A0A077ZBH1_TRITR Loading...

WD40 and TLE N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBH1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 754 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.7	Very low	42	Very low	237 Å²	237	157.5 Å²	157.5	100%	1.167	83%	0.826	S	S	*	*				0	122.3	0	-74.1	174	166.7	0	0	107.5
2	Y	35.1	Very low	41.7	Very low	234 Å²	234	155.7 Å²	155.7	92%	0.918	83%	0.83	S	S	*	*			trans	-115.5	116.7	177.9	-80.6	-82.2	0	0	0	110.1	N4	Y2-N4 PolarHBondContact O-N 3.46Å
3	P	50	Low	41.7	Very low	125 Å²	125	149.5 Å²	149.5	81%	0.812	83%	0.826	S	S	*	*			trans	-86.8	95.5	173	32.2	-29.7	0	0	0	111.5
4	N	39.7	Very low	41.9	Very low	140 Å²	140	150 Å²	150	75%	0.749	82%	0.819	S	S	*	*			trans	31.9	131.5	138.6	-92.9	-44.2	0	0	0	122.8	Y2	Y2-N4 PolarHBondContact O-N 3.46Å
5	R	37.9	Very low	41.8	Very low	226 Å²	226	147.6 Å²	147.6	85%	0.853	81%	0.814	S	S	*	*			trans	80	97.1	142.2	-66.9	177.7	175.8	-169.9	-2.7	120
6	H	43.4	Very low	42.1	Very low	187 Å²	187	146.6 Å²	146.6	87%	0.866	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-69.5	139.8	140.2	-68.1	-74.4	0	0	0	110.7
7	P	43.3	Very low	42.3	Very low	122 Å²	122	149.5 Å²	149.5	79%	0.792	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-74.1	150.4	163.1	-12	28.5	0	0	0	111.6
8	G	39.7	Very low	43.2	Very low	63 Å²	63	146.7 Å²	146.7	65%	0.649	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-70.4	173.3	176.8	0	0	0	0	0	114.4
9	P	41.7	Very low	44.3	Very low	130 Å²	130	142.7 Å²	142.7	84%	0.844	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-67.8	134.6	-171.6	27.9	-35	0	0	0	112.4
10	P	49	Very low	45.9	Very low	97 Å²	97	141.3 Å²	141.3	63%	0.63	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-75.9	146.9	177.5	30.4	-33.6	0	0	0	112.1	F16	P10-F16 HydrophobicContact CB-CZ 4.04Å; P10-F16 HydrophobicContact CG-CE1 4.47Å; P10-F16 HydrophobicContact CG-CZ 3.69Å
11	Q	41.5	Very low	47.6	Very low	172 Å²	172	139.9 Å²	139.9	80%	0.804	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-66.9	154	-178.4	-68.6	-173	3.1	0	0	113.3	G13	Q11-G13 PolarHBondContact O-N 2.73Å
12	P	38.5	Very low	49.6	Very low	135 Å²	135	133.3 Å²	133.3	88%	0.877	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	115.5	175.1	30.4	-33.5	0	0	0	110.6
13	G	42	Very low	51.7	Low	76 Å²	76	124.5 Å²	124.5	78%	0.784	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	154.2	-9.3	170.4	0	0	0	0	0	118.2	Q11	Q11-G13 PolarHBondContact O-N 2.73Å
14	Q	44.7	Very low	53.4	Low	156 Å²	156	121.3 Å²	121.3	73%	0.729	67%	0.67	S	S	*	*	S	Bend	trans	-96.2	134.7	176.6	-79.6	-84.9	-21.5	0	0	111.1	F16	Q14-F16 WeakPolarHBondContact O-CD2 3.42Å; Q14-F16 PolarHBondContact O-N 2.79Å
15	P	40.3	Very low	55.7	Low	114 Å²	114	117.7 Å²	117.7	74%	0.74	65%	0.651	S	S	*	*			trans	-73.7	97.9	177.9	29.9	-32.9	0	0	0	109.8	K17	P15-K17 VanDerWaalsContact C-N 3.35Å; P15-K17 PolarHBondContact O-N 3.32Å
16	F	45.4	Very low	58.2	Low	132 Å²	132	114 Å²	114	58%	0.579	64%	0.637	S	S	*	*			trans	-62.8	91.5	175.1	-76.3	-87.4	0	0	0	111.1	P10 Q14 F18	P10-F16 HydrophobicContact CB-CZ 4.04Å; P10-F16 HydrophobicContact CG-CE1 4.47Å; P10-F16 HydrophobicContact CG-CZ 3.69Å; Q14-F16 WeakPolarHBondContact O-CD2 3.42Å; Q14-F16 PolarHBondContact O-N 2.79Å; F16-F18 AromaticContact CD1-CD2 3.94Å; F16-F18 HydrophobicContact CD1-CD2 3.94Å; F16-F18 HydrophobicContact CD1-CE2 4.26Å; F16-F18 PolarHBondContact O-N 2.87Å
17	K	46.9	Very low	60.4	Low	196 Å²	196	110.8 Å²	110.8	85%	0.852	63%	0.625	S	S	*	*			trans	-72.4	69.8	151.5	-76.1	-173.5	175.3	-179.6	0	108.4	P15 T19	P15-K17 VanDerWaalsContact C-N 3.35Å; P15-K17 PolarHBondContact O-N 3.32Å; K17-T19 PolarHBondContact O-N 2.72Å
18	F	57	Low	62.7	Low	99 Å²	99	110.5 Å²	110.5	43%	0.434	61%	0.611	S	S	.	*			trans	-64.3	105.5	161.8	-122.3	-78.6	0	0	0	106.1	F16 V20 E22 S23	F16-F18 AromaticContact CD1-CD2 3.94Å; F16-F18 HydrophobicContact CD1-CD2 3.94Å; F16-F18 HydrophobicContact CD1-CE2 4.26Å; F16-F18 PolarHBondContact O-N 2.87Å; F18-V20 PolarHBondContact O-N 2.79Å; F18-E22 HydrophobicContact CD1-CB 4.39Å; F18-E22 HydrophobicContact CE1-CB 4.4Å; F18-S23 WeakPolarHBondContact CD1-OG 3.36Å
19	T	65.8	Low	65.1	Low	71 Å²	71	114.1 Å²	114.1	44%	0.436	61%	0.611	S	S	.	*			trans	-69	132.9	177.4	-24.8	0	0	0	0	106.7	K17 I21 E22 S23	K17-T19 PolarHBondContact O-N 2.72Å; T19-I21 HydrophobicContact CG2-CD1 4.31Å; T19-I21 PolarHBondContact O-N 2.8Å; T19-E22 VanDerWaalsContact CB-OE2 3.27Å; T19-E22 WeakPolarHBondContact CB-OE2 3.38Å; T19-E22 PolarHBondContact N-OE2 2.99Å; T19-E22 PolarHBondContact O-N 2.9Å; T19-E22 PolarHBondContact OG1-OE2 3.03Å; T19-S23 PolarHBondContact O-N 2.82Å
20	V	75.5	Confident	67.5	Low	113 Å²	113	113.7 Å²	113.7	69%	0.685	60%	0.598	S	S	*	*	H	α-helix	trans	-51.9	-32.3	-179	176.5	0	0	0	0	111.2	F18 S23 C24	F18-V20 PolarHBondContact O-N 2.79Å; V20-S23 PolarHBondContact O-N 3.44Å; V20-C24 PolarHBondContact O-N 2.83Å; V20-C24 PolarHBondContact O-SG 3.32Å
21	I	82.4	Confident	69.6	Low	112 Å²	112	115.1 Å²	115.1	57%	0.574	59%	0.594	S	S	*	*	H	α-helix	trans	-55.3	-49.7	173.1	-61.5	163.4	0	0	0	112.4	T19 S23 C24 D25	T19-I21 HydrophobicContact CG2-CD1 4.31Å; T19-I21 PolarHBondContact O-N 2.8Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-S23 PolarHBondContact O-N 2.81Å; I21-C24 WeakPolarHBondContact O-CB 3.24Å; I21-C24 PolarHBondContact O-N 3.49Å; I21-C24 VanDerWaalsContact O-N 3.12Å; I21-D25 PolarHBondContact O-N 2.96Å
22	E	80.9	Confident	72	Confident	100 Å²	100	111.4 Å²	111.4	47%	0.467	58%	0.58	S	S	.	*	H	α-helix	trans	-64.9	-37.1	-178.5	-63.2	167.7	114.2	0	0	111.9	F18 T19 R26	F18-E22 HydrophobicContact CD1-CB 4.39Å; F18-E22 HydrophobicContact CE1-CB 4.4Å; T19-E22 VanDerWaalsContact CB-OE2 3.27Å; T19-E22 WeakPolarHBondContact CB-OE2 3.38Å; T19-E22 PolarHBondContact N-OE2 2.99Å; T19-E22 PolarHBondContact O-N 2.9Å; T19-E22 PolarHBondContact OG1-OE2 3.03Å; E22-R26 PolarHBondContact O-N 2.95Å; E22-R26 VanDerWaalsContact O-N 3.1Å
23	S	81.1	Confident	74.6	Confident	48 Å²	48	110.8 Å²	110.8	34%	0.336	56%	0.564	S	S	.	*	H	α-helix	trans	-66.3	-42.5	172	-63.5	0	0	0	0	111.7	F18 T19 V20 I21 I27	F18-S23 WeakPolarHBondContact CD1-OG 3.36Å; T19-S23 PolarHBondContact O-N 2.82Å; V20-S23 PolarHBondContact O-N 3.44Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-S23 PolarHBondContact O-N 2.81Å; S23-I27 WeakPolarHBondContact O-CD1 3.4Å; S23-I27 VanDerWaalsContact O-CG1 3.26Å; S23-I27 WeakPolarHBondContact O-CG1 3.31Å; S23-I27 PolarHBondContact O-N 2.87Å
24	C	85.5	Confident	77	Confident	58 Å²	58	112.9 Å²	112.9	39%	0.392	56%	0.556	S	S	.	*	H	α-helix	trans	-63.3	-40.1	176.3	-73.5	0	0	0	0	112.4	V20 I21 I27 K28	V20-C24 PolarHBondContact O-N 2.83Å; V20-C24 PolarHBondContact O-SG 3.32Å; I21-C24 WeakPolarHBondContact O-CB 3.24Å; I21-C24 PolarHBondContact O-N 3.49Å; I21-C24 VanDerWaalsContact O-N 3.12Å; C24-I27 PolarHBondContact O-N 2.88Å; C24-K28 WeakPolarHBondContact O-CG 3.28Å; C24-K28 PolarHBondContact O-N 2.91Å
25	D	88.2	Confident	79.1	Confident	64 Å²	64	110.8 Å²	110.8	34%	0.342	55%	0.546	S	S	.	.	H	α-helix	trans	-71.4	-39.7	-179.6	-68.8	-27.6	0	0	0	111.7	I21 I27 K28 E29	I21-D25 PolarHBondContact O-N 2.96Å; D25-I27 VanDerWaalsContact C-N 3.32Å; D25-I27 PolarHBondContact O-N 3.5Å; D25-K28 WeakPolarHBondContact O-CB 3.24Å; D25-K28 PolarHBondContact O-N 3.44Å; D25-K28 VanDerWaalsContact O-N 3.14Å; D25-K28 IonicContact OD1-NZ 3.83Å; D25-K28 PolarHBondContact OD1-NZ 3.32Å; D25-E29 PolarHBondContact O-N 3.2Å
26	R	88.6	Confident	81.6	Confident	150 Å²	150	108.2 Å²	108.2	57%	0.566	54%	0.535	S	S	*	.	H	α-helix	trans	-60.2	-40.4	170.3	-171.6	176	-63.5	-177.8	1.6	112.5	E22 K28 E29 E30	E22-R26 PolarHBondContact O-N 2.95Å; E22-R26 VanDerWaalsContact O-N 3.1Å; R26-K28 VanDerWaalsContact C-N 3.32Å; R26-K28 PolarHBondContact O-N 3.46Å; R26-E29 PolarHBondContact O-N 2.86Å; R26-E30 WeakPolarHBondContact O-CG 3.32Å; R26-E30 PolarHBondContact O-N 3.18Å
27	I	90.2	Very high	83.8	Confident	118 Å²	118	106.7 Å²	106.7	61%	0.605	53%	0.529	S	S	*	.	H	α-helix	trans	-63.8	-37	176.1	-70.4	165.3	0	0	0	111.3	S23 C24 D25 F31	S23-I27 WeakPolarHBondContact O-CD1 3.4Å; S23-I27 VanDerWaalsContact O-CG1 3.26Å; S23-I27 WeakPolarHBondContact O-CG1 3.31Å; S23-I27 PolarHBondContact O-N 2.87Å; C24-I27 PolarHBondContact O-N 2.88Å; D25-I27 VanDerWaalsContact C-N 3.32Å; D25-I27 PolarHBondContact O-N 3.5Å; I27-F31 VanDerWaalsContact O-CB 3.24Å; I27-F31 WeakPolarHBondContact O-CB 3.37Å; I27-F31 PolarHBondContact O-N 3.05Å
28	K	91.3	Very high	86	Confident	117 Å²	117	105.1 Å²	105.1	51%	0.509	52%	0.519	S	S	.	.	H	α-helix	trans	-65.5	-42.2	173.7	-66.8	167.5	-163.7	161.7	0	111.8	C24 D25 R26 F31 N32	C24-K28 WeakPolarHBondContact O-CG 3.28Å; C24-K28 PolarHBondContact O-N 2.91Å; D25-K28 WeakPolarHBondContact O-CB 3.24Å; D25-K28 PolarHBondContact O-N 3.44Å; D25-K28 VanDerWaalsContact O-N 3.14Å; D25-K28 IonicContact OD1-NZ 3.83Å; D25-K28 PolarHBondContact OD1-NZ 3.32Å; R26-K28 VanDerWaalsContact C-N 3.32Å; R26-K28 PolarHBondContact O-N 3.46Å; K28-F31 PolarHBondContact O-N 3.11Å; K28-N32 WeakPolarHBondContact O-CB 3.39Å; K28-N32 PolarHBondContact O-N 3.41Å; K28-N32 PolarHBondContact O-ND2 2.97Å; K28-N32 VanDerWaalsContact O-ND2 3.17Å
29	E	91.8	Very high	87.6	Confident	138 Å²	138	105.9 Å²	105.9	65%	0.645	52%	0.524	S	S	*	.	H	α-helix	trans	-61.5	-48.8	177.5	-72	177.4	168.6	0	0	111.6	D25 R26 F31 N32 F33	D25-E29 PolarHBondContact O-N 3.2Å; R26-E29 PolarHBondContact O-N 2.86Å; E29-F31 PolarHBondContact O-N 2.86Å; E29-N32 PolarHBondContact O-N 3.29Å; E29-F33 WeakPolarHBondContact O-CB 3.25Å; E29-F33 PolarHBondContact O-N 3.19Å
30	E	90.7	Very high	88.9	Confident	121 Å²	121	105.9 Å²	105.9	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-61.8	-41.2	175.5	-67.8	-67.4	161.8	0	0	112.1	R26 F33 L34	R26-E30 WeakPolarHBondContact O-CG 3.32Å; R26-E30 PolarHBondContact O-N 3.18Å; E30-F33 PolarHBondContact O-N 2.78Å; E30-L34 WeakPolarHBondContact O-CB 3.46Å; E30-L34 PolarHBondContact O-N 2.9Å
31	F	92.5	Very high	89.7	Confident	127 Å²	127	105.4 Å²	105.4	56%	0.557	52%	0.52	S	S	*	.	H	α-helix	trans	-63.3	-45.8	176	-179	-92.5	0	0	0	112	I27 K28 E29 L34 Q35	I27-F31 VanDerWaalsContact O-CB 3.24Å; I27-F31 WeakPolarHBondContact O-CB 3.37Å; I27-F31 PolarHBondContact O-N 3.05Å; K28-F31 PolarHBondContact O-N 3.11Å; E29-F31 PolarHBondContact O-N 2.86Å; F31-L34 PolarHBondContact O-N 3.32Å; F31-Q35 WeakPolarHBondContact O-CB 3.28Å; F31-Q35 PolarHBondContact O-N 2.95Å
32	N	92.4	Very high	90.2	Very high	94 Å²	94	104.8 Å²	104.8	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-39.7	177.2	-71.2	-26.5	0	0	0	111.6	K28 E29 Q35 A36	K28-N32 WeakPolarHBondContact O-CB 3.39Å; K28-N32 PolarHBondContact O-N 3.41Å; K28-N32 PolarHBondContact O-ND2 2.97Å; K28-N32 VanDerWaalsContact O-ND2 3.17Å; E29-N32 PolarHBondContact O-N 3.29Å; N32-Q35 PolarHBondContact O-N 2.94Å; N32-A36 WeakPolarHBondContact O-CB 3.44Å; N32-A36 PolarHBondContact O-N 2.88Å
33	F	92.7	Very high	90.7	Very high	123 Å²	123	104.3 Å²	104.3	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-63.3	-46.7	174.8	-179.9	-99.8	0	0	0	111.5	E29 E30 Q35 A36 Q37	E29-F33 WeakPolarHBondContact O-CB 3.25Å; E29-F33 PolarHBondContact O-N 3.19Å; E30-F33 PolarHBondContact O-N 2.78Å; F33-Q35 VanDerWaalsContact C-N 3.33Å; F33-Q35 PolarHBondContact O-N 3.43Å; F33-A36 PolarHBondContact O-N 3.02Å; F33-Q37 HydrophobicContact CD1-CG 4.24Å; F33-Q37 HydrophobicContact CE1-CG 3.83Å; F33-Q37 HydrophobicContact CE2-CG 4.5Å; F33-Q37 HydrophobicContact CZ-CG 3.98Å; F33-Q37 WeakPolarHBondContact O-CG 3.4Å; F33-Q37 PolarHBondContact O-N 2.8Å
34	L	92.5	Very high	91.2	Very high	120 Å²	120	107.4 Å²	107.4	63%	0.628	52%	0.523	S	S	*	.	H	α-helix	trans	-64.3	-37.3	177.1	-173.3	62.7	0	0	0	112.1	E30 F31 Q37 Y38	E30-L34 WeakPolarHBondContact O-CB 3.46Å; E30-L34 PolarHBondContact O-N 2.9Å; F31-L34 PolarHBondContact O-N 3.32Å; L34-Q37 PolarHBondContact O-N 3.47Å; L34-Y38 WeakPolarHBondContact O-CB 3.25Å; L34-Y38 PolarHBondContact O-N 2.85Å
35	Q	90.4	Very high	91.3	Very high	111 Å²	111	108.2 Å²	108.2	52%	0.519	53%	0.528	S	S	.	.	H	α-helix	trans	-64.9	-39.3	174.9	-168.6	174.2	22.1	0	0	111.9	F31 N32 F33 H39	F31-Q35 WeakPolarHBondContact O-CB 3.28Å; F31-Q35 PolarHBondContact O-N 2.95Å; N32-Q35 PolarHBondContact O-N 2.94Å; F33-Q35 VanDerWaalsContact C-N 3.33Å; F33-Q35 PolarHBondContact O-N 3.43Å; Q35-H39 PolarHBondContact O-N 3.22Å
36	A	92.8	Very high	91.4	Very high	60 Å²	60	109.4 Å²	109.4	50%	0.496	53%	0.531	S	S	.	.	H	α-helix	trans	-66.7	-42.1	173.8	0	0	0	0	0	112.3	N32 F33 H39 S40	N32-A36 WeakPolarHBondContact O-CB 3.44Å; N32-A36 PolarHBondContact O-N 2.88Å; F33-A36 PolarHBondContact O-N 3.02Å; A36-H39 PolarHBondContact O-N 2.98Å; A36-S40 PolarHBondContact O-N 2.69Å
37	Q	91.7	Very high	91.6	Very high	100 Å²	100	107.8 Å²	107.8	47%	0.467	53%	0.529	S	S	.	.	H	α-helix	trans	-61.6	-45	174.1	-70.7	-65	-34.1	0	0	111.7	F33 L34 H39 S40 L41	F33-Q37 HydrophobicContact CD1-CG 4.24Å; F33-Q37 HydrophobicContact CE1-CG 3.83Å; F33-Q37 HydrophobicContact CE2-CG 4.5Å; F33-Q37 HydrophobicContact CZ-CG 3.98Å; F33-Q37 WeakPolarHBondContact O-CG 3.4Å; F33-Q37 PolarHBondContact O-N 2.8Å; L34-Q37 PolarHBondContact O-N 3.47Å; Q37-H39 VanDerWaalsContact C-N 3.34Å; Q37-H39 PolarHBondContact O-N 2.92Å; Q37-S40 PolarHBondContact O-N 2.99Å; Q37-L41 WeakPolarHBondContact O-CB 3.39Å; Q37-L41 PolarHBondContact O-N 2.87Å
38	Y	91.2	Very high	91.6	Very high	163 Å²	163	106.9 Å²	106.9	64%	0.639	52%	0.524	S	S	*	.	H	α-helix	trans	-59.2	-43.1	175.2	175.1	-99.3	0	0	0	112.1	L34 L41 K42	L34-Y38 WeakPolarHBondContact O-CB 3.25Å; L34-Y38 PolarHBondContact O-N 2.85Å; Y38-L41 PolarHBondContact O-N 2.83Å; Y38-K42 WeakPolarHBondContact O-CB 3.47Å; Y38-K42 PolarHBondContact O-N 3.01Å
39	H	92.2	Very high	91.4	Very high	116 Å²	116	103.7 Å²	103.7	54%	0.537	52%	0.52	S	S	.	.	H	α-helix	trans	-66.7	-40.5	177.9	-165.7	52.7	0	0	0	112.4	Q35 A36 Q37 K42 L43	Q35-H39 PolarHBondContact O-N 3.22Å; A36-H39 PolarHBondContact O-N 2.98Å; Q37-H39 VanDerWaalsContact C-N 3.34Å; Q37-H39 PolarHBondContact O-N 2.92Å; H39-K42 PolarHBondContact O-N 2.94Å; H39-L43 WeakPolarHBondContact O-CG 3.49Å; H39-L43 PolarHBondContact O-N 2.87Å; H39-L43 VanDerWaalsContact O-N 3.16Å
40	S	92.8	Very high	91.3	Very high	70 Å²	70	103.8 Å²	103.8	49%	0.49	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-46.9	174.8	-169.4	0	0	0	0	112.1	A36 Q37 K42 L43 E44	A36-S40 PolarHBondContact O-N 2.69Å; Q37-S40 PolarHBondContact O-N 2.99Å; S40-K42 VanDerWaalsContact C-N 3.32Å; S40-K42 PolarHBondContact O-N 2.84Å; S40-L43 PolarHBondContact O-N 3.35Å; S40-E44 PolarHBondContact O-N 3.34Å; S40-E44 VanDerWaalsContact O-N 3.11Å
41	L	92.8	Very high	91.3	Very high	103 Å²	103	102.5 Å²	102.5	54%	0.539	51%	0.514	S	S	.	.	H	α-helix	trans	-65.8	-36.2	179.4	-173.5	64.9	0	0	0	111.5	Q37 Y38 E44 C45	Q37-L41 WeakPolarHBondContact O-CB 3.39Å; Q37-L41 PolarHBondContact O-N 2.87Å; Y38-L41 PolarHBondContact O-N 2.83Å; L41-E44 PolarHBondContact O-N 2.55Å; L41-C45 PolarHBondContact O-N 3.47Å; L41-C45 PolarHBondContact O-SG 2.9Å; L41-C45 VanDerWaalsContact O-SG 3.36Å
42	K	91.9	Very high	91	Very high	99 Å²	99	101.3 Å²	101.3	43%	0.43	51%	0.509	S	S	.	.	H	α-helix	trans	-59.7	-46.4	174.3	-176.3	179.4	171.1	-175.9	0	111.7	Y38 H39 S40 E44 C45 E46	Y38-K42 WeakPolarHBondContact O-CB 3.47Å; Y38-K42 PolarHBondContact O-N 3.01Å; H39-K42 PolarHBondContact O-N 2.94Å; S40-K42 VanDerWaalsContact C-N 3.32Å; S40-K42 PolarHBondContact O-N 2.84Å; K42-E44 VanDerWaalsContact C-N 3.31Å; K42-E44 PolarHBondContact O-N 3.17Å; K42-C45 PolarHBondContact O-N 2.84Å; K42-E46 WeakPolarHBondContact CE-OE1 3.49Å; K42-E46 IonicContact NZ-OE1 2.67Å; K42-E46 WeakPolarHBondContact O-CG 3.46Å; K42-E46 PolarHBondContact O-N 3.18Å
43	L	91.7	Very high	90.8	Very high	90 Å²	90	99.7 Å²	99.7	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-63.5	-36.2	177.1	-69.5	168.2	0	0	0	112.3	H39 S40 E46 K47	H39-L43 WeakPolarHBondContact O-CG 3.49Å; H39-L43 PolarHBondContact O-N 2.87Å; H39-L43 VanDerWaalsContact O-N 3.16Å; S40-L43 PolarHBondContact O-N 3.35Å; L43-E46 PolarHBondContact O-N 3.41Å; L43-K47 WeakPolarHBondContact O-CB 3.43Å; L43-K47 PolarHBondContact O-N 2.86Å
44	E	91.8	Very high	90.4	Very high	114 Å²	114	97.7 Å²	97.7	53%	0.533	50%	0.495	S	S	.	.	H	α-helix	trans	-68.1	-41.3	175.1	-170.7	169.8	-162.3	0	0	112	S40 L41 K42 K47 L48	S40-E44 PolarHBondContact O-N 3.34Å; S40-E44 VanDerWaalsContact O-N 3.11Å; L41-E44 PolarHBondContact O-N 2.55Å; K42-E44 VanDerWaalsContact C-N 3.31Å; K42-E44 PolarHBondContact O-N 3.17Å; E44-K47 PolarHBondContact O-N 2.56Å; E44-L48 HydrophobicContact CG-CD1 4.4Å; E44-L48 WeakPolarHBondContact O-CG 3.35Å; E44-L48 PolarHBondContact O-N 2.87Å
45	C	87.5	Confident	90.1	Very high	75 Å²	75	98.5 Å²	98.5	51%	0.507	50%	0.497	S	S	.	.	H	α-helix	trans	-62.2	-41	172.1	-69.2	0	0	0	0	112.5	L41 K42 L48 A49	L41-C45 PolarHBondContact O-N 3.47Å; L41-C45 PolarHBondContact O-SG 2.9Å; L41-C45 VanDerWaalsContact O-SG 3.36Å; K42-C45 PolarHBondContact O-N 2.84Å; C45-L48 PolarHBondContact O-N 3.01Å; C45-A49 WeakPolarHBondContact O-CB 3.29Å; C45-A49 PolarHBondContact O-N 2.78Å
46	E	90	Very high	89.8	Confident	89 Å²	89	95.9 Å²	95.9	42%	0.416	49%	0.485	S	S	.	.	H	α-helix	trans	-63.7	-41.8	175.8	-74.5	172.8	178.7	0	0	111.7	K42 L43 A49 Q50	K42-E46 WeakPolarHBondContact CE-OE1 3.49Å; K42-E46 IonicContact NZ-OE1 2.67Å; K42-E46 WeakPolarHBondContact O-CG 3.46Å; K42-E46 PolarHBondContact O-N 3.18Å; L43-E46 PolarHBondContact O-N 3.41Å; E46-A49 PolarHBondContact O-N 3.48Å; E46-Q50 WeakPolarHBondContact O-CG 3.43Å; E46-Q50 PolarHBondContact O-N 3.31Å; E46-Q50 VanDerWaalsContact O-N 3.1Å
47	K	93.6	Very high	89.4	Confident	116 Å²	116	100.3 Å²	100.3	50%	0.504	49%	0.489	S	S	.	.	H	α-helix	trans	-61.2	-47.4	173.6	-177.9	176	-178.1	-79.4	0	112.3	L43 E44 A49 Q50 E51	L43-K47 WeakPolarHBondContact O-CB 3.43Å; L43-K47 PolarHBondContact O-N 2.86Å; E44-K47 PolarHBondContact O-N 2.56Å; K47-A49 VanDerWaalsContact C-N 3.29Å; K47-A49 PolarHBondContact O-N 2.93Å; K47-Q50 WeakPolarHBondContact O-CB 3.2Å; K47-Q50 PolarHBondContact O-N 2.76Å; K47-E51 WeakPolarHBondContact CE-OE1 3.43Å; K47-E51 IonicContact NZ-OE1 3.78Å; K47-E51 PolarHBondContact NZ-OE1 2.84Å; K47-E51 PolarHBondContact O-N 2.97Å
48	L	89.1	Confident	89.2	Confident	98 Å²	98	100.4 Å²	100.4	51%	0.513	49%	0.489	S	S	.	.	H	α-helix	trans	-64.4	-33	178.3	-72	170	0	0	0	112.4	E44 C45 K52	E44-L48 HydrophobicContact CG-CD1 4.4Å; E44-L48 WeakPolarHBondContact O-CG 3.35Å; E44-L48 PolarHBondContact O-N 2.87Å; C45-L48 PolarHBondContact O-N 3.01Å; L48-K52 WeakPolarHBondContact O-CB 3.36Å; L48-K52 PolarHBondContact O-N 3.18Å
49	A	88.4	Confident	88.9	Confident	51 Å²	51	99.9 Å²	99.9	42%	0.421	49%	0.487	S	S	.	.	H	α-helix	trans	-66.8	-39.7	173.7	0	0	0	0	0	112.2	C45 E46 K47 T53	C45-A49 WeakPolarHBondContact O-CB 3.29Å; C45-A49 PolarHBondContact O-N 2.78Å; E46-A49 PolarHBondContact O-N 3.48Å; K47-A49 VanDerWaalsContact C-N 3.29Å; K47-A49 PolarHBondContact O-N 2.93Å; A49-T53 PolarHBondContact O-N 3.04Å; A49-T53 VanDerWaalsContact O-N 3.09Å; A49-T53 PolarHBondContact O-OG1 2.79Å
50	Q	88.9	Confident	88.5	Confident	140 Å²	140	96.3 Å²	96.3	65%	0.654	47%	0.471	S	S	*	.	H	α-helix	trans	-64.2	-46.3	173.1	-68.6	174.6	4.3	0	0	111.7	E46 K47 K52 T53 E54	E46-Q50 WeakPolarHBondContact O-CG 3.43Å; E46-Q50 PolarHBondContact O-N 3.31Å; E46-Q50 VanDerWaalsContact O-N 3.1Å; K47-Q50 WeakPolarHBondContact O-CB 3.2Å; K47-Q50 PolarHBondContact O-N 2.76Å; Q50-K52 PolarHBondContact O-N 3.37Å; Q50-T53 WeakPolarHBondContact O-CB 3.38Å; Q50-T53 PolarHBondContact O-N 2.79Å; Q50-T53 VanDerWaalsContact O-N 3.14Å; Q50-E54 PolarHBondContact O-N 2.9Å
51	E	89.9	Confident	88	Confident	94 Å²	94	98.2 Å²	98.2	44%	0.439	47%	0.474	S	S	.	.	H	α-helix	trans	-62.1	-40.8	176.6	-71.8	176.2	-177.5	0	0	112.6	K47 T53 E54 M55	K47-E51 WeakPolarHBondContact CE-OE1 3.43Å; K47-E51 IonicContact NZ-OE1 3.78Å; K47-E51 PolarHBondContact NZ-OE1 2.84Å; K47-E51 PolarHBondContact O-N 2.97Å; E51-T53 VanDerWaalsContact C-N 3.31Å; E51-T53 PolarHBondContact O-N 3.38Å; E51-E54 PolarHBondContact O-N 3.48Å; E51-M55 WeakPolarHBondContact O-CB 3.48Å; E51-M55 PolarHBondContact O-N 3.19Å
52	K	87.5	Confident	87.7	Confident	101 Å²	101	100.4 Å²	100.4	44%	0.439	48%	0.476	S	S	.	.	H	α-helix	trans	-55.7	-47.5	171	179.8	-152.8	164.9	-156.9	0	110.8	L48 Q50 M55 Q56 E682	L48-K52 WeakPolarHBondContact O-CB 3.36Å; L48-K52 PolarHBondContact O-N 3.18Å; Q50-K52 PolarHBondContact O-N 3.37Å; K52-M55 PolarHBondContact O-N 3.05Å; K52-Q56 WeakPolarHBondContact O-CB 3.36Å; K52-Q56 PolarHBondContact O-N 2.67Å; K52-E682 IonicContact NZ-OE1 3.97Å; K52-E682 IonicContact NZ-OE2 3.15Å; K52-E682 PolarHBondContact NZ-OE2 3.38Å
53	T	86.9	Confident	87.3	Confident	60 Å²	60	100.8 Å²	100.8	37%	0.368	48%	0.475	S	S	.	.	H	α-helix	trans	-65.7	-42.5	-176.2	-54.4	0	0	0	0	111	A49 Q50 E51 Q56 R57	A49-T53 PolarHBondContact O-N 3.04Å; A49-T53 VanDerWaalsContact O-N 3.09Å; A49-T53 PolarHBondContact O-OG1 2.79Å; Q50-T53 WeakPolarHBondContact O-CB 3.38Å; Q50-T53 PolarHBondContact O-N 2.79Å; Q50-T53 VanDerWaalsContact O-N 3.14Å; E51-T53 VanDerWaalsContact C-N 3.31Å; E51-T53 PolarHBondContact O-N 3.38Å; T53-Q56 PolarHBondContact O-N 2.97Å; T53-R57 WeakPolarHBondContact O-CG 3.47Å; T53-R57 PolarHBondContact O-N 3.5Å
54	E	85.2	Confident	86.9	Confident	82 Å²	82	100.4 Å²	100.4	38%	0.383	47%	0.471	S	S	.	.	H	α-helix	trans	-68.1	-39.9	178.3	-171.2	60.6	-165.2	0	0	112.5	Q50 E51 Q56 R57 H58	Q50-E54 PolarHBondContact O-N 2.9Å; E51-E54 PolarHBondContact O-N 3.48Å; E54-Q56 VanDerWaalsContact C-N 3.3Å; E54-Q56 PolarHBondContact O-N 3.16Å; E54-R57 PolarHBondContact O-N 3.33Å; E54-R57 WeakPolarHBondContact OE2-CD 3.42Å; E54-R57 IonicContact OE2-CZ 2.67Å; E54-R57 IonicContact OE2-NE 3.26Å; E54-R57 IonicContact OE2-NH1 3.54Å; E54-R57 PolarHBondContact OE2-NH1 2.9Å; E54-H58 PolarHBondContact O-N 3.29Å; E54-H58 VanDerWaalsContact O-N 3.13Å; E54-H58 PolarHBondContact O-ND1 3.49Å; E54-H58 IonicContact OE1-CE1 2.68Å; E54-H58 PolarHBondContact OE1-CE1 3.09Å; E54-H58 IonicContact OE1-ND1 2.64Å
55	M	84.9	Confident	86.4	Confident	136 Å²	136	100.2 Å²	100.2	67%	0.67	47%	0.472	S	S	*	.	H	α-helix	trans	-65.8	-34.5	173.5	-177.2	162.5	52.4	0	0	112	E51 K52 H58 Y59	E51-M55 WeakPolarHBondContact O-CB 3.48Å; E51-M55 PolarHBondContact O-N 3.19Å; K52-M55 PolarHBondContact O-N 3.05Å; M55-H58 PolarHBondContact O-N 3.47Å; M55-Y59 WeakPolarHBondContact O-CB 3.41Å; M55-Y59 PolarHBondContact O-N 3.27Å
56	Q	84.9	Confident	86.1	Confident	57 Å²	57	98.6 Å²	98.6	27%	0.266	46%	0.461	S	S	.	.	H	α-helix	trans	-66.9	-40.5	174.9	-174.3	173.6	-27.5	0	0	112	K52 T53 E54 Y59 I60 E682	K52-Q56 WeakPolarHBondContact O-CB 3.36Å; K52-Q56 PolarHBondContact O-N 2.67Å; T53-Q56 PolarHBondContact O-N 2.97Å; E54-Q56 VanDerWaalsContact C-N 3.3Å; E54-Q56 PolarHBondContact O-N 3.16Å; Q56-Y59 PolarHBondContact O-N 3.38Å; Q56-I60 HydrophobicContact CG-CD1 4.02Å; Q56-I60 WeakPolarHBondContact O-CB 3.32Å; Q56-I60 VanDerWaalsContact O-CG1 3.28Å; Q56-I60 WeakPolarHBondContact O-CG1 3.47Å; Q56-I60 PolarHBondContact O-N 3.41Å; Q56-E682 PolarHBondContact NE2-O 2.91Å
57	R	85.3	Confident	85.8	Confident	153 Å²	153	100.4 Å²	100.4	58%	0.577	47%	0.465	S	S	*	.	H	α-helix	trans	-58.5	-49.3	172	-69.3	173	-171.1	147.8	-0.7	111.8	T53 E54 Y59 I60 M61	T53-R57 WeakPolarHBondContact O-CG 3.47Å; T53-R57 PolarHBondContact O-N 3.5Å; E54-R57 PolarHBondContact O-N 3.33Å; E54-R57 WeakPolarHBondContact OE2-CD 3.42Å; E54-R57 IonicContact OE2-CZ 2.67Å; E54-R57 IonicContact OE2-NE 3.26Å; E54-R57 IonicContact OE2-NH1 3.54Å; E54-R57 PolarHBondContact OE2-NH1 2.9Å; R57-Y59 VanDerWaalsContact C-N 3.32Å; R57-Y59 PolarHBondContact O-N 3.03Å; R57-I60 PolarHBondContact O-N 2.91Å; R57-M61 WeakPolarHBondContact O-CB 3.48Å; R57-M61 PolarHBondContact O-N 3.35Å
58	H	85.7	Confident	85.3	Confident	101 Å²	101	96.8 Å²	96.8	47%	0.468	46%	0.461	S	S	.	.	H	α-helix	trans	-59.9	-40.4	177.3	-75.9	98.6	0	0	0	112.7	E54 M55 Y62	E54-H58 PolarHBondContact O-N 3.29Å; E54-H58 VanDerWaalsContact O-N 3.13Å; E54-H58 PolarHBondContact O-ND1 3.49Å; E54-H58 IonicContact OE1-CE1 2.68Å; E54-H58 PolarHBondContact OE1-CE1 3.09Å; E54-H58 IonicContact OE1-ND1 2.64Å; M55-H58 PolarHBondContact O-N 3.47Å; H58-Y62 WeakPolarHBondContact O-CB 3.48Å; H58-Y62 PolarHBondContact O-N 3.47Å
59	Y	86	Confident	85	Confident	153 Å²	153	97.7 Å²	97.7	60%	0.6	47%	0.465	S	S	*	.	H	α-helix	trans	-66.2	-40.9	177.5	-176	-96.5	0	0	0	112.5	M55 Q56 R57 Y63	M55-Y59 WeakPolarHBondContact O-CB 3.41Å; M55-Y59 PolarHBondContact O-N 3.27Å; Q56-Y59 PolarHBondContact O-N 3.38Å; R57-Y59 VanDerWaalsContact C-N 3.32Å; R57-Y59 PolarHBondContact O-N 3.03Å; Y59-Y63 WeakPolarHBondContact O-CB 3.31Å; Y59-Y63 PolarHBondContact O-N 3.19Å
60	I	82.9	Confident	84.8	Confident	40 Å²	40	98.8 Å²	98.8	21%	0.205	46%	0.464	C	S	.	.	H	α-helix	trans	-63.7	-52	176.1	-72	170.1	0	0	0	110.3	Q56 R57 Y62 Y63 E64	Q56-I60 HydrophobicContact CG-CD1 4.02Å; Q56-I60 WeakPolarHBondContact O-CB 3.32Å; Q56-I60 VanDerWaalsContact O-CG1 3.28Å; Q56-I60 WeakPolarHBondContact O-CG1 3.47Å; Q56-I60 PolarHBondContact O-N 3.41Å; R57-I60 PolarHBondContact O-N 2.91Å; I60-Y62 VanDerWaalsContact C-N 3.31Å; I60-Y62 PolarHBondContact O-N 2.94Å; I60-Y63 WeakPolarHBondContact O-CA 3.5Å; I60-Y63 WeakPolarHBondContact O-CB 3.44Å; I60-Y63 PolarHBondContact O-N 3.04Å; I60-E64 WeakPolarHBondContact CG2-OE1 3.38Å; I60-E64 PolarHBondContact O-N 2.89Å
61	M	83	Confident	84.5	Confident	111 Å²	111	95.6 Å²	95.6	55%	0.547	45%	0.454	S	S	.	.	H	α-helix	trans	-56.7	-41.9	176.9	-177.6	-175.1	70	0	0	112.4	R57 M65	R57-M61 WeakPolarHBondContact O-CB 3.48Å; R57-M61 PolarHBondContact O-N 3.35Å; M61-M65 VanDerWaalsContact O-CB 3.23Å; M61-M65 WeakPolarHBondContact O-CB 3.47Å; M61-M65 PolarHBondContact O-N 3.21Å
62	Y	86.3	Confident	84.2	Confident	148 Å²	148	94.5 Å²	94.5	58%	0.58	45%	0.449	S	S	*	.	H	α-helix	trans	-65	-40.9	174.6	175.4	-91.9	0	0	0	112.1	H58 I60 M65 S66	H58-Y62 WeakPolarHBondContact O-CB 3.48Å; H58-Y62 PolarHBondContact O-N 3.47Å; I60-Y62 VanDerWaalsContact C-N 3.31Å; I60-Y62 PolarHBondContact O-N 2.94Å; Y62-M65 HydrophobicContact CD2-CE 4.43Å; Y62-S66 VanDerWaalsContact O-CB 3.25Å; Y62-S66 WeakPolarHBondContact O-CB 3.28Å; Y62-S66 PolarHBondContact O-N 2.9Å; Y62-S66 PolarHBondContact O-OG 2.99Å
63	Y	84.3	Confident	84.1	Confident	107 Å²	107	94.8 Å²	94.8	42%	0.42	45%	0.453	S	S	.	.	H	α-helix	trans	-65.3	-46	178.4	-174.6	-91.2	0	0	0	111.7	Y59 I60 S66 Y67	Y59-Y63 WeakPolarHBondContact O-CB 3.31Å; Y59-Y63 PolarHBondContact O-N 3.19Å; I60-Y63 WeakPolarHBondContact O-CA 3.5Å; I60-Y63 WeakPolarHBondContact O-CB 3.44Å; I60-Y63 PolarHBondContact O-N 3.04Å; Y63-S66 PolarHBondContact O-N 2.97Å; Y63-S66 PolarHBondContact O-OG 3.19Å; Y63-S66 VanDerWaalsContact O-OG 3.13Å; Y63-Y67 WeakPolarHBondContact O-CB 3.31Å; Y63-Y67 PolarHBondContact O-N 3.37Å
64	E	82.5	Confident	84.1	Confident	83 Å²	83	97.4 Å²	97.4	39%	0.388	46%	0.461	S	S	.	.	H	α-helix	trans	-63.4	-49	176.8	-76.3	155.2	-164	0	0	111.8	I60 S66 Y67 G68	I60-E64 WeakPolarHBondContact CG2-OE1 3.38Å; I60-E64 PolarHBondContact O-N 2.89Å; E64-S66 PolarHBondContact O-N 3.05Å; E64-Y67 PolarHBondContact O-N 3.37Å; E64-G68 PolarHBondContact O-N 2.82Å
65	M	82.2	Confident	84.3	Confident	109 Å²	109	98.8 Å²	98.8	54%	0.537	47%	0.466	S	S	.	.	H	α-helix	trans	-59.7	-46.1	177	-178.6	179.8	62.6	0	0	111.6	M61 Y62 L69	M61-M65 VanDerWaalsContact O-CB 3.23Å; M61-M65 WeakPolarHBondContact O-CB 3.47Å; M61-M65 PolarHBondContact O-N 3.21Å; Y62-M65 HydrophobicContact CD2-CE 4.43Å; M65-L69 HydrophobicContact CG-CD1 3.97Å; M65-L69 VanDerWaalsContact O-CB 3.31Å; M65-L69 WeakPolarHBondContact O-CB 2.8Å; M65-L69 WeakPolarHBondContact O-CG 3.34Å; M65-L69 PolarHBondContact O-N 3.31Å
66	S	81	Confident	84.4	Confident	41 Å²	41	97.1 Å²	97.1	29%	0.287	46%	0.456	S	S	.	.	H	α-helix	trans	-69.9	-34.4	179.7	59	0	0	0	0	112.8	Y62 Y63 E64 N70	Y62-S66 VanDerWaalsContact O-CB 3.25Å; Y62-S66 WeakPolarHBondContact O-CB 3.28Å; Y62-S66 PolarHBondContact O-N 2.9Å; Y62-S66 PolarHBondContact O-OG 2.99Å; Y63-S66 PolarHBondContact O-N 2.97Å; Y63-S66 PolarHBondContact O-OG 3.19Å; Y63-S66 VanDerWaalsContact O-OG 3.13Å; E64-S66 PolarHBondContact O-N 3.05Å; S66-N70 VanDerWaalsContact O-CB 3.23Å; S66-N70 WeakPolarHBondContact O-CB 3.36Å; S66-N70 PolarHBondContact O-N 3Å
67	Y	83	Confident	84.6	Confident	128 Å²	128	97.6 Å²	97.6	50%	0.502	46%	0.463	S	S	.	.	H	α-helix	trans	-68	-48.6	173.9	-172.5	-97.7	0	0	0	111.7	Y63 E64 L69 N70 V71	Y63-Y67 WeakPolarHBondContact O-CB 3.31Å; Y63-Y67 PolarHBondContact O-N 3.37Å; E64-Y67 PolarHBondContact O-N 3.37Å; Y67-L69 PolarHBondContact O-N 2.93Å; Y67-N70 WeakPolarHBondContact O-CB 3.49Å; Y67-N70 PolarHBondContact O-N 2.85Å; Y67-N70 VanDerWaalsContact O-N 3.1Å; Y67-V71 HydrophobicContact CD1-CG2 4.09Å; Y67-V71 HydrophobicContact CE1-CG2 3.72Å; Y67-V71 WeakPolarHBondContact O-CG2 3.34Å; Y67-V71 PolarHBondContact O-N 2.91Å
68	G	83.9	Confident	84.6	Confident	40 Å²	40	93.7 Å²	93.7	41%	0.412	45%	0.451	S	S	.	.	H	α-helix	trans	-59.8	-45.1	177	0	0	0	0	0	112.7	E64 N70 V71 E72	E64-G68 PolarHBondContact O-N 2.82Å; G68-N70 VanDerWaalsContact C-N 3.3Å; G68-N70 PolarHBondContact O-N 3.06Å; G68-V71 PolarHBondContact O-N 3.43Å; G68-E72 PolarHBondContact O-N 3.16Å
69	L	83	Confident	84.7	Confident	116 Å²	116	92.9 Å²	92.9	61%	0.607	45%	0.45	S	S	*	.	H	α-helix	trans	-60.7	-38.3	172.9	-74.4	171.7	0	0	0	112.4	M65 Y67 M73	M65-L69 HydrophobicContact CG-CD1 3.97Å; M65-L69 VanDerWaalsContact O-CB 3.31Å; M65-L69 WeakPolarHBondContact O-CB 2.8Å; M65-L69 WeakPolarHBondContact O-CG 3.34Å; M65-L69 PolarHBondContact O-N 3.31Å; Y67-L69 PolarHBondContact O-N 2.93Å; L69-M73 VanDerWaalsContact O-CB 3.23Å; L69-M73 WeakPolarHBondContact O-CB 3.48Å; L69-M73 PolarHBondContact O-N 3.48Å
70	N	82.6	Confident	84.7	Confident	74 Å²	74	88.2 Å²	88.2	40%	0.396	44%	0.443	S	S	.	.	H	α-helix	trans	-70.2	-40.4	178.8	-168	21.9	0	0	0	112	S66 Y67 G68 M73 H74	S66-N70 VanDerWaalsContact O-CB 3.23Å; S66-N70 WeakPolarHBondContact O-CB 3.36Å; S66-N70 PolarHBondContact O-N 3Å; Y67-N70 WeakPolarHBondContact O-CB 3.49Å; Y67-N70 PolarHBondContact O-N 2.85Å; Y67-N70 VanDerWaalsContact O-N 3.1Å; G68-N70 VanDerWaalsContact C-N 3.3Å; G68-N70 PolarHBondContact O-N 3.06Å; N70-M73 PolarHBondContact O-N 3.18Å; N70-M73 WeakPolarHBondContact OD1-CE 3.47Å; N70-H74 PolarHBondContact O-N 2.83Å; N70-H74 PolarHBondContact O-ND1 3.22Å; N70-H74 PolarHBondContact OD1-CE1 2.94Å; N70-H74 PolarHBondContact OD1-ND1 2.89Å; N70-H74 VanDerWaalsContact OD1-ND1 3.14Å
71	V	84.1	Confident	85	Confident	73 Å²	73	92.3 Å²	92.3	44%	0.442	46%	0.459	S	S	.	.	H	α-helix	trans	-62.9	-47.6	174.2	171.6	0	0	0	0	110.8	Y67 G68 M73 H74 K75	Y67-V71 HydrophobicContact CD1-CG2 4.09Å; Y67-V71 HydrophobicContact CE1-CG2 3.72Å; Y67-V71 WeakPolarHBondContact O-CG2 3.34Å; Y67-V71 PolarHBondContact O-N 2.91Å; G68-V71 PolarHBondContact O-N 3.43Å; V71-M73 PolarHBondContact O-N 2.91Å; V71-H74 PolarHBondContact O-N 3.34Å; V71-K75 PolarHBondContact O-N 3.13Å
72	E	83	Confident	85.4	Confident	72 Å²	72	94.3 Å²	94.3	34%	0.336	46%	0.461	S	S	.	.	H	α-helix	trans	-65.8	-38.9	177.9	-170.8	57.8	-143.2	0	0	111.3	G68 H74 K75 Q76	G68-E72 PolarHBondContact O-N 3.16Å; E72-H74 VanDerWaalsContact C-N 3.33Å; E72-H74 PolarHBondContact O-N 3.15Å; E72-K75 WeakPolarHBondContact O-CB 3.36Å; E72-K75 PolarHBondContact O-N 3.17Å; E72-K75 IonicContact OE1-NZ 2.86Å; E72-K75 PolarHBondContact OE1-NZ 2.88Å; E72-K75 WeakPolarHBondContact OE2-CD 3.45Å; E72-K75 IonicContact OE2-NZ 3.27Å; E72-K75 PolarHBondContact OE2-NZ 3.02Å; E72-Q76 HydrophobicContact CG-CG 4.43Å; E72-Q76 VanDerWaalsContact O-CG 3.29Å; E72-Q76 WeakPolarHBondContact O-CG 3.44Å; E72-Q76 PolarHBondContact O-N 2.91Å; E72-Q76 PolarHBondContact OE1-NE2 2.9Å
73	M	86.2	Confident	85.6	Confident	106 Å²	106	92.1 Å²	92.1	52%	0.522	46%	0.459	S	S	.	.	H	α-helix	trans	-59.4	-40.5	172.4	-175.8	-173.2	70.6	0	0	112.4	L69 N70 V71 T77	L69-M73 VanDerWaalsContact O-CB 3.23Å; L69-M73 WeakPolarHBondContact O-CB 3.48Å; L69-M73 PolarHBondContact O-N 3.48Å; N70-M73 PolarHBondContact O-N 3.18Å; N70-M73 WeakPolarHBondContact OD1-CE 3.47Å; V71-M73 PolarHBondContact O-N 2.91Å; M73-T77 VanDerWaalsContact O-CB 3.31Å; M73-T77 WeakPolarHBondContact O-CB 3.35Å; M73-T77 PolarHBondContact O-N 3.49Å; M73-T77 PolarHBondContact O-OG1 2.86Å
74	H	86.5	Confident	85.7	Confident	115 Å²	115	89.9 Å²	89.9	53%	0.532	45%	0.454	S	S	.	.	H	α-helix	trans	-65.7	-42.6	175.4	-81.2	70.6	0	0	0	111.8	N70 V71 E72 T77 E78	N70-H74 PolarHBondContact O-N 2.83Å; N70-H74 PolarHBondContact O-ND1 3.22Å; N70-H74 PolarHBondContact OD1-CE1 2.94Å; N70-H74 PolarHBondContact OD1-ND1 2.89Å; N70-H74 VanDerWaalsContact OD1-ND1 3.14Å; V71-H74 PolarHBondContact O-N 3.34Å; E72-H74 VanDerWaalsContact C-N 3.33Å; E72-H74 PolarHBondContact O-N 3.15Å; H74-T77 WeakPolarHBondContact O-CB 3.19Å; H74-T77 PolarHBondContact O-N 2.94Å; H74-E78 PolarHBondContact O-N 3.43Å
75	K	88.7	Confident	86	Confident	112 Å²	112	88.1 Å²	88.1	49%	0.487	45%	0.453	S	S	.	.	H	α-helix	trans	-61.4	-47.5	175.5	175.9	175.4	153.3	-149	0	111.9	V71 E72 T77 E78 I79	V71-K75 PolarHBondContact O-N 3.13Å; E72-K75 WeakPolarHBondContact O-CB 3.36Å; E72-K75 PolarHBondContact O-N 3.17Å; E72-K75 IonicContact OE1-NZ 2.86Å; E72-K75 PolarHBondContact OE1-NZ 2.88Å; E72-K75 WeakPolarHBondContact OE2-CD 3.45Å; E72-K75 IonicContact OE2-NZ 3.27Å; E72-K75 PolarHBondContact OE2-NZ 3.02Å; K75-T77 VanDerWaalsContact C-N 3.32Å; K75-T77 PolarHBondContact O-N 2.93Å; K75-E78 PolarHBondContact O-N 3.5Å; K75-I79 HydrophobicContact CG-CD1 4.06Å; K75-I79 VanDerWaalsContact O-CG1 3.3Å; K75-I79 WeakPolarHBondContact O-CG1 3.49Å; K75-I79 PolarHBondContact O-N 2.93Å
76	Q	88	Confident	86.3	Confident	101 Å²	101	87.5 Å²	87.5	47%	0.472	45%	0.451	S	S	.	.	H	α-helix	trans	-61.9	-39.1	174.6	-65.9	-60.8	-28.3	0	0	112	E72 E78 I79 A80	E72-Q76 HydrophobicContact CG-CG 4.43Å; E72-Q76 VanDerWaalsContact O-CG 3.29Å; E72-Q76 WeakPolarHBondContact O-CG 3.44Å; E72-Q76 PolarHBondContact O-N 2.91Å; E72-Q76 PolarHBondContact OE1-NE2 2.9Å; Q76-E78 PolarHBondContact O-N 3.39Å; Q76-I79 PolarHBondContact O-N 3.4Å; Q76-A80 WeakPolarHBondContact O-CB 3.36Å; Q76-A80 PolarHBondContact O-N 2.85Å
77	T	87.5	Confident	86.5	Confident	67 Å²	67	87.9 Å²	87.9	41%	0.411	45%	0.45	S	S	.	.	H	α-helix	trans	-63.5	-40.8	175.4	-60.3	0	0	0	0	112.1	M73 H74 K75 A80 K81	M73-T77 VanDerWaalsContact O-CB 3.31Å; M73-T77 WeakPolarHBondContact O-CB 3.35Å; M73-T77 PolarHBondContact O-N 3.49Å; M73-T77 PolarHBondContact O-OG1 2.86Å; H74-T77 WeakPolarHBondContact O-CB 3.19Å; H74-T77 PolarHBondContact O-N 2.94Å; K75-T77 VanDerWaalsContact C-N 3.32Å; K75-T77 PolarHBondContact O-N 2.93Å; T77-A80 PolarHBondContact O-N 3.08Å; T77-K81 WeakPolarHBondContact O-CG 3.39Å; T77-K81 PolarHBondContact O-N 3.47Å
78	E	86	Confident	86.6	Confident	70 Å²	70	86.9 Å²	86.9	33%	0.327	45%	0.452	S	S	.	.	H	α-helix	trans	-70.7	-40	177.6	-179.4	59.1	-164.8	0	0	112.2	H74 K75 Q76 A80 K81 R82	H74-E78 PolarHBondContact O-N 3.43Å; K75-E78 PolarHBondContact O-N 3.5Å; Q76-E78 PolarHBondContact O-N 3.39Å; E78-A80 VanDerWaalsContact C-N 3.34Å; E78-A80 PolarHBondContact O-N 3.1Å; E78-K81 PolarHBondContact O-N 2.92Å; E78-K81 IonicContact OE2-NZ 2.9Å; E78-R82 WeakPolarHBondContact O-CG 3.47Å; E78-R82 PolarHBondContact O-N 3.32Å; E78-R82 IonicContact OE1-CZ 3.34Å; E78-R82 IonicContact OE1-NE 2.79Å; E78-R82 PolarHBondContact OE1-NE 3.02Å; E78-R82 IonicContact OE1-NH2 2.97Å; E78-R82 PolarHBondContact OE1-NH2 3.44Å
79	I	88.7	Confident	86.7	Confident	85 Å²	85	91.4 Å²	91.4	44%	0.436	46%	0.463	S	S	.	.	H	α-helix	trans	-58.6	-46.9	171.1	-68.5	164.8	0	0	0	110.2	K75 Q76 K81 R82 L83	K75-I79 HydrophobicContact CG-CD1 4.06Å; K75-I79 VanDerWaalsContact O-CG1 3.3Å; K75-I79 WeakPolarHBondContact O-CG1 3.49Å; K75-I79 PolarHBondContact O-N 2.93Å; Q76-I79 PolarHBondContact O-N 3.4Å; I79-K81 PolarHBondContact O-N 3.45Å; I79-R82 PolarHBondContact O-N 3.44Å; I79-L83 WeakPolarHBondContact O-CB 3.4Å; I79-L83 PolarHBondContact O-N 3Å
80	A	86	Confident	86.9	Confident	55 Å²	55	89.3 Å²	89.3	46%	0.455	46%	0.455	S	S	.	.	H	α-helix	trans	-61.9	-40.3	178.1	0	0	0	0	0	112.8	Q76 T77 E78 N84	Q76-A80 WeakPolarHBondContact O-CB 3.36Å; Q76-A80 PolarHBondContact O-N 2.85Å; T77-A80 PolarHBondContact O-N 3.08Å; E78-A80 VanDerWaalsContact C-N 3.34Å; E78-A80 PolarHBondContact O-N 3.1Å; A80-N84 VanDerWaalsContact O-CB 3.27Å; A80-N84 WeakPolarHBondContact O-CB 3.32Å; A80-N84 PolarHBondContact O-N 3.26Å
81	K	88.8	Confident	86.9	Confident	126 Å²	126	86.8 Å²	86.8	55%	0.548	44%	0.441	S	S	.	.	H	α-helix	trans	-60.8	-47.6	173.5	-74.6	170.7	-173.3	166.9	0	111.9	T77 E78 I79 N84 A85	T77-K81 WeakPolarHBondContact O-CG 3.39Å; T77-K81 PolarHBondContact O-N 3.47Å; E78-K81 PolarHBondContact O-N 2.92Å; E78-K81 IonicContact OE2-NZ 2.9Å; I79-K81 PolarHBondContact O-N 3.45Å; K81-N84 PolarHBondContact O-N 2.93Å; K81-A85 WeakPolarHBondContact O-CB 3.5Å; K81-A85 PolarHBondContact O-N 3.37Å
82	R	91.3	Very high	86.9	Confident	153 Å²	153	87.7 Å²	87.7	58%	0.577	45%	0.448	S	S	*	.	H	α-helix	trans	-64.8	-44.1	180	-69.7	176.7	-172.9	-152	-0.5	111.8	E78 I79 N84 A85 I86	E78-R82 WeakPolarHBondContact O-CG 3.47Å; E78-R82 PolarHBondContact O-N 3.32Å; E78-R82 IonicContact OE1-CZ 3.34Å; E78-R82 IonicContact OE1-NE 2.79Å; E78-R82 PolarHBondContact OE1-NE 3.02Å; E78-R82 IonicContact OE1-NH2 2.97Å; E78-R82 PolarHBondContact OE1-NH2 3.44Å; I79-R82 PolarHBondContact O-N 3.44Å; R82-N84 VanDerWaalsContact C-N 3.35Å; R82-N84 PolarHBondContact O-N 2.93Å; R82-A85 PolarHBondContact O-N 2.88Å; R82-I86 WeakPolarHBondContact O-CG1 2.93Å; R82-I86 PolarHBondContact O-N 3.26Å
