A0A3B3UNI2_9TELE Loading...

Cysteine-rich with EGF-like domains 2

AlphaFold DB , UniProt , Accession A0A3B3UNI2, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 358 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	39.9	Very low	40	Very low	241 Å²	241	157.8 Å²	157.8	100%	1.187	84%	0.835	S	S	*	*				0	146.5	0	-80.7	-173.6	161.4	0	0	108.3
2	L	31.2	Very low	40.6	Very low	176 Å²	176	155.2 Å²	155.2	92%	0.921	82%	0.82	S	S	*	*			trans	95.3	99.1	175.7	-63.5	149.5	0	0	0	116
3	S	35.7	Very low	41.3	Very low	108 Å²	108	148.6 Å²	148.6	76%	0.755	80%	0.795	S	S	*	*			trans	-60.4	172.7	156.2	-58	0	0	0	0	111.6
4	P	43.7	Very low	41.9	Very low	136 Å²	136	143.6 Å²	143.6	88%	0.883	78%	0.776	S	S	*	*				-135.9	153.8	98.7	32.7	-18.8	0	0	0	114.5
5	C	35.4	Very low	42.6	Very low	107 Å²	107	138.7 Å²	138.7	72%	0.723	76%	0.757	S	S	*	*			trans	-121.7	136	168.4	-167.5	0	0	0	0	107.7
6	L	33.4	Very low	43.2	Very low	151 Å²	151	136.1 Å²	136.1	79%	0.791	74%	0.74	S	S	*	*			trans	72.2	156.6	162.9	-75.3	145.8	0	0	0	120.2
7	P	43.7	Very low	43.8	Very low	102 Å²	102	133.9 Å²	133.9	66%	0.662	73%	0.727	S	S	*	*			cis	-134.6	149.3	-2.1	28.9	-6.6	0	0	0	117.5	M9	P7-M9 PolarHBondContact O-N 2.99Å
8	Q	40.9	Very low	44.3	Very low	194 Å²	194	131.7 Å²	131.7	91%	0.907	71%	0.714	S	S	*	*			trans	-74.2	100.8	153.1	-86.2	175.6	-31.7	0	0	109.2
9	M	42.5	Very low	44.8	Very low	151 Å²	151	129.2 Å²	129.2	74%	0.744	70%	0.703	S	S	*	*			trans	-154.3	59.8	172.5	-98	-80.2	143.6	0	0	109.6	P7	P7-M9 PolarHBondContact O-N 2.99Å
10	R	47.6	Very low	45.1	Very low	224 Å²	224	127.7 Å²	127.7	85%	0.845	69%	0.694	S	S	*	*	S	Bend	trans	-146.2	14.8	174.5	-79.4	-153	179.7	-158.9	1.5	116.4
11	L	46.6	Very low	45.3	Very low	146 Å²	146	127.2 Å²	127.2	76%	0.764	69%	0.69	S	S	*	*	S	Bend	trans	-106	-18.4	178.4	-82.4	154.9	0	0	0	114.3	S15	L11-S15 PolarHBondContact O-OG 3.15Å
12	L	46.3	Very low	45.6	Very low	126 Å²	126	122.8 Å²	122.8	66%	0.66	67%	0.665	S	S	*	*	H	α-helix	trans	-79.9	-29.8	177.4	-82.1	150.1	0	0	0	113.1	I16	L12-I16 WeakPolarHBondContact O-CD1 3.48Å; L12-I16 VanDerWaalsContact O-CG1 3.23Å; L12-I16 WeakPolarHBondContact O-CG1 3.45Å; L12-I16 PolarHBondContact O-N 3.38Å
13	S	50.4	Low	46.4	Very low	70 Å²	70	119.9 Å²	119.9	49%	0.49	65%	0.646	S	S	.	*	H	α-helix	trans	-72.2	-33.9	-178.9	54.3	0	0	0	0	113.1	I17	S13-I17 WeakPolarHBondContact O-CD1 3.43Å; S13-I17 WeakPolarHBondContact O-CG1 3.4Å; S13-I17 PolarHBondContact O-N 2.82Å
14	C	48.9	Very low	47.2	Very low	78 Å²	78	116.7 Å²	116.7	53%	0.527	63%	0.626	S	S	.	*	H	α-helix	trans	-72.4	-39.2	-180	-134.6	0	0	0	0	111.7	I17 L18	C14-I17 PolarHBondContact O-N 3.45Å; C14-L18 PolarHBondContact O-N 2.86Å; C14-L18 VanDerWaalsContact O-N 3.08Å
15	S	52.4	Low	47.6	Very low	70 Å²	70	112.2 Å²	112.2	49%	0.49	61%	0.605	S	S	.	*	H	α-helix	trans	-68.7	-36.7	177.8	-49.8	0	0	0	0	112.5	L11 V19	L11-S15 PolarHBondContact O-OG 3.15Å; S15-V19 VanDerWaalsContact O-CG2 3.25Å; S15-V19 WeakPolarHBondContact O-CG2 3.4Å; S15-V19 PolarHBondContact O-N 2.9Å
16	I	52.4	Low	48.7	Very low	97 Å²	97	112.3 Å²	112.3	50%	0.497	60%	0.598	S	S	.	*	H	α-helix	trans	-67.7	-39.9	175.8	-66.9	166.1	0	0	0	111	L12 V19 L20	L12-I16 WeakPolarHBondContact O-CD1 3.48Å; L12-I16 VanDerWaalsContact O-CG1 3.23Å; L12-I16 WeakPolarHBondContact O-CG1 3.45Å; L12-I16 PolarHBondContact O-N 3.38Å; I16-V19 PolarHBondContact O-N 2.81Å; I16-L20 HydrophobicContact CG2-CD1 3.86Å; I16-L20 HydrophobicContact CG2-CG 4.37Å; I16-L20 WeakPolarHBondContact O-CB 3.47Å; I16-L20 VanDerWaalsContact O-CG 3.27Å; I16-L20 WeakPolarHBondContact O-CG 3.31Å; I16-L20 PolarHBondContact O-N 3.49Å
17	I	53.7	Low	50	Low	99 Å²	99	109 Å²	109	51%	0.508	58%	0.584	S	S	.	*	H	α-helix	trans	-65.8	-41.5	177.2	-67.4	165.9	0	0	0	111.1	S13 C14 L20 L21	S13-I17 WeakPolarHBondContact O-CD1 3.43Å; S13-I17 WeakPolarHBondContact O-CG1 3.4Å; S13-I17 PolarHBondContact O-N 2.82Å; C14-I17 PolarHBondContact O-N 3.45Å; I17-L20 PolarHBondContact O-N 3.05Å; I17-L21 HydrophobicContact CG2-CD1 3.91Å; I17-L21 HydrophobicContact CG2-CG 4.49Å; I17-L21 WeakPolarHBondContact O-CB 3.44Å; I17-L21 VanDerWaalsContact O-CG 3.24Å; I17-L21 WeakPolarHBondContact O-CG 3.4Å; I17-L21 PolarHBondContact O-N 2.98Å
18	L	53	Low	50.7	Low	95 Å²	95	110.6 Å²	110.6	50%	0.497	58%	0.581	S	S	.	*	H	α-helix	trans	-63.1	-44	174.4	-100	144.1	0	0	0	112.2	C14 L21 F22	C14-L18 PolarHBondContact O-N 2.86Å; C14-L18 VanDerWaalsContact O-N 3.08Å; L18-L21 PolarHBondContact O-N 2.81Å; L18-F22 HydrophobicContact CD2-CD2 4.35Å; L18-F22 HydrophobicContact CD2-CE2 4.03Å; L18-F22 WeakPolarHBondContact O-CD2 3.42Å; L18-F22 PolarHBondContact O-N 3.01Å
19	V	54.2	Low	51.7	Low	83 Å²	83	110.8 Å²	110.8	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-65.1	-40	177.6	171.9	0	0	0	0	112	S15 I16 F22 Q23	S15-V19 VanDerWaalsContact O-CG2 3.25Å; S15-V19 WeakPolarHBondContact O-CG2 3.4Å; S15-V19 PolarHBondContact O-N 2.9Å; I16-V19 PolarHBondContact O-N 2.81Å; V19-F22 PolarHBondContact O-N 3.28Å; V19-Q23 WeakPolarHBondContact O-CG 3.44Å; V19-Q23 PolarHBondContact O-N 2.72Å
20	L	49.9	Very low	53.2	Low	100 Å²	100	108.2 Å²	108.2	52%	0.524	56%	0.563	S	S	.	*	H	α-helix	trans	-66.7	-36.3	175.6	-72	170	0	0	0	112.4	I16 I17 A24	I16-L20 HydrophobicContact CG2-CD1 3.86Å; I16-L20 HydrophobicContact CG2-CG 4.37Å; I16-L20 WeakPolarHBondContact O-CB 3.47Å; I16-L20 VanDerWaalsContact O-CG 3.27Å; I16-L20 WeakPolarHBondContact O-CG 3.31Å; I16-L20 PolarHBondContact O-N 3.49Å; I17-L20 PolarHBondContact O-N 3.05Å; L20-A24 WeakPolarHBondContact O-CB 3.42Å; L20-A24 PolarHBondContact O-N 2.84Å
21	L	50.5	Low	54.5	Low	118 Å²	118	101 Å²	101	62%	0.618	54%	0.541	S	S	*	.	H	α-helix	trans	-69.4	-37	175.4	-73.1	168.6	0	0	0	112.3	I17 L18 G25	I17-L21 HydrophobicContact CG2-CD1 3.91Å; I17-L21 HydrophobicContact CG2-CG 4.49Å; I17-L21 WeakPolarHBondContact O-CB 3.44Å; I17-L21 VanDerWaalsContact O-CG 3.24Å; I17-L21 WeakPolarHBondContact O-CG 3.4Å; I17-L21 PolarHBondContact O-N 2.98Å; L18-L21 PolarHBondContact O-N 2.81Å; L21-G25 PolarHBondContact O-N 3.42Å
22	F	45.6	Very low	56.1	Low	148 Å²	148	98.7 Å²	98.7	65%	0.649	52%	0.524	S	S	*	.	H	α-helix	trans	-66.2	-44.7	173.4	-93.7	-84.6	0	0	0	112	L18 V19 A24 G25 D26	L18-F22 HydrophobicContact CD2-CD2 4.35Å; L18-F22 HydrophobicContact CD2-CE2 4.03Å; L18-F22 WeakPolarHBondContact O-CD2 3.42Å; L18-F22 PolarHBondContact O-N 3.01Å; V19-F22 PolarHBondContact O-N 3.28Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 3.19Å; F22-G25 PolarHBondContact O-N 3.47Å; F22-D26 PolarHBondContact O-N 2.7Å
23	Q	48.3	Very low	58.1	Low	114 Å²	114	95.1 Å²	95.1	53%	0.533	51%	0.51	S	S	.	.	H	α-helix	trans	-64.8	-33.8	176.9	-72.2	179.7	-21.9	0	0	113.3	V19 G25 T27	V19-Q23 WeakPolarHBondContact O-CG 3.44Å; V19-Q23 PolarHBondContact O-N 2.72Å; Q23-G25 VanDerWaalsContact C-N 3.31Å; Q23-T27 WeakPolarHBondContact O-CG2 3.22Å; Q23-T27 PolarHBondContact O-N 3.37Å; Q23-T27 PolarHBondContact O-OG1 2.93Å
24	A	52	Low	60.1	Low	41 Å²	41	92.9 Å²	92.9	34%	0.339	50%	0.496	S	S	.	.	H	α-helix	trans	-71	-25.3	175.5	0	0	0	0	0	113.2	L20 F22 T27 K28	L20-A24 WeakPolarHBondContact O-CB 3.42Å; L20-A24 PolarHBondContact O-N 2.84Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 3.19Å; A24-T27 WeakPolarHBondContact CA-OG1 3.49Å; A24-T27 PolarHBondContact O-OG1 3.03Å; A24-K28 WeakPolarHBondContact O-CG 3.38Å
25	G	53	Low	62.4	Low	42 Å²	42	89.6 Å²	89.6	43%	0.433	47%	0.474	S	S	.	.	H	α-helix	trans	-75.1	-44.4	174.7	0	0	0	0	0	112.7	L21 F22 Q23 R29	L21-G25 PolarHBondContact O-N 3.42Å; F22-G25 PolarHBondContact O-N 3.47Å; Q23-G25 VanDerWaalsContact C-N 3.31Å; G25-R29 PolarHBondContact O-N 2.64Å
26	D	57.1	Low	64.4	Low	110 Å²	110	90.1 Å²	90.1	59%	0.588	48%	0.477	S	S	*	.	H	α-helix	trans	-65.5	-44.9	179	-88.9	-37.9	0	0	0	112.3	F22 K28 R29 D30	F22-D26 PolarHBondContact O-N 2.7Å; D26-K28 VanDerWaalsContact C-N 3.34Å; D26-K28 PolarHBondContact O-N 2.9Å; D26-R29 PolarHBondContact O-N 3.22Å; D26-D30 WeakPolarHBondContact O-CB 3.36Å; D26-D30 PolarHBondContact O-N 2.95Å
27	T	60.2	Low	66.4	Low	81 Å²	81	86.5 Å²	86.5	50%	0.497	46%	0.459	S	S	.	.	H	α-helix	trans	-62.8	-35.5	179.4	46.5	0	0	0	0	113.5	Q23 A24 L31	Q23-T27 WeakPolarHBondContact O-CG2 3.22Å; Q23-T27 PolarHBondContact O-N 3.37Å; Q23-T27 PolarHBondContact O-OG1 2.93Å; A24-T27 WeakPolarHBondContact CA-OG1 3.49Å; A24-T27 PolarHBondContact O-OG1 3.03Å; T27-L31 WeakPolarHBondContact O-CG 3.21Å; T27-L31 PolarHBondContact O-N 2.64Å
28	K	59.7	Low	68.5	Low	136 Å²	136	81.8 Å²	81.8	59%	0.591	44%	0.435	S	S	*	.	H	α-helix	trans	-71	-36.7	176.2	-74.2	178.2	-178.2	-176.4	0	112.8	A24 D26 K32	A24-K28 WeakPolarHBondContact O-CG 3.38Å; D26-K28 VanDerWaalsContact C-N 3.34Å; D26-K28 PolarHBondContact O-N 2.9Å; K28-K32 PolarHBondContact O-N 3.42Å
29	R	61.1	Low	70.6	Confident	198 Å²	198	81.2 Å²	81.2	75%	0.747	43%	0.43	S	S	*	.	H	α-helix	trans	-67.5	-41.4	177.1	-166.7	174.5	-177.5	174.2	0	110.5	G25 D26 K32 S33	G25-R29 PolarHBondContact O-N 2.64Å; D26-R29 PolarHBondContact O-N 3.22Å; R29-K32 PolarHBondContact O-N 2.81Å; R29-S33 PolarHBondContact O-N 3.37Å; R29-S33 VanDerWaalsContact O-N 3.09Å; R29-S33 PolarHBondContact O-OG 2.98Å
30	D	74.4	Confident	72.6	Confident	97 Å²	97	81.7 Å²	81.7	52%	0.519	43%	0.427	S	S	.	.	H	α-helix	trans	-62.3	-42	178.8	-164.7	37.7	0	0	0	112.9	D26 S33 A34	D26-D30 WeakPolarHBondContact O-CB 3.36Å; D26-D30 PolarHBondContact O-N 2.95Å; D30-S33 VanDerWaalsContact CA-OG 3.32Å; D30-S33 WeakPolarHBondContact CA-OG 3.45Å; D30-S33 PolarHBondContact O-N 3.43Å; D30-S33 PolarHBondContact O-OG 2.93Å; D30-A34 WeakPolarHBondContact O-CB 3.29Å; D30-A34 PolarHBondContact O-N 3.33Å
31	L	75.4	Confident	74.9	Confident	73 Å²	73	76.9 Å²	76.9	38%	0.382	40%	0.402	S	S	.	.	H	α-helix	trans	-67.8	-37.1	177	-71.1	170.6	0	0	0	113.4	T27 C35 R164	T27-L31 WeakPolarHBondContact O-CG 3.21Å; T27-L31 PolarHBondContact O-N 2.64Å; L31-C35 PolarHBondContact O-N 3.46Å; L31-R164 HydrophobicContact CB-CB 4.42Å
32	K	80	Confident	77.1	Confident	96 Å²	96	71.4 Å²	71.4	42%	0.417	37%	0.373	S	S	.	.	H	α-helix	trans	-67.6	-40.9	176.1	-170	172.4	-176.6	170.6	0	110.7	K28 R29 S36 D159 T163	K28-K32 PolarHBondContact O-N 3.42Å; R29-K32 PolarHBondContact O-N 2.81Å; K32-S36 PolarHBondContact O-N 2.03Å; K32-D159 IonicContact NZ-OD1 3.62Å; K32-D159 PolarHBondContact NZ-OD1 3.3Å; K32-D159 VanDerWaalsContact NZ-OD1 3.14Å; K32-T163 HydrophobicContact CG-CG2 4.32Å
33	S	87.4	Confident	79.6	Confident	52 Å²	52	68.3 Å²	68.3	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-67.4	-40.8	175.7	43.1	0	0	0	0	112.9	R29 D30 C35 S36 T37	R29-S33 PolarHBondContact O-N 3.37Å; R29-S33 VanDerWaalsContact O-N 3.09Å; R29-S33 PolarHBondContact O-OG 2.98Å; D30-S33 VanDerWaalsContact CA-OG 3.32Å; D30-S33 WeakPolarHBondContact CA-OG 3.45Å; D30-S33 PolarHBondContact O-N 3.43Å; D30-S33 PolarHBondContact O-OG 2.93Å; S33-C35 VanDerWaalsContact C-N 3.32Å; S33-C35 PolarHBondContact O-N 3Å; S33-S36 WeakPolarHBondContact O-CB 3.04Å; S33-S36 PolarHBondContact O-N 3.05Å; S33-S36 VanDerWaalsContact O-N 3.1Å; S33-T37 PolarHBondContact O-N 3.48Å; S33-T37 PolarHBondContact O-OG1 3.33Å; S33-T37 VanDerWaalsContact O-OG1 3.09Å
34	A	93.4	Very high	81.9	Confident	23 Å²	23	64.9 Å²	64.9	19%	0.19	35%	0.346	C	S	.	.	H	α-helix	trans	-58.9	-42.3	179.3	0	0	0	0	0	112.4	D30 T37 C38 M97 V130	D30-A34 WeakPolarHBondContact O-CB 3.29Å; D30-A34 PolarHBondContact O-N 3.33Å; A34-T37 PolarHBondContact O-N 3.32Å; A34-C38 PolarHBondContact O-N 2.75Å; A34-M97 HydrophobicContact CB-CE 4.49Å; A34-V130 HydrophobicContact CB-CB 4.28Å; A34-V130 HydrophobicContact CB-CG1 4.41Å
35	C	95.7	Very high	84.1	Confident	9 Å²	9	63 Å²	63	6%	0.061	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-42.8	174.5	-178.5	0	0	0	0	112.4	L31 S33 T37 C38 H39 V130 C131 G162 T163	L31-C35 PolarHBondContact O-N 3.46Å; S33-C35 VanDerWaalsContact C-N 3.32Å; S33-C35 PolarHBondContact O-N 3Å; C35-T37 VanDerWaalsContact C-N 3.32Å; C35-T37 PolarHBondContact O-N 3.12Å; C35-C38 PolarHBondContact O-N 3.45Å; C35-H39 WeakPolarHBondContact O-CB 3.33Å; C35-H39 PolarHBondContact O-N 3.23Å; C35-V130 WeakPolarHBondContact CB-O 3.46Å; C35-C131 WeakPolarHBondContact CA-SG 3.3Å; C35-C131 HydrophobicContact CB-CB 4.13Å; C35-C131 WeakPolarHBondContact CB-SG 3.35Å; C35-C131 PolarHBondContact O-SG 3.24Å; C35-C131 WeakPolarHBondContact SG-CA 3.47Å; C35-C131 WeakPolarHBondContact SG-CB 3.38Å; C35-C131 CovalentContact SG-SG 2.05Å; C35-C131 PolarHBondContact SG-SG 2.93Å; C35-G162 PolarHBondContact SG-O 3.26Å; C35-T163 HydrophobicContact CB-CG2 4.22Å
36	S	94.8	Very high	86.1	Confident	81 Å²	81	64 Å²	64	57%	0.566	33%	0.326	S	S	*	.	H	α-helix	trans	-59.1	-43.6	176.7	-172.4	0	0	0	0	111.8	K32 S33 H39 Q40	K32-S36 PolarHBondContact O-N 2.03Å; S33-S36 WeakPolarHBondContact O-CB 3.04Å; S33-S36 PolarHBondContact O-N 3.05Å; S33-S36 VanDerWaalsContact O-N 3.1Å; S36-H39 PolarHBondContact O-N 3.43Å; S36-Q40 WeakPolarHBondContact O-CB 3.1Å; S36-Q40 PolarHBondContact O-N 2.85Å
37	T	96	Very high	88	Confident	20 Å²	20	64.1 Å²	64.1	12%	0.123	32%	0.321	C	S	.	.	H	α-helix	trans	-62.1	-48.4	175.7	-57.4	0	0	0	0	110.9	S33 A34 C35 H39 Q40 I41 C94 M97	S33-T37 PolarHBondContact O-N 3.48Å; S33-T37 PolarHBondContact O-OG1 3.33Å; S33-T37 VanDerWaalsContact O-OG1 3.09Å; A34-T37 PolarHBondContact O-N 3.32Å; C35-T37 VanDerWaalsContact C-N 3.32Å; C35-T37 PolarHBondContact O-N 3.12Å; T37-H39 VanDerWaalsContact C-N 3.35Å; T37-H39 PolarHBondContact O-N 3.32Å; T37-Q40 WeakPolarHBondContact O-CB 3.42Å; T37-Q40 PolarHBondContact O-N 3.31Å; T37-I41 HydrophobicContact CG2-CD1 3.92Å; T37-I41 WeakPolarHBondContact O-CG1 3.06Å; T37-I41 PolarHBondContact O-N 3Å; T37-C94 HydrophobicContact CG2-CB 4.18Å; T37-M97 HydrophobicContact CG2-CE 4.18Å; T37-M97 HydrophobicContact CG2-SD 4.17Å
38	C	97.1	Very high	89.6	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-42.2	178.6	-166.4	0	0	0	0	112.3	A34 C35 Q40 I41 T42 M97 F123 C124 V130	A34-C38 PolarHBondContact O-N 2.75Å; C35-C38 PolarHBondContact O-N 3.45Å; C38-Q40 PolarHBondContact O-N 2.81Å; C38-I41 PolarHBondContact O-N 3.14Å; C38-T42 WeakPolarHBondContact O-CG2 3.46Å; C38-T42 PolarHBondContact O-N 3.29Å; C38-T42 PolarHBondContact O-OG1 3.18Å; C38-M97 HydrophobicContact CB-CE 4.44Å; C38-M97 HydrophobicContact CB-SD 3.7Å; C38-F123 WeakPolarHBondContact SG-CD1 3.33Å; C38-F123 VanDerWaalsContact SG-CE1 3.59Å; C38-C124 HydrophobicContact CB-CB 3.95Å; C38-C124 WeakPolarHBondContact CB-SG 3.35Å; C38-C124 PolarHBondContact O-SG 3.22Å; C38-C124 VanDerWaalsContact O-SG 3.38Å; C38-C124 WeakPolarHBondContact SG-CA 3.49Å; C38-C124 WeakPolarHBondContact SG-CB 3.4Å; C38-C124 CovalentContact SG-SG 2.03Å; C38-C124 PolarHBondContact SG-SG 2.62Å; C38-V130 HydrophobicContact CB-CG2 3.57Å
39	H	96	Very high	91.3	Very high	84 Å²	84	56.6 Å²	56.6	39%	0.389	28%	0.281	S	S	.	.	H	α-helix	trans	-57.4	-50.3	174.9	-176.2	-78.6	0	0	0	110.9	C35 S36 T37 I41 T42 E43 H120	C35-H39 WeakPolarHBondContact O-CB 3.33Å; C35-H39 PolarHBondContact O-N 3.23Å; S36-H39 PolarHBondContact O-N 3.43Å; T37-H39 VanDerWaalsContact C-N 3.35Å; T37-H39 PolarHBondContact O-N 3.32Å; H39-I41 PolarHBondContact O-N 2.97Å; H39-T42 PolarHBondContact O-N 3.29Å; H39-T42 PolarHBondContact O-OG1 3Å; H39-E43 IonicContact CE1-OE2 2.67Å; H39-E43 IonicContact ND1-OE2 2.66Å; H39-E43 WeakPolarHBondContact O-CB 3.29Å; H39-E43 PolarHBondContact O-N 3.12Å; H39-H120 AromaticContact CD2-CE1 3.63Å; H39-H120 AromaticContact CD2-ND1 3.9Å
