident	88.2	Confident	11 Å²	11	31.7 Å²	31.7	5%	0.054	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-70.1	122.9	172.8	-173.2	59.9	-176.6	0	0	111	P158 L163 A170 I174 I192 Q261	P158-M259 HydrophobicContact CB-SD 4.36Å; P158-M259 HydrophobicContact CG-SD 3.79Å; L163-M259 HydrophobicContact CD2-SD 4.11Å; A170-M259 HydrophobicContact CB-CE 4.18Å; A170-M259 HydrophobicContact CB-CG 4.14Å; I174-M259 HydrophobicContact CD1-CE 3.42Å; I174-M259 VanDerWaalsContact CD1-CE 3.42Å; I174-M259 HydrophobicContact CD1-SD 4.06Å; I192-M259 HydrophobicContact CG2-CE 3.1Å; M259-Q261 PolarHBondContact O-N 2.9Å; M259-Q261 PolarHBondContact O-NE2 3.29Å
260	L	87.3	Confident	88	Confident	6 Å²	6	30.8 Å²	30.8	3%	0.031	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-66.3	118.2	179.6	-66.5	176	0	0	0	111	F156 N195 L222 V236 N237 V239 V256 Q258	F156-L260 HydrophobicContact CB-CD1 3.32Å; F156-L260 HydrophobicContact CB-CG 4.5Å; F156-L260 HydrophobicContact CG-CD1 3.94Å; N195-L260 PolarHBondContact ND2-O 3.25Å; L222-L260 HydrophobicContact CD1-CD1 4.13Å; L222-L260 HydrophobicContact CD2-CB 4.49Å; L222-L260 HydrophobicContact CD2-CD1 3.82Å; V236-L260 HydrophobicContact CB-CD2 4.47Å; V236-L260 HydrophobicContact CG1-CD2 4.28Å; V236-L260 VanDerWaalsContact O-CD2 3.29Å; V236-L260 WeakPolarHBondContact O-CD2 3.28Å; N237-L260 HydrophobicContact CB-CD2 4.23Å; V239-L260 HydrophobicContact CB-CD2 3.84Å; V239-L260 HydrophobicContact CG2-CD2 3.88Å; V256-L260 HydrophobicContact CG2-CG 4.43Å; Q258-L260 PolarHBondContact O-N 3.15Å
261	Q	75.4	Confident	87.9	Confident	68 Å²	68	29.7 Å²	29.7	32%	0.318	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-79.8	144.1	174.9	-60.4	-56.4	-54	0	0	110.9	S168 N195 N237 M259 A263	S168-Q261 PolarHBondContact OG-NE2 3.2Å; S168-Q261 VanDerWaalsContact OG-NE2 3.17Å; N195-Q261 PolarHBondContact ND2-O 2.9Å; N237-Q261 PolarHBondContact ND2-O 2.86Å; M259-Q261 PolarHBondContact O-N 2.9Å; M259-Q261 PolarHBondContact O-NE2 3.29Å; Q261-A263 PolarHBondContact O-N 3.17Å
262	P	70	Confident	87.8	Confident	61 Å²	61	32.3 Å²	32.3	40%	0.396	18%	0.175	S	C	.	.			trans	-70.2	114.6	176.7	24.7	-31.3	0	0	0	111.9	N195 A264	N195-P262 WeakPolarHBondContact OD1-CA 3.18Å; P262-A264 PolarHBondContact O-N 2.73Å
263	A	70.6	Confident	87.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-85.6	96.3	167.5	0	0	0	0	0	108.9	Q261 V367 L369	Q261-A263 PolarHBondContact O-N 3.17Å; A263-V367 HydrophobicContact CB-CB 4.38Å; A263-V367 HydrophobicContact CB-CG1 3.77Å; A263-L369 WeakPolarHBondContact O-CD2 3.17Å
264	A	71.2	Confident	87.1	Confident	51 Å²	51	38 Å²	38	42%	0.421	21%	0.21	S	C	.	.			trans	-115.1	-14.8	-179.6	0	0	0	0	0	113.8	P262	P262-A264 PolarHBondContact O-N 2.73Å
265	K	83.6	Confident	86.9	Confident	105 Å²	105	43.2 Å²	43.2	46%	0.457	24%	0.244	S	C	.	.	S	Bend	trans	-117	148.7	-173.7	-73	-177.3	179.9	-179.7	0	110	D269 S273 A368 L369	K265-D269 HydrophobicContact CB-CB 3.95Å; K265-D269 HydrophobicContact CD-CB 4.35Å; K265-D269 HydrophobicContact CG-CB 4.24Å; K265-S273 PolarHBondContact NZ-OG 3.29Å; K265-S273 VanDerWaalsContact NZ-OG 3.13Å; K265-A368 CarbonylContact O-C 3.3Å; K265-A368 VanDerWaalsContact O-CA 3.32Å; K265-A368 WeakPolarHBondContact O-CA 3.44Å; K265-A368 WeakPolarHBondContact O-CB 3.37Å; K265-L369 PolarHBondContact O-N 3.41Å
266	S	88.3	Confident	86.6	Confident	11 Å²	11	49.6 Å²	49.6	8%	0.077	27%	0.272	C	S	.	.			trans	-64.5	162.6	165	70	0	0	0	0	110.1	W268 D269 L270 N370	S266-W268 PolarHBondContact O-N 3.29Å; S266-D269 PolarHBondContact O-N 2.74Å; S266-D269 VanDerWaalsContact O-N 3.13Å; S266-D269 PolarHBondContact OG-N 3.23Å; S266-D269 VanDerWaalsContact OG-N 3.11Å; S266-D269 PolarHBondContact OG-OD2 3.44Å; S266-L270 WeakPolarHBondContact O-CB 3.38Å; S266-L270 PolarHBondContact O-N 3.35Å; S266-N370 WeakPolarHBondContact CA-OD1 3.26Å
267	I	89.7	Confident	86.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.8	-41.7	174.1	-69.3	169.3	0	0	0	109.8	D269 L270 L271 L292 L299 V301 A368 N370 V373	I267-D269 PolarHBondContact O-N 3.18Å; I267-L270 PolarHBondContact O-N 3.35Å; I267-L271 HydrophobicContact CG2-CD1 3.67Å; I267-L271 HydrophobicContact CG2-CG 4.26Å; I267-L271 WeakPolarHBondContact O-CB 3.37Å; I267-L271 VanDerWaalsContact O-CG 3.28Å; I267-L271 WeakPolarHBondContact O-CG 3.33Å; I267-L271 PolarHBondContact O-N 2.69Å; I267-L292 HydrophobicContact CB-CD2 4.4Å; I267-L292 HydrophobicContact CG2-CD2 3.83Å; I267-L299 HydrophobicContact CD1-CB 3.72Å; I267-V301 HydrophobicContact CD1-CG2 4.21Å; I267-V301 HydrophobicContact CG2-CB 4.28Å; I267-V301 HydrophobicContact CG2-CG2 3.98Å; I267-A368 HydrophobicContact CB-CB 4.28Å; I267-A368 HydrophobicContact CG1-CB 3.5Å; I267-A368 VanDerWaalsContact CG1-CB 3.5Å; I267-N370 WeakPolarHBondContact CD1-O 3.17Å; I267-N370 WeakPolarHBondContact CG1-OD1 3.15Å; I267-N370 PolarHBondContact N-OD1 3Å; I267-V373 HydrophobicContact CB-CG2 4.45Å; I267-V373 HydrophobicContact CG1-CG2 4.32Å; I267-V373 HydrophobicContact CG2-CG2 3.64Å
268	W	92.7	Very high	86.7	Confident	37 Å²	37	54.2 Å²	54.2	14%	0.14	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-48.2	176	178.2	-97.7	0	0	0	112.6	S266 L270 L271 S272 V281 I284 K289 L292 Q293	S266-W268 PolarHBondContact O-N 3.29Å; W268-L270 VanDerWaalsContact C-N 3.33Å; W268-L270 PolarHBondContact O-N 2.7Å; W268-L271 PolarHBondContact O-N 3.23Å; W268-S272 VanDerWaalsContact O-CB 3.24Å; W268-S272 WeakPolarHBondContact O-CB 3.34Å; W268-S272 PolarHBondContact O-N 3.22Å; W268-S272 PolarHBondContact O-OG 2.87Å; W268-V281 HydrophobicContact CH2-CG1 3.72Å; W268-V281 HydrophobicContact CZ2-CG1 4.21Å; W268-V281 HydrophobicContact CZ3-CG1 4.18Å; W268-I284 HydrophobicContact CZ3-CB 3.91Å; W268-I284 HydrophobicContact CZ3-CG1 4.22Å; W268-I284 HydrophobicContact CZ3-CG2 3.81Å; W268-K289 HydrophobicContact CD2-CD 4.44Å; W268-K289 HydrophobicContact CD2-CG 3.83Å; W268-K289 HydrophobicContact CE3-CB 4.1Å; W268-K289 HydrophobicContact CE3-CG 3.82Å; W268-K289 HydrophobicContact CH2-CB 4.31Å; W268-K289 HydrophobicContact CH2-CD 3.72Å; W268-K289 HydrophobicContact CH2-CG 3.94Å; W268-K289 HydrophobicContact CZ2-CD 3.65Å; W268-K289 HydrophobicContact CZ2-CG 3.96Å; W268-K289 HydrophobicContact CZ3-CB 3.95Å; W268-K289 HydrophobicContact CZ3-CD 4.17Å; W268-K289 HydrophobicContact CZ3-CG 3.87Å; W268-L292 HydrophobicContact CB-CB 4Å; W268-L292 HydrophobicContact CE3-CD1 4.16Å; W268-L292 PolarHBondContact N-O 3.34Å; W268-L292 VanDerWaalsContact N-O 3.17Å; W268-Q293 HydrophobicContact CB-CG 3.55Å; W268-Q293 HydrophobicContact CG-CG 3.7Å
269	D	91.9	Very high	86.8	Confident	69 Å²	69	50.8 Å²	50.8	37%	0.369	27%	0.268	S	S	.	.	H	α-helix	trans	-68.9	-34.9	-178.6	-58.9	-42.5	0	0	0	111.5	K265 S266 I267 S272 S273	K265-D269 HydrophobicContact CB-CB 3.95Å; K265-D269 HydrophobicContact CD-CB 4.35Å; K265-D269 HydrophobicContact CG-CB 4.24Å; S266-D269 PolarHBondContact O-N 2.74Å; S266-D269 VanDerWaalsContact O-N 3.13Å; S266-D269 PolarHBondContact OG-N 3.23Å; S266-D269 VanDerWaalsContact OG-N 3.11Å; S266-D269 PolarHBondContact OG-OD2 3.44Å; I267-D269 PolarHBondContact O-N 3.18Å; D269-S272 WeakPolarHBondContact CA-OG 3.4Å; D269-S273 VanDerWaalsContact O-CB 3.24Å; D269-S273 WeakPolarHBondContact O-CB 3.18Å; D269-S273 PolarHBondContact O-N 3.45Å; D269-S273 VanDerWaalsContact O-N 3.09Å; D269-S273 PolarHBondContact O-OG 2.99Å
270	L	89.3	Confident	87	Confident	34 Å²	34	50.4 Å²	50.4	18%	0.178	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-48.2	174.1	-171	159.6	0	0	0	110.8	S266 I267 W268 A366 A368 V373	S266-L270 WeakPolarHBondContact O-CB 3.38Å; S266-L270 PolarHBondContact O-N 3.35Å; I267-L270 PolarHBondContact O-N 3.35Å; W268-L270 VanDerWaalsContact C-N 3.33Å; W268-L270 PolarHBondContact O-N 2.7Å; L270-A366 HydrophobicContact CD1-CB 4.2Å; L270-A366 HydrophobicContact CD2-CB 4.41Å; L270-A368 HydrophobicContact CD1-CB 4.2Å; L270-V373 HydrophobicContact CD2-CB 4.43Å; L270-V373 HydrophobicContact CD2-CG2 4.24Å
271	L	91.8	Very high	87.2	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-71	-47.7	-179.6	-69.2	170.4	0	0	0	112.4	I267 W268 S273 N274 F277 F280 V281 L292 V301 A303 V373	I267-L271 HydrophobicContact CG2-CD1 3.67Å; I267-L271 HydrophobicContact CG2-CG 4.26Å; I267-L271 WeakPolarHBondContact O-CB 3.37Å; I267-L271 VanDerWaalsContact O-CG 3.28Å; I267-L271 WeakPolarHBondContact O-CG 3.33Å; I267-L271 PolarHBondContact O-N 2.69Å; W268-L271 PolarHBondContact O-N 3.23Å; L271-S273 PolarHBondContact O-N 3.18Å; L271-N274 PolarHBondContact O-N 2.93Å; L271-F277 HydrophobicContact CD2-CB 4.35Å; L271-F277 HydrophobicContact CD2-CD1 4.29Å; L271-F277 HydrophobicContact CD2-CD2 3.64Å; L271-F277 HydrophobicContact CD2-CE2 3.94Å; L271-F277 HydrophobicContact CD2-CG 3.85Å; L271-F277 HydrophobicContact CD2-CZ 4.38Å; L271-F280 HydrophobicContact CD1-CD1 4.25Å; L271-F280 HydrophobicContact CD1-CE1 3.77Å; L271-F280 HydrophobicContact CD2-CD1 4.49Å; L271-F280 HydrophobicContact CD2-CE1 4.49Å; L271-V281 HydrophobicContact CB-CG2 3.89Å; L271-L292 HydrophobicContact CD1-CD1 4.49Å; L271-V301 HydrophobicContact CD1-CG1 4.21Å; L271-A303 HydrophobicContact CD2-CB 3.71Å; L271-V373 HydrophobicContact CD2-CG1 3.79Å; L271-V373 HydrophobicContact CD2-CG2 4.29Å; L271-V373 HydrophobicContact CG-CG2 4.31Å
272	S	93.6	Very high	87.9	Confident	55 Å²	55	51.9 Å²	51.9	39%	0.385	28%	0.283	S	S	.	.	H	α-helix	trans	-70.9	-28	-175	60.6	0	0	0	0	113.9	W268 D269 N274	W268-S272 VanDerWaalsContact O-CB 3.24Å; W268-S272 WeakPolarHBondContact O-CB 3.34Å; W268-S272 PolarHBondContact O-N 3.22Å; W268-S272 PolarHBondContact O-OG 2.87Å; D269-S272 WeakPolarHBondContact CA-OG 3.4Å; S272-N274 VanDerWaalsContact C-N 3.31Å
273	S	90.9	Very high	88.7	Confident	68 Å²	68	49.5 Å²	49.5	48%	0.476	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-6.9	175.1	64.4	0	0	0	0	114	K265 D269 L271	K265-S273 PolarHBondContact NZ-OG 3.29Å; K265-S273 VanDerWaalsContact NZ-OG 3.13Å; D269-S273 VanDerWaalsContact O-CB 3.24Å; D269-S273 WeakPolarHBondContact O-CB 3.18Å; D269-S273 PolarHBondContact O-N 3.45Å; D269-S273 VanDerWaalsContact O-N 3.09Å; D269-S273 PolarHBondContact O-OG 2.99Å; L271-S273 PolarHBondContact O-N 3.18Å
274	N	90.4	Very high	89.5	Confident	52 Å²	52	50.3 Å²	50.3	28%	0.278	27%	0.271	S	S	.	.			trans	-105.8	117.5	-178.4	-175.6	-21	0	0	0	111.1	L271 S272 K276 F277	L271-N274 PolarHBondContact O-N 2.93Å; S272-N274 VanDerWaalsContact C-N 3.31Å; N274-K276 PolarHBondContact O-N 2.78Å; N274-K276 WeakPolarHBondContact OD1-CB 3.48Å; N274-K276 WeakPolarHBondContact OD1-CG 3.5Å; N274-K276 PolarHBondContact OD1-N 2.82Å; N274-F277 HydrophobicContact CB-CD2 3.82Å; N274-F277 HydrophobicContact CB-CE2 4.16Å; N274-F277 PolarHBondContact O-N 2.9Å; N274-F277 VanDerWaalsContact O-N 3.14Å
275	P	92.1	Very high	90.2	Very high	110 Å²	110	51.2 Å²	51.2	71%	0.714	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-63.2	-17.6	-175.7	26	-35.2	0	0	0	113.8	F277	P275-F277 PolarHBondContact O-N 3.35Å
276	K	92	Very high	90.4	Very high	137 Å²	137	51.7 Å²	51.7	60%	0.596	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-68.2	-14.3	177.1	-64.3	-174.3	177.3	-173.4	0	113.9	N274 T305 D306	N274-K276 PolarHBondContact O-N 2.78Å; N274-K276 WeakPolarHBondContact OD1-CB 3.48Å; N274-K276 WeakPolarHBondContact OD1-CG 3.5Å; N274-K276 PolarHBondContact OD1-N 2.82Å; K276-T305 CarbonylContact O-C 3.59Å; K276-T305 WeakPolarHBondContact O-CA 3.48Å; K276-D306 PolarHBondContact O-N 3.11Å
277	F	92	Very high	90.3	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.026	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-115.4	19.5	-175.4	-57.3	-59.2	0	0	0	113.3	L271 N274 P275 Y279 F280 V281 A303 F304 T305 T375	L271-F277 HydrophobicContact CD2-CB 4.35Å; L271-F277 HydrophobicContact CD2-CD1 4.29Å; L271-F277 HydrophobicContact CD2-CD2 3.64Å; L271-F277 HydrophobicContact CD2-CE2 3.94Å; L271-F277 HydrophobicContact CD2-CG 3.85Å; L271-F277 HydrophobicContact CD2-CZ 4.38Å; N274-F277 HydrophobicContact CB-CD2 3.82Å; N274-F277 HydrophobicContact CB-CE2 4.16Å; N274-F277 PolarHBondContact O-N 2.9Å; N274-F277 VanDerWaalsContact O-N 3.14Å; P275-F277 PolarHBondContact O-N 3.35Å; F277-Y279 PolarHBondContact O-N 2.85Å; F277-F280 HydrophobicContact CB-CB 4.24Å; F277-F280 WeakPolarHBondContact O-CB 3.49Å; F277-F280 PolarHBondContact O-N 3.32Å; F277-V281 HydrophobicContact CB-CG2 4.19Å; F277-V281 WeakPolarHBondContact O-CB 3.34Å; F277-V281 VanDerWaalsContact O-CG2 3.26Å; F277-V281 WeakPolarHBondContact O-CG2 3.4Å; F277-V281 PolarHBondContact O-N 3.26Å; F277-A303 HydrophobicContact CD1-CB 4Å; F277-A303 HydrophobicContact CE1-CB 3.87Å; F277-F304 WeakPolarHBondContact CD1-O 3.31Å; F277-T305 HydrophobicContact CE1-CG2 4.33Å; F277-T375 HydrophobicContact CE1-CG2 3.8Å; F277-T375 HydrophobicContact CZ-CG2 3.99Å; F277-T375 WeakPolarHBondContact CZ-OG1 3.33Å
278	R	94	Very high	90.1	Very high	146 Å²	146	56.8 Å²	56.8	55%	0.551	30%	0.295	S	S	*	.	H	α-helix	trans	-58.9	-45.2	-174.7	-176.6	-174.7	63.2	106.9	2.1	112.2	S282 D306	R278-S282 WeakPolarHBondContact O-CB 3.32Å; R278-S282 PolarHBondContact O-N 2.84Å; R278-S282 VanDerWaalsContact O-N 3.08Å; R278-D306 WeakPolarHBondContact CB-OD2 3.46Å; R278-D306 PolarHBondContact N-OD1 2.72Å; R278-D306 IonicContact NE-OD2 3.87Å; R278-D306 PolarHBondContact NE-OD2 3.3Å; R278-D306 IonicContact NH2-OD2 3.14Å
279	Y	90.8	Very high	90	Very high	39 Å²	39	57.2 Å²	57.2	15%	0.153	30%	0.298	C	S	.	.	H	α-helix	trans	-65.8	-45	175.7	-73.1	-61.3	0	0	0	111.4	F277 V281 S282 L283 D306 F309 T310	F277-Y279 PolarHBondContact O-N 2.85Å; Y279-V281 PolarHBondContact O-N 3.04Å; Y279-S282 PolarHBondContact O-N 2.92Å; Y279-S282 PolarHBondContact O-OG 3.35Å; Y279-L283 WeakPolarHBondContact O-CD1 3.44Å; Y279-L283 VanDerWaalsContact O-CG 3.28Å; Y279-L283 WeakPolarHBondContact O-CG 3.42Å; Y279-L283 PolarHBondContact O-N 2.81Å; Y279-D306 HydrophobicContact CD2-CB 3.86Å; Y279-D306 WeakPolarHBondContact CD2-OD1 3.2Å; Y279-D306 HydrophobicContact CE2-CB 4.28Å; Y279-D306 PolarHBondContact N-OD1 2.83Å; Y279-F309 AromaticContact CD1-CD1 3.78Å; Y279-F309 HydrophobicContact CD1-CD1 3.78Å; Y279-F309 AromaticContact CD1-CE1 3.81Å; Y279-F309 HydrophobicContact CD1-CE1 3.81Å; Y279-F309 HydrophobicContact CD2-CB 4.03Å; Y279-F309 AromaticContact CD2-CD1 3.54Å; Y279-F309 HydrophobicContact CD2-CD1 3.54Å; Y279-F309 HydrophobicContact CD2-CE1 4.38Å; Y279-F309 HydrophobicContact CD2-CG 4.05Å; Y279-F309 HydrophobicContact CE1-CD1 4.12Å; Y279-F309 HydrophobicContact CE1-CE1 4.06Å; Y279-F309 AromaticContact CE2-CD1 3.92Å; Y279-F309 HydrophobicContact CE2-CD1 3.92Å; Y279-F309 HydrophobicContact CG-CB 4.32Å; Y279-F309 AromaticContact CG-CD1 3.48Å; Y279-F309 HydrophobicContact CG-CD1 3.48Å; Y279-F309 VanDerWaalsContact CG-CD1 3.48Å; Y279-F309 AromaticContact CG-CE1 3.99Å; Y279-F309 HydrophobicContact CG-CE1 3.99Å; Y279-F309 AromaticContact CG-CG 3.96Å; Y279-F309 HydrophobicContact CG-CG 3.96Å; Y279-T310 HydrophobicContact CE2-CG2 3.97Å
280	F	90.2	Very high	90	Very high	3 Å²	3	60.1 Å²	60.1	1%	0.013	31%	0.309	C	S	.	.	H	α-helix	trans	-56	-52.9	178.4	-176.5	-92.2	0	0	0	112	L271 F277 S282 L283 I284 V301 A303 F304 L335	L271-F280 HydrophobicContact CD1-CD1 4.25Å; L271-F280 HydrophobicContact CD1-CE1 3.77Å; L271-F280 HydrophobicContact CD2-CD1 4.49Å; L271-F280 HydrophobicContact CD2-CE1 4.49Å; F277-F280 HydrophobicContact CB-CB 4.24Å; F277-F280 WeakPolarHBondContact O-CB 3.49Å; F277-F280 PolarHBondContact O-N 3.32Å; F280-S282 VanDerWaalsContact C-N 3.28Å; F280-S282 PolarHBondContact O-N 2.82Å; F280-L283 PolarHBondContact O-N 2.99Å; F280-L283 VanDerWaalsContact O-N 3.09Å; F280-I284 HydrophobicContact CD1-CD1 4.37Å; F280-I284 HydrophobicContact CE1-CD1 3.93Å; F280-I284 HydrophobicContact CE1-CG1 4.44Å; F280-I284 HydrophobicContact CZ-CD1 4.27Å; F280-I284 WeakPolarHBondContact O-CG1 3.35Å; F280-V301 HydrophobicContact CE1-CG1 4.36Å; F280-V301 HydrophobicContact CZ-CG1 4.1Å; F280-A303 HydrophobicContact CD1-CB 4.12Å; F280-A303 HydrophobicContact CD2-CB 4.2Å; F280-A303 HydrophobicContact CE1-CB 3.9Å; F280-A303 HydrophobicContact CE2-CB 4Å; F280-A303 HydrophobicContact CG-CB 4.23Å; F280-A303 HydrophobicContact CZ-CB 3.79Å; F280-F304 HydrophobicContact CB-CD2 4.32Å; F280-F304 HydrophobicContact CB-CE2 4.02Å; F280-F304 HydrophobicContact CB-CZ 4.27Å; F280-F304 AromaticContact CD2-CD1 3.63Å; F280-F304 HydrophobicContact CD2-CD1 3.63Å; F280-F304 HydrophobicContact CD2-CD2 4.29Å; F280-F304 AromaticContact CD2-CE1 3.55Å; F280-F304 HydrophobicContact CD2-CE1 3.55Å; F280-F304 HydrophobicContact CD2-CE2 4.21Å; F280-F304 HydrophobicContact CD2-CG 4.01Å; F280-F304 AromaticContact CD2-CZ 3.86Å; F280-F304 HydrophobicContact CD2-CZ 3.86Å; F280-F304 HydrophobicContact CE2-CD1 4.11Å; F280-F304 HydrophobicContact CE2-CE1 4.14Å; F280-L335 HydrophobicContact CE1-CD2 4.3Å; F280-L335 HydrophobicContact CE2-CD2 4.33Å; F280-L335 HydrophobicContact CZ-CD1 4.01Å; F280-L335 HydrophobicContact CZ-CD2 3.48Å; F280-L335 VanDerWaalsContact CZ-CD2 3.48Å; F280-L335 HydrophobicContact CZ-CG 4.11Å
281	V	91.3	Very high	89.9	Confident	27 Å²	27	61.7 Å²	61.7	16%	0.164	32%	0.315	C	S	.	.	H	α-helix	trans	-59.9	-38.5	178.7	172	0	0	0	0	111.3	W268 L271 F277 Y279 L283 I284	W268-V281 HydrophobicContact CH2-CG1 3.72Å; W268-V281 HydrophobicContact CZ2-CG1 4.21Å; W268-V281 HydrophobicContact CZ3-CG1 4.18Å; L271-V281 HydrophobicContact CB-CG2 3.89Å; F277-V281 HydrophobicContact CB-CG2 4.19Å; F277-V281 WeakPolarHBondContact O-CB 3.34Å; F277-V281 VanDerWaalsContact O-CG2 3.26Å; F277-V281 WeakPolarHBondContact O-CG2 3.4Å; F277-V281 PolarHBondContact O-N 3.26Å; Y279-V281 PolarHBondContact O-N 3.04Å; V281-L283 PolarHBondContact O-N 2.82Å; V281-I284 PolarHBondContact O-N 2.88Å
282	S	90.1	Very high	89.8	Confident	78 Å²	78	61.7 Å²	61.7	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-65.3	-18	178.7	76.4	0	0	0	0	114.6	R278 Y279 F280	R278-S282 WeakPolarHBondContact O-CB 3.32Å; R278-S282 PolarHBondContact O-N 2.84Å; R278-S282 VanDerWaalsContact O-N 3.08Å; Y279-S282 PolarHBondContact O-N 2.92Å; Y279-S282 PolarHBondContact O-OG 3.35Å; F280-S282 VanDerWaalsContact C-N 3.28Å; F280-S282 PolarHBondContact O-N 2.82Å
283	L	87.4	Confident	89.7	Confident	10 Å²	10	63.1 Å²	63.1	5%	0.052	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-4	-177.8	-62.5	163.5	0	0	0	112.9	Y279 F280 V281 F304 F309 I320 C331	Y279-L283 WeakPolarHBondContact O-CD1 3.44Å; Y279-L283 VanDerWaalsContact O-CG 3.28Å; Y279-L283 WeakPolarHBondContact O-CG 3.42Å; Y279-L283 PolarHBondContact O-N 2.81Å; F280-L283 PolarHBondContact O-N 2.99Å; F280-L283 VanDerWaalsContact O-N 3.09Å; V281-L283 PolarHBondContact O-N 2.82Å; L283-F304 HydrophobicContact CD1-CE2 4.46Å; L283-F304 HydrophobicContact CD1-CZ 3.73Å; L283-F309 HydrophobicContact CD1-CE2 4.33Å; L283-I320 HydrophobicContact CD1-CG2 3.57Å; L283-I320 HydrophobicContact CD2-CG2 3.69Å; L283-I320 VanDerWaalsContact CD2-O 3.25Å; L283-I320 WeakPolarHBondContact CD2-O 3.32Å; L283-I320 HydrophobicContact CG-CG2 4.3Å; L283-C331 HydrophobicContact CB-CB 4.16Å; L283-C331 VanDerWaalsContact CB-SG 3.54Å
284	I	86.7	Confident	89.3	Confident	17 Å²	17	61.3 Å²	61.3	9%	0.087	30%	0.303	C	S	.	.			trans	-78.4	124.9	177.3	-55.5	-56.4	0	0	0	109.4	W268 F280 V281 T288 K289 L292 C331 L335	W268-I284 HydrophobicContact CZ3-CB 3.91Å; W268-I284 HydrophobicContact CZ3-CG1 4.22Å; W268-I284 HydrophobicContact CZ3-CG2 3.81Å; F280-I284 HydrophobicContact CD1-CD1 4.37Å; F280-I284 HydrophobicContact CE1-CD1 3.93Å; F280-I284 HydrophobicContact CE1-CG1 4.44Å; F280-I284 HydrophobicContact CZ-CD1 4.27Å; F280-I284 WeakPolarHBondContact O-CG1 3.35Å; V281-I284 PolarHBondContact O-N 2.88Å; I284-T288 HydrophobicContact CG2-CG2 3.88Å; I284-K289 HydrophobicContact CG2-CB 4.05Å; I284-L292 HydrophobicContact CG2-CD1 4.14Å; I284-C331 HydrophobicContact CD1-CB 4.18Å; I284-L335 HydrophobicContact CD1-CD1 3.19Å
285	N	85.6	Confident	88.6	Confident	71 Å²	71	63.9 Å²	63.9	38%	0.38	32%	0.322	S	S	.	.			trans	-78.6	163.4	173.5	71.6	8.4	0	0	0	111.6	E287 T288 K289	N285-E287 VanDerWaalsContact C-N 3.3Å; N285-E287 PolarHBondContact O-N 3.03Å; N285-T288 PolarHBondContact O-N 2.83Å; N285-T288 VanDerWaalsContact O-N 3.14Å; N285-T288 WeakPolarHBondContact OD1-CB 3.36Å; N285-T288 PolarHBondContact OD1-N 3.35Å; N285-T288 PolarHBondContact OD1-OG1 2.83Å; N285-K289 WeakPolarHBondContact O-CB 3.42Å; N285-K289 PolarHBondContact O-N 2.81Å
286	E	88	Confident	87.5	Confident	115 Å²	115	64.3 Å²	64.3	54%	0.537	32%	0.323	S	S	.	.	H	α-helix	trans	-60.5	-35.1	-176.4	-70.9	-61	133.3	0	0	113.5	K289 Q290	E286-K289 PolarHBondContact O-N 3.25Å; E286-K289 IonicContact OE1-NZ 3.39Å; E286-K289 PolarHBondContact OE1-NZ 3.14Å; E286-K289 VanDerWaalsContact OE1-NZ 3.15Å; E286-K289 IonicContact OE2-NZ 3.79Å; E286-K289 PolarHBondContact OE2-NZ 3.44Å; E286-Q290 WeakPolarHBondContact O-CG 3.47Å; E286-Q290 PolarHBondContact O-N 3.05Å
287	E	86.6	Confident	86.6	Confident	114 Å²	114	61.7 Å²	61.7	53%	0.533	31%	0.313	S	S	.	.	H	α-helix	trans	-62.8	-45.4	175.8	-170.5	-161.3	148.4	0	0	111.6	N285 Q290 K291	N285-E287 VanDerWaalsContact C-N 3.3Å; N285-E287 PolarHBondContact O-N 3.03Å; E287-Q290 PolarHBondContact O-N 3.23Å; E287-K291 PolarHBondContact O-N 2.73Å; E287-K291 IonicContact OE1-NZ 2.82Å; E287-K291 PolarHBondContact OE1-NZ 2.78Å
288	T	85.9	Confident	85.7	Confident	3 Å²	3	63 Å²	63	2%	0.018	32%	0.323	C	S	.	.	H	α-helix	trans	-69.3	-39.4	179.1	-54.4	0	0	0	0	110.3	I284 N285 Q290 K291 L292 S332 L335	I284-T288 HydrophobicContact CG2-CG2 3.88Å; N285-T288 PolarHBondContact O-N 2.83Å; N285-T288 VanDerWaalsContact O-N 3.14Å; N285-T288 WeakPolarHBondContact OD1-CB 3.36Å; N285-T288 PolarHBondContact OD1-N 3.35Å; N285-T288 PolarHBondContact OD1-OG1 2.83Å; T288-Q290 VanDerWaalsContact C-N 3.33Å; T288-Q290 PolarHBondContact O-N 2.96Å; T288-K291 WeakPolarHBondContact O-CB 3.02Å; T288-K291 PolarHBondContact O-N 3.16Å; T288-K291 VanDerWaalsContact O-N 3.13Å; T288-L292 HydrophobicContact CG2-CD1 4.28Å; T288-L292 HydrophobicContact CG2-CG 4.3Å; T288-L292 VanDerWaalsContact O-CG 3.31Å; T288-L292 WeakPolarHBondContact O-CG 3.44Å; T288-L292 PolarHBondContact O-N 2.8Å; T288-S332 VanDerWaalsContact OG1-CB 3.24Å; T288-S332 WeakPolarHBondContact OG1-CB 3.24Å; T288-L335 HydrophobicContact CG2-CD1 3.94Å
289	K	90.6	Very high	85.1	Confident	47 Å²	47	56.3 Å²	56.3	20%	0.204	30%	0.298	C	S	.	.	H	α-helix	trans	-56.9	-44.3	174.3	170.9	178.7	163.4	-153.3	0	112.1	W268 I284 N285 E286 K291 L292 Q293	W268-K289 HydrophobicContact CD2-CD 4.44Å; W268-K289 HydrophobicContact CD2-CG 3.83Å; W268-K289 HydrophobicContact CE3-CB 4.1Å; W268-K289 HydrophobicContact CE3-CG 3.82Å; W268-K289 HydrophobicContact CH2-CB 4.31Å; W268-K289 HydrophobicContact CH2-CD 3.72Å; W268-K289 HydrophobicContact CH2-CG 3.94Å; W268-K289 HydrophobicContact CZ2-CD 3.65Å; W268-K289 HydrophobicContact CZ2-CG 3.96Å; W268-K289 HydrophobicContact CZ3-CB 3.95Å; W268-K289 HydrophobicContact CZ3-CD 4.17Å; W268-K289 HydrophobicContact CZ3-CG 3.87Å; I284-K289 HydrophobicContact CG2-CB 4.05Å; N285-K289 WeakPolarHBondContact O-CB 3.42Å; N285-K289 PolarHBondContact O-N 2.81Å; E286-K289 PolarHBondContact O-N 3.25Å; E286-K289 IonicContact OE1-NZ 3.39Å; E286-K289 PolarHBondContact OE1-NZ 3.14Å; E286-K289 VanDerWaalsContact OE1-NZ 3.15Å; E286-K289 IonicContact OE2-NZ 3.79Å; E286-K289 PolarHBondContact OE2-NZ 3.44Å; K289-K291 VanDerWaalsContact C-N 3.33Å; K289-K291 PolarHBondContact O-N 2.85Å; K289-L292 CarbonylContact O-C 3.57Å; K289-L292 PolarHBondContact O-N 3.36Å; K289-L292 VanDerWaalsContact O-N 3.16Å; K289-Q293 WeakPolarHBondContact O-CG 3.1Å; K289-Q293 PolarHBondContact O-N 2.97Å
290	Q	90.4	Very high	84.6	Confident	129 Å²	129	58.1 Å²	58.1	60%	0.603	31%	0.313	S	S	*	.	H	α-helix	trans	-59.9	-42	175.4	-72.8	174.5	3.2	0	0	112	E286 E287 T288 Q293 S294	E286-Q290 WeakPolarHBondContact O-CG 3.47Å; E286-Q290 PolarHBondContact O-N 3.05Å; E287-Q290 PolarHBondContact O-N 3.23Å; T288-Q290 VanDerWaalsContact C-N 3.33Å; T288-Q290 PolarHBondContact O-N 2.96Å; Q290-Q293 PolarHBondContact O-N 3.09Å; Q290-S294 PolarHBondContact O-N 3.13Å
291	K	86.8	Confident	84.4	Confident	68 Å²	68	58 Å²	58	30%	0.296	31%	0.313	S	S	.	.	H	α-helix	trans	-61.9	-43.2	173.8	-66.3	176.2	-173.4	167.2	0	111.7	E287 T288 K289 Q293 S294 L299 L336	E287-K291 PolarHBondContact O-N 2.73Å; E287-K291 IonicContact OE1-NZ 2.82Å; E287-K291 PolarHBondContact OE1-NZ 2.78Å; T288-K291 WeakPolarHBondContact O-CB 3.02Å; T288-K291 PolarHBondContact O-N 3.16Å; T288-K291 VanDerWaalsContact O-N 3.13Å; K289-K291 VanDerWaalsContact C-N 3.33Å; K289-K291 PolarHBondContact O-N 2.85Å; K291-Q293 PolarHBondContact O-N 2.63Å; K291-S294 PolarHBondContact O-N 2.85Å; K291-L299 HydrophobicContact CB-CD1 4.33Å; K291-L336 HydrophobicContact CD-CD1 3.89Å; K291-L336 HydrophobicContact CD-CD2 4.27Å
292	L	89.9	Confident	84.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-68.9	-16.1	177.9	-64	-178.5	0	0	0	114.2	I267 W268 L271 I284 T288 K289 L299 V301 N370	I267-L292 HydrophobicContact CB-CD2 4.4Å; I267-L292 HydrophobicContact CG2-CD2 3.83Å; W268-L292 HydrophobicContact CB-CB 4Å; W268-L292 HydrophobicContact CE3-CD1 4.16Å; W268-L292 PolarHBondContact N-O 3.34Å; W268-L292 VanDerWaalsContact N-O 3.17Å; L271-L292 HydrophobicContact CD1-CD1 4.49Å; I284-L292 HydrophobicContact CG2-CD1 4.14Å; T288-L292 HydrophobicContact CG2-CD1 4.28Å; T288-L292 HydrophobicContact CG2-CG 4.3Å; T288-L292 VanDerWaalsContact O-CG 3.31Å; T288-L292 WeakPolarHBondContact O-CG 3.44Å; T288-L292 PolarHBondContact O-N 2.8Å; K289-L292 CarbonylContact O-C 3.57Å; K289-L292 PolarHBondContact O-N 3.36Å; K289-L292 VanDerWaalsContact O-N 3.16Å; L292-L299 HydrophobicContact CD2-CD1 3.88Å; L292-V301 HydrophobicContact CD2-CG2 3.59Å; L292-N370 VanDerWaalsContact C-ND2 3.27Å; L292-N370 PolarHBondContact O-ND2 3.2Å
293	Q	91.3	Very high	84	Confident	86 Å²	86	54.1 Å²	54.1	40%	0.402	29%	0.285	S	S	.	.	H	α-helix	trans	-96.9	-19	174	-71	-178.4	-56.4	0	0	113.1	W268 K289 Q290 K291 P295	W268-Q293 HydrophobicContact CB-CG 3.55Å; W268-Q293 HydrophobicContact CG-CG 3.7Å; K289-Q293 WeakPolarHBondContact O-CG 3.1Å; K289-Q293 PolarHBondContact O-N 2.97Å; Q290-Q293 PolarHBondContact O-N 3.09Å; K291-Q293 PolarHBondContact O-N 2.63Å; Q293-P295 WeakPolarHBondContact O-CD 3.27Å
294	S	84	Confident	84.2	Confident	29 Å²	29	54.2 Å²	54.2	20%	0.203	29%	0.285	C	S	.	.			trans	-67.3	122.3	-174.4	-177.1	0	0	0	0	111.3	Q290 K291 T296 E297 N370	Q290-S294 PolarHBondContact O-N 3.13Å; K291-S294 PolarHBondContact O-N 2.85Å; S294-T296 PolarHBondContact O-N 3.34Å; S294-T296 PolarHBondContact OG-N 3.01Å; S294-T296 PolarHBondContact OG-OG1 3.38Å; S294-E297 PolarHBondContact O-N 3.5Å; S294-N370 WeakPolarHBondContact O-CB 3.33Å; S294-N370 PolarHBondContact O-ND2 3.48Å
295	P	75	Confident	84.4	Confident	106 Å²	106	53.8 Å²	53.8	69%	0.688	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-13.8	177.2	30.8	-35.2	0	0	0	113.1	Q293	Q293-P295 WeakPolarHBondContact O-CD 3.27Å
296	T	70.2	Confident	84.8	Confident	120 Å²	120	51.5 Å²	51.5	74%	0.736	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-9.3	179.9	62.4	0	0	0	0	112.9	S294	S294-T296 PolarHBondContact O-N 3.34Å; S294-T296 PolarHBondContact OG-N 3.01Å; S294-T296 PolarHBondContact OG-OG1 3.38Å
297	E	71.3	Confident	85.1	Confident	81 Å²	81	51.4 Å²	51.4	38%	0.379	27%	0.274	S	S	.	.			trans	-91.9	138	-175.7	-70.7	-70.5	172.8	0	0	112.3	S294 L299 N370	S294-E297 PolarHBondContact O-N 3.5Å; E297-L299 HydrophobicContact CB-CD1 4.28Å; E297-L299 HydrophobicContact CB-CD2 4.42Å; E297-L299 HydrophobicContact CB-CG 4.05Å; E297-N370 CarbonylContact O-C 3.5Å; E297-N370 WeakPolarHBondContact O-CA 3.27Å; E297-N370 WeakPolarHBondContact O-CB 3.46Å
298	S	74.1	Confident	85.3	Confident	34 Å²	34	46 Å²	46	24%	0.238	25%	0.249	C	C	.	.			trans	-90.6	53.7	-178.3	-127.8	0	0	0	0	118.2	R225	R225-S298 PolarHBondContact NH2-O 3.49Å; R225-S298 PolarHBondContact NH2-OG 2.9Å
299	L	81.7	Confident	85.6	Confident	6 Å²	6	45.9 Å²	45.9	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	143.9	-159.7	-54.9	176.5	0	0	0	115.8	I267 K291 L292 E297 V301 L336 N370 G371 V372	I267-L299 HydrophobicContact CD1-CB 3.72Å; K291-L299 HydrophobicContact CB-CD1 4.33Å; L292-L299 HydrophobicContact CD2-CD1 3.88Å; E297-L299 HydrophobicContact CB-CD1 4.28Å; E297-L299 HydrophobicContact CB-CD2 4.42Å; E297-L299 HydrophobicContact CB-CG 4.05Å; L299-V301 HydrophobicContact CB-CG2 4.46Å; L299-L336 HydrophobicContact CD1-CD2 4.3Å; L299-L336 HydrophobicContact CD2-CD2 3.99Å; L299-N370 PolarHBondContact N-O 3.13Å; L299-G371 CarbonylContact O-C 3.59Å; L299-G371 WeakPolarHBondContact O-CA 3.4Å; L299-V372 PolarHBondContact O-N 3.04Å
300	T	80	Confident	85.7	Confident	76 Å²	76	46.8 Å²	46.8	47%	0.466	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.3	163.7	-62.4	0	0	0	0	108.5	V372	T300-V372 HydrophobicContact CG2-CG2 4.06Å
301	V	85	Confident	85.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.8	-175.6	164.2	0	0	0	0	110.2	I267 L271 F280 L292 L299 A303 L335 V372 V373 H374	I267-V301 HydrophobicContact CD1-CG2 4.21Å; I267-V301 HydrophobicContact CG2-CB 4.28Å; I267-V301 HydrophobicContact CG2-CG2 3.98Å; L271-V301 HydrophobicContact CD1-CG1 4.21Å; F280-V301 HydrophobicContact CE1-CG1 4.36Å; F280-V301 HydrophobicContact CZ-CG1 4.1Å; L292-V301 HydrophobicContact CD2-CG2 3.59Å; L299-V301 HydrophobicContact CB-CG2 4.46Å; V301-A303 HydrophobicContact CG1-CB 4.3Å; V301-L335 HydrophobicContact CB-CD2 4.07Å; V301-L335 HydrophobicContact CG1-CD2 3.39Å; V301-L335 HydrophobicContact CG2-CD2 3.93Å; V301-V372 PolarHBondContact N-O 3.07Å; V301-V373 HydrophobicContact CB-CG2 4.27Å; V301-V373 HydrophobicContact CG1-CG1 4.48Å; V301-V373 HydrophobicContact CG1-CG2 4.4Å; V301-V373 CarbonylContact O-C 3.6Å; V301-V373 VanDerWaalsContact O-CA 3.32Å; V301-V373 WeakPolarHBondContact O-CA 3.29Å; V301-H374 PolarHBondContact O-N 3.41Å
302	I	86.3	Confident	85.9	Confident	24 Å²	24	45.2 Å²	45.2	12%	0.123	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	106.1	170.4	-55.9	151.4	0	0	0	108	I344 L356 H374 I376 F380	I302-I344 HydrophobicContact CD1-CD1 3.47Å; I302-I344 VanDerWaalsContact CD1-CD1 3.47Å; I302-I344 HydrophobicContact CD1-CG2 4.31Å; I302-L356 HydrophobicContact CB-CD1 4.47Å; I302-L356 HydrophobicContact CD1-CD1 3.57Å; I302-L356 HydrophobicContact CG1-CD1 3.69Å; I302-L356 HydrophobicContact CG2-CD1 3.93Å; I302-H374 CarbonylContact C-O 3.53Å; I302-H374 WeakPolarHBondContact CA-O 3.5Å; I302-I376 HydrophobicContact CG2-CD1 3.65Å; I302-I376 HydrophobicContact CG2-CG1 3.89Å; I302-I376 HydrophobicContact CG2-CG2 3.83Å; I302-F380 HydrophobicContact CD1-CE2 4.46Å; I302-F380 HydrophobicContact CG2-CE2 3.94Å
303	A	88.3	Confident	85.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.8	-177.7	0	0	0	0	0	111.3	L271 F277 F280 V301 V373 H374 T375 I376	L271-A303 HydrophobicContact CD2-CB 3.71Å; F277-A303 HydrophobicContact CD1-CB 4Å; F277-A303 HydrophobicContact CE1-CB 3.87Å; F280-A303 HydrophobicContact CD1-CB 4.12Å; F280-A303 HydrophobicContact CD2-CB 4.2Å; F280-A303 HydrophobicContact CE1-CB 3.9Å; F280-A303 HydrophobicContact CE2-CB 4Å; F280-A303 HydrophobicContact CG-CB 4.23Å; F280-A303 HydrophobicContact CZ-CB 3.79Å; V301-A303 HydrophobicContact CG1-CB 4.3Å; A303-V373 HydrophobicContact CB-CG1 3.9Å; A303-H374 PolarHBondContact N-O 2.66Å; A303-T375 CarbonylContact O-C 3.5Å; A303-T375 VanDerWaalsContact O-CA 3.26Å; A303-T375 WeakPolarHBondContact O-CA 3.44Å; A303-I376 PolarHBondContact O-N 3.34Å
304	F	90.2	Very high	85.6	Confident	12 Å²	12	50.4 Å²	50.4	5%	0.053	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	148.4	172.7	60.4	-105.6	0	0	0	111.2	F277 F280 L283 A308 F309 I376 V379	F277-F304 WeakPolarHBondContact CD1-O 3.31Å; F280-F304 HydrophobicContact CB-CD2 4.32Å; F280-F304 HydrophobicContact CB-CE2 4.02Å; F280-F304 HydrophobicContact CB-CZ 4.27Å; F280-F304 AromaticContact CD2-CD1 3.63Å; F280-F304 HydrophobicContact CD2-CD1 3.63Å; F280-F304 HydrophobicContact CD2-CD2 4.29Å; F280-F304 AromaticContact CD2-CE1 3.55Å; F280-F304 HydrophobicContact CD2-CE1 3.55Å; F280-F304 HydrophobicContact CD2-CE2 4.21Å; F280-F304 HydrophobicContact CD2-CG 4.01Å; F280-F304 AromaticContact CD2-CZ 3.86Å; F280-F304 HydrophobicContact CD2-CZ 3.86Å; F280-F304 HydrophobicContact CE2-CD1 4.11Å; F280-F304 HydrophobicContact CE2-CE1 4.14Å; L283-F304 HydrophobicContact CD1-CE2 4.46Å; L283-F304 HydrophobicContact CD1-CZ 3.73Å; F304-A308 HydrophobicContact CB-CB 3.93Å; F304-F309 HydrophobicContact CD2-CB 4.13Å; F304-F309 HydrophobicContact CE2-CB 3.95Å; F304-F309 AromaticContact CE2-CD2 3.81Å; F304-F309 HydrophobicContact CE2-CD2 3.81Å; F304-F309 HydrophobicContact CE2-CG 4.22Å; F304-F309 HydrophobicContact CZ-CD2 4.19Å; F304-I376 WeakPolarHBondContact CA-O 3.5Å; F304-I376 HydrophobicContact CB-CD1 4.4Å; F304-I376 HydrophobicContact CB-CG1 3.97Å; F304-V379 HydrophobicContact CB-CG2 4.06Å; F304-V379 HydrophobicContact CD1-CB 4.46Å; F304-V379 HydrophobicContact CD1-CG1 4.02Å; F304-V379 HydrophobicContact CD1-CG2 4.05Å; F304-V379 HydrophobicContact CD2-CG2 3.91Å; F304-V379 HydrophobicContact CE1-CG1 4.07Å; F304-V379 HydrophobicContact CE1-CG2 4.47Å; F304-V379 HydrophobicContact CE2-CG2 4.36Å; F304-V379 HydrophobicContact CG-CG2 3.75Å