83	L	89.4	Confident	86.9	Confident	102 Å²	102	92.8 Å²	92.8	53%	0.534	47%	0.47	S	S	.	.	H	α-helix	trans	-59.1	-45.9	175	-176.9	64.6	0	0	0	111.2	I79 A85 I86 L87	I79-L83 WeakPolarHBondContact O-CB 3.4Å; I79-L83 PolarHBondContact O-N 3Å; L83-A85 VanDerWaalsContact C-N 3.34Å; L83-A85 PolarHBondContact O-N 3.32Å; L83-I86 PolarHBondContact O-N 2.96Å; L83-L87 HydrophobicContact CD1-CD1 4.44Å; L83-L87 HydrophobicContact CG-CD1 4.02Å; L83-L87 WeakPolarHBondContact O-CB 3.3Å; L83-L87 WeakPolarHBondContact O-CD1 3.5Å; L83-L87 VanDerWaalsContact O-CG 3.28Å; L83-L87 WeakPolarHBondContact O-CG 3.26Å; L83-L87 PolarHBondContact O-N 3.17Å
84	N	87.1	Confident	86.7	Confident	59 Å²	59	90.5 Å²	90.5	32%	0.316	46%	0.459	S	S	.	.	H	α-helix	trans	-64.5	-35.7	176.8	-170.5	55.1	0	0	0	112.4	A80 K81 R82 L88	A80-N84 VanDerWaalsContact O-CB 3.27Å; A80-N84 WeakPolarHBondContact O-CB 3.32Å; A80-N84 PolarHBondContact O-N 3.26Å; K81-N84 PolarHBondContact O-N 2.93Å; R82-N84 VanDerWaalsContact C-N 3.35Å; R82-N84 PolarHBondContact O-N 2.93Å; N84-L88 VanDerWaalsContact O-CG 3.32Å; N84-L88 WeakPolarHBondContact O-CG 3.1Å; N84-L88 PolarHBondContact O-N 2.83Å
85	A	88.3	Confident	86.6	Confident	46 Å²	46	88.1 Å²	88.1	38%	0.38	46%	0.456	S	S	.	.	H	α-helix	trans	-66.9	-42.5	174.2	0	0	0	0	0	112.6	K81 R82 L83 L88 Q89	K81-A85 WeakPolarHBondContact O-CB 3.5Å; K81-A85 PolarHBondContact O-N 3.37Å; R82-A85 PolarHBondContact O-N 2.88Å; L83-A85 VanDerWaalsContact C-N 3.34Å; L83-A85 PolarHBondContact O-N 3.32Å; A85-L88 PolarHBondContact O-N 2.91Å; A85-Q89 WeakPolarHBondContact O-CG 3.36Å; A85-Q89 PolarHBondContact O-N 2.78Å
86	I	89.4	Confident	86.1	Confident	97 Å²	97	90.8 Å²	90.8	50%	0.497	47%	0.47	S	S	.	.	H	α-helix	trans	-62.9	-46	174.5	-67.2	163.9	0	0	0	110.2	R82 L83 L88 Q89 V90	R82-I86 WeakPolarHBondContact O-CG1 2.93Å; R82-I86 PolarHBondContact O-N 3.26Å; L83-I86 PolarHBondContact O-N 2.96Å; I86-L88 VanDerWaalsContact C-N 3.33Å; I86-L88 PolarHBondContact O-N 3.46Å; I86-Q89 WeakPolarHBondContact O-CB 3.35Å; I86-Q89 PolarHBondContact O-N 2.81Å; I86-V90 HydrophobicContact CG2-CG2 4.32Å; I86-V90 WeakPolarHBondContact O-CG2 3.3Å; I86-V90 PolarHBondContact O-N 3.01Å
87	L	84.9	Confident	85.8	Confident	49 Å²	49	92.5 Å²	92.5	26%	0.257	48%	0.478	S	S	.	.	H	α-helix	trans	-58.6	-43	177.6	-74.2	163.8	0	0	0	112	L83 Q89 V90 I91 V102 V106	L83-L87 HydrophobicContact CD1-CD1 4.44Å; L83-L87 HydrophobicContact CG-CD1 4.02Å; L83-L87 WeakPolarHBondContact O-CB 3.3Å; L83-L87 WeakPolarHBondContact O-CD1 3.5Å; L83-L87 VanDerWaalsContact O-CG 3.28Å; L83-L87 WeakPolarHBondContact O-CG 3.26Å; L83-L87 PolarHBondContact O-N 3.17Å; L87-Q89 VanDerWaalsContact C-N 3.27Å; L87-Q89 PolarHBondContact O-N 2.79Å; L87-V90 PolarHBondContact O-N 3.28Å; L87-I91 WeakPolarHBondContact O-CB 3.33Å; L87-I91 WeakPolarHBondContact O-CD1 3.41Å; L87-I91 WeakPolarHBondContact O-CG1 3.31Å; L87-I91 PolarHBondContact O-N 2.69Å; L87-V102 HydrophobicContact CD2-CG1 4.32Å; L87-V106 HydrophobicContact CD1-CG2 3.79Å
88	L	84.7	Confident	85.5	Confident	106 Å²	106	93.8 Å²	93.8	56%	0.555	48%	0.479	S	S	*	.	H	α-helix	trans	-63.6	-28.3	175	-73.9	170.2	0	0	0	113.6	N84 A85 I86 P92	N84-L88 VanDerWaalsContact O-CG 3.32Å; N84-L88 WeakPolarHBondContact O-CG 3.1Å; N84-L88 PolarHBondContact O-N 2.83Å; A85-L88 PolarHBondContact O-N 2.91Å; I86-L88 VanDerWaalsContact C-N 3.33Å; I86-L88 PolarHBondContact O-N 3.46Å; L88-P92 WeakPolarHBondContact O-CD 3.33Å
89	Q	86.8	Confident	85.3	Confident	136 Å²	136	93.4 Å²	93.4	64%	0.636	48%	0.477	S	S	*	.	H	α-helix	trans	-78.8	-30.9	173.5	-69.2	176.7	7.8	0	0	112.9	A85 I86 L87 P92 F93	A85-Q89 WeakPolarHBondContact O-CG 3.36Å; A85-Q89 PolarHBondContact O-N 2.78Å; I86-Q89 WeakPolarHBondContact O-CB 3.35Å; I86-Q89 PolarHBondContact O-N 2.81Å; L87-Q89 VanDerWaalsContact C-N 3.27Å; L87-Q89 PolarHBondContact O-N 2.79Å; Q89-P92 WeakPolarHBondContact O-CD 3.28Å; Q89-F93 VanDerWaalsContact O-CD2 3.24Å; Q89-F93 WeakPolarHBondContact O-CD2 3.44Å; Q89-F93 VanDerWaalsContact O-CE2 3.24Å; Q89-F93 WeakPolarHBondContact O-CE2 3.4Å
90	V	86.2	Confident	85.1	Confident	71 Å²	71	96.4 Å²	96.4	43%	0.43	49%	0.489	S	S	.	.	H	α-helix	trans	-83.1	-33.9	-179.8	175	0	0	0	0	112.4	I86 L87 P92 F93	I86-V90 HydrophobicContact CG2-CG2 4.32Å; I86-V90 WeakPolarHBondContact O-CG2 3.3Å; I86-V90 PolarHBondContact O-N 3.01Å; L87-V90 PolarHBondContact O-N 3.28Å; V90-P92 VanDerWaalsContact C-CD 3.46Å; V90-P92 VanDerWaalsContact C-N 3.34Å; V90-F93 PolarHBondContact O-N 3.04Å
91	I	84.1	Confident	85	Confident	22 Å²	22	98.9 Å²	98.9	11%	0.113	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-47.2	-43.3	-178.8	-86.2	166.2	0	0	0	114.3	L87 F93 L94 Q99 V102 I103	L87-I91 WeakPolarHBondContact O-CB 3.33Å; L87-I91 WeakPolarHBondContact O-CD1 3.41Å; L87-I91 WeakPolarHBondContact O-CG1 3.31Å; L87-I91 PolarHBondContact O-N 2.69Å; I91-F93 VanDerWaalsContact C-N 3.26Å; I91-F93 PolarHBondContact O-N 3.36Å; I91-L94 PolarHBondContact O-N 3.45Å; I91-Q99 HydrophobicContact CG2-CG 3.83Å; I91-V102 HydrophobicContact CD1-CG1 4.39Å; I91-V102 HydrophobicContact CG1-CG1 4.15Å; I91-I103 HydrophobicContact CD1-CG1 4.04Å
92	P	82.5	Confident	84.8	Confident	91 Å²	91	94.9 Å²	94.9	59%	0.591	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-67.7	-14.9	177.9	-23.3	35.5	0	0	0	116	L88 Q89 V90	L88-P92 WeakPolarHBondContact O-CD 3.33Å; Q89-P92 WeakPolarHBondContact O-CD 3.28Å; V90-P92 VanDerWaalsContact C-CD 3.46Å; V90-P92 VanDerWaalsContact C-N 3.34Å
93	F	84	Confident	84.4	Confident	179 Å²	179	90.9 Å²	90.9	79%	0.785	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-95.8	-2.6	-179.5	-62	-80.4	0	0	0	113.4	Q89 V90 I91	Q89-F93 VanDerWaalsContact O-CD2 3.24Å; Q89-F93 WeakPolarHBondContact O-CD2 3.44Å; Q89-F93 VanDerWaalsContact O-CE2 3.24Å; Q89-F93 WeakPolarHBondContact O-CE2 3.4Å; V90-F93 PolarHBondContact O-N 3.04Å; I91-F93 VanDerWaalsContact C-N 3.26Å; I91-F93 PolarHBondContact O-N 3.36Å
94	L	81.5	Confident	84.2	Confident	59 Å²	59	88.9 Å²	88.9	31%	0.309	47%	0.465	S	S	.	.	S	Bend	trans	-89.1	154.5	178.6	-66.5	172.1	0	0	0	111.5	I91 H98 V102	I91-L94 PolarHBondContact O-N 3.45Å; L94-H98 HydrophobicContact CB-CB 4.2Å; L94-H98 HydrophobicContact CD2-CB 4.45Å; L94-V102 HydrophobicContact CD1-CB 4.42Å; L94-V102 HydrophobicContact CD1-CG2 3.91Å
95	S	84.2	Confident	84	Confident	65 Å²	65	88.7 Å²	88.7	46%	0.455	47%	0.472	S	S	.	.			trans	-62.6	150.4	166.3	56.6	0	0	0	0	110.5	E97 H98 Q99	S95-E97 PolarHBondContact O-N 3.4Å; S95-E97 VanDerWaalsContact O-N 3.11Å; S95-H98 PolarHBondContact O-N 3.41Å; S95-H98 PolarHBondContact OG-ND1 2.99Å; S95-Q99 PolarHBondContact O-N 2.87Å
96	Q	79.9	Confident	83.8	Confident	167 Å²	167	87.8 Å²	87.8	78%	0.78	46%	0.461	S	S	*	.	H	α-helix	trans	-52.6	-38	-177.1	-91.9	-163.2	-9.9	0	0	113.7	Q99 Q100	Q96-Q99 WeakPolarHBondContact O-CB 3.46Å; Q96-Q99 PolarHBondContact O-N 2.77Å; Q96-Q100 PolarHBondContact O-N 2.84Å; Q96-Q100 VanDerWaalsContact O-N 3.09Å
97	E	80.3	Confident	83.6	Confident	137 Å²	137	86.3 Å²	86.3	64%	0.64	46%	0.455	S	S	*	.	H	α-helix	trans	-62.7	-48.1	178	-174.2	175.8	-177.1	0	0	112	S95 Q99 Q100 Q101	S95-E97 PolarHBondContact O-N 3.4Å; S95-E97 VanDerWaalsContact O-N 3.11Å; E97-Q99 VanDerWaalsContact C-N 3.33Å; E97-Q99 PolarHBondContact O-N 3.11Å; E97-Q100 PolarHBondContact O-N 3.41Å; E97-Q101 WeakPolarHBondContact O-CG 3.25Å; E97-Q101 PolarHBondContact O-N 3.1Å
98	H	81.4	Confident	83.5	Confident	95 Å²	95	93 Å²	93	44%	0.44	48%	0.477	S	S	.	.	H	α-helix	trans	-67.6	-34.2	175.4	-65.9	158	0	0	0	112	L94 S95 Q100 Q101 V102	L94-H98 HydrophobicContact CB-CB 4.2Å; L94-H98 HydrophobicContact CD2-CB 4.45Å; S95-H98 PolarHBondContact O-N 3.41Å; S95-H98 PolarHBondContact OG-ND1 2.99Å; H98-Q100 PolarHBondContact O-N 3.15Å; H98-Q101 PolarHBondContact O-N 2.91Å; H98-V102 WeakPolarHBondContact O-CB 3.29Å; H98-V102 WeakPolarHBondContact O-CG2 3.35Å; H98-V102 PolarHBondContact O-N 2.85Å
99	Q	82.7	Confident	83.2	Confident	61 Å²	61	91.3 Å²	91.3	29%	0.285	48%	0.478	S	S	.	.	H	α-helix	trans	-59.3	-46.9	177.7	-159.9	-175.8	4.9	0	0	111.3	I91 S95 Q96 E97 V102 I103	I91-Q99 HydrophobicContact CG2-CG 3.83Å; S95-Q99 PolarHBondContact O-N 2.87Å; Q96-Q99 WeakPolarHBondContact O-CB 3.46Å; Q96-Q99 PolarHBondContact O-N 2.77Å; E97-Q99 VanDerWaalsContact C-N 3.33Å; E97-Q99 PolarHBondContact O-N 3.11Å; Q99-V102 PolarHBondContact O-N 2.85Å; Q99-I103 HydrophobicContact CG-CD1 4.22Å; Q99-I103 WeakPolarHBondContact O-CD1 3.4Å; Q99-I103 VanDerWaalsContact O-CG1 3.29Å; Q99-I103 WeakPolarHBondContact O-CG1 3.42Å; Q99-I103 PolarHBondContact O-N 3.18Å; Q99-I103 VanDerWaalsContact O-N 3.1Å
100	Q	83.6	Confident	82.9	Confident	148 Å²	148	91 Å²	91	69%	0.692	47%	0.474	S	S	*	.	H	α-helix	trans	-63.7	-42	177.6	-155.6	81.1	13.3	0	0	111.8	Q96 E97 H98 A104	Q96-Q100 PolarHBondContact O-N 2.84Å; Q96-Q100 VanDerWaalsContact O-N 3.09Å; E97-Q100 PolarHBondContact O-N 3.41Å; H98-Q100 PolarHBondContact O-N 3.15Å; Q100-A104 WeakPolarHBondContact O-CB 3.43Å; Q100-A104 PolarHBondContact O-N 3.11Å; Q100-A104 VanDerWaalsContact O-N 3.08Å
101	Q	84.5	Confident	82.6	Confident	107 Å²	107	94.4 Å²	94.4	50%	0.5	49%	0.485	S	S	.	.	H	α-helix	trans	-65	-44.6	178.7	-69.5	175.4	14.5	0	0	112.2	E97 H98 A104 A105	E97-Q101 WeakPolarHBondContact O-CG 3.25Å; E97-Q101 PolarHBondContact O-N 3.1Å; H98-Q101 PolarHBondContact O-N 2.91Å; Q101-A104 PolarHBondContact O-N 2.92Å; Q101-A105 WeakPolarHBondContact O-CB 3.34Å; Q101-A105 PolarHBondContact O-N 2.99Å
102	V	83.2	Confident	82.3	Confident	43 Å²	43	97 Å²	97	26%	0.261	50%	0.502	S	S	.	.	H	α-helix	trans	-65.1	-43.9	179	170.2	0	0	0	0	111.1	L87 I91 L94 H98 Q99 A104 A105 V106	L87-V102 HydrophobicContact CD2-CG1 4.32Å; I91-V102 HydrophobicContact CD1-CG1 4.39Å; I91-V102 HydrophobicContact CG1-CG1 4.15Å; L94-V102 HydrophobicContact CD1-CB 4.42Å; L94-V102 HydrophobicContact CD1-CG2 3.91Å; H98-V102 WeakPolarHBondContact O-CB 3.29Å; H98-V102 WeakPolarHBondContact O-CG2 3.35Å; H98-V102 PolarHBondContact O-N 2.85Å; Q99-V102 PolarHBondContact O-N 2.85Å; V102-A104 PolarHBondContact O-N 3.48Å; V102-A105 PolarHBondContact O-N 3.3Å; V102-V106 HydrophobicContact CG1-CG2 4.37Å; V102-V106 WeakPolarHBondContact O-CB 3.48Å; V102-V106 VanDerWaalsContact O-CG2 3.29Å; V102-V106 WeakPolarHBondContact O-CG2 3.41Å; V102-V106 PolarHBondContact O-N 2.73Å
103	I	83.5	Confident	82.1	Confident	69 Å²	69	95.7 Å²	95.7	35%	0.354	49%	0.492	S	S	.	.	H	α-helix	trans	-60.6	-46.5	176.7	-68	166.2	0	0	0	110.5	I91 Q99 A105 V106 D107	I91-I103 HydrophobicContact CD1-CG1 4.04Å; Q99-I103 HydrophobicContact CG-CD1 4.22Å; Q99-I103 WeakPolarHBondContact O-CD1 3.4Å; Q99-I103 VanDerWaalsContact O-CG1 3.29Å; Q99-I103 WeakPolarHBondContact O-CG1 3.42Å; Q99-I103 PolarHBondContact O-N 3.18Å; Q99-I103 VanDerWaalsContact O-N 3.1Å; I103-A105 VanDerWaalsContact C-N 3.33Å; I103-A105 PolarHBondContact O-N 3.23Å; I103-V106 PolarHBondContact O-N 3.03Å; I103-D107 PolarHBondContact O-N 3.24Å
104	A	84.8	Confident	81.5	Confident	59 Å²	59	90.7 Å²	90.7	49%	0.488	48%	0.484	S	S	.	.	H	α-helix	trans	-63.1	-36.4	177.5	0	0	0	0	0	113.2	Q100 Q101 V102 R108	Q100-A104 WeakPolarHBondContact O-CB 3.43Å; Q100-A104 PolarHBondContact O-N 3.11Å; Q100-A104 VanDerWaalsContact O-N 3.08Å; Q101-A104 PolarHBondContact O-N 2.92Å; V102-A104 PolarHBondContact O-N 3.48Å; A104-R108 WeakPolarHBondContact O-CB 3.41Å; A104-R108 PolarHBondContact O-N 3.48Å
105	A	83.6	Confident	81.4	Confident	56 Å²	56	91.7 Å²	91.7	46%	0.463	50%	0.496	S	S	.	.	H	α-helix	trans	-68	-41.5	175	0	0	0	0	0	112.2	Q101 V102 I103 R108 A109	Q101-A105 WeakPolarHBondContact O-CB 3.34Å; Q101-A105 PolarHBondContact O-N 2.99Å; V102-A105 PolarHBondContact O-N 3.3Å; I103-A105 VanDerWaalsContact C-N 3.33Å; I103-A105 PolarHBondContact O-N 3.23Å; A105-R108 PolarHBondContact O-N 3.38Å; A105-A109 WeakPolarHBondContact O-CB 3.48Å; A105-A109 PolarHBondContact O-N 3.35Å
106	V	83.7	Confident	81.1	Confident	26 Å²	26	92.9 Å²	92.9	16%	0.158	49%	0.494	C	S	.	.	H	α-helix	trans	-65.5	-41.8	177.2	168.4	0	0	0	0	111.6	L87 V102 I103 A109 K110	L87-V106 HydrophobicContact CD1-CG2 3.79Å; V102-V106 HydrophobicContact CG1-CG2 4.37Å; V102-V106 WeakPolarHBondContact O-CB 3.48Å; V102-V106 VanDerWaalsContact O-CG2 3.29Å; V102-V106 WeakPolarHBondContact O-CG2 3.41Å; V102-V106 PolarHBondContact O-N 2.73Å; I103-V106 PolarHBondContact O-N 3.03Å; V106-A109 PolarHBondContact O-N 2.85Å; V106-K110 WeakPolarHBondContact O-CG 3.48Å; V106-K110 PolarHBondContact O-N 3.46Å
107	D	84.6	Confident	80.8	Confident	67 Å²	67	89.2 Å²	89.2	36%	0.358	48%	0.48	S	S	.	.	H	α-helix	trans	-73.4	-31	178	-73.3	-20.6	0	0	0	112.7	I103 K110 Q111	I103-D107 PolarHBondContact O-N 3.24Å; D107-K110 PolarHBondContact O-N 2.8Å; D107-K110 IonicContact OD1-NZ 3.65Å; D107-K110 PolarHBondContact OD1-NZ 2.93Å; D107-Q111 WeakPolarHBondContact O-CG 3.29Å
108	R	83.9	Confident	80.7	Confident	190 Å²	190	87.9 Å²	87.9	72%	0.717	48%	0.477	S	S	*	.	H	α-helix	trans	-61.5	-45.1	166.7	-172.4	-170	-64.1	175	-0.8	111.3	A104 A105 K110 Q111	A104-R108 WeakPolarHBondContact O-CB 3.41Å; A104-R108 PolarHBondContact O-N 3.48Å; A105-R108 PolarHBondContact O-N 3.38Å; R108-K110 PolarHBondContact O-N 2.98Å; R108-Q111 PolarHBondContact O-N 3.43Å
109	A	78.8	Confident	80.7	Confident	70 Å²	70	87.3 Å²	87.3	58%	0.579	48%	0.48	S	S	*	.	H	α-helix	trans	-63.7	-24.8	179.7	0	0	0	0	0	113.6	A105 V106 Q111	A105-A109 WeakPolarHBondContact O-CB 3.48Å; A105-A109 PolarHBondContact O-N 3.35Å; V106-A109 PolarHBondContact O-N 2.85Å; A109-Q111 VanDerWaalsContact C-N 3.33Å
110	K	79.8	Confident	80.4	Confident	128 Å²	128	88.6 Å²	88.6	56%	0.557	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.1	172.4	-66.9	168.6	-164.4	156.6	0	113.9	V106 D107 R108	V106-K110 WeakPolarHBondContact O-CG 3.48Å; V106-K110 PolarHBondContact O-N 3.46Å; D107-K110 PolarHBondContact O-N 2.8Å; D107-K110 IonicContact OD1-NZ 3.65Å; D107-K110 PolarHBondContact OD1-NZ 2.93Å; R108-K110 PolarHBondContact O-N 2.98Å
111	Q	80.5	Confident	79.9	Confident	144 Å²	144	85.5 Å²	85.5	67%	0.673	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	15.9	-172.7	-68	-179.5	33.6	0	0	113.6	D107 R108 A109 T113	D107-Q111 WeakPolarHBondContact O-CG 3.29Å; R108-Q111 PolarHBondContact O-N 3.43Å; A109-Q111 VanDerWaalsContact C-N 3.33Å; Q111-T113 PolarHBondContact O-N 2.87Å
112	V	76.8	Confident	79.5	Confident	77 Å²	77	82.3 Å²	82.3	47%	0.467	47%	0.472	S	S	.	.			trans	-53.8	116.2	179.8	176.8	0	0	0	0	110.6	E116	V112-E116 HydrophobicContact CG1-CB 4.15Å
113	T	78.7	Confident	79.1	Confident	62 Å²	62	86.5 Å²	86.5	38%	0.38	49%	0.488	S	S	.	.			trans	-80	157.1	-179.1	62	0	0	0	0	111.4	Q111 S115 E116 L117	Q111-T113 PolarHBondContact O-N 2.87Å; T113-S115 WeakPolarHBondContact CB-OG 3.29Å; T113-S115 PolarHBondContact O-N 2.88Å; T113-S115 VanDerWaalsContact O-N 3.16Å; T113-S115 PolarHBondContact OG1-OG 2.83Å; T113-E116 WeakPolarHBondContact CB-OE2 3.49Å; T113-E116 WeakPolarHBondContact CG2-OE2 3.28Å; T113-E116 PolarHBondContact N-OE2 2.9Å; T113-E116 PolarHBondContact O-N 2.85Å; T113-E116 WeakPolarHBondContact OG1-CG 3.36Å; T113-E116 PolarHBondContact OG1-N 3.23Å; T113-E116 PolarHBondContact OG1-OE2 3.08Å; T113-L117 PolarHBondContact O-N 3.03Å
114	A	72.3	Confident	78.5	Confident	74 Å²	74	88.5 Å²	88.5	61%	0.612	50%	0.496	S	S	*	.	H	α-helix	trans	-57.9	-29	174.1	0	0	0	0	0	112.9	N118	A114-N118 WeakPolarHBondContact O-CB 3.3Å; A114-N118 VanDerWaalsContact O-CG 3.24Å; A114-N118 PolarHBondContact O-N 2.81Å; A114-N118 PolarHBondContact O-ND2 3.21Å
115	S	78.9	Confident	77.3	Confident	80 Å²	80	91 Å²	91	56%	0.559	50%	0.499	S	S	*	.	H	α-helix	trans	-66.6	-42.8	172.7	27.9	0	0	0	0	113.5	T113 T119	T113-S115 WeakPolarHBondContact CB-OG 3.29Å; T113-S115 PolarHBondContact O-N 2.88Å; T113-S115 VanDerWaalsContact O-N 3.16Å; T113-S115 PolarHBondContact OG1-OG 2.83Å; S115-T119 PolarHBondContact O-N 3.11Å; S115-T119 PolarHBondContact O-OG1 3.29Å
116	E	78.1	Confident	76.5	Confident	90 Å²	90	94.3 Å²	94.3	42%	0.421	51%	0.505	S	S	.	.	H	α-helix	trans	-69.2	-41.9	176.2	-71.2	160.7	126.9	0	0	110.5	V112 T113 N118 T119 I120	V112-E116 HydrophobicContact CG1-CB 4.15Å; T113-E116 WeakPolarHBondContact CB-OE2 3.49Å; T113-E116 WeakPolarHBondContact CG2-OE2 3.28Å; T113-E116 PolarHBondContact N-OE2 2.9Å; T113-E116 PolarHBondContact O-N 2.85Å; T113-E116 WeakPolarHBondContact OG1-CG 3.36Å; T113-E116 PolarHBondContact OG1-N 3.23Å; T113-E116 PolarHBondContact OG1-OE2 3.08Å; E116-N118 PolarHBondContact O-N 3Å; E116-T119 WeakPolarHBondContact O-CA 3.27Å; E116-T119 WeakPolarHBondContact O-CB 3.35Å; E116-T119 PolarHBondContact O-N 2.95Å; E116-T119 VanDerWaalsContact O-N 3.07Å; E116-I120 WeakPolarHBondContact O-CG1 3.38Å; E116-I120 PolarHBondContact O-N 2.96Å
117	L	74.2	Confident	75.5	Confident	90 Å²	90	95.9 Å²	95.9	47%	0.471	52%	0.521	S	S	.	.	H	α-helix	trans	-56.8	-47.4	175.2	-177	63	0	0	0	112.1	T113 T119 I120 I121	T113-L117 PolarHBondContact O-N 3.03Å; L117-T119 VanDerWaalsContact C-N 3.27Å; L117-T119 PolarHBondContact O-N 3.44Å; L117-I120 PolarHBondContact O-N 3.44Å; L117-I121 HydrophobicContact CD1-CD1 4.25Å; L117-I121 HydrophobicContact CG-CD1 3.97Å; L117-I121 WeakPolarHBondContact O-CG1 3.43Å; L117-I121 PolarHBondContact O-N 2.8Å
118	N	76.8	Confident	74.2	Confident	110 Å²	110	98.3 Å²	98.3	59%	0.588	53%	0.53	S	S	*	.	H	α-helix	trans	-61.4	-35.7	175.8	-74.2	-24.9	0	0	0	112.5	A114 E116 G122	A114-N118 WeakPolarHBondContact O-CB 3.3Å; A114-N118 VanDerWaalsContact O-CG 3.24Å; A114-N118 PolarHBondContact O-N 2.81Å; A114-N118 PolarHBondContact O-ND2 3.21Å; E116-N118 PolarHBondContact O-N 3Å; N118-G122 PolarHBondContact O-N 2.95Å
119	T	81.5	Confident	72.9	Confident	82 Å²	82	95 Å²	95	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-65.8	-43.2	175.8	-52.7	0	0	0	0	111.5	S115 E116 L117 G122 Q123	S115-T119 PolarHBondContact O-N 3.11Å; S115-T119 PolarHBondContact O-OG1 3.29Å; E116-T119 WeakPolarHBondContact O-CA 3.27Å; E116-T119 WeakPolarHBondContact O-CB 3.35Å; E116-T119 PolarHBondContact O-N 2.95Å; E116-T119 VanDerWaalsContact O-N 3.07Å; L117-T119 VanDerWaalsContact C-N 3.27Å; L117-T119 PolarHBondContact O-N 3.44Å; T119-G122 PolarHBondContact O-N 2.73Å; T119-Q123 WeakPolarHBondContact O-CG 3.23Å; T119-Q123 PolarHBondContact O-N 3.39Å
120	I	75.9	Confident	71.7	Confident	89 Å²	89	97.5 Å²	97.5	46%	0.456	53%	0.525	S	S	.	.	H	α-helix	trans	-64.7	-46.1	177.8	-65.9	163	0	0	0	110.8	E116 L117 G122 Q123 Q124	E116-I120 WeakPolarHBondContact O-CG1 3.38Å; E116-I120 PolarHBondContact O-N 2.96Å; L117-I120 PolarHBondContact O-N 3.44Å; I120-G122 VanDerWaalsContact C-N 3.32Å; I120-G122 PolarHBondContact O-N 3.37Å; I120-Q123 PolarHBondContact O-N 2.78Å; I120-Q124 PolarHBondContact O-N 2.93Å
121	I	74.3	Confident	70.6	Confident	82 Å²	82	94 Å²	94	42%	0.421	52%	0.521	S	S	.	.	H	α-helix	trans	-59	-44.4	176.7	-67.6	166.3	0	0	0	110.6	L117 Q123 Q124 M125	L117-I121 HydrophobicContact CD1-CD1 4.25Å; L117-I121 HydrophobicContact CG-CD1 3.97Å; L117-I121 WeakPolarHBondContact O-CG1 3.43Å; L117-I121 PolarHBondContact O-N 2.8Å; I121-Q123 PolarHBondContact O-N 3.41Å; I121-Q124 PolarHBondContact O-N 2.94Å; I121-M125 WeakPolarHBondContact O-CG 3.46Å; I121-M125 PolarHBondContact O-N 2.86Å
122	G	75.1	Confident	68.9	Low	41 Å²	41	90.4 Å²	90.4	42%	0.423	52%	0.515	S	S	.	.	H	α-helix	trans	-60.3	-42.3	176.3	0	0	0	0	0	113.3	N118 T119 I120 H126	N118-G122 PolarHBondContact O-N 2.95Å; T119-G122 PolarHBondContact O-N 2.73Å; I120-G122 VanDerWaalsContact C-N 3.32Å; I120-G122 PolarHBondContact O-N 3.37Å; G122-H126 PolarHBondContact O-N 3.26Å
123	Q	76.2	Confident	67.4	Low	131 Å²	131	94.1 Å²	94.1	61%	0.612	53%	0.527	S	S	*	.	H	α-helix	trans	-65.9	-41.1	175.7	-72.5	177.9	4.3	0	0	112.3	T119 I120 I121 H126 A127	T119-Q123 WeakPolarHBondContact O-CG 3.23Å; T119-Q123 PolarHBondContact O-N 3.39Å; I120-Q123 PolarHBondContact O-N 2.78Å; I121-Q123 PolarHBondContact O-N 3.41Å; Q123-H126 PolarHBondContact O-N 2.95Å; Q123-A127 WeakPolarHBondContact O-CB 3.13Å; Q123-A127 PolarHBondContact O-N 3.4Å
124	Q	69.7	Low	65.8	Low	111 Å²	111	94.6 Å²	94.6	52%	0.519	54%	0.537	S	S	.	.	H	α-helix	trans	-66.7	-39.7	179.6	-168.5	172.7	5.1	0	0	112.2	I120 I121 H126 A127 Q128	I120-Q124 PolarHBondContact O-N 2.93Å; I121-Q124 PolarHBondContact O-N 2.94Å; Q124-H126 VanDerWaalsContact C-N 3.35Å; Q124-H126 PolarHBondContact O-N 3.43Å; Q124-A127 PolarHBondContact O-N 3.04Å; Q124-Q128 PolarHBondContact O-N 2.77Å
125	M	60.5	Low	64.7	Low	111 Å²	111	97.1 Å²	97.1	55%	0.547	55%	0.545	S	S	.	.	H	α-helix	trans	-60.8	-42.4	172.5	-69.4	-127.8	73.1	0	0	112.1	I121 Q128 Q129	I121-M125 WeakPolarHBondContact O-CG 3.46Å; I121-M125 PolarHBondContact O-N 2.86Å; M125-Q128 PolarHBondContact O-N 2.78Å; M125-Q129 PolarHBondContact O-N 3.47Å; M125-Q129 VanDerWaalsContact O-N 3.09Å
126	H	66.3	Low	63.1	Low	125 Å²	125	97.1 Å²	97.1	58%	0.579	55%	0.55	S	S	*	*	H	α-helix	trans	-65.6	-40.2	177	-128.5	73.7	0	0	0	112.2	G122 Q123 Q124 Q129 L130	G122-H126 PolarHBondContact O-N 3.26Å; Q123-H126 PolarHBondContact O-N 2.95Å; Q124-H126 VanDerWaalsContact C-N 3.35Å; Q124-H126 PolarHBondContact O-N 3.43Å; H126-Q129 PolarHBondContact O-N 2.95Å; H126-L130 PolarHBondContact O-N 2.76Å; H126-L130 VanDerWaalsContact O-N 3.08Å
127	A	62.3	Low	61.3	Low	60 Å²	60	98.5 Å²	98.5	50%	0.496	56%	0.564	S	S	.	*	H	α-helix	trans	-64.4	-40.1	176.7	0	0	0	0	0	112.5	Q123 Q124 L130 A131	Q123-A127 WeakPolarHBondContact O-CB 3.13Å; Q123-A127 PolarHBondContact O-N 3.4Å; Q124-A127 PolarHBondContact O-N 3.04Å; A127-L130 PolarHBondContact O-N 3.17Å; A127-A131 WeakPolarHBondContact O-CB 3.31Å; A127-A131 PolarHBondContact O-N 2.93Å
128	Q	57.2	Low	59.4	Low	117 Å²	117	97.3 Å²	97.3	55%	0.547	57%	0.574	S	S	.	*	H	α-helix	trans	-69.2	-35.8	175.9	-76.7	-178.5	-50.2	0	0	112.8	Q124 M125 A131 A132	Q124-Q128 PolarHBondContact O-N 2.77Å; M125-Q128 PolarHBondContact O-N 2.78Å; Q128-A131 PolarHBondContact O-N 3.44Å; Q128-A132 WeakPolarHBondContact O-CB 3.41Å; Q128-A132 PolarHBondContact O-N 3.28Å
129	Q	56.6	Low	57.5	Low	121 Å²	121	98 Å²	98	57%	0.565	59%	0.588	S	S	*	*	H	α-helix	trans	-65.5	-38.3	173.8	-76.3	-179.6	-25.6	0	0	112.4	M125 H126 H133	M125-Q129 PolarHBondContact O-N 3.47Å; M125-Q129 VanDerWaalsContact O-N 3.09Å; H126-Q129 PolarHBondContact O-N 2.95Å; Q129-H133 PolarHBondContact O-N 3.5Å
130	L	55.2	Low	55.3	Low	122 Å²	122	98.6 Å²	98.6	64%	0.639	60%	0.601	S	S	*	*	H	α-helix	trans	-67.9	-39.7	173.9	-76.8	161.8	0	0	0	112.4	H126 A127 H133 A134	H126-L130 PolarHBondContact O-N 2.76Å; H126-L130 VanDerWaalsContact O-N 3.08Å; A127-L130 PolarHBondContact O-N 3.17Å; L130-H133 PolarHBondContact O-N 2.9Å; L130-A134 PolarHBondContact O-N 3.46Å
131	A	55.1	Low	53.4	Low	55 Å²	55	103.6 Å²	103.6	46%	0.455	63%	0.625	S	S	.	*	H	α-helix	trans	-64.1	-39	175.6	0	0	0	0	0	112.6	A127 Q128 H133 A134 V135	A127-A131 WeakPolarHBondContact O-CB 3.31Å; A127-A131 PolarHBondContact O-N 2.93Å; Q128-A131 PolarHBondContact O-N 3.44Å; A131-H133 VanDerWaalsContact C-N 3.3Å; A131-H133 PolarHBondContact O-N 2.85Å; A131-A134 PolarHBondContact O-N 3.49Å; A131-V135 PolarHBondContact O-N 3.19Å
132	A	45.2	Very low	51.5	Low	68 Å²	68	103 Å²	103	56%	0.562	64%	0.639	S	S	*	*	H	α-helix	trans	-63.2	-32.7	179	0	0	0	0	0	113.3	Q128	Q128-A132 WeakPolarHBondContact O-CB 3.41Å; Q128-A132 PolarHBondContact O-N 3.28Å
133	H	45.2	Very low	50	Low	156 Å²	156	107.3 Å²	107.3	72%	0.722	66%	0.66	S	S	*	*	H	α-helix	trans	-80.7	-23.9	175	-83.1	-34.7	0	0	0	114.3	Q129 L130 A131	Q129-H133 PolarHBondContact O-N 3.5Å; L130-H133 PolarHBondContact O-N 2.9Å; A131-H133 VanDerWaalsContact C-N 3.3Å; A131-H133 PolarHBondContact O-N 2.85Å
134	A	45.7	Very low	48.3	Very low	71 Å²	71	107.4 Å²	107.4	59%	0.587	67%	0.671	S	S	*	*	H	α-helix	trans	-75.3	-29.2	178	0	0	0	0	0	113.5	L130 A131	L130-A134 PolarHBondContact O-N 3.46Å; A131-A134 PolarHBondContact O-N 3.49Å
135	V	48.4	Very low	46.7	Very low	127 Å²	127	105.4 Å²	105.4	77%	0.77	68%	0.681	S	S	*	*	H	α-helix	trans	-82.9	-18.8	-178.4	-179	0	0	0	0	112.4	A131 T137	A131-V135 PolarHBondContact O-N 3.19Å; V135-T137 VanDerWaalsContact C-N 3.32Å; V135-T137 PolarHBondContact O-N 3.25Å
136	A	45.1	Very low	45.7	Very low	81 Å²	81	108.3 Å²	108.3	67%	0.669	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-2.8	-178	0	0	0	0	0	115
137	T	40.7	Very low	44.2	Very low	118 Å²	118	108.1 Å²	108.1	72%	0.724	71%	0.708	S	S	*	*	S	Bend	trans	-129.9	56.3	-169.7	46.8	0	0	0	0	113	V135	V135-T137 VanDerWaalsContact C-N 3.32Å; V135-T137 PolarHBondContact O-N 3.25Å
138	G	33.8	Very low	43.1	Very low	66 Å²	66	112.6 Å²	112.6	68%	0.68	73%	0.729	S	S	*	*			trans	-160	43.8	-173.7	0	0	0	0	0	117.9
139	S	37.9	Very low	42.1	Very low	124 Å²	124	110.3 Å²	110.3	87%	0.867	74%	0.736	S	S	*	*	S	Bend	trans	-156.5	123.4	168.9	-76.2	0	0	0	0	113.9
140	A	35.5	Very low	41.2	Very low	95 Å²	95	113.2 Å²	113.2	79%	0.785	76%	0.755	S	S	*	*			trans	25.5	103.9	161.1	0	0	0	0	0	119.2
141	M	36	Very low	40.2	Very low	193 Å²	193	111.1 Å²	111.1	95%	0.951	76%	0.763	S	S	*	*				68.3	95.5	77.7	-64.6	-71.6	-86.8	0	0	115.5
142	G	33.8	Very low	39.3	Very low	70 Å²	70	114 Å²	114	72%	0.722	78%	0.777	S	S	*	*			trans	-164.8	139.8	167.8	0	0	0	0	0	110.5
143	P	43.9	Very low	38.9	Very low	132 Å²	132	115.1 Å²	115.1	86%	0.857	78%	0.781	S	S	*	*			trans	-86.4	166.2	-154.9	33.4	-36.8	0	0	0	116.6
144	P	39.8	Very low	38.6	Very low	132 Å²	132	115.6 Å²	115.6	86%	0.857	78%	0.783	S	S	*	*			trans	-106.2	164.3	-149.3	39.8	-36.7	0	0	0	116.9
145	G	36.6	Very low	38.1	Very low	69 Å²	69	117.7 Å²	117.7	71%	0.711	79%	0.793	S	S	*	*			trans	-145.6	109.8	169.1	0	0	0	0	0	114
146	L	39.8	Very low	37.4	Very low	172 Å²	172	114.9 Å²	114.9	90%	0.901	79%	0.79	S	S	*	*			trans	38.5	121.7	163.4	-82.3	78.6	0	0	0	121.9
147	P	35.3	Very low	37	Very low	122 Å²	122	119 Å²	119	79%	0.792	80%	0.8	S	S	*	*			trans	-115.1	156.3	166.3	39.6	-29.8	0	0	0	114.6
148	T	39.4	Very low	36.6	Very low	153 Å²	153	119.2 Å²	119.2	94%	0.939	80%	0.801	S	S	*	*			trans	-156.4	137	162.8	46.1	0	0	0	0	113.7
149	G	35.7	Very low	36.7	Very low	69 Å²	69	122 Å²	122	71%	0.711	81%	0.807	S	S	*	*			trans	106.7	74.2	162.9	0	0	0	0	0	115.8
150	L	37.5	Very low	36.6	Very low	183 Å²	183	121.7 Å²	121.7	96%	0.958	81%	0.805	S	S	*	*				73.7	115.8	78.7	-70.5	171.6	0	0	0	116.3
151	G	33.7	Very low	36.6	Very low	78 Å²	78	122.8 Å²	122.8	80%	0.804	81%	0.807	S	S	*	*			trans	158.9	83.5	162.6	0	0	0	0	0	115.8
152	P	36.7	Very low	36.5	Very low	116 Å²	116	121.2 Å²	121.2	75%	0.753	80%	0.802	S	S	*	*			trans	-113.8	-171	-178.9	41.5	-32.2	0	0	0	114.5
153	S	36.7	Very low	36.7	Very low	91 Å²	91	123.4 Å²	123.4	64%	0.636	80%	0.803	S	S	*	*			trans	83.7	147.3	166.9	82.5	0	0	0	0	117
154	H	38.8	Very low	36.4	Very low	165 Å²	165	122.7 Å²	122.7	76%	0.764	80%	0.799	S	S	*	*			cis	-136.5	141.6	2.5	-77.7	-84.7	0	0	0	108.5
155	S	34.8	Very low	36.1	Very low	116 Å²	116	119.6 Å²	119.6	81%	0.811	79%	0.791	S	S	*	*				74.3	113.9	61.3	-48.7	0	0	0	0	116.3
156	G	33.6	Very low	36.1	Very low	68 Å²	68	124.6 Å²	124.6	70%	0.701	80%	0.8	S	S	*	*			trans	145.2	115.5	142.5	0	0	0	0	0	120.6
157	L	36.2	Very low	35.8	Very low	166 Å²	166	121.8 Å²	121.8	87%	0.869	79%	0.794	S	S	*	*			trans	68.3	143.3	138.6	-48.5	174.6	0	0	0	118.9
158	T	33.8	Very low	35.5	Very low	123 Å²	123	121.9 Å²	121.9	76%	0.755	80%	0.797	S	S	*	*			cis	-164.7	147.7	-4.8	18.1	0	0	0	0	109.7
159	P	35.1	Very low	35.2	Very low	125 Å²	125	119.4 Å²	119.4	81%	0.812	79%	0.793	S	S	*	*			trans	-111	151.7	176.8	38.7	-30.9	0	0	0	114.9
160	S	35.1	Very low	35	Very low	118 Å²	118	121.4 Å²	121.4	83%	0.825	80%	0.796	S	S	*	*			trans	-166.2	157.5	164	53.3	0	0	0	0	114.7
161	S	35.6	Very low	34.6	Very low	117 Å²	117	120.7 Å²	120.7	82%	0.818	79%	0.792	S	S	*	*			trans	77.4	85.4	169.1	62.2	0	0	0	0	121.2
162	L	35.6	Very low	34.3	Very low	160 Å²	160	121.7 Å²	121.7	84%	0.838	79%	0.793	S	S	*	*			trans	-58.1	172.3	138	-91.1	150.2	0	0	0	111.5
163	P	37.9	Very low	34	Very low	116 Å²	116	121.3 Å²	121.3	75%	0.753	80%	0.799	S	S	*	*				-153.8	-154.6	51.3	44.4	-18.4	0	0	0	115.5
164	P	37	Very low	33.7	Very low	118 Å²	118	123.3 Å²	123.3	77%	0.766	81%	0.813	S	S	*	*				-134.8	177.7	-90.7	42.7	-24.9	0	0	0	115.9
165	G	33.1	Very low	33.4	Very low	67 Å²	67	119 Å²	119	69%	0.691	81%	0.813	S	S	*	*			trans	122.5	98.3	145.5	0	0	0	0	0	118.1
166	I	37.6	Very low	33.3	Very low	174 Å²	174	122 Å²	122	89%	0.892	82%	0.819	S	S	*	*				-169.6	142.5	110.1	40.6	-176.7	0	0	0	110.7
167	S	32.7	Very low	33.2	Very low	112 Å²	112	126.2 Å²	126.2	78%	0.783	83%	0.825	S	S	*	*			trans	-67.3	136.9	-173.8	-48.1	0	0	0	0	112.7
168	S	29.7	Very low	33	Very low	124 Å²	124	123.7 Å²	123.7	87%	0.867	82%	0.822	S	S	*	*				65.2	88.9	69.6	-48.2	0	0	0	0	115.4
169	A	32.6	Very low	33.3	Very low	101 Å²	101	125.8 Å²	125.8	84%	0.835	83%	0.827	S	S	*	*			trans	-150	129.5	157.9	0	0	0	0	0	111
170	S	30.9	Very low	33.4	Very low	112 Å²	112	125.8 Å²	125.8	78%	0.783	83%	0.827	S	S	*	*			trans	13.8	113.6	171.2	-149.7	0	0	0	0	119.3
171	L	28.6	Very low	33.3	Very low	167 Å²	167	126.6 Å²	126.6	87%	0.874	82%	0.822	S	S	*	*				58	133.3	65.2	-69	176.7	0	0	0	116.9
172	A	28.2	Very low	33.4	Very low	100 Å²	100	126.3 Å²	126.3	83%	0.826	82%	0.818	S	S	*	*			trans	85.3	83.9	162.2	0	0	0	0	0	120.2
173	A	31.1	Very low	33.3	Very low	107 Å²	107	126.3 Å²	126.3	88%	0.884	82%	0.818	S	S	*	*			trans	-164.5	92.5	138.6	0	0	0	0	0	110.6
174	S	30.1	Very low	32.8	Very low	133 Å²	133	125.6 Å²	125.6	93%	0.93	82%	0.821	S	S	*	*			trans	-88.6	140.7	174.8	-58.7	0	0	0	0	111
175	G	31.4	Very low	32.4	Very low	74 Å²	74	123.7 Å²	123.7	76%	0.763	82%	0.816	S	S	*	*			trans	-161.4	56.1	-172.8	0	0	0	0	0	116
176	L	33	Very low	32.3	Very low	179 Å²	179	129.5 Å²	129.5	94%	0.937	83%	0.825	S	S	*	*			trans	45.1	115.8	154.7	-63.1	171.2	0	0	0	120.8
177	L	31.5	Very low	32	Very low	157 Å²	157	129.8 Å²	129.8	82%	0.822	83%	0.827	S	S	*	*			trans	-103.6	139.3	157.2	-74.7	165	0	0	0	109.8
178	S	32.9	Very low	31.8	Very low	114 Å²	114	130.5 Å²	130.5	80%	0.797	83%	0.832	S	S	*	*			trans	-161.2	109.8	154.7	58	0	0	0	0	112.4
179	L	38.8	Very low	31.7	Very low	166 Å²	166	127.6 Å²	127.6	87%	0.869	82%	0.822	S	S	*	*			trans	-112.3	135.7	155.2	-84.6	96.2	0	0	0	108.7
180	P	37.7	Very low	31.5	Very low	126 Å²	126	133 Å²	133	82%	0.818	83%	0.828	S	S	*	*			trans	-86.8	127.6	167.4	32.9	-29.2	0	0	0	110.8
181	N	33.8	Very low	31.4	Very low	134 Å²	134	132.5 Å²	132.5	72%	0.717	82%	0.822	S	S	*	*			trans	-93.4	148.7	162.7	-170.6	44.3	0	0	0	108.6
182	P	37.2	Very low	31.6	Very low	112 Å²	112	131 Å²	131	73%	0.727	82%	0.819	S	S	*	*				-145.1	116.2	127.8	33.7	-17.4	0	0	0	113.4
183	L	33.1	Very low	31.8	Very low	159 Å²	159	131.9 Å²	131.9	83%	0.832	82%	0.817	S	S	*	*				-172.8	97.1	129.4	-101.3	159.5	0	0	0	109.3
184	A	28.4	Very low	31.6	Very low	101 Å²	101	134.9 Å²	134.9	84%	0.835	82%	0.817	S	S	*	*			trans	-120.1	86.5	172.3	0	0	0	0	0	109.1
185	A	29	Very low	31.7	Very low	79 Å²	79	134 Å²	134	65%	0.653	81%	0.808	S	S	*	*			trans	-154.1	136	166	0	0	0	0	0	109.3
186	Q	30.7	Very low	31.6	Very low	188 Å²	188	136.5 Å²	136.5	88%	0.879	81%	0.811	S	S	*	*			trans	60.6	98.9	175.4	-56.5	177.6	-68.2	0	0	116.2
187	L	31.6	Very low	31.2	Very low	180 Å²	180	134 Å²	134	94%	0.942	81%	0.807	S	S	*	*				-176.6	88.6	110	-93.8	169.1	0	0	0	109.5	G189	L187-G189 PolarHBondContact O-N 2.92Å
188	S	27.4	Very low	31.2	Very low	127 Å²	127	135 Å²	135	89%	0.888	81%	0.812	S	S	*	*			trans	-80.2	111.2	175.7	53.4	0	0	0	0	111.3
189	G	27.2	Very low	30.9	Very low	64 Å²	64	137.7 Å²	137.7	66%	0.66	81%	0.81	S	S	*	*			trans	95.6	113.8	158.7	0	0	0	0	0	116.4	L187	L187-G189 PolarHBondContact O-N 2.92Å
190	F	29.7	Very low	30.5	Very low	215 Å²	215	137.9 Å²	137.9	94%	0.943	81%	0.811	S	S	*	*			trans	-166.8	138.2	131.1	-98.1	-67.1	0	0	0	109.3
191	P	27.5	Very low	29.9	Very low	101 Å²	101	138.9 Å²	138.9	66%	0.656	81%	0.805	S	S	*	*			trans	-101.8	133.4	-178	35	-29.6	0	0	0	114.2
192	T	34.1	Very low	29.8	Very low	135 Å²	135	144.7 Å²	144.7	83%	0.828	82%	0.817	S	S	*	*			trans	63.9	168.3	153.1	66.1	0	0	0	0	118.8
193	P	30.9	Very low	29.2	Very low	119 Å²	119	144.6 Å²	144.6	77%	0.773	82%	0.819	S	S	*	*			cis	-126.4	172.1	-22.7	21.3	1.9	0	0	0	114.4
194	L	27.3	Very low	29.2	Very low	169 Å²	169	144 Å²	144	89%	0.885	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-73.2	145.2	173.3	-68.3	157.3	0	0	0	113.6
195	P	32.2	Very low	29.3	Very low	116 Å²	116	142.5 Å²	142.5	75%	0.753	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-93.2	149.8	158.2	35.1	-30.2	0	0	0	112.3
196	P	29.4	Very low	29.2	Very low	126 Å²	126	144.9 Å²	144.9	82%	0.818	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-86.6	161.8	-173	34.7	-36.7	0	0	0	114.7
197	C	25.8	Very low	29.2	Very low	127 Å²	127	140.6 Å²	140.6	86%	0.858	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-60.2	138.7	178.1	-52	0	0	0	0	113.6
198	L	31.3	Very low	28.9	Very low	176 Å²	176	143.4 Å²	143.4	92%	0.921	82%	0.823	S	S	*	*			trans	-81.9	115.5	159.2	-73.4	173.1	0	0	0	109.6
199	K	25.8	Very low	29.1	Very low	172 Å²	172	143 Å²	143	75%	0.748	82%	0.817	S	S	*	*			trans	-68.7	142.3	155	-74.3	177.7	169.5	-173.6	0	108.3
200	D	30.1	Very low	29.2	Very low	169 Å²	169	144.1 Å²	144.1	90%	0.904	82%	0.82	S	S	*	*			trans	-119.2	122	156.6	-141.2	-18.1	0	0	0	108.4
201	E	26.4	Very low	29.2	Very low	148 Å²	148	139.1 Å²	139.1	69%	0.692	81%	0.811	S	S	*	*			trans	-99.8	130.1	-174.7	-64.5	-154.3	143.6	0	0	110.8
202	R	31.2	Very low	29.6	Very low	256 Å²	256	141.3 Å²	141.3	97%	0.966	82%	0.823	S	S	*	*			trans	-158.8	105.6	152.1	-107.6	154.6	-161.1	-156.8	5	110.8
203	S	24.6	Very low	29.4	Very low	109 Å²	109	141.8 Å²	141.8	76%	0.762	82%	0.82	S	S	*	*			trans	-126	168.4	163.3	76.6	0	0	0	0	109.4
204	V	32.8	Very low	29.5	Very low	147 Å²	147	142.4 Å²	142.4	89%	0.891	82%	0.817	S	S	*	*			trans	72.7	130.2	-178.1	-161.6	0	0	0	0	113.7
205	G	30.1	Very low	29.7	Very low	70 Å²	70	145 Å²	145	72%	0.722	82%	0.815	S	S	*	*			cis	-166.8	170.9	0.4	0	0	0	0	0	113.5
206	S	26.4	Very low	29.7	Very low	128 Å²	128	147.1 Å²	147.1	90%	0.895	82%	0.819	S	S	*	*			trans	-81.8	135.5	-172.2	158.8	0	0	0	0	114.1
207	A	31.2	Very low	29.9	Very low	98 Å²	98	146.6 Å²	146.6	81%	0.81	82%	0.816	S	S	*	*			trans	-162.5	129.2	142.2	0	0	0	0	0	113
208	R	25.2	Very low	30.1	Very low	240 Å²	240	146.6 Å²	146.6	91%	0.906	81%	0.812	S	S	*	*			trans	-91.5	162.3	156.4	-106.6	179.7	176.2	-173.4	-0.9	107.6
209	P	32.8	Very low	30.2	Very low	119 Å²	119	143.7 Å²	143.7	77%	0.773	81%	0.806	S	S	*	*				-157.9	-176.4	54.7	42.9	-20.4	0	0	0	119.1
210	A	28.6	Very low	30.5	Very low	86 Å²	86	139.8 Å²	139.8	71%	0.711	81%	0.806	S	S	*	*			trans	60.8	107.2	143.6	0	0	0	0	0	123.7
211	S	29.2	Very low	30.6	Very low	110 Å²	110	140.3 Å²	140.3	77%	0.769	81%	0.805	S	S	*	*			trans	17.5	132.5	130	58.7	0	0	0	0	123.1
212	V	36.5	Very low	31	Very low	147 Å²	147	136.5 Å²	136.5	89%	0.891	81%	0.805	S	S	*	*				-150.6	146.3	124.2	-166.6	0	0	0	0	109.5
213	D	29	Very low	31.1	Very low	145 Å²	145	130.5 Å²	130.5	78%	0.775	79%	0.792	S	S	*	*			trans	-70.7	155.8	170.1	-71.4	-80.3	0	0	0	114.1
214	D	34	Very low	31.6	Very low	132 Å²	132	132.8 Å²	132.8	71%	0.706	79%	0.789	S	S	*	*				-169.4	128	120.2	-114.5	-21.8	0	0	0	116.5
215	R	31	Very low	31.6	Very low	225 Å²	225	135 Å²	135	85%	0.849	79%	0.786	S	S	*	*			trans	38	122.7	138.8	-65.3	166.2	-158.3	-111.4	-4.2	124.6
216	L	31.5	Very low	31.6	Very low	160 Å²	160	139.4 Å²	139.4	84%	0.838	79%	0.793	S	S	*	*			trans	-37.9	163.6	147.1	-72.6	172.2	0	0	0	116.2
217	P	34	Very low	31.6	Very low	115 Å²	115	140.1 Å²	140.1	75%	0.747	79%	0.792	S	S	*	*				-157.5	159.7	51.7	42.4	-19.5	0	0	0	123.2
218	V	30	Very low	31.6	Very low	127 Å²	127	138.8 Å²	138.8	77%	0.77	79%	0.788	S	S	*	*			trans	36.2	125.5	135.7	-174.6	0	0	0	0	122
219	S	33.6	Very low	31.5	Very low	114 Å²	114	137.5 Å²	137.5	80%	0.797	78%	0.783	S	S	*	*				-172.4	123.2	130	-82.4	0	0	0	0	114.8
220	A	32.7	Very low	31.1	Very low	90 Å²	90	143.7 Å²	143.7	74%	0.744	79%	0.791	S	S	*	*			trans	35.9	153.8	134.1	0	0	0	0	0	122.4
221	M	32.7	Very low	31	Very low	181 Å²	181	147.2 Å²	147.2	89%	0.892	79%	0.792	S	S	*	*			cis	-164.2	146.3	17.1	-160.7	180	-72.3	0	0	113.2
222	G	33.4	Very low	30.7	Very low	68 Å²	68	146.7 Å²	146.7	70%	0.701	79%	0.794	S	S	*	*			trans	70.7	150.9	164.1	0	0	0	0	0	116.9
223	D	33.9	Very low	30.2	Very low	129 Å²	129	145.6 Å²	145.6	69%	0.69	79%	0.792	S	S	*	*			cis	-171	172.6	-5.5	-127.8	-26	0	0	0	106.9
224	K	35.4	Very low	29.9	Very low	158 Å²	158	147 Å²	147	69%	0.687	79%	0.794	S	S	*	*			cis	-155.4	131.8	2.3	-144.2	140.6	-154	149.5	0	109.3
225	K	31.8	Very low	29.7	Very low	192 Å²	192	147 Å²	147	84%	0.835	80%	0.799	S	S	*	*			trans	33.3	116.7	154.4	-57.1	177.1	-178.4	-178.5	0	120.6
226	N	30.6	Very low	29.5	Very low	164 Å²	164	143.5 Å²	143.5	88%	0.877	80%	0.796	S	S	*	*				-157.8	148	92.4	-144.8	-2.6	0	0	0	112.3
227	V	27	Very low	29.6	Very low	142 Å²	142	145.1 Å²	145.1	86%	0.861	80%	0.8	S	S	*	*			trans	-134.5	137.9	-170.7	174.6	0	0	0	0	110.5
228	G	30	Very low	29.5	Very low	70 Å²	70	144.3 Å²	144.3	72%	0.722	80%	0.797	S	S	*	*			trans	162.6	84.2	173.6	0	0	0	0	0	111.4
229	R	24.3	Very low	29.5	Very low	213 Å²	213	149.1 Å²	149.1	80%	0.804	80%	0.801	S	S	*	*				84.5	111	73.2	-169.9	-179.2	-160.4	167.3	9.7	112.6
230	W	23.7	Very low	29.4	Very low	249 Å²	249	151 Å²	151	94%	0.943	80%	0.802	S	S	*	*			trans	-46.1	128.7	164.8	-65.1	78.1	0	0	0	113
231	H	27.4	Very low	29.5	Very low	161 Å²	161	152.3 Å²	152.3	75%	0.745	81%	0.806	S	S	*	*			trans	-153.6	133.1	152.4	-92.6	-74.6	0	0	0	110.4
232	A	23.3	Very low	29.7	Very low	98 Å²	98	149.7 Å²	149.7	81%	0.81	80%	0.802	S	S	*	*			trans	-86.9	138.6	161.3	0	0	0	0	0	109.2
233	C	24.3	Very low	29.5	Very low	125 Å²	125	151.3 Å²	151.3	85%	0.845	80%	0.803	S	S	*	*			trans	-162.1	155.8	140.8	-140.3	0	0	0	0	113.2
234	Q	24.3	Very low	29.7	Very low	174 Å²	174	151.2 Å²	151.2	81%	0.813	81%	0.809	S	S	*	*			trans	-64.3	151	-178.6	-53.6	149.1	6.3	0	0	113.2
235	T	28.4	Very low	29.4	Very low	132 Å²	132	148.6 Å²	148.6	81%	0.81	81%	0.811	S	S	*	*				-157.9	117.5	127.6	-34.2	0	0	0	0	113.8