40	Q	96.7	Very high	92.8	Very high	92 Å²	92	52.7 Å²	52.7	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-56.9	-46.5	177.4	-177.6	178	50	0	0	112.1	S36 T37 C38 T42 E43 N44	S36-Q40 WeakPolarHBondContact O-CB 3.1Å; S36-Q40 PolarHBondContact O-N 2.85Å; T37-Q40 WeakPolarHBondContact O-CB 3.42Å; T37-Q40 PolarHBondContact O-N 3.31Å; C38-Q40 PolarHBondContact O-N 2.81Å; Q40-T42 PolarHBondContact O-N 3.4Å; Q40-E43 PolarHBondContact O-N 2.94Å; Q40-N44 WeakPolarHBondContact O-CB 3Å; Q40-N44 PolarHBondContact O-N 2.95Å
41	I	97.8	Very high	93.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.8	-49.6	176.6	-72.3	166	0	0	0	110.5	T37 C38 H39 E43 N44 F45 L86 C94 M97 V98 F105	T37-I41 HydrophobicContact CG2-CD1 3.92Å; T37-I41 WeakPolarHBondContact O-CG1 3.06Å; T37-I41 PolarHBondContact O-N 3Å; C38-I41 PolarHBondContact O-N 3.14Å; H39-I41 PolarHBondContact O-N 2.97Å; I41-E43 PolarHBondContact O-N 2.81Å; I41-N44 PolarHBondContact O-N 3.02Å; I41-F45 WeakPolarHBondContact O-CB 3.48Å; I41-F45 PolarHBondContact O-N 3.39Å; I41-L86 HydrophobicContact CG2-CD1 4.1Å; I41-C94 VanDerWaalsContact CG1-SG 3.55Å; I41-M97 HydrophobicContact CD1-CB 3.85Å; I41-M97 HydrophobicContact CD1-CG 3.83Å; I41-M97 HydrophobicContact CD1-SD 3.67Å; I41-V98 HydrophobicContact CD1-CG2 3.8Å; I41-V98 HydrophobicContact CG1-CG2 4.01Å; I41-V98 HydrophobicContact CG2-CG2 4.01Å; I41-F105 HydrophobicContact CG2-CE1 4.33Å; I41-F105 HydrophobicContact CG2-CE2 4.46Å; I41-F105 HydrophobicContact CG2-CZ 3.61Å
42	T	97.5	Very high	94.5	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-68.9	-31.9	-178.5	57.2	0	0	0	0	113.3	C38 H39 Q40 N46 L119 H120 F123 C124	C38-T42 WeakPolarHBondContact O-CG2 3.46Å; C38-T42 PolarHBondContact O-N 3.29Å; C38-T42 PolarHBondContact O-OG1 3.18Å; H39-T42 PolarHBondContact O-N 3.29Å; H39-T42 PolarHBondContact O-OG1 3Å; Q40-T42 PolarHBondContact O-N 3.4Å; T42-N46 PolarHBondContact O-N 2.81Å; T42-N46 VanDerWaalsContact O-N 3.11Å; T42-N46 PolarHBondContact O-ND2 3.35Å; T42-N46 VanDerWaalsContact O-ND2 3.11Å; T42-L119 HydrophobicContact CG2-CD2 4.28Å; T42-L119 HydrophobicContact CG2-CG 4.01Å; T42-H120 PolarHBondContact OG1-ND1 3.44Å; T42-H120 VanDerWaalsContact OG1-ND1 3.16Å; T42-F123 HydrophobicContact CG2-CD1 3.93Å; T42-C124 VanDerWaalsContact CG2-SG 3.55Å
43	E	97.2	Very high	95	Very high	83 Å²	83	49 Å²	49	39%	0.388	26%	0.259	S	S	.	.	H	α-helix	trans	-67.9	-46.8	173.3	-167.1	-168.5	150.2	0	0	111.2	H39 Q40 I41 F45 N46 K47	H39-E43 IonicContact CE1-OE2 2.67Å; H39-E43 IonicContact ND1-OE2 2.66Å; H39-E43 WeakPolarHBondContact O-CB 3.29Å; H39-E43 PolarHBondContact O-N 3.12Å; Q40-E43 PolarHBondContact O-N 2.94Å; I41-E43 PolarHBondContact O-N 2.81Å; E43-F45 VanDerWaalsContact C-N 3.29Å; E43-F45 PolarHBondContact O-N 3.39Å; E43-N46 PolarHBondContact O-N 2.88Å; E43-K47 WeakPolarHBondContact O-CG 3.37Å; E43-K47 PolarHBondContact O-N 3Å; E43-K47 WeakPolarHBondContact OE1-CE 3.43Å; E43-K47 IonicContact OE1-NZ 2.62Å; E43-K47 PolarHBondContact OE1-NZ 2.94Å
44	N	97.4	Very high	94.8	Very high	42 Å²	42	56.2 Å²	56.2	23%	0.225	28%	0.284	C	S	.	.	H	α-helix	trans	-63.7	-37.1	176.5	-72.7	-9.9	0	0	0	111.5	Q40 I41 K47 G48 L86	Q40-N44 WeakPolarHBondContact O-CB 3Å; Q40-N44 PolarHBondContact O-N 2.95Å; I41-N44 PolarHBondContact O-N 3.02Å; N44-K47 PolarHBondContact O-N 2.95Å; N44-G48 PolarHBondContact O-N 3.15Å; N44-L86 HydrophobicContact CB-CD2 4.12Å; N44-L86 PolarHBondContact ND2-O 3.05Å
45	F	97.6	Very high	94.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-47.4	174	-171.1	-76.8	0	0	0	111.4	I41 E43 K47 G48 Y49 L79 I82 L83 L86 F105 W108 W109 L119	I41-F45 WeakPolarHBondContact O-CB 3.48Å; I41-F45 PolarHBondContact O-N 3.39Å; E43-F45 VanDerWaalsContact C-N 3.29Å; E43-F45 PolarHBondContact O-N 3.39Å; F45-K47 VanDerWaalsContact C-N 3.33Å; F45-K47 PolarHBondContact O-N 2.74Å; F45-G48 PolarHBondContact O-N 2.81Å; F45-Y49 VanDerWaalsContact O-CB 3.3Å; F45-Y49 WeakPolarHBondContact O-CB 3.48Å; F45-Y49 PolarHBondContact O-N 3.27Å; F45-L79 HydrophobicContact CE2-CD1 3.72Å; F45-L79 HydrophobicContact CZ-CD1 3.83Å; F45-I82 HydrophobicContact CB-CG2 4.47Å; F45-I82 HydrophobicContact CD1-CG2 4.36Å; F45-I82 HydrophobicContact CD2-CG2 3.57Å; F45-I82 HydrophobicContact CE1-CG2 4.48Å; F45-I82 HydrophobicContact CE2-CB 4.5Å; F45-I82 HydrophobicContact CE2-CG2 3.73Å; F45-I82 HydrophobicContact CG-CG2 3.9Å; F45-I82 HydrophobicContact CZ-CG2 4.18Å; F45-L83 HydrophobicContact CD2-CD2 4.22Å; F45-L83 HydrophobicContact CE2-CD2 4.03Å; F45-L86 HydrophobicContact CB-CD2 3.66Å; F45-L86 HydrophobicContact CD2-CD1 4.21Å; F45-L86 HydrophobicContact CD2-CD2 4.1Å; F45-L86 HydrophobicContact CG-CD2 4.33Å; F45-L86 VanDerWaalsContact N-CD2 3.27Å; F45-F105 AromaticContact CD2-CD1 3.98Å; F45-F105 HydrophobicContact CD2-CD1 3.98Å; F45-F105 HydrophobicContact CD2-CE1 4.05Å; F45-F105 AromaticContact CE2-CD1 3.95Å; F45-F105 HydrophobicContact CE2-CD1 3.95Å; F45-F105 HydrophobicContact CE2-CE1 4.48Å; F45-W108 HydrophobicContact CE1-CE3 4.46Å; F45-W108 HydrophobicContact CE1-CH2 4.42Å; F45-W108 AromaticContact CE1-CZ3 3.73Å; F45-W108 HydrophobicContact CE1-CZ3 3.73Å; F45-W108 HydrophobicContact CZ-CZ3 4.14Å; F45-W109 HydrophobicContact CE1-CE3 4.31Å; F45-W109 HydrophobicContact CE1-CZ3 4.13Å; F45-W109 AromaticContact CZ-CE3 3.84Å; F45-W109 HydrophobicContact CZ-CE3 3.84Å; F45-W109 AromaticContact CZ-CZ3 3.91Å; F45-W109 HydrophobicContact CZ-CZ3 3.91Å; F45-L119 HydrophobicContact CB-CD2 3.81Å; F45-L119 HydrophobicContact CD1-CD2 3.35Å; F45-L119 HydrophobicContact CD2-CD2 4.15Å; F45-L119 HydrophobicContact CE1-CD2 3.95Å; F45-L119 HydrophobicContact CG-CD2 3.48Å; F45-L119 VanDerWaalsContact CG-CD2 3.48Å
46	N	95.9	Very high	93.6	Very high	64 Å²	64	62.4 Å²	62.4	34%	0.342	31%	0.31	S	S	.	.	H	α-helix	trans	-63	-40.3	177.5	-72.8	-37.6	0	0	0	111.7	T42 E43 Y49 D50	T42-N46 PolarHBondContact O-N 2.81Å; T42-N46 VanDerWaalsContact O-N 3.11Å; T42-N46 PolarHBondContact O-ND2 3.35Å; T42-N46 VanDerWaalsContact O-ND2 3.11Å; E43-N46 PolarHBondContact O-N 2.88Å; N46-Y49 WeakPolarHBondContact O-CB 3.43Å; N46-Y49 PolarHBondContact O-N 3.24Å; N46-D50 PolarHBondContact O-N 3.41Å
47	K	96.3	Very high	92.9	Very high	113 Å²	113	60.3 Å²	60.3	49%	0.491	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-45.8	173.1	-70.6	173	-175.2	164	0	111.9	E43 N44 F45 Y49 D50 R51	E43-K47 WeakPolarHBondContact O-CG 3.37Å; E43-K47 PolarHBondContact O-N 3Å; E43-K47 WeakPolarHBondContact OE1-CE 3.43Å; E43-K47 IonicContact OE1-NZ 2.62Å; E43-K47 PolarHBondContact OE1-NZ 2.94Å; N44-K47 PolarHBondContact O-N 2.95Å; F45-K47 VanDerWaalsContact C-N 3.33Å; F45-K47 PolarHBondContact O-N 2.74Å; K47-Y49 VanDerWaalsContact C-N 3.32Å; K47-Y49 PolarHBondContact O-N 3.3Å; K47-D50 PolarHBondContact O-N 3.41Å; K47-R51 VanDerWaalsContact O-CB 3.26Å; K47-R51 WeakPolarHBondContact O-CB 3.35Å; K47-R51 PolarHBondContact O-N 2.88Å
48	G	95.3	Very high	91.5	Very high	4 Å²	4	62.7 Å²	62.7	4%	0.041	32%	0.32	C	S	.	.	H	α-helix	trans	-63.5	-38.3	176.4	0	0	0	0	0	112.2	N44 F45 R51 T52	N44-G48 PolarHBondContact O-N 3.15Å; F45-G48 PolarHBondContact O-N 2.81Å; G48-R51 PolarHBondContact O-N 3.29Å; G48-T52 WeakPolarHBondContact O-CB 3.35Å; G48-T52 WeakPolarHBondContact O-CG2 3.42Å; G48-T52 PolarHBondContact O-N 2.89Å; G48-T52 PolarHBondContact O-OG1 3.3Å
49	Y	93.6	Very high	90	Very high	54 Å²	54	63.7 Å²	63.7	21%	0.212	33%	0.33	C	S	.	.	H	α-helix	trans	-59.3	-49	174.4	-177.5	-102.5	0	0	0	111.8	F45 N46 K47 T52 A53 R78 I82 W109 K113	F45-Y49 VanDerWaalsContact O-CB 3.3Å; F45-Y49 WeakPolarHBondContact O-CB 3.48Å; F45-Y49 PolarHBondContact O-N 3.27Å; N46-Y49 WeakPolarHBondContact O-CB 3.43Å; N46-Y49 PolarHBondContact O-N 3.24Å; K47-Y49 VanDerWaalsContact C-N 3.32Å; K47-Y49 PolarHBondContact O-N 3.3Å; Y49-T52 PolarHBondContact O-OG1 2.94Å; Y49-T52 VanDerWaalsContact O-OG1 3.14Å; Y49-A53 PolarHBondContact O-N 3.2Å; Y49-R78 VanDerWaalsContact CE2-NH2 3.32Å; Y49-R78 PolarHBondContact O-NH2 2.66Å; Y49-I82 HydrophobicContact CD2-CD1 4.22Å; Y49-W109 AromaticContact CD2-CH2 3.66Å; Y49-W109 HydrophobicContact CD2-CH2 3.66Å; Y49-W109 AromaticContact CD2-CZ3 3.51Å; Y49-W109 HydrophobicContact CD2-CZ3 3.51Å; Y49-W109 AromaticContact CE2-CH2 3.61Å; Y49-W109 HydrophobicContact CE2-CH2 3.61Å; Y49-W109 AromaticContact CE2-CZ3 3.65Å; Y49-W109 HydrophobicContact CE2-CZ3 3.65Å; Y49-K113 PolarHBondContact OH-NZ 2.79Å
50	D	94.2	Very high	88.4	Confident	116 Å²	116	63.7 Å²	63.7	62%	0.62	35%	0.353	S	S	*	.	H	α-helix	trans	-67.5	-41.4	178.5	-70	-22.5	0	0	0	111.9	N46 K47 T52 A53	N46-D50 PolarHBondContact O-N 3.41Å; K47-D50 PolarHBondContact O-N 3.41Å; D50-T52 VanDerWaalsContact C-N 3.34Å; D50-T52 PolarHBondContact O-N 3.11Å; D50-A53 VanDerWaalsContact O-CB 3.25Å; D50-A53 WeakPolarHBondContact O-CB 3.36Å; D50-A53 PolarHBondContact O-N 2.93Å
51	R	93.7	Very high	86.8	Confident	128 Å²	128	65 Å²	65	48%	0.483	36%	0.363	S	S	.	.	H	α-helix	trans	-61.2	-39.8	178.5	-177.1	-175.2	62.3	-177.7	1.4	112.6	K47 G48 A53 D85	K47-R51 VanDerWaalsContact O-CB 3.26Å; K47-R51 WeakPolarHBondContact O-CB 3.35Å; K47-R51 PolarHBondContact O-N 2.88Å; G48-R51 PolarHBondContact O-N 3.29Å; R51-A53 VanDerWaalsContact C-N 3.34Å; R51-D85 IonicContact CZ-OD2 3.78Å; R51-D85 IonicContact NH1-OD2 3.92Å; R51-D85 PolarHBondContact NH1-OD2 3.33Å; R51-D85 IonicContact NH2-OD2 3.35Å; R51-D85 PolarHBondContact NH2-OD2 3.45Å
52	T	91.6	Very high	85.2	Confident	1 Å²	1	67 Å²	67	1%	0.006	37%	0.374	C	S	.	.	H	α-helix	trans	-83.3	-6.5	179.5	56.5	0	0	0	0	113.3	G48 Y49 D50 K54 Q55 Y72 R78 I82	G48-T52 WeakPolarHBondContact O-CB 3.35Å; G48-T52 WeakPolarHBondContact O-CG2 3.42Å; G48-T52 PolarHBondContact O-N 2.89Å; G48-T52 PolarHBondContact O-OG1 3.3Å; Y49-T52 PolarHBondContact O-OG1 2.94Å; Y49-T52 VanDerWaalsContact O-OG1 3.14Å; D50-T52 VanDerWaalsContact C-N 3.34Å; D50-T52 PolarHBondContact O-N 3.11Å; T52-K54 PolarHBondContact O-N 2.87Å; T52-Q55 WeakPolarHBondContact O-CB 3.49Å; T52-Q55 PolarHBondContact O-N 2.04Å; T52-Y72 WeakPolarHBondContact O-CE1 3.39Å; T52-R78 PolarHBondContact OG1-NE 3.23Å; T52-I82 HydrophobicContact CG2-CG1 4.07Å
53	A	89	Confident	83.5	Confident	59 Å²	59	69.7 Å²	69.7	49%	0.488	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.1	-173.2	0	0	0	0	0	114.7	Y49 D50 R51	Y49-A53 PolarHBondContact O-N 3.2Å; D50-A53 VanDerWaalsContact O-CB 3.25Å; D50-A53 WeakPolarHBondContact O-CB 3.36Å; D50-A53 PolarHBondContact O-N 2.93Å; R51-A53 VanDerWaalsContact C-N 3.34Å
54	K	84	Confident	82	Confident	205 Å²	205	73.1 Å²	73.1	89%	0.891	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	5.4	179.2	-62.8	-178.8	-177.6	174.4	0	113.7	T52	T52-K54 PolarHBondContact O-N 2.87Å
55	Q	83.7	Confident	80.3	Confident	91 Å²	91	72.7 Å²	72.7	43%	0.425	40%	0.404	S	S	.	.			trans	-84.7	172.6	-179.1	-64.9	-175.3	8	0	0	111.5	T52 Y72	T52-Q55 WeakPolarHBondContact O-CB 3.49Å; T52-Q55 PolarHBondContact O-N 2.04Å; Q55-Y72 HydrophobicContact CB-CE1 3.63Å; Q55-Y72 WeakPolarHBondContact CB-OH 3.18Å; Q55-Y72 VanDerWaalsContact O-CD1 3.23Å; Q55-Y72 WeakPolarHBondContact O-CD1 3.44Å; Q55-Y72 PolarHBondContact OE1-OH 3.1Å
56	N	80.9	Confident	78.7	Confident	70 Å²	70	77.2 Å²	77.2	37%	0.374	43%	0.425	S	S	.	.			trans	-142.6	-179.6	176.5	61.5	25.8	0	0	0	108.7	G58 T62	N56-G58 PolarHBondContact O-N 3.5Å; N56-G58 PolarHBondContact OD1-N 2.03Å; N56-T62 HydrophobicContact CB-CG2 3.76Å; N56-T62 PolarHBondContact ND2-OG1 3.36Å
57	F	78.8	Confident	77.3	Confident	38 Å²	38	84.1 Å²	84.1	17%	0.167	45%	0.446	C	S	.	.			trans	-63.9	5.6	-179.8	-64.9	-70.6	0	0	0	115.3	G59 E65 L69 S70 Y72 I77	F57-G59 PolarHBondContact O-N 2.85Å; F57-E65 WeakPolarHBondContact CB-OE2 3.23Å; F57-E65 HydrophobicContact CD2-CB 4.1Å; F57-L69 HydrophobicContact CE2-CB 4.41Å; F57-L69 HydrophobicContact CZ-CB 4.37Å; F57-S70 WeakPolarHBondContact CE2-O 3.34Å; F57-S70 WeakPolarHBondContact CZ-O 3.31Å; F57-Y72 AromaticContact CD1-CD2 3.88Å; F57-Y72 HydrophobicContact CD1-CD2 3.88Å; F57-Y72 HydrophobicContact CE1-CD2 4.01Å; F57-Y72 HydrophobicContact CG-CD2 4.26Å; F57-Y72 VanDerWaalsContact CZ-CA 3.46Å; F57-I77 HydrophobicContact CD1-CD1 3.89Å; F57-I77 HydrophobicContact CE1-CB 4.46Å; F57-I77 HydrophobicContact CE1-CD1 3.9Å
58	G	68.4	Low	75.8	Confident	70 Å²	70	86.4 Å²	86.4	72%	0.722	46%	0.456	S	S	*	.	S	Bend	trans	73.4	3	177.5	0	0	0	0	0	114.7	N56	N56-G58 PolarHBondContact O-N 3.5Å; N56-G58 PolarHBondContact OD1-N 2.03Å
59	G	65.6	Low	74.1	Confident	21 Å²	21	90.8 Å²	90.8	22%	0.216	48%	0.478	C	S	.	.	S	Bend	trans	-98.7	138.9	179.2	0	0	0	0	0	113.4	F57 N61 E65	F57-G59 PolarHBondContact O-N 2.85Å; G59-N61 PolarHBondContact O-N 2.04Å; G59-E65 WeakPolarHBondContact CA-OE1 3.21Å
60	G	60.4	Low	73	Confident	84 Å²	84	92.4 Å²	92.4	87%	0.866	50%	0.497	S	S	*	.	S	Bend	trans	-62.8	5.4	-171.9	0	0	0	0	0	117.2
61	N	64.4	Low	72.4	Confident	119 Å²	119	93 Å²	93	64%	0.636	49%	0.494	S	S	*	.			trans	-140.3	69.2	174.6	-90.3	-22.5	0	0	0	112.1	G59 A63 W64 E65	G59-N61 PolarHBondContact O-N 2.04Å; N61-A63 PolarHBondContact O-N 3.22Å; N61-A63 VanDerWaalsContact O-N 3.12Å; N61-W64 HydrophobicContact CB-CB 4.19Å; N61-W64 PolarHBondContact O-N 2.82Å; N61-E65 PolarHBondContact O-N 3.22Å
62	T	63.3	Low	72	Confident	41 Å²	41	87.1 Å²	87.1	25%	0.252	47%	0.472	S	S	.	.	H	α-helix	trans	-51.8	-36.9	-180	-37.9	0	0	0	0	113.4	N56 W64 E65 E66	N56-T62 HydrophobicContact CB-CG2 3.76Å; N56-T62 PolarHBondContact ND2-OG1 3.36Å; T62-W64 VanDerWaalsContact C-N 3.33Å; T62-W64 PolarHBondContact O-N 3.34Å; T62-E65 PolarHBondContact O-N 2.8Å; T62-E66 HydrophobicContact CG2-CG 4.4Å; T62-E66 WeakPolarHBondContact O-CB 3.34Å; T62-E66 WeakPolarHBondContact O-CG 3.31Å; T62-E66 PolarHBondContact O-N 2.84Å
63	A	61.9	Low	71.6	Confident	61 Å²	61	92 Å²	92	50%	0.504	50%	0.495	S	S	.	.	H	α-helix	trans	-73.7	-18.5	180	0	0	0	0	0	114.7	N61 R67	N61-A63 PolarHBondContact O-N 3.22Å; N61-A63 VanDerWaalsContact O-N 3.12Å; A63-R67 PolarHBondContact O-NE 3.43Å; A63-R67 PolarHBondContact O-NH2 3.06Å
64	W	65.1	Low	71.4	Confident	155 Å²	155	92.8 Å²	92.8	59%	0.587	49%	0.494	S	S	*	.	H	α-helix	trans	-85.1	-41.6	170.9	174.6	91.2	0	0	0	110	N61 T62 R67 K68	N61-W64 HydrophobicContact CB-CB 4.19Å; N61-W64 PolarHBondContact O-N 2.82Å; T62-W64 VanDerWaalsContact C-N 3.33Å; T62-W64 PolarHBondContact O-N 3.34Å; W64-R67 PolarHBondContact O-N 3.28Å; W64-K68 HydrophobicContact CZ2-CG 4.29Å; W64-K68 PolarHBondContact O-N 3.03Å
65	E	62.4	Low	71.7	Confident	32 Å²	32	83.5 Å²	83.5	15%	0.15	46%	0.455	C	S	.	.	H	α-helix	trans	-62.5	-47.9	178.2	-66	175.2	162.6	0	0	111.2	F57 G59 N61 T62 R67 K68 L69	F57-E65 WeakPolarHBondContact CB-OE2 3.23Å; F57-E65 HydrophobicContact CD2-CB 4.1Å; G59-E65 WeakPolarHBondContact CA-OE1 3.21Å; N61-E65 PolarHBondContact O-N 3.22Å; T62-E65 PolarHBondContact O-N 2.8Å; E65-R67 PolarHBondContact O-N 2.05Å; E65-K68 CarbonylContact O-C 3.56Å; E65-K68 PolarHBondContact O-N 3.07Å; E65-L69 WeakPolarHBondContact O-CA 3.27Å; E65-L69 VanDerWaalsContact O-CB 3.27Å; E65-L69 WeakPolarHBondContact O-CB 3.34Å; E65-L69 PolarHBondContact O-N 2.85Å
66	E	64.9	Low	72.1	Confident	95 Å²	95	84.3 Å²	84.3	44%	0.444	46%	0.459	S	S	.	.	H	α-helix	trans	-67.4	-16.2	177.6	-70.2	-179.1	171.6	0	0	114.8	T62 L69	T62-E66 HydrophobicContact CG2-CG 4.4Å; T62-E66 WeakPolarHBondContact O-CB 3.34Å; T62-E66 WeakPolarHBondContact O-CG 3.31Å; T62-E66 PolarHBondContact O-N 2.84Å; E66-L69 CarbonylContact C-O 3.56Å