305	T	91.7	Very high	85.4	Confident	8 Å²	8	50.8 Å²	50.8	5%	0.049	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-78.1	162.2	177.4	57.9	0	0	0	0	112.7	K276 F277 D307 A308 F309 T375 I376 D377	K276-T305 CarbonylContact O-C 3.59Å; K276-T305 WeakPolarHBondContact O-CA 3.48Å; F277-T305 HydrophobicContact CE1-CG2 4.33Å; T305-D307 PolarHBondContact O-N 3.17Å; T305-A308 VanDerWaalsContact O-CB 3.24Å; T305-A308 WeakPolarHBondContact O-CB 3.42Å; T305-A308 PolarHBondContact O-N 2.64Å; T305-A308 VanDerWaalsContact O-N 3.09Å; T305-A308 WeakPolarHBondContact OG1-CB 3.49Å; T305-A308 PolarHBondContact OG1-N 3.35Å; T305-A308 VanDerWaalsContact OG1-N 3.12Å; T305-F309 PolarHBondContact O-N 2.77Å; T305-T375 HydrophobicContact CG2-CG2 3.37Å; T305-I376 PolarHBondContact N-O 3.27Å; T305-I376 VanDerWaalsContact N-O 3.15Å; T305-D377 PolarHBondContact OG1-OD1 3.23Å
306	D	93.9	Very high	85.7	Confident	23 Å²	23	46.4 Å²	46.4	12%	0.123	25%	0.248	C	C	.	.	H	α-helix	trans	-58	-35.5	170.8	-86.2	24.5	0	0	0	111.3	K276 R278 Y279 F309 T310	K276-D306 PolarHBondContact O-N 3.11Å; R278-D306 WeakPolarHBondContact CB-OD2 3.46Å; R278-D306 PolarHBondContact N-OD1 2.72Å; R278-D306 IonicContact NE-OD2 3.87Å; R278-D306 PolarHBondContact NE-OD2 3.3Å; R278-D306 IonicContact NH2-OD2 3.14Å; Y279-D306 HydrophobicContact CD2-CB 3.86Å; Y279-D306 WeakPolarHBondContact CD2-OD1 3.2Å; Y279-D306 HydrophobicContact CE2-CB 4.28Å; Y279-D306 PolarHBondContact N-OD1 2.83Å; D306-F309 PolarHBondContact O-N 2.89Å; D306-T310 VanDerWaalsContact O-CG2 3.29Å; D306-T310 WeakPolarHBondContact O-CG2 3.25Å; D306-T310 PolarHBondContact O-N 3.24Å; D306-T310 PolarHBondContact O-OG1 3.29Å; D306-T310 VanDerWaalsContact O-OG1 3.07Å
307	D	94.4	Very high	86.6	Confident	113 Å²	113	41 Å²	41	60%	0.604	22%	0.215	S	C	*	.	H	α-helix	trans	-65.1	-41.3	173.9	-66.1	-20.4	0	0	0	111.5	T305 F309 T310 K311	T305-D307 PolarHBondContact O-N 3.17Å; D307-F309 VanDerWaalsContact C-N 3.32Å; D307-F309 PolarHBondContact O-N 3.16Å; D307-T310 WeakPolarHBondContact CA-OG1 3.26Å; D307-T310 PolarHBondContact O-N 3Å; D307-T310 PolarHBondContact O-OG1 2.97Å; D307-K311 WeakPolarHBondContact O-CG 3.19Å; D307-K311 PolarHBondContact O-N 3.13Å
308	A	90.8	Very high	87.4	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-58.5	-44.7	172.8	0	0	0	0	0	112.1	F304 T305 K311 D377 V379	F304-A308 HydrophobicContact CB-CB 3.93Å; T305-A308 VanDerWaalsContact O-CB 3.24Å; T305-A308 WeakPolarHBondContact O-CB 3.42Å; T305-A308 PolarHBondContact O-N 2.64Å; T305-A308 VanDerWaalsContact O-N 3.09Å; T305-A308 WeakPolarHBondContact OG1-CB 3.49Å; T305-A308 PolarHBondContact OG1-N 3.35Å; T305-A308 VanDerWaalsContact OG1-N 3.12Å; A308-K311 PolarHBondContact O-N 3.27Å; A308-D377 WeakPolarHBondContact CA-O 3.25Å; A308-D377 WeakPolarHBondContact CB-O 3.44Å; A308-V379 HydrophobicContact CB-CG2 4.24Å
309	F	91.3	Very high	87.8	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-39.7	-179.3	-172.9	-100.3	0	0	0	112.2	Y279 L283 F304 T305 D306 D307 K311 L312 Q317 I320 R321	Y279-F309 AromaticContact CD1-CD1 3.78Å; Y279-F309 HydrophobicContact CD1-CD1 3.78Å; Y279-F309 AromaticContact CD1-CE1 3.81Å; Y279-F309 HydrophobicContact CD1-CE1 3.81Å; Y279-F309 HydrophobicContact CD2-CB 4.03Å; Y279-F309 AromaticContact CD2-CD1 3.54Å; Y279-F309 HydrophobicContact CD2-CD1 3.54Å; Y279-F309 HydrophobicContact CD2-CE1 4.38Å; Y279-F309 HydrophobicContact CD2-CG 4.05Å; Y279-F309 HydrophobicContact CE1-CD1 4.12Å; Y279-F309 HydrophobicContact CE1-CE1 4.06Å; Y279-F309 AromaticContact CE2-CD1 3.92Å; Y279-F309 HydrophobicContact CE2-CD1 3.92Å; Y279-F309 HydrophobicContact CG-CB 4.32Å; Y279-F309 AromaticContact CG-CD1 3.48Å; Y279-F309 HydrophobicContact CG-CD1 3.48Å; Y279-F309 VanDerWaalsContact CG-CD1 3.48Å; Y279-F309 AromaticContact CG-CE1 3.99Å; Y279-F309 HydrophobicContact CG-CE1 3.99Å; Y279-F309 AromaticContact CG-CG 3.96Å; Y279-F309 HydrophobicContact CG-CG 3.96Å; L283-F309 HydrophobicContact CD1-CE2 4.33Å; F304-F309 HydrophobicContact CD2-CB 4.13Å; F304-F309 HydrophobicContact CE2-CB 3.95Å; F304-F309 AromaticContact CE2-CD2 3.81Å; F304-F309 HydrophobicContact CE2-CD2 3.81Å; F304-F309 HydrophobicContact CE2-CG 4.22Å; F304-F309 HydrophobicContact CZ-CD2 4.19Å; T305-F309 PolarHBondContact O-N 2.77Å; D306-F309 PolarHBondContact O-N 2.89Å; D307-F309 VanDerWaalsContact C-N 3.32Å; D307-F309 PolarHBondContact O-N 3.16Å; F309-K311 VanDerWaalsContact C-N 3.31Å; F309-K311 PolarHBondContact O-N 3.43Å; F309-L312 HydrophobicContact CD2-CD1 4.19Å; F309-L312 HydrophobicContact CE2-CD1 4.37Å; F309-L312 WeakPolarHBondContact O-CB 3.4Å; F309-L312 PolarHBondContact O-N 2.81Å; F309-Q317 HydrophobicContact CD1-CG 4.31Å; F309-Q317 HydrophobicContact CE1-CB 3.8Å; F309-Q317 HydrophobicContact CE1-CG 3.86Å; F309-Q317 HydrophobicContact CZ-CB 3.86Å; F309-Q317 HydrophobicContact CZ-CG 4.12Å; F309-I320 HydrophobicContact CE2-CB 3.92Å; F309-I320 HydrophobicContact CE2-CD1 3.83Å; F309-I320 HydrophobicContact CE2-CG1 4.48Å; F309-I320 HydrophobicContact CE2-CG2 3.68Å; F309-I320 HydrophobicContact CZ-CB 4.21Å; F309-I320 HydrophobicContact CZ-CG2 4.26Å; F309-R321 HydrophobicContact CE1-CG 4.27Å; F309-R321 HydrophobicContact CZ-CG 3.93Å
310	T	93.8	Very high	88	Confident	67 Å²	67	43.8 Å²	43.8	41%	0.411	22%	0.223	S	C	.	.	H	α-helix	trans	-73.5	-20.2	-178.8	54.2	0	0	0	0	113.7	Y279 D306 D307 L312 Q317	Y279-T310 HydrophobicContact CE2-CG2 3.97Å; D306-T310 VanDerWaalsContact O-CG2 3.29Å; D306-T310 WeakPolarHBondContact O-CG2 3.25Å; D306-T310 PolarHBondContact O-N 3.24Å; D306-T310 PolarHBondContact O-OG1 3.29Å; D306-T310 VanDerWaalsContact O-OG1 3.07Å; D307-T310 WeakPolarHBondContact CA-OG1 3.26Å; D307-T310 PolarHBondContact O-N 3Å; D307-T310 PolarHBondContact O-OG1 2.97Å; T310-L312 PolarHBondContact O-N 2.84Å; T310-Q317 PolarHBondContact O-NE2 2.88Å; T310-Q317 VanDerWaalsContact O-NE2 3.1Å
311	K	93.8	Very high	88.4	Confident	138 Å²	138	45.8 Å²	45.8	60%	0.6	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.7	169.1	-72	170.6	-168.9	172.6	0	113.3	D307 A308 F309 D377	D307-K311 WeakPolarHBondContact O-CG 3.19Å; D307-K311 PolarHBondContact O-N 3.13Å; A308-K311 PolarHBondContact O-N 3.27Å; F309-K311 VanDerWaalsContact C-N 3.31Å; F309-K311 PolarHBondContact O-N 3.43Å; K311-D377 PolarHBondContact NZ-O 3.4Å
312	L	88.1	Confident	88.4	Confident	25 Å²	25	48.7 Å²	48.7	13%	0.131	24%	0.242	C	C	.	.	S	Bend	trans	-68.1	149.5	177.4	-63.7	177.5	0	0	0	111.1	F309 T310 Q317 I320 V379	F309-L312 HydrophobicContact CD2-CD1 4.19Å; F309-L312 HydrophobicContact CE2-CD1 4.37Å; F309-L312 WeakPolarHBondContact O-CB 3.4Å; F309-L312 PolarHBondContact O-N 2.81Å; T310-L312 PolarHBondContact O-N 2.84Å; L312-Q317 HydrophobicContact CB-CG 3.98Å; L312-Q317 PolarHBondContact O-NE2 3.15Å; L312-I320 HydrophobicContact CD1-CD1 3.45Å; L312-I320 VanDerWaalsContact CD1-CD1 3.45Å; L312-V379 HydrophobicContact CD1-CB 3.99Å; L312-V379 HydrophobicContact CD1-CG1 4.23Å; L312-V379 HydrophobicContact CD1-CG2 3.89Å; L312-V379 HydrophobicContact CD2-CB 4.35Å; L312-V379 HydrophobicContact CG-CB 4.43Å; L312-V379 HydrophobicContact CG-CG2 4.28Å
313	P	86.6	Confident	88	Confident	64 Å²	64	50.1 Å²	50.1	42%	0.416	25%	0.248	S	C	.	.			trans	-53	140.9	169.7	-27.1	34.9	0	0	0	112.8	H315 Q316 Q317	P313-H315 VanDerWaalsContact CB-CE1 3.47Å; P313-H315 WeakPolarHBondContact CB-CE1 3.24Å; P313-H315 WeakPolarHBondContact CB-ND1 3.41Å; P313-H315 PolarHBondContact O-N 3.39Å; P313-H315 VanDerWaalsContact O-N 3.09Å; P313-Q316 HydrophobicContact CB-CG 4.4Å; P313-Q316 WeakPolarHBondContact O-CB 3.45Å; P313-Q316 PolarHBondContact O-N 3.15Å; P313-Q317 PolarHBondContact O-N 3.37Å
314	Q	87.2	Confident	87.3	Confident	132 Å²	132	52.1 Å²	52.1	62%	0.617	27%	0.265	S	S	*	.	H	α-helix	trans	-52.7	-37.4	-176.5	-72.9	-64.1	-29.7	0	0	113.8	Q317 H318	Q314-Q317 PolarHBondContact O-N 3.41Å; Q314-H318 PolarHBondContact O-N 3.27Å
315	H	79.6	Confident	86.6	Confident	37 Å²	37	56.1 Å²	56.1	17%	0.171	29%	0.294	C	S	.	.	H	α-helix	trans	-65.7	-38.9	177.8	77.4	-85.8	0	0	0	112.3	P313 H318 K319	P313-H315 VanDerWaalsContact CB-CE1 3.47Å; P313-H315 WeakPolarHBondContact CB-CE1 3.24Å; P313-H315 WeakPolarHBondContact CB-ND1 3.41Å; P313-H315 PolarHBondContact O-N 3.39Å; P313-H315 VanDerWaalsContact O-N 3.09Å; H315-H318 PolarHBondContact O-N 2.93Å; H315-K319 WeakPolarHBondContact O-CG 3.28Å; H315-K319 PolarHBondContact O-N 3.14Å; H315-K319 VanDerWaalsContact O-N 3.1Å
316	Q	81.9	Confident	85.9	Confident	13 Å²	13	57.5 Å²	57.5	6%	0.061	30%	0.304	C	S	.	.	H	α-helix	trans	-68.1	-43.4	174.3	-64.9	-174.6	-12.7	0	0	110.3	P313 H318 K319 I320 M381	P313-Q316 HydrophobicContact CB-CG 4.4Å; P313-Q316 WeakPolarHBondContact O-CB 3.45Å; P313-Q316 PolarHBondContact O-N 3.15Å; Q316-H318 VanDerWaalsContact C-N 3.28Å; Q316-H318 PolarHBondContact O-N 2.88Å; Q316-K319 PolarHBondContact O-N 3.25Å; Q316-K319 VanDerWaalsContact O-N 3.17Å; Q316-I320 WeakPolarHBondContact O-CB 3.24Å; Q316-I320 WeakPolarHBondContact O-CD1 3.4Å; Q316-I320 VanDerWaalsContact O-CG1 3.23Å; Q316-I320 WeakPolarHBondContact O-CG1 3.31Å; Q316-I320 PolarHBondContact O-N 3.42Å; Q316-M381 HydrophobicContact CG-CE 4.46Å
317	Q	89	Confident	85.2	Confident	7 Å²	7	56.7 Å²	56.7	3%	0.033	30%	0.299	C	S	.	.	H	α-helix	trans	-57	-41.9	175.8	-64.1	-176.6	33	0	0	112.3	F309 T310 L312 P313 Q314 R321	F309-Q317 HydrophobicContact CD1-CG 4.31Å; F309-Q317 HydrophobicContact CE1-CB 3.8Å; F309-Q317 HydrophobicContact CE1-CG 3.86Å; F309-Q317 HydrophobicContact CZ-CB 3.86Å; F309-Q317 HydrophobicContact CZ-CG 4.12Å; T310-Q317 PolarHBondContact O-NE2 2.88Å; T310-Q317 VanDerWaalsContact O-NE2 3.1Å; L312-Q317 HydrophobicContact CB-CG 3.98Å; L312-Q317 PolarHBondContact O-NE2 3.15Å; P313-Q317 PolarHBondContact O-N 3.37Å; Q314-Q317 PolarHBondContact O-N 3.41Å; Q317-R321 WeakPolarHBondContact O-CB 3.45Å; Q317-R321 WeakPolarHBondContact O-CG 3.38Å; Q317-R321 PolarHBondContact O-N 3.31Å; Q317-R321 VanDerWaalsContact O-N 3.11Å; Q317-R321 PolarHBondContact O-NE 2.9Å
318	H	87.6	Confident	84.3	Confident	121 Å²	121	59.1 Å²	59.1	56%	0.56	30%	0.304	S	S	*	.	H	α-helix	trans	-65.2	-45.4	176.7	-178	-93.4	0	0	0	111.8	Q314 H315 Q316 R321 S322	Q314-H318 PolarHBondContact O-N 3.27Å; H315-H318 PolarHBondContact O-N 2.93Å; Q316-H318 VanDerWaalsContact C-N 3.28Å; Q316-H318 PolarHBondContact O-N 2.88Å; H318-R321 PolarHBondContact O-N 3.19Å; H318-S322 WeakPolarHBondContact O-CB 3.47Å; H318-S322 PolarHBondContact O-N 3.31Å; H318-S322 PolarHBondContact O-OG 3.03Å
319	K	83.4	Confident	83.3	Confident	57 Å²	57	59.6 Å²	59.6	25%	0.248	31%	0.31	C	S	.	.	H	α-helix	trans	-65.8	-38.4	178.7	-70.7	179.3	-176.5	178.8	0	113.3	H315 Q316 S322 Q323 A324 Y327	H315-K319 WeakPolarHBondContact O-CG 3.28Å; H315-K319 PolarHBondContact O-N 3.14Å; H315-K319 VanDerWaalsContact O-N 3.1Å; Q316-K319 PolarHBondContact O-N 3.25Å; Q316-K319 VanDerWaalsContact O-N 3.17Å; K319-S322 PolarHBondContact O-OG 3.46Å; K319-S322 VanDerWaalsContact O-OG 3.09Å; K319-Q323 PolarHBondContact O-N 2.73Å; K319-A324 PolarHBondContact O-N 3.41Å; K319-Y327 HydrophobicContact CB-CD1 4.44Å; K319-Y327 HydrophobicContact CB-CD2 3.63Å; K319-Y327 HydrophobicContact CB-CE1 4.38Å; K319-Y327 HydrophobicContact CB-CE2 3.66Å; K319-Y327 HydrophobicContact CB-CG 4.05Å; K319-Y327 HydrophobicContact CD-CD2 4.26Å; K319-Y327 HydrophobicContact CD-CE2 3.6Å; K319-Y327 HydrophobicContact CG-CD2 4.47Å; K319-Y327 HydrophobicContact CG-CE2 4.24Å
320	I	86.1	Confident	82.4	Confident	1 Å²	1	60 Å²	60	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-48.2	175.8	-65.3	162	0	0	0	110.2	L283 F309 L312 Q316 S322 Q323 Y327 L330 M381	L283-I320 HydrophobicContact CD1-CG2 3.57Å; L283-I320 HydrophobicContact CD2-CG2 3.69Å; L283-I320 VanDerWaalsContact CD2-O 3.25Å; L283-I320 WeakPolarHBondContact CD2-O 3.32Å; L283-I320 HydrophobicContact CG-CG2 4.3Å; F309-I320 HydrophobicContact CE2-CB 3.92Å; F309-I320 HydrophobicContact CE2-CD1 3.83Å; F309-I320 HydrophobicContact CE2-CG1 4.48Å; F309-I320 HydrophobicContact CE2-CG2 3.68Å; F309-I320 HydrophobicContact CZ-CB 4.21Å; F309-I320 HydrophobicContact CZ-CG2 4.26Å; L312-I320 HydrophobicContact CD1-CD1 3.45Å; L312-I320 VanDerWaalsContact CD1-CD1 3.45Å; Q316-I320 WeakPolarHBondContact O-CB 3.24Å; Q316-I320 WeakPolarHBondContact O-CD1 3.4Å; Q316-I320 VanDerWaalsContact O-CG1 3.23Å; Q316-I320 WeakPolarHBondContact O-CG1 3.31Å; Q316-I320 PolarHBondContact O-N 3.42Å; I320-S322 PolarHBondContact O-N 3.15Å; I320-Q323 PolarHBondContact O-N 3.06Å; I320-Q323 VanDerWaalsContact O-N 3.08Å; I320-Q323 PolarHBondContact O-NE2 2.66Å; I320-Y327 HydrophobicContact CB-CD1 4.31Å; I320-Y327 HydrophobicContact CD1-CD1 4.42Å; I320-Y327 HydrophobicContact CD1-CE1 4.34Å; I320-Y327 HydrophobicContact CG1-CD1 3.34Å; I320-Y327 HydrophobicContact CG1-CE1 3.64Å; I320-Y327 HydrophobicContact CG1-CG 4.34Å; I320-L330 HydrophobicContact CD1-CD2 4.12Å; I320-L330 HydrophobicContact CG1-CD2 3.83Å; I320-L330 HydrophobicContact CG2-CD2 4.09Å; I320-M381 HydrophobicContact CD1-SD 4.22Å
321	R	88.4	Confident	81.2	Confident	118 Å²	118	57 Å²	57	45%	0.445	29%	0.294	S	S	.	.	H	α-helix	trans	-64	-38.7	179.3	-76.1	-176	-66	167	-5	113.1	F309 Q317 H318 Q323	F309-R321 HydrophobicContact CE1-CG 4.27Å; F309-R321 HydrophobicContact CZ-CG 3.93Å; Q317-R321 WeakPolarHBondContact O-CB 3.45Å; Q317-R321 WeakPolarHBondContact O-CG 3.38Å; Q317-R321 PolarHBondContact O-N 3.31Å; Q317-R321 VanDerWaalsContact O-N 3.11Å; Q317-R321 PolarHBondContact O-NE 2.9Å; H318-R321 PolarHBondContact O-N 3.19Å; R321-Q323 PolarHBondContact O-N 3.31Å
322	S	84.6	Confident	79.8	Confident	61 Å²	61	51.5 Å²	51.5	43%	0.427	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.7	176.3	65.9	0	0	0	0	113.3	H318 K319 I320 A324	H318-S322 WeakPolarHBondContact O-CB 3.47Å; H318-S322 PolarHBondContact O-N 3.31Å; H318-S322 PolarHBondContact O-OG 3.03Å; K319-S322 PolarHBondContact O-OG 3.46Å; K319-S322 VanDerWaalsContact O-OG 3.09Å; I320-S322 PolarHBondContact O-N 3.15Å; S322-A324 PolarHBondContact O-N 2.9Å; S322-A324 VanDerWaalsContact OG-CB 3.27Å; S322-A324 WeakPolarHBondContact OG-CB 3.35Å
323	Q	77.7	Confident	78.4	Confident	54 Å²	54	57.1 Å²	57.1	25%	0.252	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	29	-173.9	-68	-71.8	-60.1	0	0	112.2	K319 I320 R321	K319-Q323 PolarHBondContact O-N 2.73Å; I320-Q323 PolarHBondContact O-N 3.06Å; I320-Q323 VanDerWaalsContact O-N 3.08Å; I320-Q323 PolarHBondContact O-NE2 2.66Å; R321-Q323 PolarHBondContact O-N 3.31Å
324	A	74.4	Confident	76.8	Confident	43 Å²	43	55.8 Å²	55.8	36%	0.355	29%	0.287	S	S	.	.			trans	-82.8	145	-172.1	0	0	0	0	0	111.6	K319 S322 C326 Y327	K319-A324 PolarHBondContact O-N 3.41Å; S322-A324 PolarHBondContact O-N 2.9Å; S322-A324 VanDerWaalsContact OG-CB 3.27Å; S322-A324 WeakPolarHBondContact OG-CB 3.35Å; A324-C326 PolarHBondContact O-N 2.84Å; A324-Y327 WeakPolarHBondContact O-CB 3.46Å; A324-Y327 PolarHBondContact O-N 3.14Å; A324-Y327 VanDerWaalsContact O-N 3.1Å
325	S	74.2	Confident	75.3	Confident	95 Å²	95	49.7 Å²	49.7	66%	0.664	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	53.5	-123.3	171.3	-170.8	0	0	0	0	112	Y327 K328	S325-Y327 PolarHBondContact O-N 3.41Å; S325-K328 WeakPolarHBondContact O-CB 3.34Å; S325-K328 PolarHBondContact O-N 2.87Å
326	C	78.2	Confident	73.8	Confident	38 Å²	38	49.6 Å²	49.6	26%	0.257	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-68.1	-15.5	-176.1	-29	0	0	0	0	114.1	A324 K328 T385 C506	A324-C326 PolarHBondContact O-N 2.84Å; C326-K328 VanDerWaalsContact C-N 3.32Å; C326-T385 WeakPolarHBondContact O-CG2 3.45Å; C326-C506 HydrophobicContact CB-CB 3.68Å; C326-C506 WeakPolarHBondContact CB-SG 3.48Å; C326-C506 WeakPolarHBondContact SG-CA 3.48Å; C326-C506 WeakPolarHBondContact SG-CB 3.38Å; C326-C506 CovalentContact SG-SG 2.04Å; C326-C506 PolarHBondContact SG-SG 2.96Å
327	Y	77.8	Confident	72	Confident	5 Å²	5	54.8 Å²	54.8	2%	0.02	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-86.1	-7.3	-178.4	-65.8	-91.7	0	0	0	112.8	K319 I320 A324 S325 G329 L330 M381 T385	K319-Y327 HydrophobicContact CB-CD1 4.44Å; K319-Y327 HydrophobicContact CB-CD2 3.63Å; K319-Y327 HydrophobicContact CB-CE1 4.38Å; K319-Y327 HydrophobicContact CB-CE2 3.66Å; K319-Y327 HydrophobicContact CB-CG 4.05Å; K319-Y327 HydrophobicContact CD-CD2 4.26Å; K319-Y327 HydrophobicContact CD-CE2 3.6Å; K319-Y327 HydrophobicContact CG-CD2 4.47Å; K319-Y327 HydrophobicContact CG-CE2 4.24Å; I320-Y327 HydrophobicContact CB-CD1 4.31Å; I320-Y327 HydrophobicContact CD1-CD1 4.42Å; I320-Y327 HydrophobicContact CD1-CE1 4.34Å; I320-Y327 HydrophobicContact CG1-CD1 3.34Å; I320-Y327 HydrophobicContact CG1-CE1 3.64Å; I320-Y327 HydrophobicContact CG1-CG 4.34Å; A324-Y327 WeakPolarHBondContact O-CB 3.46Å; A324-Y327 PolarHBondContact O-N 3.14Å; A324-Y327 VanDerWaalsContact O-N 3.1Å; S325-Y327 PolarHBondContact O-N 3.41Å; Y327-G329 PolarHBondContact O-N 3.27Å; Y327-L330 HydrophobicContact CD1-CD2 4.31Å; Y327-L330 WeakPolarHBondContact O-CB 3.48Å; Y327-L330 PolarHBondContact O-N 3.36Å; Y327-L330 VanDerWaalsContact O-N 3.11Å; Y327-M381 HydrophobicContact CE1-CE 3.62Å; Y327-M381 HydrophobicContact CE1-SD 4.42Å; Y327-T385 PolarHBondContact OH-O 3.01Å; Y327-T385 VanDerWaalsContact OH-O 3.07Å
328	K	75.5	Confident	69.6	Low	164 Å²	164	58.6 Å²	58.6	71%	0.713	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	122.1	177.4	-174.3	177.4	-179	178.8	0	110.4	S325 C326 L330	S325-K328 WeakPolarHBondContact O-CB 3.34Å; S325-K328 PolarHBondContact O-N 2.87Å; C326-K328 VanDerWaalsContact C-N 3.32Å; K328-L330 PolarHBondContact O-N 2.85Å
329	G	69.7	Low	66.8	Low	12 Å²	12	59.3 Å²	59.3	12%	0.124	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	22.1	178.4	0	0	0	0	0	113.8	Y327 C331 S332 R333	Y327-G329 PolarHBondContact O-N 3.27Å; G329-C331 VanDerWaalsContact C-N 3.25Å; G329-C331 PolarHBondContact O-N 3.26Å; G329-S332 WeakPolarHBondContact CA-OG 3.02Å; G329-S332 PolarHBondContact O-N 2.66Å; G329-S332 PolarHBondContact O-OG 3.15Å; G329-S332 VanDerWaalsContact O-OG 3.13Å; G329-R333 WeakPolarHBondContact O-CB 3.21Å; G329-R333 WeakPolarHBondContact O-CG 3.49Å; G329-R333 PolarHBondContact O-N 3.36Å
330	L	73	Confident	64.6	Low	9 Å²	9	58.2 Å²	58.2	5%	0.047	32%	0.32	C	S	.	.	H	α-helix	trans	-49.9	-49.3	173.6	173.3	62.5	0	0	0	111.1	I320 Y327 K328 A334 M381 P382 T385	I320-L330 HydrophobicContact CD1-CD2 4.12Å; I320-L330 HydrophobicContact CG1-CD2 3.83Å; I320-L330 HydrophobicContact CG2-CD2 4.09Å; Y327-L330 HydrophobicContact CD1-CD2 4.31Å; Y327-L330 WeakPolarHBondContact O-CB 3.48Å; Y327-L330 PolarHBondContact O-N 3.36Å; Y327-L330 VanDerWaalsContact O-N 3.11Å; K328-L330 PolarHBondContact O-N 2.85Å; L330-A334 PolarHBondContact O-N 3.02Å; L330-M381 HydrophobicContact CD2-SD 4.23Å; L330-P382 HydrophobicContact CD1-CG 3.71Å; L330-T385 HydrophobicContact CD1-CG2 4.14Å
331	C	67.8	Low	62.3	Low	3 Å²	3	61.8 Å²	61.8	2%	0.02	36%	0.357	C	S	.	.	H	α-helix	trans	-70.7	-49.1	178.8	-67.5	0	0	0	0	111.3	L283 I284 G329 R333 A334 L335	L283-C331 HydrophobicContact CB-CB 4.16Å; L283-C331 VanDerWaalsContact CB-SG 3.54Å; I284-C331 HydrophobicContact CD1-CB 4.18Å; G329-C331 VanDerWaalsContact C-N 3.25Å; G329-C331 PolarHBondContact O-N 3.26Å; C331-R333 PolarHBondContact O-N 2.92Å; C331-A334 PolarHBondContact O-N 3.44Å; C331-L335 HydrophobicContact CB-CD1 4.18Å; C331-L335 VanDerWaalsContact O-CB 3.28Å; C331-L335 WeakPolarHBondContact O-CB 3.17Å; C331-L335 WeakPolarHBondContact O-CD1 3.28Å; C331-L335 WeakPolarHBondContact O-CG 3.03Å; C331-L335 PolarHBondContact O-N 3.3Å; C331-L335 VanDerWaalsContact O-N 3.15Å
332	S	64.7	Low	60.5	Low	23 Å²	23	58.8 Å²	58.8	16%	0.161	35%	0.352	C	S	.	.	H	α-helix	trans	-60.5	-31.1	-178.4	57.4	0	0	0	0	113.8	T288 G329	T288-S332 VanDerWaalsContact OG1-CB 3.24Å; T288-S332 WeakPolarHBondContact OG1-CB 3.24Å; G329-S332 WeakPolarHBondContact CA-OG 3.02Å; G329-S332 PolarHBondContact O-N 2.66Å; G329-S332 PolarHBondContact O-OG 3.15Å; G329-S332 VanDerWaalsContact O-OG 3.13Å
333	R	59.1	Low	58.9	Low	142 Å²	142	62.5 Å²	62.5	54%	0.536	37%	0.366	S	S	.	.	H	α-helix	trans	-76.1	-31.2	174.6	-75.7	173.1	69.3	133.9	-1.7	113.9	G329 C331 L335 A340	G329-R333 WeakPolarHBondContact O-CB 3.21Å; G329-R333 WeakPolarHBondContact O-CG 3.49Å; G329-R333 PolarHBondContact O-N 3.36Å; C331-R333 PolarHBondContact O-N 2.92Å; R333-L335 VanDerWaalsContact C-N 3.28Å; R333-A340 WeakPolarHBondContact O-CB 3.16Å
334	A	54	Low	58.4	Low	37 Å²	37	62.7 Å²	62.7	31%	0.306	37%	0.368	S	S	.	.	H	α-helix	trans	-78.5	-15.6	177.6	0	0	0	0	0	112.9	L330 C331	L330-A334 PolarHBondContact O-N 3.02Å; C331-A334 PolarHBondContact O-N 3.44Å
335	L	54.7	Low	58.3	Low	3 Å²	3	69 Å²	69	2%	0.016	38%	0.383	C	S	.	.	S	Bend	trans	-93	-22.3	-164	-86.9	169.5	0	0	0	116.8	F280 I284 T288 V301 C331 R333	F280-L335 HydrophobicContact CE1-CD2 4.3Å; F280-L335 HydrophobicContact CE2-CD2 4.33Å; F280-L335 HydrophobicContact CZ-CD1 4.01Å; F280-L335 HydrophobicContact CZ-CD2 3.48Å; F280-L335 VanDerWaalsContact CZ-CD2 3.48Å; F280-L335 HydrophobicContact CZ-CG 4.11Å; I284-L335 HydrophobicContact CD1-CD1 3.19Å; T288-L335 HydrophobicContact CG2-CD1 3.94Å; V301-L335 HydrophobicContact CB-CD2 4.07Å; V301-L335 HydrophobicContact CG1-CD2 3.39Å; V301-L335 HydrophobicContact CG2-CD2 3.93Å; C331-L335 HydrophobicContact CB-CD1 4.18Å; C331-L335 VanDerWaalsContact O-CB 3.28Å; C331-L335 WeakPolarHBondContact O-CB 3.17Å; C331-L335 WeakPolarHBondContact O-CD1 3.28Å; C331-L335 WeakPolarHBondContact O-CG 3.03Å; C331-L335 PolarHBondContact O-N 3.3Å; C331-L335 VanDerWaalsContact O-N 3.15Å; R333-L335 VanDerWaalsContact C-N 3.28Å
336	L	47.5	Very low	58.5	Low	35 Å²	35	67.7 Å²	67.7	18%	0.183	38%	0.377	C	S	.	.	S	Bend	trans	-126.1	89.3	-161.1	-65.3	170.8	0	0	0	110.2	K291 L299	K291-L336 HydrophobicContact CD-CD1 3.89Å; K291-L336 HydrophobicContact CD-CD2 4.27Å; L299-L336 HydrophobicContact CD1-CD2 4.3Å; L299-L336 HydrophobicContact CD2-CD2 3.99Å
337	E	44.4	Very low	58.7	Low	123 Å²	123	67.8 Å²	67.8	58%	0.575	38%	0.377	S	S	*	.			trans	58.5	157.6	166.1	-59	-174.4	157.4	0	0	116.2	N339 A340	E337-N339 PolarHBondContact O-N 3.12Å; E337-A340 PolarHBondContact O-N 3.09Å
338	S	39.3	Very low	59	Low	87 Å²	87	73.5 Å²	73.5	61%	0.608	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	7.9	178.4	66.7	0	0	0	0	114.8
339	N	28.2	Very low	59.5	Low	135 Å²	135	66.6 Å²	66.6	72%	0.722	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-17.6	179.8	-69	-23.1	0	0	0	113.1	E337 G341	E337-N339 PolarHBondContact O-N 3.12Å; N339-G341 PolarHBondContact O-N 3.32Å
340	A	36.7	Very low	60.1	Low	35 Å²	35	73.1 Å²	73.1	29%	0.289	42%	0.42	S	S	.	.	S	Bend	trans	-81.6	46.4	178.4	0	0	0	0	0	113.6	R333 E337 T342	R333-A340 WeakPolarHBondContact O-CB 3.16Å; E337-A340 PolarHBondContact O-N 3.09Å; A340-T342 PolarHBondContact O-N 2.79Å; A340-T342 PolarHBondContact O-OG1 3.05Å
341	G	38	Very low	60.6	Low	75 Å²	75	77.1 Å²	77.1	77%	0.773	45%	0.449	S	S	*	.	S	Bend	trans	61.8	-6.6	162.6	0	0	0	0	0	118.5	N339	N339-G341 PolarHBondContact O-N 3.32Å
342	T	50.9	Low	61.3	Low	56 Å²	56	79.1 Å²	79.1	34%	0.344	47%	0.469	S	S	.	.			trans	-117.7	92.5	176.4	-36.1	0	0	0	0	106.2	A340 I344	A340-T342 PolarHBondContact O-N 2.79Å; A340-T342 PolarHBondContact O-OG1 3.05Å; T342-I344 PolarHBondContact O-N 3.27Å
343	L	51.5	Low	62.2	Low	138 Å²	138	80.9 Å²	80.9	72%	0.723	48%	0.477	S	S	*	.			trans	-58.9	113.5	175.8	-67.9	171.3	0	0	0	108.1	R345	L343-R345 PolarHBondContact O-N 3.11Å
344	I	66	Low	63.3	Low	58 Å²	58	76 Å²	76	30%	0.297	46%	0.462	S	S	.	.			trans	-79.7	108.4	168.6	-58.8	-179.2	0	0	0	106.1	I302 T342 A346 L356	I302-I344 HydrophobicContact CD1-CD1 3.47Å; I302-I344 VanDerWaalsContact CD1-CD1 3.47Å; I302-I344 HydrophobicContact CD1-CG2 4.31Å; T342-I344 PolarHBondContact O-N 3.27Å; I344-A346 PolarHBondContact O-N 2.84Å; I344-L356 HydrophobicContact CG2-CB 3.9Å; I344-L356 HydrophobicContact CG2-CD2 3.88Å; I344-L356 HydrophobicContact CG2-CG 4.35Å
345	R	72.8	Confident	64.7	Low	177 Å²	177	75.6 Å²	75.6	67%	0.668	45%	0.454	S	S	*	.			trans	-76.8	114.2	175.5	-173.1	-175.8	-175.7	163.4	1.8	108.6	L343 T347 L356 N357	L343-R345 PolarHBondContact O-N 3.11Å; R345-T347 HydrophobicContact CG-CG2 4.13Å; R345-L356 WeakPolarHBondContact O-CA 3.38Å; R345-N357 PolarHBondContact N-OD1 2.67Å; R345-N357 PolarHBondContact O-N 3.47Å
346	A	78.8	Confident	65.9	Low	66 Å²	66	76 Å²	76	55%	0.545	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	128.5	168.8	0	0	0	0	0	110.3	I344 L354 L355 L356	I344-A346 PolarHBondContact O-N 2.84Å; A346-L354 HydrophobicContact CB-CD1 4.37Å; A346-L355 CarbonylContact C-O 3.4Å; A346-L355 WeakPolarHBondContact CA-O 3.48Å; A346-L356 HydrophobicContact CB-CD2 3.96Å
347	T	82.5	Confident	67.4	Low	40 Å²	40	77.3 Å²	77.3	25%	0.245	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	163	172.9	49.8	0	0	0	0	110	R345 L355	R345-T347 HydrophobicContact CG-CG2 4.13Å; T347-L355 PolarHBondContact N-O 2.99Å; T347-L355 WeakPolarHBondContact O-CA 3.4Å; T347-L355 WeakPolarHBondContact O-CB 3.46Å; T347-L355 PolarHBondContact O-N 3.37Å; T347-L355 WeakPolarHBondContact OG1-CB 3.49Å
348	L	84.8	Confident	69	Low	125 Å²	125	77.6 Å²	77.6	65%	0.654	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	138.3	168.2	-65.9	172.9	0	0	0	108.9	D353 L354	L348-D353 CarbonylContact C-O 3.46Å; L348-D353 WeakPolarHBondContact CA-O 3.24Å; L348-L354 HydrophobicContact CD2-CD1 4.49Å
349	S	84.5	Confident	71	Confident	19 Å²	19	74.1 Å²	74.1	13%	0.133	44%	0.444	C	S	.	.			trans	-67	165.5	167.2	75.1	0	0	0	0	110.1	S351 G352 D353	S349-S351 PolarHBondContact O-N 2.91Å; S349-S351 PolarHBondContact OG-N 3.19Å; S349-S351 PolarHBondContact OG-OG 3.09Å; S349-G352 PolarHBondContact O-N 3.34Å; S349-G352 PolarHBondContact OG-N 3.21Å; S349-D353 PolarHBondContact N-O 2.83Å; S349-D353 WeakPolarHBondContact OG-CB 3.4Å; S349-D353 PolarHBondContact OG-N 3.18Å
350	P	83	Confident	73.8	Confident	149 Å²	149	71 Å²	71	97%	0.968	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-26	170.9	-25.1	35.3	0	0	0	114	G352	P350-G352 VanDerWaalsContact C-N 3.3Å
351	S	84.4	Confident	76.2	Confident	94 Å²	94	69.6 Å²	69.6	66%	0.657	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-6.8	174.5	51.9	0	0	0	0	113.8	S349 D353	S349-S351 PolarHBondContact O-N 2.91Å; S349-S351 PolarHBondContact OG-N 3.19Å; S349-S351 PolarHBondContact OG-OG 3.09Å; S351-D353 PolarHBondContact OG-OD2 3.35Å
352	G	81.8	Confident	78.5	Confident	44 Å²	44	68.8 Å²	68.8	45%	0.454	40%	0.4	S	S	.	.	S	Bend	trans	89.1	11	-176.4	0	0	0	0	0	114.5	S349 P350	S349-G352 PolarHBondContact O-N 3.34Å; S349-G352 PolarHBondContact OG-N 3.21Å; P350-G352 VanDerWaalsContact C-N 3.3Å
353	D	83.8	Confident	80.1	Confident	61 Å²	61	67.3 Å²	67.3	33%	0.326	40%	0.396	S	S	.	.			trans	-78.2	138.1	176.9	-66	-58.7	0	0	0	111.9	L348 S349 S351 L355 T360 K364	L348-D353 CarbonylContact C-O 3.46Å; L348-D353 WeakPolarHBondContact CA-O 3.24Å; S349-D353 PolarHBondContact N-O 2.83Å; S349-D353 WeakPolarHBondContact OG-CB 3.4Å; S349-D353 PolarHBondContact OG-N 3.18Å; S351-D353 PolarHBondContact OG-OD2 3.35Å; D353-L355 PolarHBondContact O-N 3.26Å; D353-T360 HydrophobicContact CB-CG2 4.16Å; D353-K364 IonicContact OD1-NZ 3.58Å; D353-K364 PolarHBondContact OD1-NZ 3.08Å
354	L	82.2	Confident	81.5	Confident	40 Å²	40	64.8 Å²	64.8	21%	0.209	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	121.7	175.6	-178.4	63.2	0	0	0	109.4	A346 L348 V361 K364	A346-L354 HydrophobicContact CB-CD1 4.37Å; L348-L354 HydrophobicContact CD2-CD1 4.49Å; L354-V361 HydrophobicContact CB-CB 4.3Å; L354-V361 HydrophobicContact CB-CG2 4.21Å; L354-V361 HydrophobicContact CD2-CB 4.47Å; L354-V361 HydrophobicContact CD2-CG2 3.97Å; L354-V361 HydrophobicContact CG-CB 4.49Å; L354-V361 HydrophobicContact CG-CG2 3.91Å; L354-V361 WeakPolarHBondContact O-CG2 3.33Å; L354-V361 PolarHBondContact O-N 3.36Å; L354-K364 HydrophobicContact CB-CD 4.41Å
355	L	83.4	Confident	82	Confident	27 Å²	27	65 Å²	65	14%	0.141	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.2	174.7	-59.4	177.4	0	0	0	109.3	A346 T347 D353 V359 T360	A346-L355 CarbonylContact C-O 3.4Å; A346-L355 WeakPolarHBondContact CA-O 3.48Å; T347-L355 PolarHBondContact N-O 2.99Å; T347-L355 WeakPolarHBondContact O-CA 3.4Å; T347-L355 WeakPolarHBondContact O-CB 3.46Å; T347-L355 PolarHBondContact O-N 3.37Å; T347-L355 WeakPolarHBondContact OG1-CB 3.49Å; D353-L355 PolarHBondContact O-N 3.26Å; L355-V359 CarbonylContact C-O 3.58Å; L355-V359 VanDerWaalsContact CA-O 3.27Å; L355-V359 WeakPolarHBondContact CA-O 3.46Å; L355-T360 HydrophobicContact CD2-CG2 4.4Å; L355-T360 VanDerWaalsContact CD2-OG1 3.27Å; L355-T360 WeakPolarHBondContact CD2-OG1 3.36Å
356	L	80.3	Confident	82.4	Confident	12 Å²	12	58.2 Å²	58.2	6%	0.063	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	112.5	174	-65.7	177.2	0	0	0	107.4	I302 I344 R345 A346 N358 V359 V361 F380	I302-L356 HydrophobicContact CB-CD1 4.47Å; I302-L356 HydrophobicContact CD1-CD1 3.57Å; I302-L356 HydrophobicContact CG1-CD1 3.69Å; I302-L356 HydrophobicContact CG2-CD1 3.93Å; I344-L356 HydrophobicContact CG2-CB 3.9Å; I344-L356 HydrophobicContact CG2-CD2 3.88Å; I344-L356 HydrophobicContact CG2-CG 4.35Å; R345-L356 WeakPolarHBondContact O-CA 3.38Å; A346-L356 HydrophobicContact CB-CD2 3.96Å; L356-N358 PolarHBondContact O-N 2.9Å; L356-N358 VanDerWaalsContact O-N 3.16Å; L356-V359 PolarHBondContact N-O 3.11Å; L356-V359 WeakPolarHBondContact O-CB 3.26Å; L356-V359 PolarHBondContact O-N 3.02Å; L356-V361 HydrophobicContact CD1-CG2 3.61Å; L356-V361 HydrophobicContact CG-CG2 3.75Å; L356-F380 HydrophobicContact CB-CE2 4.19Å; L356-F380 HydrophobicContact CB-CZ 3.55Å; L356-F380 WeakPolarHBondContact O-CE1 3.43Å; L356-F380 VanDerWaalsContact O-CZ 3.25Å; L356-F380 WeakPolarHBondContact O-CZ 3.4Å
357	N	77.3	Confident	82.5	Confident	62 Å²	62	55.9 Å²	55.9	33%	0.332	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	38.5	-171.5	-68.2	-21.1	0	0	0	113.2	R345 V359 F380	R345-N357 PolarHBondContact N-OD1 2.67Å; R345-N357 PolarHBondContact O-N 3.47Å; N357-V359 VanDerWaalsContact C-N 3.27Å; N357-V359 PolarHBondContact O-N 3.33Å; N357-F380 HydrophobicContact CB-CE1 4.03Å
358	N	78.1	Confident	82.6	Confident	130 Å²	130	54 Å²	54	70%	0.695	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	3.6	-174.6	-49.7	-34.5	0	0	0	116.2	L356	L356-N358 PolarHBondContact O-N 2.9Å; L356-N358 VanDerWaalsContact O-N 3.16Å
359	V	82.6	Confident	82.3	Confident	13 Å²	13	50.9 Å²	50.9	8%	0.079	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	131.7	171.4	175.3	0	0	0	0	109.7	L355 L356 N357 I376 E378 F380	L355-V359 CarbonylContact C-O 3.58Å; L355-V359 VanDerWaalsContact CA-O 3.27Å; L355-V359 WeakPolarHBondContact CA-O 3.46Å; L356-V359 PolarHBondContact N-O 3.11Å; L356-V359 WeakPolarHBondContact O-CB 3.26Å; L356-V359 PolarHBondContact O-N 3.02Å; N357-V359 VanDerWaalsContact C-N 3.27Å; N357-V359 PolarHBondContact O-N 3.33Å; V359-I376 HydrophobicContact CG1-CB 4.19Å; V359-I376 HydrophobicContact CG1-CG2 4.24Å; V359-E378 HydrophobicContact CG1-CB 3.76Å; V359-E378 HydrophobicContact CG1-CG 4.14Å; V359-E378 HydrophobicContact CG2-CB 4.34Å; V359-F380 HydrophobicContact CB-CE1 3.69Å; V359-F380 HydrophobicContact CB-CZ 4.05Å; V359-F380 HydrophobicContact CG1-CE1 4.41Å; V359-F380 HydrophobicContact CG2-CD1 4.17Å; V359-F380 HydrophobicContact CG2-CE1 3.5Å; V359-F380 HydrophobicContact CG2-CZ 4.35Å
360	T	86.7	Confident	82.1	Confident	71 Å²	71	50 Å²	50	44%	0.436	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	134.1	179.2	-52.6	0	0	0	0	111.4	D353 L355 S362	D353-T360 HydrophobicContact CB-CG2 4.16Å; L355-T360 HydrophobicContact CD2-CG2 4.4Å; L355-T360 VanDerWaalsContact CD2-OG1 3.27Å; L355-T360 WeakPolarHBondContact CD2-OG1 3.36Å; T360-S362 PolarHBondContact O-N 3.13Å
361	V	86.7	Confident	82	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.03	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	112	173.3	-179.3	0	0	0	0	109.6	L354 L356 G363 K364 H374 T375 I376	L354-V361 HydrophobicContact CB-CB 4.3Å; L354-V361 HydrophobicContact CB-CG2 4.21Å; L354-V361 HydrophobicContact CD2-CB 4.47Å; L354-V361 HydrophobicContact CD2-CG2 3.97Å; L354-V361 HydrophobicContact CG-CB 4.49Å; L354-V361 HydrophobicContact CG-CG2 3.91Å; L354-V361 WeakPolarHBondContact O-CG2 3.33Å; L354-V361 PolarHBondContact O-N 3.36Å; L356-V361 HydrophobicContact CD1-CG2 3.61Å; L356-V361 HydrophobicContact CG-CG2 3.75Å; V361-G363 WeakPolarHBondContact CG1-O 3.48Å; V361-K364 HydrophobicContact CB-CG 4.27Å; V361-K364 HydrophobicContact CG1-CG 3.63Å; V361-H374 HydrophobicContact CG1-CB 3.91Å; V361-T375 CarbonylContact C-O 3.58Å; V361-T375 WeakPolarHBondContact CA-O 3.35Å; V361-T375 VanDerWaalsContact CG1-O 3.31Å; V361-T375 WeakPolarHBondContact CG1-O 3.5Å; V361-I376 HydrophobicContact CG2-CG2 4.11Å
362	S	87.6	Confident	81.9	Confident	58 Å²	58	39.3 Å²	39.3	41%	0.406	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-23.8	-177.1	59.3	0	0	0	0	113.7	T360 T375 D377	T360-S362 PolarHBondContact O-N 3.13Å; S362-T375 PolarHBondContact N-O 2.77Å; S362-T375 PolarHBondContact OG-O 3.01Å; S362-D377 VanDerWaalsContact CB-CG 3.42Å; S362-D377 WeakPolarHBondContact CB-OD2 3.39Å; S362-D377 PolarHBondContact OG-OD1 3.47Å; S362-D377 PolarHBondContact OG-OD2 3.3Å