236	L	27.4	Very low	29.8	Very low	152 Å²	152	146.8 Å²	146.8	80%	0.796	82%	0.816	S	S	*	*			trans	8.3	130.4	152.1	-59.7	157.6	0	0	0	122.6
237	Q	34	Very low	29.6	Very low	194 Å²	194	149.3 Å²	149.3	91%	0.907	81%	0.813	S	S	*	*				165.1	146.7	118.6	-89.4	168.8	54.2	0	0	109.5
238	S	30.3	Very low	29.9	Very low	98 Å²	98	150.1 Å²	150.1	69%	0.685	81%	0.812	S	S	*	*			cis	169.4	109.6	-15.1	169.1	0	0	0	0	106.9
239	R	31.9	Very low	30	Very low	228 Å²	228	151.1 Å²	151.1	86%	0.86	81%	0.808	S	S	*	*			trans	163.2	111.5	135.3	-89.9	170.6	-178.8	-153.8	-1.1	115.8
240	N	31.2	Very low	30.4	Very low	152 Å²	152	152.8 Å²	152.8	81%	0.813	81%	0.814	S	S	*	*			trans	42.1	116.6	136.6	-57.9	3.1	0	0	0	122.2
241	S	34	Very low	30.6	Very low	118 Å²	118	146.3 Å²	146.3	83%	0.825	81%	0.806	S	S	*	*				-163.6	152.8	102.2	-75.6	0	0	0	0	111.4
242	P	36.3	Very low	31.1	Very low	127 Å²	127	143.8 Å²	143.8	83%	0.825	80%	0.804	S	S	*	*			trans	-108.3	161.8	-156.8	39.1	-32.8	0	0	0	117.7
243	S	30.4	Very low	31.5	Very low	102 Å²	102	146.4 Å²	146.4	71%	0.713	81%	0.805	S	S	*	*			trans	-77.9	175	179.9	-36.5	0	0	0	0	115
244	P	37	Very low	32	Very low	126 Å²	126	146.5 Å²	146.5	82%	0.818	80%	0.804	S	S	*	*				-140.9	136.5	89.3	31.7	-13.9	0	0	0	114.2
245	S	29.9	Very low	32.6	Very low	104 Å²	104	144.8 Å²	144.8	73%	0.727	81%	0.81	S	S	*	*				80.8	97.2	65.4	-59.7	0	0	0	0	115.9
246	V	39.1	Very low	32.7	Very low	153 Å²	153	145.3 Å²	145.3	93%	0.927	80%	0.803	S	S	*	*			trans	-134.5	143.7	147.3	-177	0	0	0	0	108.2
247	R	28.3	Very low	32.9	Very low	217 Å²	217	145.9 Å²	145.9	82%	0.819	80%	0.799	S	S	*	*			trans	-116.7	170.7	-169.1	-71	-177.6	179	-172.7	1.1	112.6
248	L	33.2	Very low	32.8	Very low	160 Å²	160	147 Å²	147	84%	0.838	80%	0.801	S	S	*	*			trans	78.3	145.9	160.2	-59.6	122	0	0	0	116.6
249	S	31.2	Very low	32.7	Very low	91 Å²	91	153.8 Å²	153.8	64%	0.636	81%	0.811	S	S	*	*			cis	-174.6	150.1	-22.4	52.5	0	0	0	0	111.2
250	R	32.1	Very low	32.6	Very low	248 Å²	248	152 Å²	152	94%	0.936	82%	0.815	S	S	*	*			trans	65.3	123.2	158.9	-71.4	-179.9	171.6	-176.7	-3.7	120.3
251	S	28	Very low	32.5	Very low	112 Å²	112	156.3 Å²	156.3	78%	0.783	82%	0.82	S	S	*	*			trans	-85.3	-177	149.5	-3.6	0	0	0	0	110.7
252	P	37.6	Very low	32.7	Very low	108 Å²	108	155.6 Å²	155.6	70%	0.701	81%	0.813	S	S	*	*			cis	-130.8	177.2	-20.1	37.4	-20.4	0	0	0	113.4
253	D	32.1	Very low	32.6	Very low	154 Å²	154	157.1 Å²	157.1	82%	0.824	81%	0.814	S	S	*	*			trans	159.1	139.1	135.3	-85.6	-17	0	0	0	112.6
254	P	35.7	Very low	32.8	Very low	127 Å²	127	158 Å²	158	83%	0.825	82%	0.815	S	S	*	*			trans	-98.5	137.6	172	35.9	-29.4	0	0	0	112.3
255	C	36.6	Very low	32.7	Very low	138 Å²	138	158.7 Å²	158.7	93%	0.932	81%	0.811	S	S	*	*			trans	-113.8	146.3	178.7	-151.4	0	0	0	0	113
256	E	30.8	Very low	33	Very low	142 Å²	142	161 Å²	161	66%	0.664	82%	0.815	S	S	*	*			trans	-87.6	158.1	-172.5	-82.6	-163.2	119.1	0	0	115.2
257	K	30.7	Very low	33	Very low	165 Å²	165	158.1 Å²	158.1	72%	0.717	80%	0.802	S	S	*	*			trans	57.1	115.8	144.8	-69.1	158.9	-175.3	152.2	0	119.2
258	K	32.8	Very low	33.7	Very low	217 Å²	217	154.5 Å²	154.5	94%	0.943	80%	0.799	S	S	*	*				-152	147.3	119.6	-119.7	170.3	-175.6	176.4	0	113.8
259	R	27.8	Very low	34.2	Very low	241 Å²	241	153.2 Å²	153.2	91%	0.909	79%	0.793	S	S	*	*			trans	-78.4	149.8	-179.1	-65.3	167.5	164.3	174.9	-7.2	111.6
260	M	30.8	Very low	34.7	Very low	191 Å²	191	154.3 Å²	154.3	94%	0.941	79%	0.792	S	S	*	*			trans	-161.8	141.6	136.5	-115.9	168.5	152.8	0	0	112.6
261	R	28.9	Very low	35.1	Very low	241 Å²	241	151.5 Å²	151.5	91%	0.909	79%	0.787	S	S	*	*			trans	-162.3	169.8	168.7	-77.4	-163.8	172.6	-159	0.4	105.6
262	P	38	Very low	35.9	Very low	104 Å²	104	150.7 Å²	150.7	68%	0.675	78%	0.781	S	S	*	*				-135.4	163.5	-63.7	39.5	-23.2	0	0	0	112.4
263	D	33.7	Very low	36	Very low	158 Å²	158	152.5 Å²	152.5	85%	0.845	79%	0.785	S	S	*	*			trans	-151.8	122.6	160.7	-76.4	-58.1	0	0	0	108.3
264	V	35.2	Very low	36.4	Very low	122 Å²	122	151.7 Å²	151.7	74%	0.739	78%	0.78	S	S	*	*				87.4	120.6	74.1	-172.9	0	0	0	0	114.5
265	N	34.8	Very low	36.6	Very low	140 Å²	140	152.4 Å²	152.4	75%	0.749	78%	0.777	S	S	*	*			trans	135.9	117.5	162.2	-75.8	2.6	0	0	0	109.4
266	D	34.9	Very low	36.7	Very low	151 Å²	151	152.8 Å²	152.8	81%	0.807	77%	0.769	S	S	*	*				57.4	128.2	81	-78.9	-16.4	0	0	0	112.5
267	S	40.5	Very low	37.1	Very low	93 Å²	93	152.1 Å²	152.1	65%	0.65	78%	0.775	S	S	*	*			cis	-154.4	168.1	23.7	-30.2	0	0	0	0	115.1
268	D	42.2	Very low	37.3	Very low	142 Å²	142	149.9 Å²	149.9	76%	0.759	78%	0.775	S	S	*	*			trans	70.4	110.7	140.6	-52.5	-22.2	0	0	0	125.2
269	D	43.5	Very low	37.6	Very low	132 Å²	132	146.8 Å²	146.8	71%	0.706	77%	0.768	S	S	*	*				88	117.6	122.1	-82.2	-38.4	0	0	0	126.8
270	N	42.5	Very low	38	Very low	115 Å²	115	142.6 Å²	142.6	62%	0.615	76%	0.764	S	S	*	*			trans	65.4	121.5	141.7	-60.6	-48.3	0	0	0	121.6
271	K	40.5	Very low	38.4	Very low	189 Å²	189	138.8 Å²	138.8	82%	0.822	75%	0.754	S	S	*	*				69.2	140.1	68.4	-73.7	179.7	-179.6	169	0	113.3
272	S	44.9	Very low	38.8	Very low	95 Å²	95	134.2 Å²	134.2	66%	0.664	75%	0.752	S	S	*	*			cis	-163.5	141.4	15.7	42	0	0	0	0	109.4
273	N	39.4	Very low	38.5	Very low	146 Å²	146	134.4 Å²	134.4	78%	0.781	76%	0.756	S	S	*	*				74.2	163.6	91	-68.8	8.8	0	0	0	118.7
274	D	40.7	Very low	38.7	Very low	136 Å²	136	132 Å²	132	73%	0.727	75%	0.749	S	S	*	*			trans	88.2	141.6	162.2	-47.9	-31.6	0	0	0	116.9
275	D	38.8	Very low	38.7	Very low	143 Å²	143	131.7 Å²	131.7	77%	0.765	75%	0.747	S	S	*	*			cis	-153.8	175.7	-2.5	-140	-32.5	0	0	0	113.5
276	L	39.1	Very low	38.5	Very low	145 Å²	145	130.1 Å²	130.1	76%	0.759	75%	0.747	S	S	*	*			trans	-82.1	151.7	174.4	-74.3	141	0	0	0	113.5
277	V	38.5	Very low	38.5	Very low	129 Å²	129	128.7 Å²	128.7	78%	0.782	75%	0.749	S	S	*	*			trans	-137.4	137.9	153.3	-176.2	0	0	0	0	109.6
278	V	36	Very low	38	Very low	118 Å²	118	131.5 Å²	131.5	72%	0.715	76%	0.757	S	S	*	*			trans	-119.3	134.3	172.6	174	0	0	0	0	107.1
279	D	39.7	Very low	37.8	Very low	152 Å²	152	134.7 Å²	134.7	81%	0.813	76%	0.764	S	S	*	*			trans	-140.8	140.4	169.8	-92.8	-54	0	0	0	111
280	D	36	Very low	37.1	Very low	152 Å²	152	134.7 Å²	134.7	81%	0.813	77%	0.769	S	S	*	*			trans	-97.6	167.5	-174.9	-99	-53.1	0	0	0	112.7
281	P	39.3	Very low	37.1	Very low	112 Å²	112	134.9 Å²	134.9	73%	0.727	78%	0.777	S	S	*	*			trans	-98.8	152.6	-157.3	37.1	-37.1	0	0	0	116.7
282	V	37.1	Very low	37	Very low	144 Å²	144	131.5 Å²	131.5	87%	0.873	77%	0.774	S	S	*	*			trans	-144.3	133.9	169.4	177.3	0	0	0	0	111.7
283	S	31	Very low	36.4	Very low	108 Å²	108	134.6 Å²	134.6	76%	0.755	78%	0.778	S	S	*	*			trans	-83.6	-172.5	172.9	-40.1	0	0	0	0	111.6
284	P	38.9	Very low	36.1	Very low	108 Å²	108	134.5 Å²	134.5	70%	0.701	78%	0.777	S	S	*	*			cis	-144.3	-157.4	-0.3	39.9	-15.8	0	0	0	115.4
285	T	34.8	Very low	35.7	Very low	116 Å²	116	131.9 Å²	131.9	71%	0.712	78%	0.782	S	S	*	*			trans	73.7	99.4	149.8	46	0	0	0	0	123.5
286	S	30.6	Very low	35.5	Very low	106 Å²	106	132.9 Å²	132.9	74%	0.741	79%	0.786	S	S	*	*				34.1	128.2	122.4	61.7	0	0	0	0	123.5
287	S	33.9	Very low	35.5	Very low	122 Å²	122	132.7 Å²	132.7	85%	0.853	79%	0.79	S	S	*	*				-173.4	155.2	122.9	38.1	0	0	0	0	113.5
288	D	30.1	Very low	35.1	Very low	152 Å²	152	133.4 Å²	133.4	81%	0.813	79%	0.79	S	S	*	*			trans	-81	164.7	-164	-53	-88.6	0	0	0	117.7
289	K	37.8	Very low	35.2	Very low	209 Å²	209	133.7 Å²	133.7	91%	0.909	79%	0.788	S	S	*	*			trans	-168.7	124.2	133.6	-102.9	151.1	-170.6	174.7	0	114
290	T	30.6	Very low	34.8	Very low	132 Å²	132	135 Å²	135	81%	0.81	79%	0.786	S	S	*	*			trans	-87.2	169.9	162.8	52.4	0	0	0	0	110.5
291	P	40.5	Very low	34.6	Very low	119 Å²	119	131.4 Å²	131.4	77%	0.773	79%	0.785	S	S	*	*				-153	-158	96.5	48.9	-29.1	0	0	0	112.6
292	P	39.8	Very low	34.1	Very low	117 Å²	117	131.2 Å²	131.2	76%	0.76	79%	0.786	S	S	*	*				-133.6	176.4	-119.4	31.9	-5.2	0	0	0	118.5
293	E	32.8	Very low	34.1	Very low	161 Å²	161	133.6 Å²	133.6	75%	0.752	79%	0.787	S	S	*	*			trans	28.6	134.9	152.3	-87.1	-174	106.3	0	0	125.9
294	N	31.5	Very low	34	Very low	144 Å²	144	133.3 Å²	133.3	77%	0.77	79%	0.786	S	S	*	*			trans	74.1	122.1	137.7	-63	-20.5	0	0	0	122.1
295	G	33.6	Very low	33.7	Very low	81 Å²	81	137.4 Å²	137.4	84%	0.835	79%	0.793	S	S	*	*			trans	177.6	72	170.9	0	0	0	0	0	114
296	I	34.6	Very low	33.4	Very low	163 Å²	163	141.1 Å²	141.1	84%	0.836	80%	0.799	S	S	*	*			trans	-71	135.9	170.3	-61.2	161.4	0	0	0	109.5
297	V	38.7	Very low	33.6	Very low	141 Å²	141	144.1 Å²	144.1	86%	0.855	80%	0.801	S	S	*	*			trans	-168.8	142	131	-179.4	0	0	0	0	109.7
298	N	30.6	Very low	33.3	Very low	145 Å²	145	149 Å²	149	78%	0.775	80%	0.801	S	S	*	*			trans	-78.3	160.5	173.9	-53.2	-52.7	0	0	0	113.1
299	D	36.6	Very low	33.5	Very low	124 Å²	124	148 Å²	148	66%	0.663	80%	0.795	S	S	*	*				-179.4	173.5	101.2	-149	7.3	0	0	0	113.3
300	K	32.5	Very low	33.4	Very low	179 Å²	179	144.4 Å²	144.4	78%	0.778	79%	0.785	S	S	*	*			trans	-68.8	161.8	-169.5	-40.8	115.7	-167.4	137.1	0	115.3
301	G	32.3	Very low	33.6	Very low	77 Å²	77	148.9 Å²	148.9	79%	0.794	79%	0.788	S	S	*	*			trans	171.7	100.4	156.6	0	0	0	0	0	115.5
302	S	28.4	Very low	33.3	Very low	108 Å²	108	148.3 Å²	148.3	76%	0.755	79%	0.786	S	S	*	*			trans	-71.9	138.7	165.6	171.1	0	0	0	0	110.6
303	H	36.8	Very low	33.1	Very low	193 Å²	193	150.5 Å²	150.5	89%	0.894	79%	0.792	S	S	*	*			trans	-159	138.9	144.4	-89.4	-54	0	0	0	113.1
304	S	27.6	Very low	33	Very low	103 Å²	103	148 Å²	148	72%	0.72	79%	0.792	S	S	*	*			trans	-87.7	146.8	173.3	54.2	0	0	0	0	112.5
305	F	33.6	Very low	33.7	Very low	193 Å²	193	146.1 Å²	146.1	85%	0.846	79%	0.788	S	S	*	*			trans	-154.7	165.7	150.2	-134.4	-96.9	0	0	0	114.1
306	K	28	Very low	33.8	Very low	194 Å²	194	150.3 Å²	150.3	84%	0.843	79%	0.785	S	S	*	*			trans	-151.2	109.5	-162.6	-177.9	-173.9	-172.6	178.5	0	112.1
307	Q	34.7	Very low	33.7	Very low	170 Å²	170	147 Å²	147	79%	0.794	78%	0.776	S	S	*	*			trans	-159.5	136.2	167.7	-106.3	161.4	-39.4	0	0	107.8
308	R	28	Very low	33.5	Very low	225 Å²	225	146.2 Å²	146.2	85%	0.849	77%	0.773	S	S	*	*			cis	88.3	110.7	34.5	-105	-170.3	175.9	-166	1.3	116.3
309	L	34.3	Very low	33.6	Very low	130 Å²	130	145.5 Å²	145.5	68%	0.681	77%	0.774	S	S	*	*			trans	96.9	152.8	142.1	-92	136.1	0	0	0	122.9
310	D	35.9	Very low	33.6	Very low	133 Å²	133	144.5 Å²	144.5	71%	0.711	78%	0.776	S	S	*	*			trans	72.4	149.9	169	-55.2	-37.2	0	0	0	120
311	R	34.5	Very low	33.8	Very low	226 Å²	226	141.3 Å²	141.3	85%	0.853	78%	0.777	S	S	*	*			cis	164	129.1	-37.2	-116.4	-175.8	161.1	-177.5	-6.1	107.3
312	S	35.4	Very low	33.9	Very low	107 Å²	107	144 Å²	144	75%	0.748	78%	0.777	S	S	*	*			trans	140.4	113.1	140	61.7	0	0	0	0	117.8
313	D	34.1	Very low	34.4	Very low	163 Å²	163	144.7 Å²	144.7	87%	0.872	78%	0.783	S	S	*	*				57.3	161.6	127.7	-51	-32.7	0	0	0	125.9
314	S	31.8	Very low	34.4	Very low	110 Å²	110	139.5 Å²	139.5	77%	0.769	78%	0.781	S	S	*	*			trans	-118.9	-148.5	-156.6	-43.2	0	0	0	0	112.8
315	P	45.2	Very low	34.7	Very low	104 Å²	104	138.9 Å²	138.9	68%	0.675	79%	0.791	S	S	*	*			cis	-132.3	-172.5	-49.4	24.6	-0.4	0	0	0	116.1
316	H	35.9	Very low	34.8	Very low	168 Å²	168	134 Å²	134	78%	0.778	80%	0.795	S	S	*	*			trans	103.1	103.4	149	-69.8	-61.7	0	0	0	126.1
317	S	32.9	Very low	35.1	Very low	93 Å²	93	128.9 Å²	128.9	65%	0.65	80%	0.798	S	S	*	*				40.6	135.5	125.6	61.1	0	0	0	0	127.4
318	T	34.1	Very low	35.1	Very low	126 Å²	126	125 Å²	125	77%	0.773	80%	0.803	S	S	*	*				163.4	140.8	109.6	44.2	0	0	0	0	118.9
319	T	33.9	Very low	35.4	Very low	130 Å²	130	118.6 Å²	118.6	80%	0.798	81%	0.807	S	S	*	*			trans	59.6	163.5	147.4	48.6	0	0	0	0	124.2
320	S	35.3	Very low	35.4	Very low	102 Å²	102	116.5 Å²	116.5	71%	0.713	82%	0.817	S	S	*	*			cis	-175.8	178.2	-28.3	63.3	0	0	0	0	114.7
321	S	37	Very low	35.2	Very low	113 Å²	113	113.5 Å²	113.5	79%	0.79	82%	0.817	S	S	*	*			trans	88.6	157.4	159.1	75.9	0	0	0	0	123.8
322	T	34.5	Very low	35.4	Very low	132 Å²	132	112 Å²	112	81%	0.81	82%	0.819	S	S	*	*				-157.9	162.9	-64.8	-19.2	0	0	0	0	115.5
323	S	39.1	Very low	35.3	Very low	124 Å²	124	112.9 Å²	112.9	87%	0.867	82%	0.82	S	S	*	*			trans	83.6	156.4	161.6	74.2	0	0	0	0	119.5
324	G	36.7	Very low	35.5	Very low	83 Å²	83	110.7 Å²	110.7	86%	0.856	82%	0.815	S	S	*	*			cis	145.7	152	-5.9	0	0	0	0	0	113
325	G	34.6	Very low	35.3	Very low	91 Å²	91	112 Å²	112	94%	0.938	81%	0.813	S	S	*	*			cis	164.2	138.4	-9	0	0	0	0	0	114.7
326	G	35.2	Very low	34.8	Very low	89 Å²	89	113.5 Å²	113.5	92%	0.918	82%	0.82	S	S	*	*			trans	140.9	146.2	172.7	0	0	0	0	0	114.8
327	G	33.8	Very low	34.4	Very low	88 Å²	88	114 Å²	114	91%	0.907	82%	0.82	S	S	*	*			cis	151	152.2	-2.2	0	0	0	0	0	110.6
328	G	34.6	Very low	34.3	Very low	88 Å²	88	118 Å²	118	91%	0.907	83%	0.826	S	S	*	*			cis	166.7	144.5	-5.3	0	0	0	0	0	113.1
329	G	34.1	Very low	34.3	Very low	90 Å²	90	120 Å²	120	93%	0.928	83%	0.827	S	S	*	*			trans	134.7	147	177	0	0	0	0	0	114.1
330	G	34	Very low	34	Very low	86 Å²	86	117.5 Å²	117.5	89%	0.887	83%	0.826	S	S	*	*			cis	169.2	146.9	-7.1	0	0	0	0	0	110.7
331	G	33.5	Very low	34	Very low	70 Å²	70	120.4 Å²	120.4	72%	0.722	83%	0.834	S	S	*	*			trans	152.3	87	172.3	0	0	0	0	0	119.7
332	H	36.8	Very low	33.7	Very low	194 Å²	194	124 Å²	124	90%	0.898	84%	0.835	S	S	*	*			trans	45.2	121.1	146	-59.3	-68.6	0	0	0	124.9
333	T	35.2	Very low	33.6	Very low	126 Å²	126	123.4 Å²	123.4	77%	0.773	84%	0.837	S	S	*	*			trans	-74.3	-167.8	161.5	56.7	0	0	0	0	112.8
334	P	37.9	Very low	33.4	Very low	118 Å²	118	122.2 Å²	122.2	77%	0.766	84%	0.835	S	S	*	*			cis	-135.6	178	-7.1	22.4	3.8	0	0	0	117.4
335	N	26.5	Very low	33.1	Very low	136 Å²	136	124.7 Å²	124.7	73%	0.727	83%	0.833	S	S	*	*			trans	-62.4	150.2	170.2	-169.9	1.3	0	0	0	115.3
336	V	34.7	Very low	33.2	Very low	136 Å²	136	125.8 Å²	125.8	82%	0.824	82%	0.824	S	S	*	*			trans	-131.1	132	162.7	176.7	0	0	0	0	110.2
337	K	28.3	Very low	33.1	Very low	179 Å²	179	128.8 Å²	128.8	78%	0.778	82%	0.824	S	S	*	*			trans	-100.1	160.7	173.3	-81.7	179.2	174.2	173.3	0	111.3
338	K	31.5	Very low	32.8	Very low	178 Å²	178	130.4 Å²	130.4	77%	0.774	81%	0.812	S	S	*	*			trans	96	150.1	138.6	-123	-175.6	175.8	-155.5	0	118.3
339	E	32.5	Very low	32.7	Very low	168 Å²	168	137.1 Å²	137.1	79%	0.785	81%	0.811	S	S	*	*			trans	69	126.2	169	-68	155.7	-149.4	0	0	115.3
340	G	28.9	Very low	32.3	Very low	76 Å²	76	141.7 Å²	141.7	78%	0.784	81%	0.806	S	S	*	*			cis	115.8	78	-6.7	0	0	0	0	0	113.6
341	D	34.7	Very low	32.1	Very low	164 Å²	164	143.1 Å²	143.1	88%	0.877	80%	0.802	S	S	*	*			trans	-150.2	160.7	162.8	-135.9	-26.2	0	0	0	113.9
342	K	30.2	Very low	32.2	Very low	187 Å²	187	145.6 Å²	145.6	81%	0.813	80%	0.803	S	S	*	*			trans	-96.9	149.1	-173.5	-62.9	165.1	178.4	168	0	111.8
343	S	33.1	Very low	31.5	Very low	121 Å²	121	142.2 Å²	142.2	85%	0.846	80%	0.796	S	S	*	*			trans	-178.3	138.6	130.2	-86	0	0	0	0	116.2
344	A	35	Very low	31.5	Very low	99 Å²	99	141.9 Å²	141.9	82%	0.818	80%	0.796	S	S	*	*			trans	52.9	108.4	143.9	0	0	0	0	0	122.8
345	T	30.7	Very low	31.1	Very low	135 Å²	135	142.5 Å²	142.5	83%	0.828	80%	0.798	S	S	*	*			trans	-71.8	-179.8	143.7	42.2	0	0	0	0	111.9
346	P	35.9	Very low	31.4	Very low	113 Å²	113	143.9 Å²	143.9	73%	0.734	81%	0.805	S	S	*	*			cis	-129.6	175	-16.6	29.8	-10	0	0	0	114
347	V	34.1	Very low	31.1	Very low	152 Å²	152	143 Å²	143	92%	0.921	81%	0.805	S	S	*	*			trans	-144.6	155	154.2	-113	0	0	0	0	113.5
348	N	26.9	Very low	31.3	Very low	123 Å²	123	138.1 Å²	138.1	66%	0.658	81%	0.805	S	S	*	*			trans	-111.3	139.1	-160.8	163.1	34.6	0	0	0	111.3
349	Y	31.9	Very low	31.3	Very low	228 Å²	228	139.2 Å²	139.2	89%	0.894	81%	0.81	S	S	*	*			trans	-128.1	106.9	163.7	-82.8	-79.5	0	0	0	111.4
350	K	26.9	Very low	31.3	Very low	187 Å²	187	137.9 Å²	137.9	81%	0.813	81%	0.814	S	S	*	*			trans	-113	124.6	159.1	-74.7	-178	176.6	-179.5	0	108.3
351	S	29.2	Very low	31.2	Very low	115 Å²	115	140.8 Å²	140.8	80%	0.804	82%	0.816	S	S	*	*			trans	179.2	142.8	163.4	-173.3	0	0	0	0	109.3
352	V	34.6	Very low	30.9	Very low	123 Å²	123	139.1 Å²	139.1	75%	0.745	81%	0.814	S	S	*	*			cis	-155.8	146.7	-17.2	132	0	0	0	0	106.5
353	T	23.5	Very low	30.7	Very low	122 Å²	122	137.1 Å²	137.1	75%	0.748	81%	0.813	S	S	*	*			trans	-100.8	131.2	169.1	-47.7	0	0	0	0	110	T355	T353-T355 PolarHBondContact O-N 2.96Å
354	P	35.3	Very low	30.5	Very low	120 Å²	120	136.9 Å²	136.9	78%	0.779	81%	0.81	S	S	*	*			trans	-85.3	102	170.8	32.2	-30.4	0	0	0	110.7
355	T	27.9	Very low	30	Very low	130 Å²	130	136.3 Å²	136.3	80%	0.798	80%	0.796	S	S	*	*			trans	-82.7	131.4	162.2	49.4	0	0	0	0	109.8	T353	T353-T355 PolarHBondContact O-N 2.96Å
356	N	33.2	Very low	29.9	Very low	166 Å²	166	136.4 Å²	136.4	89%	0.888	80%	0.797	S	S	*	*			trans	-126.8	120.5	160.5	-161.9	13.5	0	0	0	110.3
357	S	29.1	Very low	29.8	Very low	116 Å²	116	136 Å²	136	81%	0.811	80%	0.803	S	S	*	*			trans	-113.9	109.3	-177.6	56.7	0	0	0	0	109.8
358	G	32.4	Very low	29.4	Very low	77 Å²	77	138.6 Å²	138.6	79%	0.794	80%	0.797	S	S	*	*			trans	-129.3	111.1	176.8	0	0	0	0	0	110.8
359	K	31	Very low	29.7	Very low	202 Å²	202	142.2 Å²	142.2	88%	0.878	81%	0.809	S	S	*	*			trans	-77.3	134.6	175.7	-60.7	168.1	179.3	173.1	0	109.8
360	T	32.3	Very low	29.6	Very low	140 Å²	140	138.1 Å²	138.1	86%	0.859	80%	0.798	S	S	*	*				177.6	127.3	127.4	29.4	0	0	0	0	111.1
361	T	27.8	Very low	30	Very low	136 Å²	136	135 Å²	135	83%	0.834	80%	0.795	S	S	*	*			trans	-80.9	152.3	157.7	44.3	0	0	0	0	109.3
362	P	28.9	Very low	30.3	Very low	129 Å²	129	138.8 Å²	138.8	84%	0.838	80%	0.796	S	S	*	*				-138.8	164.9	112.9	33.5	-19.3	0	0	0	114.9
363	N	24.9	Very low	30.1	Very low	146 Å²	146	138.9 Å²	138.9	78%	0.781	80%	0.803	S	S	*	*			trans	-92	144.7	-171.6	-171.7	25.7	0	0	0	111.8
364	C	28.5	Very low	30.6	Very low	115 Å²	115	136.1 Å²	136.1	78%	0.777	80%	0.799	S	S	*	*			trans	-162.1	91.2	160.8	-163	0	0	0	0	109.5
365	T	26	Very low	30.4	Very low	88 Å²	88	138.1 Å²	138.1	54%	0.54	80%	0.802	S	S	.	*				55.4	118.4	85.8	61	0	0	0	0	118
366	T	28.2	Very low	30.7	Very low	136 Å²	136	139.7 Å²	139.7	83%	0.834	80%	0.804	S	S	*	*			trans	68.8	110.8	144.7	55.3	0	0	0	0	121.6
367	A	32.9	Very low	30.6	Very low	106 Å²	106	137.7 Å²	137.7	88%	0.876	80%	0.798	S	S	*	*				-159.3	115	120.5	0	0	0	0	0	111.8
368	R	26.1	Very low	31.1	Very low	206 Å²	206	136.1 Å²	136.1	78%	0.777	79%	0.785	S	S	*	*			trans	-69.1	152	173.8	-63	169.8	170.8	169.3	-3.1	112.1
369	H	34.3	Very low	31.3	Very low	198 Å²	198	142.3 Å²	142.3	92%	0.917	79%	0.786	S	S	*	*			trans	-141.9	147.3	134.6	-95	-80.9	0	0	0	110.6
370	H	29	Very low	31.3	Very low	142 Å²	142	137.8 Å²	137.8	66%	0.657	78%	0.78	S	S	*	*			trans	-93.4	157.8	-171.7	-64.3	-101.2	0	0	0	110.9
371	T	36	Very low	31.1	Very low	122 Å²	122	137.3 Å²	137.3	75%	0.748	78%	0.776	S	S	*	*				-178	146	75.2	34.3	0	0	0	0	114.3
372	K	34.1	Very low	31.3	Very low	194 Å²	194	138.8 Å²	138.8	84%	0.843	78%	0.779	S	S	*	*			trans	54.1	108.9	150.4	-62.1	174.3	-178.8	179.2	0	118.8
373	S	30.7	Very low	31.3	Very low	125 Å²	125	138.9 Å²	138.9	87%	0.874	78%	0.776	S	S	*	*				96.5	130.2	67.8	-175.8	0	0	0	0	112.3
374	G	33.6	Very low	31.7	Very low	65 Å²	65	139.4 Å²	139.4	67%	0.67	78%	0.778	S	S	*	*			cis	-161	-163.2	11.3	0	0	0	0	0	116.8
375	L	31.7	Very low	31.8	Very low	162 Å²	162	139.5 Å²	139.5	85%	0.848	78%	0.778	S	S	*	*			trans	-55.4	160.9	-163	-72.3	80.7	0	0	0	115.6
376	I	33.3	Very low	31.9	Very low	162 Å²	162	139.4 Å²	139.4	83%	0.831	79%	0.794	S	S	*	*				-152.1	140.8	57.1	-68.8	155.7	0	0	0	114.3
377	T	30.8	Very low	32.2	Very low	125 Å²	125	136.6 Å²	136.6	77%	0.767	79%	0.792	S	S	*	*			trans	-141.9	-177.6	156.3	51.2	0	0	0	0	106.5
378	P	40.5	Very low	32.2	Very low	83 Å²	83	137.8 Å²	137.8	54%	0.539	79%	0.788	S	S	.	*			cis	-125.4	-165.8	-1.8	38.5	-16.8	0	0	0	112.1
379	Y	36.4	Very low	32.5	Very low	207 Å²	207	136 Å²	136	81%	0.812	79%	0.791	S	S	*	*				-168.5	129.6	74.6	-84.6	-85	0	0	0	107.6
380	S	30.5	Very low	32.6	Very low	107 Å²	107	131.8 Å²	131.8	75%	0.748	78%	0.781	S	S	*	*				82.9	123.1	68.9	-66.2	0	0	0	0	115.7
381	T	28.4	Very low	32.7	Very low	129 Å²	129	130.8 Å²	130.8	79%	0.791	79%	0.787	S	S	*	*			trans	-67.3	150.6	177.7	47.2	0	0	0	0	114.9
382	L	33.2	Very low	32.7	Very low	168 Å²	168	133.7 Å²	133.7	88%	0.88	80%	0.797	S	S	*	*			trans	-132.3	136.5	155	-85.3	172.3	0	0	0	111.2
383	V	27.5	Very low	32.5	Very low	130 Å²	130	129.5 Å²	129.5	79%	0.788	79%	0.792	S	S	*	*			trans	-122.3	133.2	173.8	171.3	0	0	0	0	107
384	L	33.8	Very low	32.5	Very low	157 Å²	157	130.1 Å²	130.1	82%	0.822	79%	0.79	S	S	*	*			trans	-153.4	158.2	162.3	-97.1	127	0	0	0	111
385	P	31.1	Very low	32.5	Very low	118 Å²	118	133.9 Å²	133.9	77%	0.766	80%	0.8	S	S	*	*			trans	-98.6	178.7	-155.5	39.6	-36.6	0	0	0	114.7
386	G	28.1	Very low	32.5	Very low	85 Å²	85	129.1 Å²	129.1	88%	0.876	79%	0.791	S	S	*	*			trans	-76.8	162.8	-168.6	0	0	0	0	0	117.5
387	G	34	Very low	32.6	Very low	78 Å²	78	129 Å²	129	80%	0.804	79%	0.792	S	S	*	*			trans	-157.3	157.1	171.6	0	0	0	0	0	108.8
388	V	32.2	Very low	32.7	Very low	130 Å²	130	129.3 Å²	129.3	79%	0.788	79%	0.793	S	S	*	*			trans	-118.1	144.9	-154.3	-123.2	0	0	0	0	114.6
389	M	33	Very low	32.4	Very low	169 Å²	169	132.8 Å²	132.8	83%	0.833	81%	0.807	S	S	*	*			trans	68.4	165.3	154.8	-64.1	-61.3	177.4	0	0	119
390	P	36	Very low	32.4	Very low	110 Å²	110	128.5 Å²	128.5	71%	0.714	81%	0.805	S	S	*	*			cis	-131	179.4	-36.9	33	-14	0	0	0	112.8
391	P	31.8	Very low	32.5	Very low	120 Å²	120	126.5 Å²	126.5	78%	0.779	80%	0.801	S	S	*	*			trans	-92.9	158.5	-173.2	36.6	-35.4	0	0	0	115
392	L	35.3	Very low	32.9	Very low	183 Å²	183	132.2 Å²	132.2	96%	0.958	81%	0.809	S	S	*	*			trans	-136.6	154.7	168.5	-77.2	177.3	0	0	0	112.6
393	S	30.2	Very low	32.9	Very low	106 Å²	106	128.2 Å²	128.2	74%	0.741	80%	0.801	S	S	*	*			trans	-122.6	142.9	-161.5	54.5	0	0	0	0	114.9
394	V	30.8	Very low	33.2	Very low	139 Å²	139	130.1 Å²	130.1	84%	0.842	81%	0.807	S	S	*	*			trans	22.6	114.5	146.6	-172.3	0	0	0	0	120.1
395	T	34.6	Very low	33	Very low	143 Å²	143	127.4 Å²	127.4	88%	0.877	80%	0.801	S	S	*	*			trans	-153.4	154.5	131.5	50	0	0	0	0	106.9
396	G	30.7	Very low	33.3	Very low	63 Å²	63	129.2 Å²	129.2	65%	0.649	80%	0.803	S	S	*	*			cis	132.2	101.6	-2.5	0	0	0	0	0	111.7
397	D	35	Very low	33.6	Very low	160 Å²	160	131.8 Å²	131.8	86%	0.856	80%	0.795	S	S	*	*			trans	175.3	116.1	160.9	-88.6	-27.9	0	0	0	108.1
398	V	34.5	Very low	33.4	Very low	130 Å²	130	136.9 Å²	136.9	79%	0.788	80%	0.798	S	S	*	*				88.1	104	53.1	179.9	0	0	0	0	114.4
399	N	33.8	Very low	33.4	Very low	156 Å²	156	134.2 Å²	134.2	83%	0.834	80%	0.797	S	S	*	*				-170.5	147.3	118.9	-140.4	16.1	0	0	0	112.9
400	P	35.1	Very low	33.1	Very low	118 Å²	118	133.7 Å²	133.7	77%	0.766	80%	0.797	S	S	*	*			trans	-115.5	174.4	-175.4	41.6	-31.2	0	0	0	114.8
401	G	34.4	Very low	33.1	Very low	64 Å²	64	136.5 Å²	136.5	66%	0.66	80%	0.804	S	S	*	*			trans	-173	121.8	170.3	0	0	0	0	0	117
402	Y	36.4	Very low	33.1	Very low	249 Å²	249	135.9 Å²	135.9	98%	0.976	80%	0.803	S	S	*	*			trans	74.2	118.6	162.7	-65.2	-79.5	0	0	0	120.7
403	A	31.7	Very low	33.2	Very low	85 Å²	85	133.4 Å²	133.4	70%	0.702	80%	0.798	S	S	*	*			trans	-121.4	164.5	172.4	0	0	0	0	0	110
404	N	35.6	Very low	33.3	Very low	169 Å²	169	131.7 Å²	131.7	90%	0.904	80%	0.797	S	S	*	*			trans	-154.6	141.6	143.3	-111.9	-16	0	0	0	110.7
405	S	29.4	Very low	33.4	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	80%	0.803	S	S	*	*			trans	-113.3	-173	-174.1	-67.1	0	0	0	0	111.4
406	L	36.3	Very low	33.2	Very low	156 Å²	156	130.1 Å²	130.1	82%	0.817	79%	0.793	S	S	*	*			trans	89.5	142.1	160.4	-49	150.1	0	0	0	114.9
407	I	34.6	Very low	33.1	Very low	139 Å²	139	135 Å²	135	71%	0.713	80%	0.798	S	S	*	*			cis	-164.3	156.8	-18.1	-122.3	176.4	0	0	0	109.5
408	H	30.4	Very low	32.7	Very low	185 Å²	185	137.9 Å²	137.9	86%	0.856	80%	0.799	S	S	*	*			trans	24.1	141.7	162.6	-76.5	-85.8	0	0	0	124.5
409	G	31.3	Very low	32.5	Very low	74 Å²	74	135.4 Å²	135.4	76%	0.763	80%	0.8	S	S	*	*			trans	168	113.1	147.1	0	0	0	0	0	115.7
410	N	27.8	Very low	32.3	Very low	158 Å²	158	139.4 Å²	139.4	85%	0.845	80%	0.803	S	S	*	*			trans	-75.5	151.9	174.3	-81.6	-9	0	0	0	112.8
411	I	36.2	Very low	32	Very low	169 Å²	169	141.6 Å²	141.6	87%	0.867	81%	0.808	S	S	*	*				-179.8	138	119	-88.4	151.9	0	0	0	110.1
412	S	31	Very low	31.8	Very low	107 Å²	107	143.6 Å²	143.6	75%	0.748	81%	0.81	S	S	*	*			trans	-89.5	-170.2	-175.9	-26.2	0	0	0	0	112.8
413	P	37.1	Very low	31.4	Very low	131 Å²	131	141 Å²	141	85%	0.851	81%	0.809	S	S	*	*			cis	-128.6	160.9	-33.2	31.1	-14	0	0	0	112.9
414	G	33.7	Very low	31.3	Very low	71 Å²	71	146 Å²	146	73%	0.732	82%	0.82	S	S	*	*			trans	-171.8	119.8	171.2	0	0	0	0	0	115.4
415	L	31.8	Very low	31.1	Very low	185 Å²	185	141.8 Å²	141.8	97%	0.969	81%	0.808	S	S	*	*			trans	11.5	127.6	165.3	-74.4	73.1	0	0	0	119.7
416	G	30.5	Very low	30.9	Very low	63 Å²	63	143.1 Å²	143.1	65%	0.649	82%	0.817	S	S	*	*			trans	128.8	98.2	137.6	0	0	0	0	0	118.3
417	H	27.9	Very low	30.8	Very low	165 Å²	165	142.2 Å²	142.2	76%	0.764	81%	0.807	S	S	*	*				58.1	125.5	129.6	-70.2	107.2	0	0	0	123
418	Y	27.3	Very low	30.7	Very low	222 Å²	222	140.9 Å²	140.9	87%	0.871	80%	0.802	S	S	*	*			trans	73.3	113.1	151.2	-61.8	-61.1	0	0	0	121.5
419	G	29.2	Very low	31	Very low	78 Å²	78	135.8 Å²	135.8	80%	0.804	79%	0.785	S	S	*	*			trans	152.1	137.6	165	0	0	0	0	0	109.4
420	R	31	Very low	31.5	Very low	240 Å²	240	138.7 Å²	138.7	91%	0.906	78%	0.778	S	S	*	*			cis	-168.4	126.4	-0.3	177.6	-172	-170.3	-169.2	5.3	106.3
421	N	28.2	Very low	32.9	Very low	164 Å²	164	133.7 Å²	133.7	88%	0.877	75%	0.754	S	S	*	*			trans	-131	122	174.3	-130	24	0	0	0	109.7
422	P	30.4	Very low	34.5	Very low	106 Å²	106	126 Å²	126	69%	0.688	71%	0.714	S	S	*	*			trans	-86.9	149.1	179.1	34	-32.4	0	0	0	111.9
423	M	28.8	Very low	36	Very low	194 Å²	194	121.6 Å²	121.6	96%	0.956	68%	0.684	S	S	*	*			trans	65.2	76.2	169.5	-59.1	-172	169.2	0	0	116.9
424	M	29.4	Very low	37.7	Very low	190 Å²	190	120 Å²	120	94%	0.936	66%	0.661	S	S	*	*			trans	-101.2	132.2	143.1	-87.9	-173.7	163.6	0	0	109
425	A	30	Very low	39.3	Very low	80 Å²	80	117.9 Å²	117.9	66%	0.661	63%	0.633	S	S	*	*			trans	-65.2	141.7	160.8	0	0	0	0	0	108.6	F427	A425-F427 PolarHBondContact O-N 2.89Å
426	S	25.6	Very low	40.7	Very low	128 Å²	128	110.7 Å²	110.7	90%	0.895	60%	0.6	S	S	*	*			trans	-69.5	92.8	-178.8	-170.1	0	0	0	0	110.4
427	F	34.3	Very low	41.9	Very low	138 Å²	138	111.2 Å²	111.2	61%	0.605	60%	0.599	S	S	*	*			trans	-76.4	124.3	166.8	-88.5	-90.7	0	0	0	109.3	A425 P429	A425-F427 PolarHBondContact O-N 2.89Å; F427-P429 WeakPolarHBondContact O-CD 3.48Å
428	D	33.5	Very low	43.1	Very low	111 Å²	111	109 Å²	109	59%	0.594	59%	0.592	S	S	*	*			trans	-94.2	109.4	171.6	-151	-2.1	0	0	0	108.3	H430	D428-H430 PolarHBondContact O-N 2.99Å; D428-H430 IonicContact OD1-CD2 2.67Å; D428-H430 PolarHBondContact OD1-CD2 3.16Å; D428-H430 IonicContact OD1-NE2 3.77Å
429	P	36.1	Very low	45	Very low	77 Å²	77	100.9 Å²	100.9	50%	0.5	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.7	18.1	-170.5	31.9	-36.5	0	0	0	114.1	F427	F427-P429 WeakPolarHBondContact O-CD 3.48Å
430	H	41.5	Very low	46.6	Very low	136 Å²	136	102.3 Å²	102.3	63%	0.63	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-0.1	-169.7	-68.8	-49.2	0	0	0	115.5	D428	D428-H430 PolarHBondContact O-N 2.99Å; D428-H430 IonicContact OD1-CD2 2.67Å; D428-H430 PolarHBondContact OD1-CD2 3.16Å; D428-H430 IonicContact OD1-NE2 3.77Å
431	T	57.4	Low	48.6	Very low	53 Å²	53	95.1 Å²	95.1	33%	0.325	54%	0.54	S	S	.	.	S	Bend	trans	-87.6	-0.6	-174.3	52	0	0	0	0	115.6	H679 L680	T431-H679 WeakPolarHBondContact O-CB 3.32Å; T431-H679 PolarHBondContact O-N 2.87Å; T431-H679 PolarHBondContact O-ND1 3.03Å; T431-H679 VanDerWaalsContact O-ND1 3.11Å; T431-L680 HydrophobicContact CG2-CD2 4.1Å; T431-L680 WeakPolarHBondContact OG1-CD2 3.26Å
432	Q	69.5	Low	50.9	Low	6 Å²	6	92.4 Å²	92.4	3%	0.028	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.8	-172.3	-57.5	-174.8	5.1	0	0	110.9	P443 V444 F446 L678 Y713 G714	Q432-P443 WeakPolarHBondContact O-CA 3.43Å; Q432-V444 PolarHBondContact O-N 3.3Å; Q432-F446 HydrophobicContact CB-CZ 4.41Å; Q432-F446 VanDerWaalsContact OE1-CE1 3.23Å; Q432-L678 HydrophobicContact CB-CD2 4.23Å; Q432-L678 HydrophobicContact CG-CD2 4.1Å; Q432-Y713 PolarHBondContact OE1-O 3.29Å; Q432-G714 PolarHBondContact NE2-O 2.93Å; Q432-G714 PolarHBondContact OE1-O 3.3Å
433	A	63.3	Low	53.3	Low	16 Å²	16	91.3 Å²	91.3	13%	0.132	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.8	-175.8	0	0	0	0	0	111.4	M441 Q442 Y676 Q677	A433-M441 HydrophobicContact CB-CE 3.53Å; A433-Q442 CarbonylContact C-O 3.57Å; A433-Q442 WeakPolarHBondContact CA-O 3.2Å; A433-Y676 WeakPolarHBondContact O-CA 3.32Å; A433-Q677 PolarHBondContact N-O 3.26Å; A433-Q677 VanDerWaalsContact N-O 3.13Å; A433-Q677 PolarHBondContact O-N 3.49Å
434	R	73.2	Confident	55.9	Low	98 Å²	98	83 Å²	83	37%	0.37	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.8	165.3	-173.9	179.2	-176.8	-172.9	0.6	108.1	M441 Q442 V444 D674 Y676	R434-M441 WeakPolarHBondContact O-CA 3.4Å; R434-Q442 PolarHBondContact N-O 3.39Å; R434-Q442 PolarHBondContact O-N 3.29Å; R434-V444 HydrophobicContact CB-CG2 4.09Å; R434-D674 IonicContact CZ-OD2 2.86Å; R434-D674 IonicContact NE-OD2 3.44Å; R434-D674 IonicContact NH2-OD1 2.63Å; R434-D674 IonicContact NH2-OD2 3.15Å; R434-D674 PolarHBondContact NH2-OD2 3.11Å; R434-Y676 HydrophobicContact CB-CD1 3.76Å; R434-Y676 HydrophobicContact CB-CE1 3.68Å; R434-Y676 HydrophobicContact CG-CD1 3.97Å; R434-Y676 HydrophobicContact CG-CE1 3.64Å
435	L	67	Low	58.5	Low	25 Å²	25	79.6 Å²	79.6	13%	0.131	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	113.9	160.3	-90.2	156.5	0	0	0	107.4	G439 M441 K675 Q677	L435-G439 WeakPolarHBondContact CD2-O 3.31Å; L435-M441 HydrophobicContact CD1-CE 3.93Å; L435-M441 HydrophobicContact CD1-CG 4.5Å; L435-M441 HydrophobicContact CD2-CG 3.64Å; L435-M441 HydrophobicContact CG-CE 3.92Å; L435-M441 HydrophobicContact CG-CG 3.89Å; L435-M441 HydrophobicContact CG-SD 4.5Å; L435-K675 HydrophobicContact CB-CG 3.83Å; L435-K675 HydrophobicContact CD1-CD 4.48Å; L435-K675 VanDerWaalsContact CD1-CE 3.43Å; L435-K675 HydrophobicContact CD1-CG 4.28Å; L435-K675 PolarHBondContact N-O 2.95Å; L435-K675 PolarHBondContact O-N 3.19Å; L435-Q677 HydrophobicContact CD1-CG 4.26Å
436	A	60.3	Low	61.3	Low	34 Å²	34	79.1 Å²	79.1	28%	0.281	45%	0.45	S	S	.	.			trans	-78.3	167.1	168.5	0	0	0	0	0	110.3	D438 G439 Q440	A436-D438 WeakPolarHBondContact CB-OD1 3.41Å; A436-D438 PolarHBondContact O-N 3.24Å; A436-G439 PolarHBondContact O-N 2.58Å; A436-Q440 PolarHBondContact N-O 3.4Å
437	A	55.8	Low	64.3	Low	75 Å²	75	75.6 Å²	75.6	62%	0.62	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.7	-177	0	0	0	0	0	114.8	G439 P673	A437-G439 VanDerWaalsContact C-N 3.32Å; A437-P673 HydrophobicContact CB-CB 4.09Å; A437-P673 HydrophobicContact CB-CG 3.56Å
438	D	52.4	Low	66.7	Low	118 Å²	118	74.3 Å²	74.3	63%	0.631	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.7	175.3	58.5	9.7	0	0	0	113.6	A436 Q440	A436-D438 WeakPolarHBondContact CB-OD1 3.41Å; A436-D438 PolarHBondContact O-N 3.24Å; D438-Q440 VanDerWaalsContact C-N 3.29Å; D438-Q440 PolarHBondContact O-N 3.43Å; D438-Q440 WeakPolarHBondContact OD1-CB 3.39Å; D438-Q440 PolarHBondContact OD1-N 3.07Å
439	G	67.6	Low	69.4	Low	51 Å²	51	72.3 Å²	72.3	53%	0.526	43%	0.428	S	S	.	.	S	Bend	trans	79.7	3.5	-176.5	0	0	0	0	0	114.4	L435 A436 A437 M441	L435-G439 WeakPolarHBondContact CD2-O 3.31Å; A436-G439 PolarHBondContact O-N 2.58Å; A437-G439 VanDerWaalsContact C-N 3.32Å; G439-M441 PolarHBondContact O-N 2.69Å
440	Q	64.1	Low	71.8	Confident	108 Å²	108	68.8 Å²	68.8	51%	0.505	41%	0.405	S	S	.	.			trans	-78.3	124.1	178.2	-157	179.6	36.8	0	0	110.6	A436 D438 Q442	A436-Q440 PolarHBondContact N-O 3.4Å; D438-Q440 VanDerWaalsContact C-N 3.29Å; D438-Q440 PolarHBondContact O-N 3.43Å; D438-Q440 WeakPolarHBondContact OD1-CB 3.39Å; D438-Q440 PolarHBondContact OD1-N 3.07Å; Q440-Q442 HydrophobicContact CG-CG 4.47Å
441	M	72.2	Confident	74	Confident	90 Å²	90	66.3 Å²	66.3	44%	0.443	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	124.9	170.6	-61	-151.1	80.4	0	0	110.3	A433 R434 L435 G439 Q677	A433-M441 HydrophobicContact CB-CE 3.53Å; R434-M441 WeakPolarHBondContact O-CA 3.4Å; L435-M441 HydrophobicContact CD1-CE 3.93Å; L435-M441 HydrophobicContact CD1-CG 4.5Å; L435-M441 HydrophobicContact CD2-CG 3.64Å; L435-M441 HydrophobicContact CG-CE 3.92Å; L435-M441 HydrophobicContact CG-CG 3.89Å; L435-M441 HydrophobicContact CG-SD 4.5Å; G439-M441 PolarHBondContact O-N 2.69Å; M441-Q677 HydrophobicContact CE-CB 4.27Å; M441-Q677 HydrophobicContact CE-CG 4.45Å
442	Q	76.7	Confident	75.4	Confident	107 Å²	107	70.3 Å²	70.3	50%	0.5	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137	173.7	-63	-172.2	4	0	0	110.8	A433 R434 Q440	A433-Q442 CarbonylContact C-O 3.57Å; A433-Q442 WeakPolarHBondContact CA-O 3.2Å; R434-Q442 PolarHBondContact N-O 3.39Å; R434-Q442 PolarHBondContact O-N 3.29Å; Q440-Q442 HydrophobicContact CG-CG 4.47Å
443	P	81.2	Confident	76.4	Confident	83 Å²	83	71.2 Å²	71.2	54%	0.539	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	139.2	171.9	-24.2	34.3	0	0	0	111.3	Q432 P445	Q432-P443 WeakPolarHBondContact O-CA 3.43Å; P443-P445 VanDerWaalsContact O-CD 3.31Å; P443-P445 WeakPolarHBondContact O-CD 3.49Å
444	V	81.8	Confident	77.8	Confident	19 Å²	19	76 Å²	76	12%	0.115	46%	0.455	C	S	.	.			trans	-81.3	120.7	-174.1	-162.4	0	0	0	0	111.5	Q432 R434 F446 Y676	Q432-V444 PolarHBondContact O-N 3.3Å; R434-V444 HydrophobicContact CB-CG2 4.09Å; V444-F446 HydrophobicContact CB-CD1 4.4Å; V444-F446 HydrophobicContact CB-CE1 4.17Å; V444-F446 PolarHBondContact O-N 3Å; V444-F446 VanDerWaalsContact O-N 3.16Å; V444-Y676 HydrophobicContact CG1-CE1 4.07Å; V444-Y676 HydrophobicContact CG2-CD1 3.8Å; V444-Y676 HydrophobicContact CG2-CE1 3.95Å
445	P	85	Confident	78.7	Confident	118 Å²	118	72.7 Å²	72.7	77%	0.766	45%	0.452	S	S	*	.			trans	-71.9	109	168.8	29.4	-32.5	0	0	0	109.3	P443	P443-P445 VanDerWaalsContact O-CD 3.31Å; P443-P445 WeakPolarHBondContact O-CD 3.49Å
446	F	88.5	Confident	80.1	Confident	71 Å²	71	71.8 Å²	71.8	31%	0.311	45%	0.447	S	S	.	.			trans	-69.7	134.4	-178.4	-62.3	-37.3	0	0	0	112.3	Q432 V444 A450 Y713 A715	Q432-F446 HydrophobicContact CB-CZ 4.41Å; Q432-F446 VanDerWaalsContact OE1-CE1 3.23Å; V444-F446 HydrophobicContact CB-CD1 4.4Å; V444-F446 HydrophobicContact CB-CE1 4.17Å; V444-F446 PolarHBondContact O-N 3Å; V444-F446 VanDerWaalsContact O-N 3.16Å; F446-A450 HydrophobicContact CB-CB 3.7Å; F446-A450 HydrophobicContact CG-CB 4.22Å; F446-Y713 AromaticContact CD1-CD2 3.86Å; F446-Y713 HydrophobicContact CD1-CD2 3.86Å; F446-Y713 HydrophobicContact CD1-CE2 4.3Å; F446-Y713 HydrophobicContact CE1-CD2 4.2Å; F446-A715 HydrophobicContact CD1-CB 3.93Å; F446-A715 HydrophobicContact CD2-CB 4.38Å; F446-A715 HydrophobicContact CE1-CB 3.83Å; F446-A715 HydrophobicContact CE2-CB 4.29Å; F446-A715 HydrophobicContact CG-CB 4.23Å; F446-A715 HydrophobicContact CZ-CB 4.04Å
447	P	87.9	Confident	81.8	Confident	54 Å²	54	70.2 Å²	70.2	35%	0.351	43%	0.434	S	S	.	.			trans	-69.8	163.9	169.5	32.5	-37.4	0	0	0	111.3	D449 A450 Y713	P447-D449 WeakPolarHBondContact CB-OD1 3.43Å; P447-D449 WeakPolarHBondContact CG-OD1 3.28Å; P447-D449 PolarHBondContact O-N 2.93Å; P447-D449 VanDerWaalsContact O-N 3.1Å; P447-A450 HydrophobicContact CG-CB 4.29Å; P447-A450 WeakPolarHBondContact O-CB 3.45Å; P447-A450 PolarHBondContact O-N 2.84Å; P447-Y713 HydrophobicContact CG-CE1 3.88Å; P447-Y713 HydrophobicContact CG-CE2 4.39Å; P447-Y713 VanDerWaalsContact CG-OH 3.28Å; P447-Y713 WeakPolarHBondContact CG-OH 3.44Å
448	A	86.4	Confident	83.6	Confident	110 Å²	110	74.8 Å²	74.8	91%	0.909	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.5	-176.3	0	0	0	0	0	114.3
449	D	89.8	Confident	85.5	Confident	69 Å²	69	73.5 Å²	73.5	37%	0.369	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	11.3	178.3	75.6	-54.2	0	0	0	113.9	P447 L451 I452 R710	P447-D449 WeakPolarHBondContact CB-OD1 3.43Å; P447-D449 WeakPolarHBondContact CG-OD1 3.28Å; P447-D449 PolarHBondContact O-N 2.93Å; P447-D449 VanDerWaalsContact O-N 3.1Å; D449-L451 PolarHBondContact O-N 2.78Å; D449-I452 WeakPolarHBondContact CA-O 3.46Å; D449-R710 PolarHBondContact O-NE 2.64Å; D449-R710 IonicContact OD2-CZ 3.77Å; D449-R710 IonicContact OD2-NH2 2.77Å; D449-R710 PolarHBondContact OD2-NH2 3.45Å
450	A	86.4	Confident	86.9	Confident	3 Å²	3	71.5 Å²	71.5	3%	0.025	41%	0.406	C	S	.	.	S	Bend	trans	-66.1	-36.6	-176.7	0	0	0	0	0	113.9	F446 P447 R710 Y713 A715	F446-A450 HydrophobicContact CB-CB 3.7Å; F446-A450 HydrophobicContact CG-CB 4.22Å; P447-A450 HydrophobicContact CG-CB 4.29Å; P447-A450 WeakPolarHBondContact O-CB 3.45Å; P447-A450 PolarHBondContact O-N 2.84Å; A450-R710 WeakPolarHBondContact O-CB 3.09Å; A450-R710 VanDerWaalsContact O-CD 3.23Å; A450-R710 WeakPolarHBondContact O-CD 3.47Å; A450-R710 WeakPolarHBondContact O-CG 3.12Å; A450-Y713 WeakPolarHBondContact CA-OH 3.06Å; A450-Y713 HydrophobicContact CB-CE2 3.7Å; A450-A715 HydrophobicContact CB-CB 3.91Å
451	L	86.9	Confident	88.4	Confident	85 Å²	85	73 Å²	73	45%	0.445	41%	0.407	S	S	.	.	S	Bend	trans	-117.4	-13.5	-176.1	-61.5	178.3	0	0	0	113.3	D449 A715 S716	D449-L451 PolarHBondContact O-N 2.78Å; L451-A715 HydrophobicContact CD2-CB 3.85Å; L451-S716 VanDerWaalsContact CD2-O 3.23Å; L451-S716 WeakPolarHBondContact CD2-O 3.45Å
452	I	87.9	Confident	89.4	Confident	136 Å²	136	74 Å²	74	70%	0.697	41%	0.411	S	S	*	.	S	Bend	trans	-140.9	124.8	-176.3	-56.5	177.8	0	0	0	108.4	D449	D449-I452 WeakPolarHBondContact CA-O 3.46Å
453	G	90.1	Very high	90.1	Very high	25 Å²	25	72.6 Å²	72.6	26%	0.258	41%	0.406	S	S	.	.	S	Bend	trans	176.2	170	174.6	0	0	0	0	0	113.5	G455 I456	G453-G455 PolarHBondContact O-N 2.77Å; G453-G455 VanDerWaalsContact O-N 3.15Å; G453-I456 WeakPolarHBondContact O-CB 3.38Å; G453-I456 PolarHBondContact O-N 2.99Å
454	P	92.4	Very high	90.5	Very high	116 Å²	116	70 Å²	70	75%	0.753	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	116.8	179.2	-22.9	34.2	0	0	0	111.8	K695	P454-K695 PolarHBondContact O-NZ 3.42Å