67	R	66.6	Low	72.5	Confident	210 Å²	210	85.1 Å²	85.1	79%	0.792	46%	0.462	S	S	*	.	H	α-helix	trans	-86.6	-22.4	172.8	-90.7	-175.8	-78	178.2	-7.4	112.6	A63 W64 E65	A63-R67 PolarHBondContact O-NE 3.43Å; A63-R67 PolarHBondContact O-NH2 3.06Å; W64-R67 PolarHBondContact O-N 3.28Å; E65-R67 PolarHBondContact O-N 2.05Å
68	K	64.9	Low	73.2	Confident	160 Å²	160	83.5 Å²	83.5	70%	0.696	46%	0.455	S	S	*	.	H	α-helix	trans	-105.1	-27.6	-177.9	-90.3	-77.7	-174.7	176.3	0	113	W64 E65	W64-K68 HydrophobicContact CZ2-CG 4.29Å; W64-K68 PolarHBondContact O-N 3.03Å; E65-K68 CarbonylContact O-C 3.56Å; E65-K68 PolarHBondContact O-N 3.07Å
69	L	59.5	Low	74.4	Confident	97 Å²	97	80.2 Å²	80.2	51%	0.508	42%	0.42	S	S	.	.	S	Bend	trans	-118.2	159.3	177.7	-61.3	169.4	0	0	0	109	F57 E65 E66	F57-L69 HydrophobicContact CE2-CB 4.41Å; F57-L69 HydrophobicContact CZ-CB 4.37Å; E65-L69 WeakPolarHBondContact O-CA 3.27Å; E65-L69 VanDerWaalsContact O-CB 3.27Å; E65-L69 WeakPolarHBondContact O-CB 3.34Å; E65-L69 PolarHBondContact O-N 2.85Å; E66-L69 CarbonylContact C-O 3.56Å
70	S	69.4	Low	75.8	Confident	88 Å²	88	82.6 Å²	82.6	62%	0.615	43%	0.427	S	S	*	.			trans	-59.8	161	168.5	-67.6	0	0	0	0	111	F57 Y72	F57-S70 WeakPolarHBondContact CE2-O 3.34Å; F57-S70 WeakPolarHBondContact CZ-O 3.31Å; S70-Y72 PolarHBondContact O-N 3.27Å
71	K	82.6	Confident	77.4	Confident	128 Å²	128	81.3 Å²	81.3	56%	0.557	40%	0.398	S	S	*	.			trans	-55.8	136.4	175.6	-65.6	-176.8	176.7	-174.2	0	110.8	E73 T74 S75	K71-E73 PolarHBondContact O-N 2.87Å; K71-T74 PolarHBondContact O-N 2.94Å; K71-T74 VanDerWaalsContact O-N 3.07Å; K71-T74 PolarHBondContact O-OG1 2.86Å; K71-S75 PolarHBondContact O-N 3.47Å; K71-S75 VanDerWaalsContact O-N 3.13Å
72	Y	84.6	Confident	78.8	Confident	5 Å²	5	75.7 Å²	75.7	2%	0.02	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-52.7	-41	176.1	170.7	-95	0	0	0	111.5	T52 Q55 F57 S70 T74 S75 R78 E81	T52-Y72 WeakPolarHBondContact O-CE1 3.39Å; Q55-Y72 HydrophobicContact CB-CE1 3.63Å; Q55-Y72 WeakPolarHBondContact CB-OH 3.18Å; Q55-Y72 VanDerWaalsContact O-CD1 3.23Å; Q55-Y72 WeakPolarHBondContact O-CD1 3.44Å; Q55-Y72 PolarHBondContact OE1-OH 3.1Å; F57-Y72 AromaticContact CD1-CD2 3.88Å; F57-Y72 HydrophobicContact CD1-CD2 3.88Å; F57-Y72 HydrophobicContact CE1-CD2 4.01Å; F57-Y72 HydrophobicContact CG-CD2 4.26Å; F57-Y72 VanDerWaalsContact CZ-CA 3.46Å; S70-Y72 PolarHBondContact O-N 3.27Å; Y72-T74 PolarHBondContact O-N 3.36Å; Y72-S75 WeakPolarHBondContact O-CB 3.32Å; Y72-S75 PolarHBondContact O-N 3.29Å; Y72-S75 PolarHBondContact O-OG 3.24Å; Y72-R78 HydrophobicContact CD2-CB 4.33Å; Y72-R78 HydrophobicContact CE1-CB 4.1Å; Y72-R78 HydrophobicContact CE1-CG 3.9Å; Y72-R78 HydrophobicContact CE2-CB 3.9Å; Y72-R78 HydrophobicContact CE2-CG 4.47Å; Y72-R78 VanDerWaalsContact O-CB 3.31Å; Y72-R78 WeakPolarHBondContact O-CB 3.48Å; Y72-E81 PolarHBondContact OH-OE2 3.3Å
73	E	83.6	Confident	80.4	Confident	102 Å²	102	74.5 Å²	74.5	48%	0.477	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-49.6	-36.4	178.2	-169.9	-172.2	174.9	0	0	114	K71 R78 W109	K71-E73 PolarHBondContact O-N 2.87Å; E73-R78 VanDerWaalsContact CG-NH1 3.3Å; E73-R78 WeakPolarHBondContact O-CD 3.3Å; E73-R78 PolarHBondContact O-NH1 3.26Å; E73-W109 WeakPolarHBondContact O-CZ2 3.24Å
74	T	84.9	Confident	81.8	Confident	77 Å²	77	78.8 Å²	78.8	47%	0.472	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-114.5	13.9	-177.7	59.8	0	0	0	0	112.4	K71 Y72	K71-T74 PolarHBondContact O-N 2.94Å; K71-T74 VanDerWaalsContact O-N 3.07Å; K71-T74 PolarHBondContact O-OG1 2.86Å; Y72-T74 PolarHBondContact O-N 3.36Å
75	S	90.3	Very high	83.2	Confident	10 Å²	10	76 Å²	76	7%	0.07	37%	0.366	C	S	.	.	S	Bend	trans	-80.7	160.2	-176.5	71.6	0	0	0	0	112.1	K71 Y72 I77 R78 W109	K71-S75 PolarHBondContact O-N 3.47Å; K71-S75 VanDerWaalsContact O-N 3.13Å; Y72-S75 WeakPolarHBondContact O-CB 3.32Å; Y72-S75 PolarHBondContact O-N 3.29Å; Y72-S75 PolarHBondContact O-OG 3.24Å; S75-I77 VanDerWaalsContact C-N 3.32Å; S75-R78 PolarHBondContact OG-N 3.25Å; S75-W109 PolarHBondContact O-NE1 2.99Å
76	E	91.1	Very high	84.8	Confident	108 Å²	108	74.5 Å²	74.5	51%	0.505	36%	0.359	S	S	.	.	H	α-helix	trans	-67.9	-33.6	170.4	-168.1	179.7	159.7	0	0	112	R78 L79 M80 F110	E76-R78 PolarHBondContact O-N 3.36Å; E76-L79 WeakPolarHBondContact O-CB 3.27Å; E76-L79 PolarHBondContact O-N 3.17Å; E76-L79 VanDerWaalsContact O-N 3.08Å; E76-M80 PolarHBondContact O-N 3.38Å; E76-F110 HydrophobicContact CB-CZ 3.89Å; E76-F110 HydrophobicContact CG-CZ 4.29Å
77	I	90.4	Very high	86.2	Confident	87 Å²	87	70.8 Å²	70.8	45%	0.446	34%	0.344	S	S	.	.	H	α-helix	trans	-59.9	-48.3	178.4	-63.9	175.6	0	0	0	110.5	F57 S75 L79 M80 E81	F57-I77 HydrophobicContact CD1-CD1 3.89Å; F57-I77 HydrophobicContact CE1-CB 4.46Å; F57-I77 HydrophobicContact CE1-CD1 3.9Å; S75-I77 VanDerWaalsContact C-N 3.32Å; I77-L79 PolarHBondContact O-N 3.04Å; I77-M80 PolarHBondContact O-N 3.36Å; I77-E81 WeakPolarHBondContact O-CG 3.45Å; I77-E81 PolarHBondContact O-N 3.32Å
78	R	92.9	Very high	87.5	Confident	3 Å²	3	65.6 Å²	65.6	1%	0.011	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-36.2	175.9	-177.6	179.5	176.8	-156.2	5.9	112.2	Y49 T52 Y72 E73 S75 E76 I82 W109	Y49-R78 VanDerWaalsContact CE2-NH2 3.32Å; Y49-R78 PolarHBondContact O-NH2 2.66Å; T52-R78 PolarHBondContact OG1-NE 3.23Å; Y72-R78 HydrophobicContact CD2-CB 4.33Å; Y72-R78 HydrophobicContact CE1-CB 4.1Å; Y72-R78 HydrophobicContact CE1-CG 3.9Å; Y72-R78 HydrophobicContact CE2-CB 3.9Å; Y72-R78 HydrophobicContact CE2-CG 4.47Å; Y72-R78 VanDerWaalsContact O-CB 3.31Å; Y72-R78 WeakPolarHBondContact O-CB 3.48Å; E73-R78 VanDerWaalsContact CG-NH1 3.3Å; E73-R78 WeakPolarHBondContact O-CD 3.3Å; E73-R78 PolarHBondContact O-NH1 3.26Å; S75-R78 PolarHBondContact OG-N 3.25Å; E76-R78 PolarHBondContact O-N 3.36Å; R78-I82 HydrophobicContact CG-CD1 4.18Å; R78-I82 WeakPolarHBondContact O-CD1 3.26Å; R78-I82 VanDerWaalsContact O-CG1 3.24Å; R78-I82 WeakPolarHBondContact O-CG1 3.21Å; R78-I82 PolarHBondContact O-N 2.88Å; R78-W109 HydrophobicContact CB-CZ2 4.33Å; R78-W109 HydrophobicContact CG-CH2 4.21Å; R78-W109 HydrophobicContact CG-CZ2 4.17Å
79	L	94.5	Very high	88.7	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-64.1	-48.1	176.5	175.7	62.6	0	0	0	110.4	F45 E76 I77 E81 I82 L83 E106 W109 F110	F45-L79 HydrophobicContact CE2-CD1 3.72Å; F45-L79 HydrophobicContact CZ-CD1 3.83Å; E76-L79 WeakPolarHBondContact O-CB 3.27Å; E76-L79 PolarHBondContact O-N 3.17Å; E76-L79 VanDerWaalsContact O-N 3.08Å; I77-L79 PolarHBondContact O-N 3.04Å; L79-E81 PolarHBondContact O-N 3.41Å; L79-I82 WeakPolarHBondContact O-CB 3.46Å; L79-I82 PolarHBondContact O-N 3.01Å; L79-I82 VanDerWaalsContact O-N 3.1Å; L79-L83 HydrophobicContact CD1-CD1 4.34Å; L79-L83 HydrophobicContact CD1-CD2 4.39Å; L79-L83 HydrophobicContact CD1-CG 4.15Å; L79-L83 HydrophobicContact CG-CD1 4.12Å; L79-L83 HydrophobicContact CG-CG 4.3Å; L79-L83 WeakPolarHBondContact O-CG 3.36Å; L79-L83 PolarHBondContact O-N 3.4Å; L79-E106 HydrophobicContact CD2-CB 4.39Å; L79-E106 HydrophobicContact CD2-CG 3.88Å; L79-W109 HydrophobicContact CB-CD2 4.23Å; L79-W109 HydrophobicContact CB-CG 4.27Å; L79-W109 HydrophobicContact CD1-CB 4.19Å; L79-W109 HydrophobicContact CD1-CD2 4.05Å; L79-W109 HydrophobicContact CD1-CE3 4.08Å; L79-W109 HydrophobicContact CD1-CG 4.11Å; L79-W109 HydrophobicContact CD2-CB 3.91Å; L79-W109 HydrophobicContact CD2-CG 3.96Å; L79-W109 HydrophobicContact CG-CG 4.35Å; L79-F110 HydrophobicContact CD2-CE2 4.26Å
80	M	93.7	Very high	90.2	Very high	71 Å²	71	63.7 Å²	63.7	35%	0.35	35%	0.347	S	S	.	.	H	α-helix	trans	-61.3	-44.2	178.8	-71.3	-60.1	-167.6	0	0	112.6	E76 I77 I82 L83 E84	E76-M80 PolarHBondContact O-N 3.38Å; I77-M80 PolarHBondContact O-N 3.36Å; M80-I82 PolarHBondContact O-N 2.99Å; M80-L83 PolarHBondContact O-N 3.32Å; M80-L83 HydrophobicContact SD-CD1 4.19Å; M80-E84 WeakPolarHBondContact O-CG 3.46Å; M80-E84 PolarHBondContact O-N 2.99Å
81	E	93.4	Very high	91.4	Very high	58 Å²	58	61.3 Å²	61.3	27%	0.271	33%	0.33	S	S	.	.	H	α-helix	trans	-58.6	-30.5	174.9	-71.9	172.8	-176.9	0	0	113	Y72 I77 L79	Y72-E81 PolarHBondContact OH-OE2 3.3Å; I77-E81 WeakPolarHBondContact O-CG 3.45Å; I77-E81 PolarHBondContact O-N 3.32Å; L79-E81 PolarHBondContact O-N 3.41Å
82	I	95.7	Very high	91.9	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-76	-45.3	173.6	-65.4	164.6	0	0	0	110.3	F45 Y49 T52 R78 L79 M80 E84 D85 L86 W109	F45-I82 HydrophobicContact CB-CG2 4.47Å; F45-I82 HydrophobicContact CD1-CG2 4.36Å; F45-I82 HydrophobicContact CD2-CG2 3.57Å; F45-I82 HydrophobicContact CE1-CG2 4.48Å; F45-I82 HydrophobicContact CE2-CB 4.5Å; F45-I82 HydrophobicContact CE2-CG2 3.73Å; F45-I82 HydrophobicContact CG-CG2 3.9Å; F45-I82 HydrophobicContact CZ-CG2 4.18Å; Y49-I82 HydrophobicContact CD2-CD1 4.22Å; T52-I82 HydrophobicContact CG2-CG1 4.07Å; R78-I82 HydrophobicContact CG-CD1 4.18Å; R78-I82 WeakPolarHBondContact O-CD1 3.26Å; R78-I82 VanDerWaalsContact O-CG1 3.24Å; R78-I82 WeakPolarHBondContact O-CG1 3.21Å; R78-I82 PolarHBondContact O-N 2.88Å; L79-I82 WeakPolarHBondContact O-CB 3.46Å; L79-I82 PolarHBondContact O-N 3.01Å; L79-I82 VanDerWaalsContact O-N 3.1Å; M80-I82 PolarHBondContact O-N 2.99Å; I82-E84 PolarHBondContact O-N 3.47Å; I82-D85 PolarHBondContact O-N 2.96Å; I82-L86 HydrophobicContact CG2-CD2 4.13Å; I82-L86 WeakPolarHBondContact O-CD2 3.39Å; I82-L86 WeakPolarHBondContact O-CG 3.34Å; I82-W109 HydrophobicContact CD1-CH2 3.92Å; I82-W109 HydrophobicContact CD1-CZ3 4.08Å
83	L	95.2	Very high	92.3	Very high	16 Å²	16	65.6 Å²	65.6	8%	0.084	35%	0.351	C	S	.	.	H	α-helix	trans	-61.9	-40.9	-177.3	-69.3	-176.4	0	0	0	112.5	F45 L79 M80 D85 L86 F105	F45-L83 HydrophobicContact CD2-CD2 4.22Å; F45-L83 HydrophobicContact CE2-CD2 4.03Å; L79-L83 HydrophobicContact CD1-CD1 4.34Å; L79-L83 HydrophobicContact CD1-CD2 4.39Å; L79-L83 HydrophobicContact CD1-CG 4.15Å; L79-L83 HydrophobicContact CG-CD1 4.12Å; L79-L83 HydrophobicContact CG-CG 4.3Å; L79-L83 WeakPolarHBondContact O-CG 3.36Å; L79-L83 PolarHBondContact O-N 3.4Å; M80-L83 PolarHBondContact O-N 3.32Å; M80-L83 HydrophobicContact SD-CD1 4.19Å; L83-D85 PolarHBondContact O-N 3.02Å; L83-L86 HydrophobicContact CD2-CD1 3.54Å; L83-L86 WeakPolarHBondContact O-CG 3.05Å; L83-L86 PolarHBondContact O-N 3.4Å; L83-F105 HydrophobicContact CD2-CB 4.06Å; L83-F105 HydrophobicContact CD2-CD1 4.15Å; L83-F105 HydrophobicContact CD2-CD2 4.14Å; L83-F105 HydrophobicContact CD2-CG 3.86Å
84	E	92.9	Very high	92.9	Very high	151 Å²	151	60.8 Å²	60.8	71%	0.706	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.7	179.7	-73.7	176.4	176.2	0	0	113.2	M80 I82	M80-E84 WeakPolarHBondContact O-CG 3.46Å; M80-E84 PolarHBondContact O-N 2.99Å; I82-E84 PolarHBondContact O-N 3.47Å
85	D	93.2	Very high	93.4	Very high	96 Å²	96	59.2 Å²	59.2	51%	0.513	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	7.7	-175.9	-86.3	-4.8	0	0	0	113.6	R51 I82 L83	R51-D85 IonicContact CZ-OD2 3.78Å; R51-D85 IonicContact NH1-OD2 3.92Å; R51-D85 PolarHBondContact NH1-OD2 3.33Å; R51-D85 IonicContact NH2-OD2 3.35Å; R51-D85 PolarHBondContact NH2-OD2 3.45Å; I82-D85 PolarHBondContact O-N 2.96Å; L83-D85 PolarHBondContact O-N 3.02Å
86	L	95.6	Very high	93.6	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	33%	0.331	C	S	.	.	S	Bend	trans	-71.6	-34.6	-177.5	-65.9	-177.4	0	0	0	113.4	I41 N44 F45 I82 L83 V98	I41-L86 HydrophobicContact CG2-CD1 4.1Å; N44-L86 HydrophobicContact CB-CD2 4.12Å; N44-L86 PolarHBondContact ND2-O 3.05Å; F45-L86 HydrophobicContact CB-CD2 3.66Å; F45-L86 HydrophobicContact CD2-CD1 4.21Å; F45-L86 HydrophobicContact CD2-CD2 4.1Å; F45-L86 HydrophobicContact CG-CD2 4.33Å; F45-L86 VanDerWaalsContact N-CD2 3.27Å; I82-L86 HydrophobicContact CG2-CD2 4.13Å; I82-L86 WeakPolarHBondContact O-CD2 3.39Å; I82-L86 WeakPolarHBondContact O-CG 3.34Å; L83-L86 HydrophobicContact CD2-CD1 3.54Å; L83-L86 WeakPolarHBondContact O-CG 3.05Å; L83-L86 PolarHBondContact O-N 3.4Å; L86-V98 HydrophobicContact CB-CG2 4.34Å; L86-V98 HydrophobicContact CD1-CG1 4.29Å; L86-V98 HydrophobicContact CD1-CG2 4.05Å
87	C	96.3	Very high	93.8	Very high	18 Å²	18	59.2 Å²	59.2	12%	0.122	31%	0.312	C	S	.	.	S	Bend	trans	-129.1	138.6	-170.4	-62.1	0	0	0	0	110.3	C94 N95 V98	C87-C94 HydrophobicContact CB-CB 3.72Å; C87-C94 WeakPolarHBondContact CB-SG 3.1Å; C87-C94 WeakPolarHBondContact SG-CB 2.96Å; C87-C94 PolarHBondContact SG-O 3.08Å; C87-C94 CovalentContact SG-SG 2.03Å; C87-C94 PolarHBondContact SG-SG 3.07Å; C87-N95 VanDerWaalsContact CB-OD1 3.29Å; C87-N95 WeakPolarHBondContact CB-OD1 3.47Å; C87-V98 VanDerWaalsContact SG-CG2 3.58Å
88	D	93.4	Very high	94.1	Very high	100 Å²	100	55.7 Å²	55.7	54%	0.535	29%	0.294	S	S	.	.			trans	-66.8	142.5	166.3	-173.1	-82.1	0	0	0	109.6	S90 S91 N95	D88-S90 PolarHBondContact O-N 3.21Å; D88-S90 VanDerWaalsContact OD1-CB 3.27Å; D88-S90 WeakPolarHBondContact OD1-CB 3.35Å; D88-S90 PolarHBondContact OD1-N 3.27Å; D88-S90 PolarHBondContact OD1-OG 3.48Å; D88-S91 WeakPolarHBondContact O-CB 3.43Å; D88-S91 PolarHBondContact O-N 2.65Å; D88-N95 PolarHBondContact O-ND2 2.93Å
89	S	88.9	Confident	94.2	Very high	117 Å²	117	61.9 Å²	61.9	82%	0.818	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-25.7	178.7	64.5	0	0	0	0	114.4
90	S	92	Very high	94.3	Very high	101 Å²	101	67.8 Å²	67.8	71%	0.706	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-13.8	177.1	65.8	0	0	0	0	113.8	D88 F92	D88-S90 PolarHBondContact O-N 3.21Å; D88-S90 VanDerWaalsContact OD1-CB 3.27Å; D88-S90 WeakPolarHBondContact OD1-CB 3.35Å; D88-S90 PolarHBondContact OD1-N 3.27Å; D88-S90 PolarHBondContact OD1-OG 3.48Å; S90-F92 PolarHBondContact O-N 2.71Å; S90-F92 VanDerWaalsContact O-N 3.16Å
91	S	93.8	Very high	94.4	Very high	37 Å²	37	66.2 Å²	66.2	26%	0.259	34%	0.342	S	S	.	.			trans	-87.5	81	-175.8	-169.4	0	0	0	0	111.8	D88 E93 C94 N95	D88-S91 WeakPolarHBondContact O-CB 3.43Å; D88-S91 PolarHBondContact O-N 2.65Å; S91-E93 VanDerWaalsContact C-N 3.34Å; S91-E93 PolarHBondContact O-N 2.94Å; S91-C94 PolarHBondContact O-N 3.38Å; S91-C94 WeakPolarHBondContact OG-CB 3.31Å; S91-N95 PolarHBondContact O-N 3.42Å; S91-N95 PolarHBondContact O-ND2 3.27Å
92	F	93.1	Very high	94.5	Very high	142 Å²	142	67.6 Å²	67.6	62%	0.623	35%	0.349	S	S	*	.	H	α-helix	trans	-53.7	-46.9	-176.6	179.9	-99.3	0	0	0	113.4	S90 C94 N95 R96	S90-F92 PolarHBondContact O-N 2.71Å; S90-F92 VanDerWaalsContact O-N 3.16Å; F92-C94 VanDerWaalsContact C-N 3.35Å; F92-C94 PolarHBondContact O-N 3.06Å; F92-N95 PolarHBondContact O-N 2.86Å; F92-R96 VanDerWaalsContact O-CB 3.3Å; F92-R96 WeakPolarHBondContact O-CB 3.39Å; F92-R96 PolarHBondContact O-N 2.84Å
93	E	93.6	Very high	94.5	Very high	82 Å²	82	74.4 Å²	74.4	38%	0.383	38%	0.381	S	S	.	.	H	α-helix	trans	-65.4	-36.6	-178	-67.6	-58.8	142.2	0	0	113.1	S91 R96 M97	S91-E93 VanDerWaalsContact C-N 3.34Å; S91-E93 PolarHBondContact O-N 2.94Å; E93-R96 IonicContact OE1-CZ 3.14Å; E93-R96 IonicContact OE1-NH2 3.76Å; E93-R96 PolarHBondContact OE1-NH2 2.87Å; E93-R96 IonicContact OE2-CZ 2.79Å; E93-R96 IonicContact OE2-NE 2.79Å; E93-R96 IonicContact OE2-NH2 3.39Å; E93-R96 PolarHBondContact OE2-NH2 3.13Å; E93-M97 WeakPolarHBondContact O-CB 3.29Å; E93-M97 PolarHBondContact O-N 2.88Å; E93-M97 VanDerWaalsContact O-N 3.17Å