363	G	83.3	Confident	82.1	Confident	25 Å²	25	37.2 Å²	37.2	26%	0.258	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	125.6	172.3	0	0	0	0	0	110.6	V361 H374 T375	V361-G363 WeakPolarHBondContact CG1-O 3.48Å; G363-H374 CarbonylContact O-C 3.6Å; G363-H374 WeakPolarHBondContact O-CA 3.28Å; G363-T375 PolarHBondContact N-O 3.07Å; G363-T375 VanDerWaalsContact N-O 3.14Å; G363-T375 PolarHBondContact O-N 2.78Å
364	K	80.6	Confident	82.2	Confident	85 Å²	85	35.3 Å²	35.3	37%	0.37	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	146.8	-174.7	-59.6	171	-167.3	164.6	0	109.9	D353 L354 V361 A366	D353-K364 IonicContact OD1-NZ 3.58Å; D353-K364 PolarHBondContact OD1-NZ 3.08Å; L354-K364 HydrophobicContact CB-CD 4.41Å; V361-K364 HydrophobicContact CB-CG 4.27Å; V361-K364 HydrophobicContact CG1-CG 3.63Å; K364-A366 PolarHBondContact O-N 2.88Å
365	D	77	Confident	82.6	Confident	61 Å²	61	34.3 Å²	34.3	33%	0.326	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	57	40.4	164.3	-49.9	-47.7	0	0	0	115.4	C238 V367 H374	C238-D365 HydrophobicContact CB-CB 4.36Å; D365-V367 VanDerWaalsContact O-CG2 3.26Å; D365-V367 WeakPolarHBondContact O-CG2 3.39Å; D365-V367 PolarHBondContact O-N 3.03Å; D365-H374 IonicContact OD1-CE1 3.22Å; D365-H374 PolarHBondContact OD1-CE1 2.89Å; D365-H374 IonicContact OD1-ND1 2.74Å
366	A	81.6	Confident	82.9	Confident	35 Å²	35	33.2 Å²	33.2	29%	0.289	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	103.1	169.4	0	0	0	0	0	109	L270 K364 V372 V373	L270-A366 HydrophobicContact CD1-CB 4.2Å; L270-A366 HydrophobicContact CD2-CB 4.41Å; K364-A366 PolarHBondContact O-N 2.88Å; A366-V372 WeakPolarHBondContact O-CA 3.34Å; A366-V373 HydrophobicContact CB-CB 4.13Å; A366-V373 WeakPolarHBondContact CB-O 3.45Å; A366-V373 PolarHBondContact N-O 2.95Å; A366-V373 PolarHBondContact O-N 3.39Å
367	V	81.1	Confident	83.3	Confident	18 Å²	18	35.7 Å²	35.7	11%	0.109	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	131.3	-171.3	-165.4	0	0	0	0	111.5	N237 A263 D365	N237-V367 HydrophobicContact CB-CG1 3.95Å; N237-V367 HydrophobicContact CB-CG2 4.13Å; N237-V367 WeakPolarHBondContact O-CG2 3.26Å; A263-V367 HydrophobicContact CB-CB 4.38Å; A263-V367 HydrophobicContact CB-CG1 3.77Å; D365-V367 VanDerWaalsContact O-CG2 3.26Å; D365-V367 WeakPolarHBondContact O-CG2 3.39Å; D365-V367 PolarHBondContact O-N 3.03Å
368	A	83	Confident	83.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	166.5	173.8	0	0	0	0	0	110.6	K265 I267 L270 N370 G371	K265-A368 CarbonylContact O-C 3.3Å; K265-A368 VanDerWaalsContact O-CA 3.32Å; K265-A368 WeakPolarHBondContact O-CA 3.44Å; K265-A368 WeakPolarHBondContact O-CB 3.37Å; I267-A368 HydrophobicContact CB-CB 4.28Å; I267-A368 HydrophobicContact CG1-CB 3.5Å; I267-A368 VanDerWaalsContact CG1-CB 3.5Å; L270-A368 HydrophobicContact CD1-CB 4.2Å; A368-N370 PolarHBondContact O-N 2.98Å; A368-G371 CarbonylContact C-O 3.59Å; A368-G371 WeakPolarHBondContact CA-O 3.11Å; A368-G371 PolarHBondContact N-O 3.18Å; A368-G371 PolarHBondContact O-N 3.45Å
369	L	80.1	Confident	84	Confident	59 Å²	59	32.3 Å²	32.3	31%	0.309	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.7	-179	-72	173.8	0	0	0	113.4	R221 A263 K265	R221-L369 HydrophobicContact CG-CD2 4.5Å; A263-L369 WeakPolarHBondContact O-CD2 3.17Å; K265-L369 PolarHBondContact O-N 3.41Å
370	N	80.2	Confident	83.8	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.011	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	26.9	-176.4	61.9	-36.2	0	0	0	112.7	S266 I267 L292 S294 E297 L299 A368	S266-N370 WeakPolarHBondContact CA-OD1 3.26Å; I267-N370 WeakPolarHBondContact CD1-O 3.17Å; I267-N370 WeakPolarHBondContact CG1-OD1 3.15Å; I267-N370 PolarHBondContact N-OD1 3Å; L292-N370 VanDerWaalsContact C-ND2 3.27Å; L292-N370 PolarHBondContact O-ND2 3.2Å; S294-N370 WeakPolarHBondContact O-CB 3.33Å; S294-N370 PolarHBondContact O-ND2 3.48Å; E297-N370 CarbonylContact O-C 3.5Å; E297-N370 WeakPolarHBondContact O-CA 3.27Å; E297-N370 WeakPolarHBondContact O-CB 3.46Å; L299-N370 PolarHBondContact N-O 3.13Å; A368-N370 PolarHBondContact O-N 2.98Å
371	G	80.5	Confident	83.2	Confident	6 Å²	6	32 Å²	32	6%	0.062	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.2	-149.4	171.5	0	0	0	0	0	114.5	L299 A368	L299-G371 CarbonylContact O-C 3.59Å; L299-G371 WeakPolarHBondContact O-CA 3.4Å; A368-G371 CarbonylContact C-O 3.59Å; A368-G371 WeakPolarHBondContact CA-O 3.11Å; A368-G371 PolarHBondContact N-O 3.18Å; A368-G371 PolarHBondContact O-N 3.45Å
372	V	81.5	Confident	82.6	Confident	11 Å²	11	32.9 Å²	32.9	7%	0.067	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.7	-175.2	-65.8	0	0	0	0	113.1	C238 L299 T300 V301 A366	C238-V372 WeakPolarHBondContact SG-CG1 3.34Å; L299-V372 PolarHBondContact O-N 3.04Å; T300-V372 HydrophobicContact CG2-CG2 4.06Å; V301-V372 PolarHBondContact N-O 3.07Å; A366-V372 WeakPolarHBondContact O-CA 3.34Å
373	V	86.4	Confident	81.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.3	173.6	179.8	0	0	0	0	109.6	I267 L270 L271 V301 A303 A366	I267-V373 HydrophobicContact CB-CG2 4.45Å; I267-V373 HydrophobicContact CG1-CG2 4.32Å; I267-V373 HydrophobicContact CG2-CG2 3.64Å; L270-V373 HydrophobicContact CD2-CB 4.43Å; L270-V373 HydrophobicContact CD2-CG2 4.24Å; L271-V373 HydrophobicContact CD2-CG1 3.79Å; L271-V373 HydrophobicContact CD2-CG2 4.29Å; L271-V373 HydrophobicContact CG-CG2 4.31Å; V301-V373 HydrophobicContact CB-CG2 4.27Å; V301-V373 HydrophobicContact CG1-CG1 4.48Å; V301-V373 HydrophobicContact CG1-CG2 4.4Å; V301-V373 CarbonylContact O-C 3.6Å; V301-V373 VanDerWaalsContact O-CA 3.32Å; V301-V373 WeakPolarHBondContact O-CA 3.29Å; A303-V373 HydrophobicContact CB-CG1 3.9Å; A366-V373 HydrophobicContact CB-CB 4.13Å; A366-V373 WeakPolarHBondContact CB-O 3.45Å; A366-V373 PolarHBondContact N-O 2.95Å; A366-V373 PolarHBondContact O-N 3.39Å
374	H	87	Confident	81.5	Confident	21 Å²	21	40 Å²	40	10%	0.097	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.3	164.3	-61.8	-73.7	0	0	0	109.1	V301 I302 A303 V361 G363 D365	V301-H374 PolarHBondContact O-N 3.41Å; I302-H374 CarbonylContact C-O 3.53Å; I302-H374 WeakPolarHBondContact CA-O 3.5Å; A303-H374 PolarHBondContact N-O 2.66Å; V361-H374 HydrophobicContact CG1-CB 3.91Å; G363-H374 CarbonylContact O-C 3.6Å; G363-H374 WeakPolarHBondContact O-CA 3.28Å; D365-H374 IonicContact OD1-CE1 3.22Å; D365-H374 PolarHBondContact OD1-CE1 2.89Å; D365-H374 IonicContact OD1-ND1 2.74Å
375	T	89.4	Confident	81.3	Confident	20 Å²	20	36.2 Å²	36.2	12%	0.123	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.1	179.9	-53.6	0	0	0	0	110.1	F277 A303 T305 V361 S362 G363	F277-T375 HydrophobicContact CE1-CG2 3.8Å; F277-T375 HydrophobicContact CZ-CG2 3.99Å; F277-T375 WeakPolarHBondContact CZ-OG1 3.33Å; A303-T375 CarbonylContact O-C 3.5Å; A303-T375 VanDerWaalsContact O-CA 3.26Å; A303-T375 WeakPolarHBondContact O-CA 3.44Å; T305-T375 HydrophobicContact CG2-CG2 3.37Å; V361-T375 CarbonylContact C-O 3.58Å; V361-T375 WeakPolarHBondContact CA-O 3.35Å; V361-T375 VanDerWaalsContact CG1-O 3.31Å; V361-T375 WeakPolarHBondContact CG1-O 3.5Å; S362-T375 PolarHBondContact N-O 2.77Å; S362-T375 PolarHBondContact OG-O 3.01Å; G363-T375 PolarHBondContact N-O 3.07Å; G363-T375 VanDerWaalsContact N-O 3.14Å; G363-T375 PolarHBondContact O-N 2.78Å
376	I	89	Confident	81.5	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.015	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.4	174.4	55	172.5	0	0	0	110.5	I302 A303 F304 T305 V359 V361 E378 F380	I302-I376 HydrophobicContact CG2-CD1 3.65Å; I302-I376 HydrophobicContact CG2-CG1 3.89Å; I302-I376 HydrophobicContact CG2-CG2 3.83Å; A303-I376 PolarHBondContact O-N 3.34Å; F304-I376 WeakPolarHBondContact CA-O 3.5Å; F304-I376 HydrophobicContact CB-CD1 4.4Å; F304-I376 HydrophobicContact CB-CG1 3.97Å; T305-I376 PolarHBondContact N-O 3.27Å; T305-I376 VanDerWaalsContact N-O 3.15Å; V359-I376 HydrophobicContact CG1-CB 4.19Å; V359-I376 HydrophobicContact CG1-CG2 4.24Å; V361-I376 HydrophobicContact CG2-CG2 4.11Å; I376-E378 VanDerWaalsContact C-N 3.32Å; I376-E378 WeakPolarHBondContact CD1-O 3.49Å; I376-E378 WeakPolarHBondContact CG1-O 3.23Å; I376-F380 HydrophobicContact CD1-CD2 3.83Å; I376-F380 HydrophobicContact CD1-CE2 3.63Å; I376-F380 HydrophobicContact CD1-CG 4.42Å; I376-F380 HydrophobicContact CD1-CZ 4.03Å
377	D	90.2	Very high	81.7	Confident	64 Å²	64	35.1 Å²	35.1	34%	0.342	17%	0.172	S	C	.	.	S	Bend	trans	-96.9	17.9	178.2	-66.6	-20.6	0	0	0	113.1	T305 A308 K311 S362	T305-D377 PolarHBondContact OG1-OD1 3.23Å; A308-D377 WeakPolarHBondContact CA-O 3.25Å; A308-D377 WeakPolarHBondContact CB-O 3.44Å; K311-D377 PolarHBondContact NZ-O 3.4Å; S362-D377 VanDerWaalsContact CB-CG 3.42Å; S362-D377 WeakPolarHBondContact CB-OD2 3.39Å; S362-D377 PolarHBondContact OG-OD1 3.47Å; S362-D377 PolarHBondContact OG-OD2 3.3Å
378	E	86.4	Confident	82.1	Confident	104 Å²	104	34.4 Å²	34.4	49%	0.486	17%	0.168	S	C	.	.	S	Bend	trans	-138.8	158.1	173.7	-59.8	-179.3	-151.5	0	0	110.1	V359 I376	V359-E378 HydrophobicContact CG1-CB 3.76Å; V359-E378 HydrophobicContact CG1-CG 4.14Å; V359-E378 HydrophobicContact CG2-CB 4.34Å; I376-E378 VanDerWaalsContact C-N 3.32Å; I376-E378 WeakPolarHBondContact CD1-O 3.49Å; I376-E378 WeakPolarHBondContact CG1-O 3.23Å
379	V	84	Confident	82.4	Confident	18 Å²	18	34.8 Å²	34.8	11%	0.109	17%	0.17	C	C	.	.			trans	-102.6	124.7	177.8	-178.3	0	0	0	0	109.3	F304 A308 L312 M381	F304-V379 HydrophobicContact CB-CG2 4.06Å; F304-V379 HydrophobicContact CD1-CB 4.46Å; F304-V379 HydrophobicContact CD1-CG1 4.02Å; F304-V379 HydrophobicContact CD1-CG2 4.05Å; F304-V379 HydrophobicContact CD2-CG2 3.91Å; F304-V379 HydrophobicContact CE1-CG1 4.07Å; F304-V379 HydrophobicContact CE1-CG2 4.47Å; F304-V379 HydrophobicContact CE2-CG2 4.36Å; F304-V379 HydrophobicContact CG-CG2 3.75Å; A308-V379 HydrophobicContact CB-CG2 4.24Å; L312-V379 HydrophobicContact CD1-CB 3.99Å; L312-V379 HydrophobicContact CD1-CG1 4.23Å; L312-V379 HydrophobicContact CD1-CG2 3.89Å; L312-V379 HydrophobicContact CD2-CB 4.35Å; L312-V379 HydrophobicContact CG-CB 4.43Å; L312-V379 HydrophobicContact CG-CG2 4.28Å; V379-M381 PolarHBondContact O-N 3.31Å; V379-M381 VanDerWaalsContact O-N 3.11Å
380	F	77.5	Confident	82.7	Confident	36 Å²	36	34.6 Å²	34.6	16%	0.158	17%	0.168	C	C	.	.			trans	-65.5	113.8	169.7	-68.2	-48.1	0	0	0	110.4	I302 L356 N357 V359 I376 P382	I302-F380 HydrophobicContact CD1-CE2 4.46Å; I302-F380 HydrophobicContact CG2-CE2 3.94Å; L356-F380 HydrophobicContact CB-CE2 4.19Å; L356-F380 HydrophobicContact CB-CZ 3.55Å; L356-F380 WeakPolarHBondContact O-CE1 3.43Å; L356-F380 VanDerWaalsContact O-CZ 3.25Å; L356-F380 WeakPolarHBondContact O-CZ 3.4Å; N357-F380 HydrophobicContact CB-CE1 4.03Å; V359-F380 HydrophobicContact CB-CE1 3.69Å; V359-F380 HydrophobicContact CB-CZ 4.05Å; V359-F380 HydrophobicContact CG1-CE1 4.41Å; V359-F380 HydrophobicContact CG2-CD1 4.17Å; V359-F380 HydrophobicContact CG2-CE1 3.5Å; V359-F380 HydrophobicContact CG2-CZ 4.35Å; I376-F380 HydrophobicContact CD1-CD2 3.83Å; I376-F380 HydrophobicContact CD1-CE2 3.63Å; I376-F380 HydrophobicContact CD1-CG 4.42Å; I376-F380 HydrophobicContact CD1-CZ 4.03Å; F380-P382 WeakPolarHBondContact O-CD 3.44Å
381	M	74.9	Confident	83	Confident	40 Å²	40	34.7 Å²	34.7	20%	0.197	17%	0.169	C	C	.	.			trans	-99.4	106.4	171	-70.2	-70.2	-79.9	0	0	108.7	Q316 I320 Y327 L330 V379 L386	Q316-M381 HydrophobicContact CG-CE 4.46Å; I320-M381 HydrophobicContact CD1-SD 4.22Å; Y327-M381 HydrophobicContact CE1-CE 3.62Å; Y327-M381 HydrophobicContact CE1-SD 4.42Å; L330-M381 HydrophobicContact CD2-SD 4.23Å; V379-M381 PolarHBondContact O-N 3.31Å; V379-M381 VanDerWaalsContact O-N 3.11Å; M381-L386 HydrophobicContact CB-CD2 4.42Å
382	P	72.6	Confident	83.5	Confident	25 Å²	25	34.4 Å²	34.4	16%	0.162	17%	0.166	C	C	.	.			trans	-57.5	145.7	171.4	-21.2	32	0	0	0	110.1	L330 F380 Q384 T385	L330-P382 HydrophobicContact CD1-CG 3.71Å; F380-P382 WeakPolarHBondContact O-CD 3.44Å; P382-Q384 PolarHBondContact O-N 3.09Å; P382-T385 HydrophobicContact CB-CG2 4.37Å; P382-T385 HydrophobicContact CG-CG2 4.34Å; P382-T385 PolarHBondContact O-N 3.42Å; P382-T385 PolarHBondContact O-OG1 3.12Å
383	R	72.7	Confident	83.9	Confident	149 Å²	149	36.1 Å²	36.1	56%	0.562	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-57.8	-27.2	-178.3	-64.1	-171.9	-173.8	-169.7	1.4	113.4	T385 L386 N391	R383-T385 PolarHBondContact O-N 2.83Å; R383-L386 PolarHBondContact O-N 3.46Å; R383-N391 PolarHBondContact O-ND2 2.91Å
384	Q	74.8	Confident	83.8	Confident	83 Å²	83	39.2 Å²	39.2	39%	0.388	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-72.5	-12.5	178.8	-49.3	86.2	5.6	0	0	113.2	P382 A504 C506	P382-Q384 PolarHBondContact O-N 3.09Å; Q384-A504 HydrophobicContact CB-CB 4.44Å; Q384-A504 HydrophobicContact CG-CB 3.94Å; Q384-C506 PolarHBondContact O-N 2.91Å
385	T	77	Confident	83.8	Confident	6 Å²	6	40.6 Å²	40.6	4%	0.037	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-94.6	-16.1	176.3	67.5	0	0	0	0	113.5	C326 Y327 L330 P382 R383 C506	C326-T385 WeakPolarHBondContact O-CG2 3.45Å; Y327-T385 PolarHBondContact OH-O 3.01Å; Y327-T385 VanDerWaalsContact OH-O 3.07Å; L330-T385 HydrophobicContact CD1-CG2 4.14Å; P382-T385 HydrophobicContact CB-CG2 4.37Å; P382-T385 HydrophobicContact CG-CG2 4.34Å; P382-T385 PolarHBondContact O-N 3.42Å; P382-T385 PolarHBondContact O-OG1 3.12Å; R383-T385 PolarHBondContact O-N 2.83Å; T385-C506 WeakPolarHBondContact O-CB 3.35Å
386	L	82.4	Confident	84	Confident	40 Å²	40	40.4 Å²	40.4	21%	0.209	21%	0.213	C	C	.	.	S	Bend	trans	-71.7	142.6	170.4	-59.6	179.2	0	0	0	109.7	M381 R383 E390 N391 C506	M381-L386 HydrophobicContact CB-CD2 4.42Å; R383-L386 PolarHBondContact O-N 3.46Å; L386-E390 HydrophobicContact CB-CB 4.11Å; L386-N391 HydrophobicContact CB-CB 4.15Å; L386-C506 WeakPolarHBondContact O-CB 3.39Å; L386-C506 PolarHBondContact O-N 2.82Å
387	D	85.5	Confident	84.3	Confident	33 Å²	33	44 Å²	44	18%	0.176	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-65.6	166.3	169.7	72	61.3	0	0	0	111.3	V389 E390 N391	D387-V389 VanDerWaalsContact C-N 3.28Å; D387-V389 PolarHBondContact O-N 3.39Å; D387-V389 WeakPolarHBondContact OD1-CA 3.48Å; D387-V389 PolarHBondContact OD1-N 3.33Å; D387-E390 PolarHBondContact O-N 3.34Å; D387-E390 PolarHBondContact OD1-N 3.21Å; D387-E390 VanDerWaalsContact OD2-CD 3.3Å; D387-E390 WeakPolarHBondContact OD2-CG 3.08Å; D387-N391 WeakPolarHBondContact O-CB 3.26Å; D387-N391 PolarHBondContact O-N 3.1Å
388	A	89	Confident	84.5	Confident	3 Å²	3	46.2 Å²	46.2	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-59.9	-39.3	-174.3	0	0	0	0	0	112.1	N391 L392 V417 V419 A505 L510	A388-N391 PolarHBondContact O-N 3.22Å; A388-L392 WeakPolarHBondContact O-CG 3.39Å; A388-L392 PolarHBondContact O-N 3.08Å; A388-L392 VanDerWaalsContact O-N 3.09Å; A388-V417 WeakPolarHBondContact CB-O 3.46Å; A388-V419 HydrophobicContact CB-CG2 3.75Å; A388-A505 VanDerWaalsContact CA-CB 3.49Å; A388-A505 HydrophobicContact CB-CB 3.87Å; A388-L510 HydrophobicContact CB-CD2 3.94Å; A388-L510 WeakPolarHBondContact O-CD2 3.28Å
389	V	89.5	Confident	84.9	Confident	7 Å²	7	41.4 Å²	41.4	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-72.5	-40	-178.9	178.6	0	0	0	0	111.5	D387 N391 L392 H400 L403 A409 V412	D387-V389 VanDerWaalsContact C-N 3.28Å; D387-V389 PolarHBondContact O-N 3.39Å; D387-V389 WeakPolarHBondContact OD1-CA 3.48Å; D387-V389 PolarHBondContact OD1-N 3.33Å; V389-N391 VanDerWaalsContact C-N 3.34Å; V389-L392 WeakPolarHBondContact O-CB 3.49Å; V389-L392 PolarHBondContact O-N 3.47Å; V389-H400 PolarHBondContact O-CE1 3.49Å; V389-H400 PolarHBondContact O-ND1 2.89Å; V389-L403 HydrophobicContact CG1-CB 4.4Å; V389-L403 HydrophobicContact CG1-CD1 4.14Å; V389-L403 HydrophobicContact CG2-CD1 4.3Å; V389-A409 HydrophobicContact CG1-CB 3.82Å; V389-V412 HydrophobicContact CB-CG2 4.42Å; V389-V412 HydrophobicContact CG2-CG2 3.43Å; V389-V412 VanDerWaalsContact CG2-CG2 3.43Å
390	E	85.8	Confident	85.5	Confident	56 Å²	56	42.8 Å²	42.8	26%	0.262	23%	0.226	S	C	.	.	H	α-helix	trans	-60.3	-44.4	172.3	-72.9	-179.7	166.3	0	0	111.3	L386 D387 L392 A393	L386-E390 HydrophobicContact CB-CB 4.11Å; D387-E390 PolarHBondContact O-N 3.34Å; D387-E390 PolarHBondContact OD1-N 3.21Å; D387-E390 VanDerWaalsContact OD2-CD 3.3Å; D387-E390 WeakPolarHBondContact OD2-CG 3.08Å; E390-L392 VanDerWaalsContact C-N 3.26Å; E390-L392 PolarHBondContact O-N 2.87Å; E390-A393 WeakPolarHBondContact O-CB 3.22Å; E390-A393 PolarHBondContact O-N 2.7Å
391	N	87.3	Confident	86.4	Confident	4 Å²	4	44 Å²	44	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-67.3	-24.9	-179.4	-162.5	10.8	0	0	0	112.7	R383 L386 D387 A388 V389 A393 S394 A504 L510	R383-N391 PolarHBondContact O-ND2 2.91Å; L386-N391 HydrophobicContact CB-CB 4.15Å; D387-N391 WeakPolarHBondContact O-CB 3.26Å; D387-N391 PolarHBondContact O-N 3.1Å; A388-N391 PolarHBondContact O-N 3.22Å; V389-N391 VanDerWaalsContact C-N 3.34Å; N391-A393 PolarHBondContact O-N 3.5Å; N391-S394 PolarHBondContact O-N 2.91Å; N391-S394 PolarHBondContact O-OG 3.1Å; N391-A504 PolarHBondContact ND2-O 3.46Å; N391-A504 VanDerWaalsContact ND2-O 3.12Å; N391-L510 HydrophobicContact CB-CD1 4.02Å
392	L	90.4	Very high	87.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-29.9	174.1	-74.4	169.1	0	0	0	113.2	A388 V389 E390 S394 T395 A396 M399 H400 L403 V419 I421 L510	A388-L392 WeakPolarHBondContact O-CG 3.39Å; A388-L392 PolarHBondContact O-N 3.08Å; A388-L392 VanDerWaalsContact O-N 3.09Å; V389-L392 WeakPolarHBondContact O-CB 3.49Å; V389-L392 PolarHBondContact O-N 3.47Å; E390-L392 VanDerWaalsContact C-N 3.26Å; E390-L392 PolarHBondContact O-N 2.87Å; L392-S394 PolarHBondContact O-N 3.46Å; L392-T395 PolarHBondContact O-N 2.82Å; L392-A396 HydrophobicContact CD2-CB 4.22Å; L392-A396 CarbonylContact O-C 3.59Å; L392-A396 VanDerWaalsContact O-C 3.25Å; L392-A396 WeakPolarHBondContact O-CA 3.29Å; L392-A396 PolarHBondContact O-N 3.32Å; L392-M399 HydrophobicContact CD2-SD 4.43Å; L392-H400 HydrophobicContact CB-CB 3.94Å; L392-L403 HydrophobicContact CD1-CD1 3.4Å; L392-V419 HydrophobicContact CD1-CB 4.48Å; L392-V419 HydrophobicContact CD1-CG1 3.95Å; L392-V419 HydrophobicContact CD1-CG2 4.14Å; L392-V419 HydrophobicContact CD2-CG1 4.07Å; L392-V419 HydrophobicContact CG-CG1 4.48Å; L392-I421 HydrophobicContact CD2-CD1 3.57Å; L392-I421 HydrophobicContact CD2-CG1 3.65Å; L392-L510 HydrophobicContact CD2-CD2 3.75Å; L392-L510 HydrophobicContact CG-CD2 3.96Å
393	A	89.3	Confident	88.5	Confident	46 Å²	46	41.7 Å²	41.7	38%	0.38	23%	0.226	S	C	.	.	H	α-helix	trans	-55.4	-32.3	-177.9	0	0	0	0	0	112.2	E390 N391 P397 H400	E390-A393 WeakPolarHBondContact O-CB 3.22Å; E390-A393 PolarHBondContact O-N 2.7Å; N391-A393 PolarHBondContact O-N 3.5Å; A393-P397 WeakPolarHBondContact O-CB 3.47Å; A393-H400 HydrophobicContact CB-CB 4.46Å
394	S	84.7	Confident	89.6	Confident	65 Å²	65	38.2 Å²	38.2	46%	0.455	22%	0.221	S	C	.	.	H	α-helix	trans	-83.7	-24.7	179.5	72.5	0	0	0	0	114.6	N391 L392	N391-S394 PolarHBondContact O-N 2.91Å; N391-S394 PolarHBondContact O-OG 3.1Å; L392-S394 PolarHBondContact O-N 3.46Å
395	T	88.3	Confident	90.5	Very high	50 Å²	50	39 Å²	39	31%	0.307	23%	0.225	S	C	.	.	H	α-helix	trans	-110.7	-39.4	-169.1	-55.7	0	0	0	0	112.2	L392 I421 W501	L392-T395 PolarHBondContact O-N 2.82Å; T395-I421 HydrophobicContact CG2-CD1 4.15Å; T395-W501 HydrophobicContact CG2-CH2 3.66Å; T395-W501 HydrophobicContact CG2-CZ3 3.71Å
396	A	93.2	Very high	91.4	Very high	16 Å²	16	39.5 Å²	39.5	13%	0.132	23%	0.227	C	C	.	.			trans	-139.1	67.5	-179.9	0	0	0	0	0	110.1	L392 K398 M399 H400 I421	L392-A396 HydrophobicContact CD2-CB 4.22Å; L392-A396 CarbonylContact O-C 3.59Å; L392-A396 VanDerWaalsContact O-C 3.25Å; L392-A396 WeakPolarHBondContact O-CA 3.29Å; L392-A396 PolarHBondContact O-N 3.32Å; A396-K398 VanDerWaalsContact C-N 3.3Å; A396-K398 PolarHBondContact O-N 2.99Å; A396-M399 HydrophobicContact CB-CB 4.08Å; A396-M399 PolarHBondContact O-N 2.65Å; A396-H400 PolarHBondContact O-N 3.48Å; A396-I421 HydrophobicContact CB-CG2 3.76Å
397	P	94.1	Very high	92	Very high	80 Å²	80	38.7 Å²	38.7	52%	0.519	23%	0.229	S	C	.	.	H	α-helix	trans	-57.6	-37.1	-172.1	19.8	-32.5	0	0	0	113.8	A393 H400 S401	A393-P397 WeakPolarHBondContact O-CB 3.47Å; P397-H400 PolarHBondContact O-N 2.83Å; P397-S401 PolarHBondContact O-N 3.36Å; P397-S401 PolarHBondContact O-OG 3.07Å
398	K	94.9	Very high	92.5	Very high	110 Å²	110	37.3 Å²	37.3	48%	0.478	22%	0.222	S	C	.	.	H	α-helix	trans	-64.2	-40.4	176.5	-66.4	-174	-178.4	-176.1	0	112.5	A396 S401 M402 I427 E428	A396-K398 VanDerWaalsContact C-N 3.3Å; A396-K398 PolarHBondContact O-N 2.99Å; K398-S401 PolarHBondContact O-OG 3.43Å; K398-M402 WeakPolarHBondContact O-CG 3.45Å; K398-M402 PolarHBondContact O-N 2.59Å; K398-I427 HydrophobicContact CB-CG2 3.89Å; K398-E428 HydrophobicContact CD-CG 4.45Å; K398-E428 IonicContact NZ-OE1 3.44Å; K398-E428 PolarHBondContact NZ-OE1 2.77Å
399	M	96.2	Very high	92.7	Very high	2 Å²	2	38 Å²	38	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-68.5	-43.1	176.5	-174.1	-178	-176.3	0	0	110.3	L392 A396 S401 M402 L403 V419 I427 L442 Y445	L392-M399 HydrophobicContact CD2-SD 4.43Å; A396-M399 HydrophobicContact CB-CB 4.08Å; A396-M399 PolarHBondContact O-N 2.65Å; M399-S401 PolarHBondContact O-N 2.91Å; M399-M402 PolarHBondContact O-N 3.12Å; M399-L403 HydrophobicContact CG-CD1 4.32Å; M399-L403 WeakPolarHBondContact O-CG 3.27Å; M399-L403 PolarHBondContact O-N 3.29Å; M399-V419 HydrophobicContact CE-CG1 3.64Å; M399-V419 HydrophobicContact SD-CG1 4.21Å; M399-I427 HydrophobicContact CB-CD1 4.02Å; M399-I427 HydrophobicContact CB-CG1 4.29Å; M399-I427 HydrophobicContact CG-CD1 3.91Å; M399-I427 HydrophobicContact SD-CD1 4.27Å; M399-L442 HydrophobicContact CE-CD2 4.19Å; M399-L442 HydrophobicContact CG-CD2 4.16Å; M399-Y445 HydrophobicContact CE-CG 4.49Å
400	H	95.5	Very high	92.7	Very high	47 Å²	47	43.2 Å²	43.2	22%	0.218	26%	0.255	C	S	.	.	H	α-helix	trans	-55.8	-49.1	174.7	176.4	80.7	0	0	0	111.6	V389 L392 A393 A396 P397 M402 L403 V404	V389-H400 PolarHBondContact O-CE1 3.49Å; V389-H400 PolarHBondContact O-ND1 2.89Å; L392-H400 HydrophobicContact CB-CB 3.94Å; A393-H400 HydrophobicContact CB-CB 4.46Å; A396-H400 PolarHBondContact O-N 3.48Å; P397-H400 PolarHBondContact O-N 2.83Å; H400-M402 VanDerWaalsContact C-N 3.32Å; H400-M402 PolarHBondContact O-N 3.19Å; H400-L403 PolarHBondContact O-N 3.02Å; H400-V404 WeakPolarHBondContact O-CG2 3.46Å; H400-V404 PolarHBondContact O-N 2.57Å
401	S	95.4	Very high	92.8	Very high	63 Å²	63	42 Å²	42	44%	0.441	25%	0.254	S	S	.	.	H	α-helix	trans	-60.9	-39.8	179.2	59.5	0	0	0	0	112.5	P397 K398 M399 V404 E405	P397-S401 PolarHBondContact O-N 3.36Å; P397-S401 PolarHBondContact O-OG 3.07Å; K398-S401 PolarHBondContact O-OG 3.43Å; M399-S401 PolarHBondContact O-N 2.91Å; S401-V404 PolarHBondContact O-N 3.27Å; S401-E405 WeakPolarHBondContact O-CB 3.47Å; S401-E405 PolarHBondContact O-N 3.1Å
402	M	96.3	Very high	92.9	Very high	15 Å²	15	42.1 Å²	42.1	7%	0.074	26%	0.255	C	S	.	.	H	α-helix	trans	-69.5	-34.9	176.8	-66.3	-179.5	-175.6	0	0	112.6	K398 M399 H400 V404 E405 T406 I427 L430 A431 L442	K398-M402 WeakPolarHBondContact O-CG 3.45Å; K398-M402 PolarHBondContact O-N 2.59Å; M399-M402 PolarHBondContact O-N 3.12Å; H400-M402 VanDerWaalsContact C-N 3.32Å; H400-M402 PolarHBondContact O-N 3.19Å; M402-V404 VanDerWaalsContact C-N 3.3Å; M402-V404 PolarHBondContact O-N 2.84Å; M402-E405 PolarHBondContact O-N 3.05Å; M402-T406 WeakPolarHBondContact O-CB 3.35Å; M402-T406 VanDerWaalsContact O-CG2 3.24Å; M402-T406 WeakPolarHBondContact O-CG2 3.47Å; M402-T406 PolarHBondContact O-N 2.93Å; M402-T406 PolarHBondContact O-OG1 2.75Å; M402-I427 HydrophobicContact CE-CG2 3.86Å; M402-I427 WeakPolarHBondContact CE-O 3.49Å; M402-I427 HydrophobicContact SD-CG2 3.84Å; M402-L430 HydrophobicContact SD-CB 4.25Å; M402-A431 HydrophobicContact CE-CB 4.23Å; M402-L442 HydrophobicContact CB-CD1 3.64Å
403	L	96	Very high	92.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-36.6	174.4	-73.2	172.3	0	0	0	111.9	V389 L392 M399 H400 T406 G407 L408 A409 L442 L446	V389-L403 HydrophobicContact CG1-CB 4.4Å; V389-L403 HydrophobicContact CG1-CD1 4.14Å; V389-L403 HydrophobicContact CG2-CD1 4.3Å; L392-L403 HydrophobicContact CD1-CD1 3.4Å; M399-L403 HydrophobicContact CG-CD1 4.32Å; M399-L403 WeakPolarHBondContact O-CG 3.27Å; M399-L403 PolarHBondContact O-N 3.29Å; H400-L403 PolarHBondContact O-N 3.02Å; L403-T406 PolarHBondContact O-OG1 3.21Å; L403-G407 PolarHBondContact O-N 2.92Å; L403-L408 HydrophobicContact CD2-CB 3.69Å; L403-L408 HydrophobicContact CD2-CD1 3.73Å; L403-L408 HydrophobicContact CD2-CG 4.38Å; L403-L408 PolarHBondContact O-N 3.01Å; L403-A409 PolarHBondContact O-N 3.3Å; L403-L442 HydrophobicContact CD2-CB 4.04Å; L403-L442 HydrophobicContact CD2-CD1 4.2Å; L403-L446 HydrophobicContact CD2-CD1 3.92Å
404	V	95.1	Very high	91.7	Very high	77 Å²	77	51 Å²	51	47%	0.467	29%	0.287	S	S	.	.	H	α-helix	trans	-69.5	-51.5	173.2	175.6	0	0	0	0	110.5	H400 S401 M402 T406 G407 A409	H400-V404 WeakPolarHBondContact O-CG2 3.46Å; H400-V404 PolarHBondContact O-N 2.57Å; S401-V404 PolarHBondContact O-N 3.27Å; M402-V404 VanDerWaalsContact C-N 3.3Å; M402-V404 PolarHBondContact O-N 2.84Å; V404-T406 VanDerWaalsContact C-N 3.26Å; V404-T406 PolarHBondContact O-N 3.34Å; V404-G407 PolarHBondContact O-N 2.75Å; V404-A409 HydrophobicContact CG2-CB 3.94Å
405	E	95.3	Very high	91.6	Very high	100 Å²	100	53.4 Å²	53.4	47%	0.467	29%	0.29	S	S	.	.	H	α-helix	trans	-54.7	-41.1	179.8	-175.6	-170.4	178.6	0	0	112.4	S401 M402 G407 N435 K438	S401-E405 WeakPolarHBondContact O-CB 3.47Å; S401-E405 PolarHBondContact O-N 3.1Å; M402-E405 PolarHBondContact O-N 3.05Å; E405-G407 VanDerWaalsContact C-N 3.31Å; E405-G407 PolarHBondContact O-N 3.17Å; E405-N435 PolarHBondContact OE1-OD1 2.83Å; E405-N435 VanDerWaalsContact OE1-OD1 3.13Å; E405-K438 IonicContact OE1-NZ 3.17Å; E405-K438 PolarHBondContact OE1-NZ 2.98Å; E405-K438 VanDerWaalsContact OE1-NZ 3.14Å; E405-K438 IonicContact OE2-NZ 2.73Å; E405-K438 PolarHBondContact OE2-NZ 3.04Å
406	T	96.4	Very high	91.4	Very high	15 Å²	15	54.6 Å²	54.6	9%	0.092	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-6.5	-179.1	56.4	0	0	0	0	113.7	M402 L403 V404 L408 K438 R439 L442	M402-T406 WeakPolarHBondContact O-CB 3.35Å; M402-T406 VanDerWaalsContact O-CG2 3.24Å; M402-T406 WeakPolarHBondContact O-CG2 3.47Å; M402-T406 PolarHBondContact O-N 2.93Å; M402-T406 PolarHBondContact O-OG1 2.75Å; L403-T406 PolarHBondContact O-OG1 3.21Å; V404-T406 VanDerWaalsContact C-N 3.26Å; V404-T406 PolarHBondContact O-N 3.34Å; T406-L408 VanDerWaalsContact C-N 3.28Å; T406-L408 PolarHBondContact O-N 3.44Å; T406-K438 HydrophobicContact CG2-CB 3.66Å; T406-K438 HydrophobicContact CG2-CD 4.48Å; T406-R439 HydrophobicContact CG2-CB 4.15Å; T406-R439 PolarHBondContact O-NH1 3.18Å; T406-L442 HydrophobicContact CG2-CD1 4.49Å
407	G	95	Very high	91.4	Very high	24 Å²	24	54.1 Å²	54.1	25%	0.247	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	19.7	-174.3	0	0	0	0	0	113.9	L403 V404 E405 A411 R439	L403-G407 PolarHBondContact O-N 2.92Å; V404-G407 PolarHBondContact O-N 2.75Å; E405-G407 VanDerWaalsContact C-N 3.31Å; E405-G407 PolarHBondContact O-N 3.17Å; G407-A411 PolarHBondContact O-N 3.36Å; G407-R439 PolarHBondContact O-NH1 3.45Å
408	L	94.7	Very high	91.4	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-76.7	-34.7	173.6	-80.3	171.1	0	0	0	111.5	L403 T406 D410 A411 V412 R439 L442 S443 L446	L403-L408 HydrophobicContact CD2-CB 3.69Å; L403-L408 HydrophobicContact CD2-CD1 3.73Å; L403-L408 HydrophobicContact CD2-CG 4.38Å; L403-L408 PolarHBondContact O-N 3.01Å; T406-L408 VanDerWaalsContact C-N 3.28Å; T406-L408 PolarHBondContact O-N 3.44Å; L408-D410 VanDerWaalsContact C-N 3.32Å; L408-D410 PolarHBondContact O-N 3.04Å; L408-A411 WeakPolarHBondContact O-CB 3.39Å; L408-A411 PolarHBondContact O-N 3.35Å; L408-V412 WeakPolarHBondContact O-CG2 3.45Å; L408-V412 PolarHBondContact O-N 2.91Å; L408-R439 HydrophobicContact CD1-CG 4.1Å; L408-R439 HydrophobicContact CD2-CG 4.12Å; L408-R439 HydrophobicContact CG-CG 3.97Å; L408-L442 HydrophobicContact CD1-CB 3.61Å; L408-S443 WeakPolarHBondContact CD2-OG 3.44Å; L408-L446 HydrophobicContact CB-CD1 4.34Å; L408-L446 HydrophobicContact CD1-CD1 4.36Å; L408-L446 HydrophobicContact CD2-CD1 4.4Å
409	A	92.7	Very high	91.4	Very high	17 Å²	17	45.1 Å²	45.1	14%	0.14	25%	0.248	C	C	.	.	H	α-helix	trans	-54.4	-47.7	175.5	0	0	0	0	0	111.6	V389 L403 V404 V412 K413	V389-A409 HydrophobicContact CG1-CB 3.82Å; L403-A409 PolarHBondContact O-N 3.3Å; V404-A409 HydrophobicContact CG2-CB 3.94Å; A409-V412 WeakPolarHBondContact O-CG2 3.48Å; A409-V412 PolarHBondContact O-N 3.28Å; A409-K413 PolarHBondContact O-N 2.78Å; A409-K413 VanDerWaalsContact O-N 3.07Å
410	D	90.5	Very high	91.5	Very high	117 Å²	117	45 Å²	45	63%	0.626	25%	0.248	S	C	*	.	H	α-helix	trans	-67.4	-35.8	175.5	-69.3	-39.3	0	0	0	112.6	L408 V412 K413	L408-D410 VanDerWaalsContact C-N 3.32Å; L408-D410 PolarHBondContact O-N 3.04Å; D410-V412 PolarHBondContact O-N 2.99Å; D410-K413 WeakPolarHBondContact O-CB 3.42Å; D410-K413 PolarHBondContact O-N 3.11Å
411	A	88	Confident	91.5	Very high	30 Å²	30	43.1 Å²	43.1	25%	0.248	24%	0.239	C	C	.	.	H	α-helix	trans	-67.2	-23.5	179.4	0	0	0	0	0	113.4	G407 L408 K415	G407-A411 PolarHBondContact O-N 3.36Å; L408-A411 WeakPolarHBondContact O-CB 3.39Å; L408-A411 PolarHBondContact O-N 3.35Å; A411-K415 WeakPolarHBondContact O-CE 3.37Å; A411-K415 PolarHBondContact O-NZ 3.09Å
412	V	88.2	Confident	91.6	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-105	-3.1	177	-56.7	0	0	0	0	114.2	V389 L408 A409 D410 E414 K415 V417 L446 M464	V389-V412 HydrophobicContact CB-CG2 4.42Å; V389-V412 HydrophobicContact CG2-CG2 3.43Å; V389-V412 VanDerWaalsContact CG2-CG2 3.43Å; L408-V412 WeakPolarHBondContact O-CG2 3.45Å; L408-V412 PolarHBondContact O-N 2.91Å; A409-V412 WeakPolarHBondContact O-CG2 3.48Å; A409-V412 PolarHBondContact O-N 3.28Å; D410-V412 PolarHBondContact O-N 2.99Å; V412-E414 PolarHBondContact O-N 3.33Å; V412-K415 WeakPolarHBondContact O-CB 3.37Å; V412-K415 PolarHBondContact O-N 3.39Å; V412-V417 HydrophobicContact CB-CB 4.36Å; V412-V417 HydrophobicContact CB-CG1 4.47Å; V412-V417 HydrophobicContact CB-CG2 3.98Å; V412-V417 HydrophobicContact CG1-CG1 4.37Å; V412-V417 HydrophobicContact CG1-CG2 4.14Å; V412-L446 HydrophobicContact CG1-CD1 4.07Å; V412-M464 HydrophobicContact CG1-CE 3.79Å; V412-M464 HydrophobicContact CG1-SD 3.22Å; V412-M464 WeakPolarHBondContact CG1-SD 3.35Å
413	K	82.1	Confident	91.5	Very high	97 Å²	97	40 Å²	40	42%	0.422	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	135.3	177.1	-163.2	172.8	-174.4	169.3	0	110.3	A409 D410 K415	A409-K413 PolarHBondContact O-N 2.78Å; A409-K413 VanDerWaalsContact O-N 3.07Å; D410-K413 WeakPolarHBondContact O-CB 3.42Å; D410-K413 PolarHBondContact O-N 3.11Å; K413-K415 PolarHBondContact O-N 3.08Å
414	E	73	Confident	91.4	Very high	136 Å²	136	44.1 Å²	44.1	64%	0.636	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	2.3	-176.9	-59	176.9	176.5	0	0	116.3	V412	V412-E414 PolarHBondContact O-N 3.33Å
415	K	82.1	Confident	91.4	Very high	116 Å²	116	45.8 Å²	45.8	50%	0.504	24%	0.244	S	C	.	.	S	Bend	trans	-92	144.5	172.6	-60.2	-179.2	-175.5	164.3	0	110.2	A411 V412 K413 V417	A411-K415 WeakPolarHBondContact O-CE 3.37Å; A411-K415 PolarHBondContact O-NZ 3.09Å; V412-K415 WeakPolarHBondContact O-CB 3.37Å; V412-K415 PolarHBondContact O-N 3.39Å; K413-K415 PolarHBondContact O-N 3.08Å; K415-V417 HydrophobicContact CB-CG2 3.77Å; K415-V417 PolarHBondContact O-N 2.87Å
416	S	85	Confident	91.4	Very high	75 Å²	75	41.7 Å²	41.7	52%	0.524	23%	0.227	S	C	.	.			trans	-71.3	90.2	168.6	-67.1	0	0	0	0	109.7	S448 G507	S416-S448 WeakPolarHBondContact O-CA 3.36Å; S416-S448 PolarHBondContact O-OG 3.3Å; S416-G507 CarbonylContact C-O 3.55Å; S416-G507 VanDerWaalsContact C-O 3.3Å; S416-G507 WeakPolarHBondContact CA-O 3.43Å; S416-G507 WeakPolarHBondContact CB-O 3.35Å
417	V	92.5	Very high	91.3	Very high	6 Å²	6	41.3 Å²	41.3	4%	0.036	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	133.1	-176	173.2	0	0	0	0	110.4	A388 V412 K415 L446 F447 G508	A388-V417 WeakPolarHBondContact CB-O 3.46Å; V412-V417 HydrophobicContact CB-CB 4.36Å; V412-V417 HydrophobicContact CB-CG1 4.47Å; V412-V417 HydrophobicContact CB-CG2 3.98Å; V412-V417 HydrophobicContact CG1-CG1 4.37Å; V412-V417 HydrophobicContact CG1-CG2 4.14Å; K415-V417 HydrophobicContact CB-CG2 3.77Å; K415-V417 PolarHBondContact O-N 2.87Å; V417-L446 HydrophobicContact CG1-CB 4.15Å; V417-L446 HydrophobicContact CG1-CD2 4.24Å; V417-F447 CarbonylContact C-O 3.55Å; V417-F447 WeakPolarHBondContact CA-O 3.35Å; V417-G508 WeakPolarHBondContact O-CA 3.42Å
418	S	94.5	Very high	91.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	151.1	168.8	-69.6	0	0	0	0	110.2	F447 G449 T509	S418-F447 PolarHBondContact N-O 3.37Å; S418-F447 PolarHBondContact O-N 2.89Å; S418-F447 VanDerWaalsContact O-N 3.11Å; S418-G449 WeakPolarHBondContact CB-O 3.47Å; S418-G449 PolarHBondContact OG-O 3.07Å; S418-T509 CarbonylContact C-O 3.43Å; S418-T509 VanDerWaalsContact CA-O 3.24Å; S418-T509 WeakPolarHBondContact CA-O 3.47Å; S418-T509 VanDerWaalsContact CB-O 3.28Å; S418-T509 WeakPolarHBondContact CB-O 3.42Å; S418-T509 PolarHBondContact OG-N 3.26Å