455	G	92.9	Very high	91	Very high	30 Å²	30	71.5 Å²	71.5	31%	0.309	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	15	-175.9	0	0	0	0	0	114.7	G453 W696	G453-G455 PolarHBondContact O-N 2.77Å; G453-G455 VanDerWaalsContact O-N 3.15Å; G455-W696 PolarHBondContact O-NE1 2.85Å
456	I	95.5	Very high	91.4	Very high	5 Å²	5	65.9 Å²	65.9	3%	0.026	37%	0.365	C	S	.	.			trans	-99.4	124	168.2	-51.1	-50.8	0	0	0	107.7	G453 K695 I717	G453-I456 WeakPolarHBondContact O-CB 3.38Å; G453-I456 PolarHBondContact O-N 2.99Å; I456-K695 HydrophobicContact CD1-CB 3.8Å; I456-K695 HydrophobicContact CD1-CD 4.23Å; I456-I717 HydrophobicContact CG2-CD1 3.97Å; I456-I717 HydrophobicContact CG2-CG1 4.25Å; I456-I717 HydrophobicContact CG2-CG2 4.14Å
457	P	96	Very high	91.7	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.006	38%	0.378	C	S	.	.			trans	-60.1	149.8	176.6	-25.1	34.8	0	0	0	112.5	W696 I717 F718 V752 F754	P457-W696 HydrophobicContact CG-CD2 3.72Å; P457-W696 VanDerWaalsContact CG-CE2 3.49Å; P457-W696 HydrophobicContact CG-CE3 4.07Å; P457-W696 HydrophobicContact CG-CG 4.26Å; P457-W696 HydrophobicContact CG-CH2 4.08Å; P457-W696 HydrophobicContact CG-CZ2 3.72Å; P457-W696 HydrophobicContact CG-CZ3 4.22Å; P457-I717 HydrophobicContact CB-CG2 4.16Å; P457-I717 WeakPolarHBondContact O-CG2 3.38Å; P457-F718 HydrophobicContact CB-CD1 4.08Å; P457-F718 HydrophobicContact CB-CE1 3.82Å; P457-F718 HydrophobicContact CG-CE1 4.27Å; P457-V752 HydrophobicContact CB-CG1 3.65Å; P457-V752 HydrophobicContact CG-CG1 3.53Å; P457-F754 HydrophobicContact CG-CD1 4.38Å; P457-F754 HydrophobicContact CG-CE1 3.81Å; P457-F754 HydrophobicContact CG-CZ 4.35Å
458	R	93	Very high	92.1	Very high	172 Å²	172	64 Å²	64	65%	0.649	36%	0.362	S	S	*	.	S	Bend	trans	-96	-33.2	166.7	-70.1	-175.4	-74	148.1	-0.6	112.6	I753 F754	R458-I753 PolarHBondContact N-O 3.05Å; R458-F754 VanDerWaalsContact NE-C 3.3Å; R458-F754 PolarHBondContact NE-O 2.82Å; R458-F754 PolarHBondContact NE-OXT 3.31Å; R458-F754 PolarHBondContact NH2-O 3.01Å
459	N	93.7	Very high	92.5	Very high	90 Å²	90	60.9 Å²	60.9	48%	0.481	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	167.8	174.5	-162.5	4.9	0	0	0	110.7	I753	N459-I753 PolarHBondContact N-O 2.94Å; N459-I753 WeakPolarHBondContact O-CB 3.44Å; N459-I753 PolarHBondContact O-N 2.78Å
460	A	95.9	Very high	92.8	Very high	9 Å²	9	61 Å²	61	7%	0.074	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.6	168	0	0	0	0	0	110.8	F718 Y750 E751	A460-F718 HydrophobicContact CB-CD2 4.13Å; A460-F718 HydrophobicContact CB-CE1 4.16Å; A460-F718 HydrophobicContact CB-CE2 3.53Å; A460-F718 HydrophobicContact CB-CZ 3.56Å; A460-Y750 HydrophobicContact CB-CD1 4.03Å; A460-Y750 HydrophobicContact CB-CG 4.4Å; A460-E751 CarbonylContact C-O 3.55Å; A460-E751 WeakPolarHBondContact CA-O 3.47Å
461	R	95.4	Very high	93.3	Very high	140 Å²	140	62.5 Å²	62.5	53%	0.528	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	117.8	178	178.3	170.3	73.4	154.8	0.8	110.2	L463 Y750 E751 I753	R461-L463 HydrophobicContact CG-CD2 4.47Å; R461-L463 PolarHBondContact O-N 3.07Å; R461-Y750 CarbonylContact O-C 3.6Å; R461-Y750 WeakPolarHBondContact O-CA 3.37Å; R461-E751 IonicContact CZ-OE2 3.73Å; R461-E751 PolarHBondContact N-O 2.67Å; R461-E751 IonicContact NE-OE2 3.99Å; R461-E751 PolarHBondContact NE-OE2 2.84Å; R461-E751 IonicContact NH2-OE1 3.18Å; R461-E751 IonicContact NH2-OE2 2.68Å; R461-E751 PolarHBondContact NH2-OE2 3.45Å; R461-E751 PolarHBondContact O-N 2.86Å; R461-I753 HydrophobicContact CB-CD1 4.39Å; R461-I753 HydrophobicContact CB-CG1 4.24Å
462	Q	94	Very high	93.8	Very high	110 Å²	110	58.4 Å²	58.4	51%	0.514	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	124.3	171.2	-175.1	175.3	15.1	0	0	110.4	T748 Y750	Q462-T748 HydrophobicContact CG-CG2 3.61Å; Q462-T748 VanDerWaalsContact NE2-CG2 3.28Å; Q462-Y750 HydrophobicContact CB-CD1 4.07Å; Q462-Y750 HydrophobicContact CB-CE1 3.98Å
463	L	91.2	Very high	94.3	Very high	78 Å²	78	53.2 Å²	53.2	41%	0.408	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-47.1	178.5	-69.6	-171.2	0	0	0	112.8	R461 Y737 L749 E751	R461-L463 HydrophobicContact CG-CD2 4.47Å; R461-L463 PolarHBondContact O-N 3.07Å; L463-Y737 HydrophobicContact CD1-CD1 4.43Å; L463-Y737 HydrophobicContact CD1-CE1 3.88Å; L463-L749 HydrophobicContact CB-CD2 4.4Å; L463-L749 HydrophobicContact CD1-CD2 4.41Å; L463-L749 PolarHBondContact N-O 2.94Å; L463-E751 HydrophobicContact CD1-CB 3.79Å; L463-E751 HydrophobicContact CD2-CB 4.15Å; L463-E751 HydrophobicContact CG-CB 3.81Å
464	S	88.9	Confident	94.7	Very high	29 Å²	29	52.2 Å²	52.2	20%	0.203	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	162.1	-173.7	69.7	0	0	0	0	112.8	L749	S464-L749 PolarHBondContact N-O 3.43Å; S464-L749 PolarHBondContact O-N 3.1Å; S464-L749 WeakPolarHBondContact OG-CB 3.44Å
465	S	92.4	Very high	95	Very high	50 Å²	50	47.2 Å²	47.2	35%	0.35	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	112.4	178.5	163.7	0	0	0	0	108.2	S467 K746 A747	S465-S467 PolarHBondContact O-N 2.95Å; S465-K746 WeakPolarHBondContact OG-CD 3.35Å; S465-A747 CarbonylContact C-O 3.57Å
466	L	94.4	Very high	95.2	Very high	1 Å²	1	46 Å²	46	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	94.8	-176.7	-52.8	177.6	0	0	0	109	H468 V484 T486 W495 V502 K746 A747	L466-H468 VanDerWaalsContact C-N 3.35Å; L466-H468 PolarHBondContact O-N 2.97Å; L466-V484 HydrophobicContact CD1-CB 4.03Å; L466-V484 HydrophobicContact CD1-CG1 3.73Å; L466-T486 HydrophobicContact CD1-CG2 4.37Å; L466-W495 HydrophobicContact CB-CD2 3.97Å; L466-W495 HydrophobicContact CB-CE3 4.23Å; L466-W495 HydrophobicContact CB-CG 4.4Å; L466-W495 HydrophobicContact CB-CH2 4.48Å; L466-W495 HydrophobicContact CB-CZ2 4.25Å; L466-W495 HydrophobicContact CB-CZ3 4.47Å; L466-W495 HydrophobicContact CD1-CB 4.13Å; L466-W495 HydrophobicContact CD1-CD2 4.34Å; L466-W495 HydrophobicContact CD1-CG 3.9Å; L466-W495 HydrophobicContact CD2-CB 4.14Å; L466-W495 HydrophobicContact CD2-CD2 4.06Å; L466-W495 HydrophobicContact CD2-CE3 3.99Å; L466-W495 HydrophobicContact CD2-CG 4.14Å; L466-W495 HydrophobicContact CG-CD2 4.35Å; L466-W495 HydrophobicContact CG-CG 4.37Å; L466-V502 HydrophobicContact CD2-CB 4.25Å; L466-V502 HydrophobicContact CD2-CG1 3.61Å; L466-K746 CarbonylContact O-C 3.57Å; L466-K746 VanDerWaalsContact O-CA 3.28Å; L466-K746 WeakPolarHBondContact O-CA 3.49Å; L466-K746 WeakPolarHBondContact O-CB 3.39Å; L466-A747 HydrophobicContact CB-CB 4.24Å; L466-A747 HydrophobicContact CD1-CB 4.48Å; L466-A747 PolarHBondContact N-O 3.12Å; L466-A747 PolarHBondContact O-N 2.87Å
467	S	94.8	Very high	95.2	Very high	82 Å²	82	46.4 Å²	46.4	57%	0.573	25%	0.247	S	C	*	.			trans	-70.8	82.7	-175.6	-57.8	0	0	0	0	112.2	S465 G469 W495	S465-S467 PolarHBondContact O-N 2.95Å; S467-G469 VanDerWaalsContact C-N 3.28Å; S467-G469 PolarHBondContact O-N 2.9Å; S467-W495 WeakPolarHBondContact O-CH2 3.43Å
468	H	95.6	Very high	95.2	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	25%	0.25	C	S	.	.			trans	-61.2	-37.6	177.2	-169.2	111.4	0	0	0	111.4	L466 E470 V472 T486 G488 K493 W495 R745	L466-H468 VanDerWaalsContact C-N 3.35Å; L466-H468 PolarHBondContact O-N 2.97Å; H468-E470 VanDerWaalsContact C-N 3.28Å; H468-V472 HydrophobicContact CB-CG2 3.58Å; H468-T486 PolarHBondContact CE1-O 2.91Å; H468-T486 PolarHBondContact ND1-O 3.2Å; H468-T486 VanDerWaalsContact ND1-O 3.16Å; H468-T486 PolarHBondContact ND1-OG1 3.31Å; H468-G488 PolarHBondContact CE1-N 2.92Å; H468-K493 PolarHBondContact O-NZ 3.04Å; H468-W495 HydrophobicContact CB-CZ2 4.49Å; H468-R745 PolarHBondContact N-O 3.06Å
469	G	94.5	Very high	95.1	Very high	45 Å²	45	42.5 Å²	42.5	46%	0.464	25%	0.247	S	C	.	.	S	Bend	trans	87	-6.9	-178.8	0	0	0	0	0	114.3	S467 R745	S467-G469 VanDerWaalsContact C-N 3.28Å; S467-G469 PolarHBondContact O-N 2.9Å; G469-R745 PolarHBondContact N-O 3.29Å; G469-R745 WeakPolarHBondContact O-CD 3.33Å
470	E	96.7	Very high	94.9	Very high	71 Å²	71	43.7 Å²	43.7	33%	0.332	26%	0.259	S	S	.	.	S	Bend	trans	-129.5	160.2	168.7	-65.2	-64.6	167.3	0	0	109	H468 V472 K489 R745	H468-E470 VanDerWaalsContact C-N 3.28Å; E470-V472 PolarHBondContact O-N 2.87Å; E470-K489 HydrophobicContact CB-CB 3.95Å; E470-K489 HydrophobicContact CG-CB 3.78Å; E470-R745 CarbonylContact O-C 3.54Å; E470-R745 WeakPolarHBondContact O-CA 3.47Å; E470-R745 WeakPolarHBondContact O-CB 3.4Å
471	V	97.3	Very high	94.7	Very high	35 Å²	35	44.5 Å²	44.5	21%	0.212	26%	0.263	C	S	.	.			trans	-57.5	126.8	179.1	176.4	0	0	0	0	109.7	C473 G488 Y517 L727 R745	V471-C473 PolarHBondContact O-N 3.45Å; V471-G488 WeakPolarHBondContact O-CA 3.42Å; V471-Y517 HydrophobicContact CB-CE1 4Å; V471-L727 HydrophobicContact CG1-CD1 3.29Å; V471-R745 HydrophobicContact CG2-CG 4.12Å
472	V	98.1	Very high	94.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.26	C	S	.	.			trans	-92.9	91.7	-173.8	-175.1	0	0	0	0	110.5	H468 E470 A474 V475 T486 G487 S728 G741 K746 A747	H468-V472 HydrophobicContact CB-CG2 3.58Å; E470-V472 PolarHBondContact O-N 2.87Å; V472-A474 WeakPolarHBondContact CG1-O 3.16Å; V472-V475 HydrophobicContact CG1-CG1 3.6Å; V472-T486 HydrophobicContact CG1-CG2 4.42Å; V472-G487 WeakPolarHBondContact CA-O 3.08Å; V472-S728 PolarHBondContact O-OG 3.39Å; V472-G741 CarbonylContact O-C 3.51Å; V472-K746 WeakPolarHBondContact CG2-O 3.31Å; V472-A747 HydrophobicContact CG1-CB 4.38Å
473	C	97.8	Very high	94.6	Very high	27 Å²	27	40.4 Å²	40.4	18%	0.182	25%	0.245	C	C	.	.			trans	-84.1	-16	-177.8	-65.6	0	0	0	0	113.7	V471 G487 I518 S728	V471-C473 PolarHBondContact O-N 3.45Å; C473-G487 PolarHBondContact N-O 2.7Å; C473-G487 VanDerWaalsContact N-O 3.1Å; C473-I518 WeakPolarHBondContact CB-O 3.44Å; C473-S728 WeakPolarHBondContact O-CB 3.44Å
474	A	98.3	Very high	94.8	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.033	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	141.8	175.2	0	0	0	0	0	111.7	V472 G487 I518	V472-A474 WeakPolarHBondContact CG1-O 3.16Å; A474-G487 PolarHBondContact N-O 3.35Å; A474-G487 PolarHBondContact O-N 2.7Å; A474-I518 HydrophobicContact CB-CG2 4.18Å
475	V	98.2	Very high	95.3	Very high	11 Å²	11	35.7 Å²	35.7	7%	0.067	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147.2	170.1	-64.1	0	0	0	0	110.6	V472 Y485 T486 D730 V739 A747	V472-V475 HydrophobicContact CG1-CG1 3.6Å; V475-Y485 WeakPolarHBondContact CA-O 3.42Å; V475-T486 HydrophobicContact CG1-CG2 4.25Å; V475-D730 HydrophobicContact CG2-CB 4.15Å; V475-V739 HydrophobicContact CB-CG1 3.91Å; V475-V739 HydrophobicContact CG1-CG1 3.95Å; V475-V739 HydrophobicContact CG2-CG1 4.21Å; V475-A747 HydrophobicContact CG1-CB 4.3Å
476	A	97.6	Very high	95.5	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.033	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	149.8	169.7	0	0	0	0	0	110.4	Y485 D730	A476-Y485 PolarHBondContact N-O 2.63Å; A476-Y485 PolarHBondContact O-N 2.99Å; A476-D730 VanDerWaalsContact CA-OD2 3.31Å; A476-D730 WeakPolarHBondContact CA-OD2 3.28Å
477	I	95.9	Very high	95.7	Very high	14 Å²	14	33.3 Å²	33.3	7%	0.072	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.6	174.2	-163.4	161.3	0	0	0	111.5	T481 V484 I497 D730 V739	I477-T481 HydrophobicContact CD1-CG2 3.64Å; I477-T481 HydrophobicContact CG1-CG2 4.11Å; I477-V484 HydrophobicContact CD1-CG2 3.95Å; I477-V484 HydrophobicContact CG1-CG2 4.02Å; I477-I497 HydrophobicContact CD1-CD1 4.46Å; I477-D730 PolarHBondContact N-OD2 2.86Å; I477-V739 HydrophobicContact CD1-CG2 3.95Å
478	S	94.8	Very high	95.8	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.063	17%	0.173	C	C	.	.			trans	-70.2	153.5	176.9	47.8	0	0	0	0	112.8	P480 T481 R482 H483	S478-P480 CarbonylContact C-O 3.54Å; S478-P480 CarbonylContact O-C 3.56Å; S478-P480 PolarHBondContact OG-O 3.4Å; S478-T481 VanDerWaalsContact O-CA 3.31Å; S478-T481 WeakPolarHBondContact O-CA 3.36Å; S478-T481 PolarHBondContact O-N 2.98Å; S478-R482 PolarHBondContact OG-N 3.08Å; S478-H483 PolarHBondContact N-O 2.79Å; S478-H483 WeakPolarHBondContact OG-CA 3.5Å; S478-H483 PolarHBondContact OG-N 3.16Å; S478-H483 PolarHBondContact OG-O 2.85Å
479	S	90.5	Very high	95.8	Very high	82 Å²	82	31.6 Å²	31.6	57%	0.573	18%	0.183	S	C	*	.	S	Bend	trans	-121.5	119.5	166.3	-171.1	0	0	0	0	108
480	P	91	Very high	95.8	Very high	115 Å²	115	29.7 Å²	29.7	75%	0.747	16%	0.163	S	C	*	.	S	Bend	cis	-66.1	152.8	-1.1	30.3	-36.7	0	0	0	113.2	S478 R482	S478-P480 CarbonylContact C-O 3.54Å; S478-P480 CarbonylContact O-C 3.56Å; S478-P480 PolarHBondContact OG-O 3.4Å; P480-R482 PolarHBondContact O-N 2.8Å
481	T	92	Very high	95.8	Very high	26 Å²	26	27.2 Å²	27.2	16%	0.16	15%	0.153	C	C	.	.	S	Bend	trans	-64.2	94.3	-172.9	-45.1	0	0	0	0	112.7	I477 S478 I497 D734 Y737	I477-T481 HydrophobicContact CD1-CG2 3.64Å; I477-T481 HydrophobicContact CG1-CG2 4.11Å; S478-T481 VanDerWaalsContact O-CA 3.31Å; S478-T481 WeakPolarHBondContact O-CA 3.36Å; S478-T481 PolarHBondContact O-N 2.98Å; T481-I497 HydrophobicContact CG2-CD1 3.8Å; T481-D734 PolarHBondContact OG1-OD1 2.88Å; T481-Y737 HydrophobicContact CG2-CD2 3.44Å; T481-Y737 VanDerWaalsContact CG2-CD2 3.44Å; T481-Y737 HydrophobicContact CG2-CE2 3.88Å; T481-Y737 HydrophobicContact CG2-CG 4.18Å
482	R	92.5	Very high	95.8	Very high	123 Å²	123	25.5 Å²	25.5	46%	0.464	14%	0.143	S	C	.	.			trans	-137.7	-43.5	178.9	175	173.9	176.1	-158.7	-7.4	114.3	S478 P480 D496 I497 L498	S478-R482 PolarHBondContact OG-N 3.08Å; P480-R482 PolarHBondContact O-N 2.8Å; R482-D496 IonicContact CZ-OD2 2.87Å; R482-D496 VanDerWaalsContact CZ-OD2 3.27Å; R482-D496 IonicContact NE-OD1 3.91Å; R482-D496 IonicContact NE-OD2 3.87Å; R482-D496 PolarHBondContact NE-OD2 3.02Å; R482-D496 IonicContact NH2-OD2 3.69Å; R482-D496 PolarHBondContact NH2-OD2 3.03Å; R482-D496 WeakPolarHBondContact O-CA 3.45Å; R482-I497 WeakPolarHBondContact O-CG1 3.47Å; R482-I497 PolarHBondContact O-N 2.9Å; R482-L498 HydrophobicContact CB-CD1 4.08Å; R482-L498 HydrophobicContact CB-CG 4.46Å; R482-L498 HydrophobicContact CG-CD1 3.78Å; R482-L498 HydrophobicContact CG-CG 4.15Å
483	H	94.3	Very high	95.7	Very high	41 Å²	41	27.6 Å²	27.6	19%	0.19	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.5	179.3	-58	112.8	0	0	0	111.6	S478 Y485 I494 W495 D496	S478-H483 PolarHBondContact N-O 2.79Å; S478-H483 WeakPolarHBondContact OG-CA 3.5Å; S478-H483 PolarHBondContact OG-N 3.16Å; S478-H483 PolarHBondContact OG-O 2.85Å; H483-Y485 HydrophobicContact CB-CE2 3.82Å; H483-I494 HydrophobicContact CB-CG2 4Å; H483-W495 CarbonylContact C-O 3.56Å; H483-W495 VanDerWaalsContact CA-O 3.23Å; H483-W495 WeakPolarHBondContact CA-O 3.4Å; H483-D496 IonicContact NE2-OD2 3.76Å
484	V	96.3	Very high	95.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.2	166.7	174.7	0	0	0	0	108.5	L466 I477 T486 I494 W495 I497 V739	L466-V484 HydrophobicContact CD1-CB 4.03Å; L466-V484 HydrophobicContact CD1-CG1 3.73Å; I477-V484 HydrophobicContact CD1-CG2 3.95Å; I477-V484 HydrophobicContact CG1-CG2 4.02Å; V484-T486 HydrophobicContact CG1-CG2 4.02Å; V484-I494 WeakPolarHBondContact O-CA 3.06Å; V484-W495 PolarHBondContact N-O 2.91Å; V484-W495 PolarHBondContact O-N 2.84Å; V484-I497 HydrophobicContact CB-CG2 4.27Å; V484-I497 HydrophobicContact CG2-CG2 3.59Å; V484-V739 HydrophobicContact CG1-CB 4.5Å; V484-V739 HydrophobicContact CG1-CG1 3.77Å; V484-V739 HydrophobicContact CG1-CG2 4.01Å; V484-V739 HydrophobicContact CG2-CG2 3.81Å
485	Y	97.5	Very high	95.5	Very high	8 Å²	8	26.5 Å²	26.5	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.4	179.8	-58.7	-104.8	0	0	0	107.2	V475 A476 H483 V492 K493 I494 L523 L530 L544	V475-Y485 WeakPolarHBondContact CA-O 3.42Å; A476-Y485 PolarHBondContact N-O 2.63Å; A476-Y485 PolarHBondContact O-N 2.99Å; H483-Y485 HydrophobicContact CB-CE2 3.82Å; Y485-V492 HydrophobicContact CD1-CG1 4.43Å; Y485-K493 WeakPolarHBondContact CA-O 3.12Å; Y485-I494 HydrophobicContact CD1-CD1 4.09Å; Y485-I494 HydrophobicContact CD1-CG1 3.76Å; Y485-I494 HydrophobicContact CD1-CG2 4.41Å; Y485-I494 HydrophobicContact CE1-CD1 3.66Å; Y485-I494 HydrophobicContact CE1-CG1 3.8Å; Y485-I494 HydrophobicContact CE1-CG2 4.06Å; Y485-L523 HydrophobicContact CD2-CD1 4.03Å; Y485-L523 HydrophobicContact CE1-CD2 4.29Å; Y485-L523 HydrophobicContact CE2-CD1 3.64Å; Y485-L523 HydrophobicContact CE2-CD2 4.2Å; Y485-L523 HydrophobicContact CE2-CG 4.39Å; Y485-L530 HydrophobicContact CD1-CD1 4.22Å; Y485-L530 HydrophobicContact CD1-CD2 3.93Å; Y485-L530 HydrophobicContact CE1-CD2 4.35Å; Y485-L544 HydrophobicContact CE1-CD1 3.79Å; Y485-L544 WeakPolarHBondContact OH-CD1 3.33Å
486	T	98.1	Very high	95.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.9	178.1	66.3	0	0	0	0	109.6	L466 H468 V472 V475 V484 V492 K493 W495 A747	L466-T486 HydrophobicContact CD1-CG2 4.37Å; H468-T486 PolarHBondContact CE1-O 2.91Å; H468-T486 PolarHBondContact ND1-O 3.2Å; H468-T486 VanDerWaalsContact ND1-O 3.16Å; H468-T486 PolarHBondContact ND1-OG1 3.31Å; V472-T486 HydrophobicContact CG1-CG2 4.42Å; V475-T486 HydrophobicContact CG1-CG2 4.25Å; V484-T486 HydrophobicContact CG1-CG2 4.02Å; T486-V492 CarbonylContact O-C 3.16Å; T486-V492 WeakPolarHBondContact O-CA 3.45Å; T486-K493 PolarHBondContact N-O 3.1Å; T486-K493 PolarHBondContact O-N 3.37Å; T486-W495 PolarHBondContact OG1-NE1 3.31Å; T486-A747 HydrophobicContact CG2-CB 3.53Å
487	G	97.8	Very high	94.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.9	176	0	0	0	0	0	110.6	V472 C473 A474	V472-G487 WeakPolarHBondContact CA-O 3.08Å; C473-G487 PolarHBondContact N-O 2.7Å; C473-G487 VanDerWaalsContact N-O 3.1Å; A474-G487 PolarHBondContact N-O 3.35Å; A474-G487 PolarHBondContact O-N 2.7Å
488	G	97	Very high	94.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.			trans	-123.6	-140.5	176.2	0	0	0	0	0	111.2	H468 V471 C491 I518	H468-G488 PolarHBondContact CE1-N 2.92Å; V471-G488 WeakPolarHBondContact O-CA 3.42Å; G488-C491 PolarHBondContact N-O 3.24Å; G488-I518 WeakPolarHBondContact O-CG1 3.43Å; G488-I518 PolarHBondContact O-N 3.39Å
489	K	96.3	Very high	93.6	Very high	49 Å²	49	38.2 Å²	38.2	21%	0.213	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-78.7	121	176.6	-154.6	-179.7	168	-174.5	0	110.2	E470 C491 K514 E515 Y517	E470-K489 HydrophobicContact CB-CB 3.95Å; E470-K489 HydrophobicContact CG-CB 3.78Å; K489-C491 PolarHBondContact O-N 2.87Å; K489-C491 PolarHBondContact O-SG 2.92Å; K489-C491 VanDerWaalsContact O-SG 3.39Å; K489-K514 VanDerWaalsContact CE-O 3.24Å; K489-K514 WeakPolarHBondContact CE-O 3.39Å; K489-K514 WeakPolarHBondContact CG-O 3.44Å; K489-E515 VanDerWaalsContact CE-CA 3.49Å; K489-E515 WeakPolarHBondContact CE-O 3.31Å; K489-E515 VanDerWaalsContact CE-OE2 3.27Å; K489-E515 WeakPolarHBondContact CE-OE2 3.31Å; K489-E515 IonicContact NZ-OE1 3.91Å; K489-E515 IonicContact NZ-OE2 3.88Å; K489-E515 PolarHBondContact NZ-OE2 2.83Å; K489-Y517 HydrophobicContact CB-CD1 4.05Å; K489-Y517 HydrophobicContact CB-CE1 3.78Å; K489-Y517 HydrophobicContact CD-CE1 4.37Å; K489-Y517 HydrophobicContact CG-CD1 4.27Å; K489-Y517 HydrophobicContact CG-CE1 3.97Å; K489-Y517 HydrophobicContact CG-CE2 4.45Å
490	G	94.1	Very high	92.4	Very high	5 Å²	5	39.3 Å²	39.3	5%	0.052	21%	0.214	C	C	.	.	S	Bend	trans	65.3	-18.4	179.7	0	0	0	0	0	117.4	C511 L512 Q513 S516	G490-C511 PolarHBondContact O-N 2.89Å; G490-L512 PolarHBondContact O-N 3.31Å; G490-L512 VanDerWaalsContact O-N 3.08Å; G490-Q513 WeakPolarHBondContact CA-O 3.48Å; G490-S516 PolarHBondContact N-O 3Å
491	C	95.9	Very high	91.5	Very high	18 Å²	18	37 Å²	37	12%	0.122	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	156.6	-167.2	66.8	0	0	0	0	115.5	G488 K489 L509	G488-C491 PolarHBondContact N-O 3.24Å; K489-C491 PolarHBondContact O-N 2.87Å; K489-C491 PolarHBondContact O-SG 2.92Å; K489-C491 VanDerWaalsContact O-SG 3.39Å; C491-L509 CarbonylContact C-O 3.58Å; C491-L509 WeakPolarHBondContact CA-O 3.34Å; C491-L509 WeakPolarHBondContact CB-O 3.36Å
492	V	97.6	Very high	90.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.8	168.7	179.8	0	0	0	0	109.4	Y485 T486 L509 I518 L530 V532	Y485-V492 HydrophobicContact CD1-CG1 4.43Å; T486-V492 CarbonylContact O-C 3.16Å; T486-V492 WeakPolarHBondContact O-CA 3.45Å; V492-L509 HydrophobicContact CB-CB 4.35Å; V492-L509 HydrophobicContact CB-CD1 4.44Å; V492-L509 PolarHBondContact N-O 3.39Å; V492-L509 PolarHBondContact O-N 2.78Å; V492-I518 HydrophobicContact CG2-CG1 4.11Å; V492-I518 HydrophobicContact CG2-CG2 4.13Å; V492-L530 HydrophobicContact CG1-CD2 4.25Å; V492-V532 HydrophobicContact CG2-CG1 3.78Å; V492-V532 HydrophobicContact CG2-CG2 4.09Å
493	K	96.6	Very high	89.8	Confident	43 Å²	43	39.3 Å²	39.3	19%	0.187	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.9	178	-69	179.1	-173.3	-178.8	0	110.5	H468 Y485 T486 W495 P505	H468-K493 PolarHBondContact O-NZ 3.04Å; Y485-K493 WeakPolarHBondContact CA-O 3.12Å; T486-K493 PolarHBondContact N-O 3.1Å; T486-K493 PolarHBondContact O-N 3.37Å; K493-W495 HydrophobicContact CB-CZ2 3.94Å; K493-W495 HydrophobicContact CD-CZ2 4.16Å; K493-W495 VanDerWaalsContact O-CD1 3.28Å; K493-W495 PolarHBondContact O-NE1 2.73Å; K493-P505 HydrophobicContact CB-CB 3.98Å; K493-P505 HydrophobicContact CD-CG 4.28Å; K493-P505 HydrophobicContact CG-CB 4.4Å; K493-P505 HydrophobicContact CG-CG 4.48Å
494	I	95.8	Very high	89.6	Confident	7 Å²	7	42.5 Å²	42.5	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.9	-179.5	-50.3	-176.7	0	0	0	109.1	H483 V484 Y485 P505 V506 H507 L509 L544 P548	H483-I494 HydrophobicContact CB-CG2 4Å; V484-I494 WeakPolarHBondContact O-CA 3.06Å; Y485-I494 HydrophobicContact CD1-CD1 4.09Å; Y485-I494 HydrophobicContact CD1-CG1 3.76Å; Y485-I494 HydrophobicContact CD1-CG2 4.41Å; Y485-I494 HydrophobicContact CE1-CD1 3.66Å; Y485-I494 HydrophobicContact CE1-CG1 3.8Å; Y485-I494 HydrophobicContact CE1-CG2 4.06Å; I494-P505 CarbonylContact O-C 3.53Å; I494-P505 VanDerWaalsContact O-CA 3.27Å; I494-P505 WeakPolarHBondContact O-CA 3.31Å; I494-P505 WeakPolarHBondContact O-CB 3.3Å; I494-V506 PolarHBondContact O-N 2.87Å; I494-H507 HydrophobicContact CB-CB 4.33Å; I494-H507 HydrophobicContact CD1-CB 4.1Å; I494-H507 HydrophobicContact CG1-CB 4.34Å; I494-H507 PolarHBondContact N-O 3.21Å; I494-L509 HydrophobicContact CD1-CD1 4.2Å; I494-L509 HydrophobicContact CD1-CD2 4.21Å; I494-L509 HydrophobicContact CD1-CG 4.3Å; I494-L544 HydrophobicContact CD1-CD2 4.32Å; I494-P548 HydrophobicContact CD1-CG 4.23Å
495	W	95.3	Very high	89.4	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.4	-175.6	-47.6	82.2	0	0	0	109.6	L466 S467 H468 H483 V484 T486 K493 I497 V502 P505	L466-W495 HydrophobicContact CB-CD2 3.97Å; L466-W495 HydrophobicContact CB-CE3 4.23Å; L466-W495 HydrophobicContact CB-CG 4.4Å; L466-W495 HydrophobicContact CB-CH2 4.48Å; L466-W495 HydrophobicContact CB-CZ2 4.25Å; L466-W495 HydrophobicContact CB-CZ3 4.47Å; L466-W495 HydrophobicContact CD1-CB 4.13Å; L466-W495 HydrophobicContact CD1-CD2 4.34Å; L466-W495 HydrophobicContact CD1-CG 3.9Å; L466-W495 HydrophobicContact CD2-CB 4.14Å; L466-W495 HydrophobicContact CD2-CD2 4.06Å; L466-W495 HydrophobicContact CD2-CE3 3.99Å; L466-W495 HydrophobicContact CD2-CG 4.14Å; L466-W495 HydrophobicContact CG-CD2 4.35Å; L466-W495 HydrophobicContact CG-CG 4.37Å; S467-W495 WeakPolarHBondContact O-CH2 3.43Å; H468-W495 HydrophobicContact CB-CZ2 4.49Å; H483-W495 CarbonylContact C-O 3.56Å; H483-W495 VanDerWaalsContact CA-O 3.23Å; H483-W495 WeakPolarHBondContact CA-O 3.4Å; V484-W495 PolarHBondContact N-O 2.91Å; V484-W495 PolarHBondContact O-N 2.84Å; T486-W495 PolarHBondContact OG1-NE1 3.31Å; K493-W495 HydrophobicContact CB-CZ2 3.94Å; K493-W495 HydrophobicContact CD-CZ2 4.16Å; K493-W495 VanDerWaalsContact O-CD1 3.28Å; K493-W495 PolarHBondContact O-NE1 2.73Å; W495-I497 PolarHBondContact O-N 2.59Å; W495-V502 HydrophobicContact CB-CG1 4.23Å; W495-V502 HydrophobicContact CE3-CG1 3.99Å; W495-P505 HydrophobicContact CD2-CB 4.14Å; W495-P505 HydrophobicContact CE3-CB 4.13Å; W495-P505 HydrophobicContact CH2-CB 4.25Å; W495-P505 HydrophobicContact CH2-CG 4.36Å; W495-P505 HydrophobicContact CZ2-CB 4.24Å; W495-P505 HydrophobicContact CZ3-CB 4.2Å; W495-P505 HydrophobicContact CZ3-CG 4.48Å
496	D	93.3	Very high	89.2	Confident	18 Å²	18	47.1 Å²	47.1	10%	0.096	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	113.1	171.5	-169.8	-32.7	0	0	0	109	R482 H483 L498 V502 V506	R482-D496 IonicContact CZ-OD2 2.87Å; R482-D496 VanDerWaalsContact CZ-OD2 3.27Å; R482-D496 IonicContact NE-OD1 3.91Å; R482-D496 IonicContact NE-OD2 3.87Å; R482-D496 PolarHBondContact NE-OD2 3.02Å; R482-D496 IonicContact NH2-OD2 3.69Å; R482-D496 PolarHBondContact NH2-OD2 3.03Å; R482-D496 WeakPolarHBondContact O-CA 3.45Å; H483-D496 IonicContact NE2-OD2 3.76Å; D496-L498 VanDerWaalsContact C-N 3.35Å; D496-L498 WeakPolarHBondContact OD1-CB 3.4Å; D496-L498 PolarHBondContact OD1-N 3.49Å; D496-V502 WeakPolarHBondContact O-CG2 3.35Å; D496-V506 HydrophobicContact CB-CG2 3.84Å
497	I	90	Very high	88.9	Confident	27 Å²	27	50.7 Å²	50.7	14%	0.138	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-8.4	-176.6	56.7	156.8	0	0	0	113.6	I477 T481 R482 V484 W495 L749	I477-I497 HydrophobicContact CD1-CD1 4.46Å; T481-I497 HydrophobicContact CG2-CD1 3.8Å; R482-I497 WeakPolarHBondContact O-CG1 3.47Å; R482-I497 PolarHBondContact O-N 2.9Å; V484-I497 HydrophobicContact CB-CG2 4.27Å; V484-I497 HydrophobicContact CG2-CG2 3.59Å; W495-I497 PolarHBondContact O-N 2.59Å; I497-L749 HydrophobicContact CB-CD2 4.07Å; I497-L749 HydrophobicContact CD1-CD2 4.3Å; I497-L749 HydrophobicContact CG2-CD2 3.83Å
498	L	84.9	Confident	88.7	Confident	117 Å²	117	53.9 Å²	53.9	61%	0.613	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-16.2	174.2	-55.4	-178.6	0	0	0	111.9	R482 D496 A500	R482-L498 HydrophobicContact CB-CD1 4.08Å; R482-L498 HydrophobicContact CB-CG 4.46Å; R482-L498 HydrophobicContact CG-CD1 3.78Å; R482-L498 HydrophobicContact CG-CG 4.15Å; D496-L498 VanDerWaalsContact C-N 3.35Å; D496-L498 WeakPolarHBondContact OD1-CB 3.4Å; D496-L498 PolarHBondContact OD1-N 3.49Å; L498-A500 PolarHBondContact O-N 2.77Å
499	Q	79.3	Confident	88.6	Confident	122 Å²	122	54 Å²	54	57%	0.57	32%	0.315	S	S	*	.	S	Bend	trans	-78.5	117.4	176.4	-168.4	172.2	45	0	0	110.9	G501 V502	Q499-G501 PolarHBondContact O-N 2.85Å; Q499-V502 WeakPolarHBondContact O-CG2 3.36Å; Q499-V502 PolarHBondContact O-N 2.71Å
500	A	64.8	Low	88.5	Confident	104 Å²	104	57.7 Å²	57.7	86%	0.86	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	125.3	177.1	0	0	0	0	0	111.4	L498	L498-A500 PolarHBondContact O-N 2.77Å
501	G	71.9	Confident	88.3	Confident	66 Å²	66	58 Å²	58	68%	0.68	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	30.7	177.8	0	0	0	0	0	115.7	Q499 K503	Q499-G501 PolarHBondContact O-N 2.85Å; G501-K503 PolarHBondContact O-N 2.93Å
502	V	72.6	Confident	87.9	Confident	21 Å²	21	58.2 Å²	58.2	13%	0.127	33%	0.334	C	S	.	.			trans	-44.4	107.3	175.4	-165.7	0	0	0	0	112.2	L466 W495 D496 Q499	L466-V502 HydrophobicContact CD2-CB 4.25Å; L466-V502 HydrophobicContact CD2-CG1 3.61Å; W495-V502 HydrophobicContact CB-CG1 4.23Å; W495-V502 HydrophobicContact CE3-CG1 3.99Å; D496-V502 WeakPolarHBondContact O-CG2 3.35Å; Q499-V502 WeakPolarHBondContact O-CG2 3.36Å; Q499-V502 PolarHBondContact O-N 2.71Å
503	K	77.2	Confident	87.4	Confident	178 Å²	178	65.5 Å²	65.5	77%	0.774	37%	0.368	S	S	*	.			trans	-134	-14.7	175.7	-74.4	-177.3	-179.4	-176.8	0	113.6	G501	G501-K503 PolarHBondContact O-N 2.93Å
504	V	88.7	Confident	86.7	Confident	107 Å²	107	70 Å²	70	65%	0.648	39%	0.388	S	S	*	.	S	Bend	trans	-127.5	133.3	-175.2	-174.6	0	0	0	0	107.4
505	P	92.9	Very high	86.4	Confident	40 Å²	40	76.2 Å²	76.2	26%	0.26	42%	0.416	S	S	.	.			trans	-69.1	141.1	172.8	31.1	-35.8	0	0	0	110	K493 I494 W495	K493-P505 HydrophobicContact CB-CB 3.98Å; K493-P505 HydrophobicContact CD-CG 4.28Å; K493-P505 HydrophobicContact CG-CB 4.4Å; K493-P505 HydrophobicContact CG-CG 4.48Å; I494-P505 CarbonylContact O-C 3.53Å; I494-P505 VanDerWaalsContact O-CA 3.27Å; I494-P505 WeakPolarHBondContact O-CA 3.31Å; I494-P505 WeakPolarHBondContact O-CB 3.3Å; W495-P505 HydrophobicContact CD2-CB 4.14Å; W495-P505 HydrophobicContact CE3-CB 4.13Å; W495-P505 HydrophobicContact CH2-CB 4.25Å; W495-P505 HydrophobicContact CH2-CG 4.36Å; W495-P505 HydrophobicContact CZ2-CB 4.24Å; W495-P505 HydrophobicContact CZ3-CB 4.2Å; W495-P505 HydrophobicContact CZ3-CG 4.48Å
506	V	92.4	Very high	86.3	Confident	66 Å²	66	77 Å²	77	40%	0.4	42%	0.422	S	S	.	.	S	Bend	trans	-66.2	-42.6	176.5	-177.9	0	0	0	0	110.3	I494 D496	I494-V506 PolarHBondContact O-N 2.87Å; D496-V506 HydrophobicContact CB-CG2 3.84Å
507	H	92.9	Very high	86.5	Confident	75 Å²	75	79.1 Å²	79.1	35%	0.347	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152.9	177.3	-64.5	-46.2	0	0	0	110.5	I494 P548	I494-H507 HydrophobicContact CB-CB 4.33Å; I494-H507 HydrophobicContact CD1-CB 4.1Å; I494-H507 HydrophobicContact CG1-CB 4.34Å; I494-H507 PolarHBondContact N-O 3.21Å; H507-P548 HydrophobicContact CB-CG 4.21Å; H507-P548 VanDerWaalsContact CD2-CD 3.48Å; H507-P548 WeakPolarHBondContact CD2-CD 3.46Å
508	S	94.2	Very high	86.9	Confident	66 Å²	66	77.8 Å²	77.8	46%	0.462	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118	172.3	-168.7	0	0	0	0	107.7
509	L	94.8	Very high	87.5	Confident	4 Å²	4	76.3 Å²	76.3	2%	0.021	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.1	-178.7	-46.1	-174.2	0	0	0	107.8	C491 V492 I494 C511 L530 W542 P548	C491-L509 CarbonylContact C-O 3.58Å; C491-L509 WeakPolarHBondContact CA-O 3.34Å; C491-L509 WeakPolarHBondContact CB-O 3.36Å; V492-L509 HydrophobicContact CB-CB 4.35Å; V492-L509 HydrophobicContact CB-CD1 4.44Å; V492-L509 PolarHBondContact N-O 3.39Å; V492-L509 PolarHBondContact O-N 2.78Å; I494-L509 HydrophobicContact CD1-CD1 4.2Å; I494-L509 HydrophobicContact CD1-CD2 4.21Å; I494-L509 HydrophobicContact CD1-CG 4.3Å; L509-C511 PolarHBondContact O-N 3.37Å; L509-C511 PolarHBondContact O-SG 3.21Å; L509-L530 HydrophobicContact CD1-CD2 3.84Å; L509-W542 HydrophobicContact CB-CD2 4.33Å; L509-W542 HydrophobicContact CB-CE3 4.3Å; L509-W542 HydrophobicContact CB-CH2 3.9Å; L509-W542 HydrophobicContact CB-CZ2 3.92Å; L509-W542 HydrophobicContact CB-CZ3 4.1Å; L509-W542 HydrophobicContact CD1-CD2 3.9Å; L509-W542 HydrophobicContact CD1-CE3 4.03Å; L509-W542 HydrophobicContact CD1-CG 4.12Å; L509-W542 HydrophobicContact CD2-CE3 3.93Å; L509-W542 HydrophobicContact CD2-CZ3 3.89Å; L509-W542 HydrophobicContact CG-CE3 4.31Å; L509-W542 HydrophobicContact CG-CZ3 4.41Å; L509-P548 HydrophobicContact CD2-CB 3.31Å; L509-P548 HydrophobicContact CD2-CG 3.91Å
510	E	94.1	Very high	88.4	Confident	125 Å²	125	71.1 Å²	71.1	58%	0.584	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	100.7	169.5	-65.5	-164.3	150.8	0	0	107.7	K514 W542	E510-K514 VanDerWaalsContact OE1-CE 3.31Å; E510-K514 WeakPolarHBondContact OE1-CE 3.37Å; E510-K514 IonicContact OE1-NZ 2.78Å; E510-K514 PolarHBondContact OE1-NZ 3.37Å; E510-K514 IonicContact OE2-NZ 3.82Å; E510-W542 WeakPolarHBondContact O-CZ2 3.31Å
511	C	89	Confident	89.9	Confident	12 Å²	12	66.3 Å²	66.3	8%	0.081	35%	0.346	C	S	.	.			trans	-101.2	-34.7	-170.3	-54.5	0	0	0	0	113.1	G490 L509 I518 V532 T540 W542	G490-C511 PolarHBondContact O-N 2.89Å; L509-C511 PolarHBondContact O-N 3.37Å; L509-C511 PolarHBondContact O-SG 3.21Å; C511-I518 HydrophobicContact CB-CD1 4.08Å; C511-V532 HydrophobicContact CB-CG1 4.13Å; C511-T540 WeakPolarHBondContact O-CG2 3.19Å; C511-W542 HydrophobicContact CB-CZ2 4.43Å; C511-W542 PolarHBondContact SG-NE1 3.08Å
512	L	88.6	Confident	91.2	Very high	22 Å²	22	66.7 Å²	66.7	12%	0.115	33%	0.329	C	S	.	.	S	Bend	trans	-131.9	176.2	-176.8	-64.8	-175	0	0	0	110.3	G490 I518 A536	G490-L512 PolarHBondContact O-N 3.31Å; G490-L512 VanDerWaalsContact O-N 3.08Å; L512-I518 HydrophobicContact CB-CD1 4.28Å; L512-I518 HydrophobicContact CD1-CD1 3.67Å; L512-I518 HydrophobicContact CG-CD1 3.76Å; L512-A536 HydrophobicContact CD1-CB 3.97Å; L512-A536 HydrophobicContact CD2-CB 3.63Å; L512-A536 HydrophobicContact CG-CB 4.34Å
513	Q	85.4	Confident	92.3	Very high	154 Å²	154	67.1 Å²	67.1	72%	0.72	33%	0.33	S	S	*	.			trans	-56.1	146.3	169.6	-61.5	-174	18.1	0	0	110.7	G490 E515 S516	G490-Q513 WeakPolarHBondContact CA-O 3.48Å; Q513-E515 PolarHBondContact O-N 3.47Å; Q513-S516 PolarHBondContact O-N 3.42Å
514	K	81.7	Confident	93.1	Very high	138 Å²	138	59.2 Å²	59.2	60%	0.6	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-9.4	-172.5	-62.1	-167.5	175.1	-162.1	0	114.8	K489 E510	K489-K514 VanDerWaalsContact CE-O 3.24Å; K489-K514 WeakPolarHBondContact CE-O 3.39Å; K489-K514 WeakPolarHBondContact CG-O 3.44Å; E510-K514 VanDerWaalsContact OE1-CE 3.31Å; E510-K514 WeakPolarHBondContact OE1-CE 3.37Å; E510-K514 IonicContact OE1-NZ 2.78Å; E510-K514 PolarHBondContact OE1-NZ 3.37Å; E510-K514 IonicContact OE2-NZ 3.82Å
515	E	89.6	Confident	93.1	Very high	137 Å²	137	62.9 Å²	62.9	64%	0.64	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-22	176.2	-63.2	-53.8	127.3	0	0	114.8	K489 Q513	K489-E515 VanDerWaalsContact CE-CA 3.49Å; K489-E515 WeakPolarHBondContact CE-O 3.31Å; K489-E515 VanDerWaalsContact CE-OE2 3.27Å; K489-E515 WeakPolarHBondContact CE-OE2 3.31Å; K489-E515 IonicContact NZ-OE1 3.91Å; K489-E515 IonicContact NZ-OE2 3.88Å; K489-E515 PolarHBondContact NZ-OE2 2.83Å; Q513-E515 PolarHBondContact O-N 3.47Å
516	S	94.8	Very high	92.9	Very high	18 Å²	18	64.7 Å²	64.7	13%	0.126	31%	0.306	C	S	.	.	S	Bend	trans	-84.2	135.8	-175.9	-62.5	0	0	0	0	112.6	G490 Q513 E535	G490-S516 PolarHBondContact N-O 3Å; Q513-S516 PolarHBondContact O-N 3.42Å; S516-E535 WeakPolarHBondContact CB-O 3.42Å; S516-E535 PolarHBondContact OG-O 2.89Å
517	Y	97	Very high	92.8	Very high	62 Å²	62	62.6 Å²	62.6	24%	0.243	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-78.9	140.4	171	-71.1	-83.7	0	0	0	112.7	V471 K489 G534 E535	V471-Y517 HydrophobicContact CB-CE1 4Å; K489-Y517 HydrophobicContact CB-CD1 4.05Å; K489-Y517 HydrophobicContact CB-CE1 3.78Å; K489-Y517 HydrophobicContact CD-CE1 4.37Å; K489-Y517 HydrophobicContact CG-CD1 4.27Å; K489-Y517 HydrophobicContact CG-CE1 3.97Å; K489-Y517 HydrophobicContact CG-CE2 4.45Å; Y517-G534 VanDerWaalsContact O-CA 3.31Å; Y517-G534 WeakPolarHBondContact O-CA 3.5Å; Y517-E535 WeakPolarHBondContact CB-OE2 3.47Å; Y517-E535 WeakPolarHBondContact CD2-OE2 3.44Å; Y517-E535 PolarHBondContact N-OE2 3.2Å; Y517-E535 PolarHBondContact O-N 3.44Å
518	I	97.9	Very high	92.7	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	123.5	163.3	-56.5	-51.2	0	0	0	108.2	C473 A474 G488 V492 C511 L512 V532	C473-I518 WeakPolarHBondContact CB-O 3.44Å; A474-I518 HydrophobicContact CB-CG2 4.18Å; G488-I518 WeakPolarHBondContact O-CG1 3.43Å; G488-I518 PolarHBondContact O-N 3.39Å; V492-I518 HydrophobicContact CG2-CG1 4.11Å; V492-I518 HydrophobicContact CG2-CG2 4.13Å; C511-I518 HydrophobicContact CB-CD1 4.08Å; L512-I518 HydrophobicContact CB-CD1 4.28Å; L512-I518 HydrophobicContact CD1-CD1 3.67Å; L512-I518 HydrophobicContact CG-CD1 3.76Å; I518-V532 HydrophobicContact CD1-CG1 3.76Å; I518-V532 HydrophobicContact CG1-CG1 4.3Å; I518-V532 HydrophobicContact CG2-CG1 3.59Å
519	R	98.1	Very high	92.8	Very high	85 Å²	85	58.6 Å²	58.6	32%	0.321	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-25.3	-177.1	-56.8	-62	-65.6	-93.4	-10.5	112.9	G533 E535 Y562	R519-G533 PolarHBondContact N-O 3.36Å; R519-E535 WeakPolarHBondContact CD-OE1 3.4Å; R519-E535 HydrophobicContact CG-CG 4.06Å; R519-E535 IonicContact CZ-OE1 3.93Å; R519-E535 IonicContact NH1-OE1 2.77Å; R519-E535 PolarHBondContact NH1-OE1 3Å; R519-Y562 WeakPolarHBondContact CB-O 3.43Å
520	S	98	Very high	92.9	Very high	14 Å²	14	58.4 Å²	58.4	10%	0.098	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	141.2	173.4	-147.8	0	0	0	0	111.8	G533 L564	S520-G533 PolarHBondContact N-O 3.48Å; S520-G533 PolarHBondContact O-N 2.96Å; S520-G533 VanDerWaalsContact O-O 3.08Å; S520-L564 PolarHBondContact OG-N 2.85Å
521	C	97.3	Very high	93.1	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.1	167.2	60.4	0	0	0	0	109.2	L530 I531 V532	C521-L530 HydrophobicContact CB-CD1 4.2Å; C521-I531 CarbonylContact C-O 3.58Å; C521-I531 VanDerWaalsContact CA-O 3.29Å; C521-I531 WeakPolarHBondContact CA-O 3.38Å; C521-V532 HydrophobicContact CB-CG1 4.49Å; C521-V532 HydrophobicContact CB-CG2 4.17Å
522	K	97.3	Very high	93.5	Very high	74 Å²	74	51.9 Å²	51.9	32%	0.322	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	133.7	-177	-64	-65.1	-179	-174.8	0	110.2	I531 L564 I566	K522-I531 PolarHBondContact N-O 3.21Å; K522-I531 PolarHBondContact O-N 3.44Å; K522-L564 WeakPolarHBondContact CE-O 3.39Å; K522-L564 HydrophobicContact CG-CB 3.88Å; K522-L564 WeakPolarHBondContact CG-O 3.43Å; K522-I566 HydrophobicContact CB-CD1 4.32Å; K522-I566 HydrophobicContact CB-CG1 3.78Å
523	L	96	Very high	93.9	Very high	31 Å²	31	50.9 Å²	50.9	16%	0.162	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	144.2	172	-68.4	164.5	0	0	0	109.9	Y485 T529 L530 L544	Y485-L523 HydrophobicContact CD2-CD1 4.03Å; Y485-L523 HydrophobicContact CE1-CD2 4.29Å; Y485-L523 HydrophobicContact CE2-CD1 3.64Å; Y485-L523 HydrophobicContact CE2-CD2 4.2Å; Y485-L523 HydrophobicContact CE2-CG 4.39Å; L523-T529 WeakPolarHBondContact CA-O 3.18Å; L523-L530 HydrophobicContact CD2-CB 3.96Å; L523-L530 HydrophobicContact CD2-CD1 3.62Å; L523-L530 HydrophobicContact CD2-CG 4.41Å; L523-L530 HydrophobicContact CG-CD1 3.87Å; L523-L544 HydrophobicContact CD2-CD1 3.76Å
524	L	95	Very high	94.4	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.063	21%	0.205	C	C	.	.			trans	-69.5	157.7	161.3	-86.4	62.8	0	0	0	109.4	D526 G527 T529 I531 I566 N570 I587	L524-D526 VanDerWaalsContact CB-OD1 3.28Å; L524-D526 WeakPolarHBondContact CB-OD1 3.32Å; L524-D526 PolarHBondContact O-N 3.29Å; L524-G527 PolarHBondContact O-N 3.01Å; L524-T529 HydrophobicContact CD1-CG2 4.05Å; L524-T529 HydrophobicContact CD2-CG2 4.19Å; L524-T529 PolarHBondContact N-O 3.44Å; L524-I531 HydrophobicContact CD1-CD1 4Å; L524-I531 HydrophobicContact CD1-CG1 3.98Å; L524-I566 HydrophobicContact CD1-CD1 4.35Å; L524-I566 HydrophobicContact CD1-CG2 4.22Å; L524-I566 HydrophobicContact CG-CG2 4.23Å; L524-N570 HydrophobicContact CB-CB 4.45Å; L524-N570 HydrophobicContact CD2-CB 3.89Å; L524-N570 HydrophobicContact CG-CB 4.02Å; L524-I587 HydrophobicContact CD1-CD1 4.36Å; L524-I587 HydrophobicContact CD2-CG2 4.38Å