94	C	95.6	Very high	94.6	Very high	1 Å²	1	76 Å²	76	1%	0.007	39%	0.388	C	S	.	.	H	α-helix	trans	-68.1	-52.8	176.7	-172	0	0	0	0	110.4	T37 I41 C87 S91 F92 R96 M97 V98	T37-C94 HydrophobicContact CG2-CB 4.18Å; I41-C94 VanDerWaalsContact CG1-SG 3.55Å; C87-C94 HydrophobicContact CB-CB 3.72Å; C87-C94 WeakPolarHBondContact CB-SG 3.1Å; C87-C94 WeakPolarHBondContact SG-CB 2.96Å; C87-C94 PolarHBondContact SG-O 3.08Å; C87-C94 CovalentContact SG-SG 2.03Å; C87-C94 PolarHBondContact SG-SG 3.07Å; S91-C94 PolarHBondContact O-N 3.38Å; S91-C94 WeakPolarHBondContact OG-CB 3.31Å; F92-C94 VanDerWaalsContact C-N 3.35Å; F92-C94 PolarHBondContact O-N 3.06Å; C94-R96 VanDerWaalsContact C-N 3.33Å; C94-R96 PolarHBondContact O-N 3.13Å; C94-M97 PolarHBondContact O-N 2.03Å; C94-M97 VanDerWaalsContact O-N 3.16Å; C94-V98 WeakPolarHBondContact O-CG2 2.93Å; C94-V98 PolarHBondContact O-N 2.73Å
95	N	94.9	Very high	94.7	Very high	44 Å²	44	68.9 Å²	68.9	24%	0.235	35%	0.354	C	S	.	.	H	α-helix	trans	-58.7	-46.1	-179.6	-70.8	-65.6	0	0	0	110.9	C87 D88 S91 F92 M97 V98 E99	C87-N95 VanDerWaalsContact CB-OD1 3.29Å; C87-N95 WeakPolarHBondContact CB-OD1 3.47Å; D88-N95 PolarHBondContact O-ND2 2.93Å; S91-N95 PolarHBondContact O-N 3.42Å; S91-N95 PolarHBondContact O-ND2 3.27Å; F92-N95 PolarHBondContact O-N 2.86Å; N95-M97 VanDerWaalsContact C-N 3.35Å; N95-M97 PolarHBondContact O-N 3.13Å; N95-V98 PolarHBondContact O-N 3.42Å; N95-E99 WeakPolarHBondContact O-CB 3.45Å; N95-E99 VanDerWaalsContact O-CG 3.31Å; N95-E99 WeakPolarHBondContact O-CG 3.31Å; N95-E99 PolarHBondContact O-N 3.19Å
96	R	95.1	Very high	94.8	Very high	96 Å²	96	67.5 Å²	67.5	36%	0.362	35%	0.345	S	S	.	.	H	α-helix	trans	-55.8	-46.8	175.8	-178.5	174.9	68.7	169.6	4	112.4	F92 E93 C94 E99 E100	F92-R96 VanDerWaalsContact O-CB 3.3Å; F92-R96 WeakPolarHBondContact O-CB 3.39Å; F92-R96 PolarHBondContact O-N 2.84Å; E93-R96 IonicContact OE1-CZ 3.14Å; E93-R96 IonicContact OE1-NH2 3.76Å; E93-R96 PolarHBondContact OE1-NH2 2.87Å; E93-R96 IonicContact OE2-CZ 2.79Å; E93-R96 IonicContact OE2-NE 2.79Å; E93-R96 IonicContact OE2-NH2 3.39Å; E93-R96 PolarHBondContact OE2-NH2 3.13Å; C94-R96 VanDerWaalsContact C-N 3.33Å; C94-R96 PolarHBondContact O-N 3.13Å; R96-E99 PolarHBondContact O-N 3.11Å; R96-E100 HydrophobicContact CG-CG 4.35Å; R96-E100 WeakPolarHBondContact CG-OE1 3.44Å; R96-E100 WeakPolarHBondContact O-CB 3.23Å; R96-E100 VanDerWaalsContact O-CG 3.3Å; R96-E100 WeakPolarHBondContact O-CG 3.03Å; R96-E100 PolarHBondContact O-N 3.06Å
97	M	95.9	Very high	94.9	Very high	22 Å²	22	69.2 Å²	69.2	11%	0.108	36%	0.356	C	S	.	.	H	α-helix	trans	-67.1	-36.2	-179.2	-177.8	177.1	-67.4	0	0	112.5	A34 T37 C38 I41 E93 C94 N95 H101 I128	A34-M97 HydrophobicContact CB-CE 4.49Å; T37-M97 HydrophobicContact CG2-CE 4.18Å; T37-M97 HydrophobicContact CG2-SD 4.17Å; C38-M97 HydrophobicContact CB-CE 4.44Å; C38-M97 HydrophobicContact CB-SD 3.7Å; I41-M97 HydrophobicContact CD1-CB 3.85Å; I41-M97 HydrophobicContact CD1-CG 3.83Å; I41-M97 HydrophobicContact CD1-SD 3.67Å; E93-M97 WeakPolarHBondContact O-CB 3.29Å; E93-M97 PolarHBondContact O-N 2.88Å; E93-M97 VanDerWaalsContact O-N 3.17Å; C94-M97 PolarHBondContact O-N 2.03Å; C94-M97 VanDerWaalsContact O-N 3.16Å; N95-M97 VanDerWaalsContact C-N 3.35Å; N95-M97 PolarHBondContact O-N 3.13Å; M97-H101 WeakPolarHBondContact O-CB 3.43Å; M97-H101 PolarHBondContact O-CD2 3.32Å; M97-H101 PolarHBondContact O-N 3.03Å; M97-I128 HydrophobicContact SD-CD1 4.24Å
98	V	96.3	Very high	94.9	Very high	12 Å²	12	68.7 Å²	68.7	7%	0.073	35%	0.351	C	S	.	.	H	α-helix	trans	-66.3	-50.3	175.4	173.3	0	0	0	0	110.1	I41 L86 C87 C94 N95 E100 H101 E102	I41-V98 HydrophobicContact CD1-CG2 3.8Å; I41-V98 HydrophobicContact CG1-CG2 4.01Å; I41-V98 HydrophobicContact CG2-CG2 4.01Å; L86-V98 HydrophobicContact CB-CG2 4.34Å; L86-V98 HydrophobicContact CD1-CG1 4.29Å; L86-V98 HydrophobicContact CD1-CG2 4.05Å; C87-V98 VanDerWaalsContact SG-CG2 3.58Å; C94-V98 WeakPolarHBondContact O-CG2 2.93Å; C94-V98 PolarHBondContact O-N 2.73Å; N95-V98 PolarHBondContact O-N 3.42Å; V98-E100 PolarHBondContact O-N 2.85Å; V98-H101 CarbonylContact O-C 3.45Å; V98-H101 PolarHBondContact O-N 3.03Å; V98-E102 WeakPolarHBondContact O-CG 3.02Å; V98-E102 PolarHBondContact O-N 3.5Å; V98-E102 VanDerWaalsContact O-N 3.08Å
99	E	94.9	Very high	94.9	Very high	133 Å²	133	64.7 Å²	64.7	62%	0.621	33%	0.328	S	S	*	.	H	α-helix	trans	-58.7	-45.2	179.2	-72.4	175.3	-176.8	0	0	112.3	N95 R96 H101	N95-E99 WeakPolarHBondContact O-CB 3.45Å; N95-E99 VanDerWaalsContact O-CG 3.31Å; N95-E99 WeakPolarHBondContact O-CG 3.31Å; N95-E99 PolarHBondContact O-N 3.19Å; R96-E99 PolarHBondContact O-N 3.11Å; E99-H101 PolarHBondContact O-N 2.93Å
100	E	96	Very high	95.2	Very high	125 Å²	125	63.9 Å²	63.9	58%	0.584	31%	0.311	S	S	*	.	H	α-helix	trans	-65.1	-18	178.3	-75.9	179	-179.5	0	0	113.3	R96 V98	R96-E100 HydrophobicContact CG-CG 4.35Å; R96-E100 WeakPolarHBondContact CG-OE1 3.44Å; R96-E100 WeakPolarHBondContact O-CB 3.23Å; R96-E100 VanDerWaalsContact O-CG 3.3Å; R96-E100 WeakPolarHBondContact O-CG 3.03Å; R96-E100 PolarHBondContact O-N 3.06Å; V98-E100 PolarHBondContact O-N 2.85Å
101	H	96.8	Very high	95.3	Very high	38 Å²	38	66.5 Å²	66.5	18%	0.176	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	20.2	-170.6	-63.5	-36.1	0	0	0	115.6	M97 V98 E99 E103 Q104 F105 F123	M97-H101 WeakPolarHBondContact O-CB 3.43Å; M97-H101 PolarHBondContact O-CD2 3.32Å; M97-H101 PolarHBondContact O-N 3.03Å; V98-H101 CarbonylContact O-C 3.45Å; V98-H101 PolarHBondContact O-N 3.03Å; E99-H101 PolarHBondContact O-N 2.93Å; H101-E103 VanDerWaalsContact C-N 3.28Å; H101-E103 PolarHBondContact O-N 3.16Å; H101-Q104 WeakPolarHBondContact O-CB 3.47Å; H101-Q104 PolarHBondContact O-N 3.16Å; H101-Q104 VanDerWaalsContact O-N 3.1Å; H101-Q104 PolarHBondContact O-OE1 3.03Å; H101-Q104 VanDerWaalsContact O-OE1 3.07Å; H101-F105 VanDerWaalsContact O-CD2 3.24Å; H101-F105 WeakPolarHBondContact O-CD2 3.42Å; H101-F105 PolarHBondContact O-N 2.79Å; H101-F123 HydrophobicContact CB-CE2 3.77Å; H101-F123 HydrophobicContact CB-CZ 3.61Å; H101-F123 AromaticContact CD2-CZ 3.81Å; H101-F123 AromaticContact CG-CZ 3.95Å
102	E	95.4	Very high	95.3	Very high	88 Å²	88	68.8 Å²	68.8	41%	0.411	31%	0.314	S	S	.	.	H	α-helix	trans	-55.7	-41	178	-66.6	-178.1	170.3	0	0	112.5	V98 Q104 F105 E106	V98-E102 WeakPolarHBondContact O-CG 3.02Å; V98-E102 PolarHBondContact O-N 3.5Å; V98-E102 VanDerWaalsContact O-N 3.08Å; E102-Q104 VanDerWaalsContact C-N 3.26Å; E102-Q104 PolarHBondContact O-N 2.89Å; E102-F105 PolarHBondContact O-N 2.83Å; E102-F105 VanDerWaalsContact O-N 3.11Å; E102-E106 PolarHBondContact O-N 2.84Å
103	E	95.6	Very high	95.2	Very high	142 Å²	142	64.2 Å²	64.2	66%	0.664	29%	0.294	S	S	*	.	H	α-helix	trans	-61.1	-35.1	179.2	-170.6	-172.4	170.1	0	0	112.1	H101 T107	H101-E103 VanDerWaalsContact C-N 3.28Å; H101-E103 PolarHBondContact O-N 3.16Å; E103-T107 VanDerWaalsContact O-CB 3.23Å; E103-T107 WeakPolarHBondContact O-CB 3.48Å; E103-T107 PolarHBondContact O-N 3.19Å; E103-T107 PolarHBondContact O-OG1 3.42Å
104	Q	96.7	Very high	95.1	Very high	50 Å²	50	67 Å²	67	23%	0.234	32%	0.317	C	S	.	.	H	α-helix	trans	-69.7	-39.5	178.1	-69.2	76.4	-1.7	0	0	110.4	H101 E102 T107 W108 W122 F123 T127	H101-Q104 WeakPolarHBondContact O-CB 3.47Å; H101-Q104 PolarHBondContact O-N 3.16Å; H101-Q104 VanDerWaalsContact O-N 3.1Å; H101-Q104 PolarHBondContact O-OE1 3.03Å; H101-Q104 VanDerWaalsContact O-OE1 3.07Å; E102-Q104 VanDerWaalsContact C-N 3.26Å; E102-Q104 PolarHBondContact O-N 2.89Å; Q104-T107 PolarHBondContact O-N 2.83Å; Q104-W108 WeakPolarHBondContact O-CB 3.47Å; Q104-W108 PolarHBondContact O-N 3.42Å; Q104-W122 HydrophobicContact CB-CH2 4.22Å; Q104-W122 HydrophobicContact CB-CZ3 4.32Å; Q104-W122 VanDerWaalsContact O-CH2 3.31Å; Q104-W122 WeakPolarHBondContact O-CH2 3.39Å; Q104-W122 WeakPolarHBondContact O-CZ3 3.36Å; Q104-F123 HydrophobicContact CB-CD2 4.09Å; Q104-F123 HydrophobicContact CB-CE2 3.79Å; Q104-F123 HydrophobicContact CG-CE2 4.35Å; Q104-T127 HydrophobicContact CG-CG2 4Å
105	F	96.4	Very high	95.1	Very high	1 Å²	1	74.8 Å²	74.8	0%	0.004	35%	0.351	C	S	.	.	H	α-helix	trans	-63.9	-45.5	174.6	-74.8	-73.4	0	0	0	111.9	I41 F45 L83 H101 E102 W108 W109 L119 F123	I41-F105 HydrophobicContact CG2-CE1 4.33Å; I41-F105 HydrophobicContact CG2-CE2 4.46Å; I41-F105 HydrophobicContact CG2-CZ 3.61Å; F45-F105 AromaticContact CD2-CD1 3.98Å; F45-F105 HydrophobicContact CD2-CD1 3.98Å; F45-F105 HydrophobicContact CD2-CE1 4.05Å; F45-F105 AromaticContact CE2-CD1 3.95Å; F45-F105 HydrophobicContact CE2-CD1 3.95Å; F45-F105 HydrophobicContact CE2-CE1 4.48Å; L83-F105 HydrophobicContact CD2-CB 4.06Å; L83-F105 HydrophobicContact CD2-CD1 4.15Å; L83-F105 HydrophobicContact CD2-CD2 4.14Å; L83-F105 HydrophobicContact CD2-CG 3.86Å; H101-F105 VanDerWaalsContact O-CD2 3.24Å; H101-F105 WeakPolarHBondContact O-CD2 3.42Å; H101-F105 PolarHBondContact O-N 2.79Å; E102-F105 PolarHBondContact O-N 2.83Å; E102-F105 VanDerWaalsContact O-N 3.11Å; F105-W108 PolarHBondContact O-N 3.26Å; F105-W109 VanDerWaalsContact O-CB 3.32Å; F105-W109 WeakPolarHBondContact O-CB 3.06Å; F105-W109 PolarHBondContact O-N 3.32Å; F105-L119 HydrophobicContact CE1-CD1 4.49Å; F105-L119 HydrophobicContact CE1-CD2 4.2Å; F105-F123 HydrophobicContact CE1-CE1 4.49Å; F105-F123 HydrophobicContact CE2-CE1 4.09Å; F105-F123 HydrophobicContact CE2-CE2 4.31Å; F105-F123 AromaticContact CE2-CZ 3.8Å; F105-F123 HydrophobicContact CE2-CZ 3.8Å; F105-F123 HydrophobicContact CZ-CD1 4.11Å; F105-F123 AromaticContact CZ-CE1 3.67Å; F105-F123 HydrophobicContact CZ-CE1 3.67Å; F105-F123 HydrophobicContact CZ-CE2 4.42Å; F105-F123 AromaticContact CZ-CZ 3.84Å; F105-F123 HydrophobicContact CZ-CZ 3.84Å
106	E	95.4	Very high	95	Very high	68 Å²	68	75.5 Å²	75.5	32%	0.318	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-47.2	174.6	-70.7	-174.1	175.4	0	0	111.9	L79 E102 W108 W109 F110	L79-E106 HydrophobicContact CD2-CB 4.39Å; L79-E106 HydrophobicContact CD2-CG 3.88Å; E102-E106 PolarHBondContact O-N 2.84Å; E106-W108 PolarHBondContact O-N 2.03Å; E106-W109 PolarHBondContact O-N 3.48Å; E106-F110 HydrophobicContact CB-CD2 4.3Å; E106-F110 HydrophobicContact CB-CE2 4.43Å; E106-F110 WeakPolarHBondContact O-CD2 3.29Å; E106-F110 PolarHBondContact O-N 3.08Å
107	T	96.1	Very high	95	Very high	37 Å²	37	75.8 Å²	75.8	23%	0.227	37%	0.367	C	S	.	.	H	α-helix	trans	-59.1	-41	178.3	-68.9	0	0	0	0	110.9	E103 Q104 K111 K112	E103-T107 VanDerWaalsContact O-CB 3.23Å; E103-T107 WeakPolarHBondContact O-CB 3.48Å; E103-T107 PolarHBondContact O-N 3.19Å; E103-T107 PolarHBondContact O-OG1 3.42Å; Q104-T107 PolarHBondContact O-N 2.83Å; T107-K111 WeakPolarHBondContact O-CA 3.05Å; T107-K111 VanDerWaalsContact O-CB 3.31Å; T107-K111 WeakPolarHBondContact O-CB 3.49Å; T107-K111 PolarHBondContact O-N 3.46Å; T107-K112 HydrophobicContact CG2-CG 4.16Å; T107-K112 PolarHBondContact O-N 3.14Å
108	W	96.3	Very high	95	Very high	6 Å²	6	78.6 Å²	78.6	2%	0.023	38%	0.382	C	S	.	.	I	π-helix	trans	-63.9	-54	175.4	-175.2	83.9	0	0	0	111.5	F45 Q104 F105 E106 F110 K112 K113 H116 L119 W122	F45-W108 HydrophobicContact CE1-CE3 4.46Å; F45-W108 HydrophobicContact CE1-CH2 4.42Å; F45-W108 AromaticContact CE1-CZ3 3.73Å; F45-W108 HydrophobicContact CE1-CZ3 3.73Å; F45-W108 HydrophobicContact CZ-CZ3 4.14Å; Q104-W108 WeakPolarHBondContact O-CB 3.47Å; Q104-W108 PolarHBondContact O-N 3.42Å; F105-W108 PolarHBondContact O-N 3.26Å; E106-W108 PolarHBondContact O-N 2.03Å; W108-F110 PolarHBondContact O-N 3.38Å; W108-K112 PolarHBondContact O-N 3.09Å; W108-K113 HydrophobicContact CD2-CB 4.09Å; W108-K113 HydrophobicContact CE3-CB 4.21Å; W108-K113 HydrophobicContact CE3-CD 4.41Å; W108-K113 HydrophobicContact CE3-CG 4.46Å; W108-K113 HydrophobicContact CH2-CB 4.19Å; W108-K113 HydrophobicContact CH2-CD 3.8Å; W108-K113 HydrophobicContact CH2-CG 3.65Å; W108-K113 HydrophobicContact CZ2-CB 4.04Å; W108-K113 HydrophobicContact CZ2-CD 4.42Å; W108-K113 HydrophobicContact CZ2-CG 3.77Å; W108-K113 HydrophobicContact CZ3-CB 4.26Å; W108-K113 HydrophobicContact CZ3-CD 3.78Å; W108-K113 HydrophobicContact CZ3-CG 4.01Å; W108-K113 WeakPolarHBondContact O-CB 3.38Å; W108-K113 PolarHBondContact O-N 3.4Å; W108-H116 PolarHBondContact NE1-O 2.92Å; W108-L119 HydrophobicContact CB-CD1 4.41Å; W108-L119 HydrophobicContact CD2-CD1 3.63Å; W108-L119 HydrophobicContact CE3-CD1 4.03Å; W108-L119 HydrophobicContact CG-CD1 3.79Å; W108-L119 HydrophobicContact CH2-CB 4.23Å; W108-L119 HydrophobicContact CZ2-CB 3.86Å; W108-L119 HydrophobicContact CZ2-CD1 4.34Å; W108-W122 HydrophobicContact CB-CE3 3.9Å; W108-W122 HydrophobicContact CB-CH2 3.9Å; W108-W122 HydrophobicContact CB-CZ3 3.55Å; W108-W122 AromaticContact CD1-CD2 3.51Å; W108-W122 AromaticContact CD1-CE3 3.38Å; W108-W122 AromaticContact CD1-CG 3.9Å; W108-W122 AromaticContact CD1-CZ3 3.98Å; W108-W122 HydrophobicContact CG-CD2 4.38Å; W108-W122 AromaticContact CG-CE3 3.89Å; W108-W122 HydrophobicContact CG-CE3 3.89Å; W108-W122 HydrophobicContact CG-CZ3 4.07Å
109	W	95.1	Very high	95	Very high	16 Å²	16	78 Å²	78	6%	0.061	38%	0.379	C	S	.	.	I	π-helix	trans	-54.5	-48.5	-176.2	-174.3	-105.7	0	0	0	112.6	F45 Y49 E73 S75 R78 L79 I82 F105 E106	F45-W109 HydrophobicContact CE1-CE3 4.31Å; F45-W109 HydrophobicContact CE1-CZ3 4.13Å; F45-W109 AromaticContact CZ-CE3 3.84Å; F45-W109 HydrophobicContact CZ-CE3 3.84Å; F45-W109 AromaticContact CZ-CZ3 3.91Å; F45-W109 HydrophobicContact CZ-CZ3 3.91Å; Y49-W109 AromaticContact CD2-CH2 3.66Å; Y49-W109 HydrophobicContact CD2-CH2 3.66Å; Y49-W109 AromaticContact CD2-CZ3 3.51Å; Y49-W109 HydrophobicContact CD2-CZ3 3.51Å; Y49-W109 AromaticContact CE2-CH2 3.61Å; Y49-W109 HydrophobicContact CE2-CH2 3.61Å; Y49-W109 AromaticContact CE2-CZ3 3.65Å; Y49-W109 HydrophobicContact CE2-CZ3 3.65Å; E73-W109 WeakPolarHBondContact O-CZ2 3.24Å; S75-W109 PolarHBondContact O-NE1 2.99Å; R78-W109 HydrophobicContact CB-CZ2 4.33Å; R78-W109 HydrophobicContact CG-CH2 4.21Å; R78-W109 HydrophobicContact CG-CZ2 4.17Å; L79-W109 HydrophobicContact CB-CD2 4.23Å; L79-W109 HydrophobicContact CB-CG 4.27Å; L79-W109 HydrophobicContact CD1-CB 4.19Å; L79-W109 HydrophobicContact CD1-CD2 4.05Å; L79-W109 HydrophobicContact CD1-CE3 4.08Å; L79-W109 HydrophobicContact CD1-CG 4.11Å; L79-W109 HydrophobicContact CD2-CB 3.91Å; L79-W109 HydrophobicContact CD2-CG 3.96Å; L79-W109 HydrophobicContact CG-CG 4.35Å; I82-W109 HydrophobicContact CD1-CH2 3.92Å; I82-W109 HydrophobicContact CD1-CZ3 4.08Å; F105-W109 VanDerWaalsContact O-CB 3.32Å; F105-W109 WeakPolarHBondContact O-CB 3.06Å; F105-W109 PolarHBondContact O-N 3.32Å; E106-W109 PolarHBondContact O-N 3.48Å
110	F	94.1	Very high	95.1	Very high	101 Å²	101	73.5 Å²	73.5	44%	0.443	36%	0.358	S	S	.	.	I	π-helix	trans	-90.3	-28	-173.9	-64.5	-63.9	0	0	0	114.3	E76 L79 E106 W108	E76-F110 HydrophobicContact CB-CZ 3.89Å; E76-F110 HydrophobicContact CG-CZ 4.29Å; L79-F110 HydrophobicContact CD2-CE2 4.26Å; E106-F110 HydrophobicContact CB-CD2 4.3Å; E106-F110 HydrophobicContact CB-CE2 4.43Å; E106-F110 WeakPolarHBondContact O-CD2 3.29Å; E106-F110 PolarHBondContact O-N 3.08Å; W108-F110 PolarHBondContact O-N 3.38Å
111	K	94	Very high	95.2	Very high	155 Å²	155	73 Å²	73	67%	0.674	35%	0.354	S	S	*	.	I	π-helix	trans	-125.7	-23.7	-167.2	-56.4	174.9	-175.6	162.6	0	115.3	T107	T107-K111 WeakPolarHBondContact O-CA 3.05Å; T107-K111 VanDerWaalsContact O-CB 3.31Å; T107-K111 WeakPolarHBondContact O-CB 3.49Å; T107-K111 PolarHBondContact O-N 3.46Å