419	V	96.1	Very high	91.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.2	-176.1	-173.6	0	0	0	0	109.8	A388 L392 M399 I421 Y445 L446 T509 L510 Y511	A388-V419 HydrophobicContact CB-CG2 3.75Å; L392-V419 HydrophobicContact CD1-CB 4.48Å; L392-V419 HydrophobicContact CD1-CG1 3.95Å; L392-V419 HydrophobicContact CD1-CG2 4.14Å; L392-V419 HydrophobicContact CD2-CG1 4.07Å; L392-V419 HydrophobicContact CG-CG1 4.48Å; M399-V419 HydrophobicContact CE-CG1 3.64Å; M399-V419 HydrophobicContact SD-CG1 4.21Å; V419-I421 HydrophobicContact CG1-CG1 4.33Å; V419-Y445 WeakPolarHBondContact CA-O 3.42Å; V419-L446 HydrophobicContact CB-CD2 4.28Å; V419-L446 HydrophobicContact CG1-CD2 4.03Å; V419-L446 HydrophobicContact CG2-CD2 3.7Å; V419-T509 PolarHBondContact N-O 2.85Å; V419-L510 HydrophobicContact CB-CD2 3.72Å; V419-L510 HydrophobicContact CG2-CD2 3.95Å; V419-Y511 PolarHBondContact O-N 2.97Å
420	L	96.9	Very high	91.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	117.8	163.7	-61.2	179.9	0	0	0	108.5	P422 Y445 F447 I451 L469 V493 L498 Y511 M513 L517	L420-P422 VanDerWaalsContact O-CD 3.23Å; L420-P422 WeakPolarHBondContact O-CD 3.42Å; L420-Y445 HydrophobicContact CB-CD1 3.84Å; L420-Y445 PolarHBondContact N-O 3.48Å; L420-Y445 WeakPolarHBondContact O-CB 3.17Å; L420-Y445 WeakPolarHBondContact O-CD1 3.42Å; L420-F447 HydrophobicContact CD1-CE1 4.41Å; L420-F447 HydrophobicContact CD2-CE1 3.72Å; L420-F447 HydrophobicContact CD2-CZ 4.44Å; L420-F447 HydrophobicContact CG-CD1 4.15Å; L420-F447 HydrophobicContact CG-CE1 3.71Å; L420-I451 HydrophobicContact CD2-CD1 4.2Å; L420-L469 HydrophobicContact CD1-CD1 4.21Å; L420-V493 HydrophobicContact CD1-CB 4.46Å; L420-V493 HydrophobicContact CD1-CG1 4.06Å; L420-V493 HydrophobicContact CD1-CG2 4.47Å; L420-V493 HydrophobicContact CD2-CG2 4.28Å; L420-L498 HydrophobicContact CD2-CD2 4.15Å; L420-Y511 CarbonylContact C-O 3.47Å; L420-Y511 WeakPolarHBondContact CA-O 3.09Å; L420-Y511 HydrophobicContact CD2-CD2 4.23Å; L420-Y511 HydrophobicContact CD2-CG 4.36Å; L420-M513 HydrophobicContact CB-CG 4.23Å; L420-M513 HydrophobicContact CB-SD 3.72Å; L420-M513 HydrophobicContact CD1-SD 4.23Å; L420-M513 HydrophobicContact CG-SD 4.41Å; L420-L517 HydrophobicContact CD1-CD1 4.01Å; L420-L517 HydrophobicContact CD1-CD2 4.27Å; L420-L517 HydrophobicContact CD1-CG 4.39Å
421	I	96.6	Very high	91.3	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.036	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	105.1	179.6	-54.6	175.6	0	0	0	107.9	L392 T395 A396 V419 W501 L510 Y511 M513	L392-I421 HydrophobicContact CD2-CD1 3.57Å; L392-I421 HydrophobicContact CD2-CG1 3.65Å; T395-I421 HydrophobicContact CG2-CD1 4.15Å; A396-I421 HydrophobicContact CB-CG2 3.76Å; V419-I421 HydrophobicContact CG1-CG1 4.33Å; I421-W501 HydrophobicContact CD1-CZ3 4.43Å; I421-L510 HydrophobicContact CD1-CB 4.02Å; I421-L510 HydrophobicContact CD1-CD1 4.43Å; I421-L510 HydrophobicContact CD1-CD2 4.36Å; I421-Y511 PolarHBondContact N-O 3.17Å; I421-M513 WeakPolarHBondContact O-CB 3.23Å; I421-M513 PolarHBondContact O-N 3.1Å
422	P	96	Very high	91.5	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.026	28%	0.278	C	S	.	.			trans	-68.1	163	176.1	31.5	-35.7	0	0	0	111	L420 A426 I427 Y445	L420-P422 VanDerWaalsContact O-CD 3.23Å; L420-P422 WeakPolarHBondContact O-CD 3.42Å; P422-A426 HydrophobicContact CB-CB 4.08Å; P422-I427 HydrophobicContact CG-CD1 3.4Å; P422-I427 VanDerWaalsContact CG-CD1 3.4Å; P422-I427 HydrophobicContact CG-CG1 3.84Å; P422-Y445 HydrophobicContact CB-CD1 4.28Å; P422-Y445 HydrophobicContact CB-CE1 3.67Å; P422-Y445 HydrophobicContact CG-CD1 4.16Å; P422-Y445 HydrophobicContact CG-CE1 3.93Å
423	P	94.7	Very high	91.8	Very high	9 Å²	9	57.2 Å²	57.2	6%	0.058	30%	0.296	C	S	.	.			trans	-61.8	151.5	175.1	27.3	-35.4	0	0	0	111.4	Y425 A426	P423-Y425 VanDerWaalsContact C-N 3.3Å; P423-Y425 HydrophobicContact CB-CD1 3.8Å; P423-Y425 HydrophobicContact CB-CE1 3.39Å; P423-Y425 HydrophobicContact CG-CD1 4.01Å; P423-Y425 HydrophobicContact CG-CE1 3.3Å; P423-Y425 HydrophobicContact CG-CE2 4.07Å; P423-Y425 WeakPolarHBondContact CG-OH 3.45Å; P423-Y425 PolarHBondContact O-N 3.31Å; P423-Y425 VanDerWaalsContact O-N 3.11Å; P423-A426 HydrophobicContact CG-CB 4.37Å; P423-A426 WeakPolarHBondContact O-CB 3.38Å; P423-A426 PolarHBondContact O-N 3.26Å
424	P	94.6	Very high	92.5	Very high	86 Å²	86	55.2 Å²	55.2	56%	0.558	29%	0.294	S	S	*	.	H	α-helix	trans	-53.2	-38.7	-171	-30.3	35.8	0	0	0	115.6	A426 I427 E428	P424-A426 PolarHBondContact O-N 3.43Å; P424-I427 PolarHBondContact O-N 3.11Å; P424-I427 VanDerWaalsContact O-N 3.08Å; P424-E428 WeakPolarHBondContact O-CG 3.19Å; P424-E428 PolarHBondContact O-N 3.16Å
425	Y	94.9	Very high	93.5	Very high	113 Å²	113	52.5 Å²	52.5	44%	0.443	28%	0.284	S	S	.	.	H	α-helix	trans	-59.4	-35.4	179.2	64.9	-98.2	0	0	0	112.6	P423 I427 E428 D429 P516	P423-Y425 VanDerWaalsContact C-N 3.3Å; P423-Y425 HydrophobicContact CB-CD1 3.8Å; P423-Y425 HydrophobicContact CB-CE1 3.39Å; P423-Y425 HydrophobicContact CG-CD1 4.01Å; P423-Y425 HydrophobicContact CG-CE1 3.3Å; P423-Y425 HydrophobicContact CG-CE2 4.07Å; P423-Y425 WeakPolarHBondContact CG-OH 3.45Å; P423-Y425 PolarHBondContact O-N 3.31Å; P423-Y425 VanDerWaalsContact O-N 3.11Å; Y425-I427 VanDerWaalsContact C-N 3.28Å; Y425-I427 PolarHBondContact O-N 3.47Å; Y425-E428 PolarHBondContact O-N 2.96Å; Y425-E428 VanDerWaalsContact O-N 3.17Å; Y425-D429 VanDerWaalsContact O-CG 3.28Å; Y425-D429 PolarHBondContact O-N 3.37Å; Y425-P516 HydrophobicContact CE2-CG 4.32Å; Y425-P516 WeakPolarHBondContact OH-CD 3.27Å
426	A	94.3	Very high	94.2	Very high	13 Å²	13	51.7 Å²	51.7	11%	0.107	29%	0.288	C	S	.	.	H	α-helix	trans	-71.1	-25.8	-180	0	0	0	0	0	112.4	P422 P423 P424 P516	P422-A426 HydrophobicContact CB-CB 4.08Å; P423-A426 HydrophobicContact CG-CB 4.37Å; P423-A426 WeakPolarHBondContact O-CB 3.38Å; P423-A426 PolarHBondContact O-N 3.26Å; P424-A426 PolarHBondContact O-N 3.43Å; A426-P516 HydrophobicContact CB-CB 3.82Å; A426-P516 HydrophobicContact CB-CG 4.21Å
427	I	94.7	Very high	94.7	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.036	28%	0.284	C	S	.	.	H	α-helix	trans	-77.7	-37.1	171.2	-60.9	-60.2	0	0	0	110.2	K398 M399 M402 P422 P424 Y425 D429 L430 L442	K398-I427 HydrophobicContact CB-CG2 3.89Å; M399-I427 HydrophobicContact CB-CD1 4.02Å; M399-I427 HydrophobicContact CB-CG1 4.29Å; M399-I427 HydrophobicContact CG-CD1 3.91Å; M399-I427 HydrophobicContact SD-CD1 4.27Å; M402-I427 HydrophobicContact CE-CG2 3.86Å; M402-I427 WeakPolarHBondContact CE-O 3.49Å; M402-I427 HydrophobicContact SD-CG2 3.84Å; P422-I427 HydrophobicContact CG-CD1 3.4Å; P422-I427 VanDerWaalsContact CG-CD1 3.4Å; P422-I427 HydrophobicContact CG-CG1 3.84Å; P424-I427 PolarHBondContact O-N 3.11Å; P424-I427 VanDerWaalsContact O-N 3.08Å; Y425-I427 VanDerWaalsContact C-N 3.28Å; Y425-I427 PolarHBondContact O-N 3.47Å; I427-D429 VanDerWaalsContact C-N 3.35Å; I427-L430 WeakPolarHBondContact O-CB 3.44Å; I427-L430 PolarHBondContact O-N 2.74Å; I427-L430 VanDerWaalsContact O-N 3.16Å; I427-L442 HydrophobicContact CD1-CD2 4.19Å
428	E	94.3	Very high	94.9	Very high	93 Å²	93	52.9 Å²	52.9	44%	0.435	29%	0.285	S	S	.	.	H	α-helix	trans	-64.5	-38.3	178.1	-70.2	172.3	175.4	0	0	112.1	K398 P424 Y425 L430 A431	K398-E428 HydrophobicContact CD-CG 4.45Å; K398-E428 IonicContact NZ-OE1 3.44Å; K398-E428 PolarHBondContact NZ-OE1 2.77Å; P424-E428 WeakPolarHBondContact O-CG 3.19Å; P424-E428 PolarHBondContact O-N 3.16Å; Y425-E428 PolarHBondContact O-N 2.96Å; Y425-E428 VanDerWaalsContact O-N 3.17Å; E428-L430 PolarHBondContact O-N 2.04Å; E428-A431 VanDerWaalsContact O-CB 3.24Å; E428-A431 WeakPolarHBondContact O-CB 3.13Å; E428-A431 PolarHBondContact O-N 2.78Å
429	D	93.5	Very high	95	Very high	116 Å²	116	57.2 Å²	57.2	62%	0.62	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.6	174.4	-68.1	-21.4	0	0	0	113.8	Y425 I427	Y425-D429 VanDerWaalsContact O-CG 3.28Å; Y425-D429 PolarHBondContact O-N 3.37Å; I427-D429 VanDerWaalsContact C-N 3.35Å
430	L	94.1	Very high	94.9	Very high	14 Å²	14	62 Å²	62	7%	0.073	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-9.8	176.4	-61.1	176.9	0	0	0	113.7	M402 I427 E428 D432 K433 K438 E441 L442	M402-L430 HydrophobicContact SD-CB 4.25Å; I427-L430 WeakPolarHBondContact O-CB 3.44Å; I427-L430 PolarHBondContact O-N 2.74Å; I427-L430 VanDerWaalsContact O-N 3.16Å; E428-L430 PolarHBondContact O-N 2.04Å; L430-D432 VanDerWaalsContact C-N 3.31Å; L430-D432 PolarHBondContact O-N 3.42Å; L430-K433 HydrophobicContact CD2-CD 4.24Å; L430-K433 PolarHBondContact O-N 3.05Å; L430-K438 WeakPolarHBondContact O-CE 3.49Å; L430-K438 WeakPolarHBondContact O-CG 2.99Å; L430-E441 HydrophobicContact CD1-CB 4.13Å; L430-E441 HydrophobicContact CD1-CG 3.75Å; L430-E441 HydrophobicContact CD2-CB 4.06Å; L430-E441 HydrophobicContact CD2-CG 3.89Å; L430-E441 HydrophobicContact CG-CG 4.42Å; L430-L442 HydrophobicContact CD1-CD2 4.33Å; L430-L442 HydrophobicContact CD1-CG 4.48Å
431	A	91.6	Very high	94.9	Very high	48 Å²	48	64.5 Å²	64.5	40%	0.397	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-43.6	-172.7	0	0	0	0	0	112.5	M402 E428 K438	M402-A431 HydrophobicContact CE-CB 4.23Å; E428-A431 VanDerWaalsContact O-CB 3.24Å; E428-A431 WeakPolarHBondContact O-CB 3.13Å; E428-A431 PolarHBondContact O-N 2.78Å; A431-K438 WeakPolarHBondContact O-CE 2.98Å; A431-K438 PolarHBondContact O-NZ 3.23Å
432	D	92.1	Very high	94.9	Very high	164 Å²	164	64.1 Å²	64.1	88%	0.877	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.1	-175.8	-60.2	-38.2	0	0	0	114	L430	L430-D432 VanDerWaalsContact C-N 3.31Å; L430-D432 PolarHBondContact O-N 3.42Å
433	K	94.7	Very high	95	Very high	97 Å²	97	64.6 Å²	64.6	42%	0.422	34%	0.34	S	S	.	.	S	Bend	trans	-83.7	158.8	-177.2	-61.8	-146.6	177.6	-167	0	112.5	L430 E437 K438	L430-K433 HydrophobicContact CD2-CD 4.24Å; L430-K433 PolarHBondContact O-N 3.05Å; K433-E437 HydrophobicContact CB-CB 4.05Å; K433-E437 HydrophobicContact CD-CB 4.31Å; K433-K438 HydrophobicContact CB-CG 4.38Å; K433-K438 VanDerWaalsContact O-CE 3.26Å; K433-K438 WeakPolarHBondContact O-CE 3.28Å
434	S	96.1	Very high	95.1	Very high	56 Å²	56	65 Å²	65	39%	0.392	34%	0.341	S	S	.	.			trans	-62.2	153.2	175.8	67.5	0	0	0	0	111.5	V436 E437 K438	S434-V436 PolarHBondContact O-N 3.09Å; S434-V436 VanDerWaalsContact O-N 3.14Å; S434-E437 WeakPolarHBondContact CB-OE2 3.27Å; S434-E437 PolarHBondContact N-OE2 3.26Å; S434-E437 VanDerWaalsContact N-OE2 3.1Å; S434-E437 PolarHBondContact O-N 3.29Å; S434-E437 VanDerWaalsContact OG-CG 3.3Å; S434-E437 WeakPolarHBondContact OG-CG 3.33Å; S434-E437 PolarHBondContact OG-N 3.27Å; S434-E437 PolarHBondContact OG-OE2 3.46Å; S434-K438 PolarHBondContact O-N 2.92Å
435	N	95.2	Very high	95.2	Very high	78 Å²	78	61.2 Å²	61.2	42%	0.417	32%	0.315	S	S	.	.	H	α-helix	trans	-59.9	-27.6	178.3	-75.5	-6.5	0	0	0	113.1	E405 R439	E405-N435 PolarHBondContact OE1-OD1 2.83Å; E405-N435 VanDerWaalsContact OE1-OD1 3.13Å; N435-R439 WeakPolarHBondContact O-CB 3.24Å; N435-R439 PolarHBondContact O-N 3.15Å
436	V	95.5	Very high	95.3	Very high	99 Å²	99	55.8 Å²	55.8	60%	0.6	29%	0.294	S	S	*	.	H	α-helix	trans	-67.5	-46.3	173.9	179.6	0	0	0	0	110.6	S434 R439 N440	S434-V436 PolarHBondContact O-N 3.09Å; S434-V436 VanDerWaalsContact O-N 3.14Å; V436-R439 PolarHBondContact O-N 3.2Å; V436-N440 WeakPolarHBondContact O-CB 3.44Å; V436-N440 PolarHBondContact O-N 2.93Å; V436-N440 PolarHBondContact O-ND2 3.45Å
437	E	95.3	Very high	95.3	Very high	92 Å²	92	55.3 Å²	55.3	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-66	-45.1	176.7	-71.7	169.5	106.3	0	0	112	K433 S434 R439 N440 E441	K433-E437 HydrophobicContact CB-CB 4.05Å; K433-E437 HydrophobicContact CD-CB 4.31Å; S434-E437 WeakPolarHBondContact CB-OE2 3.27Å; S434-E437 PolarHBondContact N-OE2 3.26Å; S434-E437 VanDerWaalsContact N-OE2 3.1Å; S434-E437 PolarHBondContact O-N 3.29Å; S434-E437 VanDerWaalsContact OG-CG 3.3Å; S434-E437 WeakPolarHBondContact OG-CG 3.33Å; S434-E437 PolarHBondContact OG-N 3.27Å; S434-E437 PolarHBondContact OG-OE2 3.46Å; E437-R439 VanDerWaalsContact C-N 3.32Å; E437-R439 PolarHBondContact O-N 2.85Å; E437-N440 PolarHBondContact O-N 2.04Å; E437-E441 WeakPolarHBondContact O-CB 3.46Å; E437-E441 PolarHBondContact O-N 3.27Å
438	K	96.7	Very high	95.2	Very high	14 Å²	14	58.6 Å²	58.6	6%	0.061	31%	0.313	C	S	.	.	H	α-helix	trans	-55.2	-49	174.1	-70.1	177.1	179.4	172.7	0	110.7	E405 T406 L430 A431 K433 S434 N440 E441 L442	E405-K438 IonicContact OE1-NZ 3.17Å; E405-K438 PolarHBondContact OE1-NZ 2.98Å; E405-K438 VanDerWaalsContact OE1-NZ 3.14Å; E405-K438 IonicContact OE2-NZ 2.73Å; E405-K438 PolarHBondContact OE2-NZ 3.04Å; T406-K438 HydrophobicContact CG2-CB 3.66Å; T406-K438 HydrophobicContact CG2-CD 4.48Å; L430-K438 WeakPolarHBondContact O-CE 3.49Å; L430-K438 WeakPolarHBondContact O-CG 2.99Å; A431-K438 WeakPolarHBondContact O-CE 2.98Å; A431-K438 PolarHBondContact O-NZ 3.23Å; K433-K438 HydrophobicContact CB-CG 4.38Å; K433-K438 VanDerWaalsContact O-CE 3.26Å; K433-K438 WeakPolarHBondContact O-CE 3.28Å; S434-K438 PolarHBondContact O-N 2.92Å; K438-N440 PolarHBondContact O-N 2.86Å; K438-E441 PolarHBondContact O-N 3.39Å; K438-L442 VanDerWaalsContact O-CB 3.29Å; K438-L442 WeakPolarHBondContact O-CB 3.04Å; K438-L442 WeakPolarHBondContact O-CG 3.03Å; K438-L442 PolarHBondContact O-N 3.19Å
439	R	96.8	Very high	94.9	Very high	92 Å²	92	55.9 Å²	55.9	35%	0.347	31%	0.31	S	S	.	.	H	α-helix	trans	-61.6	-45.4	179.9	-175.5	170.8	178.7	101.2	3.2	111.6	T406 G407 L408 N435 V436 E437 S443	T406-R439 HydrophobicContact CG2-CB 4.15Å; T406-R439 PolarHBondContact O-NH1 3.18Å; G407-R439 PolarHBondContact O-NH1 3.45Å; L408-R439 HydrophobicContact CD1-CG 4.1Å; L408-R439 HydrophobicContact CD2-CG 4.12Å; L408-R439 HydrophobicContact CG-CG 3.97Å; N435-R439 WeakPolarHBondContact O-CB 3.24Å; N435-R439 PolarHBondContact O-N 3.15Å; V436-R439 PolarHBondContact O-N 3.2Å; E437-R439 VanDerWaalsContact C-N 3.32Å; E437-R439 PolarHBondContact O-N 2.85Å; R439-S443 WeakPolarHBondContact O-CB 3.47Å; R439-S443 PolarHBondContact O-N 3.26Å; R439-S443 PolarHBondContact O-OG 3.04Å
440	N	95.3	Very high	94.6	Very high	101 Å²	101	56 Å²	56	54%	0.54	31%	0.307	S	S	.	.	H	α-helix	trans	-63.6	-44.2	179.4	-72.5	-16.3	0	0	0	111.6	V436 E437 K438	V436-N440 WeakPolarHBondContact O-CB 3.44Å; V436-N440 PolarHBondContact O-N 2.93Å; V436-N440 PolarHBondContact O-ND2 3.45Å; E437-N440 PolarHBondContact O-N 2.04Å; K438-N440 PolarHBondContact O-N 2.86Å
441	E	96.1	Very high	94.3	Very high	51 Å²	51	55.8 Å²	55.8	24%	0.238	31%	0.306	C	S	.	.	H	α-helix	trans	-68.5	-47.7	178.9	-174.9	60.1	-155.3	0	0	111.9	L430 E437 K438 S443 R444 Y445	L430-E441 HydrophobicContact CD1-CB 4.13Å; L430-E441 HydrophobicContact CD1-CG 3.75Å; L430-E441 HydrophobicContact CD2-CB 4.06Å; L430-E441 HydrophobicContact CD2-CG 3.89Å; L430-E441 HydrophobicContact CG-CG 4.42Å; E437-E441 WeakPolarHBondContact O-CB 3.46Å; E437-E441 PolarHBondContact O-N 3.27Å; K438-E441 PolarHBondContact O-N 3.39Å; E441-S443 VanDerWaalsContact C-N 3.26Å; E441-S443 PolarHBondContact O-N 2.9Å; E441-R444 VanDerWaalsContact O-CB 3.28Å; E441-R444 WeakPolarHBondContact O-CB 3.18Å; E441-R444 VanDerWaalsContact O-CG 3.32Å; E441-R444 WeakPolarHBondContact O-CG 3.48Å; E441-R444 PolarHBondContact O-N 2.74Å; E441-R444 VanDerWaalsContact O-N 3.13Å; E441-R444 IonicContact OE1-CZ 3.67Å; E441-R444 IonicContact OE1-NH1 2.53Å; E441-R444 PolarHBondContact OE1-NH1 3.5Å; E441-R444 WeakPolarHBondContact OE2-CD 3.28Å; E441-R444 IonicContact OE2-NH1 3.01Å; E441-Y445 HydrophobicContact CG-CE2 4.2Å; E441-Y445 VanDerWaalsContact O-CD2 3.31Å; E441-Y445 WeakPolarHBondContact O-CD2 3.26Å; E441-Y445 WeakPolarHBondContact OE1-CE2 3.45Å; E441-Y445 PolarHBondContact OE1-OH 3.06Å
442	L	97.2	Very high	93.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-31	-179.6	-69.9	171.7	0	0	0	112.8	M399 M402 L403 T406 L408 I427 L430 K438 R444 Y445	M399-L442 HydrophobicContact CE-CD2 4.19Å; M399-L442 HydrophobicContact CG-CD2 4.16Å; M402-L442 HydrophobicContact CB-CD1 3.64Å; L403-L442 HydrophobicContact CD2-CB 4.04Å; L403-L442 HydrophobicContact CD2-CD1 4.2Å; T406-L442 HydrophobicContact CG2-CD1 4.49Å; L408-L442 HydrophobicContact CD1-CB 3.61Å; I427-L442 HydrophobicContact CD1-CD2 4.19Å; L430-L442 HydrophobicContact CD1-CD2 4.33Å; L430-L442 HydrophobicContact CD1-CG 4.48Å; K438-L442 VanDerWaalsContact O-CB 3.29Å; K438-L442 WeakPolarHBondContact O-CB 3.04Å; K438-L442 WeakPolarHBondContact O-CG 3.03Å; K438-L442 PolarHBondContact O-N 3.19Å; L442-R444 PolarHBondContact O-N 3.41Å; L442-Y445 PolarHBondContact O-N 3.21Å; L442-Y445 VanDerWaalsContact O-N 3.08Å
443	S	96.7	Very high	92.7	Very high	13 Å²	13	54.3 Å²	54.3	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-61.2	-23.9	176.8	-62.9	0	0	0	0	113.3	L408 R439 E441 Y445 L446 M464 A465	L408-S443 WeakPolarHBondContact CD2-OG 3.44Å; R439-S443 WeakPolarHBondContact O-CB 3.47Å; R439-S443 PolarHBondContact O-N 3.26Å; R439-S443 PolarHBondContact O-OG 3.04Å; E441-S443 VanDerWaalsContact C-N 3.26Å; E441-S443 PolarHBondContact O-N 2.9Å; S443-Y445 VanDerWaalsContact C-N 3.26Å; S443-Y445 PolarHBondContact O-N 3.31Å; S443-L446 PolarHBondContact O-N 3.45Å; S443-M464 WeakPolarHBondContact O-CB 3.45Å; S443-M464 PolarHBondContact O-N 2.88Å; S443-A465 PolarHBondContact O-N 2.87Å; S443-A465 VanDerWaalsContact O-N 3.15Å
444	R	97.1	Very high	91.2	Very high	18 Å²	18	55.9 Å²	55.9	7%	0.068	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-27.5	177.2	-54.2	172.8	66.1	-138.1	-9	112.4	E441 L442 S463 A465 E467 L517 P518	E441-R444 VanDerWaalsContact O-CB 3.28Å; E441-R444 WeakPolarHBondContact O-CB 3.18Å; E441-R444 VanDerWaalsContact O-CG 3.32Å; E441-R444 WeakPolarHBondContact O-CG 3.48Å; E441-R444 PolarHBondContact O-N 2.74Å; E441-R444 VanDerWaalsContact O-N 3.13Å; E441-R444 IonicContact OE1-CZ 3.67Å; E441-R444 IonicContact OE1-NH1 2.53Å; E441-R444 PolarHBondContact OE1-NH1 3.5Å; E441-R444 WeakPolarHBondContact OE2-CD 3.28Å; E441-R444 IonicContact OE2-NH1 3.01Å; L442-R444 PolarHBondContact O-N 3.41Å; R444-S463 WeakPolarHBondContact O-CB 3.46Å; R444-A465 HydrophobicContact CB-CB 4.4Å; R444-A465 HydrophobicContact CG-CB 3.74Å; R444-E467 IonicContact CZ-OE1 3.84Å; R444-E467 IonicContact CZ-OE2 3.29Å; R444-E467 IonicContact NE-OE1 3.63Å; R444-E467 IonicContact NE-OE2 2.61Å; R444-E467 PolarHBondContact NE-OE2 3.44Å; R444-E467 IonicContact NH2-OE1 3.19Å; R444-E467 PolarHBondContact NH2-OE1 2.93Å; R444-E467 IonicContact NH2-OE2 2.85Å; R444-E467 PolarHBondContact NH2-OE2 3.43Å; R444-L517 HydrophobicContact CB-CD1 4.16Å; R444-L517 PolarHBondContact NH1-O 3.05Å; R444-L517 VanDerWaalsContact NH1-O 3.16Å; R444-L517 WeakPolarHBondContact O-CD1 3.42Å; R444-P518 PolarHBondContact NH2-O 3.13Å
445	Y	97.3	Very high	89.3	Confident	6 Å²	6	58 Å²	58	2%	0.024	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.2	-176.7	-65.5	-84.3	0	0	0	113.4	M399 V419 L420 P422 E441 L442 S443 M513 P516 L517	M399-Y445 HydrophobicContact CE-CG 4.49Å; V419-Y445 WeakPolarHBondContact CA-O 3.42Å; L420-Y445 HydrophobicContact CB-CD1 3.84Å; L420-Y445 PolarHBondContact N-O 3.48Å; L420-Y445 WeakPolarHBondContact O-CB 3.17Å; L420-Y445 WeakPolarHBondContact O-CD1 3.42Å; P422-Y445 HydrophobicContact CB-CD1 4.28Å; P422-Y445 HydrophobicContact CB-CE1 3.67Å; P422-Y445 HydrophobicContact CG-CD1 4.16Å; P422-Y445 HydrophobicContact CG-CE1 3.93Å; E441-Y445 HydrophobicContact CG-CE2 4.2Å; E441-Y445 VanDerWaalsContact O-CD2 3.31Å; E441-Y445 WeakPolarHBondContact O-CD2 3.26Å; E441-Y445 WeakPolarHBondContact OE1-CE2 3.45Å; E441-Y445 PolarHBondContact OE1-OH 3.06Å; L442-Y445 PolarHBondContact O-N 3.21Å; L442-Y445 VanDerWaalsContact O-N 3.08Å; S443-Y445 VanDerWaalsContact C-N 3.26Å; S443-Y445 PolarHBondContact O-N 3.31Å; Y445-M513 HydrophobicContact CD1-SD 4.1Å; Y445-M513 HydrophobicContact CE1-SD 3.94Å; Y445-P516 WeakPolarHBondContact OH-CB 3.1Å; Y445-L517 HydrophobicContact CD1-CD1 4.01Å; Y445-L517 HydrophobicContact CD1-CG 4.28Å; Y445-L517 HydrophobicContact CE1-CB 4.12Å; Y445-L517 HydrophobicContact CE1-CD1 3.93Å; Y445-L517 HydrophobicContact CE1-CG 3.81Å; Y445-L517 HydrophobicContact CG-CD1 4.46Å; Y445-L517 PolarHBondContact OH-N 2.88Å; Y445-L517 VanDerWaalsContact OH-N 3.17Å
446	L	96.6	Very high	87.7	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.4	178.6	-57.3	175.6	0	0	0	109.4	L403 L408 V412 V417 V419 S443 S463 M464	L403-L446 HydrophobicContact CD2-CD1 3.92Å; L408-L446 HydrophobicContact CB-CD1 4.34Å; L408-L446 HydrophobicContact CD1-CD1 4.36Å; L408-L446 HydrophobicContact CD2-CD1 4.4Å; V412-L446 HydrophobicContact CG1-CD1 4.07Å; V417-L446 HydrophobicContact CG1-CB 4.15Å; V417-L446 HydrophobicContact CG1-CD2 4.24Å; V419-L446 HydrophobicContact CB-CD2 4.28Å; V419-L446 HydrophobicContact CG1-CD2 4.03Å; V419-L446 HydrophobicContact CG2-CD2 3.7Å; S443-L446 PolarHBondContact O-N 3.45Å; L446-S463 CarbonylContact O-C 3.52Å; L446-S463 VanDerWaalsContact O-CA 3.28Å; L446-S463 WeakPolarHBondContact O-CA 3.41Å; L446-M464 HydrophobicContact CB-CB 4.19Å; L446-M464 HydrophobicContact CB-CG 3.82Å; L446-M464 HydrophobicContact CB-SD 3.78Å; L446-M464 HydrophobicContact CD1-SD 4.16Å; L446-M464 WeakPolarHBondContact O-CG 3.24Å; L446-M464 PolarHBondContact O-N 3.36Å
447	F	95.3	Very high	86.5	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.009	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	160.7	176.9	66	-87.4	0	0	0	111.7	V417 S418 L420 G449 I451 I461 L469 Y511	V417-F447 CarbonylContact C-O 3.55Å; V417-F447 WeakPolarHBondContact CA-O 3.35Å; S418-F447 PolarHBondContact N-O 3.37Å; S418-F447 PolarHBondContact O-N 2.89Å; S418-F447 VanDerWaalsContact O-N 3.11Å; L420-F447 HydrophobicContact CD1-CE1 4.41Å; L420-F447 HydrophobicContact CD2-CE1 3.72Å; L420-F447 HydrophobicContact CD2-CZ 4.44Å; L420-F447 HydrophobicContact CG-CD1 4.15Å; L420-F447 HydrophobicContact CG-CE1 3.71Å; F447-G449 WeakPolarHBondContact CE2-O 3.45Å; F447-I451 HydrophobicContact CE2-CG1 4.24Å; F447-I451 HydrophobicContact CZ-CD1 4.01Å; F447-I451 HydrophobicContact CZ-CG1 3.85Å; F447-I461 HydrophobicContact CB-CG2 3.8Å; F447-I461 HydrophobicContact CD2-CD1 3.89Å; F447-I461 HydrophobicContact CD2-CG2 3.63Å; F447-I461 HydrophobicContact CE2-CD1 3.75Å; F447-I461 HydrophobicContact CE2-CG2 4.5Å; F447-I461 HydrophobicContact CG-CG2 3.99Å; F447-L469 HydrophobicContact CB-CD1 4.17Å; F447-L469 HydrophobicContact CD1-CD1 4.12Å; F447-L469 HydrophobicContact CG-CD1 4.29Å; F447-Y511 HydrophobicContact CE1-CD2 4.28Å; F447-Y511 HydrophobicContact CE1-CE2 4.43Å; F447-Y511 HydrophobicContact CE2-CE2 4.5Å; F447-Y511 AromaticContact CZ-CD2 3.91Å; F447-Y511 HydrophobicContact CZ-CD2 3.91Å; F447-Y511 AromaticContact CZ-CE2 3.65Å; F447-Y511 HydrophobicContact CZ-CE2 3.65Å
448	S	92.3	Very high	85.8	Confident	77 Å²	77	55.9 Å²	55.9	54%	0.538	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	139.9	175.6	-69	0	0	0	0	112.1	S416	S416-S448 WeakPolarHBondContact O-CA 3.36Å; S416-S448 PolarHBondContact O-OG 3.3Å
449	G	88.2	Confident	85.4	Confident	36 Å²	36	57.5 Å²	57.5	37%	0.371	32%	0.317	S	S	.	.	S	Bend	trans	94.3	-166.8	179.7	0	0	0	0	0	113.9	S418 F447	S418-G449 WeakPolarHBondContact CB-O 3.47Å; S418-G449 PolarHBondContact OG-O 3.07Å; F447-G449 WeakPolarHBondContact CE2-O 3.45Å
450	E	86.9	Confident	85.1	Confident	119 Å²	119	57.6 Å²	57.6	56%	0.556	32%	0.322	S	S	*	.			trans	-126.1	153.8	-173.9	-67.6	178.8	179.1	0	0	111.9	Q459	E450-Q459 PolarHBondContact O-NE2 3.04Å; E450-Q459 VanDerWaalsContact O-NE2 3.1Å
451	I	87.2	Confident	85	Confident	9 Å²	9	53.6 Å²	53.6	5%	0.046	30%	0.301	C	S	.	.			trans	-85.7	111.4	173.4	-59.7	-178	0	0	0	108.4	L420 F447 I471 V493 L498 Y511	L420-I451 HydrophobicContact CD2-CD1 4.2Å; F447-I451 HydrophobicContact CE2-CG1 4.24Å; F447-I451 HydrophobicContact CZ-CD1 4.01Å; F447-I451 HydrophobicContact CZ-CG1 3.85Å; I451-I471 HydrophobicContact CD1-CD1 4.48Å; I451-I471 HydrophobicContact CG1-CD1 3.92Å; I451-I471 HydrophobicContact CG2-CD1 4.35Å; I451-I471 HydrophobicContact CG2-CG2 3.69Å; I451-V493 HydrophobicContact CD1-CG2 4.03Å; I451-L498 HydrophobicContact CD1-CD1 3.71Å; I451-Y511 HydrophobicContact CB-CE1 3.96Å; I451-Y511 HydrophobicContact CB-CE2 4.45Å; I451-Y511 HydrophobicContact CD1-CD1 4.21Å; I451-Y511 HydrophobicContact CD1-CD2 4.05Å; I451-Y511 HydrophobicContact CD1-CE1 4.21Å; I451-Y511 HydrophobicContact CD1-CE2 4.05Å; I451-Y511 HydrophobicContact CD1-CG 4.12Å; I451-Y511 HydrophobicContact CG1-CD2 4.49Å; I451-Y511 HydrophobicContact CG1-CE1 4.25Å; I451-Y511 HydrophobicContact CG1-CE2 3.98Å; I451-Y511 PolarHBondContact N-OH 2.84Å
452	K	80.3	Confident	84.9	Confident	131 Å²	131	55 Å²	55	57%	0.57	31%	0.313	S	S	*	.			trans	-66.6	135.8	-179.2	-65.2	-179.8	-179.2	-179	0	110.8
453	S	69	Low	84.8	Confident	50 Å²	50	55.2 Å²	55.2	35%	0.35	32%	0.315	S	S	.	.	S	Bend	trans	-80.3	-35.1	179.7	171.2	0	0	0	0	113.3
454	D	64.6	Low	84.7	Confident	129 Å²	129	58 Å²	58	69%	0.69	33%	0.327	S	S	*	.	S	Bend	trans	-104.6	-3.5	-152.8	-61.7	-18.9	0	0	0	115.8
455	N	56.1	Low	84.6	Confident	100 Å²	100	59.3 Å²	59.3	54%	0.535	34%	0.341	S	S	.	.			trans	-94.7	119.3	-179.7	-71.4	-4.4	0	0	0	110.5	G457 V473	N455-G457 PolarHBondContact O-N 3.16Å; N455-V473 WeakPolarHBondContact O-CB 3.43Å
456	D	60.7	Low	84.4	Confident	104 Å²	104	65 Å²	65	56%	0.556	37%	0.372	S	S	*	.	S	Bend	trans	-61.1	108.2	155.1	-77.7	-32.5	0	0	0	106.4	K475	D456-K475 VanDerWaalsContact CG-NZ 3.35Å; D456-K475 VanDerWaalsContact OD1-CD 3.29Å; D456-K475 WeakPolarHBondContact OD1-CD 3.46Å; D456-K475 VanDerWaalsContact OD1-CE 3.22Å; D456-K475 WeakPolarHBondContact OD1-CE 3.42Å; D456-K475 WeakPolarHBondContact OD1-CG 3.42Å; D456-K475 IonicContact OD1-NZ 2.67Å; D456-K475 WeakPolarHBondContact OD2-CE 3.31Å; D456-K475 IonicContact OD2-NZ 3.25Å; D456-K475 PolarHBondContact OD2-NZ 3.12Å
457	G	70.2	Confident	84.3	Confident	37 Å²	37	65.5 Å²	65.5	38%	0.381	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	166.8	178.6	-175.4	0	0	0	0	0	114.4	N455 V473	N455-G457 PolarHBondContact O-N 3.16Å; G457-V473 PolarHBondContact O-N 2.89Å
458	T	80.7	Confident	84.3	Confident	84 Å²	84	66.5 Å²	66.5	52%	0.515	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126	172.5	-60.4	0	0	0	0	108.9	M460 K470 I471	T458-M460 HydrophobicContact CG2-SD 4.18Å; T458-K470 HydrophobicContact CG2-CD 4.14Å; T458-K470 HydrophobicContact CG2-CG 3.53Å; T458-I471 CarbonylContact C-O 3.57Å; T458-I471 VanDerWaalsContact CA-O 3.27Å; T458-I471 WeakPolarHBondContact CA-O 3.21Å
459	Q	87.9	Confident	84.4	Confident	49 Å²	49	62.9 Å²	62.9	23%	0.229	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	138.6	168.6	174.6	-175.2	4	0	0	108.3	E450 I461 I471	E450-Q459 PolarHBondContact O-NE2 3.04Å; E450-Q459 VanDerWaalsContact O-NE2 3.1Å; Q459-I461 HydrophobicContact CG-CG1 4.15Å; Q459-I471 HydrophobicContact CB-CB 4.04Å; Q459-I471 HydrophobicContact CB-CD1 4.13Å; Q459-I471 HydrophobicContact CB-CG2 4.45Å; Q459-I471 HydrophobicContact CG-CD1 3.91Å; Q459-I471 PolarHBondContact N-O 2.83Å; Q459-I471 WeakPolarHBondContact O-CB 3.46Å; Q459-I471 PolarHBondContact O-N 3.49Å
460	M	90.9	Very high	84.7	Confident	93 Å²	93	64.6 Å²	64.6	46%	0.458	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.7	171.9	-62.9	-58.8	-67.3	0	0	109	T458 P468 K470	T458-M460 HydrophobicContact CG2-SD 4.18Å; M460-P468 HydrophobicContact CE-CB 3.77Å; M460-K470 HydrophobicContact CE-CB 4.15Å; M460-K470 HydrophobicContact SD-CB 3.68Å; M460-K470 HydrophobicContact SD-CG 3.75Å
461	I	92.7	Very high	84.9	Confident	17 Å²	17	59 Å²	59	9%	0.087	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152.8	170.6	-61.5	-177.3	0	0	0	108	F447 Q459 L469 I471	F447-I461 HydrophobicContact CB-CG2 3.8Å; F447-I461 HydrophobicContact CD2-CD1 3.89Å; F447-I461 HydrophobicContact CD2-CG2 3.63Å; F447-I461 HydrophobicContact CE2-CD1 3.75Å; F447-I461 HydrophobicContact CE2-CG2 4.5Å; F447-I461 HydrophobicContact CG-CG2 3.99Å; Q459-I461 HydrophobicContact CG-CG1 4.15Å; I461-L469 HydrophobicContact CB-CB 4.46Å; I461-L469 PolarHBondContact N-O 3.42Å; I461-L469 WeakPolarHBondContact O-CA 3.34Å; I461-L469 WeakPolarHBondContact O-CB 3.24Å; I461-L469 PolarHBondContact O-N 3.38Å; I461-I471 HydrophobicContact CB-CD1 4.37Å; I461-I471 HydrophobicContact CD1-CD1 3.38Å; I461-I471 HydrophobicContact CG1-CD1 3.65Å
462	T	95.2	Very high	85	Confident	80 Å²	80	60.2 Å²	60.2	49%	0.491	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.9	172.4	-51.4	0	0	0	0	109.9
463	S	95.8	Very high	85.2	Confident	6 Å²	6	54.7 Å²	54.7	4%	0.042	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-73.1	168.9	172.2	67.1	0	0	0	0	111.8	R444 L446 A465 N466 E467	R444-S463 WeakPolarHBondContact O-CB 3.46Å; L446-S463 CarbonylContact O-C 3.52Å; L446-S463 VanDerWaalsContact O-CA 3.28Å; L446-S463 WeakPolarHBondContact O-CA 3.41Å; S463-A465 PolarHBondContact O-N 3.48Å; S463-A465 PolarHBondContact OG-N 3.05Å; S463-N466 WeakPolarHBondContact O-CA 3.47Å; S463-N466 PolarHBondContact O-N 2.71Å; S463-E467 PolarHBondContact N-O 2.97Å; S463-E467 WeakPolarHBondContact OG-CB 3.32Å; S463-E467 PolarHBondContact OG-N 2.98Å; S463-E467 VanDerWaalsContact OG-N 3.14Å; S463-E467 PolarHBondContact OG-O 3.26Å; S463-E467 VanDerWaalsContact OG-O 3.04Å
464	M	94.3	Very high	85.7	Confident	72 Å²	72	53.7 Å²	53.7	36%	0.355	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.1	174	-65.5	-162.5	73.4	0	0	113.6	V412 S443 L446 N466	V412-M464 HydrophobicContact CG1-CE 3.79Å; V412-M464 HydrophobicContact CG1-SD 3.22Å; V412-M464 WeakPolarHBondContact CG1-SD 3.35Å; S443-M464 WeakPolarHBondContact O-CB 3.45Å; S443-M464 PolarHBondContact O-N 2.88Å; L446-M464 HydrophobicContact CB-CB 4.19Å; L446-M464 HydrophobicContact CB-CG 3.82Å; L446-M464 HydrophobicContact CB-SD 3.78Å; L446-M464 HydrophobicContact CD1-SD 4.16Å; L446-M464 WeakPolarHBondContact O-CG 3.24Å; L446-M464 PolarHBondContact O-N 3.36Å; M464-N466 PolarHBondContact O-N 2.94Å
465	A	94.3	Very high	86	Confident	44 Å²	44	52.8 Å²	52.8	36%	0.364	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	4.1	167.2	0	0	0	0	0	113.1	S443 R444 S463 E467	S443-A465 PolarHBondContact O-N 2.87Å; S443-A465 VanDerWaalsContact O-N 3.15Å; R444-A465 HydrophobicContact CB-CB 4.4Å; R444-A465 HydrophobicContact CG-CB 3.74Å; S463-A465 PolarHBondContact O-N 3.48Å; S463-A465 PolarHBondContact OG-N 3.05Å; A465-E467 PolarHBondContact O-N 3.17Å
466	N	93.5	Very high	86.3	Confident	127 Å²	127	50.2 Å²	50.2	68%	0.679	28%	0.283	S	S	*	.	S	Bend	trans	59.5	23.9	-171.4	-159.9	40.8	0	0	0	113.3	S463 M464	S463-N466 WeakPolarHBondContact O-CA 3.47Å; S463-N466 PolarHBondContact O-N 2.71Å; M464-N466 PolarHBondContact O-N 2.94Å
467	E	94.5	Very high	86.1	Confident	10 Å²	10	50.2 Å²	50.2	5%	0.047	29%	0.292	C	S	.	.			trans	-90.3	133	173.8	161.1	-179	168.4	0	0	109.9	R444 S463 A465 L469 N494 Y520	R444-E467 IonicContact CZ-OE1 3.84Å; R444-E467 IonicContact CZ-OE2 3.29Å; R444-E467 IonicContact NE-OE1 3.63Å; R444-E467 IonicContact NE-OE2 2.61Å; R444-E467 PolarHBondContact NE-OE2 3.44Å; R444-E467 IonicContact NH2-OE1 3.19Å; R444-E467 PolarHBondContact NH2-OE1 2.93Å; R444-E467 IonicContact NH2-OE2 2.85Å; R444-E467 PolarHBondContact NH2-OE2 3.43Å; S463-E467 PolarHBondContact N-O 2.97Å; S463-E467 WeakPolarHBondContact OG-CB 3.32Å; S463-E467 PolarHBondContact OG-N 2.98Å; S463-E467 VanDerWaalsContact OG-N 3.14Å; S463-E467 PolarHBondContact OG-O 3.26Å; S463-E467 VanDerWaalsContact OG-O 3.04Å; A465-E467 PolarHBondContact O-N 3.17Å; E467-L469 HydrophobicContact CG-CD2 4.41Å; E467-N494 PolarHBondContact OE1-ND2 2.96Å; E467-Y520 HydrophobicContact CB-CD1 4.05Å; E467-Y520 HydrophobicContact CB-CG 4.49Å; E467-Y520 HydrophobicContact CG-CD1 3.72Å; E467-Y520 HydrophobicContact CG-CD2 4.27Å; E467-Y520 HydrophobicContact CG-CE1 4.39Å; E467-Y520 HydrophobicContact CG-CG 3.66Å; E467-Y520 VanDerWaalsContact OE1-CB 3.26Å; E467-Y520 WeakPolarHBondContact OE1-CB 3.47Å
468	P	95.2	Very high	85.4	Confident	22 Å²	22	52.7 Å²	52.7	14%	0.143	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	127.8	172.6	29.8	-33.1	0	0	0	111	M460 N494 Y520	M460-P468 HydrophobicContact CE-CB 3.77Å; P468-N494 PolarHBondContact O-ND2 3.5Å; P468-N494 PolarHBondContact O-OD1 3.42Å; P468-Y520 WeakPolarHBondContact CD-OH 3.37Å; P468-Y520 HydrophobicContact CG-CD2 4.41Å; P468-Y520 HydrophobicContact CG-CE1 4.28Å; P468-Y520 HydrophobicContact CG-CE2 3.55Å; P468-Y520 VanDerWaalsContact CG-CZ 3.48Å; P468-Y520 WeakPolarHBondContact CG-OH 3.38Å