525	R	88.7	Confident	95.1	Very high	183 Å²	183	39.8 Å²	39.8	69%	0.691	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-11.6	-179.8	-63.8	173.6	167.1	-165.9	-10.1	114.2	G527 P568 N570	R525-G527 VanDerWaalsContact C-N 3.3Å; R525-P568 WeakPolarHBondContact CD-O 3.4Å; R525-P568 VanDerWaalsContact CZ-O 3.3Å; R525-P568 PolarHBondContact NE-O 3.48Å; R525-P568 PolarHBondContact NH1-O 3.1Å; R525-N570 WeakPolarHBondContact CG-OD1 3.49Å; R525-N570 PolarHBondContact N-ND2 3.33Å; R525-N570 PolarHBondContact N-OD1 3.28Å
526	D	87.6	Confident	95.4	Very high	79 Å²	79	34.2 Å²	34.2	42%	0.422	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-17.2	172.1	63.7	6.9	0	0	0	113.1	L524 C528 T529	L524-D526 VanDerWaalsContact CB-OD1 3.28Å; L524-D526 WeakPolarHBondContact CB-OD1 3.32Å; L524-D526 PolarHBondContact O-N 3.29Å; D526-C528 HydrophobicContact CB-CB 4.37Å; D526-C528 PolarHBondContact O-N 2.98Å; D526-C528 PolarHBondContact OD1-N 3.25Å; D526-T529 PolarHBondContact OD1-N 3.39Å
527	G	90.1	Very high	95.3	Very high	22 Å²	22	38.3 Å²	38.3	23%	0.227	18%	0.184	C	C	.	.	S	Bend	trans	67.6	3.4	-172.2	0	0	0	0	0	114.3	L524 R525	L524-G527 PolarHBondContact O-N 3.01Å; R525-G527 VanDerWaalsContact C-N 3.3Å
528	C	92.5	Very high	95.2	Very high	47 Å²	47	37.8 Å²	37.8	32%	0.318	19%	0.185	S	C	.	.	S	Bend	trans	-104.5	-14.6	-174	-68.2	0	0	0	0	113.2	D526 L544 T545	D526-C528 HydrophobicContact CB-CB 4.37Å; D526-C528 PolarHBondContact O-N 2.98Å; D526-C528 PolarHBondContact OD1-N 3.25Å; C528-L544 WeakPolarHBondContact O-CB 3.47Å; C528-L544 PolarHBondContact O-N 3.38Å; C528-T545 HydrophobicContact CB-CG2 3.86Å
529	T	95.3	Very high	95.1	Very high	10 Å²	10	37.9 Å²	37.9	6%	0.061	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.2	176.4	-50.7	0	0	0	0	111.1	L523 L524 D526 I541 W542	L523-T529 WeakPolarHBondContact CA-O 3.18Å; L524-T529 HydrophobicContact CD1-CG2 4.05Å; L524-T529 HydrophobicContact CD2-CG2 4.19Å; L524-T529 PolarHBondContact N-O 3.44Å; D526-T529 PolarHBondContact OD1-N 3.39Å; T529-I541 HydrophobicContact CG2-CG2 3.52Å; T529-W542 VanDerWaalsContact CA-O 3.31Å; T529-W542 WeakPolarHBondContact CA-O 3.45Å
530	L	97.1	Very high	95	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127	173.5	-179.9	78.8	0	0	0	109.9	Y485 V492 L509 C521 L523 V532 W542 L544	Y485-L530 HydrophobicContact CD1-CD1 4.22Å; Y485-L530 HydrophobicContact CD1-CD2 3.93Å; Y485-L530 HydrophobicContact CE1-CD2 4.35Å; V492-L530 HydrophobicContact CG1-CD2 4.25Å; L509-L530 HydrophobicContact CD1-CD2 3.84Å; C521-L530 HydrophobicContact CB-CD1 4.2Å; L523-L530 HydrophobicContact CD2-CB 3.96Å; L523-L530 HydrophobicContact CD2-CD1 3.62Å; L523-L530 HydrophobicContact CD2-CG 4.41Å; L523-L530 HydrophobicContact CG-CD1 3.87Å; L530-V532 HydrophobicContact CD2-CG2 3.66Å; L530-V532 HydrophobicContact CG-CG2 3.8Å; L530-W542 HydrophobicContact CB-CB 4.28Å; L530-W542 PolarHBondContact N-O 3.06Å; L530-W542 PolarHBondContact O-N 3.5Å; L530-L544 HydrophobicContact CB-CD1 3.95Å; L530-L544 HydrophobicContact CB-CG 4.35Å
531	I	97.6	Very high	95	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.5	172.1	-52.9	-165.9	0	0	0	108.8	C521 K522 L524 I539 T540 I541 L564 I566 C573 I587	C521-I531 CarbonylContact C-O 3.58Å; C521-I531 VanDerWaalsContact CA-O 3.29Å; C521-I531 WeakPolarHBondContact CA-O 3.38Å; K522-I531 PolarHBondContact N-O 3.21Å; K522-I531 PolarHBondContact O-N 3.44Å; L524-I531 HydrophobicContact CD1-CD1 4Å; L524-I531 HydrophobicContact CD1-CG1 3.98Å; I531-I539 HydrophobicContact CG2-CG2 3.43Å; I531-I539 VanDerWaalsContact CG2-CG2 3.43Å; I531-T540 WeakPolarHBondContact CA-O 3.18Å; I531-I541 HydrophobicContact CD1-CD1 4.22Å; I531-I541 HydrophobicContact CD1-CG1 4.22Å; I531-I541 HydrophobicContact CG1-CG1 4.17Å; I531-I541 HydrophobicContact CG1-CG2 4.36Å; I531-I541 HydrophobicContact CG2-CG1 4.39Å; I531-L564 HydrophobicContact CG2-CD1 3.99Å; I531-I566 HydrophobicContact CB-CD1 4.45Å; I531-I566 HydrophobicContact CD1-CD1 3.79Å; I531-I566 HydrophobicContact CG1-CD1 4.31Å; I531-C573 HydrophobicContact CD1-CB 4.02Å; I531-I587 HydrophobicContact CD1-CD1 3.81Å; I531-I587 HydrophobicContact CD1-CG1 3.9Å; I531-I587 HydrophobicContact CD1-CG2 4.46Å
532	V	97.9	Very high	95	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	125.1	-173.1	-173.3	0	0	0	0	110.4	V492 C511 I518 C521 L530 I539 T540	V492-V532 HydrophobicContact CG2-CG1 3.78Å; V492-V532 HydrophobicContact CG2-CG2 4.09Å; C511-V532 HydrophobicContact CB-CG1 4.13Å; I518-V532 HydrophobicContact CD1-CG1 3.76Å; I518-V532 HydrophobicContact CG1-CG1 4.3Å; I518-V532 HydrophobicContact CG2-CG1 3.59Å; C521-V532 HydrophobicContact CB-CG1 4.49Å; C521-V532 HydrophobicContact CB-CG2 4.17Å; L530-V532 HydrophobicContact CD2-CG2 3.66Å; L530-V532 HydrophobicContact CG-CG2 3.8Å; V532-I539 CarbonylContact O-C 3.54Å; V532-I539 WeakPolarHBondContact O-CA 3.39Å; V532-I539 WeakPolarHBondContact O-CG2 3.44Å; V532-T540 PolarHBondContact N-O 3.41Å; V532-T540 PolarHBondContact O-N 2.72Å
533	G	96.9	Very high	94.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	156.9	176.7	0	0	0	0	0	111.6	R519 S520	R519-G533 PolarHBondContact N-O 3.36Å; S520-G533 PolarHBondContact N-O 3.48Å; S520-G533 PolarHBondContact O-N 2.96Å; S520-G533 VanDerWaalsContact O-O 3.08Å
534	G	96.8	Very high	94.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	-149.5	-178.3	0	0	0	0	0	113.5	Y517 A536 A560 C561	Y517-G534 VanDerWaalsContact O-CA 3.31Å; Y517-G534 WeakPolarHBondContact O-CA 3.5Å; G534-A536 PolarHBondContact O-N 2.89Å; G534-A560 WeakPolarHBondContact O-CA 3.23Å; G534-C561 WeakPolarHBondContact CA-O 3.45Å; G534-C561 PolarHBondContact N-O 3.17Å; G534-C561 PolarHBondContact O-N 3.4Å
535	E	96	Very high	94.6	Very high	59 Å²	59	35.8 Å²	35.8	28%	0.276	19%	0.186	S	C	.	.	S	Bend	trans	-77.8	56.4	-179.1	-70	162.2	-174.5	0	0	112.2	S516 Y517 R519	S516-E535 WeakPolarHBondContact CB-O 3.42Å; S516-E535 PolarHBondContact OG-O 2.89Å; Y517-E535 WeakPolarHBondContact CB-OE2 3.47Å; Y517-E535 WeakPolarHBondContact CD2-OE2 3.44Å; Y517-E535 PolarHBondContact N-OE2 3.2Å; Y517-E535 PolarHBondContact O-N 3.44Å; R519-E535 WeakPolarHBondContact CD-OE1 3.4Å; R519-E535 HydrophobicContact CG-CG 4.06Å; R519-E535 IonicContact CZ-OE1 3.93Å; R519-E535 IonicContact NH1-OE1 2.77Å; R519-E535 PolarHBondContact NH1-OE1 3Å
536	A	95.1	Very high	94.6	Very high	21 Å²	21	29.3 Å²	29.3	17%	0.174	18%	0.177	C	C	.	.	S	Bend	trans	-155.6	160.8	175.1	0	0	0	0	0	110.6	L512 G534 I538 Q559	L512-A536 HydrophobicContact CD1-CB 3.97Å; L512-A536 HydrophobicContact CD2-CB 3.63Å; L512-A536 HydrophobicContact CG-CB 4.34Å; G534-A536 PolarHBondContact O-N 2.89Å; A536-I538 PolarHBondContact O-N 2.8Å; A536-Q559 CarbonylContact C-O 3.58Å; A536-Q559 WeakPolarHBondContact CA-O 3.48Å; A536-Q559 PolarHBondContact N-O 3.21Å
537	Q	94	Very high	94.6	Very high	103 Å²	103	31.5 Å²	31.5	48%	0.481	19%	0.192	S	C	.	.	S	Bend	trans	-67.6	-13.5	171.2	-77.5	174.2	-28.5	0	0	113.8	N556 N557 A558 Q559	Q537-N556 WeakPolarHBondContact CB-O 3.27Å; Q537-N556 WeakPolarHBondContact O-CA 3.31Å; Q537-N556 WeakPolarHBondContact O-CB 3.41Å; Q537-N556 PolarHBondContact O-N 2.91Å; Q537-N557 PolarHBondContact NE2-O 3.13Å; Q537-A558 VanDerWaalsContact CG-O 3.3Å; Q537-A558 WeakPolarHBondContact CG-O 3.28Å; Q537-Q559 PolarHBondContact N-O 2.97Å
538	I	94.7	Very high	94.8	Very high	52 Å²	52	31.5 Å²	31.5	27%	0.267	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.4	-173.1	-49.8	-174.7	0	0	0	110.4	A536 T540 E553	A536-I538 PolarHBondContact O-N 2.8Å; I538-T540 HydrophobicContact CG2-CG2 4.07Å; I538-E553 HydrophobicContact CG2-CB 3.86Å; I538-E553 HydrophobicContact CG2-CG 4.23Å
539	I	95.9	Very high	94.9	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.2	165.5	-57	169	0	0	0	107.4	I531 V532 L554 C561 L564 S575	I531-I539 HydrophobicContact CG2-CG2 3.43Å; I531-I539 VanDerWaalsContact CG2-CG2 3.43Å; V532-I539 CarbonylContact O-C 3.54Å; V532-I539 WeakPolarHBondContact O-CA 3.39Å; V532-I539 WeakPolarHBondContact O-CG2 3.44Å; I539-L554 HydrophobicContact CB-CB 4.26Å; I539-L554 PolarHBondContact N-O 2.79Å; I539-L554 PolarHBondContact O-N 2.89Å; I539-C561 HydrophobicContact CD1-CB 4.38Å; I539-C561 HydrophobicContact CG1-CB 4.28Å; I539-L564 HydrophobicContact CD1-CD2 4.2Å; I539-L564 HydrophobicContact CG2-CD2 4.39Å; I539-S575 VanDerWaalsContact CD1-CB 3.46Å
540	T	96.5	Very high	94.9	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	137.1	-177.3	59.5	0	0	0	0	111.3	C511 I531 V532 I538 W542 E553	C511-T540 WeakPolarHBondContact O-CG2 3.19Å; I531-T540 WeakPolarHBondContact CA-O 3.18Å; V532-T540 PolarHBondContact N-O 3.41Å; V532-T540 PolarHBondContact O-N 2.72Å; I538-T540 HydrophobicContact CG2-CG2 4.07Å; T540-W542 PolarHBondContact OG1-NE1 2.95Å; T540-E553 HydrophobicContact CG2-CG 4.33Å
541	I	96.6	Very high	94.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.4	174.6	-55.5	-176.2	0	0	0	108	T529 I531 K551 A552 L554 I587	T529-I541 HydrophobicContact CG2-CG2 3.52Å; I531-I541 HydrophobicContact CD1-CD1 4.22Å; I531-I541 HydrophobicContact CD1-CG1 4.22Å; I531-I541 HydrophobicContact CG1-CG1 4.17Å; I531-I541 HydrophobicContact CG1-CG2 4.36Å; I531-I541 HydrophobicContact CG2-CG1 4.39Å; I541-K551 HydrophobicContact CG2-CB 4.33Å; I541-K551 HydrophobicContact CG2-CD 4.24Å; I541-K551 WeakPolarHBondContact O-CB 3.42Å; I541-K551 PolarHBondContact O-N 2.71Å; I541-A552 HydrophobicContact CB-CB 4.18Å; I541-A552 HydrophobicContact CD1-CB 4.22Å; I541-A552 HydrophobicContact CG1-CB 4.44Å; I541-A552 PolarHBondContact N-O 2.87Å; I541-A552 PolarHBondContact O-N 3.05Å; I541-L554 HydrophobicContact CD1-CD1 4.03Å; I541-L554 HydrophobicContact CD1-CD2 4.34Å; I541-L554 HydrophobicContact CD1-CG 4.15Å; I541-I587 HydrophobicContact CD1-CG2 4.39Å
542	W	96.7	Very high	94.5	Very high	17 Å²	17	42.5 Å²	42.5	6%	0.064	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.8	-177.3	-70	77.3	0	0	0	111.5	L509 E510 C511 T529 L530 T540 L544 P548 K549 I550	L509-W542 HydrophobicContact CB-CD2 4.33Å; L509-W542 HydrophobicContact CB-CE3 4.3Å; L509-W542 HydrophobicContact CB-CH2 3.9Å; L509-W542 HydrophobicContact CB-CZ2 3.92Å; L509-W542 HydrophobicContact CB-CZ3 4.1Å; L509-W542 HydrophobicContact CD1-CD2 3.9Å; L509-W542 HydrophobicContact CD1-CE3 4.03Å; L509-W542 HydrophobicContact CD1-CG 4.12Å; L509-W542 HydrophobicContact CD2-CE3 3.93Å; L509-W542 HydrophobicContact CD2-CZ3 3.89Å; L509-W542 HydrophobicContact CG-CE3 4.31Å; L509-W542 HydrophobicContact CG-CZ3 4.41Å; E510-W542 WeakPolarHBondContact O-CZ2 3.31Å; C511-W542 HydrophobicContact CB-CZ2 4.43Å; C511-W542 PolarHBondContact SG-NE1 3.08Å; T529-W542 VanDerWaalsContact CA-O 3.31Å; T529-W542 WeakPolarHBondContact CA-O 3.45Å; L530-W542 HydrophobicContact CB-CB 4.28Å; L530-W542 PolarHBondContact N-O 3.06Å; L530-W542 PolarHBondContact O-N 3.5Å; T540-W542 PolarHBondContact OG1-NE1 2.95Å; W542-L544 HydrophobicContact CB-CD2 4.4Å; W542-P548 HydrophobicContact CE3-CB 4.22Å; W542-K549 WeakPolarHBondContact CA-O 3.42Å; W542-I550 HydrophobicContact CD2-CG1 4.1Å; W542-I550 HydrophobicContact CE3-CG1 4.24Å; W542-I550 HydrophobicContact CH2-CD1 4.15Å; W542-I550 HydrophobicContact CH2-CG1 3.61Å; W542-I550 HydrophobicContact CZ2-CD1 3.89Å; W542-I550 HydrophobicContact CZ2-CG1 3.43Å; W542-I550 VanDerWaalsContact CZ2-CG1 3.43Å; W542-I550 HydrophobicContact CZ3-CG1 4.01Å
543	D	95.6	Very high	94.4	Very high	26 Å²	26	47 Å²	47	14%	0.139	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.6	168.2	173.1	3.4	0	0	0	108.8	T545 P548 K549 K551	D543-T545 WeakPolarHBondContact OD1-CB 3.41Å; D543-T545 VanDerWaalsContact OD1-CG2 3.31Å; D543-T545 WeakPolarHBondContact OD1-CG2 3.37Å; D543-T545 PolarHBondContact OD1-N 3.09Å; D543-T545 PolarHBondContact OD1-OG1 3.14Å; D543-T545 PolarHBondContact OD2-OG1 3.37Å; D543-P548 WeakPolarHBondContact O-CA 3.49Å; D543-K549 HydrophobicContact CB-CG 4.12Å; D543-K549 VanDerWaalsContact CG-CE 3.5Å; D543-K549 PolarHBondContact N-O 2.67Å; D543-K549 PolarHBondContact O-N 3.01Å; D543-K549 VanDerWaalsContact O-N 3.16Å; D543-K549 WeakPolarHBondContact OD2-CE 3.18Å; D543-K549 IonicContact OD2-NZ 2.86Å; D543-K549 PolarHBondContact OD2-NZ 3.26Å; D543-K551 HydrophobicContact CB-CB 4.24Å
544	L	94.3	Very high	94.3	Very high	26 Å²	26	47.1 Å²	47.1	14%	0.136	26%	0.256	C	S	.	.			trans	-111.1	9.8	-176.5	-53.8	-178.3	0	0	0	113.3	Y485 I494 L523 C528 L530 W542 G546 P548	Y485-L544 HydrophobicContact CE1-CD1 3.79Å; Y485-L544 WeakPolarHBondContact OH-CD1 3.33Å; I494-L544 HydrophobicContact CD1-CD2 4.32Å; L523-L544 HydrophobicContact CD2-CD1 3.76Å; C528-L544 WeakPolarHBondContact O-CB 3.47Å; C528-L544 PolarHBondContact O-N 3.38Å; L530-L544 HydrophobicContact CB-CD1 3.95Å; L530-L544 HydrophobicContact CB-CG 4.35Å; W542-L544 HydrophobicContact CB-CD2 4.4Å; L544-G546 PolarHBondContact O-N 3.34Å; L544-P548 HydrophobicContact CD2-CB 4.02Å; L544-P548 HydrophobicContact CD2-CG 4.16Å
545	T	90.8	Very high	94	Very high	102 Å²	102	52.2 Å²	52.2	63%	0.626	28%	0.283	S	S	*	.	S	Bend	trans	-66.6	-5.4	-177.9	56.6	0	0	0	0	114.7	C528 D543	C528-T545 HydrophobicContact CB-CG2 3.86Å; D543-T545 WeakPolarHBondContact OD1-CB 3.41Å; D543-T545 VanDerWaalsContact OD1-CG2 3.31Å; D543-T545 WeakPolarHBondContact OD1-CG2 3.37Å; D543-T545 PolarHBondContact OD1-N 3.09Å; D543-T545 PolarHBondContact OD1-OG1 3.14Å; D543-T545 PolarHBondContact OD2-OG1 3.37Å
546	G	87.9	Confident	93.5	Very high	48 Å²	48	50.1 Å²	50.1	50%	0.495	27%	0.274	S	S	.	.	S	Bend	trans	-164.6	-126.9	179.1	0	0	0	0	0	110.4	L544 P548	L544-G546 PolarHBondContact O-N 3.34Å; G546-P548 WeakPolarHBondContact O-CD 3.45Å
547	V	89.6	Confident	93.1	Very high	124 Å²	124	56.1 Å²	56.1	75%	0.752	30%	0.303	S	S	*	.	S	Bend	trans	-65.2	122.7	166.9	-179.8	0	0	0	0	108.3	K549	V547-K549 PolarHBondContact O-N 3.36Å
548	P	93.2	Very high	92.9	Very high	22 Å²	22	51.4 Å²	51.4	14%	0.143	28%	0.282	C	S	.	.			trans	-58.7	134	-177.8	-28.9	37.4	0	0	0	113.1	I494 H507 L509 W542 D543 L544 G546	I494-P548 HydrophobicContact CD1-CG 4.23Å; H507-P548 HydrophobicContact CB-CG 4.21Å; H507-P548 VanDerWaalsContact CD2-CD 3.48Å; H507-P548 WeakPolarHBondContact CD2-CD 3.46Å; L509-P548 HydrophobicContact CD2-CB 3.31Å; L509-P548 HydrophobicContact CD2-CG 3.91Å; W542-P548 HydrophobicContact CE3-CB 4.22Å; D543-P548 WeakPolarHBondContact O-CA 3.49Å; L544-P548 HydrophobicContact CD2-CB 4.02Å; L544-P548 HydrophobicContact CD2-CG 4.16Å; G546-P548 WeakPolarHBondContact O-CD 3.45Å
549	K	94.2	Very high	92.7	Very high	113 Å²	113	56.1 Å²	56.1	49%	0.491	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	152.7	179.4	66.2	-173	177.4	-168.7	0	111	W542 D543 V547 K551	W542-K549 WeakPolarHBondContact CA-O 3.42Å; D543-K549 HydrophobicContact CB-CG 4.12Å; D543-K549 VanDerWaalsContact CG-CE 3.5Å; D543-K549 PolarHBondContact N-O 2.67Å; D543-K549 PolarHBondContact O-N 3.01Å; D543-K549 VanDerWaalsContact O-N 3.16Å; D543-K549 WeakPolarHBondContact OD2-CE 3.18Å; D543-K549 IonicContact OD2-NZ 2.86Å; D543-K549 PolarHBondContact OD2-NZ 3.26Å; V547-K549 PolarHBondContact O-N 3.36Å; K549-K551 PolarHBondContact O-N 2.92Å
550	I	95	Very high	92.7	Very high	73 Å²	73	56.5 Å²	56.5	37%	0.374	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	125.4	170.4	-59.2	173.6	0	0	0	108.2	W542 E553	W542-I550 HydrophobicContact CD2-CG1 4.1Å; W542-I550 HydrophobicContact CE3-CG1 4.24Å; W542-I550 HydrophobicContact CH2-CD1 4.15Å; W542-I550 HydrophobicContact CH2-CG1 3.61Å; W542-I550 HydrophobicContact CZ2-CD1 3.89Å; W542-I550 HydrophobicContact CZ2-CG1 3.43Å; W542-I550 VanDerWaalsContact CZ2-CG1 3.43Å; W542-I550 HydrophobicContact CZ3-CG1 4.01Å; I550-E553 HydrophobicContact CG2-CG 3.96Å
551	K	93.7	Very high	92.7	Very high	94 Å²	94	56.4 Å²	56.4	41%	0.409	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-38.4	175.1	-179.6	-174.9	174.1	-170.1	0	111.1	I541 D543 K549	I541-K551 HydrophobicContact CG2-CB 4.33Å; I541-K551 HydrophobicContact CG2-CD 4.24Å; I541-K551 WeakPolarHBondContact O-CB 3.42Å; I541-K551 PolarHBondContact O-N 2.71Å; D543-K551 HydrophobicContact CB-CB 4.24Å; K549-K551 PolarHBondContact O-N 2.92Å
552	A	94.3	Very high	92.7	Very high	8 Å²	8	59.2 Å²	59.2	7%	0.066	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	161.5	-178.5	0	0	0	0	0	111.6	I541 Q590	I541-A552 HydrophobicContact CB-CB 4.18Å; I541-A552 HydrophobicContact CD1-CB 4.22Å; I541-A552 HydrophobicContact CG1-CB 4.44Å; I541-A552 PolarHBondContact N-O 2.87Å; I541-A552 PolarHBondContact O-N 3.05Å; A552-Q590 HydrophobicContact CB-CG 3.87Å; A552-Q590 VanDerWaalsContact CB-OE1 3.24Å
553	E	94.9	Very high	92.8	Very high	95 Å²	95	58.9 Å²	58.9	44%	0.444	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.1	173.6	-63.7	-173.9	172.3	0	0	108.9	I538 T540 I550	I538-E553 HydrophobicContact CG2-CB 3.86Å; I538-E553 HydrophobicContact CG2-CG 4.23Å; T540-E553 HydrophobicContact CG2-CG 4.33Å; I550-E553 HydrophobicContact CG2-CG 3.96Å
554	L	94	Very high	92.9	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	113.6	177.3	-51	176.2	0	0	0	108.3	I539 I541 N556 W585 Q590	I539-L554 HydrophobicContact CB-CB 4.26Å; I539-L554 PolarHBondContact N-O 2.79Å; I539-L554 PolarHBondContact O-N 2.89Å; I541-L554 HydrophobicContact CD1-CD1 4.03Å; I541-L554 HydrophobicContact CD1-CD2 4.34Å; I541-L554 HydrophobicContact CD1-CG 4.15Å; L554-N556 PolarHBondContact O-N 3.14Å; L554-W585 HydrophobicContact CB-CD2 4.17Å; L554-W585 HydrophobicContact CB-CE3 3.94Å; L554-W585 HydrophobicContact CB-CH2 4.42Å; L554-W585 HydrophobicContact CB-CZ3 4.06Å; L554-W585 HydrophobicContact CD1-CB 3.79Å; L554-W585 HydrophobicContact CD1-CD2 3.86Å; L554-W585 HydrophobicContact CD1-CE3 4.07Å; L554-W585 HydrophobicContact CD1-CG 3.72Å; L554-W585 HydrophobicContact CD2-CE3 4.09Å; L554-W585 HydrophobicContact CG-CD2 4.48Å; L554-W585 HydrophobicContact CG-CE3 4.26Å; L554-Q590 HydrophobicContact CD2-CB 3.83Å
555	N	92.1	Very high	93.1	Very high	108 Å²	108	56.9 Å²	56.9	58%	0.578	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	107.2	179.2	-75.1	-65.1	0	0	0	110.5	W585	N555-W585 WeakPolarHBondContact O-CH2 3.24Å
556	N	83.7	Confident	93.3	Very high	14 Å²	14	53.4 Å²	53.4	8%	0.075	29%	0.285	C	S	.	.			trans	-90	144.9	172.4	-169.9	-4.9	0	0	0	110.2	Q537 L554 A558 C577 W585	Q537-N556 WeakPolarHBondContact CB-O 3.27Å; Q537-N556 WeakPolarHBondContact O-CA 3.31Å; Q537-N556 WeakPolarHBondContact O-CB 3.41Å; Q537-N556 PolarHBondContact O-N 2.91Å; L554-N556 PolarHBondContact O-N 3.14Å; N556-A558 VanDerWaalsContact C-N 3.32Å; N556-A558 PolarHBondContact OD1-N 3.12Å; N556-A558 VanDerWaalsContact OD1-N 3.16Å; N556-C577 PolarHBondContact ND2-SG 2.67Å; N556-W585 HydrophobicContact CB-CZ2 4Å
557	N	87	Confident	93.6	Very high	147 Å²	147	51.6 Å²	51.6	79%	0.786	27%	0.265	S	S	*	.	S	Bend	trans	-72.4	-28.7	175	-67.9	-24.8	0	0	0	112	Q537	Q537-N557 PolarHBondContact NE2-O 3.13Å
558	A	89.5	Confident	93.7	Very high	5 Å²	5	48 Å²	48	4%	0.041	24%	0.244	C	C	.	.	S	Bend	trans	-70.6	141.7	-179.9	0	0	0	0	0	112.5	Q537 N556 A560 C577	Q537-A558 VanDerWaalsContact CG-O 3.3Å; Q537-A558 WeakPolarHBondContact CG-O 3.28Å; N556-A558 VanDerWaalsContact C-N 3.32Å; N556-A558 PolarHBondContact OD1-N 3.12Å; N556-A558 VanDerWaalsContact OD1-N 3.16Å; A558-A560 PolarHBondContact O-N 2.68Å; A558-A560 VanDerWaalsContact O-N 3.17Å; A558-C577 HydrophobicContact CB-CB 3.59Å
559	Q	91.3	Very high	93.6	Very high	151 Å²	151	50.8 Å²	50.8	71%	0.706	26%	0.258	S	S	*	.	S	Bend	trans	-61.8	-27.6	-171.8	-66.6	-176.3	-16.2	0	0	114.8	A536 Q537	A536-Q559 CarbonylContact C-O 3.58Å; A536-Q559 WeakPolarHBondContact CA-O 3.48Å; A536-Q559 PolarHBondContact N-O 3.21Å; Q537-Q559 PolarHBondContact N-O 2.97Å
560	A	95.4	Very high	93.6	Very high	8 Å²	8	47.4 Å²	47.4	7%	0.066	25%	0.245	C	C	.	.			trans	-150.8	157.9	179.4	0	0	0	0	0	111.6	G534 A558 Y562 A578	G534-A560 WeakPolarHBondContact O-CA 3.23Å; A558-A560 PolarHBondContact O-N 2.68Å; A558-A560 VanDerWaalsContact O-N 3.17Å; A560-Y562 HydrophobicContact CB-CE1 4.06Å; A560-A578 HydrophobicContact CB-CB 4.07Å; A560-A578 PolarHBondContact O-N 2.83Å
561	C	96.8	Very high	93.5	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.007	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	112	170.9	172.4	0	0	0	0	108.9	G534 I539 L564 C576	G534-C561 WeakPolarHBondContact CA-O 3.45Å; G534-C561 PolarHBondContact N-O 3.17Å; G534-C561 PolarHBondContact O-N 3.4Å; I539-C561 HydrophobicContact CD1-CB 4.38Å; I539-C561 HydrophobicContact CG1-CB 4.28Å; C561-L564 VanDerWaalsContact SG-CD2 3.54Å; C561-C576 CarbonylContact C-O 3.51Å; C561-C576 VanDerWaalsContact CA-O 3.31Å; C561-C576 WeakPolarHBondContact CA-O 3.43Å
562	Y	97.6	Very high	93.6	Very high	59 Å²	59	47.6 Å²	47.6	23%	0.231	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-37	-176.9	-63.3	-42.5	0	0	0	113.2	R519 A560 C576 A578 A603	R519-Y562 WeakPolarHBondContact CB-O 3.43Å; A560-Y562 HydrophobicContact CB-CE1 4.06Å; Y562-C576 PolarHBondContact N-O 2.9Å; Y562-A578 HydrophobicContact CD2-CB 4.49Å; Y562-A578 HydrophobicContact CE2-CB 3.7Å; Y562-A603 WeakPolarHBondContact CD2-O 3.45Å
563	A	98	Very high	93.7	Very high	11 Å²	11	47.2 Å²	47.2	9%	0.091	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	152.2	-179.3	0	0	0	0	0	112.9	C576 S604 I606	A563-C576 HydrophobicContact CB-CB 4.17Å; A563-C576 PolarHBondContact O-N 2.82Å; A563-S604 WeakPolarHBondContact CB-O 3.27Å; A563-I606 HydrophobicContact CB-CG2 3.75Å
564	L	98	Very high	93.8	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.3	178.6	-67	173.1	0	0	0	111	S520 K522 I531 I539 C561 F574	S520-L564 PolarHBondContact OG-N 2.85Å; K522-L564 WeakPolarHBondContact CE-O 3.39Å; K522-L564 HydrophobicContact CG-CB 3.88Å; K522-L564 WeakPolarHBondContact CG-O 3.43Å; I531-L564 HydrophobicContact CG2-CD1 3.99Å; I539-L564 HydrophobicContact CD1-CD2 4.2Å; I539-L564 HydrophobicContact CG2-CD2 4.39Å; C561-L564 VanDerWaalsContact SG-CD2 3.54Å; L564-F574 CarbonylContact C-O 3.53Å; L564-F574 VanDerWaalsContact CA-O 3.31Å; L564-F574 WeakPolarHBondContact CA-O 3.23Å
565	A	97.3	Very high	94	Very high	8 Å²	8	42.8 Å²	42.8	7%	0.066	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.5	164.1	0	0	0	0	0	110.7	C573 F574 I606 I608	A565-C573 WeakPolarHBondContact O-CA 3.43Å; A565-F574 HydrophobicContact CB-CB 4.34Å; A565-F574 HydrophobicContact CB-CD2 4.37Å; A565-F574 PolarHBondContact N-O 2.9Å; A565-F574 PolarHBondContact O-N 2.88Å; A565-I606 HydrophobicContact CB-CD1 4.23Å; A565-I606 HydrophobicContact CB-CG1 3.94Å; A565-I606 HydrophobicContact CB-CG2 4.01Å; A565-I608 HydrophobicContact CB-CD1 4.27Å; A565-I608 HydrophobicContact CB-CG1 4.21Å
566	I	96.3	Very high	94.3	Very high	29 Å²	29	37.6 Å²	37.6	15%	0.149	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.7	-179.3	-53.6	-61.7	0	0	0	108.5	K522 L524 I531 C573 I587 I608	K522-I566 HydrophobicContact CB-CD1 4.32Å; K522-I566 HydrophobicContact CB-CG1 3.78Å; L524-I566 HydrophobicContact CD1-CD1 4.35Å; L524-I566 HydrophobicContact CD1-CG2 4.22Å; L524-I566 HydrophobicContact CG-CG2 4.23Å; I531-I566 HydrophobicContact CB-CD1 4.45Å; I531-I566 HydrophobicContact CD1-CD1 3.79Å; I531-I566 HydrophobicContact CG1-CD1 4.31Å; I566-C573 HydrophobicContact CD1-CB 4.05Å; I566-I587 HydrophobicContact CD1-CD1 4.44Å; I566-I587 HydrophobicContact CG2-CD1 4.37Å; I566-I608 VanDerWaalsContact O-CD1 3.28Å; I566-I608 WeakPolarHBondContact O-CD1 3.28Å
567	S	94.1	Very high	94.9	Very high	9 Å²	9	37 Å²	37	6%	0.063	19%	0.19	C	C	.	.			trans	-61.3	149.7	178.8	64	0	0	0	0	112.3	D569 N570 K571 L572	S567-D569 WeakPolarHBondContact CB-OD1 3.12Å; S567-D569 PolarHBondContact O-N 3.31Å; S567-D569 PolarHBondContact OG-OD1 3.43Å; S567-N570 PolarHBondContact O-N 3.27Å; S567-K571 PolarHBondContact OG-N 3.45Å; S567-L572 PolarHBondContact N-O 2.97Å; S567-L572 PolarHBondContact OG-N 2.84Å; S567-L572 PolarHBondContact OG-O 2.97Å
568	P	91.7	Very high	95.4	Very high	48 Å²	48	31.1 Å²	31.1	31%	0.312	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-20.8	178	-29.6	37.1	0	0	0	115.5	R525	R525-P568 WeakPolarHBondContact CD-O 3.4Å; R525-P568 VanDerWaalsContact CZ-O 3.3Å; R525-P568 PolarHBondContact NE-O 3.48Å; R525-P568 PolarHBondContact NH1-O 3.1Å
569	D	90.9	Very high	95.6	Very high	82 Å²	82	34.3 Å²	34.3	44%	0.439	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	8.2	177.4	75.4	-22.2	0	0	0	114.2	S567 K571	S567-D569 WeakPolarHBondContact CB-OD1 3.12Å; S567-D569 PolarHBondContact O-N 3.31Å; S567-D569 PolarHBondContact OG-OD1 3.43Å; D569-K571 PolarHBondContact O-N 3.36Å; D569-K571 PolarHBondContact OD1-N 2.95Å; D569-K571 WeakPolarHBondContact OD2-CD 3.38Å; D569-K571 WeakPolarHBondContact OD2-CE 3.49Å; D569-K571 WeakPolarHBondContact OD2-CG 3.48Å; D569-K571 IonicContact OD2-NZ 2.72Å; D569-K571 PolarHBondContact OD2-NZ 2.99Å
570	N	93.2	Very high	95.9	Very high	41 Å²	41	27.1 Å²	27.1	22%	0.219	15%	0.146	C	C	.	.	S	Bend	trans	59.5	15.1	-179	-64.4	-24.2	0	0	0	115.8	L524 R525 S567 I587	L524-N570 HydrophobicContact CB-CB 4.45Å; L524-N570 HydrophobicContact CD2-CB 3.89Å; L524-N570 HydrophobicContact CG-CB 4.02Å; R525-N570 WeakPolarHBondContact CG-OD1 3.49Å; R525-N570 PolarHBondContact N-ND2 3.33Å; R525-N570 PolarHBondContact N-OD1 3.28Å; S567-N570 PolarHBondContact O-N 3.27Å; N570-I587 WeakPolarHBondContact O-CD1 3.19Å
571	K	94.2	Very high	95.9	Very high	120 Å²	120	28 Å²	28	52%	0.522	15%	0.149	S	C	.	.			trans	-91.4	-35.1	-178.4	-61.3	-166	-161.8	111	0	114.4	S567 D569 I587	S567-K571 PolarHBondContact OG-N 3.45Å; D569-K571 PolarHBondContact O-N 3.36Å; D569-K571 PolarHBondContact OD1-N 2.95Å; D569-K571 WeakPolarHBondContact OD2-CD 3.38Å; D569-K571 WeakPolarHBondContact OD2-CE 3.49Å; D569-K571 WeakPolarHBondContact OD2-CG 3.48Å; D569-K571 IonicContact OD2-NZ 2.72Å; D569-K571 PolarHBondContact OD2-NZ 2.99Å; K571-I587 WeakPolarHBondContact O-CB 3.48Å; K571-I587 WeakPolarHBondContact O-CG1 3.49Å; K571-I587 PolarHBondContact O-N 3.38Å
572	L	95.3	Very high	95.9	Very high	52 Å²	52	28 Å²	28	27%	0.272	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.1	-174.3	-57.1	179	0	0	0	111.5	S567 F574 V584 W585 D586 V593	S567-L572 PolarHBondContact N-O 2.97Å; S567-L572 PolarHBondContact OG-N 2.84Å; S567-L572 PolarHBondContact OG-O 2.97Å; L572-F574 HydrophobicContact CB-CE2 4.18Å; L572-F574 HydrophobicContact CB-CZ 4.16Å; L572-F574 HydrophobicContact CD1-CZ 4.23Å; L572-V584 HydrophobicContact CB-CG1 4.4Å; L572-V584 HydrophobicContact CD1-CG1 4.22Å; L572-V584 HydrophobicContact CD2-CG1 4.45Å; L572-W585 CarbonylContact C-O 3.56Å; L572-W585 VanDerWaalsContact CA-O 3.28Å; L572-W585 WeakPolarHBondContact CA-O 3.29Å; L572-D586 HydrophobicContact CD2-CB 4.3Å; L572-V593 HydrophobicContact CD2-CG2 4.15Å
573	C	96.8	Very high	95.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.6	168.2	-177	0	0	0	0	108.9	I531 A565 I566 W585 I587	I531-C573 HydrophobicContact CD1-CB 4.02Å; A565-C573 WeakPolarHBondContact O-CA 3.43Å; I566-C573 HydrophobicContact CD1-CB 4.05Å; C573-W585 HydrophobicContact CB-CB 4.3Å; C573-W585 PolarHBondContact N-O 3.49Å; C573-W585 PolarHBondContact O-N 2.99Å; C573-I587 HydrophobicContact CB-CD1 4Å; C573-I587 HydrophobicContact CB-CG1 3.88Å
574	F	97.3	Very high	95.8	Very high	3 Å²	3	25 Å²	25	1%	0.013	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126	174.6	-54.9	-88.4	0	0	0	108.6	L564 A565 L572 I582 A583 V584 F596 I606 I608 L615 L629	L564-F574 CarbonylContact C-O 3.53Å; L564-F574 VanDerWaalsContact CA-O 3.31Å; L564-F574 WeakPolarHBondContact CA-O 3.23Å; A565-F574 HydrophobicContact CB-CB 4.34Å; A565-F574 HydrophobicContact CB-CD2 4.37Å; A565-F574 PolarHBondContact N-O 2.9Å; A565-F574 PolarHBondContact O-N 2.88Å; L572-F574 HydrophobicContact CB-CE2 4.18Å; L572-F574 HydrophobicContact CB-CZ 4.16Å; L572-F574 HydrophobicContact CD1-CZ 4.23Å; F574-I582 HydrophobicContact CB-CG2 4.45Å; F574-A583 WeakPolarHBondContact CA-O 3.42Å; F574-V584 HydrophobicContact CD1-CB 4.37Å; F574-V584 HydrophobicContact CD1-CG1 3.94Å; F574-V584 HydrophobicContact CD1-CG2 3.85Å; F574-V584 HydrophobicContact CE1-CB 4.44Å; F574-V584 HydrophobicContact CE1-CG1 3.65Å; F574-V584 HydrophobicContact CE1-CG2 4Å; F574-V584 HydrophobicContact CZ-CG1 4.37Å; F574-F596 HydrophobicContact CE1-CE2 4.39Å; F574-I606 HydrophobicContact CB-CD1 3.53Å; F574-I606 HydrophobicContact CG-CD1 4.46Å; F574-I608 HydrophobicContact CD2-CD1 3.94Å; F574-I608 HydrophobicContact CE2-CD1 3.72Å; F574-L615 HydrophobicContact CB-CD1 4.48Å; F574-L615 HydrophobicContact CD1-CD1 4.13Å; F574-L615 HydrophobicContact CD1-CD2 3.68Å; F574-L615 HydrophobicContact CD2-CD1 4.17Å; F574-L615 HydrophobicContact CE1-CD1 4.46Å; F574-L615 HydrophobicContact CE1-CD2 4.17Å; F574-L615 HydrophobicContact CE2-CD1 4.48Å; F574-L615 HydrophobicContact CG-CD1 4Å; F574-L615 HydrophobicContact CG-CD2 4.21Å; F574-L629 HydrophobicContact CD1-CD2 4.34Å; F574-L629 HydrophobicContact CE1-CD2 3.36Å; F574-L629 HydrophobicContact CZ-CD1 4.24Å; F574-L629 HydrophobicContact CZ-CD2 3.51Å
575	S	97.5	Very high	95.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.8	179.7	60.5	0	0	0	0	111.7	I539 C577 I582 A583 W585	I539-S575 VanDerWaalsContact CD1-CB 3.46Å; S575-C577 PolarHBondContact O-SG 3.07Å; S575-C577 VanDerWaalsContact O-SG 3.34Å; S575-I582 WeakPolarHBondContact O-CA 3.4Å; S575-A583 PolarHBondContact N-O 2.8Å; S575-A583 PolarHBondContact O-N 3.15Å; S575-A583 WeakPolarHBondContact OG-CB 3.35Å; S575-A583 PolarHBondContact OG-O 3.01Å; S575-W585 PolarHBondContact OG-NE1 3.45Å
576	C	97.8	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	117.3	174	-67.5	0	0	0	0	110.2	C561 Y562 A563 I582 A603 I606	C561-C576 CarbonylContact C-O 3.51Å; C561-C576 VanDerWaalsContact CA-O 3.31Å; C561-C576 WeakPolarHBondContact CA-O 3.43Å; Y562-C576 PolarHBondContact N-O 2.9Å; A563-C576 HydrophobicContact CB-CB 4.17Å; A563-C576 PolarHBondContact O-N 2.82Å; C576-I582 HydrophobicContact CB-CD1 4.42Å; C576-A603 HydrophobicContact CB-CB 3.69Å; C576-A603 VanDerWaalsContact CB-O 3.26Å; C576-A603 WeakPolarHBondContact CB-O 3.33Å; C576-I606 WeakPolarHBondContact SG-CB 3.41Å
577	C	97.1	Very high	95.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	150.5	-171.7	-54.2	0	0	0	0	111.1	N556 A558 S575 D579 G580 N581 A603	N556-C577 PolarHBondContact ND2-SG 2.67Å; A558-C577 HydrophobicContact CB-CB 3.59Å; S575-C577 PolarHBondContact O-SG 3.07Å; S575-C577 VanDerWaalsContact O-SG 3.34Å; C577-D579 WeakPolarHBondContact CB-OD1 3.28Å; C577-D579 PolarHBondContact O-N 3.41Å; C577-D579 VanDerWaalsContact O-N 3.15Å; C577-G580 PolarHBondContact O-N 2.89Å; C577-G580 VanDerWaalsContact O-N 3.1Å; C577-N581 HydrophobicContact CB-CB 4.42Å; C577-N581 WeakPolarHBondContact CB-O 3.3Å; C577-N581 PolarHBondContact N-O 2.97Å; C577-N581 PolarHBondContact SG-O 2.9Å; C577-A603 PolarHBondContact O-N 2.64Å; C577-A603 VanDerWaalsContact O-N 3.11Å
578	A	96.2	Very high	95.6	Very high	25 Å²	25	32.6 Å²	32.6	21%	0.207	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-9.3	176.4	0	0	0	0	0	114.6	A560 Y562	A560-A578 HydrophobicContact CB-CB 4.07Å; A560-A578 PolarHBondContact O-N 2.83Å; Y562-A578 HydrophobicContact CD2-CB 4.49Å; Y562-A578 HydrophobicContact CE2-CB 3.7Å
579	D	95.5	Very high	95.7	Very high	71 Å²	71	33.3 Å²	33.3	38%	0.38	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	9	173.9	67	-8.8	0	0	0	113.2	C577 N581	C577-D579 WeakPolarHBondContact CB-OD1 3.28Å; C577-D579 PolarHBondContact O-N 3.41Å; C577-D579 VanDerWaalsContact O-N 3.15Å; D579-N581 VanDerWaalsContact C-N 3.29Å; D579-N581 PolarHBondContact O-N 2.83Å; D579-N581 WeakPolarHBondContact OD1-CB 3.31Å; D579-N581 PolarHBondContact OD1-N 2.86Å; D579-N581 PolarHBondContact OD1-ND2 2.71Å; D579-N581 PolarHBondContact OD2-ND2 2.98Å
580	G	95.8	Very high	95.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	17%	0.174	C	C	.	.	S	Bend	trans	85.9	-11.9	-178	0	0	0	0	0	114.8	C577 H599 D601	C577-G580 PolarHBondContact O-N 2.89Å; C577-G580 VanDerWaalsContact O-N 3.1Å; G580-H599 WeakPolarHBondContact O-CB 3.43Å; G580-D601 WeakPolarHBondContact CA-O 3.3Å
581	N	96.7	Very high	96	Very high	27 Å²	27	34.8 Å²	34.8	14%	0.144	18%	0.182	C	C	.	.			trans	-78.4	152.8	-177.8	-65.1	-54.2	0	0	0	112.6	C577 D579 Q595 Q597	C577-N581 HydrophobicContact CB-CB 4.42Å; C577-N581 WeakPolarHBondContact CB-O 3.3Å; C577-N581 PolarHBondContact N-O 2.97Å; C577-N581 PolarHBondContact SG-O 2.9Å; D579-N581 VanDerWaalsContact C-N 3.29Å; D579-N581 PolarHBondContact O-N 2.83Å; D579-N581 WeakPolarHBondContact OD1-CB 3.31Å; D579-N581 PolarHBondContact OD1-N 2.86Å; D579-N581 PolarHBondContact OD1-ND2 2.71Å; D579-N581 PolarHBondContact OD2-ND2 2.98Å; N581-Q595 HydrophobicContact CB-CG 3.92Å; N581-Q595 VanDerWaalsContact CG-NE2 3.34Å; N581-Q595 PolarHBondContact ND2-NE2 3.02Å; N581-Q597 WeakPolarHBondContact OD1-CG 3.27Å
582	I	97.3	Very high	96.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	99	172.1	-37.9	-64.3	0	0	0	108.4	F574 S575 C576 Q595 F596 A603 I606 L615 T617	F574-I582 HydrophobicContact CB-CG2 4.45Å; S575-I582 WeakPolarHBondContact O-CA 3.4Å; C576-I582 HydrophobicContact CB-CD1 4.42Å; I582-Q595 CarbonylContact O-C 3.52Å; I582-Q595 WeakPolarHBondContact O-CA 3.45Å; I582-F596 HydrophobicContact CB-CB 4.05Å; I582-F596 HydrophobicContact CB-CD2 4.17Å; I582-F596 HydrophobicContact CG1-CB 4.27Å; I582-F596 HydrophobicContact CG2-CD2 4.47Å; I582-F596 PolarHBondContact N-O 2.94Å; I582-F596 PolarHBondContact O-N 3.4Å; I582-A603 HydrophobicContact CD1-CB 3.39Å; I582-I606 HydrophobicContact CG2-CD1 3.83Å; I582-L615 HydrophobicContact CG2-CD2 4.02Å; I582-T617 HydrophobicContact CD1-CG2 3.73Å; I582-T617 HydrophobicContact CG1-CG2 3.99Å
583	A	96.7	Very high	96	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	135.8	177.6	0	0	0	0	0	110.7	F574 S575 W585 L592	F574-A583 WeakPolarHBondContact CA-O 3.42Å; S575-A583 PolarHBondContact N-O 2.8Å; S575-A583 PolarHBondContact O-N 3.15Å; S575-A583 WeakPolarHBondContact OG-CB 3.35Å; S575-A583 PolarHBondContact OG-O 3.01Å; A583-W585 HydrophobicContact CB-CZ2 4.27Å; A583-L592 HydrophobicContact CB-CD1 3.57Å
584	V	96.6	Very high	95.9	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.1	-179.4	-168	0	0	0	0	108.8	L572 F574 V593 R594 F596	L572-V584 HydrophobicContact CB-CG1 4.4Å; L572-V584 HydrophobicContact CD1-CG1 4.22Å; L572-V584 HydrophobicContact CD2-CG1 4.45Å; F574-V584 HydrophobicContact CD1-CB 4.37Å; F574-V584 HydrophobicContact CD1-CG1 3.94Å; F574-V584 HydrophobicContact CD1-CG2 3.85Å; F574-V584 HydrophobicContact CE1-CB 4.44Å; F574-V584 HydrophobicContact CE1-CG1 3.65Å; F574-V584 HydrophobicContact CE1-CG2 4Å; F574-V584 HydrophobicContact CZ-CG1 4.37Å; V584-V593 HydrophobicContact CB-CG2 4.16Å; V584-V593 HydrophobicContact CG1-CG2 3.89Å; V584-V593 VanDerWaalsContact O-CG2 3.25Å; V584-V593 WeakPolarHBondContact O-CG2 3.4Å; V584-V593 PolarHBondContact O-N 3.29Å; V584-R594 HydrophobicContact CB-CB 4.01Å; V584-R594 WeakPolarHBondContact CB-O 3.24Å; V584-R594 HydrophobicContact CG2-CB 3.96Å; V584-R594 HydrophobicContact CG2-CG 4.47Å; V584-R594 PolarHBondContact N-O 3.21Å; V584-R594 PolarHBondContact O-N 3.46Å; V584-F596 HydrophobicContact CG2-CD2 3.76Å; V584-F596 HydrophobicContact CG2-CE2 3.5Å; V584-F596 VanDerWaalsContact CG2-CE2 3.5Å
585	W	96.7	Very high	95.8	Very high	14 Å²	14	42.2 Å²	42.2	5%	0.053	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.7	-175.6	-56.4	90	0	0	0	110.5	L554 N555 N556 L572 C573 S575 A583 T591 L592	L554-W585 HydrophobicContact CB-CD2 4.17Å; L554-W585 HydrophobicContact CB-CE3 3.94Å; L554-W585 HydrophobicContact CB-CH2 4.42Å; L554-W585 HydrophobicContact CB-CZ3 4.06Å; L554-W585 HydrophobicContact CD1-CB 3.79Å; L554-W585 HydrophobicContact CD1-CD2 3.86Å; L554-W585 HydrophobicContact CD1-CE3 4.07Å; L554-W585 HydrophobicContact CD1-CG 3.72Å; L554-W585 HydrophobicContact CD2-CE3 4.09Å; L554-W585 HydrophobicContact CG-CD2 4.48Å; L554-W585 HydrophobicContact CG-CE3 4.26Å; N555-W585 WeakPolarHBondContact O-CH2 3.24Å; N556-W585 HydrophobicContact CB-CZ2 4Å; L572-W585 CarbonylContact C-O 3.56Å; L572-W585 VanDerWaalsContact CA-O 3.28Å; L572-W585 WeakPolarHBondContact CA-O 3.29Å; C573-W585 HydrophobicContact CB-CB 4.3Å; C573-W585 PolarHBondContact N-O 3.49Å; C573-W585 PolarHBondContact O-N 2.99Å; S575-W585 PolarHBondContact OG-NE1 3.45Å; A583-W585 HydrophobicContact CB-CZ2 4.27Å; W585-T591 WeakPolarHBondContact CA-O 3.5Å; W585-L592 HydrophobicContact CD2-CD1 4.16Å; W585-L592 HydrophobicContact CE3-CB 3.98Å; W585-L592 HydrophobicContact CE3-CD1 4.42Å; W585-L592 HydrophobicContact CH2-CB 4.04Å; W585-L592 HydrophobicContact CH2-CD1 4.19Å; W585-L592 HydrophobicContact CZ2-CD1 3.93Å; W585-L592 HydrophobicContact CZ3-CB 3.72Å; W585-L592 HydrophobicContact CZ3-CD1 4.45Å
586	D	96.2	Very high	95.7	Very high	38 Å²	38	42.4 Å²	42.4	20%	0.203	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.7	162.9	-176.2	-58.1	0	0	0	108.9	L572 Q588 S589 Q590 T591 V593	L572-D586 HydrophobicContact CD2-CB 4.3Å; D586-Q588 VanDerWaalsContact C-N 3.29Å; D586-Q588 PolarHBondContact O-N 3.09Å; D586-Q588 WeakPolarHBondContact OD1-CA 3.25Å; D586-Q588 WeakPolarHBondContact OD1-CB 3.45Å; D586-Q588 PolarHBondContact OD1-N 3.08Å; D586-S589 VanDerWaalsContact CB-OG 3.31Å; D586-S589 WeakPolarHBondContact CB-OG 3.32Å; D586-S589 PolarHBondContact OD1-N 3.33Å; D586-S589 PolarHBondContact OD1-OG 2.94Å; D586-Q590 VanDerWaalsContact O-CA 3.25Å; D586-Q590 WeakPolarHBondContact O-CA 3.47Å; D586-Q590 PolarHBondContact O-N 3.49Å; D586-T591 PolarHBondContact N-O 3.24Å; D586-T591 PolarHBondContact O-N 3.28Å; D586-V593 HydrophobicContact CB-CG1 3.84Å