112	K	93.3	Very high	95.2	Very high	85 Å²	85	72.4 Å²	72.4	37%	0.37	35%	0.35	S	S	.	.	I	π-helix	trans	-118.4	-24.7	-170.9	-53.5	-66.1	-176.8	178.2	0	114.9	T107 W108 T114 K115 H116 W122	T107-K112 HydrophobicContact CG2-CG 4.16Å; T107-K112 PolarHBondContact O-N 3.14Å; W108-K112 PolarHBondContact O-N 3.09Å; K112-T114 VanDerWaalsContact C-N 3.28Å; K112-T114 PolarHBondContact O-N 3.29Å; K112-T114 VanDerWaalsContact O-N 3.12Å; K112-K115 CarbonylContact O-C 3.3Å; K112-K115 PolarHBondContact O-N 3.1Å; K112-H116 PolarHBondContact O-N 3.45Å; K112-W122 HydrophobicContact CB-CZ2 4.46Å; K112-W122 HydrophobicContact CG-CZ2 4.02Å
113	K	91.6	Very high	95.3	Very high	46 Å²	46	68.2 Å²	68.2	20%	0.2	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-42	-174.8	177.2	175.5	176.9	-175.2	0	114.6	Y49 W108 K115 H116 P117	Y49-K113 PolarHBondContact OH-NZ 2.79Å; W108-K113 HydrophobicContact CD2-CB 4.09Å; W108-K113 HydrophobicContact CE3-CB 4.21Å; W108-K113 HydrophobicContact CE3-CD 4.41Å; W108-K113 HydrophobicContact CE3-CG 4.46Å; W108-K113 HydrophobicContact CH2-CB 4.19Å; W108-K113 HydrophobicContact CH2-CD 3.8Å; W108-K113 HydrophobicContact CH2-CG 3.65Å; W108-K113 HydrophobicContact CZ2-CB 4.04Å; W108-K113 HydrophobicContact CZ2-CD 4.42Å; W108-K113 HydrophobicContact CZ2-CG 3.77Å; W108-K113 HydrophobicContact CZ3-CB 4.26Å; W108-K113 HydrophobicContact CZ3-CD 3.78Å; W108-K113 HydrophobicContact CZ3-CG 4.01Å; W108-K113 WeakPolarHBondContact O-CB 3.38Å; W108-K113 PolarHBondContact O-N 3.4Å; K113-K115 VanDerWaalsContact C-N 3.34Å; K113-K115 PolarHBondContact O-N 3.35Å; K113-H116 CarbonylContact O-C 3.42Å; K113-H116 VanDerWaalsContact O-C 3.31Å; K113-P117 VanDerWaalsContact O-CA 3.31Å; K113-P117 WeakPolarHBondContact O-CA 3.01Å
114	T	91.3	Very high	95.4	Very high	141 Å²	141	61.5 Å²	61.5	87%	0.865	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-32.8	178.6	46.1	0	0	0	0	113.5	K112	K112-T114 VanDerWaalsContact C-N 3.28Å; K112-T114 PolarHBondContact O-N 3.29Å; K112-T114 VanDerWaalsContact O-N 3.12Å
115	K	95.1	Very high	95.4	Very high	164 Å²	164	60.2 Å²	60.2	71%	0.713	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-28.7	178.9	-172.4	178.1	178	-178.8	0	112.3	K112 K113	K112-K115 CarbonylContact O-C 3.3Å; K112-K115 PolarHBondContact O-N 3.1Å; K113-K115 VanDerWaalsContact C-N 3.34Å; K113-K115 PolarHBondContact O-N 3.35Å
116	H	94.4	Very high	95.4	Very high	60 Å²	60	64 Å²	64	28%	0.278	31%	0.313	S	S	.	.			trans	-130.7	75.4	-177.1	-60.1	-84	0	0	0	109.4	W108 K112 K113 D118 W122	W108-H116 PolarHBondContact NE1-O 2.92Å; K112-H116 PolarHBondContact O-N 3.45Å; K113-H116 CarbonylContact O-C 3.42Å; K113-H116 VanDerWaalsContact O-C 3.31Å; H116-D118 VanDerWaalsContact C-N 3.27Å; H116-D118 PolarHBondContact O-N 2.89Å; H116-W122 HydrophobicContact CB-CB 3.98Å; H116-W122 HydrophobicContact CB-CG 3.96Å; H116-W122 AromaticContact CD2-CD1 3.86Å; H116-W122 AromaticContact CG-CD1 3.54Å; H116-W122 AromaticContact ND1-CD1 3.87Å
117	P	94.9	Very high	95.4	Very high	101 Å²	101	63.4 Å²	63.4	66%	0.656	32%	0.315	S	S	*	.			trans	-69.6	-24.8	-174.7	27.4	-35.4	0	0	0	113.2	K113 L119	K113-P117 VanDerWaalsContact O-CA 3.31Å; K113-P117 WeakPolarHBondContact O-CA 3.01Å; P117-L119 PolarHBondContact O-N 3.09Å
118	D	96.3	Very high	95.4	Very high	82 Å²	82	63.1 Å²	63.1	44%	0.439	31%	0.312	S	S	.	.			trans	-82.2	99.8	173.9	-176	-17.6	0	0	0	109.8	H116 H120 K121 W122	H116-D118 VanDerWaalsContact C-N 3.27Å; H116-D118 PolarHBondContact O-N 2.89Å; D118-H120 VanDerWaalsContact C-N 3.33Å; D118-H120 WeakPolarHBondContact OD1-CB 3.45Å; D118-H120 PolarHBondContact OD1-N 3.47Å; D118-K121 HydrophobicContact CB-CB 3.98Å; D118-K121 VanDerWaalsContact CG-CB 3.47Å; D118-K121 PolarHBondContact OD1-N 2.95Å; D118-K121 WeakPolarHBondContact OD2-CB 3.16Å; D118-W122 WeakPolarHBondContact O-CB 3.4Å; D118-W122 PolarHBondContact O-N 3.41Å
119	L	96.5	Very high	95.3	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-38.6	178.5	178.8	62.5	0	0	0	111.7	T42 F45 F105 W108 P117 W122 F123	T42-L119 HydrophobicContact CG2-CD2 4.28Å; T42-L119 HydrophobicContact CG2-CG 4.01Å; F45-L119 HydrophobicContact CB-CD2 3.81Å; F45-L119 HydrophobicContact CD1-CD2 3.35Å; F45-L119 HydrophobicContact CD2-CD2 4.15Å; F45-L119 HydrophobicContact CE1-CD2 3.95Å; F45-L119 HydrophobicContact CG-CD2 3.48Å; F45-L119 VanDerWaalsContact CG-CD2 3.48Å; F105-L119 HydrophobicContact CE1-CD1 4.49Å; F105-L119 HydrophobicContact CE1-CD2 4.2Å; W108-L119 HydrophobicContact CB-CD1 4.41Å; W108-L119 HydrophobicContact CD2-CD1 3.63Å; W108-L119 HydrophobicContact CE3-CD1 4.03Å; W108-L119 HydrophobicContact CG-CD1 3.79Å; W108-L119 HydrophobicContact CH2-CB 4.23Å; W108-L119 HydrophobicContact CZ2-CB 3.86Å; W108-L119 HydrophobicContact CZ2-CD1 4.34Å; P117-L119 PolarHBondContact O-N 3.09Å; L119-W122 HydrophobicContact CD1-CE3 4.35Å; L119-W122 PolarHBondContact O-N 2.97Å; L119-F123 HydrophobicContact CD1-CB 4.03Å; L119-F123 HydrophobicContact CG-CB 4.49Å; L119-F123 WeakPolarHBondContact O-CB 3.23Å; L119-F123 PolarHBondContact O-N 3.25Å
120	H	96.9	Very high	95.3	Very high	37 Å²	37	69.6 Å²	69.6	17%	0.171	34%	0.343	C	S	.	.	H	α-helix	trans	-63.1	-48.4	-179.6	-179.4	76	0	0	0	111.1	H39 T42 D118 C124 I125	H39-H120 AromaticContact CD2-CE1 3.63Å; H39-H120 AromaticContact CD2-ND1 3.9Å; T42-H120 PolarHBondContact OG1-ND1 3.44Å; T42-H120 VanDerWaalsContact OG1-ND1 3.16Å; D118-H120 VanDerWaalsContact C-N 3.33Å; D118-H120 WeakPolarHBondContact OD1-CB 3.45Å; D118-H120 PolarHBondContact OD1-N 3.47Å; H120-C124 PolarHBondContact ND1-SG 3.35Å; H120-C124 VanDerWaalsContact O-CB 3.31Å; H120-C124 WeakPolarHBondContact O-CB 3.43Å; H120-C124 PolarHBondContact O-N 3.17Å; H120-I125 PolarHBondContact O-N 3.06Å
121	K	97	Very high	95.5	Very high	115 Å²	115	64.8 Å²	64.8	50%	0.5	32%	0.321	S	S	.	.	I	π-helix	trans	-60.4	-49.3	176.3	-178.9	173	-178.7	170	0	111.7	D118 I125 D126	D118-K121 HydrophobicContact CB-CB 3.98Å; D118-K121 VanDerWaalsContact CG-CB 3.47Å; D118-K121 PolarHBondContact OD1-N 2.95Å; D118-K121 WeakPolarHBondContact OD2-CB 3.16Å; K121-I125 WeakPolarHBondContact O-CB 3.24Å; K121-I125 PolarHBondContact O-N 3.37Å; K121-D126 PolarHBondContact O-N 3.35Å
122	W	97.6	Very high	95.6	Very high	26 Å²	26	57.6 Å²	57.6	10%	0.098	29%	0.29	C	S	.	.	I	π-helix	trans	-67.3	-45.5	-177.1	-179.6	81.5	0	0	0	112.4	Q104 W108 K112 H116 D118 L119 T127	Q104-W122 HydrophobicContact CB-CH2 4.22Å; Q104-W122 HydrophobicContact CB-CZ3 4.32Å; Q104-W122 VanDerWaalsContact O-CH2 3.31Å; Q104-W122 WeakPolarHBondContact O-CH2 3.39Å; Q104-W122 WeakPolarHBondContact O-CZ3 3.36Å; W108-W122 HydrophobicContact CB-CE3 3.9Å; W108-W122 HydrophobicContact CB-CH2 3.9Å; W108-W122 HydrophobicContact CB-CZ3 3.55Å; W108-W122 AromaticContact CD1-CD2 3.51Å; W108-W122 AromaticContact CD1-CE3 3.38Å; W108-W122 AromaticContact CD1-CG 3.9Å; W108-W122 AromaticContact CD1-CZ3 3.98Å; W108-W122 HydrophobicContact CG-CD2 4.38Å; W108-W122 AromaticContact CG-CE3 3.89Å; W108-W122 HydrophobicContact CG-CE3 3.89Å; W108-W122 HydrophobicContact CG-CZ3 4.07Å; K112-W122 HydrophobicContact CB-CZ2 4.46Å; K112-W122 HydrophobicContact CG-CZ2 4.02Å; H116-W122 HydrophobicContact CB-CB 3.98Å; H116-W122 HydrophobicContact CB-CG 3.96Å; H116-W122 AromaticContact CD2-CD1 3.86Å; H116-W122 AromaticContact CG-CD1 3.54Å; H116-W122 AromaticContact ND1-CD1 3.87Å; D118-W122 WeakPolarHBondContact O-CB 3.4Å; D118-W122 PolarHBondContact O-N 3.41Å; L119-W122 HydrophobicContact CD1-CE3 4.35Å; L119-W122 PolarHBondContact O-N 2.97Å; W122-T127 WeakPolarHBondContact O-CB 3.29Å; W122-T127 PolarHBondContact O-N 3.03Å; W122-T127 PolarHBondContact O-OG1 3.22Å
123	F	97.8	Very high	95.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.292	C	S	.	.	I	π-helix	trans	-81.1	-65.4	-174.1	-176.3	-118.7	0	0	0	111.4	C38 T42 H101 Q104 F105 L119 T127 I128	C38-F123 WeakPolarHBondContact SG-CD1 3.33Å; C38-F123 VanDerWaalsContact SG-CE1 3.59Å; T42-F123 HydrophobicContact CG2-CD1 3.93Å; H101-F123 HydrophobicContact CB-CE2 3.77Å; H101-F123 HydrophobicContact CB-CZ 3.61Å; H101-F123 AromaticContact CD2-CZ 3.81Å; H101-F123 AromaticContact CG-CZ 3.95Å; Q104-F123 HydrophobicContact CB-CD2 4.09Å; Q104-F123 HydrophobicContact CB-CE2 3.79Å; Q104-F123 HydrophobicContact CG-CE2 4.35Å; F105-F123 HydrophobicContact CE1-CE1 4.49Å; F105-F123 HydrophobicContact CE2-CE1 4.09Å; F105-F123 HydrophobicContact CE2-CE2 4.31Å; F105-F123 AromaticContact CE2-CZ 3.8Å; F105-F123 HydrophobicContact CE2-CZ 3.8Å; F105-F123 HydrophobicContact CZ-CD1 4.11Å; F105-F123 AromaticContact CZ-CE1 3.67Å; F105-F123 HydrophobicContact CZ-CE1 3.67Å; F105-F123 HydrophobicContact CZ-CE2 4.42Å; F105-F123 AromaticContact CZ-CZ 3.84Å; F105-F123 HydrophobicContact CZ-CZ 3.84Å; L119-F123 HydrophobicContact CD1-CB 4.03Å; L119-F123 HydrophobicContact CG-CB 4.49Å; L119-F123 WeakPolarHBondContact O-CB 3.23Å; L119-F123 PolarHBondContact O-N 3.25Å; F123-T127 WeakPolarHBondContact O-CB 3.44Å; F123-T127 PolarHBondContact O-N 3.24Å; F123-I128 HydrophobicContact CD2-CG2 4.26Å; F123-I128 HydrophobicContact CE1-CD1 4Å; F123-I128 HydrophobicContact CE2-CG2 3.8Å; F123-I128 HydrophobicContact CZ-CD1 4Å; F123-I128 HydrophobicContact CZ-CG2 4.24Å; F123-I128 WeakPolarHBondContact O-CG1 3.35Å; F123-I128 PolarHBondContact O-N 2.84Å
124	C	97.4	Very high	96	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.319	C	S	.	.	I	π-helix	trans	-71.1	-35.6	-170.6	-58.8	0	0	0	0	113.7	C38 T42 H120 K129 V130 C131	C38-C124 HydrophobicContact CB-CB 3.95Å; C38-C124 WeakPolarHBondContact CB-SG 3.35Å; C38-C124 PolarHBondContact O-SG 3.22Å; C38-C124 VanDerWaalsContact O-SG 3.38Å; C38-C124 WeakPolarHBondContact SG-CA 3.49Å; C38-C124 WeakPolarHBondContact SG-CB 3.4Å; C38-C124 CovalentContact SG-SG 2.03Å; C38-C124 PolarHBondContact SG-SG 2.62Å; T42-C124 VanDerWaalsContact CG2-SG 3.55Å; H120-C124 PolarHBondContact ND1-SG 3.35Å; H120-C124 VanDerWaalsContact O-CB 3.31Å; H120-C124 WeakPolarHBondContact O-CB 3.43Å; H120-C124 PolarHBondContact O-N 3.17Å; C124-K129 CarbonylContact O-C 3.07Å; C124-K129 WeakPolarHBondContact O-CA 3.37Å; C124-K129 PolarHBondContact O-N 3.21Å; C124-V130 HydrophobicContact CB-CG2 4.41Å; C124-V130 PolarHBondContact O-N 2.82Å; C124-C131 HydrophobicContact CB-CB 4Å; C124-C131 PolarHBondContact O-N 3.18Å
125	I	96.8	Very high	96.2	Very high	23 Å²	23	56.1 Å²	56.1	12%	0.118	28%	0.279	C	S	.	.	I	π-helix	trans	-94.6	-54	-175.3	-54.1	177.5	0	0	0	111.1	H120 K121 K129 C131 P133	H120-I125 PolarHBondContact O-N 3.06Å; K121-I125 WeakPolarHBondContact O-CB 3.24Å; K121-I125 PolarHBondContact O-N 3.37Å; I125-K129 WeakPolarHBondContact O-CA 3.25Å; I125-K129 WeakPolarHBondContact O-CG 3.38Å; I125-C131 HydrophobicContact CG1-CB 3.89Å; I125-P133 HydrophobicContact CG2-CG 4.28Å
126	D	95.9	Very high	96.3	Very high	80 Å²	80	49 Å²	49	43%	0.428	25%	0.249	S	C	.	.	I	π-helix	trans	-85.3	-38.9	-170.9	-65.6	-23.1	0	0	0	113.2	K121	K121-D126 PolarHBondContact O-N 3.35Å
127	T	95.6	Very high	96.4	Very high	56 Å²	56	47.7 Å²	47.7	34%	0.344	24%	0.243	S	C	.	.	I	π-helix	trans	-89.4	-64.5	-171.3	-59.1	0	0	0	0	112.3	Q104 W122 F123	Q104-T127 HydrophobicContact CG-CG2 4Å; W122-T127 WeakPolarHBondContact O-CB 3.29Å; W122-T127 PolarHBondContact O-N 3.03Å; W122-T127 PolarHBondContact O-OG1 3.22Å; F123-T127 WeakPolarHBondContact O-CB 3.44Å; F123-T127 PolarHBondContact O-N 3.24Å
128	I	95.3	Very high	96.4	Very high	32 Å²	32	43 Å²	43	16%	0.164	21%	0.212	C	C	.	.	S	Bend	trans	-92	-10.9	-176.9	70.7	163.9	0	0	0	112.8	M97 F123 V130	M97-I128 HydrophobicContact SD-CD1 4.24Å; F123-I128 HydrophobicContact CD2-CG2 4.26Å; F123-I128 HydrophobicContact CE1-CD1 4Å; F123-I128 HydrophobicContact CE2-CG2 3.8Å; F123-I128 HydrophobicContact CZ-CD1 4Å; F123-I128 HydrophobicContact CZ-CG2 4.24Å; F123-I128 WeakPolarHBondContact O-CG1 3.35Å; F123-I128 PolarHBondContact O-N 2.84Å; I128-V130 HydrophobicContact CD1-CB 4.39Å; I128-V130 HydrophobicContact CD1-CG1 3.85Å; I128-V130 HydrophobicContact CD1-CG2 3.63Å; I128-V130 HydrophobicContact CG1-CB 4.48Å; I128-V130 HydrophobicContact CG1-CG1 4.03Å; I128-V130 HydrophobicContact CG1-CG2 3.85Å; I128-V130 PolarHBondContact O-N 3.04Å; I128-V130 VanDerWaalsContact O-N 3.14Å
129	K	95.1	Very high	96.3	Very high	131 Å²	131	43.2 Å²	43.2	57%	0.57	22%	0.218	S	C	*	.			trans	55.8	28.9	171.8	-60.9	-178.8	177.7	-179.8	0	115	C124 I125 R164	C124-K129 CarbonylContact O-C 3.07Å; C124-K129 WeakPolarHBondContact O-CA 3.37Å; C124-K129 PolarHBondContact O-N 3.21Å; I125-K129 WeakPolarHBondContact O-CA 3.25Å; I125-K129 WeakPolarHBondContact O-CG 3.38Å; K129-R164 WeakPolarHBondContact O-CG 3.48Å; K129-R164 PolarHBondContact O-NE 3.08Å
130	V	95.1	Very high	96.2	Very high	27 Å²	27	49.1 Å²	49.1	16%	0.164	25%	0.25	C	C	.	.			trans	-81.2	-22.7	175.9	-59.9	0	0	0	0	112.3	A34 C35 C38 C124 I128 R164	A34-V130 HydrophobicContact CB-CB 4.28Å; A34-V130 HydrophobicContact CB-CG1 4.41Å; C35-V130 WeakPolarHBondContact CB-O 3.46Å; C38-V130 HydrophobicContact CB-CG2 3.57Å; C124-V130 HydrophobicContact CB-CG2 4.41Å; C124-V130 PolarHBondContact O-N 2.82Å; I128-V130 HydrophobicContact CD1-CB 4.39Å; I128-V130 HydrophobicContact CD1-CG1 3.85Å; I128-V130 HydrophobicContact CD1-CG2 3.63Å; I128-V130 HydrophobicContact CG1-CB 4.48Å; I128-V130 HydrophobicContact CG1-CG1 4.03Å; I128-V130 HydrophobicContact CG1-CG2 3.85Å; I128-V130 PolarHBondContact O-N 3.04Å; I128-V130 VanDerWaalsContact O-N 3.14Å; V130-R164 WeakPolarHBondContact O-CG 3.36Å
131	C	97.1	Very high	96.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-111	167.6	177.4	-68.4	0	0	0	0	113	C35 C124 I125	C35-C131 WeakPolarHBondContact CA-SG 3.3Å; C35-C131 HydrophobicContact CB-CB 4.13Å; C35-C131 WeakPolarHBondContact CB-SG 3.35Å; C35-C131 PolarHBondContact O-SG 3.24Å; C35-C131 WeakPolarHBondContact SG-CA 3.47Å; C35-C131 WeakPolarHBondContact SG-CB 3.38Å; C35-C131 CovalentContact SG-SG 2.05Å; C35-C131 PolarHBondContact SG-SG 2.93Å; C124-C131 HydrophobicContact CB-CB 4Å; C124-C131 PolarHBondContact O-N 3.18Å; I125-C131 HydrophobicContact CG1-CB 3.89Å
132	C	97.1	Very high	96.1	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.02	25%	0.248	C	C	.	.			trans	-118.2	159.1	172.6	-72.9	0	0	0	0	110.7	T136 G138 C141 G162 T163	C132-T136 WeakPolarHBondContact CB-OG1 3.31Å; C132-G138 PolarHBondContact SG-O 2.69Å; C132-C141 WeakPolarHBondContact CA-SG 2.97Å; C132-C141 HydrophobicContact CB-CB 3.67Å; C132-C141 WeakPolarHBondContact CB-SG 3.49Å; C132-C141 WeakPolarHBondContact SG-CA 3.5Å; C132-C141 WeakPolarHBondContact SG-CB 3.32Å; C132-C141 CovalentContact SG-SG 2.03Å; C132-C141 PolarHBondContact SG-SG 3.01Å; C132-G162 PolarHBondContact N-O 3.24Å; C132-G162 CarbonylContact O-C 3.56Å; C132-G162 WeakPolarHBondContact O-CA 3.21Å; C132-G162 VanDerWaalsContact O-O 3.09Å; C132-T163 PolarHBondContact SG-O 3.34Å
133	P	96.8	Very high	96.1	Very high	62 Å²	62	48.9 Å²	48.9	40%	0.403	27%	0.267	S	S	.	.			trans	-56.9	152.1	166.9	-23.3	34.4	0	0	0	111.9	I125 T136	I125-P133 HydrophobicContact CG2-CG 4.28Å; P133-T136 WeakPolarHBondContact CD-OG1 3.42Å; P133-T136 PolarHBondContact O-N 3.07Å; P133-T136 PolarHBondContact O-OG1 3.25Å