469	L	95	Very high	83.8	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	100.2	175.1	-60.2	-177.4	0	0	0	108.6	L420 F447 I461 E467 I471 V493 L517	L420-L469 HydrophobicContact CD1-CD1 4.21Å; F447-L469 HydrophobicContact CB-CD1 4.17Å; F447-L469 HydrophobicContact CD1-CD1 4.12Å; F447-L469 HydrophobicContact CG-CD1 4.29Å; I461-L469 HydrophobicContact CB-CB 4.46Å; I461-L469 PolarHBondContact N-O 3.42Å; I461-L469 WeakPolarHBondContact O-CA 3.34Å; I461-L469 WeakPolarHBondContact O-CB 3.24Å; I461-L469 PolarHBondContact O-N 3.38Å; E467-L469 HydrophobicContact CG-CD2 4.41Å; L469-I471 PolarHBondContact O-N 3.17Å; L469-V493 HydrophobicContact CB-CG1 3.81Å; L469-V493 HydrophobicContact CD1-CG1 4.4Å; L469-V493 HydrophobicContact CD2-CG1 3.98Å; L469-V493 HydrophobicContact CG-CG1 4.28Å; L469-L517 HydrophobicContact CD2-CD1 4.05Å; L469-L517 HydrophobicContact CD2-CD2 4.38Å
470	K	93.2	Very high	82.1	Confident	72 Å²	72	59.8 Å²	59.8	31%	0.313	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	111.4	173.2	-174.5	176.8	178.9	178.5	0	109.6	T458 M460 V493 N494	T458-K470 HydrophobicContact CG2-CD 4.14Å; T458-K470 HydrophobicContact CG2-CG 3.53Å; M460-K470 HydrophobicContact CE-CB 4.15Å; M460-K470 HydrophobicContact SD-CB 3.68Å; M460-K470 HydrophobicContact SD-CG 3.75Å; K470-V493 CarbonylContact O-C 3.35Å; K470-V493 WeakPolarHBondContact O-CA 3.04Å; K470-N494 WeakPolarHBondContact CB-OD1 3.24Å; K470-N494 PolarHBondContact N-OD1 2.92Å; K470-N494 PolarHBondContact O-N 3.22Å
471	I	91.8	Very high	79.8	Confident	2 Å²	2	62 Å²	62	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.3	177.5	-61.9	156.6	0	0	0	108.3	I451 T458 Q459 I461 L469 R492 V493	I451-I471 HydrophobicContact CD1-CD1 4.48Å; I451-I471 HydrophobicContact CG1-CD1 3.92Å; I451-I471 HydrophobicContact CG2-CD1 4.35Å; I451-I471 HydrophobicContact CG2-CG2 3.69Å; T458-I471 CarbonylContact C-O 3.57Å; T458-I471 VanDerWaalsContact CA-O 3.27Å; T458-I471 WeakPolarHBondContact CA-O 3.21Å; Q459-I471 HydrophobicContact CB-CB 4.04Å; Q459-I471 HydrophobicContact CB-CD1 4.13Å; Q459-I471 HydrophobicContact CB-CG2 4.45Å; Q459-I471 HydrophobicContact CG-CD1 3.91Å; Q459-I471 PolarHBondContact N-O 2.83Å; Q459-I471 WeakPolarHBondContact O-CB 3.46Å; Q459-I471 PolarHBondContact O-N 3.49Å; I461-I471 HydrophobicContact CB-CD1 4.37Å; I461-I471 HydrophobicContact CD1-CD1 3.38Å; I461-I471 HydrophobicContact CG1-CD1 3.65Å; L469-I471 PolarHBondContact O-N 3.17Å; I471-R492 CarbonylContact C-O 3.59Å; I471-R492 VanDerWaalsContact CA-O 3.26Å; I471-R492 WeakPolarHBondContact CA-O 3.22Å; I471-V493 HydrophobicContact CG1-CG2 4.3Å
472	T	89	Confident	77.7	Confident	33 Å²	33	66.5 Å²	66.5	20%	0.202	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.3	175.2	-53.6	0	0	0	0	109.6	R491 R492	T472-R491 WeakPolarHBondContact O-CA 3.48Å; T472-R492 PolarHBondContact N-O 2.89Å; T472-R492 PolarHBondContact O-N 2.86Å
473	V	85.3	Confident	75.4	Confident	16 Å²	16	70.5 Å²	70.5	10%	0.097	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.9	176.1	-168.8	0	0	0	0	108.4	N455 G457 P489 R491	N455-V473 WeakPolarHBondContact O-CB 3.43Å; G457-V473 PolarHBondContact O-N 2.89Å; V473-P489 HydrophobicContact CG1-CB 3.7Å; V473-P489 HydrophobicContact CG1-CG 4.37Å; V473-R491 HydrophobicContact CB-CG 4.48Å; V473-R491 HydrophobicContact CG1-CG 4.12Å; V473-R491 HydrophobicContact CG2-CG 4.08Å
474	S	79.4	Confident	73.1	Confident	28 Å²	28	77.3 Å²	77.3	20%	0.196	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.2	177.5	-45.3	0	0	0	0	109.3	T490 H602	S474-T490 PolarHBondContact N-O 2.81Å; S474-T490 PolarHBondContact O-N 2.81Å; S474-H602 PolarHBondContact OG-NE2 2.99Å
475	K	70.6	Confident	70.7	Confident	110 Å²	110	77.2 Å²	77.2	48%	0.478	42%	0.416	S	S	.	.			trans	-74.7	144.2	168.5	-70.4	175	-173	161	0	109.7	D456 S477 P489	D456-K475 VanDerWaalsContact CG-NZ 3.35Å; D456-K475 VanDerWaalsContact OD1-CD 3.29Å; D456-K475 WeakPolarHBondContact OD1-CD 3.46Å; D456-K475 VanDerWaalsContact OD1-CE 3.22Å; D456-K475 WeakPolarHBondContact OD1-CE 3.42Å; D456-K475 WeakPolarHBondContact OD1-CG 3.42Å; D456-K475 IonicContact OD1-NZ 2.67Å; D456-K475 WeakPolarHBondContact OD2-CE 3.31Å; D456-K475 IonicContact OD2-NZ 3.25Å; D456-K475 PolarHBondContact OD2-NZ 3.12Å; K475-S477 PolarHBondContact O-N 2.97Å; K475-P489 HydrophobicContact CG-CB 4.47Å
476	P	63.2	Low	68.6	Low	46 Å²	46	80.9 Å²	80.9	30%	0.299	44%	0.439	S	S	.	.			trans	-63.9	124.8	172.4	26.3	-31.6	0	0	0	109.8	F478 R487	P476-F478 HydrophobicContact CB-CD2 4.05Å; P476-F478 HydrophobicContact CB-CE2 4.45Å; P476-F478 PolarHBondContact O-N 3.41Å; P476-R487 HydrophobicContact CG-CB 4.44Å
477	S	56	Low	66.9	Low	104 Å²	104	83.9 Å²	83.9	73%	0.727	44%	0.441	S	S	*	.			trans	-73	71.4	174.8	-51.4	0	0	0	0	110.8	K475 P479	K475-S477 PolarHBondContact O-N 2.97Å; S477-P479 VanDerWaalsContact C-CD 3.48Å; S477-P479 WeakPolarHBondContact O-CD 3.47Å
478	F	55.8	Low	65.5	Low	90 Å²	90	87.3 Å²	87.3	40%	0.395	47%	0.466	S	S	.	.			trans	-112.1	87	166.5	-75.2	-73.7	0	0	0	109.8	P476 F480	P476-F478 HydrophobicContact CB-CD2 4.05Å; P476-F478 HydrophobicContact CB-CE2 4.45Å; P476-F478 PolarHBondContact O-N 3.41Å; F478-F480 VanDerWaalsContact C-N 3.27Å; F478-F480 PolarHBondContact O-N 3.29Å
479	P	47	Very low	64.6	Low	100 Å²	100	88 Å²	88	65%	0.649	47%	0.47	S	S	*	.	S	Bend	trans	-68.8	-19.7	-179.8	21.4	-27.7	0	0	0	114.1	S477	S477-P479 VanDerWaalsContact C-CD 3.48Å; S477-P479 WeakPolarHBondContact O-CD 3.47Å
480	F	51.8	Low	64.1	Low	181 Å²	181	89.8 Å²	89.8	79%	0.794	48%	0.481	S	S	*	.	S	Bend	trans	-106.1	-8	-167.7	-71.2	-75.1	0	0	0	117.3	F478	F478-F480 VanDerWaalsContact C-N 3.27Å; F478-F480 PolarHBondContact O-N 3.29Å
481	F	43.3	Very low	63.8	Low	140 Å²	140	87.8 Å²	87.8	61%	0.614	47%	0.472	S	S	*	.			trans	-130.5	72.2	177.2	-66.3	-77	0	0	0	111.5	N483 L484	F481-N483 PolarHBondContact O-N 3.11Å; F481-N483 VanDerWaalsContact O-N 3.15Å; F481-L484 PolarHBondContact O-N 2.8Å
482	T	47.7	Very low	63.8	Low	112 Å²	112	88.3 Å²	88.3	69%	0.687	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.1	177.7	49.6	0	0	0	0	113.8
483	N	47.3	Very low	64.1	Low	164 Å²	164	86.8 Å²	86.8	88%	0.877	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-9.9	-179.2	-82.6	-19	0	0	0	115.9	F481	F481-N483 PolarHBondContact O-N 3.11Å; F481-N483 VanDerWaalsContact O-N 3.15Å
484	L	46.5	Very low	64.6	Low	148 Å²	148	86.6 Å²	86.6	78%	0.775	46%	0.463	S	S	*	.	S	Bend	trans	-109.4	6.6	174.7	-77.3	163.2	0	0	0	112.9	F481 S486	F481-L484 PolarHBondContact O-N 2.8Å; L484-S486 PolarHBondContact O-N 2.64Å
485	N	44.5	Very low	65.2	Low	70 Å²	70	86 Å²	86	37%	0.374	46%	0.458	S	S	.	.			trans	-75.8	49.3	-177.8	-82.4	-13.7	0	0	0	113.8	R487	N485-R487 PolarHBondContact O-N 2.71Å
486	S	49.5	Very low	66.3	Low	121 Å²	121	80.9 Å²	80.9	85%	0.846	44%	0.437	S	S	*	.			trans	-75.2	2.3	170.2	-173.4	0	0	0	0	113	L484 S488	L484-S486 PolarHBondContact O-N 2.64Å; S486-S488 PolarHBondContact O-N 3.38Å
487	R	57.8	Low	67.7	Low	190 Å²	190	80.8 Å²	80.8	72%	0.717	43%	0.432	S	S	*	.			trans	-79	115.8	177.4	-72.6	-173.2	178.7	-179.1	1.6	110.4	P476 N485	P476-R487 HydrophobicContact CG-CB 4.44Å; N485-R487 PolarHBondContact O-N 2.71Å
488	S	65	Low	69.3	Low	83 Å²	83	76.3 Å²	76.3	58%	0.58	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-55.9	149.7	171.9	46.2	0	0	0	0	111.9	S486 T490	S486-S488 PolarHBondContact O-N 3.38Å; S488-T490 PolarHBondContact O-N 3.25Å
489	P	76.8	Confident	70.8	Confident	35 Å²	35	72.6 Å²	72.6	23%	0.227	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-56.2	139.1	175.7	24	-33.6	0	0	0	110.7	V473 K475 R491	V473-P489 HydrophobicContact CG1-CB 3.7Å; V473-P489 HydrophobicContact CG1-CG 4.37Å; K475-P489 HydrophobicContact CG-CB 4.47Å; P489-R491 PolarHBondContact O-N 3.48Å
490	T	83.9	Confident	72.4	Confident	40 Å²	40	72.8 Å²	72.8	25%	0.245	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	120.4	176.7	-61.5	0	0	0	0	109.1	S474 S488 K497	S474-T490 PolarHBondContact N-O 2.81Å; S474-T490 PolarHBondContact O-N 2.81Å; S488-T490 PolarHBondContact O-N 3.25Å; T490-K497 HydrophobicContact CG2-CD 4.08Å; T490-K497 HydrophobicContact CG2-CG 4.1Å
491	R	88.6	Confident	73.8	Confident	30 Å²	30	69.6 Å²	69.6	11%	0.113	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	143.3	176.7	-68.6	173.7	-70	160.1	7.3	110.7	T472 V473 P489 L498 E502	T472-R491 WeakPolarHBondContact O-CA 3.48Å; V473-R491 HydrophobicContact CB-CG 4.48Å; V473-R491 HydrophobicContact CG1-CG 4.12Å; V473-R491 HydrophobicContact CG2-CG 4.08Å; P489-R491 PolarHBondContact O-N 3.48Å; R491-L498 HydrophobicContact CB-CB 4.38Å; R491-L498 HydrophobicContact CB-CD1 3.84Å; R491-L498 HydrophobicContact CB-CG 4.33Å; R491-L498 WeakPolarHBondContact O-CB 3.39Å; R491-L498 PolarHBondContact O-N 2.74Å; R491-E502 IonicContact CZ-OE1 3.85Å; R491-E502 IonicContact NH1-OE1 2.84Å; R491-E502 PolarHBondContact NH1-OE1 3.09Å; R491-E502 IonicContact NH2-OE1 3.57Å; R491-E502 PolarHBondContact NH2-OE1 2.83Å
492	R	91.1	Very high	75.8	Confident	14 Å²	14	67 Å²	67	5%	0.053	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.1	177.5	-58.3	-173.6	169.2	78.5	-4.5	110	I471 T472 A496 K497 H602	I471-R492 CarbonylContact C-O 3.59Å; I471-R492 VanDerWaalsContact CA-O 3.26Å; I471-R492 WeakPolarHBondContact CA-O 3.22Å; T472-R492 PolarHBondContact N-O 2.89Å; T472-R492 PolarHBondContact O-N 2.86Å; R492-A496 CarbonylContact C-O 3.56Å; R492-A496 WeakPolarHBondContact CA-O 3.36Å; R492-K497 HydrophobicContact CG-CB 4.49Å; R492-H602 PolarHBondContact NH1-CD2 3.38Å; R492-H602 PolarHBondContact NH1-NE2 3.1Å
493	V	94.7	Very high	77.4	Confident	1 Å²	1	62 Å²	62	1%	0.006	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.3	172.7	-174.5	0	0	0	0	107.4	L420 I451 L469 K470 I471 C495 A496 L498 L517	L420-V493 HydrophobicContact CD1-CB 4.46Å; L420-V493 HydrophobicContact CD1-CG1 4.06Å; L420-V493 HydrophobicContact CD1-CG2 4.47Å; L420-V493 HydrophobicContact CD2-CG2 4.28Å; I451-V493 HydrophobicContact CD1-CG2 4.03Å; L469-V493 HydrophobicContact CB-CG1 3.81Å; L469-V493 HydrophobicContact CD1-CG1 4.4Å; L469-V493 HydrophobicContact CD2-CG1 3.98Å; L469-V493 HydrophobicContact CG-CG1 4.28Å; K470-V493 CarbonylContact O-C 3.35Å; K470-V493 WeakPolarHBondContact O-CA 3.04Å; I471-V493 HydrophobicContact CG1-CG2 4.3Å; V493-C495 VanDerWaalsContact C-N 3.34Å; V493-C495 PolarHBondContact O-N 2.91Å; V493-A496 PolarHBondContact N-O 3.1Å; V493-A496 WeakPolarHBondContact O-CB 3.34Å; V493-A496 PolarHBondContact O-N 2.87Å; V493-L498 HydrophobicContact CG2-CD1 4.19Å; V493-L498 HydrophobicContact CG2-CD2 3.95Å; V493-L498 HydrophobicContact CG2-CG 4.19Å; V493-L517 HydrophobicContact CB-CD2 4.14Å; V493-L517 HydrophobicContact CG1-CD2 3.8Å
494	N	95.3	Very high	79	Confident	12 Å²	12	56.9 Å²	56.9	6%	0.064	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	55.8	-176.1	-73.5	-0.7	0	0	0	111.4	E467 P468 K470 A496 L517 P518 V648	E467-N494 PolarHBondContact OE1-ND2 2.96Å; P468-N494 PolarHBondContact O-ND2 3.5Å; P468-N494 PolarHBondContact O-OD1 3.42Å; K470-N494 WeakPolarHBondContact CB-OD1 3.24Å; K470-N494 PolarHBondContact N-OD1 2.92Å; K470-N494 PolarHBondContact O-N 3.22Å; N494-A496 PolarHBondContact O-N 2.85Å; N494-L517 HydrophobicContact CB-CD2 4.24Å; N494-P518 HydrophobicContact CB-CG 4.3Å; N494-P518 VanDerWaalsContact O-CD 3.24Å; N494-P518 WeakPolarHBondContact O-CD 3.46Å; N494-P518 WeakPolarHBondContact O-CG 3.35Å; N494-V648 HydrophobicContact CB-CG2 4.14Å
495	C	93.1	Very high	80.8	Confident	14 Å²	14	50.4 Å²	50.4	10%	0.095	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	-21.3	-172.5	-56.4	0	0	0	0	116.7	V493 K497 C600 D645	V493-C495 VanDerWaalsContact C-N 3.34Å; V493-C495 PolarHBondContact O-N 2.91Å; C495-K497 PolarHBondContact O-N 3.34Å; C495-C600 WeakPolarHBondContact CA-SG 3.48Å; C495-C600 HydrophobicContact CB-CB 3.67Å; C495-C600 WeakPolarHBondContact CB-SG 3.49Å; C495-C600 WeakPolarHBondContact SG-CB 3.31Å; C495-C600 CovalentContact SG-SG 2.04Å; C495-C600 PolarHBondContact SG-SG 3.3Å; C495-D645 HydrophobicContact CB-CB 3.93Å
496	A	94.4	Very high	82.7	Confident	4 Å²	4	47.9 Å²	47.9	3%	0.033	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.5	-179	0	0	0	0	0	112	R492 V493 N494 M513 K515 P516	R492-A496 CarbonylContact C-O 3.56Å; R492-A496 WeakPolarHBondContact CA-O 3.36Å; V493-A496 PolarHBondContact N-O 3.1Å; V493-A496 WeakPolarHBondContact O-CB 3.34Å; V493-A496 PolarHBondContact O-N 2.87Å; N494-A496 PolarHBondContact O-N 2.85Å; A496-M513 HydrophobicContact CB-CE 3.48Å; A496-M513 VanDerWaalsContact CB-CE 3.48Å; A496-K515 HydrophobicContact CB-CB 4.48Å; A496-P516 WeakPolarHBondContact CB-O 3.26Å
497	K	91.3	Very high	84.3	Confident	44 Å²	44	43.4 Å²	43.4	19%	0.191	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	129.5	-175.8	-179.3	168.6	178.9	171.4	0	112.7	T490 R492 C495 R514	T490-K497 HydrophobicContact CG2-CD 4.08Å; T490-K497 HydrophobicContact CG2-CG 4.1Å; R492-K497 HydrophobicContact CG-CB 4.49Å; C495-K497 PolarHBondContact O-N 3.34Å; K497-R514 PolarHBondContact O-N 3.1Å
498	L	91	Very high	85.8	Confident	9 Å²	9	34.5 Å²	34.5	5%	0.047	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	147.6	168.6	-62.1	-174	0	0	0	111.1	L420 I451 R491 V493 Y511 M513	L420-L498 HydrophobicContact CD2-CD2 4.15Å; I451-L498 HydrophobicContact CD1-CD1 3.71Å; R491-L498 HydrophobicContact CB-CB 4.38Å; R491-L498 HydrophobicContact CB-CD1 3.84Å; R491-L498 HydrophobicContact CB-CG 4.33Å; R491-L498 WeakPolarHBondContact O-CB 3.39Å; R491-L498 PolarHBondContact O-N 2.74Å; V493-L498 HydrophobicContact CG2-CD1 4.19Å; V493-L498 HydrophobicContact CG2-CD2 3.95Å; V493-L498 HydrophobicContact CG2-CG 4.19Å; L498-Y511 HydrophobicContact CD1-CD1 4.39Å; L498-M513 HydrophobicContact CD2-CG 3.91Å
499	G	86.5	Confident	87.1	Confident	12 Å²	12	31.3 Å²	31.3	12%	0.124	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	172.7	170.1	0	0	0	0	0	111.8	H512	G499-H512 WeakPolarHBondContact CA-O 3.21Å; G499-H512 PolarHBondContact N-O 3.14Å
500	S	80.7	Confident	87.9	Confident	105 Å²	105	29.7 Å²	29.7	73%	0.734	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	-15	176.5	50.1	0	0	0	0	113.3
501	W	81.5	Confident	88.4	Confident	114 Å²	114	28.1 Å²	28.1	43%	0.432	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.1	-177.8	-175.1	86.1	0	0	0	110.9	T395 I421 L510 H512	T395-W501 HydrophobicContact CG2-CH2 3.66Å; T395-W501 HydrophobicContact CG2-CZ3 3.71Å; I421-W501 HydrophobicContact CD1-CZ3 4.43Å; W501-L510 HydrophobicContact CH2-CD1 4.47Å; W501-L510 HydrophobicContact CZ3-CB 4.23Å; W501-H512 HydrophobicContact CE3-CB 4.32Å; W501-H512 PolarHBondContact O-N 3.2Å
502	E	84.3	Confident	88.7	Confident	84 Å²	84	29.8 Å²	29.8	39%	0.393	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.3	171.8	-59.7	-174	148.2	0	0	109.4	R491 T509 L510 Y511	R491-E502 IonicContact CZ-OE1 3.85Å; R491-E502 IonicContact NH1-OE1 2.84Å; R491-E502 PolarHBondContact NH1-OE1 3.09Å; R491-E502 IonicContact NH2-OE1 3.57Å; R491-E502 PolarHBondContact NH2-OE1 2.83Å; E502-T509 HydrophobicContact CB-CG2 4.3Å; E502-L510 CarbonylContact C-O 3.57Å; E502-L510 VanDerWaalsContact CA-O 3.28Å; E502-L510 WeakPolarHBondContact CA-O 3.38Å; E502-Y511 HydrophobicContact CG-CD1 4.08Å; E502-Y511 HydrophobicContact CG-CE1 4.38Å; E502-Y511 VanDerWaalsContact OE1-CD1 3.26Å; E502-Y511 WeakPolarHBondContact OE1-CD1 3.46Å; E502-Y511 WeakPolarHBondContact OE1-CE1 3.05Å
503	G	82.3	Confident	88.8	Confident	7 Å²	7	29.1 Å²	29.1	7%	0.072	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.2	171.2	0	0	0	0	0	109.8	A505 L510	G503-A505 PolarHBondContact O-N 2.83Å; G503-L510 PolarHBondContact N-O 2.79Å; G503-L510 PolarHBondContact O-N 2.95Å
504	A	80.4	Confident	88.7	Confident	57 Å²	57	35.7 Å²	35.7	47%	0.471	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.9	167.3	0	0	0	0	0	109.5	Q384 N391	Q384-A504 HydrophobicContact CB-CB 4.44Å; Q384-A504 HydrophobicContact CG-CB 3.94Å; N391-A504 PolarHBondContact ND2-O 3.46Å; N391-A504 VanDerWaalsContact ND2-O 3.12Å
505	A	84.5	Confident	88.5	Confident	12 Å²	12	39.3 Å²	39.3	10%	0.099	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	166.8	172.5	0	0	0	0	0	109.7	A388 G503 G507 G508	A388-A505 VanDerWaalsContact CA-CB 3.49Å; A388-A505 HydrophobicContact CB-CB 3.87Å; G503-A505 PolarHBondContact O-N 2.83Å; A505-G507 PolarHBondContact O-N 2.78Å; A505-G508 CarbonylContact C-O 3.48Å; A505-G508 VanDerWaalsContact C-O 3.29Å; A505-G508 WeakPolarHBondContact CA-O 3.06Å; A505-G508 WeakPolarHBondContact CB-O 3.38Å; A505-G508 PolarHBondContact N-O 2.04Å; A505-G508 VanDerWaalsContact N-O 3.1Å; A505-G508 PolarHBondContact O-N 3.03Å
506	C	84.8	Confident	88.6	Confident	17 Å²	17	40.5 Å²	40.5	12%	0.115	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-75.5	118.3	-178.1	-173	0	0	0	0	111.3	C326 Q384 T385 L386 G508	C326-C506 HydrophobicContact CB-CB 3.68Å; C326-C506 WeakPolarHBondContact CB-SG 3.48Å; C326-C506 WeakPolarHBondContact SG-CA 3.48Å; C326-C506 WeakPolarHBondContact SG-CB 3.38Å; C326-C506 CovalentContact SG-SG 2.04Å; C326-C506 PolarHBondContact SG-SG 2.96Å; Q384-C506 PolarHBondContact O-N 2.91Å; T385-C506 WeakPolarHBondContact O-CB 3.35Å; L386-C506 WeakPolarHBondContact O-CB 3.39Å; L386-C506 PolarHBondContact O-N 2.82Å; C506-G508 PolarHBondContact O-N 2.92Å
507	G	83.2	Confident	88.7	Confident	28 Å²	28	40.5 Å²	40.5	29%	0.289	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	10.5	-177.8	0	0	0	0	0	114.2	S416 A505	S416-G507 CarbonylContact C-O 3.55Å; S416-G507 VanDerWaalsContact C-O 3.3Å; S416-G507 WeakPolarHBondContact CA-O 3.43Å; S416-G507 WeakPolarHBondContact CB-O 3.35Å; A505-G507 PolarHBondContact O-N 2.78Å
508	G	89.2	Confident	89	Confident	3 Å²	3	39 Å²	39	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	-178.4	-179.4	0	0	0	0	0	113.1	V417 A505 C506	V417-G508 WeakPolarHBondContact O-CA 3.42Å; A505-G508 CarbonylContact C-O 3.48Å; A505-G508 VanDerWaalsContact C-O 3.29Å; A505-G508 WeakPolarHBondContact CA-O 3.06Å; A505-G508 WeakPolarHBondContact CB-O 3.38Å; A505-G508 PolarHBondContact N-O 2.04Å; A505-G508 VanDerWaalsContact N-O 3.1Å; A505-G508 PolarHBondContact O-N 3.03Å; C506-G508 PolarHBondContact O-N 2.92Å
509	T	91.1	Very high	89.2	Confident	16 Å²	16	41.1 Å²	41.1	10%	0.098	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.5	-175.7	-60.7	0	0	0	0	111.2	S418 V419 E502 Y511	S418-T509 CarbonylContact C-O 3.43Å; S418-T509 VanDerWaalsContact CA-O 3.24Å; S418-T509 WeakPolarHBondContact CA-O 3.47Å; S418-T509 VanDerWaalsContact CB-O 3.28Å; S418-T509 WeakPolarHBondContact CB-O 3.42Å; S418-T509 PolarHBondContact OG-N 3.26Å; V419-T509 PolarHBondContact N-O 2.85Å; E502-T509 HydrophobicContact CB-CG2 4.3Å; T509-Y511 VanDerWaalsContact CB-CZ 3.49Å; T509-Y511 WeakPolarHBondContact CB-OH 3.06Å; T509-Y511 HydrophobicContact CG2-CD1 4.04Å; T509-Y511 HydrophobicContact CG2-CD2 4.14Å; T509-Y511 HydrophobicContact CG2-CE1 3.56Å; T509-Y511 HydrophobicContact CG2-CE2 3.68Å; T509-Y511 HydrophobicContact CG2-CG 4.32Å
510	L	93.7	Very high	89.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	118	170.6	-62.2	-177	0	0	0	109.6	A388 N391 L392 V419 I421 W501 E502 G503	A388-L510 HydrophobicContact CB-CD2 3.94Å; A388-L510 WeakPolarHBondContact O-CD2 3.28Å; N391-L510 HydrophobicContact CB-CD1 4.02Å; L392-L510 HydrophobicContact CD2-CD2 3.75Å; L392-L510 HydrophobicContact CG-CD2 3.96Å; V419-L510 HydrophobicContact CB-CD2 3.72Å; V419-L510 HydrophobicContact CG2-CD2 3.95Å; I421-L510 HydrophobicContact CD1-CB 4.02Å; I421-L510 HydrophobicContact CD1-CD1 4.43Å; I421-L510 HydrophobicContact CD1-CD2 4.36Å; W501-L510 HydrophobicContact CH2-CD1 4.47Å; W501-L510 HydrophobicContact CZ3-CB 4.23Å; E502-L510 CarbonylContact C-O 3.57Å; E502-L510 VanDerWaalsContact CA-O 3.28Å; E502-L510 WeakPolarHBondContact CA-O 3.38Å; G503-L510 PolarHBondContact N-O 2.79Å; G503-L510 PolarHBondContact O-N 2.95Å
511	Y	94.5	Very high	90.4	Very high	7 Å²	7	38.4 Å²	38.4	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	111.6	178.6	-59.8	-81.4	0	0	0	110.1	V419 L420 I421 F447 I451 L498 E502 T509	V419-Y511 PolarHBondContact O-N 2.97Å; L420-Y511 CarbonylContact C-O 3.47Å; L420-Y511 WeakPolarHBondContact CA-O 3.09Å; L420-Y511 HydrophobicContact CD2-CD2 4.23Å; L420-Y511 HydrophobicContact CD2-CG 4.36Å; I421-Y511 PolarHBondContact N-O 3.17Å; F447-Y511 HydrophobicContact CE1-CD2 4.28Å; F447-Y511 HydrophobicContact CE1-CE2 4.43Å; F447-Y511 HydrophobicContact CE2-CE2 4.5Å; F447-Y511 AromaticContact CZ-CD2 3.91Å; F447-Y511 HydrophobicContact CZ-CD2 3.91Å; F447-Y511 AromaticContact CZ-CE2 3.65Å; F447-Y511 HydrophobicContact CZ-CE2 3.65Å; I451-Y511 HydrophobicContact CB-CE1 3.96Å; I451-Y511 HydrophobicContact CB-CE2 4.45Å; I451-Y511 HydrophobicContact CD1-CD1 4.21Å; I451-Y511 HydrophobicContact CD1-CD2 4.05Å; I451-Y511 HydrophobicContact CD1-CE1 4.21Å; I451-Y511 HydrophobicContact CD1-CE2 4.05Å; I451-Y511 HydrophobicContact CD1-CG 4.12Å; I451-Y511 HydrophobicContact CG1-CD2 4.49Å; I451-Y511 HydrophobicContact CG1-CE1 4.25Å; I451-Y511 HydrophobicContact CG1-CE2 3.98Å; I451-Y511 PolarHBondContact N-OH 2.84Å; L498-Y511 HydrophobicContact CD1-CD1 4.39Å; E502-Y511 HydrophobicContact CG-CD1 4.08Å; E502-Y511 HydrophobicContact CG-CE1 4.38Å; E502-Y511 VanDerWaalsContact OE1-CD1 3.26Å; E502-Y511 WeakPolarHBondContact OE1-CD1 3.46Å; E502-Y511 WeakPolarHBondContact OE1-CE1 3.05Å; T509-Y511 VanDerWaalsContact CB-CZ 3.49Å; T509-Y511 WeakPolarHBondContact CB-OH 3.06Å; T509-Y511 HydrophobicContact CG2-CD1 4.04Å; T509-Y511 HydrophobicContact CG2-CD2 4.14Å; T509-Y511 HydrophobicContact CG2-CE1 3.56Å; T509-Y511 HydrophobicContact CG2-CE2 3.68Å; T509-Y511 HydrophobicContact CG2-CG 4.32Å
512	H	94.5	Very high	91	Very high	66 Å²	66	41 Å²	41	31%	0.306	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	139.3	173.9	-167.8	-78.7	0	0	0	110.6	G499 W501	G499-H512 WeakPolarHBondContact CA-O 3.21Å; G499-H512 PolarHBondContact N-O 3.14Å; W501-H512 HydrophobicContact CE3-CB 4.32Å; W501-H512 PolarHBondContact O-N 3.2Å
513	M	94.4	Very high	91.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	149.1	175.7	-54.4	-174.1	74.2	0	0	111.2	L420 I421 Y445 A496 L498 K515 L517	L420-M513 HydrophobicContact CB-CG 4.23Å; L420-M513 HydrophobicContact CB-SD 3.72Å; L420-M513 HydrophobicContact CD1-SD 4.23Å; L420-M513 HydrophobicContact CG-SD 4.41Å; I421-M513 WeakPolarHBondContact O-CB 3.23Å; I421-M513 PolarHBondContact O-N 3.1Å; Y445-M513 HydrophobicContact CD1-SD 4.1Å; Y445-M513 HydrophobicContact CE1-SD 3.94Å; A496-M513 HydrophobicContact CB-CE 3.48Å; A496-M513 VanDerWaalsContact CB-CE 3.48Å; L498-M513 HydrophobicContact CD2-CG 3.91Å; M513-K515 WeakPolarHBondContact CB-O 3.37Å; M513-K515 WeakPolarHBondContact CE-O 3.47Å; M513-L517 HydrophobicContact CE-CD2 3.74Å; M513-L517 HydrophobicContact CE-CG 3.97Å; M513-L517 HydrophobicContact SD-CG 4.3Å
514	R	92	Very high	92.4	Very high	139 Å²	139	37.3 Å²	37.3	53%	0.525	19%	0.193	S	C	.	.	S	Bend	trans	-87.6	-23.4	174	-63.7	-169.3	-177.9	-170.4	-2.7	113.1	K497	K497-R514 PolarHBondContact O-N 3.1Å
515	K	91.7	Very high	93.2	Very high	87 Å²	87	34.6 Å²	34.6	38%	0.378	17%	0.17	S	C	.	.	S	Bend	trans	-136.4	151	176.8	-69.3	-173.5	178.6	-179.1	0	108.7	A496 M513	A496-K515 HydrophobicContact CB-CB 4.48Å; M513-K515 WeakPolarHBondContact CB-O 3.37Å; M513-K515 WeakPolarHBondContact CE-O 3.47Å
516	P	95.4	Very high	93.8	Very high	39 Å²	39	38.3 Å²	38.3	25%	0.253	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-62.6	163.9	171	28.4	-35.3	0	0	0	111.1	Y425 A426 Y445 A496	Y425-P516 HydrophobicContact CE2-CG 4.32Å; Y425-P516 WeakPolarHBondContact OH-CD 3.27Å; A426-P516 HydrophobicContact CB-CB 3.82Å; A426-P516 HydrophobicContact CB-CG 4.21Å; Y445-P516 WeakPolarHBondContact OH-CB 3.1Å; A496-P516 WeakPolarHBondContact CB-O 3.26Å
517	L	96.7	Very high	94.4	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.026	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-66.6	128.3	171.4	-74.1	172.2	0	0	0	109.3	L420 R444 Y445 L469 V493 N494 M513	L420-L517 HydrophobicContact CD1-CD1 4.01Å; L420-L517 HydrophobicContact CD1-CD2 4.27Å; L420-L517 HydrophobicContact CD1-CG 4.39Å; R444-L517 HydrophobicContact CB-CD1 4.16Å; R444-L517 PolarHBondContact NH1-O 3.05Å; R444-L517 VanDerWaalsContact NH1-O 3.16Å; R444-L517 WeakPolarHBondContact O-CD1 3.42Å; Y445-L517 HydrophobicContact CD1-CD1 4.01Å; Y445-L517 HydrophobicContact CD1-CG 4.28Å; Y445-L517 HydrophobicContact CE1-CB 4.12Å; Y445-L517 HydrophobicContact CE1-CD1 3.93Å; Y445-L517 HydrophobicContact CE1-CG 3.81Å; Y445-L517 HydrophobicContact CG-CD1 4.46Å; Y445-L517 PolarHBondContact OH-N 2.88Å; Y445-L517 VanDerWaalsContact OH-N 3.17Å; L469-L517 HydrophobicContact CD2-CD1 4.05Å; L469-L517 HydrophobicContact CD2-CD2 4.38Å; V493-L517 HydrophobicContact CB-CD2 4.14Å; V493-L517 HydrophobicContact CG1-CD2 3.8Å; N494-L517 HydrophobicContact CB-CD2 4.24Å; M513-L517 HydrophobicContact CE-CD2 3.74Å; M513-L517 HydrophobicContact CE-CG 3.97Å; M513-L517 HydrophobicContact SD-CG 4.3Å
518	P	95.9	Very high	95.1	Very high	11 Å²	11	36.5 Å²	36.5	7%	0.071	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-64.7	152.1	176.4	30.8	-36.7	0	0	0	110.6	R444 N494 Y520 D645 V648	R444-P518 PolarHBondContact NH2-O 3.13Å; N494-P518 HydrophobicContact CB-CG 4.3Å; N494-P518 VanDerWaalsContact O-CD 3.24Å; N494-P518 WeakPolarHBondContact O-CD 3.46Å; N494-P518 WeakPolarHBondContact O-CG 3.35Å; P518-Y520 PolarHBondContact O-N 3.48Å; P518-D645 WeakPolarHBondContact CB-O 3.48Å; P518-V648 HydrophobicContact CB-CG1 4.36Å; P518-V648 HydrophobicContact CG-CB 4.45Å; P518-V648 HydrophobicContact CG-CG1 3.67Å; P518-V648 HydrophobicContact CG-CG2 3.93Å
519	P	95.8	Very high	95.5	Very high	55 Å²	55	42.7 Å²	42.7	36%	0.357	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-51.2	132.5	175.6	-26	32.8	0	0	0	112	L527 T646 G647 V648	P519-L527 HydrophobicContact CB-CD2 4.19Å; P519-L527 WeakPolarHBondContact O-CD2 3.42Å; P519-T646 WeakPolarHBondContact CD-O 3.42Å; P519-G647 CarbonylContact O-C 3.37Å; P519-G647 VanDerWaalsContact O-CA 3.26Å; P519-G647 WeakPolarHBondContact O-CA 3.5Å; P519-V648 PolarHBondContact O-N 2.99Å
520	Y	95.8	Very high	95.7	Very high	48 Å²	48	48.8 Å²	48.8	19%	0.188	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-105.2	143	174	172.1	-96.6	0	0	0	111.3	E467 P468 P518 V648	E467-Y520 HydrophobicContact CB-CD1 4.05Å; E467-Y520 HydrophobicContact CB-CG 4.49Å; E467-Y520 HydrophobicContact CG-CD1 3.72Å; E467-Y520 HydrophobicContact CG-CD2 4.27Å; E467-Y520 HydrophobicContact CG-CE1 4.39Å; E467-Y520 HydrophobicContact CG-CG 3.66Å; E467-Y520 VanDerWaalsContact OE1-CB 3.26Å; E467-Y520 WeakPolarHBondContact OE1-CB 3.47Å; P468-Y520 WeakPolarHBondContact CD-OH 3.37Å; P468-Y520 HydrophobicContact CG-CD2 4.41Å; P468-Y520 HydrophobicContact CG-CE1 4.28Å; P468-Y520 HydrophobicContact CG-CE2 3.55Å; P468-Y520 VanDerWaalsContact CG-CZ 3.48Å; P468-Y520 WeakPolarHBondContact CG-OH 3.38Å; P518-Y520 PolarHBondContact O-N 3.48Å; Y520-V648 WeakPolarHBondContact CA-O 3.47Å; Y520-V648 HydrophobicContact CD2-CG2 4.25Å
521	A	95.8	Very high	95.8	Very high	11 Å²	11	51.1 Å²	51.1	9%	0.091	23%	0.228	C	C	.	.			trans	-147.3	166.5	163.8	0	0	0	0	0	110.6	T523 E526 L527 V648 T649	A521-T523 VanDerWaalsContact C-N 3.31Å; A521-E526 HydrophobicContact CB-CB 3.54Å; A521-E526 WeakPolarHBondContact CB-OE2 3.17Å; A521-L527 HydrophobicContact CB-CD2 3.76Å; A521-L527 HydrophobicContact CB-CG 3.75Å; A521-V648 PolarHBondContact N-O 3.24Å; A521-T649 WeakPolarHBondContact O-CA 3.3Å
522	R	95	Very high	95.8	Very high	168 Å²	168	59.6 Å²	59.6	63%	0.634	27%	0.265	S	S	*	.	S	Bend	trans	-72.6	-29.6	-179.2	-70.3	-175.6	176.3	175.4	-0.1	112.1	E526	R522-E526 PolarHBondContact N-OE2 2.94Å
523	T	97.2	Very high	95.9	Very high	12 Å²	12	58.4 Å²	58.4	7%	0.074	26%	0.264	C	S	.	.	S	Bend	trans	-133.4	158.4	-176.4	71.2	0	0	0	0	110.8	A521 M525 E526 L527 L550 N551 P553	A521-T523 VanDerWaalsContact C-N 3.31Å; T523-M525 VanDerWaalsContact C-N 3.3Å; T523-M525 PolarHBondContact O-N 2.89Å; T523-E526 PolarHBondContact O-N 3.02Å; T523-E526 WeakPolarHBondContact OG1-CG 3.26Å; T523-E526 PolarHBondContact OG1-N 3.14Å; T523-L527 PolarHBondContact O-N 3.43Å; T523-L550 WeakPolarHBondContact CB-O 3.47Å; T523-N551 WeakPolarHBondContact CG2-O 3.45Å; T523-P553 HydrophobicContact CG2-CB 4.48Å
524	F	97.8	Very high	96.1	Very high	3 Å²	3	58.4 Å²	58.4	1%	0.013	26%	0.264	C	S	.	.	H	α-helix	trans	-67.1	-34.4	176.3	-80.1	-75.5	0	0	0	111.8	E526 L527 L528 L550 F555 V559 T649 G652 V653 M654	F524-E526 VanDerWaalsContact C-N 3.28Å; F524-E526 PolarHBondContact O-N 3.43Å; F524-L527 HydrophobicContact CD1-CD1 4.31Å; F524-L527 WeakPolarHBondContact O-CB 3.49Å; F524-L527 PolarHBondContact O-N 3.46Å; F524-L527 VanDerWaalsContact O-N 3.15Å; F524-L528 WeakPolarHBondContact O-CB 3.29Å; F524-L528 VanDerWaalsContact O-CG 3.27Å; F524-L528 WeakPolarHBondContact O-CG 3.34Å; F524-L528 PolarHBondContact O-N 3.41Å; F524-L550 HydrophobicContact CB-CB 4.02Å; F524-L550 HydrophobicContact CB-CD1 4.45Å; F524-L550 HydrophobicContact CB-CD2 4.19Å; F524-L550 HydrophobicContact CB-CG 4.45Å; F524-L550 HydrophobicContact CD2-CD2 4.02Å; F524-L550 HydrophobicContact CG-CD2 4.32Å; F524-L550 PolarHBondContact N-O 3.16Å; F524-F555 AromaticContact CD2-CD1 3.7Å; F524-F555 HydrophobicContact CD2-CD1 3.7Å; F524-F555 AromaticContact CD2-CE1 4Å; F524-F555 HydrophobicContact CD2-CE1 4Å; F524-F555 AromaticContact CE2-CD1 3.61Å; F524-F555 HydrophobicContact CE2-CD1 3.61Å; F524-F555 AromaticContact CE2-CE1 3.71Å; F524-F555 HydrophobicContact CE2-CE1 3.71Å; F524-V559 HydrophobicContact CD1-CB 4.07Å; F524-V559 HydrophobicContact CD1-CG2 3.53Å; F524-V559 HydrophobicContact CD2-CG2 4.17Å; F524-V559 HydrophobicContact CE1-CB 3.98Å; F524-V559 HydrophobicContact CE1-CG2 3.53Å; F524-V559 HydrophobicContact CE2-CG2 4.16Å; F524-V559 HydrophobicContact CG-CG2 3.83Å; F524-V559 HydrophobicContact CZ-CG2 3.82Å; F524-T649 HydrophobicContact CD1-CG2 4.21Å; F524-T649 HydrophobicContact CD2-CG2 4.21Å; F524-T649 HydrophobicContact CE1-CG2 4.38Å; F524-T649 HydrophobicContact CE2-CG2 4.39Å; F524-T649 HydrophobicContact CG-CG2 4.15Å; F524-G652 VanDerWaalsContact CZ-CA 3.44Å; F524-V653 WeakPolarHBondContact CE1-O 3.38Å; F524-M654 HydrophobicContact CE1-CB 4.46Å
525	M	97.9	Very high	96.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-33.1	177.4	-68.4	-55.9	-63.3	0	0	112.7	T523 L528 R529 T538 V541 E542 D547 L550 N551	T523-M525 VanDerWaalsContact C-N 3.3Å; T523-M525 PolarHBondContact O-N 2.89Å; M525-L528 HydrophobicContact SD-CD1 3.99Å; M525-R529 WeakPolarHBondContact O-CB 3.47Å; M525-R529 WeakPolarHBondContact O-CD 3.46Å; M525-R529 WeakPolarHBondContact O-CG 3.37Å; M525-R529 PolarHBondContact O-N 3.36Å; M525-T538 HydrophobicContact CE-CG2 3.91Å; M525-V541 HydrophobicContact CE-CG1 4.41Å; M525-V541 HydrophobicContact SD-CG1 3.66Å; M525-E542 HydrophobicContact CE-CG 3.77Å; M525-E542 WeakPolarHBondContact CE-OE1 3.22Å; M525-D547 HydrophobicContact CE-CB 3.98Å; M525-D547 HydrophobicContact CG-CB 4.44Å; M525-D547 HydrophobicContact SD-CB 4.02Å; M525-L550 HydrophobicContact CG-CB 3.86Å; M525-L550 PolarHBondContact N-O 3.07Å; M525-L550 HydrophobicContact SD-CB 4.02Å; M525-N551 WeakPolarHBondContact CB-OD1 3.26Å; M525-N551 HydrophobicContact CG-CB 4.44Å; M525-N551 VanDerWaalsContact CG-OD1 3.29Å; M525-N551 WeakPolarHBondContact CG-OD1 3.38Å
526	E	97.5	Very high	96.5	Very high	90 Å²	90	53.1 Å²	53.1	42%	0.421	25%	0.252	S	S	.	.	H	α-helix	trans	-65.3	-42.3	171.7	-74.6	171.1	-173.7	0	0	112	A521 R522 T523 F524 K530	A521-E526 HydrophobicContact CB-CB 3.54Å; A521-E526 WeakPolarHBondContact CB-OE2 3.17Å; R522-E526 PolarHBondContact N-OE2 2.94Å; T523-E526 PolarHBondContact O-N 3.02Å; T523-E526 WeakPolarHBondContact OG1-CG 3.26Å; T523-E526 PolarHBondContact OG1-N 3.14Å; F524-E526 VanDerWaalsContact C-N 3.28Å; F524-E526 PolarHBondContact O-N 3.43Å; E526-K530 WeakPolarHBondContact O-CB 3.32Å; E526-K530 PolarHBondContact O-N 2.69Å; E526-K530 VanDerWaalsContact O-N 3.13Å
527	L	97.4	Very high	96.7	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-49	174.8	-71.4	173.6	0	0	0	111.5	P519 A521 T523 F524 R529 K530 D531 T649 M654	P519-L527 HydrophobicContact CB-CD2 4.19Å; P519-L527 WeakPolarHBondContact O-CD2 3.42Å; A521-L527 HydrophobicContact CB-CD2 3.76Å; A521-L527 HydrophobicContact CB-CG 3.75Å; T523-L527 PolarHBondContact O-N 3.43Å; F524-L527 HydrophobicContact CD1-CD1 4.31Å; F524-L527 WeakPolarHBondContact O-CB 3.49Å; F524-L527 PolarHBondContact O-N 3.46Å; F524-L527 VanDerWaalsContact O-N 3.15Å; L527-R529 VanDerWaalsContact C-N 3.34Å; L527-R529 PolarHBondContact O-N 2.89Å; L527-K530 WeakPolarHBondContact O-CB 3.46Å; L527-K530 PolarHBondContact O-N 2.96Å; L527-K530 VanDerWaalsContact O-N 3.16Å; L527-D531 PolarHBondContact O-N 3.44Å; L527-T649 HydrophobicContact CD1-CG2 3.81Å; L527-M654 HydrophobicContact CB-CE 4.38Å; L527-M654 HydrophobicContact CB-SD 4.32Å
528	L	98	Very high	96.7	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-59.7	-43.8	-179.1	-71.3	176.3	0	0	0	111.6	F524 M525 K530 D531 L534 F537 T538 V541 L550 T561 M654	F524-L528 WeakPolarHBondContact O-CB 3.29Å; F524-L528 VanDerWaalsContact O-CG 3.27Å; F524-L528 WeakPolarHBondContact O-CG 3.34Å; F524-L528 PolarHBondContact O-N 3.41Å; M525-L528 HydrophobicContact SD-CD1 3.99Å; L528-K530 VanDerWaalsContact C-N 3.3Å; L528-K530 PolarHBondContact O-N 3.4Å; L528-D531 PolarHBondContact O-N 3.01Å; L528-L534 HydrophobicContact CD2-CD1 3.91Å; L528-F537 HydrophobicContact CD1-CD1 4.14Å; L528-F537 HydrophobicContact CD1-CE1 4.09Å; L528-F537 HydrophobicContact CD2-CD1 3.69Å; L528-F537 HydrophobicContact CD2-CE1 3.93Å; L528-T538 HydrophobicContact CB-CG2 4.42Å; L528-V541 HydrophobicContact CD1-CG2 4.4Å; L528-L550 HydrophobicContact CD1-CD1 4.39Å; L528-T561 HydrophobicContact CD2-CG2 3.65Å; L528-M654 HydrophobicContact CD2-SD 3.84Å