587	I	94.8	Very high	95.5	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.041	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-25.8	-174.2	-65.7	167.2	0	0	0	111.5	L524 I531 I541 I566 N570 K571 C573	L524-I587 HydrophobicContact CD1-CD1 4.36Å; L524-I587 HydrophobicContact CD2-CG2 4.38Å; I531-I587 HydrophobicContact CD1-CD1 3.81Å; I531-I587 HydrophobicContact CD1-CG1 3.9Å; I531-I587 HydrophobicContact CD1-CG2 4.46Å; I541-I587 HydrophobicContact CD1-CG2 4.39Å; I566-I587 HydrophobicContact CD1-CD1 4.44Å; I566-I587 HydrophobicContact CG2-CD1 4.37Å; N570-I587 WeakPolarHBondContact O-CD1 3.19Å; K571-I587 WeakPolarHBondContact O-CB 3.48Å; K571-I587 WeakPolarHBondContact O-CG1 3.49Å; K571-I587 PolarHBondContact O-N 3.38Å; C573-I587 HydrophobicContact CB-CD1 4Å; C573-I587 HydrophobicContact CB-CG1 3.88Å
588	Q	93.3	Very high	95.1	Very high	148 Å²	148	50.1 Å²	50.1	69%	0.692	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-43.8	-175.8	-179.1	60.2	24.1	0	0	111.9	D586	D586-Q588 VanDerWaalsContact C-N 3.29Å; D586-Q588 PolarHBondContact O-N 3.09Å; D586-Q588 WeakPolarHBondContact OD1-CA 3.25Å; D586-Q588 WeakPolarHBondContact OD1-CB 3.45Å; D586-Q588 PolarHBondContact OD1-N 3.08Å
589	S	94.3	Very high	95.2	Very high	63 Å²	63	49.3 Å²	49.3	44%	0.441	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-15	174.5	62	0	0	0	0	113.7	D586 T591	D586-S589 VanDerWaalsContact CB-OG 3.31Å; D586-S589 WeakPolarHBondContact CB-OG 3.32Å; D586-S589 PolarHBondContact OD1-N 3.33Å; D586-S589 PolarHBondContact OD1-OG 2.94Å; S589-T591 VanDerWaalsContact C-N 3.27Å; S589-T591 PolarHBondContact O-N 3.19Å; S589-T591 PolarHBondContact OG-OG1 3Å
590	Q	94.5	Very high	95.2	Very high	89 Å²	89	51.9 Å²	51.9	42%	0.416	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	29.7	-179.6	-52.6	166.2	30	0	0	113	A552 L554 D586	A552-Q590 HydrophobicContact CB-CG 3.87Å; A552-Q590 VanDerWaalsContact CB-OE1 3.24Å; L554-Q590 HydrophobicContact CD2-CB 3.83Å; D586-Q590 VanDerWaalsContact O-CA 3.25Å; D586-Q590 WeakPolarHBondContact O-CA 3.47Å; D586-Q590 PolarHBondContact O-N 3.49Å
591	T	95.4	Very high	95.3	Very high	65 Å²	65	55.3 Å²	55.3	40%	0.399	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.6	-175.7	53.6	0	0	0	0	112	W585 D586 S589 V593	W585-T591 WeakPolarHBondContact CA-O 3.5Å; D586-T591 PolarHBondContact N-O 3.24Å; D586-T591 PolarHBondContact O-N 3.28Å; S589-T591 VanDerWaalsContact C-N 3.27Å; S589-T591 PolarHBondContact O-N 3.19Å; S589-T591 PolarHBondContact OG-OG1 3Å; T591-V593 PolarHBondContact O-N 2.94Å
592	L	95.8	Very high	95.2	Very high	81 Å²	81	54 Å²	54	42%	0.424	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	118.9	163.7	-175	72	0	0	0	108.6	A583 W585	A583-L592 HydrophobicContact CB-CD1 3.57Å; W585-L592 HydrophobicContact CD2-CD1 4.16Å; W585-L592 HydrophobicContact CE3-CB 3.98Å; W585-L592 HydrophobicContact CE3-CD1 4.42Å; W585-L592 HydrophobicContact CH2-CB 4.04Å; W585-L592 HydrophobicContact CH2-CD1 4.19Å; W585-L592 HydrophobicContact CZ2-CD1 3.93Å; W585-L592 HydrophobicContact CZ3-CB 3.72Å; W585-L592 HydrophobicContact CZ3-CD1 4.45Å
593	V	94.4	Very high	95.3	Very high	78 Å²	78	54 Å²	54	47%	0.473	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-24.7	-178	-71	0	0	0	0	113.5	L572 V584 D586 T591	L572-V593 HydrophobicContact CD2-CG2 4.15Å; V584-V593 HydrophobicContact CB-CG2 4.16Å; V584-V593 HydrophobicContact CG1-CG2 3.89Å; V584-V593 VanDerWaalsContact O-CG2 3.25Å; V584-V593 WeakPolarHBondContact O-CG2 3.4Å; V584-V593 PolarHBondContact O-N 3.29Å; D586-V593 HydrophobicContact CB-CG1 3.84Å; T591-V593 PolarHBondContact O-N 2.94Å
594	R	93.6	Very high	95.3	Very high	100 Å²	100	54.8 Å²	54.8	38%	0.377	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	159	177.8	-173.1	172.2	-72.6	177.5	-8.5	109.7	V584 L629 R630 G632	V584-R594 HydrophobicContact CB-CB 4.01Å; V584-R594 WeakPolarHBondContact CB-O 3.24Å; V584-R594 HydrophobicContact CG2-CB 3.96Å; V584-R594 HydrophobicContact CG2-CG 4.47Å; V584-R594 PolarHBondContact N-O 3.21Å; V584-R594 PolarHBondContact O-N 3.46Å; R594-L629 PolarHBondContact NH1-O 3.05Å; R594-R630 PolarHBondContact NH1-O 2.85Å; R594-R630 PolarHBondContact NH2-O 3.41Å; R594-G632 VanDerWaalsContact NH1-CA 3.31Å
595	Q	94.8	Very high	95.4	Very high	72 Å²	72	55 Å²	55	34%	0.336	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	123.4	169.7	-170.8	176.1	13.7	0	0	107.7	N581 I582	N581-Q595 HydrophobicContact CB-CG 3.92Å; N581-Q595 VanDerWaalsContact CG-NE2 3.34Å; N581-Q595 PolarHBondContact ND2-NE2 3.02Å; I582-Q595 CarbonylContact O-C 3.52Å; I582-Q595 WeakPolarHBondContact O-CA 3.45Å
596	F	95.7	Very high	95.5	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.8	169.3	-58	-90.6	0	0	0	108.5	F574 I582 V584 L615 W627 L629	F574-F596 HydrophobicContact CE1-CE2 4.39Å; I582-F596 HydrophobicContact CB-CB 4.05Å; I582-F596 HydrophobicContact CB-CD2 4.17Å; I582-F596 HydrophobicContact CG1-CB 4.27Å; I582-F596 HydrophobicContact CG2-CD2 4.47Å; I582-F596 PolarHBondContact N-O 2.94Å; I582-F596 PolarHBondContact O-N 3.4Å; V584-F596 HydrophobicContact CG2-CD2 3.76Å; V584-F596 HydrophobicContact CG2-CE2 3.5Å; V584-F596 VanDerWaalsContact CG2-CE2 3.5Å; F596-L615 HydrophobicContact CD2-CD2 4.25Å; F596-L615 HydrophobicContact CE2-CD2 3.98Å; F596-W627 HydrophobicContact CB-CD2 4.11Å; F596-W627 HydrophobicContact CB-CE3 3.82Å; F596-W627 HydrophobicContact CB-CH2 4.2Å; F596-W627 HydrophobicContact CB-CZ2 4.46Å; F596-W627 HydrophobicContact CB-CZ3 3.87Å; F596-W627 HydrophobicContact CD1-CB 4.06Å; F596-W627 AromaticContact CD1-CD2 3.95Å; F596-W627 HydrophobicContact CD1-CD2 3.95Å; F596-W627 AromaticContact CD1-CE3 3.56Å; F596-W627 HydrophobicContact CD1-CE3 3.56Å; F596-W627 HydrophobicContact CD1-CG 4.19Å; F596-W627 HydrophobicContact CD1-CZ3 4.3Å; F596-W627 HydrophobicContact CE1-CB 3.83Å; F596-W627 HydrophobicContact CE1-CE3 4.42Å; F596-W627 HydrophobicContact CE1-CG 4.43Å; F596-W627 HydrophobicContact CG-CD2 4.19Å; F596-W627 HydrophobicContact CG-CE3 4.03Å; F596-W627 HydrophobicContact CZ-CB 4.37Å; F596-L629 HydrophobicContact CE2-CD2 4.29Å; F596-L629 HydrophobicContact CZ-CD2 4.01Å
597	Q	94.7	Very high	95.6	Very high	137 Å²	137	55.9 Å²	55.9	64%	0.64	30%	0.299	S	S	*	.			trans	-117	137.6	178.9	-53.2	-175.4	1.1	0	0	108.2	N581 W627	N581-Q597 WeakPolarHBondContact OD1-CG 3.27Å; Q597-W627 WeakPolarHBondContact O-CH2 3.37Å; Q597-W627 WeakPolarHBondContact O-CZ3 3.45Å
598	G	88.8	Confident	95.6	Very high	26 Å²	26	56.3 Å²	56.3	27%	0.268	30%	0.301	S	S	.	.			trans	169.5	-42.4	173.2	0	0	0	0	0	114.7	T600 R625	G598-T600 PolarHBondContact O-N 3.22Å; G598-R625 VanDerWaalsContact C-NH1 3.26Å; G598-R625 PolarHBondContact O-NH1 3.19Å; G598-R625 PolarHBondContact O-NH2 3.07Å
599	H	96.8	Very high	95.7	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.037	27%	0.269	C	S	.	.			trans	-62.2	132.4	173.5	-70.3	-77.8	0	0	0	109.6	G580 D601 T617 G619 D621 T623 R625	G580-H599 WeakPolarHBondContact O-CB 3.43Å; H599-D601 WeakPolarHBondContact CB-O 3.2Å; H599-T617 WeakPolarHBondContact NE2-CB 3.3Å; H599-T617 PolarHBondContact NE2-OG1 3.25Å; H599-G619 PolarHBondContact CE1-N 2.96Å; H599-D621 VanDerWaalsContact CA-OD2 3.23Å; H599-D621 WeakPolarHBondContact CA-OD2 3.5Å; H599-D621 IonicContact CE1-OD1 3.68Å; H599-D621 IonicContact CG-OD1 3.87Å; H599-D621 IonicContact CG-OD2 2.64Å; H599-D621 IonicContact ND1-OD1 3.36Å; H599-D621 PolarHBondContact ND1-OD1 3.43Å; H599-D621 IonicContact ND1-OD2 3.16Å; H599-D621 PolarHBondContact ND1-OD2 3.13Å; H599-T623 PolarHBondContact CE1-O 2.97Å; H599-T623 PolarHBondContact CE1-OG1 3.28Å; H599-T623 VanDerWaalsContact CE1-OG1 3.28Å; H599-T623 PolarHBondContact ND1-OG1 2.73Å; H599-R625 PolarHBondContact ND1-NE 2.79Å
600	T	96.9	Very high	95.6	Very high	124 Å²	124	50.5 Å²	50.5	76%	0.761	27%	0.27	S	S	*	.	S	Bend	trans	-91.6	-1.2	-176.1	58.2	0	0	0	0	113.8	G598 D621	G598-T600 PolarHBondContact O-N 3.22Å; T600-D621 PolarHBondContact N-OD2 3.06Å; T600-D621 VanDerWaalsContact N-OD2 3.17Å; T600-D621 WeakPolarHBondContact OG1-CB 3.32Å
601	D	96.4	Very high	95.5	Very high	74 Å²	74	50.2 Å²	50.2	40%	0.396	27%	0.271	S	S	.	.	S	Bend	trans	-144.6	172.1	172.1	-163.4	-3.7	0	0	0	107.7	G580 H599 A603 L620 D621	G580-D601 WeakPolarHBondContact CA-O 3.3Å; H599-D601 WeakPolarHBondContact CB-O 3.2Å; D601-A603 PolarHBondContact O-N 3.16Å; D601-L620 HydrophobicContact CB-CB 4.01Å; D601-D621 HydrophobicContact CB-CB 4.22Å
602	G	96.1	Very high	95.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.265	C	S	.	.			trans	-46.2	131.6	-171.8	0	0	0	0	0	114.5	S604 L620	G602-S604 PolarHBondContact O-N 2.8Å; G602-L620 WeakPolarHBondContact O-CG 3.2Å; G602-L620 PolarHBondContact O-N 2.84Å
603	A	98.1	Very high	95.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	119.5	173.1	0	0	0	0	0	108.7	Y562 C576 C577 I582 D601	Y562-A603 WeakPolarHBondContact CD2-O 3.45Å; C576-A603 HydrophobicContact CB-CB 3.69Å; C576-A603 VanDerWaalsContact CB-O 3.26Å; C576-A603 WeakPolarHBondContact CB-O 3.33Å; C577-A603 PolarHBondContact O-N 2.64Å; C577-A603 VanDerWaalsContact O-N 3.11Å; I582-A603 HydrophobicContact CD1-CB 3.39Å; D601-A603 PolarHBondContact O-N 3.16Å
604	S	97.9	Very high	95.2	Very high	17 Å²	17	46.5 Å²	46.5	12%	0.119	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-36.1	-168.5	64	0	0	0	0	113.3	A563 G602 G618 I644	A563-S604 WeakPolarHBondContact CB-O 3.27Å; G602-S604 PolarHBondContact O-N 2.8Å; S604-G618 PolarHBondContact N-O 3.08Å; S604-G618 PolarHBondContact OG-O 2.94Å; S604-G618 VanDerWaalsContact OG-O 3.11Å; S604-I644 VanDerWaalsContact CB-O 3.31Å; S604-I644 WeakPolarHBondContact CB-O 3.48Å; S604-I644 PolarHBondContact OG-O 2.78Å
605	C	98.2	Very high	95.4	Very high	10 Å²	10	41.8 Å²	41.8	7%	0.068	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.9	-172.3	56.2	0	0	0	0	112.7	T617 G618 L647	C605-T617 WeakPolarHBondContact O-CA 3.37Å; C605-G618 PolarHBondContact N-O 2.93Å; C605-G618 PolarHBondContact O-N 3.13Å; C605-L647 HydrophobicContact CB-CG 4.24Å
606	I	98.4	Very high	95.6	Very high	17 Å²	17	38.4 Å²	38.4	9%	0.087	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	142.2	-169.9	-174.2	163.4	0	0	0	112.5	A563 A565 F574 C576 I582 L615 W616 T617	A563-I606 HydrophobicContact CB-CG2 3.75Å; A565-I606 HydrophobicContact CB-CD1 4.23Å; A565-I606 HydrophobicContact CB-CG1 3.94Å; A565-I606 HydrophobicContact CB-CG2 4.01Å; F574-I606 HydrophobicContact CB-CD1 3.53Å; F574-I606 HydrophobicContact CG-CD1 4.46Å; C576-I606 WeakPolarHBondContact SG-CB 3.41Å; I582-I606 HydrophobicContact CG2-CD1 3.83Å; I606-L615 HydrophobicContact CD1-CD1 3.89Å; I606-L615 HydrophobicContact CD1-CD2 4.02Å; I606-L615 HydrophobicContact CD1-CG 4.06Å; I606-L615 HydrophobicContact CG1-CD1 3.87Å; I606-L615 HydrophobicContact CG1-CG 4.16Å; I606-W616 VanDerWaalsContact CA-O 3.28Å; I606-W616 WeakPolarHBondContact CA-O 3.45Å; I606-T617 HydrophobicContact CB-CG2 4.23Å; I606-T617 HydrophobicContact CD1-CG2 3.94Å; I606-T617 HydrophobicContact CG1-CG2 3.88Å
607	D	97.9	Very high	95.7	Very high	52 Å²	52	38.2 Å²	38.2	28%	0.278	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	166.2	169.3	-154.7	-1.3	0	0	0	111.2	W616 L647 Y649	D607-W616 PolarHBondContact N-O 3.47Å; D607-W616 PolarHBondContact O-N 2.97Å; D607-L647 HydrophobicContact CB-CD1 3.61Å; D607-Y649 PolarHBondContact OD2-N 3.43Å
608	I	96.4	Very high	95.9	Very high	17 Å²	17	31.7 Å²	31.7	9%	0.087	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.1	-177.7	-56	176.4	0	0	0	109.2	A565 I566 F574 L615 L629	A565-I608 HydrophobicContact CB-CD1 4.27Å; A565-I608 HydrophobicContact CB-CG1 4.21Å; I566-I608 VanDerWaalsContact O-CD1 3.28Å; I566-I608 WeakPolarHBondContact O-CD1 3.28Å; F574-I608 HydrophobicContact CD2-CD1 3.94Å; F574-I608 HydrophobicContact CE2-CD1 3.72Å; I608-L615 HydrophobicContact CG1-CD1 3.71Å; I608-L629 HydrophobicContact CG2-CD1 4.21Å
609	S	95.4	Very high	96.3	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.028	17%	0.174	C	C	.	.			trans	-60.5	152.1	174	58.2	0	0	0	0	112.3	D611 G612 T613 K614	S609-D611 WeakPolarHBondContact CB-OD1 3.22Å; S609-D611 PolarHBondContact O-N 2.97Å; S609-D611 PolarHBondContact OG-OD1 3.47Å; S609-G612 WeakPolarHBondContact O-CA 3.23Å; S609-G612 PolarHBondContact O-N 2.84Å; S609-T613 PolarHBondContact OG-N 3.45Å; S609-K614 PolarHBondContact N-O 3.12Å; S609-K614 PolarHBondContact OG-N 3.46Å; S609-K614 PolarHBondContact OG-O 2.86Å
610	N	92.3	Very high	96.3	Very high	85 Å²	85	31.8 Å²	31.8	46%	0.455	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.5	179.6	65.8	-35.4	0	0	0	114.2	G612 Y649 P651 G653	N610-G612 VanDerWaalsContact C-N 3.32Å; N610-Y649 HydrophobicContact CB-CD1 4.48Å; N610-Y649 HydrophobicContact CB-CE1 3.9Å; N610-Y649 WeakPolarHBondContact OD1-CE1 3.49Å; N610-Y649 PolarHBondContact OD1-OH 2.75Å; N610-Y649 VanDerWaalsContact OD1-OH 3.13Å; N610-P651 VanDerWaalsContact CB-O 3.25Å; N610-P651 WeakPolarHBondContact CB-O 3.42Å; N610-G653 PolarHBondContact ND2-N 3.06Å
611	D	91	Very high	96.4	Very high	83 Å²	83	27 Å²	27	44%	0.444	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-8.2	173.1	65.6	15.2	0	0	0	114	S609 T613 K614	S609-D611 WeakPolarHBondContact CB-OD1 3.22Å; S609-D611 PolarHBondContact O-N 2.97Å; S609-D611 PolarHBondContact OG-OD1 3.47Å; D611-T613 HydrophobicContact CB-CG2 4.28Å; D611-T613 PolarHBondContact O-N 3.32Å; D611-T613 WeakPolarHBondContact OD1-CB 3.13Å; D611-T613 PolarHBondContact OD1-N 3.03Å; D611-T613 PolarHBondContact OD1-OG1 3.1Å; D611-T613 PolarHBondContact OD2-OG1 2.9Å; D611-K614 IonicContact OD2-NZ 3.22Å; D611-K614 PolarHBondContact OD2-NZ 2.85Å
612	G	91.6	Very high	96.5	Very high	26 Å²	26	25.9 Å²	25.9	27%	0.268	15%	0.145	S	C	.	.	S	Bend	trans	70.6	10.7	-177.6	0	0	0	0	0	115.1	S609 N610 L629	S609-G612 WeakPolarHBondContact O-CA 3.23Å; S609-G612 PolarHBondContact O-N 2.84Å; N610-G612 VanDerWaalsContact C-N 3.32Å; G612-L629 WeakPolarHBondContact O-CD1 3.44Å
613	T	93.2	Very high	96.6	Very high	58 Å²	58	26.2 Å²	26.2	36%	0.356	15%	0.148	S	C	.	.	S	Bend	trans	-96.3	-23.6	-175.1	68.1	0	0	0	0	114.3	S609 D611 L629	S609-T613 PolarHBondContact OG-N 3.45Å; D611-T613 HydrophobicContact CB-CG2 4.28Å; D611-T613 PolarHBondContact O-N 3.32Å; D611-T613 WeakPolarHBondContact OD1-CB 3.13Å; D611-T613 PolarHBondContact OD1-N 3.03Å; D611-T613 PolarHBondContact OD1-OG1 3.1Å; D611-T613 PolarHBondContact OD2-OG1 2.9Å; T613-L629 WeakPolarHBondContact O-CB 3.48Å; T613-L629 PolarHBondContact O-N 3.01Å
614	K	95.3	Very high	96.6	Very high	63 Å²	63	26.3 Å²	26.3	27%	0.274	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.8	-175	-60.7	169.1	-157.9	65.3	0	111.3	S609 D611 W627 L635	S609-K614 PolarHBondContact N-O 3.12Å; S609-K614 PolarHBondContact OG-N 3.46Å; S609-K614 PolarHBondContact OG-O 2.86Å; D611-K614 IonicContact OD2-NZ 3.22Å; D611-K614 PolarHBondContact OD2-NZ 2.85Å; K614-W627 CarbonylContact C-O 3.59Å; K614-W627 WeakPolarHBondContact CA-O 3.15Å; K614-L635 HydrophobicContact CD-CD1 4.14Å; K614-L635 HydrophobicContact CG-CD1 4.01Å
615	L	97.5	Very high	96.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.3	169.2	-160.1	63	0	0	0	108.4	F574 I582 F596 I606 I608 T617 S626 W627 L629	F574-L615 HydrophobicContact CB-CD1 4.48Å; F574-L615 HydrophobicContact CD1-CD1 4.13Å; F574-L615 HydrophobicContact CD1-CD2 3.68Å; F574-L615 HydrophobicContact CD2-CD1 4.17Å; F574-L615 HydrophobicContact CE1-CD1 4.46Å; F574-L615 HydrophobicContact CE1-CD2 4.17Å; F574-L615 HydrophobicContact CE2-CD1 4.48Å; F574-L615 HydrophobicContact CG-CD1 4Å; F574-L615 HydrophobicContact CG-CD2 4.21Å; I582-L615 HydrophobicContact CG2-CD2 4.02Å; F596-L615 HydrophobicContact CD2-CD2 4.25Å; F596-L615 HydrophobicContact CE2-CD2 3.98Å; I606-L615 HydrophobicContact CD1-CD1 3.89Å; I606-L615 HydrophobicContact CD1-CD2 4.02Å; I606-L615 HydrophobicContact CD1-CG 4.06Å; I606-L615 HydrophobicContact CG1-CD1 3.87Å; I606-L615 HydrophobicContact CG1-CG 4.16Å; I608-L615 HydrophobicContact CG1-CD1 3.71Å; L615-T617 HydrophobicContact CD2-CG2 4.44Å; L615-T617 HydrophobicContact CG-CG2 4.33Å; L615-S626 CarbonylContact O-C 3.57Å; L615-S626 VanDerWaalsContact O-CA 3.26Å; L615-S626 WeakPolarHBondContact O-CA 3.03Å; L615-W627 HydrophobicContact CB-CB 4.1Å; L615-W627 HydrophobicContact CB-CG 4.4Å; L615-W627 PolarHBondContact N-O 2.98Å; L615-W627 PolarHBondContact O-N 3.39Å; L615-L629 HydrophobicContact CB-CD2 3.81Å; L615-L629 HydrophobicContact CB-CG 4.21Å; L615-L629 HydrophobicContact CD1-CD2 4.39Å; L615-L629 HydrophobicContact CD2-CD2 4.18Å; L615-L629 HydrophobicContact CG-CD2 4.38Å
616	W	98.1	Very high	96.5	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.5	171.9	-70.8	87.1	0	0	0	109.1	I606 D607 V624 R625 Q636 L647 Y649 I656 C670	I606-W616 VanDerWaalsContact CA-O 3.28Å; I606-W616 WeakPolarHBondContact CA-O 3.45Å; D607-W616 PolarHBondContact N-O 3.47Å; D607-W616 PolarHBondContact O-N 2.97Å; W616-V624 HydrophobicContact CE3-CG1 3.91Å; W616-V624 HydrophobicContact CZ3-CG1 4.32Å; W616-R625 WeakPolarHBondContact CA-O 3.45Å; W616-Q636 VanDerWaalsContact CH2-OE1 3.25Å; W616-L647 HydrophobicContact CB-CD1 4.28Å; W616-Y649 AromaticContact CD1-CD2 3.61Å; W616-Y649 HydrophobicContact CG-CD2 4.39Å; W616-Y649 AromaticContact NE1-CD2 3.45Å; W616-Y649 AromaticContact NE1-CE2 3.51Å; W616-I656 HydrophobicContact CB-CD1 3.79Å; W616-I656 HydrophobicContact CD2-CD1 3.61Å; W616-I656 HydrophobicContact CE3-CD1 3.45Å; W616-I656 VanDerWaalsContact CE3-CD1 3.45Å; W616-I656 HydrophobicContact CG-CD1 3.78Å; W616-I656 HydrophobicContact CZ3-CD1 4.21Å; W616-I656 HydrophobicContact CZ3-CG2 4.45Å; W616-C670 HydrophobicContact CZ2-CB 4.14Å
617	T	98.5	Very high	96.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.1	-179	58.6	0	0	0	0	111.3	I582 H599 C605 I606 L615 V624 R625 W627 L647	I582-T617 HydrophobicContact CD1-CG2 3.73Å; I582-T617 HydrophobicContact CG1-CG2 3.99Å; H599-T617 WeakPolarHBondContact NE2-CB 3.3Å; H599-T617 PolarHBondContact NE2-OG1 3.25Å; C605-T617 WeakPolarHBondContact O-CA 3.37Å; I606-T617 HydrophobicContact CB-CG2 4.23Å; I606-T617 HydrophobicContact CD1-CG2 3.94Å; I606-T617 HydrophobicContact CG1-CG2 3.88Å; L615-T617 HydrophobicContact CD2-CG2 4.44Å; L615-T617 HydrophobicContact CG-CG2 4.33Å; T617-V624 CarbonylContact O-C 3.55Å; T617-V624 VanDerWaalsContact O-CA 3.31Å; T617-V624 WeakPolarHBondContact O-CA 3.23Å; T617-R625 PolarHBondContact N-O 2.78Å; T617-R625 PolarHBondContact O-N 3.45Å; T617-W627 PolarHBondContact OG1-NE1 2.78Å; T617-L647 VanDerWaalsContact C-CD2 3.46Å
618	G	98.3	Very high	96.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.9	173.1	0	0	0	0	0	110	S604 C605 T623 L647	S604-G618 PolarHBondContact N-O 3.08Å; S604-G618 PolarHBondContact OG-O 2.94Å; S604-G618 VanDerWaalsContact OG-O 3.11Å; C605-G618 PolarHBondContact N-O 2.93Å; C605-G618 PolarHBondContact O-N 3.13Å; G618-T623 WeakPolarHBondContact CA-O 3.42Å; G618-L647 VanDerWaalsContact N-CD2 3.3Å
619	G	97.5	Very high	96.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	162.9	-178	0	0	0	0	0	114.1	H599 D621 N622 T623 I644	H599-G619 PolarHBondContact CE1-N 2.96Å; G619-D621 PolarHBondContact O-N 2.89Å; G619-N622 PolarHBondContact O-N 3.15Å; G619-T623 PolarHBondContact N-O 3Å; G619-I644 PolarHBondContact O-N 3.32Å
620	L	98	Very high	96	Very high	36 Å²	36	35.8 Å²	35.8	19%	0.188	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-7.2	164.4	-56.9	-178.5	0	0	0	112.1	D601 G602 N622 Q643 F645	D601-L620 HydrophobicContact CB-CB 4.01Å; G602-L620 WeakPolarHBondContact O-CG 3.2Å; G602-L620 PolarHBondContact O-N 2.84Å; L620-N622 PolarHBondContact O-N 3.43Å; L620-Q643 HydrophobicContact CD2-CB 4.3Å; L620-Q643 PolarHBondContact O-NE2 2.88Å; L620-F645 HydrophobicContact CD2-CD1 3.92Å; L620-F645 HydrophobicContact CD2-CE1 3.68Å
621	D	97.9	Very high	95.9	Very high	24 Å²	24	37.3 Å²	37.3	13%	0.128	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	14.4	170.8	74.3	-20.7	0	0	0	113.9	H599 T600 D601 G619 T623 R625	H599-D621 VanDerWaalsContact CA-OD2 3.23Å; H599-D621 WeakPolarHBondContact CA-OD2 3.5Å; H599-D621 IonicContact CE1-OD1 3.68Å; H599-D621 IonicContact CG-OD1 3.87Å; H599-D621 IonicContact CG-OD2 2.64Å; H599-D621 IonicContact ND1-OD1 3.36Å; H599-D621 PolarHBondContact ND1-OD1 3.43Å; H599-D621 IonicContact ND1-OD2 3.16Å; H599-D621 PolarHBondContact ND1-OD2 3.13Å; T600-D621 PolarHBondContact N-OD2 3.06Å; T600-D621 VanDerWaalsContact N-OD2 3.17Å; T600-D621 WeakPolarHBondContact OG1-CB 3.32Å; D601-D621 HydrophobicContact CB-CB 4.22Å; G619-D621 PolarHBondContact O-N 2.89Å; D621-T623 PolarHBondContact O-N 3.47Å; D621-T623 PolarHBondContact OD1-N 2.95Å; D621-T623 VanDerWaalsContact OD1-N 3.16Å; D621-T623 PolarHBondContact OD1-OG1 2.78Å; D621-T623 PolarHBondContact OD2-OG1 3.28Å; D621-R625 IonicContact OD2-CZ 3.92Å; D621-R625 IonicContact OD2-NE 3.66Å; D621-R625 IonicContact OD2-NH2 2.81Å; D621-R625 PolarHBondContact OD2-NH2 3.18Å
622	N	98.1	Very high	95.9	Very high	50 Å²	50	34.5 Å²	34.5	27%	0.267	17%	0.173	S	C	.	.	S	Bend	trans	59.9	17.6	-176	-52.8	-10.9	0	0	0	114.8	G619 L620 F640 S642 Q643	G619-N622 PolarHBondContact O-N 3.15Å; L620-N622 PolarHBondContact O-N 3.43Å; N622-F640 WeakPolarHBondContact CB-O 3.34Å; N622-F640 WeakPolarHBondContact O-CB 3.23Å; N622-F640 PolarHBondContact O-N 2.8Å; N622-S642 VanDerWaalsContact CG-C 3.43Å; N622-S642 PolarHBondContact OD1-O 3.1Å; N622-Q643 VanDerWaalsContact OD1-CA 3.28Å; N622-Q643 WeakPolarHBondContact OD1-CA 3.31Å; N622-Q643 WeakPolarHBondContact OD1-CG 3.46Å; N622-Q643 PolarHBondContact OD1-N 3.04Å; N622-Q643 VanDerWaalsContact OD1-N 3.08Å
623	T	98.2	Very high	95.9	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.043	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	148.2	179.1	72.7	0	0	0	0	112.9	H599 G618 G619 D621 R625 Q637 H638 D639	H599-T623 PolarHBondContact CE1-O 2.97Å; H599-T623 PolarHBondContact CE1-OG1 3.28Å; H599-T623 VanDerWaalsContact CE1-OG1 3.28Å; H599-T623 PolarHBondContact ND1-OG1 2.73Å; G618-T623 WeakPolarHBondContact CA-O 3.42Å; G619-T623 PolarHBondContact N-O 3Å; D621-T623 PolarHBondContact O-N 3.47Å; D621-T623 PolarHBondContact OD1-N 2.95Å; D621-T623 VanDerWaalsContact OD1-N 3.16Å; D621-T623 PolarHBondContact OD1-OG1 2.78Å; D621-T623 PolarHBondContact OD2-OG1 3.28Å; T623-R625 PolarHBondContact OG1-NE 3.48Å; T623-Q637 HydrophobicContact CG2-CG 4.25Å; T623-H638 CarbonylContact C-O 3.57Å; T623-H638 WeakPolarHBondContact CA-O 3.42Å; T623-D639 WeakPolarHBondContact CG2-OD1 3.37Å
624	V	98.2	Very high	96.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128	157.5	176.5	0	0	0	0	108.3	W616 T617 Q637 H638 F640 I644 L647 I656 V658	W616-V624 HydrophobicContact CE3-CG1 3.91Å; W616-V624 HydrophobicContact CZ3-CG1 4.32Å; T617-V624 CarbonylContact O-C 3.55Å; T617-V624 VanDerWaalsContact O-CA 3.31Å; T617-V624 WeakPolarHBondContact O-CA 3.23Å; V624-Q637 CarbonylContact O-C 3.49Å; V624-Q637 WeakPolarHBondContact O-CA 3.08Å; V624-H638 HydrophobicContact CB-CB 4.46Å; V624-H638 PolarHBondContact N-O 3.4Å; V624-H638 PolarHBondContact O-N 3.26Å; V624-F640 HydrophobicContact CB-CE2 3.85Å; V624-F640 HydrophobicContact CG2-CD2 4.27Å; V624-F640 HydrophobicContact CG2-CE2 3.55Å; V624-F640 HydrophobicContact CG2-CZ 4.14Å; V624-I644 HydrophobicContact CG2-CD1 4.27Å; V624-I644 HydrophobicContact CG2-CG1 3.98Å; V624-I644 HydrophobicContact CG2-CG2 4.21Å; V624-L647 HydrophobicContact CG1-CD2 4.41Å; V624-I656 HydrophobicContact CG1-CD1 4.23Å; V624-V658 HydrophobicContact CG2-CG1 3.88Å; V624-V658 HydrophobicContact CG2-CG2 4.07Å
625	R	97.9	Very high	96	Very high	18 Å²	18	40.6 Å²	40.6	7%	0.068	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.8	-177.1	-64.2	172	-169.6	-119.9	8.1	110.2	G598 H599 W616 T617 D621 T623 W627 Q634 Q636 Q637	G598-R625 VanDerWaalsContact C-NH1 3.26Å; G598-R625 PolarHBondContact O-NH1 3.19Å; G598-R625 PolarHBondContact O-NH2 3.07Å; H599-R625 PolarHBondContact ND1-NE 2.79Å; W616-R625 WeakPolarHBondContact CA-O 3.45Å; T617-R625 PolarHBondContact N-O 2.78Å; T617-R625 PolarHBondContact O-N 3.45Å; D621-R625 IonicContact OD2-CZ 3.92Å; D621-R625 IonicContact OD2-NE 3.66Å; D621-R625 IonicContact OD2-NH2 2.81Å; D621-R625 PolarHBondContact OD2-NH2 3.18Å; T623-R625 PolarHBondContact OG1-NE 3.48Å; R625-W627 HydrophobicContact CB-CZ2 3.88Å; R625-W627 HydrophobicContact CG-CZ2 4.46Å; R625-Q634 HydrophobicContact CB-CG 4.49Å; R625-Q636 WeakPolarHBondContact CA-O 3.44Å; R625-Q637 HydrophobicContact CG-CG 4.21Å
626	S	97	Very high	95.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	145	168.1	74	0	0	0	0	110.6	L615 Q634 L635 Q636	L615-S626 CarbonylContact O-C 3.57Å; L615-S626 VanDerWaalsContact O-CA 3.26Å; L615-S626 WeakPolarHBondContact O-CA 3.03Å; S626-Q634 CarbonylContact O-C 3.54Å; S626-Q634 WeakPolarHBondContact O-CA 3.5Å; S626-L635 PolarHBondContact O-N 2.92Å; S626-Q636 PolarHBondContact N-O 2.96Å; S626-Q636 VanDerWaalsContact OG-CB 3.3Å; S626-Q636 WeakPolarHBondContact OG-CB 3.26Å; S626-Q636 PolarHBondContact OG-N 2.55Å; S626-Q636 PolarHBondContact OG-OE1 3.22Å
627	W	97.1	Very high	95.8	Very high	5 Å²	5	47.5 Å²	47.5	2%	0.019	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	140.8	-174.3	-43.7	82.3	0	0	0	110.7	F596 Q597 K614 L615 T617 R625 K633 Q634	F596-W627 HydrophobicContact CB-CD2 4.11Å; F596-W627 HydrophobicContact CB-CE3 3.82Å; F596-W627 HydrophobicContact CB-CH2 4.2Å; F596-W627 HydrophobicContact CB-CZ2 4.46Å; F596-W627 HydrophobicContact CB-CZ3 3.87Å; F596-W627 HydrophobicContact CD1-CB 4.06Å; F596-W627 AromaticContact CD1-CD2 3.95Å; F596-W627 HydrophobicContact CD1-CD2 3.95Å; F596-W627 AromaticContact CD1-CE3 3.56Å; F596-W627 HydrophobicContact CD1-CE3 3.56Å; F596-W627 HydrophobicContact CD1-CG 4.19Å; F596-W627 HydrophobicContact CD1-CZ3 4.3Å; F596-W627 HydrophobicContact CE1-CB 3.83Å; F596-W627 HydrophobicContact CE1-CE3 4.42Å; F596-W627 HydrophobicContact CE1-CG 4.43Å; F596-W627 HydrophobicContact CG-CD2 4.19Å; F596-W627 HydrophobicContact CG-CE3 4.03Å; F596-W627 HydrophobicContact CZ-CB 4.37Å; Q597-W627 WeakPolarHBondContact O-CH2 3.37Å; Q597-W627 WeakPolarHBondContact O-CZ3 3.45Å; K614-W627 CarbonylContact C-O 3.59Å; K614-W627 WeakPolarHBondContact CA-O 3.15Å; L615-W627 HydrophobicContact CB-CB 4.1Å; L615-W627 HydrophobicContact CB-CG 4.4Å; L615-W627 PolarHBondContact N-O 2.98Å; L615-W627 PolarHBondContact O-N 3.39Å; T617-W627 PolarHBondContact OG1-NE1 2.78Å; R625-W627 HydrophobicContact CB-CZ2 3.88Å; R625-W627 HydrophobicContact CG-CZ2 4.46Å; W627-K633 CarbonylContact C-O 3.59Å; W627-K633 VanDerWaalsContact CA-O 3.29Å; W627-K633 WeakPolarHBondContact CA-O 3.47Å; W627-Q634 HydrophobicContact CE3-CB 3.79Å; W627-Q634 HydrophobicContact CE3-CG 4.28Å; W627-Q634 HydrophobicContact CH2-CB 4.5Å; W627-Q634 HydrophobicContact CZ3-CB 3.75Å; W627-Q634 HydrophobicContact CZ3-CG 4.21Å
628	D	95.2	Very high	95.6	Very high	33 Å²	33	50.1 Å²	50.1	18%	0.176	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	118.4	169	-166.8	-69.7	0	0	0	109.8	R630 E631 G632 K633 L635	D628-R630 VanDerWaalsContact C-N 3.29Å; D628-R630 PolarHBondContact O-N 2.83Å; D628-R630 WeakPolarHBondContact OD1-CA 3.43Å; D628-R630 VanDerWaalsContact OD1-CB 3.28Å; D628-R630 WeakPolarHBondContact OD1-CB 3.4Å; D628-R630 PolarHBondContact OD1-N 3.42Å; D628-E631 HydrophobicContact CB-CB 4.15Å; D628-E631 PolarHBondContact OD1-N 2.88Å; D628-G632 WeakPolarHBondContact O-CA 3.48Å; D628-G632 PolarHBondContact O-N 3.13Å; D628-K633 PolarHBondContact N-O 2.93Å; D628-L635 HydrophobicContact CB-CD1 3.89Å; D628-L635 HydrophobicContact CB-CD2 4.09Å; D628-L635 HydrophobicContact CB-CG 3.97Å
629	L	93.5	Very high	95.5	Very high	36 Å²	36	55.8 Å²	55.8	19%	0.188	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.7	-178.3	-72.6	175.7	0	0	0	113	F574 R594 F596 I608 G612 T613 L615	F574-L629 HydrophobicContact CD1-CD2 4.34Å; F574-L629 HydrophobicContact CE1-CD2 3.36Å; F574-L629 HydrophobicContact CZ-CD1 4.24Å; F574-L629 HydrophobicContact CZ-CD2 3.51Å; R594-L629 PolarHBondContact NH1-O 3.05Å; F596-L629 HydrophobicContact CE2-CD2 4.29Å; F596-L629 HydrophobicContact CZ-CD2 4.01Å; I608-L629 HydrophobicContact CG2-CD1 4.21Å; G612-L629 WeakPolarHBondContact O-CD1 3.44Å; T613-L629 WeakPolarHBondContact O-CB 3.48Å; T613-L629 PolarHBondContact O-N 3.01Å; L615-L629 HydrophobicContact CB-CD2 3.81Å; L615-L629 HydrophobicContact CB-CG 4.21Å; L615-L629 HydrophobicContact CD1-CD2 4.39Å; L615-L629 HydrophobicContact CD2-CD2 4.18Å; L615-L629 HydrophobicContact CG-CD2 4.38Å
630	R	91.4	Very high	95.5	Very high	224 Å²	224	57 Å²	57	85%	0.845	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-58.9	178.1	-176.7	-178	-179.3	-177.8	-0.9	110.1	R594 D628 G632	R594-R630 PolarHBondContact NH1-O 2.85Å; R594-R630 PolarHBondContact NH2-O 3.41Å; D628-R630 VanDerWaalsContact C-N 3.29Å; D628-R630 PolarHBondContact O-N 2.83Å; D628-R630 WeakPolarHBondContact OD1-CA 3.43Å; D628-R630 VanDerWaalsContact OD1-CB 3.28Å; D628-R630 WeakPolarHBondContact OD1-CB 3.4Å; D628-R630 PolarHBondContact OD1-N 3.42Å; R630-G632 PolarHBondContact O-N 2.84Å
631	E	90.9	Very high	95.3	Very high	117 Å²	117	61.3 Å²	61.3	55%	0.547	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-28.5	-177.3	-65.7	-157.2	-170.9	0	0	113.7	D628 K633	D628-E631 HydrophobicContact CB-CB 4.15Å; D628-E631 PolarHBondContact OD1-N 2.88Å; E631-K633 HydrophobicContact CB-CD 4.42Å; E631-K633 HydrophobicContact CB-CG 4.34Å; E631-K633 IonicContact OE2-NZ 2.79Å; E631-K633 PolarHBondContact OE2-NZ 2.92Å
632	G	90.8	Very high	95.3	Very high	24 Å²	24	60.6 Å²	60.6	25%	0.247	30%	0.297	C	S	.	.			trans	83.5	19.2	-178.4	0	0	0	0	0	114.5	R594 D628 R630	R594-G632 VanDerWaalsContact NH1-CA 3.31Å; D628-G632 WeakPolarHBondContact O-CA 3.48Å; D628-G632 PolarHBondContact O-N 3.13Å; R630-G632 PolarHBondContact O-N 2.84Å
633	K	91.8	Very high	95.3	Very high	123 Å²	123	60.5 Å²	60.5	54%	0.535	30%	0.295	S	S	.	.			trans	-115.8	154.7	-173	-62.5	177.5	-169	153.2	0	112.5	W627 D628 E631	W627-K633 CarbonylContact C-O 3.59Å; W627-K633 VanDerWaalsContact CA-O 3.29Å; W627-K633 WeakPolarHBondContact CA-O 3.47Å; D628-K633 PolarHBondContact N-O 2.93Å; E631-K633 HydrophobicContact CB-CD 4.42Å; E631-K633 HydrophobicContact CB-CG 4.34Å; E631-K633 IonicContact OE2-NZ 2.79Å; E631-K633 PolarHBondContact OE2-NZ 2.92Å
634	Q	96.2	Very high	95.3	Very high	69 Å²	69	60.2 Å²	60.2	32%	0.322	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	136.6	166.6	-165.6	176.9	-63.8	0	0	109.7	R625 S626 W627	R625-Q634 HydrophobicContact CB-CG 4.49Å; S626-Q634 CarbonylContact O-C 3.54Å; S626-Q634 WeakPolarHBondContact O-CA 3.5Å; W627-Q634 HydrophobicContact CE3-CB 3.79Å; W627-Q634 HydrophobicContact CE3-CG 4.28Å; W627-Q634 HydrophobicContact CH2-CB 4.5Å; W627-Q634 HydrophobicContact CZ3-CB 3.75Å; W627-Q634 HydrophobicContact CZ3-CG 4.21Å
635	L	94.8	Very high	95.3	Very high	84 Å²	84	62.6 Å²	62.6	44%	0.44	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-48.7	179.4	-70.1	176.4	0	0	0	111.9	K614 S626 D628	K614-L635 HydrophobicContact CD-CD1 4.14Å; K614-L635 HydrophobicContact CG-CD1 4.01Å; S626-L635 PolarHBondContact O-N 2.92Å; D628-L635 HydrophobicContact CB-CD1 3.89Å; D628-L635 HydrophobicContact CB-CD2 4.09Å; D628-L635 HydrophobicContact CB-CG 3.97Å
636	Q	94.3	Very high	95.3	Very high	66 Å²	66	62 Å²	62	31%	0.308	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	156.1	-179.7	-57.9	160.9	-59.9	0	0	110.3	W616 R625 S626 C670	W616-Q636 VanDerWaalsContact CH2-OE1 3.25Å; R625-Q636 WeakPolarHBondContact CA-O 3.44Å; S626-Q636 PolarHBondContact N-O 2.96Å; S626-Q636 VanDerWaalsContact OG-CB 3.3Å; S626-Q636 WeakPolarHBondContact OG-CB 3.26Å; S626-Q636 PolarHBondContact OG-N 2.55Å; S626-Q636 PolarHBondContact OG-OE1 3.22Å; Q636-C670 PolarHBondContact NE2-O 3.24Å
637	Q	96	Very high	95.4	Very high	81 Å²	81	62.5 Å²	62.5	38%	0.379	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	136.6	169.3	-174	173.2	-48.2	0	0	108.2	T623 V624 R625 D639	T623-Q637 HydrophobicContact CG2-CG 4.25Å; V624-Q637 CarbonylContact O-C 3.49Å; V624-Q637 WeakPolarHBondContact O-CA 3.08Å; R625-Q637 HydrophobicContact CG-CG 4.21Å; Q637-D639 PolarHBondContact NE2-OD1 2.87Å
638	H	95.4	Very high	95.4	Very high	55 Å²	55	62.3 Å²	62.3	26%	0.255	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119	173.4	-61.5	-87.8	0	0	0	107.5	T623 V624 F640	T623-H638 CarbonylContact C-O 3.57Å; T623-H638 WeakPolarHBondContact CA-O 3.42Å; V624-H638 HydrophobicContact CB-CB 4.46Å; V624-H638 PolarHBondContact N-O 3.4Å; V624-H638 PolarHBondContact O-N 3.26Å; H638-F640 HydrophobicContact CB-CE2 3.64Å; H638-F640 HydrophobicContact CB-CZ 4.14Å; H638-F640 VanDerWaalsContact O-CD2 3.3Å; H638-F640 WeakPolarHBondContact O-CD2 3.49Å; H638-F640 WeakPolarHBondContact O-CE2 3.35Å
639	D	96.1	Very high	95.6	Very high	118 Å²	118	61.8 Å²	61.8	63%	0.631	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.7	-179.9	-51.4	-48.7	0	0	0	110	T623 Q637	T623-D639 WeakPolarHBondContact CG2-OD1 3.37Å; Q637-D639 PolarHBondContact NE2-OD1 2.87Å
640	F	96.4	Very high	95.8	Very high	25 Å²	25	60.1 Å²	60.1	11%	0.11	29%	0.291	C	S	.	.			trans	-120.2	170.5	-178.8	-63.2	-100.4	0	0	0	111.2	N622 V624 H638 I644 V658 M660 E666 L668	N622-F640 WeakPolarHBondContact CB-O 3.34Å; N622-F640 WeakPolarHBondContact O-CB 3.23Å; N622-F640 PolarHBondContact O-N 2.8Å; V624-F640 HydrophobicContact CB-CE2 3.85Å; V624-F640 HydrophobicContact CG2-CD2 4.27Å; V624-F640 HydrophobicContact CG2-CE2 3.55Å; V624-F640 HydrophobicContact CG2-CZ 4.14Å; H638-F640 HydrophobicContact CB-CE2 3.64Å; H638-F640 HydrophobicContact CB-CZ 4.14Å; H638-F640 VanDerWaalsContact O-CD2 3.3Å; H638-F640 WeakPolarHBondContact O-CD2 3.49Å; H638-F640 WeakPolarHBondContact O-CE2 3.35Å; F640-I644 HydrophobicContact CB-CD1 4.04Å; F640-I644 HydrophobicContact CD1-CD1 4.46Å; F640-I644 HydrophobicContact CD2-CD1 3.81Å; F640-I644 HydrophobicContact CE2-CD1 4.38Å; F640-I644 HydrophobicContact CG-CD1 3.86Å; F640-V658 HydrophobicContact CZ-CG1 4.41Å; F640-M660 HydrophobicContact CB-SD 4.19Å; F640-M660 HydrophobicContact CD1-SD 3.45Å; F640-M660 WeakPolarHBondContact CD1-SD 3.46Å; F640-M660 HydrophobicContact CE1-SD 4.11Å; F640-M660 HydrophobicContact CG-SD 4.07Å; F640-E666 HydrophobicContact CE1-CB 4.28Å; F640-E666 HydrophobicContact CE1-CG 4.07Å; F640-E666 WeakPolarHBondContact CE1-OE2 3.42Å; F640-L668 HydrophobicContact CE1-CD1 4.45Å; F640-L668 HydrophobicContact CE1-CD2 4.39Å; F640-L668 HydrophobicContact CZ-CD1 4.03Å; F640-L668 HydrophobicContact CZ-CD2 3.91Å
641	T	94.8	Very high	96	Very high	127 Å²	127	51.3 Å²	51.3	78%	0.779	26%	0.263	S	S	*	.	S	Bend	trans	-86.8	-6.4	-177.7	54.1	0	0	0	0	114.5
642	S	97.2	Very high	96.1	Very high	9 Å²	9	50.3 Å²	50.3	6%	0.063	27%	0.265	C	S	.	.	S	Bend	trans	-154.6	168.4	-174.2	62.8	0	0	0	0	111	N622 N662	N622-S642 VanDerWaalsContact CG-C 3.43Å; N622-S642 PolarHBondContact OD1-O 3.1Å; S642-N662 WeakPolarHBondContact OG-CB 3.36Å; S642-N662 PolarHBondContact OG-ND2 3.4Å; S642-N662 VanDerWaalsContact OG-ND2 3.12Å
643	Q	98.1	Very high	96.2	Very high	49 Å²	49	49.4 Å²	49.4	23%	0.229	26%	0.255	C	S	.	.			trans	-64.7	147	-175.7	-60.2	-168.6	-25.3	0	0	112.4	L620 N622 F645 M660 E661	L620-Q643 HydrophobicContact CD2-CB 4.3Å; L620-Q643 PolarHBondContact O-NE2 2.88Å; N622-Q643 VanDerWaalsContact OD1-CA 3.28Å; N622-Q643 WeakPolarHBondContact OD1-CA 3.31Å; N622-Q643 WeakPolarHBondContact OD1-CG 3.46Å; N622-Q643 PolarHBondContact OD1-N 3.04Å; N622-Q643 VanDerWaalsContact OD1-N 3.08Å; Q643-F645 HydrophobicContact CB-CD1 4.45Å; Q643-F645 HydrophobicContact CB-CE1 3.84Å; Q643-F645 HydrophobicContact CB-CZ 4.18Å; Q643-M660 WeakPolarHBondContact O-CA 3.21Å; Q643-E661 HydrophobicContact CB-CB 4.07Å; Q643-E661 PolarHBondContact N-OE2 3.49Å; Q643-E661 WeakPolarHBondContact O-CB 3.33Å; Q643-E661 PolarHBondContact O-N 3.49Å
644	I	98.5	Very high	96.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.7	173.3	-46.3	-53.6	0	0	0	108	S604 G619 V624 F640 V658 M660	S604-I644 VanDerWaalsContact CB-O 3.31Å; S604-I644 WeakPolarHBondContact CB-O 3.48Å; S604-I644 PolarHBondContact OG-O 2.78Å; G619-I644 PolarHBondContact O-N 3.32Å; V624-I644 HydrophobicContact CG2-CD1 4.27Å; V624-I644 HydrophobicContact CG2-CG1 3.98Å; V624-I644 HydrophobicContact CG2-CG2 4.21Å; F640-I644 HydrophobicContact CB-CD1 4.04Å; F640-I644 HydrophobicContact CD1-CD1 4.46Å; F640-I644 HydrophobicContact CD2-CD1 3.81Å; F640-I644 HydrophobicContact CE2-CD1 4.38Å; F640-I644 HydrophobicContact CG-CD1 3.86Å; I644-V658 HydrophobicContact CD1-CG1 3.86Å; I644-V658 HydrophobicContact CG2-CG1 3.65Å; I644-M660 HydrophobicContact CD1-CG 3.84Å; I644-M660 HydrophobicContact CD1-SD 4.17Å
645	F	98.3	Very high	96.2	Very high	52 Å²	52	46.9 Å²	46.9	23%	0.228	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-28	177.1	-66.2	-31.1	0	0	0	113.1	L620 Q643 G659 E661 C684 V685 L686	L620-F645 HydrophobicContact CD2-CD1 3.92Å; L620-F645 HydrophobicContact CD2-CE1 3.68Å; Q643-F645 HydrophobicContact CB-CD1 4.45Å; Q643-F645 HydrophobicContact CB-CE1 3.84Å; Q643-F645 HydrophobicContact CB-CZ 4.18Å; F645-G659 PolarHBondContact N-O 2.93Å; F645-E661 HydrophobicContact CD2-CB 4.25Å; F645-E661 HydrophobicContact CE2-CB 3.58Å; F645-E661 HydrophobicContact CE2-CG 3.97Å; F645-E661 HydrophobicContact CZ-CB 3.84Å; F645-E661 HydrophobicContact CZ-CG 4.05Å; F645-C684 HydrophobicContact CD2-CB 3.89Å; F645-C684 HydrophobicContact CE2-CB 3.73Å; F645-V685 WeakPolarHBondContact CB-O 3.41Å; F645-L686 HydrophobicContact CD2-CD2 4.36Å