134	K	95.6	Very high	96	Very high	178 Å²	178	49.1 Å²	49.1	77%	0.774	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	144.7	173.5	-68.4	-168.4	175.8	-172.6	0	111.4	T136	K134-T136 VanDerWaalsContact C-N 3.28Å
135	G	96.2	Very high	95.9	Very high	1 Å²	1	51 Å²	51	1%	0.01	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	18.7	-174	0	0	0	0	0	114.9	C144 S148 P151 D161	G135-C144 PolarHBondContact O-N 2.83Å; G135-S148 WeakPolarHBondContact CA-O 3.42Å; G135-S148 WeakPolarHBondContact O-CA 3.21Å; G135-P151 VanDerWaalsContact CA-CG 3.5Å; G135-D161 WeakPolarHBondContact CA-OD1 3.37Å; G135-D161 PolarHBondContact N-OD1 3.44Å
136	T	97.1	Very high	95.6	Very high	14 Å²	14	51.5 Å²	51.5	9%	0.086	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	153.7	175.2	70.6	0	0	0	0	111.5	C132 P133 K134 C141 N142 G162	C132-T136 WeakPolarHBondContact CB-OG1 3.31Å; P133-T136 WeakPolarHBondContact CD-OG1 3.42Å; P133-T136 PolarHBondContact O-N 3.07Å; P133-T136 PolarHBondContact O-OG1 3.25Å; K134-T136 VanDerWaalsContact C-N 3.28Å; T136-C141 WeakPolarHBondContact CB-O 3.41Å; T136-N142 CarbonylContact C-O 3.49Å; T136-N142 WeakPolarHBondContact CA-O 3.05Å; T136-N142 WeakPolarHBondContact CB-O 3.32Å; T136-G162 PolarHBondContact O-N 2.78Å
137	F	96.3	Very high	95.4	Very high	34 Å²	34	49.1 Å²	49.1	15%	0.149	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	166.7	-172.9	75.9	-82.9	0	0	0	112.8	C141 N142 A143 G160 T163 N167 G168	F137-C141 CarbonylContact O-C 3.52Å; F137-C141 VanDerWaalsContact O-CA 3.29Å; F137-C141 WeakPolarHBondContact O-CA 3.2Å; F137-C141 PolarHBondContact O-N 3.04Å; F137-N142 VanDerWaalsContact CD1-O 3.29Å; F137-N142 WeakPolarHBondContact CD1-O 3.32Å; F137-N142 HydrophobicContact CE1-CB 4.33Å; F137-N142 PolarHBondContact N-O 2.75Å; F137-N142 PolarHBondContact O-N 3.14Å; F137-A143 WeakPolarHBondContact CE1-O 3.36Å; F137-G160 WeakPolarHBondContact CB-O 3.45Å; F137-T163 CarbonylContact C-O 3.25Å; F137-T163 WeakPolarHBondContact CA-O 3.28Å; F137-N167 WeakPolarHBondContact CE2-O 3.35Å; F137-G168 VanDerWaalsContact CD2-N 3.32Å; F137-G168 VanDerWaalsContact CE2-N 3.31Å; F137-G168 VanDerWaalsContact CZ-CA 3.47Å
138	G	95	Very high	95.3	Very high	2 Å²	2	49.4 Å²	49.4	2%	0.021	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	178.4	173.4	0	0	0	0	0	114.1	C132 D140 C141 T163 R164 G165	C132-G138 PolarHBondContact SG-O 2.69Å; G138-D140 PolarHBondContact O-N 3.14Å; G138-D140 VanDerWaalsContact O-N 3.15Å; G138-C141 PolarHBondContact O-N 3.36Å; G138-T163 PolarHBondContact N-O 2.94Å; G138-T163 VanDerWaalsContact N-O 3.12Å; G138-R164 CarbonylContact C-O 3.53Å; G138-R164 WeakPolarHBondContact CA-O 3.48Å; G138-R164 WeakPolarHBondContact O-CA 3.34Å; G138-G165 PolarHBondContact N-O 2.97Å
139	P	93.4	Very high	95.2	Very high	87 Å²	87	56.5 Å²	56.5	57%	0.565	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.1	-169.8	23.2	-34.2	0	0	0	113.1	R164	P139-R164 WeakPolarHBondContact O-CD 3.02Å; P139-R164 PolarHBondContact O-NH1 3.4Å
140	D	94.7	Very high	95.1	Very high	124 Å²	124	55.6 Å²	55.6	66%	0.663	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	2.3	-179.3	-58.3	-56.2	0	0	0	113.6	G138	G138-D140 PolarHBondContact O-N 3.14Å; G138-D140 VanDerWaalsContact O-N 3.15Å
141	C	96.3	Very high	95.1	Very high	26 Å²	26	55.4 Å²	55.4	18%	0.176	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	54.4	-174.1	-52.3	0	0	0	0	112.4	C132 T136 F137 G138 R164	C132-C141 WeakPolarHBondContact CA-SG 2.97Å; C132-C141 HydrophobicContact CB-CB 3.67Å; C132-C141 WeakPolarHBondContact CB-SG 3.49Å; C132-C141 WeakPolarHBondContact SG-CA 3.5Å; C132-C141 WeakPolarHBondContact SG-CB 3.32Å; C132-C141 CovalentContact SG-SG 2.03Å; C132-C141 PolarHBondContact SG-SG 3.01Å; T136-C141 WeakPolarHBondContact CB-O 3.41Å; F137-C141 CarbonylContact O-C 3.52Å; F137-C141 VanDerWaalsContact O-CA 3.29Å; F137-C141 WeakPolarHBondContact O-CA 3.2Å; F137-C141 PolarHBondContact O-N 3.04Å; G138-C141 PolarHBondContact O-N 3.36Å; C141-R164 PolarHBondContact SG-NH1 3.27Å; C141-R164 VanDerWaalsContact SG-NH1 3.37Å
142	N	96.7	Very high	95	Very high	87 Å²	87	55.4 Å²	55.4	47%	0.465	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	146.9	174.8	-65.7	-56.5	0	0	0	110.3	T136 F137	T136-N142 CarbonylContact C-O 3.49Å; T136-N142 WeakPolarHBondContact CA-O 3.05Å; T136-N142 WeakPolarHBondContact CB-O 3.32Å; F137-N142 VanDerWaalsContact CD1-O 3.29Å; F137-N142 WeakPolarHBondContact CD1-O 3.32Å; F137-N142 HydrophobicContact CE1-CB 4.33Å; F137-N142 PolarHBondContact N-O 2.75Å; F137-N142 PolarHBondContact O-N 3.14Å
143	A	96.9	Very high	94.9	Very high	59 Å²	59	56.1 Å²	56.1	49%	0.488	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	138.3	177.3	0	0	0	0	0	111.6	F137	F137-A143 WeakPolarHBondContact CE1-O 3.36Å
144	C	96.6	Very high	94.8	Very high	6 Å²	6	55.2 Å²	55.2	4%	0.041	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-60.9	160	168.7	-72.7	0	0	0	0	111.2	G135 G146 G147 P151 C158	G135-C144 PolarHBondContact O-N 2.83Å; C144-G146 PolarHBondContact O-N 2.76Å; C144-G147 WeakPolarHBondContact O-CA 3.48Å; C144-G147 PolarHBondContact O-N 3.22Å; C144-P151 HydrophobicContact CB-CB 3.88Å; C144-P151 HydrophobicContact CB-CG 4.37Å; C144-C158 HydrophobicContact CB-CB 3.73Å; C144-C158 WeakPolarHBondContact CB-SG 3.22Å; C144-C158 WeakPolarHBondContact SG-CB 3.34Å; C144-C158 CovalentContact SG-SG 2.04Å; C144-C158 PolarHBondContact SG-SG 2.87Å
145	I	93.6	Very high	94.9	Very high	40 Å²	40	47.3 Å²	47.3	21%	0.205	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	139.3	167.6	-63.3	174.6	0	0	0	108.6	G147 P151 C152 E179 F180	I145-G147 PolarHBondContact O-N 2.82Å; I145-P151 CarbonylContact O-C 3.59Å; I145-P151 WeakPolarHBondContact O-CA 3.48Å; I145-C152 PolarHBondContact O-N 2.97Å; I145-E179 HydrophobicContact CD1-CG 4.37Å; I145-F180 HydrophobicContact CG2-CD1 3.42Å; I145-F180 VanDerWaalsContact CG2-CD1 3.42Å; I145-F180 HydrophobicContact CG2-CE1 3.93Å; I145-F180 HydrophobicContact CG2-CG 4.4Å
146	G	90.4	Very high	94.8	Very high	33 Å²	33	48 Å²	48	34%	0.34	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	-4.1	-172.7	0	0	0	0	0	115.2	C144 R150	C144-G146 PolarHBondContact O-N 2.76Å; G146-R150 CarbonylContact C-O 3.59Å
147	G	92.6	Very high	94.8	Very high	29 Å²	29	51.9 Å²	51.9	30%	0.299	31%	0.313	S	S	.	.			trans	90.9	176.5	178.1	0	0	0	0	0	113.6	C144 I145 R150	C144-G147 WeakPolarHBondContact O-CA 3.48Å; C144-G147 PolarHBondContact O-N 3.22Å; I145-G147 PolarHBondContact O-N 2.82Å; G147-R150 CarbonylContact O-C 3.36Å
148	S	93.5	Very high	94.8	Very high	62 Å²	62	50.4 Å²	50.4	43%	0.434	31%	0.308	S	S	.	.	S	Bend	trans	-78.6	-21.7	-175.6	56	0	0	0	0	114.4	G135	G135-S148 WeakPolarHBondContact CA-O 3.42Å; G135-S148 WeakPolarHBondContact O-CA 3.21Å
149	E	93.1	Very high	94.9	Very high	182 Å²	182	52.8 Å²	52.8	85%	0.85	32%	0.32	S	S	*	.	S	Bend	trans	-82.8	-34	178.1	-63.8	-171.9	169.3	0	0	112.1
150	R	93.3	Very high	94.9	Very high	112 Å²	112	48.8 Å²	48.8	42%	0.423	30%	0.295	S	S	.	.	S	Bend	trans	-135.9	71.1	-178.7	-66.1	-178	60.2	164.9	3.5	110.9	G146 G147 C152 H153	G146-R150 CarbonylContact C-O 3.59Å; G147-R150 CarbonylContact O-C 3.36Å; R150-C152 PolarHBondContact O-N 2.99Å; R150-H153 PolarHBondContact NE-O 3.43Å; R150-H153 PolarHBondContact NH2-O 2.03Å; R150-H153 WeakPolarHBondContact O-CA 3.22Å; R150-H153 PolarHBondContact O-N 3.13Å
151	P	95.1	Very high	95	Very high	23 Å²	23	45.9 Å²	45.9	15%	0.149	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-51.9	138.9	174.5	-26.3	36.9	0	0	0	111	G135 C144 I145 H153 G154 C158	G135-P151 VanDerWaalsContact CA-CG 3.5Å; C144-P151 HydrophobicContact CB-CB 3.88Å; C144-P151 HydrophobicContact CB-CG 4.37Å; I145-P151 CarbonylContact O-C 3.59Å; I145-P151 WeakPolarHBondContact O-CA 3.48Å; P151-H153 PolarHBondContact O-N 3.21Å; P151-G154 PolarHBondContact O-N 2.87Å; P151-C158 HydrophobicContact CB-CB 3.96Å
152	C	95.7	Very high	95	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	54	35	-176.5	-53.6	0	0	0	0	113.2	I145 R150 G154 N155 V157 C170	I145-C152 PolarHBondContact O-N 2.97Å; R150-C152 PolarHBondContact O-N 2.99Å; C152-G154 PolarHBondContact O-N 3.3Å; C152-N155 PolarHBondContact O-N 2.02Å; C152-V157 VanDerWaalsContact SG-C 3.54Å; C152-C170 WeakPolarHBondContact CA-SG 3.39Å; C152-C170 HydrophobicContact CB-CB 3.69Å; C152-C170 WeakPolarHBondContact CB-SG 3.11Å; C152-C170 WeakPolarHBondContact SG-CA 3.41Å; C152-C170 WeakPolarHBondContact SG-CB 3.31Å; C152-C170 CovalentContact SG-SG 2.03Å; C152-C170 PolarHBondContact SG-SG 3.36Å
153	H	94.6	Very high	94.9	Very high	18 Å²	18	41.8 Å²	41.8	8%	0.083	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	58.7	12.6	-175.1	-63.8	-88.6	0	0	0	114.3	R150 P151 F180 L182 T196	R150-H153 PolarHBondContact NE-O 3.43Å; R150-H153 PolarHBondContact NH2-O 2.03Å; R150-H153 WeakPolarHBondContact O-CA 3.22Å; R150-H153 PolarHBondContact O-N 3.13Å; P151-H153 PolarHBondContact O-N 3.21Å; H153-F180 PolarHBondContact CD2-O 3.4Å; H153-F180 AromaticContact NE2-CD1 3.85Å; H153-L182 HydrophobicContact CB-CD2 3.75Å; H153-L182 HydrophobicContact CB-CG 4.39Å; H153-T196 WeakPolarHBondContact ND1-CA 3.49Å; H153-T196 PolarHBondContact ND1-O 3.12Å
154	G	94.9	Very high	94.8	Very high	42 Å²	42	41.2 Å²	41.2	43%	0.433	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	83.4	8.1	-173.5	0	0	0	0	0	114.7	P151 C152	P151-G154 PolarHBondContact O-N 2.87Å; C152-G154 PolarHBondContact O-N 3.3Å
155	N	96.3	Very high	94.6	Very high	13 Å²	13	41.1 Å²	41.1	7%	0.07	24%	0.244	C	C	.	.	S	Bend	trans	-115.6	28.2	-176.6	-64.5	-21.9	0	0	0	111.9	C152 C172 D173 Y176 C181 S198	C152-N155 PolarHBondContact O-N 2.02Å; N155-C172 WeakPolarHBondContact O-CA 3.49Å; N155-D173 WeakPolarHBondContact CA-OD2 3.35Å; N155-D173 PolarHBondContact O-N 3.3Å; N155-Y176 HydrophobicContact CB-CD1 3.94Å; N155-Y176 HydrophobicContact CB-CD2 3.82Å; N155-Y176 HydrophobicContact CB-CE1 4.14Å; N155-Y176 HydrophobicContact CB-CE2 4.02Å; N155-Y176 HydrophobicContact CB-CG 3.78Å; N155-Y176 VanDerWaalsContact ND2-CE1 3.27Å; N155-Y176 WeakPolarHBondContact ND2-CE1 3.38Å; N155-C181 HydrophobicContact CB-CB 3.93Å; N155-C181 VanDerWaalsContact CB-O 3.26Å; N155-C181 WeakPolarHBondContact CB-O 3.38Å; N155-C181 PolarHBondContact ND2-O 2.01Å; N155-C181 WeakPolarHBondContact O-CB 3.38Å; N155-S198 PolarHBondContact ND2-O 3.18Å; N155-S198 PolarHBondContact ND2-OG 3.42Å
156	G	95.7	Very high	94.5	Very high	15 Å²	15	40.5 Å²	40.5	16%	0.155	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.3	-175.7	179.4	0	0	0	0	0	113.9	S171 D173	G156-S171 CarbonylContact C-O 3.56Å; G156-S171 WeakPolarHBondContact CA-O 3.24Å; G156-D173 PolarHBondContact N-OD2 2.97Å
157	V	96.4	Very high	94.7	Very high	95 Å²	95	43.7 Å²	43.7	58%	0.576	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.5	-176.5	-176.9	0	0	0	0	110.6	C152 C170 S171	C152-V157 VanDerWaalsContact SG-C 3.54Å; V157-C170 WeakPolarHBondContact O-CA 3.4Å; V157-S171 PolarHBondContact N-O 3.45Å; V157-S171 PolarHBondContact O-N 2.89Å
158	C	96.4	Very high	94.7	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.027	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127.2	177.5	176.1	0	0	0	0	111.3	C144 P151 G160 D161	C144-C158 HydrophobicContact CB-CB 3.73Å; C144-C158 WeakPolarHBondContact CB-SG 3.22Å; C144-C158 WeakPolarHBondContact SG-CB 3.34Å; C144-C158 CovalentContact SG-SG 2.04Å; C144-C158 PolarHBondContact SG-SG 2.87Å; P151-C158 HydrophobicContact CB-CB 3.96Å; C158-G160 PolarHBondContact O-N 3.4Å; C158-D161 HydrophobicContact CB-CB 4.2Å; C158-D161 WeakPolarHBondContact O-CB 3.32Å; C158-D161 PolarHBondContact O-N 3.24Å
159	D	95.6	Very high	94.8	Very high	51 Å²	51	46.5 Å²	46.5	27%	0.273	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	116.2	176	176.6	54.5	0	0	0	111.7	K32 G166 N167 G168 K169	K32-D159 IonicContact NZ-OD1 3.62Å; K32-D159 PolarHBondContact NZ-OD1 3.3Å; K32-D159 VanDerWaalsContact NZ-OD1 3.14Å; D159-G166 WeakPolarHBondContact OD2-CA 3.44Å; D159-N167 PolarHBondContact O-N 2.79Å; D159-N167 PolarHBondContact OD2-N 3.13Å; D159-N167 PolarHBondContact OD2-OD1 2.9Å; D159-G168 WeakPolarHBondContact O-CA 3.46Å; D159-G168 PolarHBondContact O-N 3.2Å; D159-K169 PolarHBondContact N-O 2.98Å
160	G	94.6	Very high	95	Very high	4 Å²	4	39 Å²	39	4%	0.041	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	92	11.2	-179.5	0	0	0	0	0	114.1	F137 C158 G162 T163	F137-G160 WeakPolarHBondContact CB-O 3.45Å; C158-G160 PolarHBondContact O-N 3.4Å; G160-G162 PolarHBondContact O-N 3.49Å; G160-T163 VanDerWaalsContact CA-OG1 3.29Å; G160-T163 WeakPolarHBondContact CA-OG1 3.41Å; G160-T163 WeakPolarHBondContact O-CA 3.3Å; G160-T163 WeakPolarHBondContact O-CB 3.37Å; G160-T163 PolarHBondContact O-N 3.46Å; G160-T163 PolarHBondContact O-OG1 3.31Å
161	D	96.4	Very high	95.2	Very high	63 Å²	63	37.8 Å²	37.8	34%	0.337	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	122.3	176.4	-174.1	14	0	0	0	112.5	G135 C158 T163	G135-D161 WeakPolarHBondContact CA-OD1 3.37Å; G135-D161 PolarHBondContact N-OD1 3.44Å; C158-D161 HydrophobicContact CB-CB 4.2Å; C158-D161 WeakPolarHBondContact O-CB 3.32Å; C158-D161 PolarHBondContact O-N 3.24Å; D161-T163 PolarHBondContact O-N 3.11Å
162	G	95.6	Very high	95.3	Very high	11 Å²	11	38.5 Å²	38.5	11%	0.113	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	3.6	-178.7	0	0	0	0	0	114.3	C35 C132 T136 G160	C35-G162 PolarHBondContact SG-O 3.26Å; C132-G162 PolarHBondContact N-O 3.24Å; C132-G162 CarbonylContact O-C 3.56Å; C132-G162 WeakPolarHBondContact O-CA 3.21Å; C132-G162 VanDerWaalsContact O-O 3.09Å; T136-G162 PolarHBondContact O-N 2.78Å; G160-G162 PolarHBondContact O-N 3.49Å
163	T	95.8	Very high	95.4	Very high	16 Å²	16	42 Å²	42	10%	0.098	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-116.2	155.1	-175.8	79.1	0	0	0	0	112.1	K32 C35 C132 F137 G138 G160 D161 G165	K32-T163 HydrophobicContact CG-CG2 4.32Å; C35-T163 HydrophobicContact CB-CG2 4.22Å; C132-T163 PolarHBondContact SG-O 3.34Å; F137-T163 CarbonylContact C-O 3.25Å; F137-T163 WeakPolarHBondContact CA-O 3.28Å; G138-T163 PolarHBondContact N-O 2.94Å; G138-T163 VanDerWaalsContact N-O 3.12Å; G160-T163 VanDerWaalsContact CA-OG1 3.29Å; G160-T163 WeakPolarHBondContact CA-OG1 3.41Å; G160-T163 WeakPolarHBondContact O-CA 3.3Å; G160-T163 WeakPolarHBondContact O-CB 3.37Å; G160-T163 PolarHBondContact O-N 3.46Å; G160-T163 PolarHBondContact O-OG1 3.31Å; D161-T163 PolarHBondContact O-N 3.11Å; T163-G165 PolarHBondContact O-N 3.32Å; T163-G165 PolarHBondContact OG1-N 3.45Å; T163-G165 PolarHBondContact OG1-O 2.95Å
164	R	94.7	Very high	95.5	Very high	47 Å²	47	48.5 Å²	48.5	18%	0.177	28%	0.284	C	S	.	.	S	Bend	trans	-72.6	-2.9	169.8	-68	-83.4	-174.9	-162.6	-15.7	113.3	L31 K129 V130 G138 P139 C141	L31-R164 HydrophobicContact CB-CB 4.42Å; K129-R164 WeakPolarHBondContact O-CG 3.48Å; K129-R164 PolarHBondContact O-NE 3.08Å; V130-R164 WeakPolarHBondContact O-CG 3.36Å; G138-R164 CarbonylContact C-O 3.53Å; G138-R164 WeakPolarHBondContact CA-O 3.48Å; G138-R164 WeakPolarHBondContact O-CA 3.34Å; P139-R164 WeakPolarHBondContact O-CD 3.02Å; P139-R164 PolarHBondContact O-NH1 3.4Å; C141-R164 PolarHBondContact SG-NH1 3.27Å; C141-R164 VanDerWaalsContact SG-NH1 3.37Å
165	G	91.6	Very high	95.5	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.031	27%	0.269	C	S	.	.			trans	-105.1	-168.9	177.4	0	0	0	0	0	112.6	G138 T163	G138-G165 PolarHBondContact N-O 2.97Å; T163-G165 PolarHBondContact O-N 3.32Å; T163-G165 PolarHBondContact OG1-N 3.45Å; T163-G165 PolarHBondContact OG1-O 2.95Å