529	R	97.5	Very high	96.7	Very high	134 Å²	134	55 Å²	55	51%	0.506	26%	0.263	S	S	.	.	H	α-helix	trans	-71.5	-23	178.8	-70.9	172.3	-177.3	146.6	0.3	113.6	M525 L527 T538 E542	M525-R529 WeakPolarHBondContact O-CB 3.47Å; M525-R529 WeakPolarHBondContact O-CD 3.46Å; M525-R529 WeakPolarHBondContact O-CG 3.37Å; M525-R529 PolarHBondContact O-N 3.36Å; L527-R529 VanDerWaalsContact C-N 3.34Å; L527-R529 PolarHBondContact O-N 2.89Å; R529-T538 HydrophobicContact CG-CG2 4.09Å; R529-E542 IonicContact CZ-OE1 3.67Å; R529-E542 IonicContact NE-OE1 3.68Å; R529-E542 IonicContact NH2-OE1 2.8Å; R529-E542 PolarHBondContact NH2-OE1 3.45Å
530	K	95.1	Very high	96.8	Very high	144 Å²	144	52.8 Å²	52.8	63%	0.626	25%	0.248	S	C	*	.	H	α-helix	trans	-74.5	-30.1	177.2	-169.7	176.5	-179.8	-179	0	111.9	E526 L527 L528	E526-K530 WeakPolarHBondContact O-CB 3.32Å; E526-K530 PolarHBondContact O-N 2.69Å; E526-K530 VanDerWaalsContact O-N 3.13Å; L527-K530 WeakPolarHBondContact O-CB 3.46Å; L527-K530 PolarHBondContact O-N 2.96Å; L527-K530 VanDerWaalsContact O-N 3.16Å; L528-K530 VanDerWaalsContact C-N 3.3Å; L528-K530 PolarHBondContact O-N 3.4Å
531	D	95.6	Very high	96.9	Very high	49 Å²	49	50.5 Å²	50.5	26%	0.262	24%	0.239	S	C	.	.			trans	-92.7	106.1	179.5	-167.8	-23.2	0	0	0	111.6	L527 L528 S533 L534	L527-D531 PolarHBondContact O-N 3.44Å; L528-D531 PolarHBondContact O-N 3.01Å; D531-S533 VanDerWaalsContact CG-OG 3.31Å; D531-S533 PolarHBondContact O-N 2.93Å; D531-S533 VanDerWaalsContact O-N 3.11Å; D531-S533 WeakPolarHBondContact OD1-CB 3.34Å; D531-S533 PolarHBondContact OD1-N 3.4Å; D531-S533 PolarHBondContact OD1-OG 3.3Å; D531-S533 PolarHBondContact OD2-OG 3.05Å; D531-L534 HydrophobicContact CB-CB 4.45Å; D531-L534 HydrophobicContact CB-CD1 3.79Å; D531-L534 HydrophobicContact CB-CG 3.89Å; D531-L534 PolarHBondContact O-N 3.29Å; D531-L534 VanDerWaalsContact O-N 3.12Å
532	K	95.9	Very high	96.9	Very high	184 Å²	184	53.6 Å²	53.6	80%	0.8	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-10.3	-179.5	-63.9	-176.6	-179.6	179.5	0	114	L534	K532-L534 VanDerWaalsContact C-N 3.33Å
533	S	96.4	Very high	97	Very high	42 Å²	42	47.7 Å²	47.7	29%	0.294	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.7	175.9	73.2	0	0	0	0	113.5	D531 T563 D564	D531-S533 VanDerWaalsContact CG-OG 3.31Å; D531-S533 PolarHBondContact O-N 2.93Å; D531-S533 VanDerWaalsContact O-N 3.11Å; D531-S533 WeakPolarHBondContact OD1-CB 3.34Å; D531-S533 PolarHBondContact OD1-N 3.4Å; D531-S533 PolarHBondContact OD1-OG 3.3Å; D531-S533 PolarHBondContact OD2-OG 3.05Å; S533-T563 CarbonylContact O-C 3.53Å; S533-T563 WeakPolarHBondContact O-CA 3.38Å; S533-D564 VanDerWaalsContact O-CG 3.24Å; S533-D564 PolarHBondContact O-N 2.78Å
534	L	97.6	Very high	96.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.236	C	C	.	.			trans	-112.8	22.8	-173.9	-54.6	-175.7	0	0	0	113	L528 D531 K532 Q536 F537 T538 T561 F562 M654	L528-L534 HydrophobicContact CD2-CD1 3.91Å; D531-L534 HydrophobicContact CB-CB 4.45Å; D531-L534 HydrophobicContact CB-CD1 3.79Å; D531-L534 HydrophobicContact CB-CG 3.89Å; D531-L534 PolarHBondContact O-N 3.29Å; D531-L534 VanDerWaalsContact O-N 3.12Å; K532-L534 VanDerWaalsContact C-N 3.33Å; L534-Q536 PolarHBondContact O-N 3.38Å; L534-F537 PolarHBondContact O-N 2.78Å; L534-T538 WeakPolarHBondContact O-CB 3.44Å; L534-T538 PolarHBondContact O-N 3.07Å; L534-T538 PolarHBondContact O-OG1 2.88Å; L534-T561 HydrophobicContact CD1-CG2 4.07Å; L534-F562 WeakPolarHBondContact CD2-O 3.5Å; L534-M654 HydrophobicContact CD1-CE 4.14Å; L534-M654 HydrophobicContact CD1-SD 4.35Å
535	T	97.7	Very high	96.8	Very high	73 Å²	73	48.6 Å²	48.6	45%	0.448	25%	0.251	S	S	.	.	H	α-helix	trans	-64.3	-42	-172.7	65	0	0	0	0	112.5	T538 T539 D564	T535-T538 WeakPolarHBondContact O-CB 3.46Å; T535-T538 PolarHBondContact O-N 3.06Å; T535-T539 PolarHBondContact O-N 2.65Å; T535-T539 PolarHBondContact O-OG1 3.49Å; T535-D564 PolarHBondContact N-OD1 2.71Å; T535-D564 VanDerWaalsContact N-OD1 3.1Å; T535-D564 PolarHBondContact N-OD2 2.78Å; T535-D564 PolarHBondContact OG1-OD2 2.87Å
536	Q	95.6	Very high	96.8	Very high	42 Å²	42	49.3 Å²	49.3	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-68.6	-41.4	178.2	-64.6	-167.9	69	0	0	110.9	L534 T538 T539 L540 D564 F567 D568	L534-Q536 PolarHBondContact O-N 3.38Å; Q536-T538 VanDerWaalsContact C-N 3.3Å; Q536-T538 PolarHBondContact O-N 3.3Å; Q536-T539 PolarHBondContact O-N 3.04Å; Q536-L540 WeakPolarHBondContact O-CB 3.34Å; Q536-L540 WeakPolarHBondContact O-CG 3.32Å; Q536-L540 PolarHBondContact O-N 3.31Å; Q536-D564 VanDerWaalsContact CB-OD1 3.24Å; Q536-D564 WeakPolarHBondContact CB-OD1 3.4Å; Q536-D564 HydrophobicContact CG-CB 4.21Å; Q536-D564 WeakPolarHBondContact CG-OD1 3.44Å; Q536-D564 PolarHBondContact N-OD1 2.92Å; Q536-D564 PolarHBondContact NE2-O 3.46Å; Q536-F567 HydrophobicContact CB-CD1 4.31Å; Q536-D568 PolarHBondContact NE2-OD1 2.85Å; Q536-D568 PolarHBondContact NE2-OD2 3.3Å; Q536-D568 PolarHBondContact OE1-OD1 3.42Å
537	F	97.6	Very high	96.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-46.2	173.5	-172.6	-86.8	0	0	0	111	L528 L534 T539 L540 V541 V559 M560 T561 F562 I590 H593	L528-F537 HydrophobicContact CD1-CD1 4.14Å; L528-F537 HydrophobicContact CD1-CE1 4.09Å; L528-F537 HydrophobicContact CD2-CD1 3.69Å; L528-F537 HydrophobicContact CD2-CE1 3.93Å; L534-F537 PolarHBondContact O-N 2.78Å; F537-T539 PolarHBondContact O-N 3.42Å; F537-L540 PolarHBondContact O-N 3.06Å; F537-V541 HydrophobicContact CD1-CG2 3.88Å; F537-V541 HydrophobicContact CE1-CG2 3.55Å; F537-V541 HydrophobicContact CZ-CG2 4.2Å; F537-V541 WeakPolarHBondContact O-CG2 3.5Å; F537-V541 PolarHBondContact O-N 3.33Å; F537-V559 HydrophobicContact CE1-CG1 3.86Å; F537-V559 HydrophobicContact CZ-CG1 3.85Å; F537-M560 WeakPolarHBondContact CE2-O 3.45Å; F537-T561 HydrophobicContact CD1-CG2 4.21Å; F537-T561 HydrophobicContact CE1-CG2 4.01Å; F537-T561 HydrophobicContact CZ-CG2 4.28Å; F537-F562 HydrophobicContact CB-CE2 4.27Å; F537-F562 AromaticContact CD2-CD1 3.71Å; F537-F562 HydrophobicContact CD2-CD1 3.71Å; F537-F562 HydrophobicContact CD2-CD2 4.16Å; F537-F562 AromaticContact CD2-CE1 3.41Å; F537-F562 HydrophobicContact CD2-CE1 3.41Å; F537-F562 VanDerWaalsContact CD2-CE1 3.41Å; F537-F562 AromaticContact CD2-CE2 3.87Å; F537-F562 HydrophobicContact CD2-CE2 3.87Å; F537-F562 HydrophobicContact CD2-CG 4.09Å; F537-F562 AromaticContact CD2-CZ 3.5Å; F537-F562 HydrophobicContact CD2-CZ 3.5Å; F537-F562 AromaticContact CE2-CD1 3.97Å; F537-F562 HydrophobicContact CE2-CD1 3.97Å; F537-F562 AromaticContact CE2-CE1 3.65Å; F537-F562 HydrophobicContact CE2-CE1 3.65Å; F537-F562 HydrophobicContact CE2-CZ 4.14Å; F537-I590 HydrophobicContact CE2-CD1 4.46Å; F537-H593 HydrophobicContact CE2-CB 4.36Å
538	T	97.9	Very high	96.7	Very high	11 Å²	11	50.9 Å²	50.9	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-59.4	-46.9	177.1	-53.2	0	0	0	0	111.5	M525 L528 R529 L534 T535 Q536 L540 V541 E542	M525-T538 HydrophobicContact CE-CG2 3.91Å; L528-T538 HydrophobicContact CB-CG2 4.42Å; R529-T538 HydrophobicContact CG-CG2 4.09Å; L534-T538 WeakPolarHBondContact O-CB 3.44Å; L534-T538 PolarHBondContact O-N 3.07Å; L534-T538 PolarHBondContact O-OG1 2.88Å; T535-T538 WeakPolarHBondContact O-CB 3.46Å; T535-T538 PolarHBondContact O-N 3.06Å; Q536-T538 VanDerWaalsContact C-N 3.3Å; Q536-T538 PolarHBondContact O-N 3.3Å; T538-L540 VanDerWaalsContact C-N 3.34Å; T538-L540 PolarHBondContact O-N 3.01Å; T538-V541 WeakPolarHBondContact O-CB 3.28Å; T538-V541 PolarHBondContact O-N 3.32Å; T538-E542 PolarHBondContact O-N 3.11Å; T538-E542 VanDerWaalsContact O-N 3.1Å
539	T	96.4	Very high	96.6	Very high	83 Å²	83	54.8 Å²	54.8	51%	0.509	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-39.7	176.4	-57.9	0	0	0	0	112.3	T535 Q536 F537 E542 A543	T535-T539 PolarHBondContact O-N 2.65Å; T535-T539 PolarHBondContact O-OG1 3.49Å; Q536-T539 PolarHBondContact O-N 3.04Å; F537-T539 PolarHBondContact O-N 3.42Å; T539-E542 PolarHBondContact O-N 2.84Å; T539-A543 VanDerWaalsContact O-CB 3.3Å; T539-A543 WeakPolarHBondContact O-CB 3.46Å; T539-A543 PolarHBondContact O-N 3.08Å
540	L	97	Very high	96.6	Very high	8 Å²	8	48.5 Å²	48.5	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-67	-37.4	177.8	-67.9	168.2	0	0	0	112	Q536 F537 T538 A544 F562 F567 L579 L580 L586 F589 I590	Q536-L540 WeakPolarHBondContact O-CB 3.34Å; Q536-L540 WeakPolarHBondContact O-CG 3.32Å; Q536-L540 PolarHBondContact O-N 3.31Å; F537-L540 PolarHBondContact O-N 3.06Å; T538-L540 VanDerWaalsContact C-N 3.34Å; T538-L540 PolarHBondContact O-N 3.01Å; L540-A544 WeakPolarHBondContact O-CB 3.46Å; L540-A544 PolarHBondContact O-N 2.89Å; L540-F562 HydrophobicContact CD1-CE2 4.28Å; L540-F562 HydrophobicContact CD1-CZ 4Å; L540-F567 HydrophobicContact CD1-CD2 4.3Å; L540-F567 HydrophobicContact CD1-CE1 4.22Å; L540-F567 HydrophobicContact CD1-CE2 3.76Å; L540-F567 HydrophobicContact CD1-CZ 3.71Å; L540-F567 HydrophobicContact CD2-CZ 4.43Å; L540-L579 HydrophobicContact CD2-CD2 4.33Å; L540-L580 HydrophobicContact CD2-CD2 3.87Å; L540-L586 HydrophobicContact CB-CD1 4.26Å; L540-L586 HydrophobicContact CD2-CD1 3.72Å; L540-F589 HydrophobicContact CD1-CE1 4.34Å; L540-I590 HydrophobicContact CB-CD1 3.69Å; L540-I590 HydrophobicContact CB-CG1 4.14Å; L540-I590 HydrophobicContact CD1-CD1 4.37Å
541	V	97.7	Very high	96.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-45.8	174.1	165.8	0	0	0	0	111.4	M525 L528 F537 T538 A544 G545 L546 D547 L550 I590	M525-V541 HydrophobicContact CE-CG1 4.41Å; M525-V541 HydrophobicContact SD-CG1 3.66Å; L528-V541 HydrophobicContact CD1-CG2 4.4Å; F537-V541 HydrophobicContact CD1-CG2 3.88Å; F537-V541 HydrophobicContact CE1-CG2 3.55Å; F537-V541 HydrophobicContact CZ-CG2 4.2Å; F537-V541 WeakPolarHBondContact O-CG2 3.5Å; F537-V541 PolarHBondContact O-N 3.33Å; T538-V541 WeakPolarHBondContact O-CB 3.28Å; T538-V541 PolarHBondContact O-N 3.32Å; V541-A544 PolarHBondContact O-N 3.25Å; V541-G545 PolarHBondContact O-N 3.47Å; V541-L546 HydrophobicContact CG1-CB 4.32Å; V541-L546 PolarHBondContact O-N 2.63Å; V541-D547 HydrophobicContact CG1-CB 4.23Å; V541-L550 HydrophobicContact CG1-CD1 3.76Å; V541-L550 HydrophobicContact CG2-CD1 4.32Å; V541-I590 HydrophobicContact CG2-CG2 3.8Å
542	E	97	Very high	96.7	Very high	76 Å²	76	45.4 Å²	45.4	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-66.2	-45.1	178	-69.8	175.2	164.6	0	0	111.1	M525 R529 T538 T539 A544 G545 D547	M525-E542 HydrophobicContact CE-CG 3.77Å; M525-E542 WeakPolarHBondContact CE-OE1 3.22Å; R529-E542 IonicContact CZ-OE1 3.67Å; R529-E542 IonicContact NE-OE1 3.68Å; R529-E542 IonicContact NH2-OE1 2.8Å; R529-E542 PolarHBondContact NH2-OE1 3.45Å; T538-E542 PolarHBondContact O-N 3.11Å; T538-E542 VanDerWaalsContact O-N 3.1Å; T539-E542 PolarHBondContact O-N 2.84Å; E542-A544 VanDerWaalsContact C-N 3.28Å; E542-A544 PolarHBondContact O-N 3.16Å; E542-G545 PolarHBondContact O-N 2.73Å; E542-D547 HydrophobicContact CB-CB 4.49Å; E542-D547 HydrophobicContact CG-CB 3.87Å
543	A	95.8	Very high	96.7	Very high	45 Å²	45	39.8 Å²	39.8	37%	0.372	24%	0.239	S	C	.	.	H	α-helix	trans	-64.3	-31.9	176	0	0	0	0	0	112.8	T539 G545 L580 L586	T539-A543 VanDerWaalsContact O-CB 3.3Å; T539-A543 WeakPolarHBondContact O-CB 3.46Å; T539-A543 PolarHBondContact O-N 3.08Å; A543-G545 PolarHBondContact O-N 3.18Å; A543-L580 HydrophobicContact CB-CD2 4.27Å; A543-L586 HydrophobicContact CB-CD2 3.63Å
544	A	96.6	Very high	96.6	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.017	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-15.8	172.2	0	0	0	0	0	113.3	L540 V541 E542 L546 L586 I590	L540-A544 WeakPolarHBondContact O-CB 3.46Å; L540-A544 PolarHBondContact O-N 2.89Å; V541-A544 PolarHBondContact O-N 3.25Å; E542-A544 VanDerWaalsContact C-N 3.28Å; E542-A544 PolarHBondContact O-N 3.16Å; A544-L546 VanDerWaalsContact C-N 3.26Å; A544-L546 HydrophobicContact CB-CB 4.41Å; A544-L546 HydrophobicContact CB-CD1 4.03Å; A544-L546 HydrophobicContact CB-CG 4.05Å; A544-L586 HydrophobicContact CB-CD2 4.38Å; A544-L586 HydrophobicContact CB-CG 4Å; A544-I590 HydrophobicContact CB-CB 4.34Å; A544-I590 HydrophobicContact CB-CG1 4.27Å
545	G	95.7	Very high	96.6	Very high	32 Å²	32	43.4 Å²	43.4	33%	0.33	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	18.6	-171.9	0	0	0	0	0	114	V541 E542 A543 S548	V541-G545 PolarHBondContact O-N 3.47Å; E542-G545 PolarHBondContact O-N 2.73Å; A543-G545 PolarHBondContact O-N 3.18Å; G545-S548 PolarHBondContact O-OG 3.05Å
546	L	96.3	Very high	96.5	Very high	14 Å²	14	42.2 Å²	42.2	7%	0.073	25%	0.252	C	S	.	.			trans	-90.1	-9.3	179.1	-70.4	174.1	0	0	0	112.6	V541 A544 S548 K549 L550 I590 I594 L620	V541-L546 HydrophobicContact CG1-CB 4.32Å; V541-L546 PolarHBondContact O-N 2.63Å; A544-L546 VanDerWaalsContact C-N 3.26Å; A544-L546 HydrophobicContact CB-CB 4.41Å; A544-L546 HydrophobicContact CB-CD1 4.03Å; A544-L546 HydrophobicContact CB-CG 4.05Å; L546-S548 VanDerWaalsContact C-N 3.27Å; L546-S548 PolarHBondContact O-N 3.39Å; L546-K549 PolarHBondContact O-N 3.13Å; L546-K549 VanDerWaalsContact O-N 3.13Å; L546-L550 PolarHBondContact O-N 3.15Å; L546-I590 HydrophobicContact CD1-CB 3.82Å; L546-I590 HydrophobicContact CD1-CG2 3.51Å; L546-I594 HydrophobicContact CD1-CD1 4.38Å; L546-L620 HydrophobicContact CD2-CD2 3.94Å
547	D	96.6	Very high	96.5	Very high	45 Å²	45	40.2 Å²	40.2	24%	0.241	24%	0.243	C	C	.	.	H	α-helix	trans	-57.3	-38.2	173.1	67	-48.1	0	0	0	112.2	M525 V541 E542 K549 L550 N551	M525-D547 HydrophobicContact CE-CB 3.98Å; M525-D547 HydrophobicContact CG-CB 4.44Å; M525-D547 HydrophobicContact SD-CB 4.02Å; V541-D547 HydrophobicContact CG1-CB 4.23Å; E542-D547 HydrophobicContact CB-CB 4.49Å; E542-D547 HydrophobicContact CG-CB 3.87Å; D547-K549 VanDerWaalsContact C-N 3.28Å; D547-K549 PolarHBondContact O-N 3.23Å; D547-L550 CarbonylContact O-C 3.46Å; D547-L550 PolarHBondContact O-N 3.43Å; D547-N551 WeakPolarHBondContact O-CB 3.34Å; D547-N551 VanDerWaalsContact O-CG 3.29Å; D547-N551 PolarHBondContact O-N 3.17Å; D547-N551 PolarHBondContact O-ND2 3.36Å
548	S	96.2	Very high	96.6	Very high	84 Å²	84	40.2 Å²	40.2	59%	0.587	24%	0.243	S	C	*	.	H	α-helix	trans	-55.9	-42.6	174.4	60.7	0	0	0	0	112.3	G545 L546	G545-S548 PolarHBondContact O-OG 3.05Å; L546-S548 VanDerWaalsContact C-N 3.27Å; L546-S548 PolarHBondContact O-N 3.39Å
549	K	96.1	Very high	96.6	Very high	83 Å²	83	39.7 Å²	39.7	36%	0.361	24%	0.24	S	C	.	.	H	α-helix	trans	-74.1	-38.1	177.4	-168.8	171.3	-168	175.4	0	112.1	L546 D547 N551 D552 F555 L620	L546-K549 PolarHBondContact O-N 3.13Å; L546-K549 VanDerWaalsContact O-N 3.13Å; D547-K549 VanDerWaalsContact C-N 3.28Å; D547-K549 PolarHBondContact O-N 3.23Å; K549-N551 VanDerWaalsContact C-N 3.35Å; K549-D552 WeakPolarHBondContact O-CB 3.26Å; K549-D552 PolarHBondContact O-N 2.75Å; K549-F555 HydrophobicContact CD-CD2 4.1Å; K549-F555 HydrophobicContact CD-CE2 4.05Å; K549-F555 VanDerWaalsContact CE-CD2 3.45Å; K549-F555 HydrophobicContact CG-CD2 3.76Å; K549-F555 HydrophobicContact CG-CE2 4.15Å; K549-F555 HydrophobicContact CG-CG 4.24Å; K549-F555 WeakPolarHBondContact O-CB 3.28Å; K549-L620 HydrophobicContact CD-CD1 4.33Å; K549-L620 HydrophobicContact CD-CD2 4.09Å
550	L	97.1	Very high	96.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-80.2	-14.6	-180	-67.2	-168.9	0	0	0	113.9	T523 F524 M525 L528 V541 L546 D547 F555 V559 I594	T523-L550 WeakPolarHBondContact CB-O 3.47Å; F524-L550 HydrophobicContact CB-CB 4.02Å; F524-L550 HydrophobicContact CB-CD1 4.45Å; F524-L550 HydrophobicContact CB-CD2 4.19Å; F524-L550 HydrophobicContact CB-CG 4.45Å; F524-L550 HydrophobicContact CD2-CD2 4.02Å; F524-L550 HydrophobicContact CG-CD2 4.32Å; F524-L550 PolarHBondContact N-O 3.16Å; M525-L550 HydrophobicContact CG-CB 3.86Å; M525-L550 PolarHBondContact N-O 3.07Å; M525-L550 HydrophobicContact SD-CB 4.02Å; L528-L550 HydrophobicContact CD1-CD1 4.39Å; V541-L550 HydrophobicContact CG1-CD1 3.76Å; V541-L550 HydrophobicContact CG2-CD1 4.32Å; L546-L550 PolarHBondContact O-N 3.15Å; D547-L550 CarbonylContact O-C 3.46Å; D547-L550 PolarHBondContact O-N 3.43Å; L550-F555 HydrophobicContact CD2-CD1 3.66Å; L550-F555 HydrophobicContact CD2-CE1 3.4Å; L550-F555 VanDerWaalsContact CD2-CE1 3.4Å; L550-F555 HydrophobicContact CD2-CZ 4.17Å; L550-V559 HydrophobicContact CD2-CG2 4.16Å; L550-I594 HydrophobicContact CD1-CD1 4.16Å; L550-I594 HydrophobicContact CD2-CD1 4.32Å
551	N	97.2	Very high	96.7	Very high	59 Å²	59	35.4 Å²	35.4	32%	0.316	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.2	167.6	-79.8	-49.4	0	0	0	112.8	T523 M525 D547 K549 P553	T523-N551 WeakPolarHBondContact CG2-O 3.45Å; M525-N551 WeakPolarHBondContact CB-OD1 3.26Å; M525-N551 HydrophobicContact CG-CB 4.44Å; M525-N551 VanDerWaalsContact CG-OD1 3.29Å; M525-N551 WeakPolarHBondContact CG-OD1 3.38Å; D547-N551 WeakPolarHBondContact O-CB 3.34Å; D547-N551 VanDerWaalsContact O-CG 3.29Å; D547-N551 PolarHBondContact O-N 3.17Å; D547-N551 PolarHBondContact O-ND2 3.36Å; K549-N551 VanDerWaalsContact C-N 3.35Å; N551-P553 WeakPolarHBondContact O-CD 3.09Å
552	D	97	Very high	96.7	Very high	69 Å²	69	35.4 Å²	35.4	37%	0.369	21%	0.214	S	C	.	.			trans	-78.2	115.1	175.4	-177.1	-9.8	0	0	0	109.7	K549 T554 F555	K549-D552 WeakPolarHBondContact O-CB 3.26Å; K549-D552 PolarHBondContact O-N 2.75Å; D552-T554 PolarHBondContact O-N 2.71Å; D552-T554 VanDerWaalsContact O-N 3.17Å; D552-T554 WeakPolarHBondContact OD1-CB 3.35Å; D552-T554 PolarHBondContact OD1-N 2.91Å; D552-T554 PolarHBondContact OD1-OG1 2.87Å; D552-T554 PolarHBondContact OD2-OG1 3.25Å; D552-T554 VanDerWaalsContact OD2-OG1 3.07Å; D552-F555 HydrophobicContact CB-CB 4.3Å; D552-F555 VanDerWaalsContact O-CB 3.27Å; D552-F555 WeakPolarHBondContact O-CB 3.33Å; D552-F555 PolarHBondContact O-N 3.19Å
553	P	94.8	Very high	96.7	Very high	66 Å²	66	33.1 Å²	33.1	43%	0.429	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.4	179.5	28.2	-35.6	0	0	0	113.2	T523 N551 F555 N651	T523-P553 HydrophobicContact CG2-CB 4.48Å; N551-P553 WeakPolarHBondContact O-CD 3.09Å; P553-F555 VanDerWaalsContact C-N 3.33Å; P553-N651 PolarHBondContact O-ND2 3.34Å
554	T	95.2	Very high	96.7	Very high	100 Å²	100	32.2 Å²	32.2	61%	0.613	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.3	176.1	74.4	0	0	0	0	112.8	D552 S556	D552-T554 PolarHBondContact O-N 2.71Å; D552-T554 VanDerWaalsContact O-N 3.17Å; D552-T554 WeakPolarHBondContact OD1-CB 3.35Å; D552-T554 PolarHBondContact OD1-N 2.91Å; D552-T554 PolarHBondContact OD1-OG1 2.87Å; D552-T554 PolarHBondContact OD2-OG1 3.25Å; D552-T554 VanDerWaalsContact OD2-OG1 3.07Å; T554-S556 PolarHBondContact O-N 3.19Å
555	F	96.5	Very high	96.7	Very high	19 Å²	19	35.5 Å²	35.5	8%	0.083	22%	0.217	C	C	.	.			trans	-62.9	125.7	177.7	174.8	-107.3	0	0	0	110.7	F524 K549 L550 D552 P553 I594	F524-F555 AromaticContact CD2-CD1 3.7Å; F524-F555 HydrophobicContact CD2-CD1 3.7Å; F524-F555 AromaticContact CD2-CE1 4Å; F524-F555 HydrophobicContact CD2-CE1 4Å; F524-F555 AromaticContact CE2-CD1 3.61Å; F524-F555 HydrophobicContact CE2-CD1 3.61Å; F524-F555 AromaticContact CE2-CE1 3.71Å; F524-F555 HydrophobicContact CE2-CE1 3.71Å; K549-F555 HydrophobicContact CD-CD2 4.1Å; K549-F555 HydrophobicContact CD-CE2 4.05Å; K549-F555 VanDerWaalsContact CE-CD2 3.45Å; K549-F555 HydrophobicContact CG-CD2 3.76Å; K549-F555 HydrophobicContact CG-CE2 4.15Å; K549-F555 HydrophobicContact CG-CG 4.24Å; K549-F555 WeakPolarHBondContact O-CB 3.28Å; L550-F555 HydrophobicContact CD2-CD1 3.66Å; L550-F555 HydrophobicContact CD2-CE1 3.4Å; L550-F555 VanDerWaalsContact CD2-CE1 3.4Å; L550-F555 HydrophobicContact CD2-CZ 4.17Å; D552-F555 HydrophobicContact CB-CB 4.3Å; D552-F555 VanDerWaalsContact O-CB 3.27Å; D552-F555 WeakPolarHBondContact O-CB 3.33Å; D552-F555 PolarHBondContact O-N 3.19Å; P553-F555 VanDerWaalsContact C-N 3.33Å; F555-I594 HydrophobicContact CE1-CG2 4.23Å; F555-I594 HydrophobicContact CZ-CG2 3.7Å
556	S	95.9	Very high	96.7	Very high	48 Å²	48	34.2 Å²	34.2	34%	0.336	20%	0.203	S	C	.	.			trans	-112.7	128.3	177.7	-167.6	0	0	0	0	110.7	T554 P598 N651	T554-S556 PolarHBondContact O-N 3.19Å; S556-P598 VanDerWaalsContact OG-CD 3.28Å; S556-P598 WeakPolarHBondContact OG-CD 3.35Å; S556-P598 WeakPolarHBondContact OG-CG 3.42Å; S556-N651 WeakPolarHBondContact CA-O 3.39Å; S556-N651 WeakPolarHBondContact CB-O 3.49Å; S556-N651 PolarHBondContact OG-O 3.27Å
557	G	97	Very high	96.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.8	179	-174.3	0	0	0	0	0	113.9	L595 K597 P598 N651 G652 V653	G557-L595 CarbonylContact C-O 3.36Å; G557-L595 WeakPolarHBondContact CA-O 3.45Å; G557-K597 CarbonylContact C-O 3.57Å; G557-P598 WeakPolarHBondContact O-CA 3.32Å; G557-N651 PolarHBondContact N-O 3.04Å; G557-G652 WeakPolarHBondContact O-CA 3.43Å; G557-V653 PolarHBondContact O-N 3.1Å; G557-V653 VanDerWaalsContact O-N 3.16Å
558	T	97.9	Very high	96.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.7	172.6	-53.1	0	0	0	0	109.5	M560 I594 L595 K597 P598 Y599 V653 H655	T558-M560 HydrophobicContact CG2-CE 3.81Å; T558-I594 CarbonylContact O-C 3.5Å; T558-I594 VanDerWaalsContact O-CA 3.31Å; T558-I594 WeakPolarHBondContact O-CA 3.35Å; T558-L595 HydrophobicContact CG2-CD1 4.48Å; T558-L595 PolarHBondContact N-O 3.14Å; T558-L595 PolarHBondContact O-N 2.87Å; T558-K597 PolarHBondContact N-O 2.81Å; T558-K597 VanDerWaalsContact N-O 3.16Å; T558-K597 PolarHBondContact OG1-O 2.75Å; T558-P598 WeakPolarHBondContact OG1-CA 3.44Å; T558-Y599 PolarHBondContact OG1-N 2.74Å; T558-V653 CarbonylContact C-O 3.56Å; T558-V653 WeakPolarHBondContact CA-O 3.21Å; T558-H655 WeakPolarHBondContact CG2-CD2 3.29Å; T558-H655 WeakPolarHBondContact CG2-NE2 3.07Å
559	V	98.2	Very high	96.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.1	178.8	-178.3	0	0	0	0	109.6	F524 F537 L550 T561 I594 V653 M654 H655	F524-V559 HydrophobicContact CD1-CB 4.07Å; F524-V559 HydrophobicContact CD1-CG2 3.53Å; F524-V559 HydrophobicContact CD2-CG2 4.17Å; F524-V559 HydrophobicContact CE1-CB 3.98Å; F524-V559 HydrophobicContact CE1-CG2 3.53Å; F524-V559 HydrophobicContact CE2-CG2 4.16Å; F524-V559 HydrophobicContact CG-CG2 3.83Å; F524-V559 HydrophobicContact CZ-CG2 3.82Å; F537-V559 HydrophobicContact CE1-CG1 3.86Å; F537-V559 HydrophobicContact CZ-CG1 3.85Å; L550-V559 HydrophobicContact CD2-CG2 4.16Å; V559-T561 HydrophobicContact CG1-CG2 3.91Å; V559-I594 HydrophobicContact CG2-CG1 4.36Å; V559-I594 HydrophobicContact CG2-CG2 4.49Å; V559-V653 PolarHBondContact N-O 3.43Å; V559-M654 HydrophobicContact CB-CG 4.47Å; V559-M654 WeakPolarHBondContact O-CA 3.5Å; V559-H655 PolarHBondContact O-N 3.48Å
560	M	97.6	Very high	96.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	102	173.9	-59.3	-67.7	174.6	0	0	108.9	F537 T558 H593 L595 L604 I627 F636 I641 H655 L657	F537-M560 WeakPolarHBondContact CE2-O 3.45Å; T558-M560 HydrophobicContact CG2-CE 3.81Å; M560-H593 WeakPolarHBondContact CA-O 3.43Å; M560-H593 HydrophobicContact CB-CB 4.43Å; M560-H593 VanDerWaalsContact CB-O 3.27Å; M560-H593 WeakPolarHBondContact CB-O 3.47Å; M560-H593 PolarHBondContact N-O 2.8Å; M560-H593 WeakPolarHBondContact O-CB 3.27Å; M560-H593 PolarHBondContact O-CD2 2.97Å; M560-L595 HydrophobicContact CE-CD1 3.83Å; M560-L595 HydrophobicContact CE-CG 4.46Å; M560-L604 HydrophobicContact CE-CD1 4.03Å; M560-I627 HydrophobicContact CE-CD1 4.33Å; M560-F636 HydrophobicContact CE-CD2 3.67Å; M560-F636 HydrophobicContact CE-CE2 3.87Å; M560-F636 HydrophobicContact CG-CD1 4.49Å; M560-F636 HydrophobicContact CG-CD2 3.84Å; M560-F636 HydrophobicContact CG-CE1 4.38Å; M560-F636 HydrophobicContact CG-CE2 3.71Å; M560-F636 HydrophobicContact CG-CG 4.22Å; M560-F636 HydrophobicContact CG-CZ 4.01Å; M560-F636 HydrophobicContact SD-CD2 4.03Å; M560-F636 HydrophobicContact SD-CE2 4.39Å; M560-F636 HydrophobicContact SD-CG 4.49Å; M560-I641 HydrophobicContact CE-CD1 4.5Å; M560-I641 HydrophobicContact SD-CD1 4.46Å; M560-H655 HydrophobicContact SD-CB 3.88Å; M560-L657 HydrophobicContact CB-CD1 3.92Å; M560-L657 HydrophobicContact CB-CD2 4.39Å; M560-L657 HydrophobicContact CB-CG 4.05Å; M560-L657 HydrophobicContact SD-CD2 4.28Å
561	T	97.9	Very high	95.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	169	-179.6	62.8	0	0	0	0	111.7	L528 L534 F537 V559 M654 H655 L657	L528-T561 HydrophobicContact CD2-CG2 3.65Å; L534-T561 HydrophobicContact CD1-CG2 4.07Å; F537-T561 HydrophobicContact CD1-CG2 4.21Å; F537-T561 HydrophobicContact CE1-CG2 4.01Å; F537-T561 HydrophobicContact CZ-CG2 4.28Å; V559-T561 HydrophobicContact CG1-CG2 3.91Å; T561-M654 HydrophobicContact CG2-CG 3.53Å; T561-M654 HydrophobicContact CG2-SD 3.58Å; T561-M654 VanDerWaalsContact CG2-SD 3.58Å; T561-H655 PolarHBondContact N-O 2.91Å; T561-H655 PolarHBondContact OG1-O 3.31Å; T561-L657 WeakPolarHBondContact O-CB 3.47Å; T561-L657 PolarHBondContact O-N 3.38Å
562	F	97.5	Very high	95.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	151.6	171.4	50.2	-105.6	0	0	0	108.7	L534 F537 L540 F567 F589 H593 P660	L534-F562 WeakPolarHBondContact CD2-O 3.5Å; F537-F562 HydrophobicContact CB-CE2 4.27Å; F537-F562 AromaticContact CD2-CD1 3.71Å; F537-F562 HydrophobicContact CD2-CD1 3.71Å; F537-F562 HydrophobicContact CD2-CD2 4.16Å; F537-F562 AromaticContact CD2-CE1 3.41Å; F537-F562 HydrophobicContact CD2-CE1 3.41Å; F537-F562 VanDerWaalsContact CD2-CE1 3.41Å; F537-F562 AromaticContact CD2-CE2 3.87Å; F537-F562 HydrophobicContact CD2-CE2 3.87Å; F537-F562 HydrophobicContact CD2-CG 4.09Å; F537-F562 AromaticContact CD2-CZ 3.5Å; F537-F562 HydrophobicContact CD2-CZ 3.5Å; F537-F562 AromaticContact CE2-CD1 3.97Å; F537-F562 HydrophobicContact CE2-CD1 3.97Å; F537-F562 AromaticContact CE2-CE1 3.65Å; F537-F562 HydrophobicContact CE2-CE1 3.65Å; F537-F562 HydrophobicContact CE2-CZ 4.14Å; L540-F562 HydrophobicContact CD1-CE2 4.28Å; L540-F562 HydrophobicContact CD1-CZ 4Å; F562-F567 HydrophobicContact CD2-CB 3.85Å; F562-F567 HydrophobicContact CD2-CD2 4.28Å; F562-F567 HydrophobicContact CD2-CG 4.4Å; F562-F567 HydrophobicContact CE2-CB 3.75Å; F562-F567 AromaticContact CE2-CD2 3.47Å; F562-F567 HydrophobicContact CE2-CD2 3.47Å; F562-F567 VanDerWaalsContact CE2-CD2 3.47Å; F562-F567 HydrophobicContact CE2-CE2 4.32Å; F562-F567 AromaticContact CE2-CG 3.8Å; F562-F567 HydrophobicContact CE2-CG 3.8Å; F562-F567 AromaticContact CZ-CD2 3.87Å; F562-F567 HydrophobicContact CZ-CD2 3.87Å; F562-F567 HydrophobicContact CZ-CE2 4.37Å; F562-F589 HydrophobicContact CE1-CE1 4.26Å; F562-F589 HydrophobicContact CE1-CZ 4.2Å; F562-F589 HydrophobicContact CZ-CE1 4.03Å; F562-F589 HydrophobicContact CZ-CZ 4.19Å; F562-H593 AromaticContact CD1-CD2 3.77Å; F562-H593 AromaticContact CD1-NE2 3.57Å; F562-H593 AromaticContact CE1-CD2 3.77Å; F562-H593 AromaticContact CE1-CE1 3.91Å; F562-H593 AromaticContact CE1-NE2 3.43Å; F562-H593 WeakPolarHBondContact CE1-NE2 3.22Å; F562-P660 HydrophobicContact CB-CG 4.41Å; F562-P660 HydrophobicContact CD1-CB 3.81Å; F562-P660 HydrophobicContact CD1-CG 3.95Å; F562-P660 HydrophobicContact CD2-CG 3.88Å; F562-P660 HydrophobicContact CE1-CB 3.82Å; F562-P660 HydrophobicContact CE1-CG 4.11Å; F562-P660 HydrophobicContact CE2-CG 4.06Å; F562-P660 HydrophobicContact CG-CB 4.21Å; F562-P660 HydrophobicContact CG-CG 3.82Å; F562-P660 HydrophobicContact CZ-CB 4.23Å; F562-P660 HydrophobicContact CZ-CG 4.16Å
563	T	97.3	Very high	95.1	Very high	28 Å²	28	41.5 Å²	41.5	17%	0.172	24%	0.24	C	C	.	.			trans	-76.5	156.1	-178.6	65	0	0	0	0	111.6	S533 S565 S566 F567 M656	S533-T563 CarbonylContact O-C 3.53Å; S533-T563 WeakPolarHBondContact O-CA 3.38Å; T563-S565 VanDerWaalsContact C-N 3.26Å; T563-S565 PolarHBondContact O-N 3.16Å; T563-S565 PolarHBondContact OG1-OG 3.4Å; T563-S566 PolarHBondContact N-OG 2.95Å; T563-S566 VanDerWaalsContact N-OG 3.16Å; T563-S566 PolarHBondContact O-N 2.76Å; T563-S566 PolarHBondContact O-OG 2.91Å; T563-S566 WeakPolarHBondContact OG1-CB 3.2Å; T563-S566 PolarHBondContact OG1-N 2.8Å; T563-S566 PolarHBondContact OG1-OG 2.82Å; T563-F567 PolarHBondContact O-N 2.72Å; T563-M656 HydrophobicContact CG2-CG 4.43Å; T563-M656 HydrophobicContact CG2-SD 3.63Å
564	D	96.8	Very high	95	Very high	27 Å²	27	45.6 Å²	45.6	14%	0.144	25%	0.251	C	S	.	.	H	α-helix	trans	-52.8	-44.6	175	-64.7	-20.6	0	0	0	111.8	S533 T535 Q536 S566 F567 D568	S533-D564 VanDerWaalsContact O-CG 3.24Å; S533-D564 PolarHBondContact O-N 2.78Å; T535-D564 PolarHBondContact N-OD1 2.71Å; T535-D564 VanDerWaalsContact N-OD1 3.1Å; T535-D564 PolarHBondContact N-OD2 2.78Å; T535-D564 PolarHBondContact OG1-OD2 2.87Å; Q536-D564 VanDerWaalsContact CB-OD1 3.24Å; Q536-D564 WeakPolarHBondContact CB-OD1 3.4Å; Q536-D564 HydrophobicContact CG-CB 4.21Å; Q536-D564 WeakPolarHBondContact CG-OD1 3.44Å; Q536-D564 PolarHBondContact N-OD1 2.92Å; Q536-D564 PolarHBondContact NE2-O 3.46Å; D564-S566 PolarHBondContact O-N 2.98Å; D564-F567 PolarHBondContact O-N 3.42Å; D564-D568 VanDerWaalsContact O-CG 3.22Å; D564-D568 PolarHBondContact O-N 3.05Å
565	S	96	Very high	94.7	Very high	71 Å²	71	45.9 Å²	45.9	50%	0.497	24%	0.244	S	C	.	.	H	α-helix	trans	-60.3	-43.8	176.5	54.8	0	0	0	0	113	T563 F567 D568 E569	T563-S565 VanDerWaalsContact C-N 3.26Å; T563-S565 PolarHBondContact O-N 3.16Å; T563-S565 PolarHBondContact OG1-OG 3.4Å; S565-F567 VanDerWaalsContact C-N 3.28Å; S565-F567 PolarHBondContact O-N 2.84Å; S565-D568 PolarHBondContact O-N 2.67Å; S565-E569 WeakPolarHBondContact O-CG 3.42Å; S565-E569 PolarHBondContact O-N 3.43Å; S565-E569 VanDerWaalsContact O-N 3.11Å
566	S	95.3	Very high	94.5	Very high	5 Å²	5	47.2 Å²	47.2	4%	0.035	25%	0.25	C	C	.	.	H	α-helix	trans	-69.9	-27.5	-179.7	73.8	0	0	0	0	113	T563 D564 K658 P660	T563-S566 PolarHBondContact N-OG 2.95Å; T563-S566 VanDerWaalsContact N-OG 3.16Å; T563-S566 PolarHBondContact O-N 2.76Å; T563-S566 PolarHBondContact O-OG 2.91Å; T563-S566 WeakPolarHBondContact OG1-CB 3.2Å; T563-S566 PolarHBondContact OG1-N 2.8Å; T563-S566 PolarHBondContact OG1-OG 2.82Å; D564-S566 PolarHBondContact O-N 2.98Å; S566-K658 VanDerWaalsContact CB-O 3.22Å; S566-K658 WeakPolarHBondContact CB-O 3.42Å; S566-P660 WeakPolarHBondContact O-CD 3.28Å
567	F	95.1	Very high	94.2	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-73.5	-43	173.4	-176.2	-107.5	0	0	0	111.1	Q536 L540 F562 T563 D564 S565 E569 M570 F571 K576 L579 F589 P660	Q536-F567 HydrophobicContact CB-CD1 4.31Å; L540-F567 HydrophobicContact CD1-CD2 4.3Å; L540-F567 HydrophobicContact CD1-CE1 4.22Å; L540-F567 HydrophobicContact CD1-CE2 3.76Å; L540-F567 HydrophobicContact CD1-CZ 3.71Å; L540-F567 HydrophobicContact CD2-CZ 4.43Å; F562-F567 HydrophobicContact CD2-CB 3.85Å; F562-F567 HydrophobicContact CD2-CD2 4.28Å; F562-F567 HydrophobicContact CD2-CG 4.4Å; F562-F567 HydrophobicContact CE2-CB 3.75Å; F562-F567 AromaticContact CE2-CD2 3.47Å; F562-F567 HydrophobicContact CE2-CD2 3.47Å; F562-F567 VanDerWaalsContact CE2-CD2 3.47Å; F562-F567 HydrophobicContact CE2-CE2 4.32Å; F562-F567 AromaticContact CE2-CG 3.8Å; F562-F567 HydrophobicContact CE2-CG 3.8Å; F562-F567 AromaticContact CZ-CD2 3.87Å; F562-F567 HydrophobicContact CZ-CD2 3.87Å; F562-F567 HydrophobicContact CZ-CE2 4.37Å; T563-F567 PolarHBondContact O-N 2.72Å; D564-F567 PolarHBondContact O-N 3.42Å; S565-F567 VanDerWaalsContact C-N 3.28Å; S565-F567 PolarHBondContact O-N 2.84Å; F567-E569 VanDerWaalsContact C-N 3.3Å; F567-E569 PolarHBondContact O-N 2.96Å; F567-M570 PolarHBondContact O-N 3.38Å; F567-F571 HydrophobicContact CD2-CB 4.37Å; F567-F571 AromaticContact CD2-CD2 3.52Å; F567-F571 HydrophobicContact CD2-CD2 3.52Å; F567-F571 HydrophobicContact CD2-CE2 4.02Å; F567-F571 HydrophobicContact CD2-CG 4.04Å; F567-F571 HydrophobicContact CE1-CB 4.19Å; F567-F571 HydrophobicContact CE2-CB 3.98Å; F567-F571 HydrophobicContact CE2-CD1 4Å; F567-F571 AromaticContact CE2-CD2 3.35Å; F567-F571 HydrophobicContact CE2-CD2 3.35Å; F567-F571 HydrophobicContact CE2-CE1 4.35Å; F567-F571 AromaticContact CE2-CE2 3.77Å; F567-F571 HydrophobicContact CE2-CE2 3.77Å; F567-F571 AromaticContact CE2-CG 3.5Å; F567-F571 HydrophobicContact CE2-CG 3.5Å; F567-F571 HydrophobicContact CE2-CZ 4.25Å; F567-F571 HydrophobicContact CG-CD2 4.37Å; F567-F571 HydrophobicContact CZ-CB 3.88Å; F567-F571 HydrophobicContact CZ-CD1 4.18Å; F567-F571 HydrophobicContact CZ-CD2 4.13Å; F567-F571 AromaticContact CZ-CG 3.81Å; F567-F571 HydrophobicContact CZ-CG 3.81Å; F567-F571 WeakPolarHBondContact O-CB 3.28Å; F567-F571 PolarHBondContact O-N 2.58Å; F567-K576 HydrophobicContact CD1-CD 4.44Å; F567-K576 HydrophobicContact CE1-CD 3.74Å; F567-K576 VanDerWaalsContact CE1-CE 3.43Å; F567-K576 HydrophobicContact CE1-CG 3.77Å; F567-K576 HydrophobicContact CZ-CG 4.06Å; F567-L579 HydrophobicContact CE2-CD2 4.43Å; F567-L579 HydrophobicContact CZ-CD2 4.35Å; F567-F589 HydrophobicContact CE2-CE1 4.4Å; F567-F589 HydrophobicContact CE2-CZ 4.38Å; F567-P660 HydrophobicContact CB-CG 4.3Å; F567-P660 HydrophobicContact CD2-CG 3.76Å