646	S	98.3	Very high	96.3	Very high	5 Å²	5	43 Å²	43	4%	0.035	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	150.7	178	55.3	0	0	0	0	112.2	G659 V685	S646-G659 PolarHBondContact N-O 2.99Å; S646-G659 VanDerWaalsContact N-O 3.13Å; S646-G659 PolarHBondContact O-N 2.86Å; S646-V685 PolarHBondContact OG-O 2.84Å; S646-V685 VanDerWaalsContact OG-O 3.12Å
647	L	98.3	Very high	96.5	Very high	10 Å²	10	39.9 Å²	39.9	5%	0.052	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	162	167.8	69.1	79.7	0	0	0	109.9	C605 D607 W616 T617 G618 V624 I656 A657 V658	C605-L647 HydrophobicContact CB-CG 4.24Å; D607-L647 HydrophobicContact CB-CD1 3.61Å; W616-L647 HydrophobicContact CB-CD1 4.28Å; T617-L647 VanDerWaalsContact C-CD2 3.46Å; G618-L647 VanDerWaalsContact N-CD2 3.3Å; V624-L647 HydrophobicContact CG1-CD2 4.41Å; L647-I656 HydrophobicContact CD1-CD1 4.27Å; L647-I656 HydrophobicContact CD2-CD1 4.45Å; L647-A657 CarbonylContact C-O 3.55Å; L647-A657 WeakPolarHBondContact CA-O 3.32Å; L647-V658 HydrophobicContact CB-CG2 4.47Å
648	G	98.1	Very high	96.6	Very high	2 Å²	2	36 Å²	36	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	139	169.2	0	0	0	0	0	110.4	I656 A657 F690	G648-I656 WeakPolarHBondContact O-CA 3.23Å; G648-I656 WeakPolarHBondContact O-CG1 3.36Å; G648-A657 PolarHBondContact N-O 2.83Å; G648-A657 PolarHBondContact O-N 3.44Å; G648-F690 WeakPolarHBondContact O-CE2 3.32Å
649	Y	97.8	Very high	96.8	Very high	22 Å²	22	33.4 Å²	33.4	9%	0.086	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.9	174.4	-172.9	-84.9	0	0	0	109.2	D607 N610 W616 P651 C670	D607-Y649 PolarHBondContact OD2-N 3.43Å; N610-Y649 HydrophobicContact CB-CD1 4.48Å; N610-Y649 HydrophobicContact CB-CE1 3.9Å; N610-Y649 WeakPolarHBondContact OD1-CE1 3.49Å; N610-Y649 PolarHBondContact OD1-OH 2.75Å; N610-Y649 VanDerWaalsContact OD1-OH 3.13Å; W616-Y649 AromaticContact CD1-CD2 3.61Å; W616-Y649 HydrophobicContact CG-CD2 4.39Å; W616-Y649 AromaticContact NE1-CD2 3.45Å; W616-Y649 AromaticContact NE1-CE2 3.51Å; Y649-P651 WeakPolarHBondContact O-CD 3.35Å; Y649-C670 VanDerWaalsContact CE2-SG 3.58Å
650	C	97.6	Very high	96.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.			trans	-67.2	126.6	-178.4	-171.8	0	0	0	0	110.8	T652 G653 W655 F690 G694	C650-T652 PolarHBondContact O-N 3.41Å; C650-T652 VanDerWaalsContact O-N 3.11Å; C650-T652 PolarHBondContact SG-OG1 2.81Å; C650-G653 WeakPolarHBondContact O-CA 3.21Å; C650-G653 PolarHBondContact O-N 2.88Å; C650-W655 HydrophobicContact CB-CB 4.17Å; C650-W655 WeakPolarHBondContact CB-O 3.31Å; C650-W655 PolarHBondContact N-O 3.3Å; C650-F690 HydrophobicContact CB-CD1 4.06Å; C650-F690 HydrophobicContact CB-CE1 3.78Å; C650-F690 HydrophobicContact CB-CZ 4.08Å; C650-G694 PolarHBondContact SG-O 3.13Å
651	P	96	Very high	96.9	Very high	40 Å²	40	28.8 Å²	28.8	26%	0.26	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.2	-179.2	-30.2	37.8	0	0	0	115	N610 Y649 G653 F690	N610-P651 VanDerWaalsContact CB-O 3.25Å; N610-P651 WeakPolarHBondContact CB-O 3.42Å; Y649-P651 WeakPolarHBondContact O-CD 3.35Å; P651-G653 VanDerWaalsContact C-N 3.31Å; P651-F690 HydrophobicContact CG-CB 4.18Å
652	T	93.9	Very high	96.9	Very high	96 Å²	96	25.4 Å²	25.4	59%	0.589	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-6.8	173.3	51.7	0	0	0	0	113.6	C650	C650-T652 PolarHBondContact O-N 3.41Å; C650-T652 VanDerWaalsContact O-N 3.11Å; C650-T652 PolarHBondContact SG-OG1 2.81Å
653	G	92	Very high	96.9	Very high	4 Å²	4	26.2 Å²	26.2	4%	0.041	14%	0.137	C	C	.	.	S	Bend	trans	90.4	-166.5	-176.4	0	0	0	0	0	113.9	N610 C650 P651 W655	N610-G653 PolarHBondContact ND2-N 3.06Å; C650-G653 WeakPolarHBondContact O-CA 3.21Å; C650-G653 PolarHBondContact O-N 2.88Å; P651-G653 VanDerWaalsContact C-N 3.31Å; G653-W655 PolarHBondContact O-N 2.81Å
654	E	91.5	Very high	96.8	Very high	113 Å²	113	25.1 Å²	25.1	53%	0.528	13%	0.133	S	C	.	.	S	Bend	trans	64.8	-35.9	178.4	-56.1	-168.5	126	0	0	117.1	H669 C670	E654-H669 CarbonylContact O-C 3.59Å; E654-H669 WeakPolarHBondContact O-CA 3.28Å; E654-C670 VanDerWaalsContact C-SG 3.56Å; E654-C670 PolarHBondContact O-N 3.37Å; E654-C670 PolarHBondContact O-SG 3.3Å
655	W	96.8	Very high	96.8	Very high	27 Å²	27	25.1 Å²	25.1	10%	0.102	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.8	-169.6	-56.6	92.1	0	0	0	113.2	C650 G653 V667 L668 H669 Y676 P712	C650-W655 HydrophobicContact CB-CB 4.17Å; C650-W655 WeakPolarHBondContact CB-O 3.31Å; C650-W655 PolarHBondContact N-O 3.3Å; G653-W655 PolarHBondContact O-N 2.81Å; W655-V667 HydrophobicContact CB-CG1 4.2Å; W655-V667 HydrophobicContact CE3-CG1 4.01Å; W655-L668 WeakPolarHBondContact CA-O 3.24Å; W655-H669 AromaticContact CE2-CD2 3.8Å; W655-H669 HydrophobicContact CE3-CB 3.97Å; W655-H669 HydrophobicContact CH2-CB 4.03Å; W655-H669 AromaticContact CH2-CD2 3.68Å; W655-H669 AromaticContact CZ2-CD2 3.53Å; W655-H669 HydrophobicContact CZ3-CB 3.65Å; W655-Y676 HydrophobicContact CH2-CD2 4.36Å; W655-Y676 AromaticContact CH2-CE2 3.63Å; W655-Y676 HydrophobicContact CH2-CE2 3.63Å; W655-Y676 HydrophobicContact CZ2-CE2 4.48Å; W655-Y676 AromaticContact CZ3-CD2 3.99Å; W655-Y676 HydrophobicContact CZ3-CD2 3.99Å; W655-Y676 AromaticContact CZ3-CE2 3.72Å; W655-Y676 HydrophobicContact CZ3-CE2 3.72Å; W655-P712 HydrophobicContact CD2-CB 3.38Å; W655-P712 HydrophobicContact CD2-CG 4.12Å; W655-P712 VanDerWaalsContact CE2-CB 3.41Å; W655-P712 HydrophobicContact CE3-CB 3.74Å; W655-P712 HydrophobicContact CG-CB 3.79Å; W655-P712 HydrophobicContact CH2-CB 4.12Å; W655-P712 HydrophobicContact CH2-CG 4.11Å; W655-P712 HydrophobicContact CZ2-CB 3.79Å; W655-P712 HydrophobicContact CZ2-CG 3.59Å; W655-P712 HydrophobicContact CZ3-CB 4.09Å
656	I	97.7	Very high	96.7	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.1	167.1	-177.1	170.3	0	0	0	108.3	W616 V624 L647 G648 V658 V667 L668	W616-I656 HydrophobicContact CB-CD1 3.79Å; W616-I656 HydrophobicContact CD2-CD1 3.61Å; W616-I656 HydrophobicContact CE3-CD1 3.45Å; W616-I656 VanDerWaalsContact CE3-CD1 3.45Å; W616-I656 HydrophobicContact CG-CD1 3.78Å; W616-I656 HydrophobicContact CZ3-CD1 4.21Å; W616-I656 HydrophobicContact CZ3-CG2 4.45Å; V624-I656 HydrophobicContact CG1-CD1 4.23Å; L647-I656 HydrophobicContact CD1-CD1 4.27Å; L647-I656 HydrophobicContact CD2-CD1 4.45Å; G648-I656 WeakPolarHBondContact O-CA 3.23Å; G648-I656 WeakPolarHBondContact O-CG1 3.36Å; I656-V658 HydrophobicContact CG1-CG2 4.28Å; I656-V667 CarbonylContact O-C 3.53Å; I656-V667 WeakPolarHBondContact O-CA 3.38Å; I656-L668 HydrophobicContact CG2-CB 3.95Å; I656-L668 HydrophobicContact CG2-CD1 4.16Å; I656-L668 PolarHBondContact N-O 3.49Å; I656-L668 PolarHBondContact O-N 2.98Å
657	A	98.3	Very high	96.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	140.8	172.1	0	0	0	0	0	110	L647 G648 E666 V667 L688 F690 F697	L647-A657 CarbonylContact C-O 3.55Å; L647-A657 WeakPolarHBondContact CA-O 3.32Å; G648-A657 PolarHBondContact N-O 2.83Å; G648-A657 PolarHBondContact O-N 3.44Å; A657-E666 CarbonylContact C-O 3.53Å; A657-E666 VanDerWaalsContact CA-O 3.32Å; A657-E666 WeakPolarHBondContact CA-O 3.36Å; A657-V667 HydrophobicContact CB-CG1 4.5Å; A657-V667 HydrophobicContact CB-CG2 4.05Å; A657-L688 HydrophobicContact CB-CD1 3.66Å; A657-L688 HydrophobicContact CB-CD2 3.9Å; A657-L688 HydrophobicContact CB-CG 4.45Å; A657-F690 HydrophobicContact CB-CE2 3.63Å; A657-F690 HydrophobicContact CB-CZ 3.76Å; A657-F697 HydrophobicContact CB-CD2 4.45Å; A657-F697 HydrophobicContact CB-CE2 4.15Å; A657-F697 HydrophobicContact CB-CZ 4.27Å
658	V	98.5	Very high	96.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	118.4	-169	-178.5	0	0	0	0	108.4	V624 F640 I644 L647 I656 M660 V665 E666 L668	V624-V658 HydrophobicContact CG2-CG1 3.88Å; V624-V658 HydrophobicContact CG2-CG2 4.07Å; F640-V658 HydrophobicContact CZ-CG1 4.41Å; I644-V658 HydrophobicContact CD1-CG1 3.86Å; I644-V658 HydrophobicContact CG2-CG1 3.65Å; L647-V658 HydrophobicContact CB-CG2 4.47Å; I656-V658 HydrophobicContact CG1-CG2 4.28Å; V658-M660 HydrophobicContact CG1-CG 4.16Å; V658-V665 CarbonylContact O-C 3.5Å; V658-V665 VanDerWaalsContact O-CA 3.32Å; V658-V665 WeakPolarHBondContact O-CA 3.48Å; V658-E666 PolarHBondContact N-O 3.28Å; V658-E666 PolarHBondContact O-N 3.05Å; V658-L668 HydrophobicContact CB-CD1 4.23Å; V658-L668 HydrophobicContact CG2-CD1 3.5Å; V658-L668 VanDerWaalsContact CG2-CD1 3.5Å
659	G	98.2	Very high	96.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.9	176.5	0	0	0	0	0	111.3	F645 S646	F645-G659 PolarHBondContact N-O 2.93Å; S646-G659 PolarHBondContact N-O 2.99Å; S646-G659 VanDerWaalsContact N-O 3.13Å; S646-G659 PolarHBondContact O-N 2.86Å
660	M	97.8	Very high	96	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	163.3	-169.4	-60.6	-176.5	-62	0	0	113.1	F640 Q643 I644 V658 N662 N664 E666 V685	F640-M660 HydrophobicContact CB-SD 4.19Å; F640-M660 HydrophobicContact CD1-SD 3.45Å; F640-M660 WeakPolarHBondContact CD1-SD 3.46Å; F640-M660 HydrophobicContact CE1-SD 4.11Å; F640-M660 HydrophobicContact CG-SD 4.07Å; Q643-M660 WeakPolarHBondContact O-CA 3.21Å; I644-M660 HydrophobicContact CD1-CG 3.84Å; I644-M660 HydrophobicContact CD1-SD 4.17Å; V658-M660 HydrophobicContact CG1-CG 4.16Å; M660-N662 VanDerWaalsContact C-N 3.34Å; M660-N662 WeakPolarHBondContact CB-OD1 3.48Å; M660-N662 WeakPolarHBondContact CE-OD1 3.42Å; M660-N664 HydrophobicContact CE-CB 3.54Å; M660-N664 PolarHBondContact N-O 2.73Å; M660-N664 VanDerWaalsContact N-O 3.14Å; M660-E666 HydrophobicContact CE-CG 3.47Å; M660-E666 VanDerWaalsContact CE-CG 3.47Å; M660-E666 HydrophobicContact SD-CG 4.2Å; M660-V685 PolarHBondContact O-N 2.69Å
661	E	97.6	Very high	95.5	Very high	46 Å²	46	28 Å²	28	22%	0.215	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-40.7	172.9	174	-176.6	-131.3	0	0	113.1	Q643 F645 S663 C684	Q643-E661 HydrophobicContact CB-CB 4.07Å; Q643-E661 PolarHBondContact N-OE2 3.49Å; Q643-E661 WeakPolarHBondContact O-CB 3.33Å; Q643-E661 PolarHBondContact O-N 3.49Å; F645-E661 HydrophobicContact CD2-CB 4.25Å; F645-E661 HydrophobicContact CE2-CB 3.58Å; F645-E661 HydrophobicContact CE2-CG 3.97Å; F645-E661 HydrophobicContact CZ-CB 3.84Å; F645-E661 HydrophobicContact CZ-CG 4.05Å; E661-S663 PolarHBondContact O-N 2.9Å; E661-C684 WeakPolarHBondContact O-CA 3.45Å; E661-C684 PolarHBondContact O-SG 2.84Å; E661-C684 VanDerWaalsContact O-SG 3.32Å
662	N	95.3	Very high	95.3	Very high	56 Å²	56	31.1 Å²	31.1	30%	0.299	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	23.3	-178.6	70.7	4	0	0	0	115.1	S642 M660 N664	S642-N662 WeakPolarHBondContact OG-CB 3.36Å; S642-N662 PolarHBondContact OG-ND2 3.4Å; S642-N662 VanDerWaalsContact OG-ND2 3.12Å; M660-N662 VanDerWaalsContact C-N 3.34Å; M660-N662 WeakPolarHBondContact CB-OD1 3.48Å; M660-N662 WeakPolarHBondContact CE-OD1 3.42Å; N662-N664 PolarHBondContact O-N 2.84Å; N662-N664 VanDerWaalsContact O-N 3.08Å; N662-N664 WeakPolarHBondContact OD1-CB 3.18Å; N662-N664 PolarHBondContact OD1-N 3.36Å; N662-N664 VanDerWaalsContact OD1-N 3.13Å
663	S	96.4	Very high	95	Very high	25 Å²	25	31.3 Å²	31.3	18%	0.175	17%	0.172	C	C	.	.	S	Bend	trans	61.2	-1.1	-175.5	74.5	0	0	0	0	117.8	E661 H681 S683	E661-S663 PolarHBondContact O-N 2.9Å; S663-H681 WeakPolarHBondContact CB-O 2.98Å; S663-H681 WeakPolarHBondContact O-CB 3.13Å; S663-H681 PolarHBondContact OG-O 2.64Å; S663-S683 WeakPolarHBondContact CA-O 3.34Å; S663-S683 VanDerWaalsContact CB-C 3.5Å; S663-S683 WeakPolarHBondContact CB-O 3.34Å
664	N	96.2	Very high	94.8	Very high	27 Å²	27	32.7 Å²	32.7	14%	0.144	18%	0.179	C	C	.	.			trans	-84.7	148.8	178.2	-71.4	-2	0	0	0	112	M660 N662 H679	M660-N664 HydrophobicContact CE-CB 3.54Å; M660-N664 PolarHBondContact N-O 2.73Å; M660-N664 VanDerWaalsContact N-O 3.14Å; N662-N664 PolarHBondContact O-N 2.84Å; N662-N664 VanDerWaalsContact O-N 3.08Å; N662-N664 WeakPolarHBondContact OD1-CB 3.18Å; N662-N664 PolarHBondContact OD1-N 3.36Å; N662-N664 VanDerWaalsContact OD1-N 3.13Å; N664-H679 VanDerWaalsContact CG-CD2 3.49Å; N664-H679 PolarHBondContact ND2-CD2 3.18Å; N664-H679 PolarHBondContact ND2-NE2 3.23Å; N664-H679 PolarHBondContact OD1-CD2 3.15Å
665	V	97.3	Very high	94.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.4	162.3	-177.2	0	0	0	0	108.2	V658 L678 V685 L688 F697 W709	V658-V665 CarbonylContact O-C 3.5Å; V658-V665 VanDerWaalsContact O-CA 3.32Å; V658-V665 WeakPolarHBondContact O-CA 3.48Å; V665-L678 HydrophobicContact CB-CB 4.24Å; V665-L678 HydrophobicContact CB-CD1 4.34Å; V665-L678 HydrophobicContact CG1-CD1 4.3Å; V665-L678 PolarHBondContact N-O 2.86Å; V665-L678 VanDerWaalsContact N-O 3.15Å; V665-L678 PolarHBondContact O-N 3.47Å; V665-V685 HydrophobicContact CG2-CG1 4.06Å; V665-V685 HydrophobicContact CG2-CG2 3.98Å; V665-L688 HydrophobicContact CG1-CD1 3.99Å; V665-F697 HydrophobicContact CG1-CE2 4.15Å; V665-F697 HydrophobicContact CG1-CZ 4.5Å; V665-W709 HydrophobicContact CG2-CZ2 4.23Å
666	E	96.6	Very high	94.8	Very high	9 Å²	9	29.6 Å²	29.6	4%	0.042	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.8	168.6	-54.7	-145.2	167.1	0	0	111	F640 A657 V658 M660 L668 K675 Y676 Q677	F640-E666 HydrophobicContact CE1-CB 4.28Å; F640-E666 HydrophobicContact CE1-CG 4.07Å; F640-E666 WeakPolarHBondContact CE1-OE2 3.42Å; A657-E666 CarbonylContact C-O 3.53Å; A657-E666 VanDerWaalsContact CA-O 3.32Å; A657-E666 WeakPolarHBondContact CA-O 3.36Å; V658-E666 PolarHBondContact N-O 3.28Å; V658-E666 PolarHBondContact O-N 3.05Å; M660-E666 HydrophobicContact CE-CG 3.47Å; M660-E666 VanDerWaalsContact CE-CG 3.47Å; M660-E666 HydrophobicContact SD-CG 4.2Å; E666-L668 HydrophobicContact CB-CD1 4.11Å; E666-K675 IonicContact OE1-NZ 2.69Å; E666-K675 PolarHBondContact OE1-NZ 3.25Å; E666-K675 VanDerWaalsContact OE2-CD 3.3Å; E666-K675 WeakPolarHBondContact OE2-CD 3.22Å; E666-K675 VanDerWaalsContact OE2-CE 3.31Å; E666-K675 WeakPolarHBondContact OE2-CE 3.49Å; E666-K675 IonicContact OE2-NZ 3.68Å; E666-K675 PolarHBondContact OE2-NZ 2.83Å; E666-Y676 CarbonylContact C-O 3.4Å; E666-Y676 VanDerWaalsContact CA-O 3.25Å; E666-Y676 WeakPolarHBondContact CA-O 3.45Å; E666-Q677 HydrophobicContact CG-CG 4.09Å; E666-Q677 PolarHBondContact OE1-NE2 2.84Å
667	V	96.8	Very high	94.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	108	171.3	-169.7	0	0	0	0	108.2	W655 I656 A657 K675 Y676 L678 F697 P712	W655-V667 HydrophobicContact CB-CG1 4.2Å; W655-V667 HydrophobicContact CE3-CG1 4.01Å; I656-V667 CarbonylContact O-C 3.53Å; I656-V667 WeakPolarHBondContact O-CA 3.38Å; A657-V667 HydrophobicContact CB-CG1 4.5Å; A657-V667 HydrophobicContact CB-CG2 4.05Å; V667-K675 CarbonylContact O-C 3.51Å; V667-K675 VanDerWaalsContact O-CA 3.24Å; V667-K675 WeakPolarHBondContact O-CA 3.37Å; V667-Y676 PolarHBondContact N-O 2.76Å; V667-Y676 PolarHBondContact O-N 3.28Å; V667-L678 HydrophobicContact CG2-CD1 4.07Å; V667-F697 HydrophobicContact CG2-CE1 4.24Å; V667-F697 HydrophobicContact CG2-CZ 3.83Å; V667-P712 HydrophobicContact CG1-CB 4.25Å
668	L	95.7	Very high	94.4	Very high	15 Å²	15	30.9 Å²	30.9	8%	0.079	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	142	-174.5	-51.1	96.7	0	0	0	110.9	F640 W655 I656 V658 E666 K675	F640-L668 HydrophobicContact CE1-CD1 4.45Å; F640-L668 HydrophobicContact CE1-CD2 4.39Å; F640-L668 HydrophobicContact CZ-CD1 4.03Å; F640-L668 HydrophobicContact CZ-CD2 3.91Å; W655-L668 WeakPolarHBondContact CA-O 3.24Å; I656-L668 HydrophobicContact CG2-CB 3.95Å; I656-L668 HydrophobicContact CG2-CD1 4.16Å; I656-L668 PolarHBondContact N-O 3.49Å; I656-L668 PolarHBondContact O-N 2.98Å; V658-L668 HydrophobicContact CB-CD1 4.23Å; V658-L668 HydrophobicContact CG2-CD1 3.5Å; V658-L668 VanDerWaalsContact CG2-CD1 3.5Å; E666-L668 HydrophobicContact CB-CD1 4.11Å; L668-K675 HydrophobicContact CD2-CD 4.38Å; L668-K675 HydrophobicContact CG-CB 4.29Å
669	H	94.4	Very high	94.1	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.032	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.6	169.1	-165.7	-73	0	0	0	110.1	E654 W655 S671 K672 D674	E654-H669 CarbonylContact O-C 3.59Å; E654-H669 WeakPolarHBondContact O-CA 3.28Å; W655-H669 AromaticContact CE2-CD2 3.8Å; W655-H669 HydrophobicContact CE3-CB 3.97Å; W655-H669 HydrophobicContact CH2-CB 4.03Å; W655-H669 AromaticContact CH2-CD2 3.68Å; W655-H669 AromaticContact CZ2-CD2 3.53Å; W655-H669 HydrophobicContact CZ3-CB 3.65Å; H669-S671 PolarHBondContact CE1-OG 3Å; H669-S671 VanDerWaalsContact CE1-OG 3.23Å; H669-S671 PolarHBondContact ND1-N 2.94Å; H669-S671 PolarHBondContact ND1-OG 2.88Å; H669-S671 PolarHBondContact O-N 2.97Å; H669-K672 HydrophobicContact CB-CB 3.92Å; H669-K672 PolarHBondContact CE1-NZ 2.92Å; H669-K672 WeakPolarHBondContact ND1-CB 3.34Å; H669-K672 WeakPolarHBondContact ND1-CG 3.45Å; H669-K672 PolarHBondContact ND1-N 2.72Å; H669-K672 VanDerWaalsContact ND1-N 3.18Å; H669-K672 WeakPolarHBondContact NE2-CD 3.38Å; H669-K672 WeakPolarHBondContact NE2-CE 3.41Å; H669-K672 PolarHBondContact NE2-NZ 2.96Å; H669-K672 PolarHBondContact O-N 3.13Å; H669-D674 HydrophobicContact CB-CB 4.45Å; H669-D674 WeakPolarHBondContact CB-O 3.49Å; H669-D674 PolarHBondContact N-O 3.23Å
670	C	91.3	Very high	93.9	Very high	19 Å²	19	35.7 Å²	35.7	13%	0.128	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.8	-170.5	-60.2	0	0	0	0	114.5	W616 Q636 Y649 E654	W616-C670 HydrophobicContact CZ2-CB 4.14Å; Q636-C670 PolarHBondContact NE2-O 3.24Å; Y649-C670 VanDerWaalsContact CE2-SG 3.58Å; E654-C670 VanDerWaalsContact C-SG 3.56Å; E654-C670 PolarHBondContact O-N 3.37Å; E654-C670 PolarHBondContact O-SG 3.3Å
671	S	88.1	Confident	93.9	Very high	101 Å²	101	36.1 Å²	36.1	71%	0.706	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132.3	2	-177.7	61.7	0	0	0	0	115.8	H669	H669-S671 PolarHBondContact CE1-OG 3Å; H669-S671 VanDerWaalsContact CE1-OG 3.23Å; H669-S671 PolarHBondContact ND1-N 2.94Å; H669-S671 PolarHBondContact ND1-OG 2.88Å; H669-S671 PolarHBondContact O-N 2.97Å
672	K	90.1	Very high	93.8	Very high	105 Å²	105	39.5 Å²	39.5	46%	0.457	21%	0.211	S	C	.	.	S	Bend	trans	-126.3	153.2	-179.8	-63.7	173.3	-165.2	140.5	0	108.3	H669 D674	H669-K672 HydrophobicContact CB-CB 3.92Å; H669-K672 PolarHBondContact CE1-NZ 2.92Å; H669-K672 WeakPolarHBondContact ND1-CB 3.34Å; H669-K672 WeakPolarHBondContact ND1-CG 3.45Å; H669-K672 PolarHBondContact ND1-N 2.72Å; H669-K672 VanDerWaalsContact ND1-N 3.18Å; H669-K672 WeakPolarHBondContact NE2-CD 3.38Å; H669-K672 WeakPolarHBondContact NE2-CE 3.41Å; H669-K672 PolarHBondContact NE2-NZ 2.96Å; H669-K672 PolarHBondContact O-N 3.13Å; K672-D674 PolarHBondContact O-N 3.21Å
673	P	88.1	Confident	93.8	Very high	101 Å²	101	37.4 Å²	37.4	66%	0.656	20%	0.2	S	C	*	.	S	Bend	trans	-68.7	-12.4	176.8	29.3	-37.6	0	0	0	114.1	A437 K675	A437-P673 HydrophobicContact CB-CB 4.09Å; A437-P673 HydrophobicContact CB-CG 3.56Å; P673-K675 PolarHBondContact O-N 3.01Å
674	D	89	Confident	93.9	Very high	32 Å²	32	36.6 Å²	36.6	17%	0.171	20%	0.195	C	C	.	.			trans	-59.5	128.6	179.8	-78.5	5.6	0	0	0	112.4	R434 H669 K672	R434-D674 IonicContact CZ-OD2 2.86Å; R434-D674 IonicContact NE-OD2 3.44Å; R434-D674 IonicContact NH2-OD1 2.63Å; R434-D674 IonicContact NH2-OD2 3.15Å; R434-D674 PolarHBondContact NH2-OD2 3.11Å; H669-D674 HydrophobicContact CB-CB 4.45Å; H669-D674 WeakPolarHBondContact CB-O 3.49Å; H669-D674 PolarHBondContact N-O 3.23Å; K672-D674 PolarHBondContact O-N 3.21Å
675	K	93.2	Very high	94	Very high	55 Å²	55	35.3 Å²	35.3	24%	0.239	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	157.2	170.4	70.4	-176.5	-163.9	159.8	0	113	L435 E666 V667 L668 P673	L435-K675 HydrophobicContact CB-CG 3.83Å; L435-K675 HydrophobicContact CD1-CD 4.48Å; L435-K675 VanDerWaalsContact CD1-CE 3.43Å; L435-K675 HydrophobicContact CD1-CG 4.28Å; L435-K675 PolarHBondContact N-O 2.95Å; L435-K675 PolarHBondContact O-N 3.19Å; E666-K675 IonicContact OE1-NZ 2.69Å; E666-K675 PolarHBondContact OE1-NZ 3.25Å; E666-K675 VanDerWaalsContact OE2-CD 3.3Å; E666-K675 WeakPolarHBondContact OE2-CD 3.22Å; E666-K675 VanDerWaalsContact OE2-CE 3.31Å; E666-K675 WeakPolarHBondContact OE2-CE 3.49Å; E666-K675 IonicContact OE2-NZ 3.68Å; E666-K675 PolarHBondContact OE2-NZ 2.83Å; V667-K675 CarbonylContact O-C 3.51Å; V667-K675 VanDerWaalsContact O-CA 3.24Å; V667-K675 WeakPolarHBondContact O-CA 3.37Å; L668-K675 HydrophobicContact CD2-CD 4.38Å; L668-K675 HydrophobicContact CG-CB 4.29Å; P673-K675 PolarHBondContact O-N 3.01Å
676	Y	94	Very high	94	Very high	21 Å²	21	37.2 Å²	37.2	8%	0.082	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144	174	-60.5	-84.8	0	0	0	110.2	A433 R434 V444 W655 E666 V667 P712	A433-Y676 WeakPolarHBondContact O-CA 3.32Å; R434-Y676 HydrophobicContact CB-CD1 3.76Å; R434-Y676 HydrophobicContact CB-CE1 3.68Å; R434-Y676 HydrophobicContact CG-CD1 3.97Å; R434-Y676 HydrophobicContact CG-CE1 3.64Å; V444-Y676 HydrophobicContact CG1-CE1 4.07Å; V444-Y676 HydrophobicContact CG2-CD1 3.8Å; V444-Y676 HydrophobicContact CG2-CE1 3.95Å; W655-Y676 HydrophobicContact CH2-CD2 4.36Å; W655-Y676 AromaticContact CH2-CE2 3.63Å; W655-Y676 HydrophobicContact CH2-CE2 3.63Å; W655-Y676 HydrophobicContact CZ2-CE2 4.48Å; W655-Y676 AromaticContact CZ3-CD2 3.99Å; W655-Y676 HydrophobicContact CZ3-CD2 3.99Å; W655-Y676 AromaticContact CZ3-CE2 3.72Å; W655-Y676 HydrophobicContact CZ3-CE2 3.72Å; E666-Y676 CarbonylContact C-O 3.4Å; E666-Y676 VanDerWaalsContact CA-O 3.25Å; E666-Y676 WeakPolarHBondContact CA-O 3.45Å; V667-Y676 PolarHBondContact N-O 2.76Å; V667-Y676 PolarHBondContact O-N 3.28Å; Y676-P712 HydrophobicContact CD2-CB 4.39Å; Y676-P712 HydrophobicContact CE2-CB 4.1Å; Y676-P712 HydrophobicContact CE2-CG 4Å
677	Q	93.5	Very high	94.1	Very high	28 Å²	28	37.8 Å²	37.8	13%	0.131	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.1	172.7	-72.2	-177.3	-21.9	0	0	110.1	A433 L435 M441 E666 H679	A433-Q677 PolarHBondContact N-O 3.26Å; A433-Q677 VanDerWaalsContact N-O 3.13Å; A433-Q677 PolarHBondContact O-N 3.49Å; L435-Q677 HydrophobicContact CD1-CG 4.26Å; M441-Q677 HydrophobicContact CE-CB 4.27Å; M441-Q677 HydrophobicContact CE-CG 4.45Å; E666-Q677 HydrophobicContact CG-CG 4.09Å; E666-Q677 PolarHBondContact OE1-NE2 2.84Å; Q677-H679 PolarHBondContact O-ND1 3.16Å
678	L	94.2	Very high	94.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.4	-173	-40.9	177	0	0	0	110.4	Q432 V665 V667 F697 W709 Y713	Q432-L678 HydrophobicContact CB-CD2 4.23Å; Q432-L678 HydrophobicContact CG-CD2 4.1Å; V665-L678 HydrophobicContact CB-CB 4.24Å; V665-L678 HydrophobicContact CB-CD1 4.34Å; V665-L678 HydrophobicContact CG1-CD1 4.3Å; V665-L678 PolarHBondContact N-O 2.86Å; V665-L678 VanDerWaalsContact N-O 3.15Å; V665-L678 PolarHBondContact O-N 3.47Å; V667-L678 HydrophobicContact CG2-CD1 4.07Å; L678-F697 HydrophobicContact CD1-CZ 3.91Å; L678-W709 HydrophobicContact CB-CE3 4.4Å; L678-W709 HydrophobicContact CB-CH2 3.67Å; L678-W709 HydrophobicContact CB-CZ2 4.45Å; L678-W709 HydrophobicContact CB-CZ3 3.68Å; L678-W709 HydrophobicContact CD1-CD2 4.06Å; L678-W709 HydrophobicContact CD1-CE3 3.9Å; L678-W709 HydrophobicContact CD1-CG 4.5Å; L678-W709 HydrophobicContact CD1-CH2 4.4Å; L678-W709 HydrophobicContact CD1-CZ3 4.03Å; L678-W709 HydrophobicContact CG-CZ3 4.4Å; L678-Y713 WeakPolarHBondContact CD2-O 3.33Å
679	H	93.1	Very high	94.3	Very high	71 Å²	71	40.5 Å²	40.5	33%	0.329	21%	0.214	S	C	.	.			trans	-123.6	59.7	-167.2	-52.3	85	0	0	0	112.3	T431 N664 Q677	T431-H679 WeakPolarHBondContact O-CB 3.32Å; T431-H679 PolarHBondContact O-N 2.87Å; T431-H679 PolarHBondContact O-ND1 3.03Å; T431-H679 VanDerWaalsContact O-ND1 3.11Å; N664-H679 VanDerWaalsContact CG-CD2 3.49Å; N664-H679 PolarHBondContact ND2-CD2 3.18Å; N664-H679 PolarHBondContact ND2-NE2 3.23Å; N664-H679 PolarHBondContact OD1-CD2 3.15Å; Q677-H679 PolarHBondContact O-ND1 3.16Å
680	L	93.5	Very high	94.5	Very high	30 Å²	30	40.5 Å²	40.5	16%	0.157	21%	0.214	C	C	.	.			trans	-110.5	-6.4	175.4	-59.7	-178.9	0	0	0	114.6	T431 L705 W709	T431-L680 HydrophobicContact CG2-CD2 4.1Å; T431-L680 WeakPolarHBondContact OG1-CD2 3.26Å; L680-L705 WeakPolarHBondContact O-CD1 3.39Å; L680-W709 HydrophobicContact CB-CH2 3.49Å; L680-W709 VanDerWaalsContact CB-CH2 3.49Å; L680-W709 HydrophobicContact CB-CZ2 4.24Å; L680-W709 HydrophobicContact CB-CZ3 4.05Å; L680-W709 HydrophobicContact CD1-CE3 4.03Å; L680-W709 HydrophobicContact CD1-CH2 3.65Å; L680-W709 HydrophobicContact CD1-CZ3 3.29Å; L680-W709 HydrophobicContact CG-CH2 3.57Å; L680-W709 HydrophobicContact CG-CZ3 3.59Å
681	H	96.7	Very high	94.8	Very high	9 Å²	9	39.6 Å²	39.6	4%	0.042	21%	0.208	C	C	.	.			trans	-90.9	145.1	171.4	-77.2	-70.6	0	0	0	110.7	S663 V685 S699 G701 D703 N707	S663-H681 WeakPolarHBondContact CB-O 2.98Å; S663-H681 WeakPolarHBondContact O-CB 3.13Å; S663-H681 PolarHBondContact OG-O 2.64Å; H681-V685 HydrophobicContact CB-CG2 4.26Å; H681-S699 PolarHBondContact CD2-OG 3.47Å; H681-S699 PolarHBondContact NE2-OG 3.42Å; H681-G701 PolarHBondContact CE1-N 3.02Å; H681-D703 WeakPolarHBondContact CA-OD2 3.21Å; H681-D703 VanDerWaalsContact CB-OD2 3.29Å; H681-D703 WeakPolarHBondContact CB-OD2 3.35Å; H681-D703 IonicContact CE1-OD1 2.63Å; H681-D703 IonicContact CG-OD2 2.78Å; H681-D703 IonicContact ND1-OD1 2.71Å; H681-D703 PolarHBondContact ND1-OD1 3.49Å; H681-D703 VanDerWaalsContact ND1-OD1 3.15Å; H681-D703 IonicContact ND1-OD2 2.8Å; H681-D703 PolarHBondContact ND1-OD2 3.24Å; H681-N707 PolarHBondContact CE1-ND2 3.37Å; H681-N707 PolarHBondContact ND1-ND2 3.19Å; H681-N707 PolarHBondContact NE2-ND2 3.35Å; H681-N707 VanDerWaalsContact NE2-ND2 3.19Å
682	E	95.4	Very high	95.2	Very high	117 Å²	117	40.2 Å²	40.2	55%	0.547	20%	0.2	S	C	.	.	S	Bend	trans	-97.2	-1.1	173.2	-66.2	-172.2	-172.3	0	0	112.3	K52 Q56 D703	K52-E682 IonicContact NZ-OE1 3.97Å; K52-E682 IonicContact NZ-OE2 3.15Å; K52-E682 PolarHBondContact NZ-OE2 3.38Å; Q56-E682 PolarHBondContact NE2-O 2.91Å; E682-D703 HydrophobicContact CB-CB 4.1Å; E682-D703 PolarHBondContact N-OD2 3.27Å
683	S	97	Very high	95.5	Very high	12 Å²	12	37.3 Å²	37.3	8%	0.084	19%	0.192	C	C	.	.	S	Bend	trans	-159.3	179.8	-179.5	-161.8	0	0	0	0	110.9	S663	S663-S683 WeakPolarHBondContact CA-O 3.34Å; S663-S683 VanDerWaalsContact CB-C 3.5Å; S663-S683 WeakPolarHBondContact CB-O 3.34Å
684	C	97.2	Very high	95.9	Very high	8 Å²	8	32.6 Å²	32.6	5%	0.054	16%	0.162	C	C	.	.			trans	-46.6	136.7	-173.1	-43.8	0	0	0	0	114	F645 E661 L686 G701 K702	F645-C684 HydrophobicContact CD2-CB 3.89Å; F645-C684 HydrophobicContact CE2-CB 3.73Å; E661-C684 WeakPolarHBondContact O-CA 3.45Å; E661-C684 PolarHBondContact O-SG 2.84Å; E661-C684 VanDerWaalsContact O-SG 3.32Å; C684-L686 HydrophobicContact CB-CD2 4.03Å; C684-L686 PolarHBondContact O-N 2.84Å; C684-G701 WeakPolarHBondContact O-CA 3.1Å; C684-K702 HydrophobicContact CB-CB 4.37Å; C684-K702 PolarHBondContact O-N 2.86Å
685	V	98.4	Very high	96.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	99	178.4	-171.1	0	0	0	0	110.1	F645 S646 M660 V665 H681 T700	F645-V685 WeakPolarHBondContact CB-O 3.41Å; S646-V685 PolarHBondContact OG-O 2.84Å; S646-V685 VanDerWaalsContact OG-O 3.12Å; M660-V685 PolarHBondContact O-N 2.69Å; V665-V685 HydrophobicContact CG2-CG1 4.06Å; V665-V685 HydrophobicContact CG2-CG2 3.98Å; H681-V685 HydrophobicContact CB-CG2 4.26Å; V685-T700 CarbonylContact C-O 3.58Å
686	L	98.3	Very high	96.4	Very high	40 Å²	40	32.5 Å²	32.5	21%	0.209	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-30.5	-165.3	-57.6	176.3	0	0	0	113.7	F645 C684 T700 K702 L727	F645-L686 HydrophobicContact CD2-CD2 4.36Å; C684-L686 HydrophobicContact CB-CD2 4.03Å; C684-L686 PolarHBondContact O-N 2.84Å; L686-T700 PolarHBondContact N-O 2.58Å; L686-K702 HydrophobicContact CD1-CB 3.94Å; L686-K702 HydrophobicContact CG-CB 4.33Å; L686-L727 HydrophobicContact CD1-CD2 4.05Å; L686-L727 HydrophobicContact CD1-CG 4.39Å
687	S	98.4	Very high	96.7	Very high	21 Å²	21	31.5 Å²	31.5	15%	0.147	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	151.2	179.7	-156.9	0	0	0	0	111.5	S699 T700 C729	S687-S699 CarbonylContact O-C 3.6Å; S687-S699 VanDerWaalsContact O-CA 3.3Å; S687-S699 WeakPolarHBondContact O-CA 3.28Å; S687-T700 WeakPolarHBondContact CB-OG1 3.49Å; S687-T700 PolarHBondContact N-O 2.63Å; S687-T700 PolarHBondContact N-OG1 3.34Å; S687-T700 PolarHBondContact O-N 2.83Å; S687-C729 PolarHBondContact OG-N 3.4Å; S687-C729 PolarHBondContact OG-SG 3.36Å; S687-C729 VanDerWaalsContact OG-SG 3.4Å
688	L	98.1	Very high	96.9	Very high	11 Å²	11	30.1 Å²	30.1	6%	0.058	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	137.2	178.3	-167.3	149.3	0	0	0	109.1	A657 V665 F690 F697 V698	A657-L688 HydrophobicContact CB-CD1 3.66Å; A657-L688 HydrophobicContact CB-CD2 3.9Å; A657-L688 HydrophobicContact CB-CG 4.45Å; V665-L688 HydrophobicContact CG1-CD1 3.99Å; L688-F690 HydrophobicContact CD2-CD2 4.03Å; L688-F690 HydrophobicContact CD2-CE2 3.95Å; L688-F697 HydrophobicContact CD1-CD2 4.2Å; L688-F697 HydrophobicContact CD1-CE2 4.18Å; L688-F697 HydrophobicContact CD2-CD2 4.21Å; L688-F697 HydrophobicContact CG-CD2 4.16Å; L688-V698 WeakPolarHBondContact CA-O 3.43Å
689	K	98.5	Very high	97.1	Very high	61 Å²	61	30.1 Å²	30.1	27%	0.265	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	128	174	-174.3	66	-171.1	-61.7	0	111.6	F697 V698 D730 I731	K689-F697 CarbonylContact O-C 3.39Å; K689-F697 WeakPolarHBondContact O-CA 3.42Å; K689-F697 WeakPolarHBondContact O-CB 3.48Å; K689-V698 HydrophobicContact CB-CG2 4.32Å; K689-V698 PolarHBondContact N-O 3.44Å; K689-V698 PolarHBondContact O-N 2.95Å; K689-D730 IonicContact NZ-OD1 3.52Å; K689-D730 PolarHBondContact NZ-OD1 3.45Å; K689-I731 HydrophobicContact CB-CD1 4.3Å; K689-I731 HydrophobicContact CB-CG1 4.25Å; K689-I731 HydrophobicContact CG-CB 4.19Å; K689-I731 HydrophobicContact CG-CD1 4.08Å; K689-I731 HydrophobicContact CG-CG1 3.83Å; K689-I731 WeakPolarHBondContact O-CD1 3.49Å
690	F	98.4	Very high	97.4	Very high	7 Å²	7	26.7 Å²	26.7	3%	0.031	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	143.3	168.4	-82.9	-94.3	0	0	0	111.6	G648 C650 P651 A657 L688 F697 T711	G648-F690 WeakPolarHBondContact O-CE2 3.32Å; C650-F690 HydrophobicContact CB-CD1 4.06Å; C650-F690 HydrophobicContact CB-CE1 3.78Å; C650-F690 HydrophobicContact CB-CZ 4.08Å; P651-F690 HydrophobicContact CG-CB 4.18Å; A657-F690 HydrophobicContact CB-CE2 3.63Å; A657-F690 HydrophobicContact CB-CZ 3.76Å; L688-F690 HydrophobicContact CD2-CD2 4.03Å; L688-F690 HydrophobicContact CD2-CE2 3.95Å; F690-F697 HydrophobicContact CB-CB 4.33Å; F690-F697 HydrophobicContact CD1-CB 3.71Å; F690-F697 HydrophobicContact CD1-CD1 4.31Å; F690-F697 HydrophobicContact CD1-CG 4.36Å; F690-F697 HydrophobicContact CD2-CB 4.15Å; F690-F697 HydrophobicContact CE1-CB 3.94Å; F690-F697 AromaticContact CE1-CD1 3.71Å; F690-F697 HydrophobicContact CE1-CD1 3.71Å; F690-F697 HydrophobicContact CE1-CG 4.08Å; F690-F697 HydrophobicContact CE2-CB 4.34Å; F690-F697 HydrophobicContact CE2-CG 4.46Å; F690-F697 HydrophobicContact CG-CB 3.82Å; F690-F697 HydrophobicContact CZ-CB 4.25Å; F690-F697 AromaticContact CZ-CD1 3.92Å; F690-F697 HydrophobicContact CZ-CD1 3.92Å; F690-F697 HydrophobicContact CZ-CE1 4.5Å; F690-F697 HydrophobicContact CZ-CG 4.14Å; F690-T711 HydrophobicContact CE1-CG2 3.89Å
691	A	98.1	Very high	97.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.			trans	-65.4	146.9	163	0	0	0	0	0	109.7	C693 G694 W696 I731 D735	A691-C693 PolarHBondContact O-N 3.39Å; A691-G694 WeakPolarHBondContact O-CA 3.23Å; A691-G694 PolarHBondContact O-N 3.47Å; A691-W696 HydrophobicContact CB-CD2 3.67Å; A691-W696 HydrophobicContact CB-CE3 4.3Å; A691-W696 HydrophobicContact CB-CG 3.99Å; A691-W696 HydrophobicContact CB-CH2 4.31Å; A691-W696 HydrophobicContact CB-CZ2 3.68Å; A691-W696 VanDerWaalsContact CB-O 3.3Å; A691-W696 WeakPolarHBondContact CB-O 2.95Å; A691-W696 PolarHBondContact N-O 3.18Å; A691-I731 HydrophobicContact CB-CD1 4.44Å; A691-D735 WeakPolarHBondContact CA-OD1 3.49Å
692	Q	96	Very high	97.6	Very high	115 Å²	115	27.8 Å²	27.8	54%	0.537	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.1	-176.5	-170.8	55.9	66.8	0	0	112.5	G694 D735	Q692-G694 VanDerWaalsContact C-N 3.26Å; Q692-G694 PolarHBondContact O-N 2.98Å; Q692-D735 WeakPolarHBondContact CB-OD1 3.45Å; Q692-D735 PolarHBondContact N-OD1 3.03Å; Q692-D735 PolarHBondContact N-OD2 3.26Å
693	C	95.5	Very high	97.7	Very high	43 Å²	43	23 Å²	23	29%	0.291	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-7.4	170.4	68.2	0	0	0	0	115.2	A691 K695 D735	A691-C693 PolarHBondContact O-N 3.39Å; C693-K695 PolarHBondContact O-N 2.95Å; C693-D735 VanDerWaalsContact CB-OD2 3.27Å; C693-D735 WeakPolarHBondContact CB-OD2 3.45Å; C693-D735 PolarHBondContact N-OD2 3.32Å; C693-D735 PolarHBondContact SG-OD2 2.98Å
694	G	96.4	Very high	97.7	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.021	12%	0.123	C	C	.	.	S	Bend	trans	70.5	-13.1	-179.9	0	0	0	0	0	116.3	C650 A691 Q692 W696 T711	C650-G694 PolarHBondContact SG-O 3.13Å; A691-G694 WeakPolarHBondContact O-CA 3.23Å; A691-G694 PolarHBondContact O-N 3.47Å; Q692-G694 VanDerWaalsContact C-N 3.26Å; Q692-G694 PolarHBondContact O-N 2.98Å; G694-W696 VanDerWaalsContact C-N 3.32Å; G694-W696 PolarHBondContact O-N 2.84Å; G694-T711 WeakPolarHBondContact O-CB 3.46Å; G694-T711 WeakPolarHBondContact O-CG2 3.49Å; G694-T711 PolarHBondContact O-OG1 2.68Å
695	K	96.7	Very high	97.7	Very high	85 Å²	85	25.5 Å²	25.5	37%	0.37	13%	0.127	S	C	.	.	S	Bend	trans	-71	-21.9	-173.1	-70.4	176.4	174.5	174.5	0	115.1	P454 I456 C693 R710 T711	P454-K695 PolarHBondContact O-NZ 3.42Å; I456-K695 HydrophobicContact CD1-CB 3.8Å; I456-K695 HydrophobicContact CD1-CD 4.23Å; C693-K695 PolarHBondContact O-N 2.95Å; K695-R710 PolarHBondContact O-NH1 2.99Å; K695-T711 VanDerWaalsContact C-OG1 3.24Å; K695-T711 PolarHBondContact O-N 2.97Å; K695-T711 PolarHBondContact O-OG1 3.42Å
696	W	97.8	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	163.4	179.8	61	-79.4	0	0	0	110.3	G455 P457 A691 G694 V698 W709 T711 I717 I731 D735 I738 V752 F754	G455-W696 PolarHBondContact O-NE1 2.85Å; P457-W696 HydrophobicContact CG-CD2 3.72Å; P457-W696 VanDerWaalsContact CG-CE2 3.49Å; P457-W696 HydrophobicContact CG-CE3 4.07Å; P457-W696 HydrophobicContact CG-CG 4.26Å; P457-W696 HydrophobicContact CG-CH2 4.08Å; P457-W696 HydrophobicContact CG-CZ2 3.72Å; P457-W696 HydrophobicContact CG-CZ3 4.22Å; A691-W696 HydrophobicContact CB-CD2 3.67Å; A691-W696 HydrophobicContact CB-CE3 4.3Å; A691-W696 HydrophobicContact CB-CG 3.99Å; A691-W696 HydrophobicContact CB-CH2 4.31Å; A691-W696 HydrophobicContact CB-CZ2 3.68Å; A691-W696 VanDerWaalsContact CB-O 3.3Å; A691-W696 WeakPolarHBondContact CB-O 2.95Å; A691-W696 PolarHBondContact N-O 3.18Å; G694-W696 VanDerWaalsContact C-N 3.32Å; G694-W696 PolarHBondContact O-N 2.84Å; W696-V698 HydrophobicContact CE3-CG1 4.16Å; W696-V698 HydrophobicContact CZ3-CG1 3.66Å; W696-W709 CarbonylContact C-O 3.51Å; W696-W709 WeakPolarHBondContact CA-O 3.45Å; W696-W709 VanDerWaalsContact CB-O 3.23Å; W696-W709 WeakPolarHBondContact CB-O 3.29Å; W696-T711 WeakPolarHBondContact CA-OG1 3.47Å; W696-T711 PolarHBondContact N-OG1 3.35Å; W696-I717 HydrophobicContact CB-CD1 3.52Å; W696-I717 HydrophobicContact CG-CD1 4.32Å; W696-I731 HydrophobicContact CH2-CD1 4.17Å; W696-I731 HydrophobicContact CZ3-CD1 4.1Å; W696-D735 HydrophobicContact CZ2-CB 4.3Å; W696-I738 HydrophobicContact CH2-CD1 4.01Å; W696-I738 HydrophobicContact CH2-CG1 4.25Å; W696-I738 HydrophobicContact CZ3-CD1 4.02Å; W696-V752 HydrophobicContact CH2-CG1 4.14Å; W696-V752 HydrophobicContact CH2-CG2 4.06Å; W696-V752 HydrophobicContact CZ2-CG1 4.07Å; W696-F754 HydrophobicContact CZ2-CZ 4.19Å
697	F	98.5	Very high	97.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	164.8	175.7	64.4	-86.4	0	0	0	110.2	A657 V665 V667 L678 L688 K689 F690 A708 W709	A657-F697 HydrophobicContact CB-CD2 4.45Å; A657-F697 HydrophobicContact CB-CE2 4.15Å; A657-F697 HydrophobicContact CB-CZ 4.27Å; V665-F697 HydrophobicContact CG1-CE2 4.15Å; V665-F697 HydrophobicContact CG1-CZ 4.5Å; V667-F697 HydrophobicContact CG2-CE1 4.24Å; V667-F697 HydrophobicContact CG2-CZ 3.83Å; L678-F697 HydrophobicContact CD1-CZ 3.91Å; L688-F697 HydrophobicContact CD1-CD2 4.2Å; L688-F697 HydrophobicContact CD1-CE2 4.18Å; L688-F697 HydrophobicContact CD2-CD2 4.21Å; L688-F697 HydrophobicContact CG-CD2 4.16Å; K689-F697 CarbonylContact O-C 3.39Å; K689-F697 WeakPolarHBondContact O-CA 3.42Å; K689-F697 WeakPolarHBondContact O-CB 3.48Å; F690-F697 HydrophobicContact CB-CB 4.33Å; F690-F697 HydrophobicContact CD1-CB 3.71Å; F690-F697 HydrophobicContact CD1-CD1 4.31Å; F690-F697 HydrophobicContact CD1-CG 4.36Å; F690-F697 HydrophobicContact CD2-CB 4.15Å; F690-F697 HydrophobicContact CE1-CB 3.94Å; F690-F697 AromaticContact CE1-CD1 3.71Å; F690-F697 HydrophobicContact CE1-CD1 3.71Å; F690-F697 HydrophobicContact CE1-CG 4.08Å; F690-F697 HydrophobicContact CE2-CB 4.34Å; F690-F697 HydrophobicContact CE2-CG 4.46Å; F690-F697 HydrophobicContact CG-CB 3.82Å; F690-F697 HydrophobicContact CZ-CB 4.25Å; F690-F697 AromaticContact CZ-CD1 3.92Å; F690-F697 HydrophobicContact CZ-CD1 3.92Å; F690-F697 HydrophobicContact CZ-CE1 4.5Å; F690-F697 HydrophobicContact CZ-CG 4.14Å; F697-A708 WeakPolarHBondContact O-CA 3.48Å; F697-W709 HydrophobicContact CD1-CB 4.06Å; F697-W709 HydrophobicContact CD2-CB 4.15Å; F697-W709 AromaticContact CD2-CD1 3.62Å; F697-W709 HydrophobicContact CD2-CG 4.2Å; F697-W709 HydrophobicContact CE1-CB 3.66Å; F697-W709 HydrophobicContact CE1-CG 4.46Å; F697-W709 HydrophobicContact CE2-CB 3.75Å; F697-W709 AromaticContact CE2-CD1 3.33Å; F697-W709 AromaticContact CE2-CG 3.67Å; F697-W709 HydrophobicContact CE2-CG 3.67Å; F697-W709 HydrophobicContact CG-CB 4.29Å; F697-W709 HydrophobicContact CZ-CB 3.49Å; F697-W709 VanDerWaalsContact CZ-CB 3.49Å; F697-W709 AromaticContact CZ-CD1 3.98Å; F697-W709 AromaticContact CZ-CG 3.82Å; F697-W709 HydrophobicContact CZ-CG 3.82Å; F697-W709 PolarHBondContact N-O 3.35Å; F697-W709 PolarHBondContact O-N 2.67Å