166	G	92.3	Very high	95.6	Very high	28 Å²	28	48 Å²	48	29%	0.289	27%	0.271	S	S	.	.	S	Bend	trans	82.3	173.9	178.1	0	0	0	0	0	114.9	D159	D159-G166 WeakPolarHBondContact OD2-CA 3.44Å
167	N	93.5	Very high	95.6	Very high	99 Å²	99	51.4 Å²	51.4	53%	0.529	28%	0.281	S	S	.	.			trans	-117.7	-3.1	-177.8	66.1	34.4	0	0	0	113.9	F137 D159 K169	F137-N167 WeakPolarHBondContact CE2-O 3.35Å; D159-N167 PolarHBondContact O-N 2.79Å; D159-N167 PolarHBondContact OD2-N 3.13Å; D159-N167 PolarHBondContact OD2-OD1 2.9Å; N167-K169 PolarHBondContact O-N 3.41Å; N167-K169 VanDerWaalsContact OD1-CB 3.23Å; N167-K169 WeakPolarHBondContact OD1-CB 3.27Å; N167-K169 PolarHBondContact OD1-N 2.84Å
168	G	93.8	Very high	95.5	Very high	3 Å²	3	48.9 Å²	48.9	3%	0.031	27%	0.274	C	S	.	.			trans	75.3	4.7	176.8	0	0	0	0	0	115.5	F137 D159	F137-G168 VanDerWaalsContact CD2-N 3.32Å; F137-G168 VanDerWaalsContact CE2-N 3.31Å; F137-G168 VanDerWaalsContact CZ-CA 3.47Å; D159-G168 WeakPolarHBondContact O-CA 3.46Å; D159-G168 PolarHBondContact O-N 3.2Å
169	K	95.9	Very high	95.3	Very high	148 Å²	148	55.2 Å²	55.2	64%	0.643	30%	0.303	S	S	*	.			trans	-66.7	147.3	172.5	-84.6	-171	166	-171.7	0	110.7	D159 N167	D159-K169 PolarHBondContact N-O 2.98Å; N167-K169 PolarHBondContact O-N 3.41Å; N167-K169 VanDerWaalsContact OD1-CB 3.23Å; N167-K169 WeakPolarHBondContact OD1-CB 3.27Å; N167-K169 PolarHBondContact OD1-N 2.84Å
170	C	96.9	Very high	95.2	Very high	25 Å²	25	57.6 Å²	57.6	17%	0.169	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.6	174.7	-68.8	0	0	0	0	111.8	C152 V157 C181	C152-C170 WeakPolarHBondContact CA-SG 3.39Å; C152-C170 HydrophobicContact CB-CB 3.69Å; C152-C170 WeakPolarHBondContact CB-SG 3.11Å; C152-C170 WeakPolarHBondContact SG-CA 3.41Å; C152-C170 WeakPolarHBondContact SG-CB 3.31Å; C152-C170 CovalentContact SG-SG 2.03Å; C152-C170 PolarHBondContact SG-SG 3.36Å; V157-C170 WeakPolarHBondContact O-CA 3.4Å; C170-C181 VanDerWaalsContact CB-SG 3.53Å
171	S	97.4	Very high	95.3	Very high	86 Å²	86	57.4 Å²	57.4	60%	0.601	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	106.4	160.1	-175.8	0	0	0	0	107.1	G156 V157	G156-S171 CarbonylContact C-O 3.56Å; G156-S171 WeakPolarHBondContact CA-O 3.24Å; V157-S171 PolarHBondContact N-O 3.45Å; V157-S171 PolarHBondContact O-N 2.89Å
172	C	97.8	Very high	95.2	Very high	37 Å²	37	55 Å²	55	25%	0.25	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	152.1	-174	-54.3	0	0	0	0	112.7	N155 Y176 G178 C181	N155-C172 WeakPolarHBondContact O-CA 3.49Å; C172-Y176 WeakPolarHBondContact CB-O 3.41Å; C172-G178 PolarHBondContact SG-O 3.1Å; C172-G178 VanDerWaalsContact SG-O 3.36Å; C172-C181 WeakPolarHBondContact CA-SG 3.4Å; C172-C181 HydrophobicContact CB-CB 3.73Å; C172-C181 WeakPolarHBondContact CB-SG 3.31Å; C172-C181 WeakPolarHBondContact SG-CA 3.38Å; C172-C181 WeakPolarHBondContact SG-CB 3.31Å; C172-C181 CovalentContact SG-SG 2.04Å; C172-C181 PolarHBondContact SG-SG 2.71Å
173	D	97.1	Very high	95.2	Very high	74 Å²	74	57.4 Å²	57.4	40%	0.396	31%	0.307	S	S	.	.			trans	-67.1	159.7	169.6	-62.9	-33.1	0	0	0	110.4	N155 G156 A175 Y176	N155-D173 WeakPolarHBondContact CA-OD2 3.35Å; N155-D173 PolarHBondContact O-N 3.3Å; G156-D173 PolarHBondContact N-OD2 2.97Å; D173-A175 PolarHBondContact O-N 3.45Å; D173-Y176 HydrophobicContact CB-CD2 4.09Å; D173-Y176 PolarHBondContact O-N 2.93Å
174	H	96.2	Very high	95.2	Very high	155 Å²	155	57.2 Å²	57.2	72%	0.718	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-37.5	-168.6	-179.9	-92.5	0	0	0	114.8	Y176 V185	H174-Y176 VanDerWaalsContact C-N 3.27Å; H174-Y176 PolarHBondContact O-N 3.04Å; H174-V185 VanDerWaalsContact O-CG2 3.31Å; H174-V185 WeakPolarHBondContact O-CG2 3.12Å
175	A	96.6	Very high	95.2	Very high	14 Å²	14	56.6 Å²	56.6	12%	0.116	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-8.4	-179.1	0	0	0	0	0	114.1	D173 C184 V185 Y188 C200	D173-A175 PolarHBondContact O-N 3.45Å; A175-C184 WeakPolarHBondContact O-CA 3.37Å; A175-V185 PolarHBondContact O-N 3.44Å; A175-Y188 HydrophobicContact CB-CD1 3.59Å; A175-Y188 HydrophobicContact CB-CE1 3.54Å; A175-Y188 HydrophobicContact CB-CG 4.13Å; A175-C200 HydrophobicContact CB-CB 3.98Å
176	Y	97.4	Very high	95.3	Very high	30 Å²	30	61.9 Å²	61.9	12%	0.118	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	148.7	-169.1	-58.7	-89.7	0	0	0	112.6	N155 C172 D173 H174 C181 D183 S198 C200	N155-Y176 HydrophobicContact CB-CD1 3.94Å; N155-Y176 HydrophobicContact CB-CD2 3.82Å; N155-Y176 HydrophobicContact CB-CE1 4.14Å; N155-Y176 HydrophobicContact CB-CE2 4.02Å; N155-Y176 HydrophobicContact CB-CG 3.78Å; N155-Y176 VanDerWaalsContact ND2-CE1 3.27Å; N155-Y176 WeakPolarHBondContact ND2-CE1 3.38Å; C172-Y176 WeakPolarHBondContact CB-O 3.41Å; D173-Y176 HydrophobicContact CB-CD2 4.09Å; D173-Y176 PolarHBondContact O-N 2.93Å; H174-Y176 VanDerWaalsContact C-N 3.27Å; H174-Y176 PolarHBondContact O-N 3.04Å; Y176-C181 WeakPolarHBondContact CD1-O 3.21Å; Y176-D183 CarbonylContact C-O 3.53Å; Y176-D183 WeakPolarHBondContact CA-O 3.06Å; Y176-S198 VanDerWaalsContact CE1-OG 3.31Å; Y176-S198 WeakPolarHBondContact CE1-OG 3.42Å; Y176-S198 PolarHBondContact OH-O 3.19Å; Y176-C200 HydrophobicContact CD1-CB 4.14Å; Y176-C200 WeakPolarHBondContact CD1-SG 3.39Å; Y176-C200 HydrophobicContact CE1-CB 3.64Å; Y176-C200 WeakPolarHBondContact CE1-SG 3.3Å; Y176-C200 HydrophobicContact CE2-CB 4.41Å; Y176-C200 PolarHBondContact OH-N 2.93Å; Y176-C200 VanDerWaalsContact OH-N 3.13Å
177	K	96.3	Very high	95.4	Very high	87 Å²	87	61.2 Å²	61.2	38%	0.378	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	177.8	174.8	68	-176.1	-177.7	-145.6	0	111.3	C181 D183 C184 V185 D186	K177-C181 WeakPolarHBondContact O-CA 3.5Å; K177-D183 HydrophobicContact CG-CB 3.94Å; K177-D183 PolarHBondContact N-O 2.03Å; K177-D183 PolarHBondContact O-N 3.24Å; K177-C184 WeakPolarHBondContact CD-O 3.07Å; K177-C184 WeakPolarHBondContact CE-O 3.45Å; K177-C184 PolarHBondContact NZ-O 2.94Å; K177-C184 VanDerWaalsContact NZ-O 3.13Å; K177-V185 HydrophobicContact CB-CG1 3.91Å; K177-V185 HydrophobicContact CD-CG1 4.26Å; K177-V185 HydrophobicContact CG-CG1 4.27Å; K177-D186 IonicContact NZ-OD1 2.71Å; K177-D186 PolarHBondContact NZ-OD1 3.22Å
178	G	94.2	Very high	95.5	Very high	41 Å²	41	59.1 Å²	59.1	42%	0.423	31%	0.313	S	S	.	.	S	Bend	trans	90.2	174.1	-179.5	0	0	0	0	0	113	C172 F180 C181	C172-G178 PolarHBondContact SG-O 3.1Å; C172-G178 VanDerWaalsContact SG-O 3.36Å; G178-F180 VanDerWaalsContact C-N 3.28Å; G178-F180 PolarHBondContact O-N 3.48Å; G178-C181 PolarHBondContact O-N 2.8Å
179	E	91.7	Very high	95.6	Very high	137 Å²	137	59.9 Å²	59.9	64%	0.64	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-32.6	-177.3	-175.3	176	179.4	0	0	112.6	I145	I145-E179 HydrophobicContact CD1-CG 4.37Å
180	F	93.1	Very high	95.6	Very high	101 Å²	101	55.5 Å²	55.5	44%	0.443	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-2.9	-176.9	-59.8	-79.1	0	0	0	113.6	I145 H153 G178 L182	I145-F180 HydrophobicContact CG2-CD1 3.42Å; I145-F180 VanDerWaalsContact CG2-CD1 3.42Å; I145-F180 HydrophobicContact CG2-CE1 3.93Å; I145-F180 HydrophobicContact CG2-CG 4.4Å; H153-F180 PolarHBondContact CD2-O 3.4Å; H153-F180 AromaticContact NE2-CD1 3.85Å; G178-F180 VanDerWaalsContact C-N 3.28Å; G178-F180 PolarHBondContact O-N 3.48Å; F180-L182 HydrophobicContact CB-CB 4.38Å; F180-L182 HydrophobicContact CB-CD1 3.91Å; F180-L182 HydrophobicContact CB-CG 3.94Å; F180-L182 PolarHBondContact O-N 3Å
181	C	96.4	Very high	95.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	53.8	37.5	-171	-50.9	0	0	0	0	113.4	N155 C170 C172 Y176 K177 G178	N155-C181 HydrophobicContact CB-CB 3.93Å; N155-C181 VanDerWaalsContact CB-O 3.26Å; N155-C181 WeakPolarHBondContact CB-O 3.38Å; N155-C181 PolarHBondContact ND2-O 2.01Å; N155-C181 WeakPolarHBondContact O-CB 3.38Å; C170-C181 VanDerWaalsContact CB-SG 3.53Å; C172-C181 WeakPolarHBondContact CA-SG 3.4Å; C172-C181 HydrophobicContact CB-CB 3.73Å; C172-C181 WeakPolarHBondContact CB-SG 3.31Å; C172-C181 WeakPolarHBondContact SG-CA 3.38Å; C172-C181 WeakPolarHBondContact SG-CB 3.31Å; C172-C181 CovalentContact SG-SG 2.04Å; C172-C181 PolarHBondContact SG-SG 2.71Å; Y176-C181 WeakPolarHBondContact CD1-O 3.21Å; K177-C181 WeakPolarHBondContact O-CA 3.5Å; G178-C181 PolarHBondContact O-N 2.8Å
182	L	95.3	Very high	95.3	Very high	13 Å²	13	58.7 Å²	58.7	7%	0.068	31%	0.307	C	S	.	.			trans	-106.9	-11.8	178.5	-69.2	176.5	0	0	0	113.1	H153 F180 R193 D195 S198	H153-L182 HydrophobicContact CB-CD2 3.75Å; H153-L182 HydrophobicContact CB-CG 4.39Å; F180-L182 HydrophobicContact CB-CB 4.38Å; F180-L182 HydrophobicContact CB-CD1 3.91Å; F180-L182 HydrophobicContact CB-CG 3.94Å; F180-L182 PolarHBondContact O-N 3Å; L182-R193 PolarHBondContact O-NH1 2.93Å; L182-D195 WeakPolarHBondContact CD1-O 3.5Å; L182-S198 VanDerWaalsContact CA-OG 3.32Å; L182-S198 WeakPolarHBondContact CA-OG 3.31Å; L182-S198 VanDerWaalsContact O-CB 3.24Å; L182-S198 WeakPolarHBondContact O-CB 3.46Å; L182-S198 PolarHBondContact O-OG 2.97Å
183	D	95.1	Very high	95	Very high	62 Å²	62	63 Å²	63	33%	0.332	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	145.9	179.3	-56.5	-44.8	0	0	0	109.8	Y176 K177 R193	Y176-D183 CarbonylContact C-O 3.53Å; Y176-D183 WeakPolarHBondContact CA-O 3.06Å; K177-D183 HydrophobicContact CG-CB 3.94Å; K177-D183 PolarHBondContact N-O 2.03Å; K177-D183 PolarHBondContact O-N 3.24Å; D183-R193 IonicContact OD1-CZ 3.2Å; D183-R193 IonicContact OD1-NH1 2.74Å; D183-R193 PolarHBondContact OD1-NH1 3.45Å; D183-R193 IonicContact OD1-NH2 2.72Å; D183-R193 PolarHBondContact OD1-NH2 3.03Å
184	C	95.8	Very high	94.7	Very high	12 Å²	12	63.1 Å²	63.1	8%	0.081	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	145.3	177.1	-55.2	0	0	0	0	110.7	A175 K177 Y188 F189 N190 C200	A175-C184 WeakPolarHBondContact O-CA 3.37Å; K177-C184 WeakPolarHBondContact CD-O 3.07Å; K177-C184 WeakPolarHBondContact CE-O 3.45Å; K177-C184 PolarHBondContact NZ-O 2.94Å; K177-C184 VanDerWaalsContact NZ-O 3.13Å; C184-Y188 WeakPolarHBondContact CB-O 3.47Å; C184-F189 VanDerWaalsContact SG-C 3.5Å; C184-N190 PolarHBondContact SG-ND2 3.16Å; C184-C200 WeakPolarHBondContact CA-SG 3.48Å; C184-C200 HydrophobicContact CB-CB 3.89Å; C184-C200 WeakPolarHBondContact CB-SG 3.36Å; C184-C200 WeakPolarHBondContact SG-CA 3.47Å; C184-C200 WeakPolarHBondContact SG-CB 3.36Å; C184-C200 CovalentContact SG-SG 2.03Å; C184-C200 PolarHBondContact SG-SG 3.23Å
185	V	95.6	Very high	94.3	Very high	34 Å²	34	63 Å²	63	21%	0.206	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-69.6	166.5	167.6	-60	0	0	0	0	110.8	H174 A175 K177 Y188	H174-V185 VanDerWaalsContact O-CG2 3.31Å; H174-V185 WeakPolarHBondContact O-CG2 3.12Å; A175-V185 PolarHBondContact O-N 3.44Å; K177-V185 HydrophobicContact CB-CG1 3.91Å; K177-V185 HydrophobicContact CD-CG1 4.26Å; K177-V185 HydrophobicContact CG-CG1 4.27Å; V185-Y188 HydrophobicContact CG2-CD2 3.48Å; V185-Y188 VanDerWaalsContact CG2-CD2 3.48Å; V185-Y188 HydrophobicContact CG2-CE2 3.96Å; V185-Y188 HydrophobicContact CG2-CG 4.26Å; V185-Y188 PolarHBondContact O-N 3.17Å; V185-Y188 VanDerWaalsContact O-N 3.13Å
186	D	92.8	Very high	93.9	Very high	113 Å²	113	66.4 Å²	66.4	60%	0.604	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	142.2	177	-54.2	-6.3	0	0	0	108.8	K177 Y188 T209	K177-D186 IonicContact NZ-OD1 2.71Å; K177-D186 PolarHBondContact NZ-OD1 3.22Å; D186-Y188 VanDerWaalsContact C-N 3.35Å; D186-T209 HydrophobicContact CB-CG2 4.35Å
187	G	93.8	Very high	93.7	Very high	15 Å²	15	68 Å²	68	16%	0.155	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	2	-167.1	0	0	0	0	0	115.1	C203 K208	G187-C203 WeakPolarHBondContact O-CB 3.38Å; G187-C203 PolarHBondContact O-N 2.84Å; G187-C203 PolarHBondContact O-SG 2.51Å; G187-C203 VanDerWaalsContact O-SG 3.4Å; G187-K208 PolarHBondContact N-O 2.6Å; G187-K208 VanDerWaalsContact N-O 3.13Å
188	Y	96.9	Very high	93.6	Very high	54 Å²	54	63.8 Å²	63.8	21%	0.212	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146	172.8	-67.6	-107.1	0	0	0	110.7	A175 C184 V185 D186 C200 T201 E202	A175-Y188 HydrophobicContact CB-CD1 3.59Å; A175-Y188 HydrophobicContact CB-CE1 3.54Å; A175-Y188 HydrophobicContact CB-CG 4.13Å; C184-Y188 WeakPolarHBondContact CB-O 3.47Å; V185-Y188 HydrophobicContact CG2-CD2 3.48Å; V185-Y188 VanDerWaalsContact CG2-CD2 3.48Å; V185-Y188 HydrophobicContact CG2-CE2 3.96Å; V185-Y188 HydrophobicContact CG2-CG 4.26Å; V185-Y188 PolarHBondContact O-N 3.17Å; V185-Y188 VanDerWaalsContact O-N 3.13Å; D186-Y188 VanDerWaalsContact C-N 3.35Å; Y188-C200 HydrophobicContact CD1-CB 4.38Å; Y188-T201 CarbonylContact C-O 3.53Å; Y188-T201 WeakPolarHBondContact CA-O 3.36Å; Y188-T201 WeakPolarHBondContact CB-O 3.42Å; Y188-E202 HydrophobicContact CD1-CB 4.23Å; Y188-E202 HydrophobicContact CE1-CB 4.03Å; Y188-E202 HydrophobicContact CE1-CG 4.44Å
189	F	96	Very high	93.7	Very high	19 Å²	19	64.9 Å²	64.9	8%	0.083	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	157.7	174.2	73.5	-78.2	0	0	0	111.9	C184 E191 C200 T201 C210 T211 G212 A213	C184-F189 VanDerWaalsContact SG-C 3.5Å; F189-E191 HydrophobicContact CE2-CB 3.93Å; F189-E191 HydrophobicContact CE2-CG 4.37Å; F189-E191 HydrophobicContact CZ-CB 4.4Å; F189-E191 PolarHBondContact O-N 3.4Å; F189-C200 WeakPolarHBondContact O-CA 3.49Å; F189-T201 VanDerWaalsContact CD1-O 3.28Å; F189-T201 WeakPolarHBondContact CD1-O 2.93Å; F189-T201 HydrophobicContact CE1-CG2 3.84Å; F189-T201 HydrophobicContact CZ-CG2 4.07Å; F189-T201 PolarHBondContact N-O 3Å; F189-T201 PolarHBondContact O-N 3.36Å; F189-C210 VanDerWaalsContact CB-O 3.31Å; F189-C210 WeakPolarHBondContact CB-O 3.06Å; F189-C210 WeakPolarHBondContact CD1-SG 3.37Å; F189-T211 WeakPolarHBondContact CD2-O 3.17Å; F189-G212 WeakPolarHBondContact CD1-O 3.31Å; F189-G212 VanDerWaalsContact CE1-C 3.42Å; F189-G212 WeakPolarHBondContact CE1-O 3.07Å; F189-A213 HydrophobicContact CE1-CB 3.92Å; F189-A213 HydrophobicContact CZ-CB 3.85Å
190	N	94.7	Very high	93.9	Very high	56 Å²	56	59 Å²	59	30%	0.299	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	102.2	176	-83.7	-85	0	0	0	109.9	C184 R193 S198	C184-N190 PolarHBondContact SG-ND2 3.16Å; N190-R193 HydrophobicContact CB-CB 4.33Å; N190-S198 WeakPolarHBondContact OD1-CB 3.36Å
191	E	94.5	Very high	94.1	Very high	111 Å²	111	56 Å²	56	52%	0.519	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	-39.7	173.9	-172.2	178.9	158.3	0	0	111.1	F189 L199 T201	F189-E191 HydrophobicContact CE2-CB 3.93Å; F189-E191 HydrophobicContact CE2-CG 4.37Å; F189-E191 HydrophobicContact CZ-CB 4.4Å; F189-E191 PolarHBondContact O-N 3.4Å; E191-L199 HydrophobicContact CB-CD2 4.47Å; E191-L199 PolarHBondContact N-O 2.92Å; E191-T201 PolarHBondContact OE2-OG1 3.2Å
192	V	93.8	Very high	94.1	Very high	67 Å²	67	62.1 Å²	62.1	41%	0.406	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	129.8	176	-177.5	0	0	0	0	108.9	F197 S198 L199	V192-F197 HydrophobicContact CB-CE1 4.24Å; V192-F197 HydrophobicContact CG1-CD1 4.14Å; V192-F197 HydrophobicContact CG1-CE1 4.04Å; V192-S198 CarbonylContact O-C 3.59Å; V192-S198 VanDerWaalsContact O-CA 3.3Å; V192-S198 WeakPolarHBondContact O-CA 3.24Å; V192-L199 HydrophobicContact CB-CB 4.19Å; V192-L199 PolarHBondContact O-N 3.41Å