568	D	94.1	Very high	94	Very high	81 Å²	81	51.5 Å²	51.5	43%	0.433	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-37.5	177	-67.3	-18.1	0	0	0	112.9	Q536 D564 S565 M570 K576	Q536-D568 PolarHBondContact NE2-OD1 2.85Å; Q536-D568 PolarHBondContact NE2-OD2 3.3Å; Q536-D568 PolarHBondContact OE1-OD1 3.42Å; D564-D568 VanDerWaalsContact O-CG 3.22Å; D564-D568 PolarHBondContact O-N 3.05Å; S565-D568 PolarHBondContact O-N 2.67Å; D568-M570 VanDerWaalsContact C-N 3.3Å; D568-M570 PolarHBondContact O-N 3.44Å; D568-K576 IonicContact OD1-NZ 2.58Å; D568-K576 PolarHBondContact OD1-NZ 2.7Å
569	E	92.6	Very high	93.7	Very high	168 Å²	168	51.8 Å²	51.8	79%	0.785	28%	0.278	S	S	*	.	H	α-helix	trans	-64.4	-33.4	176.8	-75.6	177.3	-170.9	0	0	113	S565 F567	S565-E569 WeakPolarHBondContact O-CG 3.42Å; S565-E569 PolarHBondContact O-N 3.43Å; S565-E569 VanDerWaalsContact O-N 3.11Å; F567-E569 VanDerWaalsContact C-N 3.3Å; F567-E569 PolarHBondContact O-N 2.96Å
570	M	90.4	Very high	93.4	Very high	41 Å²	41	56.2 Å²	56.2	20%	0.202	30%	0.301	C	S	.	.	H	α-helix	trans	-97.6	-33.1	-174.2	-173.8	172.3	178.8	0	0	113.1	F567 D568 K575 P660 E665	F567-M570 PolarHBondContact O-N 3.38Å; D568-M570 VanDerWaalsContact C-N 3.3Å; D568-M570 PolarHBondContact O-N 3.44Å; M570-K575 PolarHBondContact O-NZ 3.1Å; M570-P660 HydrophobicContact SD-CB 4.13Å; M570-P660 HydrophobicContact SD-CG 4.25Å; M570-E665 WeakPolarHBondContact CE-OE1 3.45Å
571	F	91.3	Very high	93.2	Very high	25 Å²	25	60.4 Å²	60.4	11%	0.11	34%	0.336	C	S	.	.			trans	-113.9	97.4	-177	-70.5	-101	0	0	0	110.4	F567 K575 K576 L579 F589 P660	F567-F571 HydrophobicContact CD2-CB 4.37Å; F567-F571 AromaticContact CD2-CD2 3.52Å; F567-F571 HydrophobicContact CD2-CD2 3.52Å; F567-F571 HydrophobicContact CD2-CE2 4.02Å; F567-F571 HydrophobicContact CD2-CG 4.04Å; F567-F571 HydrophobicContact CE1-CB 4.19Å; F567-F571 HydrophobicContact CE2-CB 3.98Å; F567-F571 HydrophobicContact CE2-CD1 4Å; F567-F571 AromaticContact CE2-CD2 3.35Å; F567-F571 HydrophobicContact CE2-CD2 3.35Å; F567-F571 HydrophobicContact CE2-CE1 4.35Å; F567-F571 AromaticContact CE2-CE2 3.77Å; F567-F571 HydrophobicContact CE2-CE2 3.77Å; F567-F571 AromaticContact CE2-CG 3.5Å; F567-F571 HydrophobicContact CE2-CG 3.5Å; F567-F571 HydrophobicContact CE2-CZ 4.25Å; F567-F571 HydrophobicContact CG-CD2 4.37Å; F567-F571 HydrophobicContact CZ-CB 3.88Å; F567-F571 HydrophobicContact CZ-CD1 4.18Å; F567-F571 HydrophobicContact CZ-CD2 4.13Å; F567-F571 AromaticContact CZ-CG 3.81Å; F567-F571 HydrophobicContact CZ-CG 3.81Å; F567-F571 WeakPolarHBondContact O-CB 3.28Å; F567-F571 PolarHBondContact O-N 2.58Å; F571-K575 HydrophobicContact CB-CB 4.39Å; F571-K575 HydrophobicContact CD1-CB 3.93Å; F571-K576 HydrophobicContact CB-CG 3.7Å; F571-K576 WeakPolarHBondContact O-CE 3.31Å; F571-L579 HydrophobicContact CD1-CD2 4.33Å; F571-L579 HydrophobicContact CE1-CD2 3.94Å; F571-F589 HydrophobicContact CE2-CE2 4.23Å; F571-F589 HydrophobicContact CE2-CZ 4.02Å; F571-F589 AromaticContact CZ-CE2 3.66Å; F571-F589 HydrophobicContact CZ-CE2 3.66Å; F571-F589 AromaticContact CZ-CZ 3.75Å; F571-F589 HydrophobicContact CZ-CZ 3.75Å; F571-P660 HydrophobicContact CD2-CG 4.33Å; F571-P660 HydrophobicContact CE2-CB 3.98Å; F571-P660 HydrophobicContact CE2-CG 4.03Å
572	D	90.1	Very high	93	Very high	81 Å²	81	63.9 Å²	63.9	43%	0.433	36%	0.355	S	S	.	.			trans	-62.5	168.3	166.9	63.2	50.2	0	0	0	111.8	K574 K575 K576	D572-K574 PolarHBondContact O-N 3.45Å; D572-K574 VanDerWaalsContact O-N 3.08Å; D572-K574 WeakPolarHBondContact OD1-CA 3.45Å; D572-K574 WeakPolarHBondContact OD1-CB 3.3Å; D572-K574 PolarHBondContact OD1-N 3.29Å; D572-K575 PolarHBondContact O-N 3.41Å; D572-K575 VanDerWaalsContact O-N 3.14Å; D572-K575 PolarHBondContact OD1-N 3.31Å; D572-K576 WeakPolarHBondContact O-CG 3.48Å; D572-K576 PolarHBondContact O-N 2.79Å
573	S	89.8	Confident	92.8	Very high	108 Å²	108	70.2 Å²	70.2	76%	0.755	38%	0.382	S	S	*	.	H	α-helix	trans	-53.9	-33.2	-177.8	-52.5	0	0	0	0	113.6	A577	S573-A577 WeakPolarHBondContact O-CB 3.41Å; S573-A577 PolarHBondContact O-N 3.26Å; S573-A577 VanDerWaalsContact O-N 3.13Å
574	K	91.7	Very high	92.6	Very high	152 Å²	152	77.1 Å²	77.1	66%	0.661	41%	0.41	S	S	*	.	H	α-helix	trans	-73	-49.8	179.2	-175.5	-176.4	177.2	-176.5	0	110.6	D572 K576 A577 D578	D572-K574 PolarHBondContact O-N 3.45Å; D572-K574 VanDerWaalsContact O-N 3.08Å; D572-K574 WeakPolarHBondContact OD1-CA 3.45Å; D572-K574 WeakPolarHBondContact OD1-CB 3.3Å; D572-K574 PolarHBondContact OD1-N 3.29Å; K574-K576 VanDerWaalsContact C-N 3.26Å; K574-K576 PolarHBondContact O-N 2.74Å; K574-A577 PolarHBondContact O-N 3Å; K574-A577 VanDerWaalsContact O-N 3.16Å; K574-D578 VanDerWaalsContact O-CG 3.26Å; K574-D578 PolarHBondContact O-N 2.61Å
575	K	90.3	Very high	92.4	Very high	106 Å²	106	81 Å²	81	46%	0.461	43%	0.425	S	S	.	.	H	α-helix	trans	-59.7	-36.9	177.1	-69.7	177.3	-174.9	172.2	0	112.2	M570 F571 D572 L579	M570-K575 PolarHBondContact O-NZ 3.1Å; F571-K575 HydrophobicContact CB-CB 4.39Å; F571-K575 HydrophobicContact CD1-CB 3.93Å; D572-K575 PolarHBondContact O-N 3.41Å; D572-K575 VanDerWaalsContact O-N 3.14Å; D572-K575 PolarHBondContact OD1-N 3.31Å; K575-L579 VanDerWaalsContact O-CB 3.31Å; K575-L579 WeakPolarHBondContact O-CB 3.3Å; K575-L579 PolarHBondContact O-N 3.21Å
576	K	91	Very high	92.3	Very high	46 Å²	46	77.8 Å²	77.8	20%	0.2	40%	0.403	C	S	.	.	H	α-helix	trans	-63.8	-48.3	174.1	-69.3	-172.3	-173.3	-165.6	0	111.9	F567 D568 F571 D572 K574 D578 L579 L580	F567-K576 HydrophobicContact CD1-CD 4.44Å; F567-K576 HydrophobicContact CE1-CD 3.74Å; F567-K576 VanDerWaalsContact CE1-CE 3.43Å; F567-K576 HydrophobicContact CE1-CG 3.77Å; F567-K576 HydrophobicContact CZ-CG 4.06Å; D568-K576 IonicContact OD1-NZ 2.58Å; D568-K576 PolarHBondContact OD1-NZ 2.7Å; F571-K576 HydrophobicContact CB-CG 3.7Å; F571-K576 WeakPolarHBondContact O-CE 3.31Å; D572-K576 WeakPolarHBondContact O-CG 3.48Å; D572-K576 PolarHBondContact O-N 2.79Å; K574-K576 VanDerWaalsContact C-N 3.26Å; K574-K576 PolarHBondContact O-N 2.74Å; K576-D578 VanDerWaalsContact C-N 3.33Å; K576-D578 PolarHBondContact O-N 2.89Å; K576-L579 PolarHBondContact O-N 3.11Å; K576-L580 WeakPolarHBondContact O-CB 3.43Å; K576-L580 WeakPolarHBondContact O-CG 3.44Å; K576-L580 PolarHBondContact O-N 3.39Å
577	A	90.8	Very high	92.4	Very high	57 Å²	57	82 Å²	82	47%	0.471	42%	0.422	S	S	.	.	H	α-helix	trans	-60.7	-43.7	177.3	0	0	0	0	0	111.4	S573 K574 L579 L580 A581	S573-A577 WeakPolarHBondContact O-CB 3.41Å; S573-A577 PolarHBondContact O-N 3.26Å; S573-A577 VanDerWaalsContact O-N 3.13Å; K574-A577 PolarHBondContact O-N 3Å; K574-A577 VanDerWaalsContact O-N 3.16Å; A577-L579 VanDerWaalsContact C-N 3.33Å; A577-L579 PolarHBondContact O-N 3.34Å; A577-L580 PolarHBondContact O-N 2.91Å; A577-A581 VanDerWaalsContact O-CB 3.3Å; A577-A581 WeakPolarHBondContact O-CB 3.17Å; A577-A581 PolarHBondContact O-N 3.12Å
578	D	92	Very high	92.3	Very high	82 Å²	82	83.7 Å²	83.7	44%	0.439	43%	0.434	S	S	.	.	H	α-helix	trans	-63.3	-37.8	177.2	-68	-16.9	0	0	0	112.2	K574 K576	K574-D578 VanDerWaalsContact O-CG 3.26Å; K574-D578 PolarHBondContact O-N 2.61Å; K576-D578 VanDerWaalsContact C-N 3.33Å; K576-D578 PolarHBondContact O-N 2.89Å
579	L	91.6	Very high	92.4	Very high	5 Å²	5	81 Å²	81	3%	0.026	42%	0.418	C	S	.	.	H	α-helix	trans	-68.7	-42.4	176.4	-178.4	63.9	0	0	0	111.6	L540 F567 F571 K575 K576 A577 K585 L586 F589	L540-L579 HydrophobicContact CD2-CD2 4.33Å; F567-L579 HydrophobicContact CE2-CD2 4.43Å; F567-L579 HydrophobicContact CZ-CD2 4.35Å; F571-L579 HydrophobicContact CD1-CD2 4.33Å; F571-L579 HydrophobicContact CE1-CD2 3.94Å; K575-L579 VanDerWaalsContact O-CB 3.31Å; K575-L579 WeakPolarHBondContact O-CB 3.3Å; K575-L579 PolarHBondContact O-N 3.21Å; K576-L579 PolarHBondContact O-N 3.11Å; A577-L579 VanDerWaalsContact C-N 3.33Å; A577-L579 PolarHBondContact O-N 3.34Å; L579-K585 HydrophobicContact CD1-CD 4.5Å; L579-K585 HydrophobicContact CD1-CG 4.17Å; L579-L586 HydrophobicContact CD1-CD1 4.4Å; L579-L586 HydrophobicContact CD2-CD1 4.27Å; L579-L586 HydrophobicContact CG-CD1 4.03Å; L579-F589 HydrophobicContact CD1-CB 3.98Å; L579-F589 HydrophobicContact CD1-CD1 4.35Å; L579-F589 HydrophobicContact CD1-CG 4.13Å; L579-F589 HydrophobicContact CD2-CD1 3.84Å; L579-F589 HydrophobicContact CD2-CE1 3.95Å; L579-F589 HydrophobicContact CD2-CG 4.31Å
580	L	92.2	Very high	92.6	Very high	93 Å²	93	73 Å²	73	49%	0.487	38%	0.381	S	S	.	.	H	α-helix	trans	-74.4	-27.2	-179.4	-71.1	171.8	0	0	0	113.2	L540 A543 K576 A577 D582 L586	L540-L580 HydrophobicContact CD2-CD2 3.87Å; A543-L580 HydrophobicContact CB-CD2 4.27Å; K576-L580 WeakPolarHBondContact O-CB 3.43Å; K576-L580 WeakPolarHBondContact O-CG 3.44Å; K576-L580 PolarHBondContact O-N 3.39Å; A577-L580 PolarHBondContact O-N 2.91Å; L580-D582 VanDerWaalsContact C-N 3.32Å; L580-L586 HydrophobicContact CD2-CD2 4.15Å
581	A	92.8	Very high	92.9	Very high	88 Å²	88	71.1 Å²	71.1	73%	0.727	37%	0.372	S	S	*	.	H	α-helix	trans	-69.7	-28.1	178.8	0	0	0	0	0	113.2	A577	A577-A581 VanDerWaalsContact O-CB 3.3Å; A577-A581 WeakPolarHBondContact O-CB 3.17Å; A577-A581 PolarHBondContact O-N 3.12Å
582	D	93.7	Very high	93.2	Very high	74 Å²	74	70.1 Å²	70.1	40%	0.396	37%	0.368	S	S	.	.			trans	-109.5	98.6	179.6	-176	-15.6	0	0	0	111.1	L580 K584 K585 L586	L580-D582 VanDerWaalsContact C-N 3.32Å; D582-K584 VanDerWaalsContact C-N 3.25Å; D582-K584 PolarHBondContact O-N 3.27Å; D582-K584 WeakPolarHBondContact OD1-CB 3.34Å; D582-K584 PolarHBondContact OD1-N 3.38Å; D582-K585 HydrophobicContact CB-CB 3.75Å; D582-K585 VanDerWaalsContact CG-CB 3.47Å; D582-K585 PolarHBondContact O-N 3.28Å; D582-K585 PolarHBondContact OD1-N 2.98Å; D582-L586 WeakPolarHBondContact O-CB 3.24Å; D582-L586 PolarHBondContact O-N 3.41Å
583	K	93.4	Very high	93.5	Very high	133 Å²	133	66.3 Å²	66.3	58%	0.578	35%	0.348	S	S	*	.	H	α-helix	trans	-57.5	-34.9	179.1	-172.1	173.5	-176.5	175.3	0	113.2	Q587	K583-Q587 VanDerWaalsContact O-CB 3.32Å; K583-Q587 WeakPolarHBondContact O-CB 3.34Å; K583-Q587 PolarHBondContact O-N 3.43Å
584	K	93.7	Very high	93.9	Very high	172 Å²	172	61.2 Å²	61.2	75%	0.748	31%	0.312	S	S	*	.	H	α-helix	trans	-71.1	-43.5	179.3	-70.3	-176.8	178.3	179.6	0	110.5	D582 L586 Q587 S588	D582-K584 VanDerWaalsContact C-N 3.25Å; D582-K584 PolarHBondContact O-N 3.27Å; D582-K584 WeakPolarHBondContact OD1-CB 3.34Å; D582-K584 PolarHBondContact OD1-N 3.38Å; K584-L586 VanDerWaalsContact C-N 3.33Å; K584-Q587 PolarHBondContact O-N 3.21Å; K584-S588 WeakPolarHBondContact O-CB 3.36Å; K584-S588 PolarHBondContact O-N 2.94Å
585	K	92.5	Very high	94.2	Very high	109 Å²	109	54 Å²	54	47%	0.474	28%	0.281	S	S	.	.	H	α-helix	trans	-61.6	-42.4	174.9	-171.4	179.6	-178.6	179.9	0	111.5	L579 D582 S588 F589	L579-K585 HydrophobicContact CD1-CD 4.5Å; L579-K585 HydrophobicContact CD1-CG 4.17Å; D582-K585 HydrophobicContact CB-CB 3.75Å; D582-K585 VanDerWaalsContact CG-CB 3.47Å; D582-K585 PolarHBondContact O-N 3.28Å; D582-K585 PolarHBondContact OD1-N 2.98Å; K585-S588 PolarHBondContact O-N 3.35Å; K585-F589 VanDerWaalsContact O-CB 3.27Å; K585-F589 WeakPolarHBondContact O-CB 3.46Å; K585-F589 PolarHBondContact O-N 3.46Å
586	L	95	Very high	94.4	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-45.5	175.8	179.4	60.7	0	0	0	112.3	L540 A543 A544 L579 L580 D582 K584 S588 F589 I590	L540-L586 HydrophobicContact CB-CD1 4.26Å; L540-L586 HydrophobicContact CD2-CD1 3.72Å; A543-L586 HydrophobicContact CB-CD2 3.63Å; A544-L586 HydrophobicContact CB-CD2 4.38Å; A544-L586 HydrophobicContact CB-CG 4Å; L579-L586 HydrophobicContact CD1-CD1 4.4Å; L579-L586 HydrophobicContact CD2-CD1 4.27Å; L579-L586 HydrophobicContact CG-CD1 4.03Å; L580-L586 HydrophobicContact CD2-CD2 4.15Å; D582-L586 WeakPolarHBondContact O-CB 3.24Å; D582-L586 PolarHBondContact O-N 3.41Å; K584-L586 VanDerWaalsContact C-N 3.33Å; L586-S588 VanDerWaalsContact C-N 3.35Å; L586-S588 PolarHBondContact O-N 2.82Å; L586-F589 PolarHBondContact O-N 2.84Å; L586-I590 HydrophobicContact CD1-CG1 4.2Å; L586-I590 PolarHBondContact O-N 3.35Å
587	Q	95.7	Very high	94.6	Very high	95 Å²	95	55.4 Å²	55.4	44%	0.444	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-42.1	177.4	-173.4	178.9	-2.9	0	0	111.7	K583 K584 G591	K583-Q587 VanDerWaalsContact O-CB 3.32Å; K583-Q587 WeakPolarHBondContact O-CB 3.34Å; K583-Q587 PolarHBondContact O-N 3.43Å; K584-Q587 PolarHBondContact O-N 3.21Å; Q587-G591 WeakPolarHBondContact O-CA 3.33Å; Q587-G591 PolarHBondContact O-N 2.78Å
588	S	94.9	Very high	94.8	Very high	39 Å²	39	54.5 Å²	54.5	27%	0.273	28%	0.281	S	S	.	.	H	α-helix	trans	-66.7	-42.5	174.7	172.4	0	0	0	0	111.7	K584 K585 L586 I590 G591 N592 D621	K584-S588 WeakPolarHBondContact O-CB 3.36Å; K584-S588 PolarHBondContact O-N 2.94Å; K585-S588 PolarHBondContact O-N 3.35Å; L586-S588 VanDerWaalsContact C-N 3.35Å; L586-S588 PolarHBondContact O-N 2.82Å; S588-I590 PolarHBondContact O-N 3.27Å; S588-G591 PolarHBondContact O-N 3.36Å; S588-N592 WeakPolarHBondContact O-CB 3.36Å; S588-N592 PolarHBondContact O-N 3Å; S588-N592 PolarHBondContact O-ND2 3.47Å; S588-N592 PolarHBondContact OG-ND2 3.24Å; S588-D621 VanDerWaalsContact CA-OD1 3.23Å; S588-D621 WeakPolarHBondContact CA-OD1 3.44Å; S588-D621 VanDerWaalsContact CB-OD1 3.26Å; S588-D621 WeakPolarHBondContact CB-OD1 2.99Å; S588-D621 PolarHBondContact OG-OD1 2.9Å; S588-D621 PolarHBondContact OG-OD2 3.2Å
589	F	95.4	Very high	94.9	Very high	23 Å²	23	52.5 Å²	52.5	10%	0.101	27%	0.268	C	S	.	.	H	α-helix	trans	-58.1	-51	177.4	174.8	-104.4	0	0	0	112.3	L540 F562 F567 F571 L579 K585 L586 N592 H593 P660 Y661	L540-F589 HydrophobicContact CD1-CE1 4.34Å; F562-F589 HydrophobicContact CE1-CE1 4.26Å; F562-F589 HydrophobicContact CE1-CZ 4.2Å; F562-F589 HydrophobicContact CZ-CE1 4.03Å; F562-F589 HydrophobicContact CZ-CZ 4.19Å; F567-F589 HydrophobicContact CE2-CE1 4.4Å; F567-F589 HydrophobicContact CE2-CZ 4.38Å; F571-F589 HydrophobicContact CE2-CE2 4.23Å; F571-F589 HydrophobicContact CE2-CZ 4.02Å; F571-F589 AromaticContact CZ-CE2 3.66Å; F571-F589 HydrophobicContact CZ-CE2 3.66Å; F571-F589 AromaticContact CZ-CZ 3.75Å; F571-F589 HydrophobicContact CZ-CZ 3.75Å; L579-F589 HydrophobicContact CD1-CB 3.98Å; L579-F589 HydrophobicContact CD1-CD1 4.35Å; L579-F589 HydrophobicContact CD1-CG 4.13Å; L579-F589 HydrophobicContact CD2-CD1 3.84Å; L579-F589 HydrophobicContact CD2-CE1 3.95Å; L579-F589 HydrophobicContact CD2-CG 4.31Å; K585-F589 VanDerWaalsContact O-CB 3.27Å; K585-F589 WeakPolarHBondContact O-CB 3.46Å; K585-F589 PolarHBondContact O-N 3.46Å; L586-F589 PolarHBondContact O-N 2.84Å; F589-N592 PolarHBondContact O-N 2.81Å; F589-H593 AromaticContact CE2-CE1 3.71Å; F589-H593 AromaticContact CZ-CE1 3.73Å; F589-H593 PolarHBondContact O-ND1 2.94Å; F589-P660 HydrophobicContact CE2-CB 4.37Å; F589-P660 HydrophobicContact CZ-CB 3.9Å; F589-Y661 WeakPolarHBondContact CE2-O 3.45Å
590	I	97	Very high	94.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-72.1	-36.8	177.4	-61	-61.2	0	0	0	111.5	F537 L540 V541 A544 L546 L586 S588 N592 H593 I594	F537-I590 HydrophobicContact CE2-CD1 4.46Å; L540-I590 HydrophobicContact CB-CD1 3.69Å; L540-I590 HydrophobicContact CB-CG1 4.14Å; L540-I590 HydrophobicContact CD1-CD1 4.37Å; V541-I590 HydrophobicContact CG2-CG2 3.8Å; A544-I590 HydrophobicContact CB-CB 4.34Å; A544-I590 HydrophobicContact CB-CG1 4.27Å; L546-I590 HydrophobicContact CD1-CB 3.82Å; L546-I590 HydrophobicContact CD1-CG2 3.51Å; L586-I590 HydrophobicContact CD1-CG1 4.2Å; L586-I590 PolarHBondContact O-N 3.35Å; S588-I590 PolarHBondContact O-N 3.27Å; I590-N592 PolarHBondContact O-N 3.22Å; I590-H593 WeakPolarHBondContact O-CB 3.43Å; I590-H593 PolarHBondContact O-N 2.79Å; I590-I594 HydrophobicContact CG2-CD1 4.2Å
591	G	96.8	Very high	94.8	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-58.5	-34.6	175	0	0	0	0	0	113	Q587 S588 H593 I594 L620 D621	Q587-G591 WeakPolarHBondContact O-CA 3.33Å; Q587-G591 PolarHBondContact O-N 2.78Å; S588-G591 PolarHBondContact O-N 3.36Å; G591-H593 PolarHBondContact O-N 2.92Å; G591-I594 PolarHBondContact O-N 2.9Å; G591-L620 WeakPolarHBondContact O-CB 3.46Å; G591-L620 PolarHBondContact O-N 3.02Å; G591-D621 PolarHBondContact O-N 3.16Å
592	N	96.3	Very high	94.5	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.027	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-13.7	174.6	-82	-63.4	0	0	0	114.1	S588 F589 I590 T619 D621 R623 F636 Y661	S588-N592 WeakPolarHBondContact O-CB 3.36Å; S588-N592 PolarHBondContact O-N 3Å; S588-N592 PolarHBondContact O-ND2 3.47Å; S588-N592 PolarHBondContact OG-ND2 3.24Å; F589-N592 PolarHBondContact O-N 2.81Å; I590-N592 PolarHBondContact O-N 3.22Å; N592-T619 WeakPolarHBondContact O-CG2 3.39Å; N592-T619 PolarHBondContact OD1-OG1 3.32Å; N592-D621 PolarHBondContact ND2-OD2 3.46Å; N592-R623 VanDerWaalsContact OD1-CB 3.29Å; N592-R623 WeakPolarHBondContact OD1-CB 3.45Å; N592-F636 WeakPolarHBondContact O-CE1 3.21Å; N592-F636 WeakPolarHBondContact O-CZ 3.46Å; N592-Y661 HydrophobicContact CB-CD1 4.05Å; N592-Y661 HydrophobicContact CB-CE1 4.04Å
593	H	97.4	Very high	94.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-0.9	173.5	-72.4	79.4	0	0	0	113	F537 M560 F562 F589 I590 G591 Y661	F537-H593 HydrophobicContact CE2-CB 4.36Å; M560-H593 WeakPolarHBondContact CA-O 3.43Å; M560-H593 HydrophobicContact CB-CB 4.43Å; M560-H593 VanDerWaalsContact CB-O 3.27Å; M560-H593 WeakPolarHBondContact CB-O 3.47Å; M560-H593 PolarHBondContact N-O 2.8Å; M560-H593 WeakPolarHBondContact O-CB 3.27Å; M560-H593 PolarHBondContact O-CD2 2.97Å; F562-H593 AromaticContact CD1-CD2 3.77Å; F562-H593 AromaticContact CD1-NE2 3.57Å; F562-H593 AromaticContact CE1-CD2 3.77Å; F562-H593 AromaticContact CE1-CE1 3.91Å; F562-H593 AromaticContact CE1-NE2 3.43Å; F562-H593 WeakPolarHBondContact CE1-NE2 3.22Å; F589-H593 AromaticContact CE2-CE1 3.71Å; F589-H593 AromaticContact CZ-CE1 3.73Å; F589-H593 PolarHBondContact O-ND1 2.94Å; I590-H593 WeakPolarHBondContact O-CB 3.43Å; I590-H593 PolarHBondContact O-N 2.79Å; G591-H593 PolarHBondContact O-N 2.92Å; H593-Y661 PolarHBondContact CE1-O 3.34Å; H593-Y661 PolarHBondContact NE2-N 3.21Å
594	I	97.9	Very high	93.9	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	117.2	-175.5	-58.3	170	0	0	0	108.8	L546 L550 F555 T558 V559 I590 G591 T619 L620	L546-I594 HydrophobicContact CD1-CD1 4.38Å; L550-I594 HydrophobicContact CD1-CD1 4.16Å; L550-I594 HydrophobicContact CD2-CD1 4.32Å; F555-I594 HydrophobicContact CE1-CG2 4.23Å; F555-I594 HydrophobicContact CZ-CG2 3.7Å; T558-I594 CarbonylContact O-C 3.5Å; T558-I594 VanDerWaalsContact O-CA 3.31Å; T558-I594 WeakPolarHBondContact O-CA 3.35Å; V559-I594 HydrophobicContact CG2-CG1 4.36Å; V559-I594 HydrophobicContact CG2-CG2 4.49Å; I590-I594 HydrophobicContact CG2-CD1 4.2Å; G591-I594 PolarHBondContact O-N 2.9Å; I594-T619 CarbonylContact O-C 3.52Å; I594-T619 WeakPolarHBondContact O-CA 3.43Å; I594-L620 HydrophobicContact CB-CB 4Å; I594-L620 HydrophobicContact CB-CD2 4.4Å; I594-L620 HydrophobicContact CD1-CD2 4.07Å; I594-L620 HydrophobicContact CG2-CB 4.18Å; I594-L620 HydrophobicContact CG2-CD2 4.33Å; I594-L620 PolarHBondContact O-N 2.92Å
595	L	97.3	Very high	93.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	148.8	171.1	-56.8	178.1	0	0	0	110.9	G557 T558 M560 K597 Y599 Y617 T619 I627 F636	G557-L595 CarbonylContact C-O 3.36Å; G557-L595 WeakPolarHBondContact CA-O 3.45Å; T558-L595 HydrophobicContact CG2-CD1 4.48Å; T558-L595 PolarHBondContact N-O 3.14Å; T558-L595 PolarHBondContact O-N 2.87Å; M560-L595 HydrophobicContact CE-CD1 3.83Å; M560-L595 HydrophobicContact CE-CG 4.46Å; L595-K597 VanDerWaalsContact C-N 3.25Å; L595-K597 PolarHBondContact O-N 3.23Å; L595-Y599 HydrophobicContact CB-CD2 4.43Å; L595-Y599 HydrophobicContact CB-CE2 4.41Å; L595-Y599 HydrophobicContact CD1-CD2 3.77Å; L595-Y599 HydrophobicContact CD1-CE2 4.15Å; L595-Y617 HydrophobicContact CD1-CG 4.47Å; L595-T619 HydrophobicContact CD2-CG2 4.04Å; L595-I627 HydrophobicContact CD1-CD1 3.91Å; L595-F636 HydrophobicContact CD1-CE2 4.25Å; L595-F636 HydrophobicContact CD2-CE2 3.77Å; L595-F636 HydrophobicContact CD2-CZ 4.13Å; L595-F636 HydrophobicContact CG-CE2 4.1Å
596	T	95.8	Very high	91.9	Very high	60 Å²	60	31 Å²	31	37%	0.368	16%	0.161	S	C	.	.	S	Bend	trans	-79.2	-0.5	-176.7	59.3	0	0	0	0	115	P618	T596-P618 PolarHBondContact N-O 3.46Å; T596-P618 WeakPolarHBondContact OG1-CG 3.46Å; T596-P618 PolarHBondContact OG1-O 3.44Å
597	K	95.3	Very high	90.2	Very high	123 Å²	123	34.9 Å²	34.9	54%	0.535	18%	0.182	S	C	.	.	S	Bend	trans	-135.7	152.7	175.6	-68.5	-172.5	-175.7	177.4	0	110.5	G557 T558 L595 Y599	G557-K597 CarbonylContact C-O 3.57Å; T558-K597 PolarHBondContact N-O 2.81Å; T558-K597 VanDerWaalsContact N-O 3.16Å; T558-K597 PolarHBondContact OG1-O 2.75Å; L595-K597 VanDerWaalsContact C-N 3.25Å; L595-K597 PolarHBondContact O-N 3.23Å; K597-Y599 HydrophobicContact CB-CD2 4.32Å; K597-Y599 HydrophobicContact CB-CE1 4.34Å; K597-Y599 HydrophobicContact CB-CE2 3.59Å; K597-Y599 VanDerWaalsContact O-CD2 3.28Å; K597-Y599 WeakPolarHBondContact O-CD2 3.39Å
598	P	94.3	Very high	88.4	Confident	37 Å²	37	35.8 Å²	35.8	24%	0.24	20%	0.196	C	C	.	.			trans	-82	118.5	176.8	31.7	-29.7	0	0	0	109.5	S556 G557 T558 N651 V653	S556-P598 VanDerWaalsContact OG-CD 3.28Å; S556-P598 WeakPolarHBondContact OG-CD 3.35Å; S556-P598 WeakPolarHBondContact OG-CG 3.42Å; G557-P598 WeakPolarHBondContact O-CA 3.32Å; T558-P598 WeakPolarHBondContact OG1-CA 3.44Å; P598-N651 VanDerWaalsContact CB-O 3.31Å; P598-N651 WeakPolarHBondContact CB-O 3.47Å; P598-N651 WeakPolarHBondContact CG-O 3.44Å; P598-V653 HydrophobicContact CB-CG2 4.33Å
599	Y	93.6	Very high	86.4	Confident	40 Å²	40	40.2 Å²	40.2	16%	0.157	21%	0.211	C	C	.	.			trans	-120.4	121.4	177.6	-61.9	-73.8	0	0	0	108.6	T558 L595 K597 E603 L604 Y617 H655	T558-Y599 PolarHBondContact OG1-N 2.74Å; L595-Y599 HydrophobicContact CB-CD2 4.43Å; L595-Y599 HydrophobicContact CB-CE2 4.41Å; L595-Y599 HydrophobicContact CD1-CD2 3.77Å; L595-Y599 HydrophobicContact CD1-CE2 4.15Å; K597-Y599 HydrophobicContact CB-CD2 4.32Å; K597-Y599 HydrophobicContact CB-CE1 4.34Å; K597-Y599 HydrophobicContact CB-CE2 3.59Å; K597-Y599 VanDerWaalsContact O-CD2 3.28Å; K597-Y599 WeakPolarHBondContact O-CD2 3.39Å; Y599-E603 WeakPolarHBondContact CA-OE2 3.46Å; Y599-E603 HydrophobicContact CD1-CB 4.2Å; Y599-L604 VanDerWaalsContact CB-CD2 3.47Å; Y599-L604 HydrophobicContact CD1-CD2 4.31Å; Y599-L604 HydrophobicContact CD2-CD2 4.02Å; Y599-L604 HydrophobicContact CG-CD2 3.69Å; Y599-Y617 HydrophobicContact CD1-CE1 4.25Å; Y599-Y617 HydrophobicContact CD2-CD1 4.1Å; Y599-Y617 HydrophobicContact CD2-CE1 4.44Å; Y599-Y617 HydrophobicContact CE1-CD1 4.12Å; Y599-Y617 AromaticContact CE1-CE1 3.91Å; Y599-Y617 HydrophobicContact CE1-CE1 3.91Å; Y599-Y617 AromaticContact CE2-CD1 3.53Å; Y599-Y617 HydrophobicContact CE2-CD1 3.53Å; Y599-Y617 HydrophobicContact CE2-CE1 4.11Å; Y599-Y617 HydrophobicContact CG-CE1 4.49Å; Y599-Y617 AromaticContact CZ-CD1 3.54Å; Y599-Y617 AromaticContact CZ-CE1 3.82Å; Y599-H655 PolarHBondContact O-CE1 2.9Å; Y599-H655 PolarHBondContact O-NE2 3.4Å
600	C	92.5	Very high	84.5	Confident	17 Å²	17	41 Å²	41	12%	0.115	22%	0.216	C	C	.	.			trans	-68.7	156	161	-61.3	0	0	0	0	108.9	C495 H602 E603	C495-C600 WeakPolarHBondContact CA-SG 3.48Å; C495-C600 HydrophobicContact CB-CB 3.67Å; C495-C600 WeakPolarHBondContact CB-SG 3.49Å; C495-C600 WeakPolarHBondContact SG-CB 3.31Å; C495-C600 CovalentContact SG-SG 2.04Å; C495-C600 PolarHBondContact SG-SG 3.3Å; C600-H602 PolarHBondContact O-N 3.19Å; C600-E603 PolarHBondContact N-OE2 2.73Å; C600-E603 WeakPolarHBondContact O-CB 3.48Å; C600-E603 PolarHBondContact O-N 3.07Å
601	C	90.4	Very high	82.4	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.007	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-54	-34.3	-177.8	-176.9	0	0	0	0	113.4	E603 L604 L634 C644 D645	C601-E603 VanDerWaalsContact C-N 3.31Å; C601-E603 PolarHBondContact O-N 3.4Å; C601-L604 PolarHBondContact O-N 2.81Å; C601-L634 HydrophobicContact CB-CD1 4.45Å; C601-L634 WeakPolarHBondContact O-CD1 3.45Å; C601-L634 WeakPolarHBondContact SG-CD1 3.2Å; C601-C644 HydrophobicContact CB-CB 3.36Å; C601-C644 WeakPolarHBondContact CB-SG 3.32Å; C601-C644 WeakPolarHBondContact SG-CB 3.28Å; C601-C644 CovalentContact SG-SG 2.04Å; C601-C644 PolarHBondContact SG-SG 3.17Å; C601-D645 WeakPolarHBondContact CB-OD1 3.26Å; C601-D645 WeakPolarHBondContact CB-OD2 3.23Å; C601-D645 PolarHBondContact N-OD1 2.7Å
602	H	86.3	Confident	80.6	Confident	51 Å²	51	55.4 Å²	55.4	24%	0.236	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-62.5	-32.5	174.4	138.6	58	0	0	0	113.9	S474 R492 C600 L604 T605	S474-H602 PolarHBondContact OG-NE2 2.99Å; R492-H602 PolarHBondContact NH1-CD2 3.38Å; R492-H602 PolarHBondContact NH1-NE2 3.1Å; C600-H602 PolarHBondContact O-N 3.19Å; H602-L604 VanDerWaalsContact C-N 3.25Å; H602-T605 PolarHBondContact O-OG1 3.32Å
603	E	87.4	Confident	78.5	Confident	84 Å²	84	57 Å²	57	39%	0.393	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-81.2	-12.4	-178	-61	172.5	128.2	0	0	111.8	Y599 C600 C601 Y617	Y599-E603 WeakPolarHBondContact CA-OE2 3.46Å; Y599-E603 HydrophobicContact CD1-CB 4.2Å; C600-E603 PolarHBondContact N-OE2 2.73Å; C600-E603 WeakPolarHBondContact O-CB 3.48Å; C600-E603 PolarHBondContact O-N 3.07Å; C601-E603 VanDerWaalsContact C-N 3.31Å; C601-E603 PolarHBondContact O-N 3.4Å; E603-Y617 PolarHBondContact O-OH 3.38Å
604	L	87.4	Confident	76.8	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-89.7	-9.2	176	-63.2	-179.1	0	0	0	113.2	M560 Y599 C601 H602 Y617 I627 L634 I641	M560-L604 HydrophobicContact CE-CD1 4.03Å; Y599-L604 VanDerWaalsContact CB-CD2 3.47Å; Y599-L604 HydrophobicContact CD1-CD2 4.31Å; Y599-L604 HydrophobicContact CD2-CD2 4.02Å; Y599-L604 HydrophobicContact CG-CD2 3.69Å; C601-L604 PolarHBondContact O-N 2.81Å; H602-L604 VanDerWaalsContact C-N 3.25Å; L604-Y617 HydrophobicContact CD2-CD1 4.17Å; L604-Y617 HydrophobicContact CD2-CE1 3.72Å; L604-Y617 HydrophobicContact CD2-CE2 4.35Å; L604-I627 HydrophobicContact CB-CG2 4.14Å; L604-I627 HydrophobicContact CD1-CD1 4.39Å; L604-I627 HydrophobicContact CD2-CD1 3.82Å; L604-L634 HydrophobicContact CB-CD1 3.86Å; L604-L634 HydrophobicContact CB-CD2 4.47Å; L604-I641 HydrophobicContact CD1-CD1 4.37Å
605	T	77.3	Confident	76	Confident	41 Å²	41	65.7 Å²	65.7	25%	0.252	34%	0.343	S	S	.	.	S	Bend	trans	-71.7	137.8	178.2	62.8	0	0	0	0	110.6	H602 E631 L634	H602-T605 PolarHBondContact O-OG1 3.32Å; T605-E631 HydrophobicContact CG2-CB 3.98Å; T605-L634 HydrophobicContact CG2-CD2 4.23Å
606	S	65.7	Low	75.5	Confident	29 Å²	29	69.6 Å²	69.6	20%	0.203	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-65.5	139.4	173.5	-49.8	0	0	0	0	110.4	G629	S606-G629 PolarHBondContact N-O 2.91Å
607	D	60.3	Low	75.3	Confident	84 Å²	84	67.4 Å²	67.4	45%	0.449	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-60.3	129	168.2	-173.1	-30.9	0	0	0	107.7	F609 D610	D607-F609 PolarHBondContact O-N 3.13Å; D607-F609 PolarHBondContact OD1-N 3.16Å; D607-D610 HydrophobicContact CB-CB 3.94Å; D607-D610 PolarHBondContact O-N 3.42Å
608	P	56.3	Low	75.3	Confident	114 Å²	114	63.9 Å²	63.9	74%	0.74	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-19.1	176.2	20.2	-31.3	0	0	0	113.9
609	F	54.4	Low	75.4	Confident	132 Å²	132	62.2 Å²	62.2	58%	0.579	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-0.6	175.3	-59.5	-75.4	0	0	0	114.3	D607 F611	D607-F609 PolarHBondContact O-N 3.13Å; D607-F609 PolarHBondContact OD1-N 3.16Å; F609-F611 VanDerWaalsContact C-N 3.3Å; F609-F611 WeakPolarHBondContact O-CD2 3.29Å; F609-F611 WeakPolarHBondContact O-CE2 3.38Å; F609-F611 PolarHBondContact O-N 3.13Å
610	D	55.2	Low	75.4	Confident	40 Å²	40	62.5 Å²	62.5	21%	0.214	34%	0.335	C	S	.	.			trans	-77.9	84.9	169.7	-178	16	0	0	0	110.2	D607 T612 G613	D607-D610 HydrophobicContact CB-CB 3.94Å; D607-D610 PolarHBondContact O-N 3.42Å; D610-T612 VanDerWaalsContact CG-OG1 3.3Å; D610-T612 PolarHBondContact O-N 3.08Å; D610-T612 VanDerWaalsContact OD1-CB 3.27Å; D610-T612 WeakPolarHBondContact OD1-CB 3.36Å; D610-T612 WeakPolarHBondContact OD1-CG2 3.36Å; D610-T612 PolarHBondContact OD1-N 2.95Å; D610-T612 PolarHBondContact OD1-OG1 3.14Å; D610-T612 PolarHBondContact OD2-OG1 3.42Å; D610-G613 PolarHBondContact O-N 3.32Å; D610-G613 VanDerWaalsContact O-N 3.12Å
611	F	52.4	Low	75.5	Confident	186 Å²	186	65.1 Å²	65.1	82%	0.816	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.7	175.1	-56.6	-77.1	0	0	0	113.3	F609 G613	F609-F611 VanDerWaalsContact C-N 3.3Å; F609-F611 WeakPolarHBondContact O-CD2 3.29Å; F609-F611 WeakPolarHBondContact O-CE2 3.38Å; F609-F611 PolarHBondContact O-N 3.13Å; F611-G613 PolarHBondContact O-N 2.92Å
612	T	58.5	Low	75.6	Confident	119 Å²	119	68 Å²	68	73%	0.73	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-17	172.8	78.1	0	0	0	0	111.8	D610 R614	D610-T612 VanDerWaalsContact CG-OG1 3.3Å; D610-T612 PolarHBondContact O-N 3.08Å; D610-T612 VanDerWaalsContact OD1-CB 3.27Å; D610-T612 WeakPolarHBondContact OD1-CB 3.36Å; D610-T612 WeakPolarHBondContact OD1-CG2 3.36Å; D610-T612 PolarHBondContact OD1-N 2.95Å; D610-T612 PolarHBondContact OD1-OG1 3.14Å; D610-T612 PolarHBondContact OD2-OG1 3.42Å; T612-R614 VanDerWaalsContact C-N 3.32Å; T612-R614 PolarHBondContact O-N 3.36Å
613	G	53.9	Low	75.8	Confident	37 Å²	37	70.7 Å²	70.7	38%	0.381	39%	0.386	S	S	.	.			trans	77.6	-3.3	159.5	0	0	0	0	0	116.7	D610 F611	D610-G613 PolarHBondContact O-N 3.32Å; D610-G613 VanDerWaalsContact O-N 3.12Å; F611-G613 PolarHBondContact O-N 2.92Å
614	R	61.1	Low	75.9	Confident	124 Å²	124	71.3 Å²	71.3	47%	0.468	39%	0.392	S	S	.	.			trans	-155.2	105.4	177.6	-64.4	-173.4	-167.3	178.4	4.9	112.6	T612 T616 A626	T612-R614 VanDerWaalsContact C-N 3.32Å; T612-R614 PolarHBondContact O-N 3.36Å; R614-T616 PolarHBondContact O-N 3.28Å; R614-A626 HydrophobicContact CB-CB 4.06Å; R614-A626 HydrophobicContact CG-CB 4.27Å
615	N	79.9	Confident	76.1	Confident	61 Å²	61	71.4 Å²	71.4	33%	0.326	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	129.9	159.6	-76.3	-29.4	0	0	0	109.1	Y617 A626 I627	N615-Y617 HydrophobicContact CB-CD2 4.36Å; N615-Y617 HydrophobicContact CB-CE2 3.4Å; N615-Y617 VanDerWaalsContact CB-CE2 3.4Å; N615-Y617 WeakPolarHBondContact CB-OH 3.16Å; N615-Y617 WeakPolarHBondContact O-CD2 3.36Å; N615-Y617 WeakPolarHBondContact O-CE2 3.49Å; N615-A626 WeakPolarHBondContact O-CA 3.39Å; N615-I627 PolarHBondContact O-N 3.37Å
616	T	87.7	Confident	76.7	Confident	81 Å²	81	70.6 Å²	70.6	50%	0.497	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.4	174.2	64	0	0	0	0	110.7	R614 V625 A626	R614-T616 PolarHBondContact O-N 3.28Å; T616-V625 CarbonylContact C-O 3.53Å; T616-V625 WeakPolarHBondContact CA-O 3.47Å; T616-A626 HydrophobicContact CG2-CB 4.33Å
617	Y	91.7	Very high	77.7	Confident	14 Å²	14	69.2 Å²	69.2	6%	0.055	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.6	-173.6	-60.9	-97.4	0	0	0	109.7	L595 Y599 E603 L604 N615 T619 N624 V625 I627	L595-Y617 HydrophobicContact CD1-CG 4.47Å; Y599-Y617 HydrophobicContact CD1-CE1 4.25Å; Y599-Y617 HydrophobicContact CD2-CD1 4.1Å; Y599-Y617 HydrophobicContact CD2-CE1 4.44Å; Y599-Y617 HydrophobicContact CE1-CD1 4.12Å; Y599-Y617 AromaticContact CE1-CE1 3.91Å; Y599-Y617 HydrophobicContact CE1-CE1 3.91Å; Y599-Y617 AromaticContact CE2-CD1 3.53Å; Y599-Y617 HydrophobicContact CE2-CD1 3.53Å; Y599-Y617 HydrophobicContact CE2-CE1 4.11Å; Y599-Y617 HydrophobicContact CG-CE1 4.49Å; Y599-Y617 AromaticContact CZ-CD1 3.54Å; Y599-Y617 AromaticContact CZ-CE1 3.82Å; E603-Y617 PolarHBondContact O-OH 3.38Å; L604-Y617 HydrophobicContact CD2-CD1 4.17Å; L604-Y617 HydrophobicContact CD2-CE1 3.72Å; L604-Y617 HydrophobicContact CD2-CE2 4.35Å; N615-Y617 HydrophobicContact CB-CD2 4.36Å; N615-Y617 HydrophobicContact CB-CE2 3.4Å; N615-Y617 VanDerWaalsContact CB-CE2 3.4Å; N615-Y617 WeakPolarHBondContact CB-OH 3.16Å; N615-Y617 WeakPolarHBondContact O-CD2 3.36Å; N615-Y617 WeakPolarHBondContact O-CE2 3.49Å; Y617-T619 PolarHBondContact O-N 2.89Å; Y617-N624 WeakPolarHBondContact O-CA 3.34Å; Y617-V625 PolarHBondContact N-O 3.27Å; Y617-V625 PolarHBondContact O-N 3.38Å; Y617-I627 HydrophobicContact CD2-CB 3.8Å; Y617-I627 HydrophobicContact CD2-CD1 3.52Å; Y617-I627 HydrophobicContact CD2-CG1 3.63Å; Y617-I627 HydrophobicContact CE2-CB 3.65Å; Y617-I627 HydrophobicContact CE2-CD1 3.98Å; Y617-I627 HydrophobicContact CE2-CG1 4.02Å; Y617-I627 HydrophobicContact CG-CD1 3.93Å; Y617-I627 HydrophobicContact CG-CG1 4.47Å
618	P	94.7	Very high	78.9	Confident	49 Å²	49	66.7 Å²	66.7	32%	0.318	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.6	179.6	25.1	-31.5	0	0	0	111.1	T596 N624	T596-P618 PolarHBondContact N-O 3.46Å; T596-P618 WeakPolarHBondContact OG1-CG 3.46Å; T596-P618 PolarHBondContact OG1-O 3.44Å; P618-N624 VanDerWaalsContact CA-OD1 3.3Å; P618-N624 WeakPolarHBondContact CA-OD1 3.14Å