698	V	98.6	Very high	97.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	148.8	171.7	-55.7	0	0	0	0	110.8	L688 K689 W696 L706 N707 A708 C729 I731 I738	L688-V698 WeakPolarHBondContact CA-O 3.43Å; K689-V698 HydrophobicContact CB-CG2 4.32Å; K689-V698 PolarHBondContact N-O 3.44Å; K689-V698 PolarHBondContact O-N 2.95Å; W696-V698 HydrophobicContact CE3-CG1 4.16Å; W696-V698 HydrophobicContact CZ3-CG1 3.66Å; V698-L706 HydrophobicContact CB-CD1 3.81Å; V698-L706 HydrophobicContact CG1-CD1 4.21Å; V698-L706 HydrophobicContact CG2-CD1 4.11Å; V698-N707 CarbonylContact C-O 3.58Å; V698-N707 WeakPolarHBondContact CA-O 3.37Å; V698-A708 HydrophobicContact CG1-CB 4.19Å; V698-C729 HydrophobicContact CG2-CB 4.32Å; V698-I731 HydrophobicContact CG1-CD1 4.28Å; V698-I731 HydrophobicContact CG2-CD1 4.09Å; V698-I731 HydrophobicContact CG2-CG1 4.46Å; V698-I738 HydrophobicContact CG1-CD1 4.13Å
699	S	98.6	Very high	97.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.4	162.8	68.1	0	0	0	0	110.5	H681 S687 N707 W709	H681-S699 PolarHBondContact CD2-OG 3.47Å; H681-S699 PolarHBondContact NE2-OG 3.42Å; S687-S699 CarbonylContact O-C 3.6Å; S687-S699 VanDerWaalsContact O-CA 3.3Å; S687-S699 WeakPolarHBondContact O-CA 3.28Å; S699-N707 PolarHBondContact N-O 2.97Å; S699-N707 PolarHBondContact O-N 3.43Å; S699-W709 PolarHBondContact OG-NE1 2.97Å
700	T	98.6	Very high	97.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.6	178	73	0	0	0	0	111.2	V685 L686 S687 L705 L706 V726 C729 T740	V685-T700 CarbonylContact C-O 3.58Å; L686-T700 PolarHBondContact N-O 2.58Å; S687-T700 WeakPolarHBondContact CB-OG1 3.49Å; S687-T700 PolarHBondContact N-O 2.63Å; S687-T700 PolarHBondContact N-OG1 3.34Å; S687-T700 PolarHBondContact O-N 2.83Å; T700-L705 WeakPolarHBondContact CA-O 3.25Å; T700-L706 HydrophobicContact CG2-CD1 3.78Å; T700-V726 VanDerWaalsContact CB-O 3.28Å; T700-V726 WeakPolarHBondContact CB-O 3.33Å; T700-V726 HydrophobicContact CG2-CB 4.35Å; T700-V726 HydrophobicContact CG2-CG1 3.61Å; T700-V726 PolarHBondContact OG1-O 2.93Å; T700-C729 HydrophobicContact CG2-CB 3.73Å; T700-T740 HydrophobicContact CG2-CG2 4.41Å
701	G	97.3	Very high	97.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	158.8	-172.2	0	0	0	0	0	115.1	H681 C684 D703 N704 L705 V726	H681-G701 PolarHBondContact CE1-N 3.02Å; C684-G701 WeakPolarHBondContact O-CA 3.1Å; G701-D703 VanDerWaalsContact C-OD1 3.31Å; G701-D703 VanDerWaalsContact CA-OD1 3.24Å; G701-D703 WeakPolarHBondContact CA-OD1 3.31Å; G701-D703 PolarHBondContact O-N 2.95Å; G701-N704 PolarHBondContact O-N 3.09Å; G701-L705 PolarHBondContact N-O 3.3Å; G701-V726 PolarHBondContact O-N 3.24Å
702	K	97.6	Very high	97.3	Very high	61 Å²	61	21.6 Å²	21.6	27%	0.265	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.6	169.7	-170.3	175.7	179.8	178.8	0	112.2	C684 L686 N704 S725	C684-K702 HydrophobicContact CB-CB 4.37Å; C684-K702 PolarHBondContact O-N 2.86Å; L686-K702 HydrophobicContact CD1-CB 3.94Å; L686-K702 HydrophobicContact CG-CB 4.33Å; K702-N704 PolarHBondContact O-N 2.76Å; K702-S725 PolarHBondContact O-OG 2.98Å
703	D	96.8	Very high	97.1	Very high	18 Å²	18	17.2 Å²	17.2	10%	0.096	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	7.5	173.7	63.6	0.1	0	0	0	115.6	H681 E682 G701 L705	H681-D703 WeakPolarHBondContact CA-OD2 3.21Å; H681-D703 VanDerWaalsContact CB-OD2 3.29Å; H681-D703 WeakPolarHBondContact CB-OD2 3.35Å; H681-D703 IonicContact CE1-OD1 2.63Å; H681-D703 IonicContact CG-OD2 2.78Å; H681-D703 IonicContact ND1-OD1 2.71Å; H681-D703 PolarHBondContact ND1-OD1 3.49Å; H681-D703 VanDerWaalsContact ND1-OD1 3.15Å; H681-D703 IonicContact ND1-OD2 2.8Å; H681-D703 PolarHBondContact ND1-OD2 3.24Å; E682-D703 HydrophobicContact CB-CB 4.1Å; E682-D703 PolarHBondContact N-OD2 3.27Å; G701-D703 VanDerWaalsContact C-OD1 3.31Å; G701-D703 VanDerWaalsContact CA-OD1 3.24Å; G701-D703 WeakPolarHBondContact CA-OD1 3.31Å; G701-D703 PolarHBondContact O-N 2.95Å; D703-L705 VanDerWaalsContact C-N 3.31Å; D703-L705 PolarHBondContact O-N 2.91Å; D703-L705 WeakPolarHBondContact OD1-CB 3.48Å; D703-L705 PolarHBondContact OD1-N 3.48Å
704	N	97.8	Very high	97	Very high	45 Å²	45	15.1 Å²	15.1	24%	0.241	7%	0.073	C	C	.	.	S	Bend	trans	71.4	15.7	179.9	-26	-81.4	0	0	0	114.5	G701 K702 E722 S724 S725	G701-N704 PolarHBondContact O-N 3.09Å; K702-N704 PolarHBondContact O-N 2.76Å; N704-E722 WeakPolarHBondContact CB-O 3.41Å; N704-E722 PolarHBondContact O-N 3.15Å; N704-S724 WeakPolarHBondContact CA-O 3.5Å; N704-S724 WeakPolarHBondContact CB-O 3.48Å; N704-S724 WeakPolarHBondContact OD1-CA 3.36Å; N704-S724 PolarHBondContact OD1-O 3.4Å; N704-S725 PolarHBondContact OD1-N 3.49Å
705	L	97.8	Very high	96.8	Very high	26 Å²	26	15 Å²	15	14%	0.136	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.9	178.5	-62.2	-179.6	0	0	0	112.8	L680 T700 G701 D703 K721	L680-L705 WeakPolarHBondContact O-CD1 3.39Å; T700-L705 WeakPolarHBondContact CA-O 3.25Å; G701-L705 PolarHBondContact N-O 3.3Å; D703-L705 VanDerWaalsContact C-N 3.31Å; D703-L705 PolarHBondContact O-N 2.91Å; D703-L705 WeakPolarHBondContact OD1-CB 3.48Å; D703-L705 PolarHBondContact OD1-N 3.48Å; L705-K721 HydrophobicContact CD2-CB 4.03Å; L705-K721 HydrophobicContact CD2-CD 4.44Å; L705-K721 HydrophobicContact CD2-CG 4.16Å
706	L	98.1	Very high	96.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	108.5	156.5	168.2	68.3	0	0	0	107	V698 T700 F718 Q719 S720 I738 T740 Y750	V698-L706 HydrophobicContact CB-CD1 3.81Å; V698-L706 HydrophobicContact CG1-CD1 4.21Å; V698-L706 HydrophobicContact CG2-CD1 4.11Å; T700-L706 HydrophobicContact CG2-CD1 3.78Å; L706-F718 HydrophobicContact CD2-CE2 4.49Å; L706-Q719 CarbonylContact O-C 3.41Å; L706-Q719 WeakPolarHBondContact O-CA 3.02Å; L706-S720 PolarHBondContact N-O 3.45Å; L706-S720 PolarHBondContact O-N 3.14Å; L706-I738 HydrophobicContact CD2-CG2 4.37Å; L706-T740 HydrophobicContact CD1-CG2 4.08Å; L706-T740 HydrophobicContact CD2-CG2 4.01Å; L706-T740 HydrophobicContact CG-CG2 4.48Å; L706-Y750 HydrophobicContact CD2-CD2 4.23Å; L706-Y750 HydrophobicContact CD2-CE2 3.99Å
707	N	98	Very high	96.5	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.6	179	-72.8	-37	0	0	0	109.9	H681 V698 S699 W709 Q719	H681-N707 PolarHBondContact CE1-ND2 3.37Å; H681-N707 PolarHBondContact ND1-ND2 3.19Å; H681-N707 PolarHBondContact NE2-ND2 3.35Å; H681-N707 VanDerWaalsContact NE2-ND2 3.19Å; V698-N707 CarbonylContact C-O 3.58Å; V698-N707 WeakPolarHBondContact CA-O 3.37Å; S699-N707 PolarHBondContact N-O 2.97Å; S699-N707 PolarHBondContact O-N 3.43Å; N707-W709 HydrophobicContact CB-CD2 4.41Å; N707-W709 HydrophobicContact CB-CZ2 3.79Å; N707-W709 PolarHBondContact O-NE1 2.92Å; N707-Q719 VanDerWaalsContact OD1-CG 3.28Å; N707-Q719 WeakPolarHBondContact OD1-CG 3.47Å
708	A	98	Very high	96.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.3	174.2	0	0	0	0	0	111.3	F697 V698 I717 F718	F697-A708 WeakPolarHBondContact O-CA 3.48Å; V698-A708 HydrophobicContact CG1-CB 4.19Å; A708-I717 HydrophobicContact CB-CB 4.32Å; A708-I717 PolarHBondContact O-N 3.4Å; A708-F718 HydrophobicContact CB-CD1 3.62Å; A708-F718 HydrophobicContact CB-CD2 3.9Å; A708-F718 HydrophobicContact CB-CE1 3.37Å; A708-F718 HydrophobicContact CB-CE2 3.65Å; A708-F718 HydrophobicContact CB-CG 3.86Å; A708-F718 HydrophobicContact CB-CZ 3.38Å; A708-F718 PolarHBondContact N-O 3.1Å
709	W	97.7	Very high	96.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.1	-163.6	-48.2	97.4	0	0	0	111.5	V665 L678 L680 W696 F697 S699 N707 A715	V665-W709 HydrophobicContact CG2-CZ2 4.23Å; L678-W709 HydrophobicContact CB-CE3 4.4Å; L678-W709 HydrophobicContact CB-CH2 3.67Å; L678-W709 HydrophobicContact CB-CZ2 4.45Å; L678-W709 HydrophobicContact CB-CZ3 3.68Å; L678-W709 HydrophobicContact CD1-CD2 4.06Å; L678-W709 HydrophobicContact CD1-CE3 3.9Å; L678-W709 HydrophobicContact CD1-CG 4.5Å; L678-W709 HydrophobicContact CD1-CH2 4.4Å; L678-W709 HydrophobicContact CD1-CZ3 4.03Å; L678-W709 HydrophobicContact CG-CZ3 4.4Å; L680-W709 HydrophobicContact CB-CH2 3.49Å; L680-W709 VanDerWaalsContact CB-CH2 3.49Å; L680-W709 HydrophobicContact CB-CZ2 4.24Å; L680-W709 HydrophobicContact CB-CZ3 4.05Å; L680-W709 HydrophobicContact CD1-CE3 4.03Å; L680-W709 HydrophobicContact CD1-CH2 3.65Å; L680-W709 HydrophobicContact CD1-CZ3 3.29Å; L680-W709 HydrophobicContact CG-CH2 3.57Å; L680-W709 HydrophobicContact CG-CZ3 3.59Å; W696-W709 CarbonylContact C-O 3.51Å; W696-W709 WeakPolarHBondContact CA-O 3.45Å; W696-W709 VanDerWaalsContact CB-O 3.23Å; W696-W709 WeakPolarHBondContact CB-O 3.29Å; F697-W709 HydrophobicContact CD1-CB 4.06Å; F697-W709 HydrophobicContact CD2-CB 4.15Å; F697-W709 AromaticContact CD2-CD1 3.62Å; F697-W709 HydrophobicContact CD2-CG 4.2Å; F697-W709 HydrophobicContact CE1-CB 3.66Å; F697-W709 HydrophobicContact CE1-CG 4.46Å; F697-W709 HydrophobicContact CE2-CB 3.75Å; F697-W709 AromaticContact CE2-CD1 3.33Å; F697-W709 AromaticContact CE2-CG 3.67Å; F697-W709 HydrophobicContact CE2-CG 3.67Å; F697-W709 HydrophobicContact CG-CB 4.29Å; F697-W709 HydrophobicContact CZ-CB 3.49Å; F697-W709 VanDerWaalsContact CZ-CB 3.49Å; F697-W709 AromaticContact CZ-CD1 3.98Å; F697-W709 AromaticContact CZ-CG 3.82Å; F697-W709 HydrophobicContact CZ-CG 3.82Å; F697-W709 PolarHBondContact N-O 3.35Å; F697-W709 PolarHBondContact O-N 2.67Å; S699-W709 PolarHBondContact OG-NE1 2.97Å; N707-W709 HydrophobicContact CB-CD2 4.41Å; N707-W709 HydrophobicContact CB-CZ2 3.79Å; N707-W709 PolarHBondContact O-NE1 2.92Å; W709-A715 WeakPolarHBondContact CA-O 3.28Å
710	R	96.5	Very high	96.1	Very high	23 Å²	23	18.7 Å²	18.7	9%	0.087	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.4	173.9	-172.2	74.6	173.2	86.2	8.1	111	D449 A450 K695 Y713 G714 A715 I717	D449-R710 PolarHBondContact O-NE 2.64Å; D449-R710 IonicContact OD2-CZ 3.77Å; D449-R710 IonicContact OD2-NH2 2.77Å; D449-R710 PolarHBondContact OD2-NH2 3.45Å; A450-R710 WeakPolarHBondContact O-CB 3.09Å; A450-R710 VanDerWaalsContact O-CD 3.23Å; A450-R710 WeakPolarHBondContact O-CD 3.47Å; A450-R710 WeakPolarHBondContact O-CG 3.12Å; K695-R710 PolarHBondContact O-NH1 2.99Å; R710-Y713 HydrophobicContact CB-CE2 3.98Å; R710-Y713 HydrophobicContact CG-CE2 3.59Å; R710-Y713 WeakPolarHBondContact CG-OH 3.44Å; R710-G714 WeakPolarHBondContact O-CA 3.23Å; R710-G714 PolarHBondContact O-N 3.36Å; R710-A715 HydrophobicContact CB-CB 3.88Å; R710-A715 PolarHBondContact N-O 3.46Å; R710-I717 HydrophobicContact CB-CD1 4.24Å; R710-I717 HydrophobicContact CB-CG1 4.29Å
711	T	96.2	Very high	96	Very high	12 Å²	12	26.2 Å²	26.2	7%	0.074	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	137.5	173.1	-47.3	0	0	0	0	110.8	F690 G694 K695 W696	F690-T711 HydrophobicContact CE1-CG2 3.89Å; G694-T711 WeakPolarHBondContact O-CB 3.46Å; G694-T711 WeakPolarHBondContact O-CG2 3.49Å; G694-T711 PolarHBondContact O-OG1 2.68Å; K695-T711 VanDerWaalsContact C-OG1 3.24Å; K695-T711 PolarHBondContact O-N 2.97Å; K695-T711 PolarHBondContact O-OG1 3.42Å; W696-T711 WeakPolarHBondContact CA-OG1 3.47Å; W696-T711 PolarHBondContact N-OG1 3.35Å
712	P	94.6	Very high	95.9	Very high	22 Å²	22	27 Å²	27	14%	0.143	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	cis	-97.6	-21.1	-7.5	36.7	-35.4	0	0	0	114.4	W655 V667 Y676 G714	W655-P712 HydrophobicContact CD2-CB 3.38Å; W655-P712 HydrophobicContact CD2-CG 4.12Å; W655-P712 VanDerWaalsContact CE2-CB 3.41Å; W655-P712 HydrophobicContact CE3-CB 3.74Å; W655-P712 HydrophobicContact CG-CB 3.79Å; W655-P712 HydrophobicContact CH2-CB 4.12Å; W655-P712 HydrophobicContact CH2-CG 4.11Å; W655-P712 HydrophobicContact CZ2-CB 3.79Å; W655-P712 HydrophobicContact CZ2-CG 3.59Å; W655-P712 HydrophobicContact CZ3-CB 4.09Å; V667-P712 HydrophobicContact CG1-CB 4.25Å; Y676-P712 HydrophobicContact CD2-CB 4.39Å; Y676-P712 HydrophobicContact CE2-CB 4.1Å; Y676-P712 HydrophobicContact CE2-CG 4Å; P712-G714 PolarHBondContact O-N 2.95Å
713	Y	92.1	Very high	95.8	Very high	23 Å²	23	28 Å²	28	9%	0.09	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-7.1	-171.9	42.5	-98.6	0	0	0	114.6	Q432 F446 P447 A450 L678 R710 A715	Q432-Y713 PolarHBondContact OE1-O 3.29Å; F446-Y713 AromaticContact CD1-CD2 3.86Å; F446-Y713 HydrophobicContact CD1-CD2 3.86Å; F446-Y713 HydrophobicContact CD1-CE2 4.3Å; F446-Y713 HydrophobicContact CE1-CD2 4.2Å; P447-Y713 HydrophobicContact CG-CE1 3.88Å; P447-Y713 HydrophobicContact CG-CE2 4.39Å; P447-Y713 VanDerWaalsContact CG-OH 3.28Å; P447-Y713 WeakPolarHBondContact CG-OH 3.44Å; A450-Y713 WeakPolarHBondContact CA-OH 3.06Å; A450-Y713 HydrophobicContact CB-CE2 3.7Å; L678-Y713 WeakPolarHBondContact CD2-O 3.33Å; R710-Y713 HydrophobicContact CB-CE2 3.98Å; R710-Y713 HydrophobicContact CG-CE2 3.59Å; R710-Y713 WeakPolarHBondContact CG-OH 3.44Å; Y713-A715 HydrophobicContact CD2-CB 4.03Å; Y713-A715 HydrophobicContact CE2-CB 3.86Å
714	G	93.5	Very high	95.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.			trans	84.6	18.2	167.3	0	0	0	0	0	116.3	Q432 R710 P712 S716	Q432-G714 PolarHBondContact NE2-O 2.93Å; Q432-G714 PolarHBondContact OE1-O 3.3Å; R710-G714 WeakPolarHBondContact O-CA 3.23Å; R710-G714 PolarHBondContact O-N 3.36Å; P712-G714 PolarHBondContact O-N 2.95Å; G714-S716 PolarHBondContact O-N 3.16Å
715	A	91.6	Very high	95.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.			trans	-53.1	132.7	-178.2	0	0	0	0	0	112	F446 A450 L451 W709 R710 Y713 I717	F446-A715 HydrophobicContact CD1-CB 3.93Å; F446-A715 HydrophobicContact CD2-CB 4.38Å; F446-A715 HydrophobicContact CE1-CB 3.83Å; F446-A715 HydrophobicContact CE2-CB 4.29Å; F446-A715 HydrophobicContact CG-CB 4.23Å; F446-A715 HydrophobicContact CZ-CB 4.04Å; A450-A715 HydrophobicContact CB-CB 3.91Å; L451-A715 HydrophobicContact CD2-CB 3.85Å; W709-A715 WeakPolarHBondContact CA-O 3.28Å; R710-A715 HydrophobicContact CB-CB 3.88Å; R710-A715 PolarHBondContact N-O 3.46Å; Y713-A715 HydrophobicContact CD2-CB 4.03Å; Y713-A715 HydrophobicContact CE2-CB 3.86Å; A715-I717 PolarHBondContact O-N 3.11Å; A715-I717 VanDerWaalsContact O-N 3.13Å
716	S	94.4	Very high	95.8	Very high	12 Å²	12	26.7 Å²	26.7	8%	0.084	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	101.2	-173.4	175.7	0	0	0	0	111.9	L451 G714 Q719	L451-S716 VanDerWaalsContact CD2-O 3.23Å; L451-S716 WeakPolarHBondContact CD2-O 3.45Å; G714-S716 PolarHBondContact O-N 3.16Å; S716-Q719 PolarHBondContact OG-NE2 3.28Å
717	I	94.6	Very high	95.8	Very high	20 Å²	20	29.1 Å²	29.1	10%	0.103	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-53.9	-177.3	-57.5	171.8	0	0	0	110.7	I456 P457 W696 A708 R710 A715	I456-I717 HydrophobicContact CG2-CD1 3.97Å; I456-I717 HydrophobicContact CG2-CG1 4.25Å; I456-I717 HydrophobicContact CG2-CG2 4.14Å; P457-I717 HydrophobicContact CB-CG2 4.16Å; P457-I717 WeakPolarHBondContact O-CG2 3.38Å; W696-I717 HydrophobicContact CB-CD1 3.52Å; W696-I717 HydrophobicContact CG-CD1 4.32Å; A708-I717 HydrophobicContact CB-CB 4.32Å; A708-I717 PolarHBondContact O-N 3.4Å; R710-I717 HydrophobicContact CB-CD1 4.24Å; R710-I717 HydrophobicContact CB-CG1 4.29Å; A715-I717 PolarHBondContact O-N 3.11Å; A715-I717 VanDerWaalsContact O-N 3.13Å
718	F	95.2	Very high	95.9	Very high	12 Å²	12	29.5 Å²	29.5	5%	0.053	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	163.5	172.6	67.1	-101.9	0	0	0	110.4	P457 A460 L706 A708 I738	P457-F718 HydrophobicContact CB-CD1 4.08Å; P457-F718 HydrophobicContact CB-CE1 3.82Å; P457-F718 HydrophobicContact CG-CE1 4.27Å; A460-F718 HydrophobicContact CB-CD2 4.13Å; A460-F718 HydrophobicContact CB-CE1 4.16Å; A460-F718 HydrophobicContact CB-CE2 3.53Å; A460-F718 HydrophobicContact CB-CZ 3.56Å; L706-F718 HydrophobicContact CD2-CE2 4.49Å; A708-F718 HydrophobicContact CB-CD1 3.62Å; A708-F718 HydrophobicContact CB-CD2 3.9Å; A708-F718 HydrophobicContact CB-CE1 3.37Å; A708-F718 HydrophobicContact CB-CE2 3.65Å; A708-F718 HydrophobicContact CB-CG 3.86Å; A708-F718 HydrophobicContact CB-CZ 3.38Å; A708-F718 PolarHBondContact N-O 3.1Å; F718-I738 HydrophobicContact CZ-CD1 3.8Å
719	Q	96.1	Very high	95.9	Very high	90 Å²	90	30 Å²	30	42%	0.421	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	138.4	173	-53.2	-178.9	18.6	0	0	108.7	L706 N707 S716	L706-Q719 CarbonylContact O-C 3.41Å; L706-Q719 WeakPolarHBondContact O-CA 3.02Å; N707-Q719 VanDerWaalsContact OD1-CG 3.28Å; N707-Q719 WeakPolarHBondContact OD1-CG 3.47Å; S716-Q719 PolarHBondContact OG-NE2 3.28Å
720	S	96.3	Very high	95.9	Very high	27 Å²	27	30.9 Å²	30.9	19%	0.189	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	131.7	171.9	-158.9	0	0	0	0	109.1	L706 Y750	L706-S720 PolarHBondContact N-O 3.45Å; L706-S720 PolarHBondContact O-N 3.14Å; S720-Y750 WeakPolarHBondContact OG-CE1 3.43Å; S720-Y750 PolarHBondContact OG-OH 2.97Å
721	K	95.9	Very high	96	Very high	159 Å²	159	30 Å²	30	69%	0.691	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.6	177.6	-174.2	167.4	-174.3	164.7	0	109.7	L705	L705-K721 HydrophobicContact CD2-CB 4.03Å; L705-K721 HydrophobicContact CD2-CD 4.44Å; L705-K721 HydrophobicContact CD2-CG 4.16Å
722	E	95.9	Very high	96	Very high	17 Å²	17	29.5 Å²	29.5	8%	0.079	16%	0.161	C	C	.	.			trans	-88.1	174.1	174.3	-69.6	-155.4	-129.3	0	0	112	N704 S724 V726 T740 T748 Y750	N704-E722 WeakPolarHBondContact CB-O 3.41Å; N704-E722 PolarHBondContact O-N 3.15Å; E722-S724 VanDerWaalsContact C-N 3.35Å; E722-V726 HydrophobicContact CB-CG2 3.73Å; E722-V726 HydrophobicContact CG-CG2 3.88Å; E722-T740 VanDerWaalsContact OE1-CB 3.22Å; E722-T740 WeakPolarHBondContact OE1-CB 3.5Å; E722-T740 PolarHBondContact OE1-OG1 3.02Å; E722-T748 PolarHBondContact OE2-OG1 3.43Å; E722-Y750 WeakPolarHBondContact CG-OH 3.16Å
723	S	95.3	Very high	95.9	Very high	82 Å²	82	30.5 Å²	30.5	57%	0.573	18%	0.175	S	C	*	.	S	Bend	trans	-78.7	-13.4	-178.9	34.1	0	0	0	0	114.5	D744 K746	S723-D744 PolarHBondContact OG-OD2 3.46Å; S723-K746 PolarHBondContact OG-NZ 3.32Å
724	S	97.2	Very high	96.1	Very high	32 Å²	32	32.3 Å²	32.3	22%	0.224	19%	0.187	C	C	.	.	S	Bend	trans	-157.9	177.6	178.4	-163	0	0	0	0	110.7	N704 E722 V726 C742	N704-S724 WeakPolarHBondContact CA-O 3.5Å; N704-S724 WeakPolarHBondContact CB-O 3.48Å; N704-S724 WeakPolarHBondContact OD1-CA 3.36Å; N704-S724 PolarHBondContact OD1-O 3.4Å; E722-S724 VanDerWaalsContact C-N 3.35Å; S724-V726 PolarHBondContact O-N 3.3Å; S724-C742 PolarHBondContact O-SG 2.97Å; S724-C742 VanDerWaalsContact O-SG 3.35Å
725	S	97.2	Very high	96.2	Very high	29 Å²	29	33 Å²	33	20%	0.203	19%	0.19	C	C	.	.			trans	-55.1	131.2	-178.3	-58.5	0	0	0	0	111.3	K702 N704 G743	K702-S725 PolarHBondContact O-OG 2.98Å; N704-S725 PolarHBondContact OD1-N 3.49Å; S725-G743 PolarHBondContact O-N 2.93Å
726	V	98.1	Very high	96.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	103.2	-175.3	-172.9	0	0	0	0	108.9	T700 G701 E722 S724 T740 G741	T700-V726 VanDerWaalsContact CB-O 3.28Å; T700-V726 WeakPolarHBondContact CB-O 3.33Å; T700-V726 HydrophobicContact CG2-CB 4.35Å; T700-V726 HydrophobicContact CG2-CG1 3.61Å; T700-V726 PolarHBondContact OG1-O 2.93Å; G701-V726 PolarHBondContact O-N 3.24Å; E722-V726 HydrophobicContact CB-CG2 3.73Å; E722-V726 HydrophobicContact CG-CG2 3.88Å; S724-V726 PolarHBondContact O-N 3.3Å; V726-T740 HydrophobicContact CG1-CG2 3.89Å; V726-G741 CarbonylContact C-O 3.6Å
727	L	98.1	Very high	96.6	Very high	51 Å²	51	40.1 Å²	40.1	27%	0.267	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-31.4	-163.2	-69.7	148.1	0	0	0	113.9	V471 L686 G741	V471-L727 HydrophobicContact CG1-CD1 3.29Å; L686-L727 HydrophobicContact CD1-CD2 4.05Å; L686-L727 HydrophobicContact CD1-CG 4.39Å; L727-G741 PolarHBondContact N-O 2.96Å
728	S	98.2	Very high	96.7	Very high	9 Å²	9	39.1 Å²	39.1	6%	0.063	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	151.4	-175.3	55.6	0	0	0	0	111	V472 C473 T740 G741	V472-S728 PolarHBondContact O-OG 3.39Å; C473-S728 WeakPolarHBondContact O-CB 3.44Å; S728-T740 CarbonylContact O-C 3.59Å; S728-T740 VanDerWaalsContact O-CA 3.31Å; S728-T740 WeakPolarHBondContact O-CA 3.43Å; S728-G741 PolarHBondContact N-O 2.94Å; S728-G741 PolarHBondContact O-N 3.14Å
729	C	98.3	Very high	96.9	Very high	11 Å²	11	38.6 Å²	38.6	7%	0.074	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	154.3	173.1	65.8	0	0	0	0	112.6	S687 V698 T700 V739 T740	S687-C729 PolarHBondContact OG-N 3.4Å; S687-C729 PolarHBondContact OG-SG 3.36Å; S687-C729 VanDerWaalsContact OG-SG 3.4Å; V698-C729 HydrophobicContact CG2-CB 4.32Å; T700-C729 HydrophobicContact CG2-CB 3.73Å; C729-V739 CarbonylContact C-O 3.48Å; C729-V739 VanDerWaalsContact CA-O 3.23Å; C729-V739 WeakPolarHBondContact CA-O 3.35Å; C729-T740 HydrophobicContact CB-CG2 4.42Å
730	D	98.4	Very high	97	Very high	17 Å²	17	34.3 Å²	34.3	9%	0.091	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.2	167	-161	19.1	0	0	0	110.8	V475 A476 I477 K689 I738 V739	V475-D730 HydrophobicContact CG2-CB 4.15Å; A476-D730 VanDerWaalsContact CA-OD2 3.31Å; A476-D730 WeakPolarHBondContact CA-OD2 3.28Å; I477-D730 PolarHBondContact N-OD2 2.86Å; K689-D730 IonicContact NZ-OD1 3.52Å; K689-D730 PolarHBondContact NZ-OD1 3.45Å; D730-I738 WeakPolarHBondContact O-CA 3.42Å; D730-V739 PolarHBondContact N-O 3.38Å; D730-V739 PolarHBondContact O-N 2.94Å
731	I	98	Very high	97.1	Very high	6 Å²	6	33 Å²	33	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.9	-179.3	-56.7	-178.7	0	0	0	108.3	K689 A691 W696 V698 Y737 I738	K689-I731 HydrophobicContact CB-CD1 4.3Å; K689-I731 HydrophobicContact CB-CG1 4.25Å; K689-I731 HydrophobicContact CG-CB 4.19Å; K689-I731 HydrophobicContact CG-CD1 4.08Å; K689-I731 HydrophobicContact CG-CG1 3.83Å; K689-I731 WeakPolarHBondContact O-CD1 3.49Å; A691-I731 HydrophobicContact CB-CD1 4.44Å; W696-I731 HydrophobicContact CH2-CD1 4.17Å; W696-I731 HydrophobicContact CZ3-CD1 4.1Å; V698-I731 HydrophobicContact CG1-CD1 4.28Å; V698-I731 HydrophobicContact CG2-CD1 4.09Å; V698-I731 HydrophobicContact CG2-CG1 4.46Å; I731-Y737 WeakPolarHBondContact CA-O 3.37Å; I731-I738 HydrophobicContact CG1-CG1 4.28Å
732	S	96.6	Very high	97.1	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	15%	0.149	C	C	.	.			trans	-62.9	149.7	178.2	66.3	0	0	0	0	112.2	D734 D735 K736 Y737	S732-D734 VanDerWaalsContact CB-OD1 3.28Å; S732-D734 WeakPolarHBondContact CB-OD1 3.38Å; S732-D734 PolarHBondContact O-N 3.17Å; S732-D734 PolarHBondContact OG-OD1 3.35Å; S732-D735 PolarHBondContact O-N 3.35Å; S732-K736 PolarHBondContact OG-N 2.9Å; S732-Y737 PolarHBondContact N-O 2.89Å; S732-Y737 PolarHBondContact OG-N 3.42Å
733	G	93.8	Very high	97.1	Very high	42 Å²	42	25.5 Å²	25.5	43%	0.433	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-5.8	179.9	0	0	0	0	0	115.1
734	D	94.9	Very high	97.1	Very high	62 Å²	62	24 Å²	24	33%	0.332	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	11.4	173.5	73.9	-30.6	0	0	0	113.9	T481 S732 K736	T481-D734 PolarHBondContact OG1-OD1 2.88Å; S732-D734 VanDerWaalsContact CB-OD1 3.28Å; S732-D734 WeakPolarHBondContact CB-OD1 3.38Å; S732-D734 PolarHBondContact O-N 3.17Å; S732-D734 PolarHBondContact OG-OD1 3.35Å; D734-K736 WeakPolarHBondContact O-CG 3.45Å; D734-K736 PolarHBondContact O-N 3.41Å; D734-K736 WeakPolarHBondContact OD2-CD 3.45Å; D734-K736 WeakPolarHBondContact OD2-CG 3.49Å; D734-K736 IonicContact OD2-NZ 3.47Å; D734-K736 PolarHBondContact OD2-NZ 3.48Å
735	D	96.9	Very high	97	Very high	14 Å²	14	29.2 Å²	29.2	8%	0.075	16%	0.155	C	C	.	.	S	Bend	trans	58.4	10.2	179	-66.3	-22.4	0	0	0	116.1	A691 Q692 C693 W696 S732 V752 F754	A691-D735 WeakPolarHBondContact CA-OD1 3.49Å; Q692-D735 WeakPolarHBondContact CB-OD1 3.45Å; Q692-D735 PolarHBondContact N-OD1 3.03Å; Q692-D735 PolarHBondContact N-OD2 3.26Å; C693-D735 VanDerWaalsContact CB-OD2 3.27Å; C693-D735 WeakPolarHBondContact CB-OD2 3.45Å; C693-D735 PolarHBondContact N-OD2 3.32Å; C693-D735 PolarHBondContact SG-OD2 2.98Å; W696-D735 HydrophobicContact CZ2-CB 4.3Å; S732-D735 PolarHBondContact O-N 3.35Å; D735-V752 WeakPolarHBondContact O-CB 3.26Å; D735-V752 WeakPolarHBondContact O-CG2 3.32Å; D735-F754 HydrophobicContact CB-CZ 4.18Å; D735-F754 WeakPolarHBondContact O-CE2 3.27Å; D735-F754 WeakPolarHBondContact O-CZ 3.39Å
736	K	96.2	Very high	97	Very high	107 Å²	107	29 Å²	29	47%	0.465	15%	0.15	S	C	.	.	S	Bend	trans	-86.9	-20.4	-177	-64.4	-160.7	-162.6	101.4	0	115.2	S732 D734 E751 V752	S732-K736 PolarHBondContact OG-N 2.9Å; D734-K736 WeakPolarHBondContact O-CG 3.45Å; D734-K736 PolarHBondContact O-N 3.41Å; D734-K736 WeakPolarHBondContact OD2-CD 3.45Å; D734-K736 WeakPolarHBondContact OD2-CG 3.49Å; D734-K736 IonicContact OD2-NZ 3.47Å; D734-K736 PolarHBondContact OD2-NZ 3.48Å; K736-E751 WeakPolarHBondContact O-CA 3.46Å; K736-V752 PolarHBondContact O-N 2.89Å
737	Y	96.9	Very high	96.9	Very high	54 Å²	54	29 Å²	29	21%	0.212	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138.8	-176.2	-60.4	-82.9	0	0	0	111.6	L463 T481 I731 S732 L749 Y750 E751	L463-Y737 HydrophobicContact CD1-CD1 4.43Å; L463-Y737 HydrophobicContact CD1-CE1 3.88Å; T481-Y737 HydrophobicContact CG2-CD2 3.44Å; T481-Y737 VanDerWaalsContact CG2-CD2 3.44Å; T481-Y737 HydrophobicContact CG2-CE2 3.88Å; T481-Y737 HydrophobicContact CG2-CG 4.18Å; I731-Y737 WeakPolarHBondContact CA-O 3.37Å; S732-Y737 PolarHBondContact N-O 2.89Å; S732-Y737 PolarHBondContact OG-N 3.42Å; Y737-L749 HydrophobicContact CD1-CD1 4.1Å; Y737-L749 HydrophobicContact CD1-CG 4.49Å; Y737-L749 HydrophobicContact CG-CD1 4.45Å; Y737-Y750 VanDerWaalsContact CA-O 3.26Å; Y737-Y750 WeakPolarHBondContact CA-O 3.39Å; Y737-E751 HydrophobicContact CD1-CB 4.48Å; Y737-E751 HydrophobicContact CE1-CB 4.34Å; Y737-E751 HydrophobicContact CE1-CG 4.43Å
738	I	98.1	Very high	96.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.9	168.8	-57.2	160.2	0	0	0	106.9	W696 V698 L706 F718 D730 I731 T740 Y750 V752	W696-I738 HydrophobicContact CH2-CD1 4.01Å; W696-I738 HydrophobicContact CH2-CG1 4.25Å; W696-I738 HydrophobicContact CZ3-CD1 4.02Å; V698-I738 HydrophobicContact CG1-CD1 4.13Å; L706-I738 HydrophobicContact CD2-CG2 4.37Å; F718-I738 HydrophobicContact CZ-CD1 3.8Å; D730-I738 WeakPolarHBondContact O-CA 3.42Å; I731-I738 HydrophobicContact CG1-CG1 4.28Å; I738-T740 HydrophobicContact CG2-CG2 4.32Å; I738-Y750 PolarHBondContact N-O 3.39Å; I738-Y750 PolarHBondContact O-N 3.4Å; I738-V752 HydrophobicContact CD1-CG2 3.71Å; I738-V752 HydrophobicContact CG1-CG2 3.7Å
739	V	97.8	Very high	96.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.5	168.9	-179.1	0	0	0	0	108.2	V475 I477 V484 C729 D730 A747 T748 L749	V475-V739 HydrophobicContact CB-CG1 3.91Å; V475-V739 HydrophobicContact CG1-CG1 3.95Å; V475-V739 HydrophobicContact CG2-CG1 4.21Å; I477-V739 HydrophobicContact CD1-CG2 3.95Å; V484-V739 HydrophobicContact CG1-CB 4.5Å; V484-V739 HydrophobicContact CG1-CG1 3.77Å; V484-V739 HydrophobicContact CG1-CG2 4.01Å; V484-V739 HydrophobicContact CG2-CG2 3.81Å; C729-V739 CarbonylContact C-O 3.48Å; C729-V739 VanDerWaalsContact CA-O 3.23Å; C729-V739 WeakPolarHBondContact CA-O 3.35Å; D730-V739 PolarHBondContact N-O 3.38Å; D730-V739 PolarHBondContact O-N 2.94Å; V739-A747 HydrophobicContact CG1-CB 4.36Å; V739-T748 WeakPolarHBondContact CA-O 3.44Å; V739-L749 HydrophobicContact CG2-CD1 3.69Å
740	T	98.5	Very high	96.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.8	172.4	55	0	0	0	0	111.1	T700 L706 E722 V726 S728 C729 I738 A747 T748 Y750	T700-T740 HydrophobicContact CG2-CG2 4.41Å; L706-T740 HydrophobicContact CD1-CG2 4.08Å; L706-T740 HydrophobicContact CD2-CG2 4.01Å; L706-T740 HydrophobicContact CG-CG2 4.48Å; E722-T740 VanDerWaalsContact OE1-CB 3.22Å; E722-T740 WeakPolarHBondContact OE1-CB 3.5Å; E722-T740 PolarHBondContact OE1-OG1 3.02Å; V726-T740 HydrophobicContact CG1-CG2 3.89Å; S728-T740 CarbonylContact O-C 3.59Å; S728-T740 VanDerWaalsContact O-CA 3.31Å; S728-T740 WeakPolarHBondContact O-CA 3.43Å; C729-T740 HydrophobicContact CB-CG2 4.42Å; I738-T740 HydrophobicContact CG2-CG2 4.32Å; T740-A747 CarbonylContact O-C 3.54Å; T740-A747 WeakPolarHBondContact O-CA 3.37Å; T740-A747 WeakPolarHBondContact O-CB 2.96Å; T740-T748 PolarHBondContact N-O 2.98Å; T740-T748 PolarHBondContact O-N 3.27Å; T740-T748 WeakPolarHBondContact OG1-CB 3.41Å; T740-T748 PolarHBondContact OG1-O 3.41Å; T740-Y750 HydrophobicContact CG2-CE2 4.26Å
741	G	98	Very high	96.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.9	170.5	0	0	0	0	0	110.8	V472 V726 L727 S728	V472-G741 CarbonylContact O-C 3.51Å; V726-G741 CarbonylContact C-O 3.6Å; L727-G741 PolarHBondContact N-O 2.96Å; S728-G741 PolarHBondContact N-O 2.94Å; S728-G741 PolarHBondContact O-N 3.14Å
742	C	96.6	Very high	96.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	149.2	-166.6	-162.4	0	0	0	0	113.1	S724 D744 R745 K746	S724-C742 PolarHBondContact O-SG 2.97Å; S724-C742 VanDerWaalsContact O-SG 3.35Å; C742-D744 WeakPolarHBondContact CB-OD1 3.45Å; C742-D744 PolarHBondContact O-N 3.4Å; C742-D744 PolarHBondContact SG-OD1 3.06Å; C742-D744 VanDerWaalsContact SG-OD1 3.34Å; C742-R745 PolarHBondContact O-N 3Å; C742-K746 WeakPolarHBondContact CB-O 3.34Å; C742-K746 PolarHBondContact N-O 3.33Å
743	G	95.9	Very high	96.5	Very high	19 Å²	19	30.2 Å²	30.2	20%	0.196	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19	179.2	0	0	0	0	0	114.7	S725 R745	S725-G743 PolarHBondContact O-N 2.93Å; G743-R745 PolarHBondContact O-N 2.67Å
744	D	94.5	Very high	96.5	Very high	50 Å²	50	32.7 Å²	32.7	27%	0.267	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	15	175.9	70.8	-10.5	0	0	0	114.1	S723 C742 K746	S723-D744 PolarHBondContact OG-OD2 3.46Å; C742-D744 WeakPolarHBondContact CB-OD1 3.45Å; C742-D744 PolarHBondContact O-N 3.4Å; C742-D744 PolarHBondContact SG-OD1 3.06Å; C742-D744 VanDerWaalsContact SG-OD1 3.34Å; D744-K746 WeakPolarHBondContact OD1-CG 3.37Å; D744-K746 IonicContact OD1-NZ 2.67Å; D744-K746 IonicContact OD2-NZ 3.74Å; D744-K746 PolarHBondContact OD2-NZ 3.37Å
745	R	96.5	Very high	96.6	Very high	141 Å²	141	31.3 Å²	31.3	53%	0.532	14%	0.143	S	C	.	.	S	Bend	trans	74	27.9	170.6	-49.4	179.1	-67	-95.8	-7.6	114.9	H468 G469 E470 V471 C742 G743	H468-R745 PolarHBondContact N-O 3.06Å; G469-R745 PolarHBondContact N-O 3.29Å; G469-R745 WeakPolarHBondContact O-CD 3.33Å; E470-R745 CarbonylContact O-C 3.54Å; E470-R745 WeakPolarHBondContact O-CA 3.47Å; E470-R745 WeakPolarHBondContact O-CB 3.4Å; V471-R745 HydrophobicContact CG2-CG 4.12Å; C742-R745 PolarHBondContact O-N 3Å; G743-R745 PolarHBondContact O-N 2.67Å
746	K	96	Very high	96.6	Very high	26 Å²	26	32.2 Å²	32.2	11%	0.113	15%	0.147	C	C	.	.			trans	-127.4	168.8	167.9	59.9	144.9	-164.8	-79.9	0	111.6	S465 L466 V472 S723 C742 D744 T748	S465-K746 WeakPolarHBondContact OG-CD 3.35Å; L466-K746 CarbonylContact O-C 3.57Å; L466-K746 VanDerWaalsContact O-CA 3.28Å; L466-K746 WeakPolarHBondContact O-CA 3.49Å; L466-K746 WeakPolarHBondContact O-CB 3.39Å; V472-K746 WeakPolarHBondContact CG2-O 3.31Å; S723-K746 PolarHBondContact OG-NZ 3.32Å; C742-K746 WeakPolarHBondContact CB-O 3.34Å; C742-K746 PolarHBondContact N-O 3.33Å; D744-K746 WeakPolarHBondContact OD1-CG 3.37Å; D744-K746 IonicContact OD1-NZ 2.67Å; D744-K746 IonicContact OD2-NZ 3.74Å; D744-K746 PolarHBondContact OD2-NZ 3.37Å; K746-T748 WeakPolarHBondContact CE-OG1 3.24Å
747	A	97.3	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.1	158.5	0	0	0	0	0	109.9	S465 L466 V472 V475 T486 V739 T740	S465-A747 CarbonylContact C-O 3.57Å; L466-A747 HydrophobicContact CB-CB 4.24Å; L466-A747 HydrophobicContact CD1-CB 4.48Å; L466-A747 PolarHBondContact N-O 3.12Å; L466-A747 PolarHBondContact O-N 2.87Å; V472-A747 HydrophobicContact CG1-CB 4.38Å; V475-A747 HydrophobicContact CG1-CB 4.3Å; T486-A747 HydrophobicContact CG2-CB 3.53Å; V739-A747 HydrophobicContact CG1-CB 4.36Å; T740-A747 CarbonylContact O-C 3.54Å; T740-A747 WeakPolarHBondContact O-CA 3.37Å; T740-A747 WeakPolarHBondContact O-CB 2.96Å
748	T	96.6	Very high	96.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.8	179.2	-54.1	0	0	0	0	109.8	Q462 E722 V739 T740 K746 Y750	Q462-T748 HydrophobicContact CG-CG2 3.61Å; Q462-T748 VanDerWaalsContact NE2-CG2 3.28Å; E722-T748 PolarHBondContact OE2-OG1 3.43Å; V739-T748 WeakPolarHBondContact CA-O 3.44Å; T740-T748 PolarHBondContact N-O 2.98Å; T740-T748 PolarHBondContact O-N 3.27Å; T740-T748 WeakPolarHBondContact OG1-CB 3.41Å; T740-T748 PolarHBondContact OG1-O 3.41Å; K746-T748 WeakPolarHBondContact CE-OG1 3.24Å; T748-Y750 HydrophobicContact CG2-CD2 3.94Å; T748-Y750 HydrophobicContact CG2-CE1 4.35Å; T748-Y750 HydrophobicContact CG2-CE2 3.36Å
749	L	96	Very high	96.5	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.026	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.8	172.8	178.6	70.5	0	0	0	109.4	L463 S464 I497 Y737 V739	L463-L749 HydrophobicContact CB-CD2 4.4Å; L463-L749 HydrophobicContact CD1-CD2 4.41Å; L463-L749 PolarHBondContact N-O 2.94Å; S464-L749 PolarHBondContact N-O 3.43Å; S464-L749 PolarHBondContact O-N 3.1Å; S464-L749 WeakPolarHBondContact OG-CB 3.44Å; I497-L749 HydrophobicContact CB-CD2 4.07Å; I497-L749 HydrophobicContact CD1-CD2 4.3Å; I497-L749 HydrophobicContact CG2-CD2 3.83Å; Y737-L749 HydrophobicContact CD1-CD1 4.1Å; Y737-L749 HydrophobicContact CD1-CG 4.49Å; Y737-L749 HydrophobicContact CG-CD1 4.45Å; V739-L749 HydrophobicContact CG2-CD1 3.69Å
750	Y	97	Very high	96.4	Very high	4 Å²	4	30 Å²	30	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	143.9	173.8	-62.2	-97.4	0	0	0	111	A460 R461 Q462 L706 S720 E722 Y737 I738 T740 T748	A460-Y750 HydrophobicContact CB-CD1 4.03Å; A460-Y750 HydrophobicContact CB-CG 4.4Å; R461-Y750 CarbonylContact O-C 3.6Å; R461-Y750 WeakPolarHBondContact O-CA 3.37Å; Q462-Y750 HydrophobicContact CB-CD1 4.07Å; Q462-Y750 HydrophobicContact CB-CE1 3.98Å; L706-Y750 HydrophobicContact CD2-CD2 4.23Å; L706-Y750 HydrophobicContact CD2-CE2 3.99Å; S720-Y750 WeakPolarHBondContact OG-CE1 3.43Å; S720-Y750 PolarHBondContact OG-OH 2.97Å; E722-Y750 WeakPolarHBondContact CG-OH 3.16Å; Y737-Y750 VanDerWaalsContact CA-O 3.26Å; Y737-Y750 WeakPolarHBondContact CA-O 3.39Å; I738-Y750 PolarHBondContact N-O 3.39Å; I738-Y750 PolarHBondContact O-N 3.4Å; T740-Y750 HydrophobicContact CG2-CE2 4.26Å; T748-Y750 HydrophobicContact CG2-CD2 3.94Å; T748-Y750 HydrophobicContact CG2-CE1 4.35Å; T748-Y750 HydrophobicContact CG2-CE2 3.36Å
751	E	96.5	Very high	96.3	Very high	46 Å²	46	32.1 Å²	32.1	22%	0.215	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.6	165.7	-179.2	-175.1	-141.8	0	0	109.5	A460 R461 L463 K736 Y737 I753	A460-E751 CarbonylContact C-O 3.55Å; A460-E751 WeakPolarHBondContact CA-O 3.47Å; R461-E751 IonicContact CZ-OE2 3.73Å; R461-E751 PolarHBondContact N-O 2.67Å; R461-E751 IonicContact NE-OE2 3.99Å; R461-E751 PolarHBondContact NE-OE2 2.84Å; R461-E751 IonicContact NH2-OE1 3.18Å; R461-E751 IonicContact NH2-OE2 2.68Å; R461-E751 PolarHBondContact NH2-OE2 3.45Å; R461-E751 PolarHBondContact O-N 2.86Å; L463-E751 HydrophobicContact CD1-CB 3.79Å; L463-E751 HydrophobicContact CD2-CB 4.15Å; L463-E751 HydrophobicContact CG-CB 3.81Å; K736-E751 WeakPolarHBondContact O-CA 3.46Å; Y737-E751 HydrophobicContact CD1-CB 4.48Å; Y737-E751 HydrophobicContact CE1-CB 4.34Å; Y737-E751 HydrophobicContact CE1-CG 4.43Å; E751-I753 HydrophobicContact CG-CD1 3.98Å
752	V	96.9	Very high	96.1	Very high	8 Å²	8	34.6 Å²	34.6	5%	0.048	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	116.4	-179.9	-173.9	0	0	0	0	108.8	P457 W696 D735 K736 I738 F754	P457-V752 HydrophobicContact CB-CG1 3.65Å; P457-V752 HydrophobicContact CG-CG1 3.53Å; W696-V752 HydrophobicContact CH2-CG1 4.14Å; W696-V752 HydrophobicContact CH2-CG2 4.06Å; W696-V752 HydrophobicContact CZ2-CG1 4.07Å; D735-V752 WeakPolarHBondContact O-CB 3.26Å; D735-V752 WeakPolarHBondContact O-CG2 3.32Å; K736-V752 PolarHBondContact O-N 2.89Å; I738-V752 HydrophobicContact CD1-CG2 3.71Å; I738-V752 HydrophobicContact CG1-CG2 3.7Å; V752-F754 HydrophobicContact CB-CE2 3.95Å; V752-F754 HydrophobicContact CB-CZ 4.28Å; V752-F754 HydrophobicContact CG1-CD2 4.2Å; V752-F754 HydrophobicContact CG1-CE1 4.08Å; V752-F754 HydrophobicContact CG1-CE2 3.58Å; V752-F754 HydrophobicContact CG1-CZ 3.52Å
753	I	96.3	Very high	96.1	Very high	56 Å²	56	37.5 Å²	37.5	29%	0.287	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	108.9	-179.6	-51.4	-58.1	0	0	0	108.4	R458 N459 R461 E751	R458-I753 PolarHBondContact N-O 3.05Å; N459-I753 PolarHBondContact N-O 2.94Å; N459-I753 WeakPolarHBondContact O-CB 3.44Å; N459-I753 PolarHBondContact O-N 2.78Å; R461-I753 HydrophobicContact CB-CD1 4.39Å; R461-I753 HydrophobicContact CB-CG1 4.24Å; E751-I753 HydrophobicContact CG-CD1 3.98Å
754	F	93.8	Very high	96.1	Very high	95 Å²	95	39.2 Å²	39.2	42%	0.417	18%	0.175	S	C	.	.			trans	-87.2	0	172.9	-63.2	-82.5	0	0	0	111.5	P457 R458 W696 D735 V752	P457-F754 HydrophobicContact CG-CD1 4.38Å; P457-F754 HydrophobicContact CG-CE1 3.81Å; P457-F754 HydrophobicContact CG-CZ 4.35Å; R458-F754 VanDerWaalsContact NE-C 3.3Å; R458-F754 PolarHBondContact NE-O 2.82Å; R458-F754 PolarHBondContact NE-OXT 3.31Å; R458-F754 PolarHBondContact NH2-O 3.01Å; W696-F754 HydrophobicContact CZ2-CZ 4.19Å; D735-F754 HydrophobicContact CB-CZ 4.18Å; D735-F754 WeakPolarHBondContact O-CE2 3.27Å; D735-F754 WeakPolarHBondContact O-CZ 3.39Å; V752-F754 HydrophobicContact CB-CE2 3.95Å; V752-F754 HydrophobicContact CB-CZ 4.28Å; V752-F754 HydrophobicContact CG1-CD2 4.2Å; V752-F754 HydrophobicContact CG1-CE1 4.08Å; V752-F754 HydrophobicContact CG1-CE2 3.58Å; V752-F754 HydrophobicContact CG1-CZ 3.52Å

Retrieved 754 of 754 residues in 407.9 ms (Link to these results)

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