619	T	96.2	Very high	80.1	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.012	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-84.2	166.8	171.8	64	0	0	0	0	111.4	N592 I594 L595 Y617 D621 G622 R623 V625 F636	N592-T619 WeakPolarHBondContact O-CG2 3.39Å; N592-T619 PolarHBondContact OD1-OG1 3.32Å; I594-T619 CarbonylContact O-C 3.52Å; I594-T619 WeakPolarHBondContact O-CA 3.43Å; L595-T619 HydrophobicContact CD2-CG2 4.04Å; Y617-T619 PolarHBondContact O-N 2.89Å; T619-D621 PolarHBondContact O-N 3.03Å; T619-G622 PolarHBondContact O-N 2.77Å; T619-R623 WeakPolarHBondContact CB-O 3.2Å; T619-R623 WeakPolarHBondContact CG2-O 3.47Å; T619-R623 PolarHBondContact N-O 3.15Å; T619-R623 PolarHBondContact OG1-N 2.87Å; T619-R623 PolarHBondContact OG1-O 3.39Å; T619-V625 HydrophobicContact CG2-CB 4.31Å; T619-V625 HydrophobicContact CG2-CG2 3.48Å; T619-V625 VanDerWaalsContact CG2-CG2 3.48Å; T619-F636 HydrophobicContact CG2-CZ 4.36Å
620	L	95	Very high	81.2	Confident	46 Å²	46	59.6 Å²	59.6	24%	0.241	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.7	176.8	178.3	60	0	0	0	112.4	L546 K549 G591 I594 G622	L546-L620 HydrophobicContact CD2-CD2 3.94Å; K549-L620 HydrophobicContact CD-CD1 4.33Å; K549-L620 HydrophobicContact CD-CD2 4.09Å; G591-L620 WeakPolarHBondContact O-CB 3.46Å; G591-L620 PolarHBondContact O-N 3.02Å; I594-L620 HydrophobicContact CB-CB 4Å; I594-L620 HydrophobicContact CB-CD2 4.4Å; I594-L620 HydrophobicContact CD1-CD2 4.07Å; I594-L620 HydrophobicContact CG2-CB 4.18Å; I594-L620 HydrophobicContact CG2-CD2 4.33Å; I594-L620 PolarHBondContact O-N 2.92Å; L620-G622 PolarHBondContact O-N 3.01Å
621	D	93.5	Very high	81.9	Confident	72 Å²	72	61.8 Å²	61.8	39%	0.385	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-10	172.9	-167.3	54.3	0	0	0	112.8	S588 G591 N592 T619	S588-D621 VanDerWaalsContact CA-OD1 3.23Å; S588-D621 WeakPolarHBondContact CA-OD1 3.44Å; S588-D621 VanDerWaalsContact CB-OD1 3.26Å; S588-D621 WeakPolarHBondContact CB-OD1 2.99Å; S588-D621 PolarHBondContact OG-OD1 2.9Å; S588-D621 PolarHBondContact OG-OD2 3.2Å; G591-D621 PolarHBondContact O-N 3.16Å; N592-D621 PolarHBondContact ND2-OD2 3.46Å; T619-D621 PolarHBondContact O-N 3.03Å
622	G	91.9	Very high	83.1	Confident	61 Å²	61	57.7 Å²	57.7	63%	0.629	35%	0.346	S	S	*	.	S	Bend	trans	92.1	-4.7	-179.1	0	0	0	0	0	114.4	T619 L620	T619-G622 PolarHBondContact O-N 2.77Å; L620-G622 PolarHBondContact O-N 3.01Å
623	R	91	Very high	84.2	Confident	109 Å²	109	55.5 Å²	55.5	41%	0.411	33%	0.334	S	S	.	.			trans	-78.1	140.5	174.3	-170.5	170.8	-179.5	152.5	-8.3	111	N592 T619 A663	N592-R623 VanDerWaalsContact OD1-CB 3.29Å; N592-R623 WeakPolarHBondContact OD1-CB 3.45Å; T619-R623 WeakPolarHBondContact CB-O 3.2Å; T619-R623 WeakPolarHBondContact CG2-O 3.47Å; T619-R623 PolarHBondContact N-O 3.15Å; T619-R623 PolarHBondContact OG1-N 2.87Å; T619-R623 PolarHBondContact OG1-O 3.39Å; R623-A663 PolarHBondContact NH1-O 3.18Å; R623-A663 PolarHBondContact NH2-O 3.24Å
624	N	90.8	Very high	86	Confident	97 Å²	97	53.8 Å²	53.8	52%	0.519	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	122.7	171.5	-74.9	-28.3	0	0	0	110.3	Y617 P618	Y617-N624 WeakPolarHBondContact O-CA 3.34Å; P618-N624 VanDerWaalsContact CA-OD1 3.3Å; P618-N624 WeakPolarHBondContact CA-OD1 3.14Å
625	V	90.8	Very high	87.4	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.012	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.5	176.4	178.6	0	0	0	0	109.4	T616 Y617 T619 F636 Y661	T616-V625 CarbonylContact C-O 3.53Å; T616-V625 WeakPolarHBondContact CA-O 3.47Å; Y617-V625 PolarHBondContact N-O 3.27Å; Y617-V625 PolarHBondContact O-N 3.38Å; T619-V625 HydrophobicContact CG2-CB 4.31Å; T619-V625 HydrophobicContact CG2-CG2 3.48Å; T619-V625 VanDerWaalsContact CG2-CG2 3.48Å; V625-F636 HydrophobicContact CB-CE1 4.27Å; V625-F636 HydrophobicContact CB-CE2 4.18Å; V625-F636 HydrophobicContact CB-CZ 3.91Å; V625-F636 HydrophobicContact CG1-CD1 3.89Å; V625-F636 HydrophobicContact CG1-CD2 4.06Å; V625-F636 HydrophobicContact CG1-CE1 3.75Å; V625-F636 HydrophobicContact CG1-CE2 3.93Å; V625-F636 HydrophobicContact CG1-CG 4.05Å; V625-F636 HydrophobicContact CG1-CZ 3.77Å; V625-F636 HydrophobicContact CG2-CE1 4.08Å; V625-F636 HydrophobicContact CG2-CZ 3.92Å; V625-Y661 HydrophobicContact CG1-CE2 4.29Å; V625-Y661 HydrophobicContact CG2-CE1 3.76Å
626	A	89.1	Confident	87.9	Confident	23 Å²	23	50.9 Å²	50.9	19%	0.19	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.8	173.2	0	0	0	0	0	110.2	R614 N615 T616 G637	R614-A626 HydrophobicContact CB-CB 4.06Å; R614-A626 HydrophobicContact CG-CB 4.27Å; N615-A626 WeakPolarHBondContact O-CA 3.39Å; T616-A626 HydrophobicContact CG2-CB 4.33Å; A626-G637 WeakPolarHBondContact O-CA 3.31Å; A626-G637 PolarHBondContact O-N 2.98Å
627	I	88.4	Confident	88	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.9	171.5	-55.5	174.7	0	0	0	107.8	M560 L595 L604 N615 Y617 L634 R635 F636	M560-I627 HydrophobicContact CE-CD1 4.33Å; L595-I627 HydrophobicContact CD1-CD1 3.91Å; L604-I627 HydrophobicContact CB-CG2 4.14Å; L604-I627 HydrophobicContact CD1-CD1 4.39Å; L604-I627 HydrophobicContact CD2-CD1 3.82Å; N615-I627 PolarHBondContact O-N 3.37Å; Y617-I627 HydrophobicContact CD2-CB 3.8Å; Y617-I627 HydrophobicContact CD2-CD1 3.52Å; Y617-I627 HydrophobicContact CD2-CG1 3.63Å; Y617-I627 HydrophobicContact CE2-CB 3.65Å; Y617-I627 HydrophobicContact CE2-CD1 3.98Å; Y617-I627 HydrophobicContact CE2-CG1 4.02Å; Y617-I627 HydrophobicContact CG-CD1 3.93Å; Y617-I627 HydrophobicContact CG-CG1 4.47Å; I627-L634 HydrophobicContact CG2-CD2 4.47Å; I627-R635 VanDerWaalsContact CA-O 3.28Å; I627-R635 WeakPolarHBondContact CA-O 3.47Å; I627-R635 WeakPolarHBondContact CG2-O 3.5Å; I627-F636 HydrophobicContact CD1-CD2 3.58Å; I627-F636 HydrophobicContact CD1-CE2 3.89Å; I627-F636 HydrophobicContact CG1-CD2 3.77Å; I627-F636 HydrophobicContact CG1-CE2 4.32Å
628	S	85	Confident	87.8	Confident	31 Å²	31	49.4 Å²	49.4	22%	0.217	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	154.3	-174.6	61.1	0	0	0	0	111.5	L634 R635	S628-L634 CarbonylContact O-C 3.58Å; S628-L634 WeakPolarHBondContact O-CA 3.2Å; S628-R635 PolarHBondContact N-O 3.44Å; S628-R635 PolarHBondContact O-N 3.27Å
629	G	81.2	Confident	87.8	Confident	32 Å²	32	47.1 Å²	47.1	33%	0.33	28%	0.279	S	S	.	.	S	Bend	trans	119.9	-180	177.1	0	0	0	0	0	113.3	S606	S606-G629 PolarHBondContact N-O 2.91Å
630	S	77.6	Confident	87.6	Confident	65 Å²	65	48.3 Å²	48.3	46%	0.455	29%	0.289	S	S	.	.			trans	-93.9	169.7	173.8	54.8	0	0	0	0	111.5	C632 C633 L634	S630-C632 PolarHBondContact O-N 2.94Å; S630-C632 PolarHBondContact OG-SG 2.88Å; S630-C632 VanDerWaalsContact OG-SG 3.36Å; S630-C633 CarbonylContact O-C 3.54Å; S630-C633 PolarHBondContact O-N 3.16Å; S630-L634 WeakPolarHBondContact O-CG 3.5Å; S630-L634 PolarHBondContact O-N 3.32Å
631	E	69.6	Low	87.6	Confident	87 Å²	87	46.7 Å²	46.7	41%	0.407	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-29.5	-176.3	-166.3	175.5	-174.5	0	0	114.5	T605	T605-E631 HydrophobicContact CG2-CB 3.98Å
632	C	76.9	Confident	87.6	Confident	100 Å²	100	46.9 Å²	46.9	68%	0.676	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-21.7	176.4	67.2	0	0	0	0	115	S630	S630-C632 PolarHBondContact O-N 2.94Å; S630-C632 PolarHBondContact OG-SG 2.88Å; S630-C632 VanDerWaalsContact OG-SG 3.36Å
633	C	83.3	Confident	87.6	Confident	72 Å²	72	49 Å²	49	49%	0.486	28%	0.277	S	S	.	.	S	Bend	trans	-148.2	35.1	-148.1	-54.5	0	0	0	0	111.5	S630	S630-C633 CarbonylContact O-C 3.54Å; S630-C633 PolarHBondContact O-N 3.16Å
634	L	90	Very high	87.7	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	27%	0.268	C	S	.	.			trans	-67.7	147.2	179.2	-68.1	173.8	0	0	0	111.8	C601 L604 T605 I627 S628 S630 A640 I641	C601-L634 HydrophobicContact CB-CD1 4.45Å; C601-L634 WeakPolarHBondContact O-CD1 3.45Å; C601-L634 WeakPolarHBondContact SG-CD1 3.2Å; L604-L634 HydrophobicContact CB-CD1 3.86Å; L604-L634 HydrophobicContact CB-CD2 4.47Å; T605-L634 HydrophobicContact CG2-CD2 4.23Å; I627-L634 HydrophobicContact CG2-CD2 4.47Å; S628-L634 CarbonylContact O-C 3.58Å; S628-L634 WeakPolarHBondContact O-CA 3.2Å; S630-L634 WeakPolarHBondContact O-CG 3.5Å; S630-L634 PolarHBondContact O-N 3.32Å; L634-A640 WeakPolarHBondContact O-CA 3.27Å; L634-I641 HydrophobicContact CB-CB 4.24Å; L634-I641 HydrophobicContact CB-CD1 3.73Å; L634-I641 HydrophobicContact CB-CG1 4.04Å; L634-I641 HydrophobicContact CD1-CD1 4.18Å; L634-I641 PolarHBondContact O-N 3.48Å
635	R	90.7	Very high	87.8	Confident	123 Å²	123	41.6 Å²	41.6	46%	0.464	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132.3	172.6	-51.9	-173.6	99	100.1	-6	110.7	I627 S628 Q638 P639	I627-R635 VanDerWaalsContact CA-O 3.28Å; I627-R635 WeakPolarHBondContact CA-O 3.47Å; I627-R635 WeakPolarHBondContact CG2-O 3.5Å; S628-R635 PolarHBondContact N-O 3.44Å; S628-R635 PolarHBondContact O-N 3.27Å; R635-Q638 PolarHBondContact NE-O 3.43Å; R635-Q638 VanDerWaalsContact NE-O 3.15Å; R635-P639 CarbonylContact C-O 3.52Å; R635-P639 VanDerWaalsContact CA-O 3.26Å; R635-P639 WeakPolarHBondContact CA-O 3.44Å
636	F	91.8	Very high	88	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	89.9	173.8	-173.6	-96.2	0	0	0	109.1	M560 N592 L595 T619 V625 I627 Q638 P639 I641 L657 Y661	M560-F636 HydrophobicContact CE-CD2 3.67Å; M560-F636 HydrophobicContact CE-CE2 3.87Å; M560-F636 HydrophobicContact CG-CD1 4.49Å; M560-F636 HydrophobicContact CG-CD2 3.84Å; M560-F636 HydrophobicContact CG-CE1 4.38Å; M560-F636 HydrophobicContact CG-CE2 3.71Å; M560-F636 HydrophobicContact CG-CG 4.22Å; M560-F636 HydrophobicContact CG-CZ 4.01Å; M560-F636 HydrophobicContact SD-CD2 4.03Å; M560-F636 HydrophobicContact SD-CE2 4.39Å; M560-F636 HydrophobicContact SD-CG 4.49Å; N592-F636 WeakPolarHBondContact O-CE1 3.21Å; N592-F636 WeakPolarHBondContact O-CZ 3.46Å; L595-F636 HydrophobicContact CD1-CE2 4.25Å; L595-F636 HydrophobicContact CD2-CE2 3.77Å; L595-F636 HydrophobicContact CD2-CZ 4.13Å; L595-F636 HydrophobicContact CG-CE2 4.1Å; T619-F636 HydrophobicContact CG2-CZ 4.36Å; V625-F636 HydrophobicContact CB-CE1 4.27Å; V625-F636 HydrophobicContact CB-CE2 4.18Å; V625-F636 HydrophobicContact CB-CZ 3.91Å; V625-F636 HydrophobicContact CG1-CD1 3.89Å; V625-F636 HydrophobicContact CG1-CD2 4.06Å; V625-F636 HydrophobicContact CG1-CE1 3.75Å; V625-F636 HydrophobicContact CG1-CE2 3.93Å; V625-F636 HydrophobicContact CG1-CG 4.05Å; V625-F636 HydrophobicContact CG1-CZ 3.77Å; V625-F636 HydrophobicContact CG2-CE1 4.08Å; V625-F636 HydrophobicContact CG2-CZ 3.92Å; I627-F636 HydrophobicContact CD1-CD2 3.58Å; I627-F636 HydrophobicContact CD1-CE2 3.89Å; I627-F636 HydrophobicContact CG1-CD2 3.77Å; I627-F636 HydrophobicContact CG1-CE2 4.32Å; F636-Q638 PolarHBondContact O-N 3.23Å; F636-Q638 VanDerWaalsContact O-N 3.09Å; F636-P639 PolarHBondContact N-O 3.06Å; F636-P639 WeakPolarHBondContact O-CD 3.47Å; F636-P639 WeakPolarHBondContact O-CG 3.27Å; F636-I641 HydrophobicContact CB-CG1 4.47Å; F636-L657 HydrophobicContact CB-CD2 3.65Å; F636-L657 HydrophobicContact CD1-CD1 4.19Å; F636-L657 HydrophobicContact CG-CD2 4.31Å; F636-Y661 HydrophobicContact CD1-CD1 4.37Å; F636-Y661 HydrophobicContact CD1-CD2 4Å; F636-Y661 AromaticContact CD1-CG 3.84Å; F636-Y661 HydrophobicContact CD1-CG 3.84Å; F636-Y661 AromaticContact CE1-CD1 3.83Å; F636-Y661 HydrophobicContact CE1-CD1 3.83Å; F636-Y661 HydrophobicContact CE1-CD2 4.24Å; F636-Y661 HydrophobicContact CE1-CE1 4.35Å; F636-Y661 AromaticContact CE1-CG 3.77Å; F636-Y661 HydrophobicContact CE1-CG 3.77Å
637	G	89.6	Confident	88.4	Confident	18 Å²	18	41.4 Å²	41.4	19%	0.186	25%	0.245	C	C	.	.	S	Bend	trans	66.5	-105.5	-163.3	0	0	0	0	0	110.4	A626	A626-G637 WeakPolarHBondContact O-CA 3.31Å; A626-G637 PolarHBondContact O-N 2.98Å
638	Q	87.8	Confident	88.8	Confident	46 Å²	46	41.7 Å²	41.7	22%	0.215	25%	0.246	C	C	.	.	S	Bend	trans	-95.5	-47.7	177	-67.8	-58.7	-48.3	0	0	114.7	R635 F636	R635-Q638 PolarHBondContact NE-O 3.43Å; R635-Q638 VanDerWaalsContact NE-O 3.15Å; F636-Q638 PolarHBondContact O-N 3.23Å; F636-Q638 VanDerWaalsContact O-N 3.09Å
639	P	93.2	Very high	89.3	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.013	24%	0.239	C	C	.	.	S	Bend	trans	-62.2	137.9	179.8	22.3	-34.8	0	0	0	112.3	R635 F636 L657 R659 Y661	R635-P639 CarbonylContact C-O 3.52Å; R635-P639 VanDerWaalsContact CA-O 3.26Å; R635-P639 WeakPolarHBondContact CA-O 3.44Å; F636-P639 PolarHBondContact N-O 3.06Å; F636-P639 WeakPolarHBondContact O-CD 3.47Å; F636-P639 WeakPolarHBondContact O-CG 3.27Å; P639-L657 HydrophobicContact CB-CB 4.41Å; P639-L657 HydrophobicContact CG-CD1 4.12Å; P639-R659 HydrophobicContact CB-CG 3.91Å; P639-R659 WeakPolarHBondContact CB-O 3.35Å; P639-Y661 HydrophobicContact CG-CD2 4.28Å
640	A	93.6	Very high	89.8	Confident	26 Å²	26	44.2 Å²	44.2	22%	0.215	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-72.9	145.3	170.2	0	0	0	0	0	110.2	L634 T642 L657 K658	L634-A640 WeakPolarHBondContact O-CA 3.27Å; A640-T642 PolarHBondContact O-N 2.97Å; A640-L657 CarbonylContact O-C 3.48Å; A640-L657 WeakPolarHBondContact O-CA 3.36Å; A640-K658 HydrophobicContact CB-CB 4.43Å; A640-K658 PolarHBondContact O-N 2.87Å
641	I	94.3	Very high	90.5	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.067	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	112.6	167.3	-52.8	-174.4	0	0	0	107	M560 L604 L634 F636 H655 M656 L657	M560-I641 HydrophobicContact CE-CD1 4.5Å; M560-I641 HydrophobicContact SD-CD1 4.46Å; L604-I641 HydrophobicContact CD1-CD1 4.37Å; L634-I641 HydrophobicContact CB-CB 4.24Å; L634-I641 HydrophobicContact CB-CD1 3.73Å; L634-I641 HydrophobicContact CB-CG1 4.04Å; L634-I641 HydrophobicContact CD1-CD1 4.18Å; L634-I641 PolarHBondContact O-N 3.48Å; F636-I641 HydrophobicContact CB-CG1 4.47Å; I641-H655 HydrophobicContact CG2-CB 3.92Å; I641-M656 CarbonylContact C-O 3.55Å; I641-M656 WeakPolarHBondContact CA-O 3.21Å; I641-M656 WeakPolarHBondContact CG2-O 3.19Å; I641-L657 HydrophobicContact CG1-CD2 3.91Å
642	T	92.8	Very high	91.8	Very high	75 Å²	75	39.9 Å²	39.9	46%	0.46	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-40.6	-177.1	44.7	0	0	0	0	112.4	A640 M656 K658	A640-T642 PolarHBondContact O-N 2.97Å; T642-M656 PolarHBondContact N-O 3.26Å; T642-M656 PolarHBondContact OG1-O 3.49Å; T642-M656 VanDerWaalsContact OG1-O 3.12Å; T642-K658 VanDerWaalsContact CG2-CA 3.44Å; T642-K658 HydrophobicContact CG2-CB 3.52Å; T642-K658 HydrophobicContact CG2-CG 3.93Å
643	Q	92.2	Very high	92.7	Very high	106 Å²	106	35.5 Å²	35.5	50%	0.495	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	126.4	176.9	-59.4	-177.8	2.2	0	0	109.3	T646 M656	Q643-T646 HydrophobicContact CB-CG2 3.38Å; Q643-M656 HydrophobicContact CB-CB 3.99Å; Q643-M656 HydrophobicContact CG-SD 4.42Å; Q643-M656 PolarHBondContact N-O 3.28Å; Q643-M656 PolarHBondContact O-N 3.48Å
644	C	92.2	Very high	93.4	Very high	31 Å²	31	32.2 Å²	32.2	21%	0.209	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	144.9	178.3	-89.1	0	0	0	0	111.3	C601 T646	C601-C644 HydrophobicContact CB-CB 3.36Å; C601-C644 WeakPolarHBondContact CB-SG 3.32Å; C601-C644 WeakPolarHBondContact SG-CB 3.28Å; C601-C644 CovalentContact SG-SG 2.04Å; C601-C644 PolarHBondContact SG-SG 3.17Å; C644-T646 VanDerWaalsContact C-N 3.33Å; C644-T646 PolarHBondContact O-N 2.85Å
645	D	94.3	Very high	93.7	Very high	20 Å²	20	32.1 Å²	32.1	11%	0.107	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.5	46.9	172.6	-41	-50.5	0	0	0	110.6	C495 P518 C601 G647 M654 H655	C495-D645 HydrophobicContact CB-CB 3.93Å; P518-D645 WeakPolarHBondContact CB-O 3.48Å; C601-D645 WeakPolarHBondContact CB-OD1 3.26Å; C601-D645 WeakPolarHBondContact CB-OD2 3.23Å; C601-D645 PolarHBondContact N-OD1 2.7Å; D645-G647 PolarHBondContact O-N 2.85Å; D645-M654 CarbonylContact C-O 3.59Å; D645-M654 WeakPolarHBondContact CA-O 3.27Å; D645-M654 PolarHBondContact N-O 3.43Å; D645-H655 PolarHBondContact N-ND1 2.96Å; D645-H655 IonicContact OD1-CE1 3.85Å; D645-H655 PolarHBondContact OD1-CE1 3.24Å; D645-H655 IonicContact OD1-ND1 3.79Å
646	T	95.6	Very high	94	Very high	21 Å²	21	26.8 Å²	26.8	13%	0.129	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-12.2	-174.4	54.6	0	0	0	0	113.6	P519 Q643 C644 M654 M656	P519-T646 WeakPolarHBondContact CD-O 3.42Å; Q643-T646 HydrophobicContact CB-CG2 3.38Å; C644-T646 VanDerWaalsContact C-N 3.33Å; C644-T646 PolarHBondContact O-N 2.85Å; T646-M654 PolarHBondContact N-O 2.8Å; T646-M654 WeakPolarHBondContact OG1-CE 3.47Å; T646-M654 PolarHBondContact OG1-O 3.33Å; T646-M656 HydrophobicContact CG2-CB 4.01Å; T646-M656 HydrophobicContact CG2-CE 4.2Å
647	G	97	Very high	94.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.6	156.9	173.3	0	0	0	0	0	110.7	P519 D645 M654	P519-G647 CarbonylContact O-C 3.37Å; P519-G647 VanDerWaalsContact O-CA 3.26Å; P519-G647 WeakPolarHBondContact O-CA 3.5Å; D645-G647 PolarHBondContact O-N 2.85Å; G647-M654 PolarHBondContact O-N 3.27Å
648	V	97.1	Very high	94.5	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.03	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.8	-179.5	-65.8	0	0	0	0	110.9	N494 P518 P519 Y520 A521 G652	N494-V648 HydrophobicContact CB-CG2 4.14Å; P518-V648 HydrophobicContact CB-CG1 4.36Å; P518-V648 HydrophobicContact CG-CB 4.45Å; P518-V648 HydrophobicContact CG-CG1 3.67Å; P518-V648 HydrophobicContact CG-CG2 3.93Å; P519-V648 PolarHBondContact O-N 2.99Å; Y520-V648 WeakPolarHBondContact CA-O 3.47Å; Y520-V648 HydrophobicContact CD2-CG2 4.25Å; A521-V648 PolarHBondContact N-O 3.24Å; V648-G652 WeakPolarHBondContact CA-O 3.35Å
649	T	95.7	Very high	94.9	Very high	12 Å²	12	34.1 Å²	34.1	7%	0.074	17%	0.174	C	C	.	.			trans	-112.3	179.9	162.8	72.7	0	0	0	0	108.3	A521 F524 L527 N651 G652	A521-T649 WeakPolarHBondContact O-CA 3.3Å; F524-T649 HydrophobicContact CD1-CG2 4.21Å; F524-T649 HydrophobicContact CD2-CG2 4.21Å; F524-T649 HydrophobicContact CE1-CG2 4.38Å; F524-T649 HydrophobicContact CE2-CG2 4.39Å; F524-T649 HydrophobicContact CG-CG2 4.15Å; L527-T649 HydrophobicContact CD1-CG2 3.81Å; T649-N651 PolarHBondContact O-N 2.81Å; T649-N651 PolarHBondContact OG1-N 2.94Å; T649-G652 PolarHBondContact N-O 3.46Å; T649-G652 VanDerWaalsContact OG1-CA 3.28Å; T649-G652 WeakPolarHBondContact OG1-CA 3.3Å; T649-G652 PolarHBondContact OG1-N 3.49Å
650	E	91.4	Very high	95	Very high	104 Å²	104	34 Å²	34	49%	0.486	17%	0.173	S	C	.	.	S	Bend	trans	-58.5	-34.5	177.3	-173.3	170.4	-174.8	0	0	112.5
651	N	91.6	Very high	95	Very high	57 Å²	57	33.7 Å²	33.7	31%	0.305	17%	0.167	S	C	.	.	S	Bend	trans	-122.2	11.8	-173.8	-63.1	-54.8	0	0	0	113.6	P553 S556 G557 P598 T649	P553-N651 PolarHBondContact O-ND2 3.34Å; S556-N651 WeakPolarHBondContact CA-O 3.39Å; S556-N651 WeakPolarHBondContact CB-O 3.49Å; S556-N651 PolarHBondContact OG-O 3.27Å; G557-N651 PolarHBondContact N-O 3.04Å; P598-N651 VanDerWaalsContact CB-O 3.31Å; P598-N651 WeakPolarHBondContact CB-O 3.47Å; P598-N651 WeakPolarHBondContact CG-O 3.44Å; T649-N651 PolarHBondContact O-N 2.81Å; T649-N651 PolarHBondContact OG1-N 2.94Å
652	G	96	Very high	94.6	Very high	4 Å²	4	34.4 Å²	34.4	4%	0.041	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	154.1	-165.8	0	0	0	0	0	115.4	F524 G557 V648 T649	F524-G652 VanDerWaalsContact CZ-CA 3.44Å; G557-G652 WeakPolarHBondContact O-CA 3.43Å; V648-G652 WeakPolarHBondContact CA-O 3.35Å; T649-G652 PolarHBondContact N-O 3.46Å; T649-G652 VanDerWaalsContact OG1-CA 3.28Å; T649-G652 WeakPolarHBondContact OG1-CA 3.3Å; T649-G652 PolarHBondContact OG1-N 3.49Å
653	V	97.4	Very high	94	Very high	8 Å²	8	31.8 Å²	31.8	5%	0.048	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.1	178.1	-174.4	0	0	0	0	110.3	F524 G557 T558 V559 P598	F524-V653 WeakPolarHBondContact CE1-O 3.38Å; G557-V653 PolarHBondContact O-N 3.1Å; G557-V653 VanDerWaalsContact O-N 3.16Å; T558-V653 CarbonylContact C-O 3.56Å; T558-V653 WeakPolarHBondContact CA-O 3.21Å; V559-V653 PolarHBondContact N-O 3.43Å; P598-V653 HydrophobicContact CB-CG2 4.33Å
654	M	97.5	Very high	93	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.02	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.7	175.2	-165.1	170.8	74.7	0	0	109.9	F524 L527 L528 L534 V559 T561 D645 T646 G647	F524-M654 HydrophobicContact CE1-CB 4.46Å; L527-M654 HydrophobicContact CB-CE 4.38Å; L527-M654 HydrophobicContact CB-SD 4.32Å; L528-M654 HydrophobicContact CD2-SD 3.84Å; L534-M654 HydrophobicContact CD1-CE 4.14Å; L534-M654 HydrophobicContact CD1-SD 4.35Å; V559-M654 HydrophobicContact CB-CG 4.47Å; V559-M654 WeakPolarHBondContact O-CA 3.5Å; T561-M654 HydrophobicContact CG2-CG 3.53Å; T561-M654 HydrophobicContact CG2-SD 3.58Å; T561-M654 VanDerWaalsContact CG2-SD 3.58Å; D645-M654 CarbonylContact C-O 3.59Å; D645-M654 WeakPolarHBondContact CA-O 3.27Å; D645-M654 PolarHBondContact N-O 3.43Å; T646-M654 PolarHBondContact N-O 2.8Å; T646-M654 WeakPolarHBondContact OG1-CE 3.47Å; T646-M654 PolarHBondContact OG1-O 3.33Å; G647-M654 PolarHBondContact O-N 3.27Å
655	H	96.8	Very high	91.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	166.5	168.1	-49.7	-83.9	0	0	0	109.8	T558 V559 M560 T561 Y599 I641 D645	T558-H655 WeakPolarHBondContact CG2-CD2 3.29Å; T558-H655 WeakPolarHBondContact CG2-NE2 3.07Å; V559-H655 PolarHBondContact O-N 3.48Å; M560-H655 HydrophobicContact SD-CB 3.88Å; T561-H655 PolarHBondContact N-O 2.91Å; T561-H655 PolarHBondContact OG1-O 3.31Å; Y599-H655 PolarHBondContact O-CE1 2.9Å; Y599-H655 PolarHBondContact O-NE2 3.4Å; I641-H655 HydrophobicContact CG2-CB 3.92Å; D645-H655 PolarHBondContact N-ND1 2.96Å; D645-H655 IonicContact OD1-CE1 3.85Å; D645-H655 PolarHBondContact OD1-CE1 3.24Å; D645-H655 IonicContact OD1-ND1 3.79Å
656	M	97	Very high	89.3	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.049	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.5	177.7	-164.5	-179.4	-60	0	0	110.7	T563 I641 T642 Q643 T646	T563-M656 HydrophobicContact CG2-CG 4.43Å; T563-M656 HydrophobicContact CG2-SD 3.63Å; I641-M656 CarbonylContact C-O 3.55Å; I641-M656 WeakPolarHBondContact CA-O 3.21Å; I641-M656 WeakPolarHBondContact CG2-O 3.19Å; T642-M656 PolarHBondContact N-O 3.26Å; T642-M656 PolarHBondContact OG1-O 3.49Å; T642-M656 VanDerWaalsContact OG1-O 3.12Å; Q643-M656 HydrophobicContact CB-CB 3.99Å; Q643-M656 HydrophobicContact CG-SD 4.42Å; Q643-M656 PolarHBondContact N-O 3.28Å; Q643-M656 PolarHBondContact O-N 3.48Å; T646-M656 HydrophobicContact CG2-CB 4.01Å; T646-M656 HydrophobicContact CG2-CE 4.2Å
657	L	96.7	Very high	86.9	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	151	173.9	-58.8	-177.7	0	0	0	110.5	M560 T561 F636 P639 A640 I641 R659	M560-L657 HydrophobicContact CB-CD1 3.92Å; M560-L657 HydrophobicContact CB-CD2 4.39Å; M560-L657 HydrophobicContact CB-CG 4.05Å; M560-L657 HydrophobicContact SD-CD2 4.28Å; T561-L657 WeakPolarHBondContact O-CB 3.47Å; T561-L657 PolarHBondContact O-N 3.38Å; F636-L657 HydrophobicContact CB-CD2 3.65Å; F636-L657 HydrophobicContact CD1-CD1 4.19Å; F636-L657 HydrophobicContact CG-CD2 4.31Å; P639-L657 HydrophobicContact CB-CB 4.41Å; P639-L657 HydrophobicContact CG-CD1 4.12Å; A640-L657 CarbonylContact O-C 3.48Å; A640-L657 WeakPolarHBondContact O-CA 3.36Å; I641-L657 HydrophobicContact CG1-CD2 3.91Å; L657-R659 WeakPolarHBondContact CB-O 3.36Å; L657-R659 PolarHBondContact O-N 3.07Å
658	K	95.4	Very high	84	Confident	142 Å²	142	46.5 Å²	46.5	62%	0.617	25%	0.251	S	S	*	.	S	Bend	trans	-62	-32.5	172.7	-169.8	169.8	177.6	176.8	0	112.6	S566 A640 T642	S566-K658 VanDerWaalsContact CB-O 3.22Å; S566-K658 WeakPolarHBondContact CB-O 3.42Å; A640-K658 HydrophobicContact CB-CB 4.43Å; A640-K658 PolarHBondContact O-N 2.87Å; T642-K658 VanDerWaalsContact CG2-CA 3.44Å; T642-K658 HydrophobicContact CG2-CB 3.52Å; T642-K658 HydrophobicContact CG2-CG 3.93Å
659	R	94.7	Very high	81	Confident	75 Å²	75	48.9 Å²	48.9	28%	0.283	28%	0.276	S	S	.	.	S	Bend	trans	-157	159.8	-179.4	65.4	-177.1	-177.1	94.2	-2.6	109.3	P639 L657 E665	P639-R659 HydrophobicContact CB-CG 3.91Å; P639-R659 WeakPolarHBondContact CB-O 3.35Å; L657-R659 WeakPolarHBondContact CB-O 3.36Å; L657-R659 PolarHBondContact O-N 3.07Å; R659-E665 IonicContact CZ-OE1 3.36Å; R659-E665 IonicContact CZ-OE2 2.76Å; R659-E665 IonicContact NH1-OE1 2.72Å; R659-E665 PolarHBondContact NH1-OE1 2.96Å; R659-E665 IonicContact NH1-OE2 3.35Å; R659-E665 PolarHBondContact NH1-OE2 2.77Å; R659-E665 IonicContact NH2-OE1 3.63Å; R659-E665 IonicContact NH2-OE2 2.91Å; R659-E665 PolarHBondContact NH2-OE2 2.92Å
660	P	95.3	Very high	77.8	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.314	C	S	.	.			trans	-56.4	144.1	176.6	-21	29.5	0	0	0	112.7	F562 S566 F567 M570 F571 F589	F562-P660 HydrophobicContact CB-CG 4.41Å; F562-P660 HydrophobicContact CD1-CB 3.81Å; F562-P660 HydrophobicContact CD1-CG 3.95Å; F562-P660 HydrophobicContact CD2-CG 3.88Å; F562-P660 HydrophobicContact CE1-CB 3.82Å; F562-P660 HydrophobicContact CE1-CG 4.11Å; F562-P660 HydrophobicContact CE2-CG 4.06Å; F562-P660 HydrophobicContact CG-CB 4.21Å; F562-P660 HydrophobicContact CG-CG 3.82Å; F562-P660 HydrophobicContact CZ-CB 4.23Å; F562-P660 HydrophobicContact CZ-CG 4.16Å; S566-P660 WeakPolarHBondContact O-CD 3.28Å; F567-P660 HydrophobicContact CB-CG 4.3Å; F567-P660 HydrophobicContact CD2-CG 3.76Å; M570-P660 HydrophobicContact SD-CB 4.13Å; M570-P660 HydrophobicContact SD-CG 4.25Å; F571-P660 HydrophobicContact CD2-CG 4.33Å; F571-P660 HydrophobicContact CE2-CB 3.98Å; F571-P660 HydrophobicContact CE2-CG 4.03Å; F589-P660 HydrophobicContact CE2-CB 4.37Å; F589-P660 HydrophobicContact CZ-CB 3.9Å
661	Y	94	Very high	74.9	Confident	19 Å²	19	55.8 Å²	55.8	8%	0.075	32%	0.319	C	S	.	.			trans	-78.7	123.6	171.9	173.2	-109.5	0	0	0	110.1	F589 N592 H593 V625 F636 P639 A663	F589-Y661 WeakPolarHBondContact CE2-O 3.45Å; N592-Y661 HydrophobicContact CB-CD1 4.05Å; N592-Y661 HydrophobicContact CB-CE1 4.04Å; H593-Y661 PolarHBondContact CE1-O 3.34Å; H593-Y661 PolarHBondContact NE2-N 3.21Å; V625-Y661 HydrophobicContact CG1-CE2 4.29Å; V625-Y661 HydrophobicContact CG2-CE1 3.76Å; F636-Y661 HydrophobicContact CD1-CD1 4.37Å; F636-Y661 HydrophobicContact CD1-CD2 4Å; F636-Y661 AromaticContact CD1-CG 3.84Å; F636-Y661 HydrophobicContact CD1-CG 3.84Å; F636-Y661 AromaticContact CE1-CD1 3.83Å; F636-Y661 HydrophobicContact CE1-CD1 3.83Å; F636-Y661 HydrophobicContact CE1-CD2 4.24Å; F636-Y661 HydrophobicContact CE1-CE1 4.35Å; F636-Y661 AromaticContact CE1-CG 3.77Å; F636-Y661 HydrophobicContact CE1-CG 3.77Å; P639-Y661 HydrophobicContact CG-CD2 4.28Å; Y661-A663 HydrophobicContact CE1-CB 4.27Å
662	S	87.3	Confident	72.4	Confident	28 Å²	28	58.9 Å²	58.9	20%	0.196	34%	0.342	C	S	.	.			trans	-108.3	124.6	171.6	179.7	0	0	0	0	110	D664 E665	S662-D664 PolarHBondContact O-N 2.88Å; S662-E665 PolarHBondContact O-N 3.36Å
663	A	79.2	Confident	69.4	Low	21 Å²	21	65.8 Å²	65.8	17%	0.174	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-19	-179.1	0	0	0	0	0	112.5	R623 Y661	R623-A663 PolarHBondContact NH1-O 3.18Å; R623-A663 PolarHBondContact NH2-O 3.24Å; Y661-A663 HydrophobicContact CE1-CB 4.27Å
664	D	70.8	Confident	66.1	Low	144 Å²	144	67.9 Å²	67.9	77%	0.77	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.9	179.1	-71.7	-19.2	0	0	0	113.2	S662 T666	S662-D664 PolarHBondContact O-N 2.88Å; D664-T666 PolarHBondContact O-N 3.39Å
665	E	62.4	Low	63.3	Low	64 Å²	64	73.9 Å²	73.9	30%	0.299	43%	0.434	S	S	.	.			trans	-67.6	108.5	174	-76.4	179.2	-167	0	0	109.4	M570 R659 S662 V667	M570-E665 WeakPolarHBondContact CE-OE1 3.45Å; R659-E665 IonicContact CZ-OE1 3.36Å; R659-E665 IonicContact CZ-OE2 2.76Å; R659-E665 IonicContact NH1-OE1 2.72Å; R659-E665 PolarHBondContact NH1-OE1 2.96Å; R659-E665 IonicContact NH1-OE2 3.35Å; R659-E665 PolarHBondContact NH1-OE2 2.77Å; R659-E665 IonicContact NH2-OE1 3.63Å; R659-E665 IonicContact NH2-OE2 2.91Å; R659-E665 PolarHBondContact NH2-OE2 2.92Å; S662-E665 PolarHBondContact O-N 3.36Å; E665-V667 PolarHBondContact O-N 3.39Å
666	T	46.9	Very low	60.1	Low	119 Å²	119	82.5 Å²	82.5	73%	0.73	47%	0.472	S	S	*	.			trans	-51.1	129	163	50.7	0	0	0	0	107.7	D664 S668	D664-T666 PolarHBondContact O-N 3.39Å; T666-S668 VanDerWaalsContact C-N 3.26Å; T666-S668 PolarHBondContact O-N 2.97Å
667	V	45	Very low	56.8	Low	58 Å²	58	84.7 Å²	84.7	35%	0.352	50%	0.497	S	S	.	.			trans	-60.5	94.3	171.6	176.2	0	0	0	0	107.6	E665 G669	E665-V667 PolarHBondContact O-N 3.39Å; V667-G669 PolarHBondContact O-N 3.13Å
668	S	36.2	Very low	53.5	Low	102 Å²	102	90.7 Å²	90.7	71%	0.713	53%	0.527	S	S	*	.	S	Bend	trans	-72.5	84.5	177.8	44.9	0	0	0	0	108.2	T666	T666-S668 VanDerWaalsContact C-N 3.26Å; T666-S668 PolarHBondContact O-N 2.97Å
669	G	33.3	Very low	50.2	Low	54 Å²	54	88.7 Å²	88.7	56%	0.557	53%	0.532	S	S	*	.			trans	167.8	40.6	-176.1	0	0	0	0	0	111.2	V667	V667-G669 PolarHBondContact O-N 3.13Å
670	M	29.1	Very low	46.9	Very low	176 Å²	176	94.3 Å²	94.3	87%	0.867	56%	0.558	S	S	*	*			trans	-96.2	86.6	165.5	-80.2	169.3	163.8	0	0	107.6
671	S	29.9	Very low	43.7	Very low	85 Å²	85	101.7 Å²	101.7	59%	0.594	60%	0.596	S	S	*	*			trans	-88.4	122	132.7	59.5	0	0	0	0	105.5	F673	S671-F673 CarbonylContact O-C 3.47Å; S671-F673 PolarHBondContact O-N 3.31Å; S671-F673 PolarHBondContact OG-O 2.7Å
672	P	40	Very low	40.5	Very low	123 Å²	123	103.9 Å²	103.9	80%	0.799	63%	0.625	S	S	*	*	S	Bend	trans	-67	-2.6	172.7	27.5	-31.4	0	0	0	112
673	F	32.2	Very low	37.4	Very low	148 Å²	148	109.9 Å²	109.9	65%	0.649	66%	0.655	S	S	*	*	S	Bend	trans	-90.8	113	164.2	-56.3	-74.4	0	0	0	107.5	S671	S671-F673 CarbonylContact O-C 3.47Å; S671-F673 PolarHBondContact O-N 3.31Å; S671-F673 PolarHBondContact OG-O 2.7Å
674	G	28.7	Very low	35.1	Very low	52 Å²	52	114.2 Å²	114.2	54%	0.536	68%	0.681	S	S	.	*			trans	-53.2	-178	160.6	0	0	0	0	0	111	F676	G674-F676 PolarHBondContact O-N 3.04Å
675	P	38.3	Very low	33.2	Very low	131 Å²	131	115.8 Å²	115.8	85%	0.851	69%	0.686	S	S	*	*	S	Bend	trans	-67.9	17	-168.3	29.7	-34.6	0	0	0	115.3
676	F	30.4	Very low	31.6	Very low	181 Å²	181	120.7 Å²	120.7	79%	0.794	71%	0.712	S	S	*	*			trans	-112.1	53.1	170.3	-61.2	-74.3	0	0	0	111.4	G674 I678	G674-F676 PolarHBondContact O-N 3.04Å; F676-I678 VanDerWaalsContact C-N 3.34Å; F676-I678 PolarHBondContact O-N 3.04Å
677	G	28	Very low	30.7	Very low	55 Å²	55	117.6 Å²	117.6	57%	0.567	70%	0.704	S	S	*	*			trans	-74	95.2	147.7	0	0	0	0	0	107.3	S679	G677-S679 VanDerWaalsContact C-N 3.28Å; G677-S679 PolarHBondContact O-N 2.93Å
678	I	26.8	Very low	30	Very low	127 Å²	127	119.6 Å²	119.6	65%	0.651	72%	0.72	S	S	*	*			trans	-67.4	86.8	179.7	-56.6	171.4	0	0	0	108.2	F676 F680	F676-I678 VanDerWaalsContact C-N 3.34Å; F676-I678 PolarHBondContact O-N 3.04Å; I678-F680 HydrophobicContact CG2-CD2 3.47Å; I678-F680 VanDerWaalsContact CG2-CD2 3.47Å; I678-F680 HydrophobicContact CG2-CE2 3.44Å; I678-F680 VanDerWaalsContact CG2-CE2 3.44Å; I678-F680 HydrophobicContact CG2-CG 4.27Å; I678-F680 HydrophobicContact CG2-CZ 4.22Å; I678-F680 PolarHBondContact O-N 3.07Å
679	S	25.9	Very low	29.7	Very low	101 Å²	101	125.2 Å²	125.2	71%	0.706	73%	0.732	S	S	*	*			trans	-80.8	98.7	159	60.8	0	0	0	0	107.4	G677 I681	G677-S679 VanDerWaalsContact C-N 3.28Å; G677-S679 PolarHBondContact O-N 2.93Å; S679-I681 PolarHBondContact O-N 2.97Å
680	F	26	Very low	29.3	Very low	192 Å²	192	130.6 Å²	130.6	84%	0.842	74%	0.743	S	S	*	*			trans	-62.7	79.1	163.6	-84.8	-85.7	0	0	0	109.5	I678	I678-F680 HydrophobicContact CG2-CD2 3.47Å; I678-F680 VanDerWaalsContact CG2-CD2 3.47Å; I678-F680 HydrophobicContact CG2-CE2 3.44Å; I678-F680 VanDerWaalsContact CG2-CE2 3.44Å; I678-F680 HydrophobicContact CG2-CG 4.27Å; I678-F680 HydrophobicContact CG2-CZ 4.22Å; I678-F680 PolarHBondContact O-N 3.07Å
681	I	27.7	Very low	29.2	Very low	155 Å²	155	130.6 Å²	130.6	80%	0.795	74%	0.741	S	S	*	*			trans	-141.4	99.8	159.8	-55.1	-178.8	0	0	0	107.7	S679	S679-I681 PolarHBondContact O-N 2.97Å
682	G	25.6	Very low	29.5	Very low	66 Å²	66	139.7 Å²	139.7	68%	0.68	77%	0.77	S	S	*	*			trans	67.9	87.9	149.7	0	0	0	0	0	117.4	P684	G682-P684 WeakPolarHBondContact O-CD 3.32Å
683	N	23.8	Very low	28.9	Very low	154 Å²	154	140.5 Å²	140.5	82%	0.824	77%	0.769	S	S	*	*			trans	-56.9	124.4	143.4	-122.2	-12.8	0	0	0	108
684	P	31.2	Very low	28.8	Very low	111 Å²	111	140.1 Å²	140.1	72%	0.721	78%	0.775	S	S	*	*				-135.3	120.7	124.5	34.8	-22.8	0	0	0	108.8	G682	G682-P684 WeakPolarHBondContact O-CD 3.32Å
685	M	29.2	Very low	28.8	Very low	177 Å²	177	145 Å²	145	87%	0.872	79%	0.789	S	S	*	*			trans	176.6	58.1	145.8	-88.6	-88.1	-169.2	0	0	107.3
686	I	28.7	Very low	28.2	Very low	167 Å²	167	145.8 Å²	145.8	86%	0.856	79%	0.785	S	S	*	*			trans	-89.4	79.4	143.7	-61	175.6	0	0	0	103.7
687	G	29.7	Very low	28.1	Very low	54 Å²	54	143.6 Å²	143.6	56%	0.557	78%	0.784	S	S	*	*			trans	-89.2	102.1	168.8	0	0	0	0	0	107.6	F689	G687-F689 PolarHBondContact O-N 3.36Å
688	S	29.9	Very low	28.1	Very low	100 Å²	100	149.5 Å²	149.5	70%	0.699	80%	0.799	S	S	*	*			trans	-44.4	116.7	170.4	47.2	0	0	0	0	112.3	E690	S688-E690 PolarHBondContact O-N 3.22Å
689	F	29.5	Very low	28.2	Very low	220 Å²	220	151.1 Å²	151.1	97%	0.965	81%	0.809	S	S	*	*			trans	-82.7	76.8	154.8	-106	-92.4	0	0	0	107.7	G687	G687-F689 PolarHBondContact O-N 3.36Å
690	E	23.8	Very low	28.3	Very low	168 Å²	168	155 Å²	155	79%	0.785	82%	0.817	S	S	*	*			trans	-125.4	104.2	158.3	-98.1	-171.5	163.5	0	0	106.2	S688	S688-E690 PolarHBondContact O-N 3.22Å
691	Q	27.1	Very low	28.5	Very low	176 Å²	176	151.9 Å²	151.9	82%	0.822	82%	0.815	S	S	*	*			trans	152.4	120.7	137.9	-86.4	-177.2	-6.1	0	0	111.9
692	F	36.2	Very low	28.6	Very low	275 Å²	275	151.6 Å²	151.6	100%	1.206	82%	0.817	S	S	*	*			trans	73.7	0	165.7	-75.1	-82.3	0	0	0	119.3

Retrieved 692 of 692 residues in 1564.1 ms (Link to these results)

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