193	R	92.4	Very high	94.2	Very high	129 Å²	129	62 Å²	62	49%	0.487	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	133.2	176.1	-172.3	177.3	178.4	129	-4.2	112.7	L182 D183 N190 F197	L182-R193 PolarHBondContact O-NH1 2.93Å; D183-R193 IonicContact OD1-CZ 3.2Å; D183-R193 IonicContact OD1-NH1 2.74Å; D183-R193 PolarHBondContact OD1-NH1 3.45Å; D183-R193 IonicContact OD1-NH2 2.72Å; D183-R193 PolarHBondContact OD1-NH2 3.03Å; N190-R193 HydrophobicContact CB-CB 4.33Å; R193-F197 CarbonylContact C-O 3.47Å; R193-F197 WeakPolarHBondContact CA-O 3.41Å
194	N	91.1	Very high	94.3	Very high	75 Å²	75	61.2 Å²	61.2	40%	0.401	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	-178.3	163.1	70.3	49.7	0	0	0	110	T196 F197	N194-T196 PolarHBondContact O-N 3.29Å; N194-T196 WeakPolarHBondContact OD1-CA 3.19Å; N194-T196 PolarHBondContact OD1-N 2.96Å; N194-T196 PolarHBondContact OD1-OG1 3.03Å; N194-F197 PolarHBondContact N-O 3.36Å; N194-F197 PolarHBondContact O-N 3.4Å; N194-F197 WeakPolarHBondContact OD1-CB 3.43Å; N194-F197 PolarHBondContact OD1-N 3.06Å
195	D	86.6	Confident	94.3	Very high	153 Å²	153	64.8 Å²	64.8	82%	0.818	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.4	-175.9	-60.5	-24.6	0	0	0	114.6	L182	L182-D195 WeakPolarHBondContact CD1-O 3.5Å
196	T	89.1	Confident	94.3	Very high	85 Å²	85	63.1 Å²	63.1	52%	0.521	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-3.9	-173.1	60.5	0	0	0	0	114.4	H153 N194	H153-T196 WeakPolarHBondContact ND1-CA 3.49Å; H153-T196 PolarHBondContact ND1-O 3.12Å; N194-T196 PolarHBondContact O-N 3.29Å; N194-T196 WeakPolarHBondContact OD1-CA 3.19Å; N194-T196 PolarHBondContact OD1-N 2.96Å; N194-T196 PolarHBondContact OD1-OG1 3.03Å
197	F	92.2	Very high	94.5	Very high	63 Å²	63	57.8 Å²	57.8	28%	0.276	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	132.1	-172.1	178.6	-97.8	0	0	0	110	V192 R193 N194 L199	V192-F197 HydrophobicContact CB-CE1 4.24Å; V192-F197 HydrophobicContact CG1-CD1 4.14Å; V192-F197 HydrophobicContact CG1-CE1 4.04Å; R193-F197 CarbonylContact C-O 3.47Å; R193-F197 WeakPolarHBondContact CA-O 3.41Å; N194-F197 PolarHBondContact N-O 3.36Å; N194-F197 PolarHBondContact O-N 3.4Å; N194-F197 WeakPolarHBondContact OD1-CB 3.43Å; N194-F197 PolarHBondContact OD1-N 3.06Å; F197-L199 HydrophobicContact CE1-CB 4.12Å; F197-L199 HydrophobicContact CZ-CB 4.26Å
198	S	94.7	Very high	94.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.6	169.2	57.9	0	0	0	0	109.3	N155 Y176 L182 N190 V192	N155-S198 PolarHBondContact ND2-O 3.18Å; N155-S198 PolarHBondContact ND2-OG 3.42Å; Y176-S198 VanDerWaalsContact CE1-OG 3.31Å; Y176-S198 WeakPolarHBondContact CE1-OG 3.42Å; Y176-S198 PolarHBondContact OH-O 3.19Å; L182-S198 VanDerWaalsContact CA-OG 3.32Å; L182-S198 WeakPolarHBondContact CA-OG 3.31Å; L182-S198 VanDerWaalsContact O-CB 3.24Å; L182-S198 WeakPolarHBondContact O-CB 3.46Å; L182-S198 PolarHBondContact O-OG 2.97Å; N190-S198 WeakPolarHBondContact OD1-CB 3.36Å; V192-S198 CarbonylContact O-C 3.59Å; V192-S198 VanDerWaalsContact O-CA 3.3Å; V192-S198 WeakPolarHBondContact O-CA 3.24Å
199	L	96	Very high	94.4	Very high	64 Å²	64	60.8 Å²	60.8	34%	0.335	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	108.5	168.6	178.2	61.8	0	0	0	107.9	E191 V192 F197	E191-L199 HydrophobicContact CB-CD2 4.47Å; E191-L199 PolarHBondContact N-O 2.92Å; V192-L199 HydrophobicContact CB-CB 4.19Å; V192-L199 PolarHBondContact O-N 3.41Å; F197-L199 HydrophobicContact CE1-CB 4.12Å; F197-L199 HydrophobicContact CZ-CB 4.26Å
200	C	96.9	Very high	94.4	Very high	12 Å²	12	60.5 Å²	60.5	8%	0.081	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120	174.8	-67.7	0	0	0	0	110	A175 Y176 C184 Y188 F189	A175-C200 HydrophobicContact CB-CB 3.98Å; Y176-C200 HydrophobicContact CD1-CB 4.14Å; Y176-C200 WeakPolarHBondContact CD1-SG 3.39Å; Y176-C200 HydrophobicContact CE1-CB 3.64Å; Y176-C200 WeakPolarHBondContact CE1-SG 3.3Å; Y176-C200 HydrophobicContact CE2-CB 4.41Å; Y176-C200 PolarHBondContact OH-N 2.93Å; Y176-C200 VanDerWaalsContact OH-N 3.13Å; C184-C200 WeakPolarHBondContact CA-SG 3.48Å; C184-C200 HydrophobicContact CB-CB 3.89Å; C184-C200 WeakPolarHBondContact CB-SG 3.36Å; C184-C200 WeakPolarHBondContact SG-CA 3.47Å; C184-C200 WeakPolarHBondContact SG-CB 3.36Å; C184-C200 CovalentContact SG-SG 2.03Å; C184-C200 PolarHBondContact SG-SG 3.23Å; Y188-C200 HydrophobicContact CD1-CB 4.38Å; F189-C200 WeakPolarHBondContact O-CA 3.49Å
201	T	96.4	Very high	94.4	Very high	40 Å²	40	62.2 Å²	62.2	25%	0.245	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.9	178.6	-59.6	0	0	0	0	108.5	Y188 F189 E191	Y188-T201 CarbonylContact C-O 3.53Å; Y188-T201 WeakPolarHBondContact CA-O 3.36Å; Y188-T201 WeakPolarHBondContact CB-O 3.42Å; F189-T201 VanDerWaalsContact CD1-O 3.28Å; F189-T201 WeakPolarHBondContact CD1-O 2.93Å; F189-T201 HydrophobicContact CE1-CG2 3.84Å; F189-T201 HydrophobicContact CZ-CG2 4.07Å; F189-T201 PolarHBondContact N-O 3Å; F189-T201 PolarHBondContact O-N 3.36Å; E191-T201 PolarHBondContact OE2-OG1 3.2Å
202	E	96.6	Very high	94.4	Very high	127 Å²	127	57.3 Å²	57.3	59%	0.593	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	142.3	-179.3	-164.5	172	-170.2	0	0	110.6	Y188	Y188-E202 HydrophobicContact CD1-CB 4.23Å; Y188-E202 HydrophobicContact CE1-CB 4.03Å; Y188-E202 HydrophobicContact CE1-CG 4.44Å
203	C	97	Very high	94.5	Very high	10 Å²	10	56.9 Å²	56.9	7%	0.068	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-67.9	167.1	171.7	-63.6	0	0	0	0	111.6	G187 C207 C210	G187-C203 WeakPolarHBondContact O-CB 3.38Å; G187-C203 PolarHBondContact O-N 2.84Å; G187-C203 PolarHBondContact O-SG 2.51Å; G187-C203 VanDerWaalsContact O-SG 3.4Å; C203-C207 HydrophobicContact CB-CB 3.86Å; C203-C210 WeakPolarHBondContact CA-SG 3.33Å; C203-C210 HydrophobicContact CB-CB 3.75Å; C203-C210 WeakPolarHBondContact CB-SG 3.48Å; C203-C210 WeakPolarHBondContact SG-CB 3.49Å; C203-C210 CovalentContact SG-SG 2.01Å; C203-C210 PolarHBondContact SG-SG 3.01Å
204	D	97	Very high	94.7	Very high	46 Å²	46	53.7 Å²	53.7	25%	0.246	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-56.3	151.9	165	-170.1	-91.2	0	0	0	111.3	S206 C207 N215	D204-S206 PolarHBondContact O-N 2.9Å; D204-S206 VanDerWaalsContact O-N 3.13Å; D204-S206 WeakPolarHBondContact OD1-CB 3.48Å; D204-S206 PolarHBondContact OD1-N 3.25Å; D204-S206 PolarHBondContact OD1-OG 2.81Å; D204-C207 PolarHBondContact O-N 3Å; D204-N215 HydrophobicContact CB-CB 4.39Å
205	T	95.8	Very high	94.9	Very high	87 Å²	87	52.5 Å²	52.5	53%	0.534	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.2	-177.3	52.9	0	0	0	0	111.9	K222	T205-K222 WeakPolarHBondContact O-CD 3.5Å; T205-K222 PolarHBondContact O-NZ 3.19Å
206	S	96.7	Very high	95.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-18.5	176.7	65	0	0	0	0	114.6	D204 N215 C221 K222 W225 C233	D204-S206 PolarHBondContact O-N 2.9Å; D204-S206 VanDerWaalsContact O-N 3.13Å; D204-S206 WeakPolarHBondContact OD1-CB 3.48Å; D204-S206 PolarHBondContact OD1-N 3.25Å; D204-S206 PolarHBondContact OD1-OG 2.81Å; S206-N215 WeakPolarHBondContact OG-CB 3.46Å; S206-C221 CarbonylContact O-C 3.55Å; S206-K222 PolarHBondContact O-N 3.32Å; S206-W225 VanDerWaalsContact CB-CD2 3.42Å; S206-C233 WeakPolarHBondContact OG-CB 3.38Å
207	C	96.6	Very high	95.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	135.3	-176.2	-49.8	0	0	0	0	113	C203 D204 C210 C218 K222	C203-C207 HydrophobicContact CB-CB 3.86Å; D204-C207 PolarHBondContact O-N 3Å; C207-C210 HydrophobicContact CB-CB 3.97Å; C207-C218 WeakPolarHBondContact CA-SG 3.48Å; C207-C218 HydrophobicContact CB-CB 3.71Å; C207-C218 WeakPolarHBondContact CB-SG 3.49Å; C207-C218 WeakPolarHBondContact SG-CA 3.34Å; C207-C218 WeakPolarHBondContact SG-CB 3.47Å; C207-C218 CovalentContact SG-SG 2.02Å; C207-C218 PolarHBondContact SG-SG 3.23Å; C207-K222 VanDerWaalsContact C-CG 3.41Å; C207-K222 WeakPolarHBondContact O-CE 3.1Å; C207-K222 WeakPolarHBondContact O-CG 3.43Å; C207-K222 PolarHBondContact O-NZ 2.87Å
208	K	94.4	Very high	95.8	Very high	94 Å²	94	46.9 Å²	46.9	41%	0.409	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-43.6	166.4	-178.6	175.5	164	-147.2	0	111.2	G187 E220 K222	G187-K208 PolarHBondContact N-O 2.6Å; G187-K208 VanDerWaalsContact N-O 3.13Å; K208-E220 HydrophobicContact CB-CB 4.37Å; K208-E220 WeakPolarHBondContact CB-O 3.46Å; K208-E220 HydrophobicContact CD-CG 4.31Å; K208-E220 WeakPolarHBondContact CE-OE2 3.42Å; K208-E220 PolarHBondContact N-O 2.93Å; K208-E220 IonicContact NZ-OE1 2.86Å; K208-E220 PolarHBondContact NZ-OE1 3.19Å; K208-E220 IonicContact NZ-OE2 3.12Å; K208-E220 PolarHBondContact NZ-OE2 3.42Å; K208-K222 HydrophobicContact CB-CG 4.03Å
209	T	94.1	Very high	95.8	Very high	39 Å²	39	52 Å²	52	24%	0.239	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.7	169.5	48.6	0	0	0	0	108.8	D186 C218 D219	D186-T209 HydrophobicContact CB-CG2 4.35Å; T209-C218 WeakPolarHBondContact O-CA 3.26Å; T209-D219 PolarHBondContact O-N 3.5Å
210	C	95.4	Very high	95.8	Very high	12 Å²	12	53.4 Å²	53.4	8%	0.081	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	162.5	-175.9	70.5	0	0	0	0	112.3	F189 C203 C207 G212 D217	F189-C210 VanDerWaalsContact CB-O 3.31Å; F189-C210 WeakPolarHBondContact CB-O 3.06Å; F189-C210 WeakPolarHBondContact CD1-SG 3.37Å; C203-C210 WeakPolarHBondContact CA-SG 3.33Å; C203-C210 HydrophobicContact CB-CB 3.75Å; C203-C210 WeakPolarHBondContact CB-SG 3.48Å; C203-C210 WeakPolarHBondContact SG-CB 3.49Å; C203-C210 CovalentContact SG-SG 2.01Å; C203-C210 PolarHBondContact SG-SG 3.01Å; C207-C210 HydrophobicContact CB-CB 3.97Å; C210-G212 PolarHBondContact SG-O 3.13Å; C210-D217 CarbonylContact C-O 3.31Å; C210-D217 WeakPolarHBondContact CA-O 3.3Å; C210-D217 WeakPolarHBondContact CB-O 3.25Å
211	T	94.8	Very high	95.7	Very high	92 Å²	92	54.1 Å²	54.1	56%	0.564	30%	0.301	S	S	*	.	S	Bend	trans	-108.9	-5.7	172.1	57.8	0	0	0	0	113.1	F189 D217	F189-T211 WeakPolarHBondContact CD2-O 3.17Å; T211-D217 PolarHBondContact N-O 2.78Å; T211-D217 PolarHBondContact OG1-O 2.87Å
212	G	95.4	Very high	95.7	Very high	8 Å²	8	55.9 Å²	55.9	8%	0.082	31%	0.306	C	S	.	.	S	Bend	trans	-158.1	-176.9	-175.9	0	0	0	0	0	112.1	F189 C210 D217	F189-G212 WeakPolarHBondContact CD1-O 3.31Å; F189-G212 VanDerWaalsContact CE1-C 3.42Å; F189-G212 WeakPolarHBondContact CE1-O 3.07Å; C210-G212 PolarHBondContact SG-O 3.13Å; G212-D217 WeakPolarHBondContact CA-OD2 3.23Å; G212-D217 VanDerWaalsContact N-CB 3.33Å
213	A	94.6	Very high	95.6	Very high	58 Å²	58	58.7 Å²	58.7	48%	0.479	32%	0.319	S	S	.	.	S	Bend	trans	-91.1	-7.2	-170.1	0	0	0	0	0	114.1	F189 D217	F189-A213 HydrophobicContact CE1-CB 3.92Å; F189-A213 HydrophobicContact CZ-CB 3.85Å; A213-D217 PolarHBondContact N-OD2 2.83Å
214	T	96.5	Very high	95.6	Very high	62 Å²	62	59.2 Å²	59.2	38%	0.38	33%	0.325	S	S	.	.	S	Bend	trans	-101.3	160.9	-175.7	73.7	0	0	0	0	111.3	Q216 D217	T214-Q216 PolarHBondContact O-N 2.82Å; T214-Q216 VanDerWaalsContact O-N 3.14Å; T214-Q216 PolarHBondContact OG1-N 2.99Å; T214-D217 WeakPolarHBondContact CB-OD2 3.44Å; T214-D217 PolarHBondContact N-OD2 3.27Å; T214-D217 PolarHBondContact O-N 3.12Å; T214-D217 PolarHBondContact OG1-OD2 3.33Å
215	N	95.6	Very high	95.6	Very high	51 Å²	51	59 Å²	59	27%	0.273	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-9.2	174	70.4	-28.4	0	0	0	114.3	D204 S206 C218 A232 C233	D204-N215 HydrophobicContact CB-CB 4.39Å; S206-N215 WeakPolarHBondContact OG-CB 3.46Å; N215-C218 PolarHBondContact O-SG 2.72Å; N215-A232 WeakPolarHBondContact O-CA 3.42Å; N215-C233 PolarHBondContact ND2-O 2.66Å; N215-C233 PolarHBondContact O-N 2.67Å
216	Q	96.1	Very high	95.6	Very high	107 Å²	107	60.2 Å²	60.2	50%	0.5	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-16.2	171.2	-70.6	171.9	19.1	0	0	112.6	T214 C218 A232	T214-Q216 PolarHBondContact O-N 2.82Å; T214-Q216 VanDerWaalsContact O-N 3.14Å; T214-Q216 PolarHBondContact OG1-N 2.99Å; Q216-C218 VanDerWaalsContact C-N 3.26Å; Q216-C218 PolarHBondContact O-N 3.19Å; Q216-A232 HydrophobicContact CG-CB 3.64Å
217	D	96.1	Very high	95.6	Very high	54 Å²	54	66 Å²	66	29%	0.289	35%	0.348	S	S	.	.	S	Bend	trans	-91.4	11.4	-179.1	-54.5	-58.6	0	0	0	112.2	C210 T211 G212 A213 T214	C210-D217 CarbonylContact C-O 3.31Å; C210-D217 WeakPolarHBondContact CA-O 3.3Å; C210-D217 WeakPolarHBondContact CB-O 3.25Å; T211-D217 PolarHBondContact N-O 2.78Å; T211-D217 PolarHBondContact OG1-O 2.87Å; G212-D217 WeakPolarHBondContact CA-OD2 3.23Å; G212-D217 VanDerWaalsContact N-CB 3.33Å; A213-D217 PolarHBondContact N-OD2 2.83Å; T214-D217 WeakPolarHBondContact CB-OD2 3.44Å; T214-D217 PolarHBondContact N-OD2 3.27Å; T214-D217 PolarHBondContact O-N 3.12Å; T214-D217 PolarHBondContact OG1-OD2 3.33Å
218	C	95.8	Very high	95.6	Very high	21 Å²	21	68.6 Å²	68.6	14%	0.142	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.9	178.9	-54.7	0	0	0	0	110.7	C207 T209 N215 Q216 C233	C207-C218 WeakPolarHBondContact CA-SG 3.48Å; C207-C218 HydrophobicContact CB-CB 3.71Å; C207-C218 WeakPolarHBondContact CB-SG 3.49Å; C207-C218 WeakPolarHBondContact SG-CA 3.34Å; C207-C218 WeakPolarHBondContact SG-CB 3.47Å; C207-C218 CovalentContact SG-SG 2.02Å; C207-C218 PolarHBondContact SG-SG 3.23Å; T209-C218 WeakPolarHBondContact O-CA 3.26Å; N215-C218 PolarHBondContact O-SG 2.72Å; Q216-C218 VanDerWaalsContact C-N 3.26Å; Q216-C218 PolarHBondContact O-N 3.19Å; C218-C233 HydrophobicContact CB-CB 4.47Å; C218-C233 WeakPolarHBondContact CB-SG 3.29Å; C218-C233 PolarHBondContact SG-SG 2.91Å
219	D	94.3	Very high	95.6	Very high	109 Å²	109	72.5 Å²	72.5	58%	0.583	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	-28.4	167.8	-65.4	-47	0	0	0	111.4	T209	T209-D219 PolarHBondContact O-N 3.5Å
220	E	94.8	Very high	95.5	Very high	92 Å²	92	77.2 Å²	77.2	43%	0.43	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	127.3	177.5	-169	-175.6	169.9	0	0	108.4	K208	K208-E220 HydrophobicContact CB-CB 4.37Å; K208-E220 WeakPolarHBondContact CB-O 3.46Å; K208-E220 HydrophobicContact CD-CG 4.31Å; K208-E220 WeakPolarHBondContact CE-OE2 3.42Å; K208-E220 PolarHBondContact N-O 2.93Å; K208-E220 IonicContact NZ-OE1 2.86Å; K208-E220 PolarHBondContact NZ-OE1 3.19Å; K208-E220 IonicContact NZ-OE2 3.12Å; K208-E220 PolarHBondContact NZ-OE2 3.42Å
221	C	96.4	Very high	95.4	Very high	28 Å²	28	83.3 Å²	83.3	19%	0.189	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	148.3	172.6	-53.9	0	0	0	0	111	S206 W225 C233	S206-C221 CarbonylContact O-C 3.55Å; C221-W225 HydrophobicContact CB-CB 4Å; C221-C233 WeakPolarHBondContact CA-SG 3.37Å; C221-C233 HydrophobicContact CB-CB 3.87Å; C221-C233 WeakPolarHBondContact CB-SG 3.44Å; C221-C233 WeakPolarHBondContact SG-CB 3.08Å; C221-C233 CovalentContact SG-SG 2.03Å; C221-C233 PolarHBondContact SG-SG 3.34Å
222	K	95.9	Very high	95.5	Very high	77 Å²	77	79.1 Å²	79.1	34%	0.335	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-67.8	162	169.8	-67.5	-163.6	-179.1	102	0	110.4	T205 S206 C207 K208 W225	T205-K222 WeakPolarHBondContact O-CD 3.5Å; T205-K222 PolarHBondContact O-NZ 3.19Å; S206-K222 PolarHBondContact O-N 3.32Å; C207-K222 VanDerWaalsContact C-CG 3.41Å; C207-K222 WeakPolarHBondContact O-CE 3.1Å; C207-K222 WeakPolarHBondContact O-CG 3.43Å; C207-K222 PolarHBondContact O-NZ 2.87Å; K208-K222 HydrophobicContact CB-CG 4.03Å; K222-W225 WeakPolarHBondContact O-CB 3.47Å; K222-W225 PolarHBondContact O-N 2.78Å; K222-W225 VanDerWaalsContact O-N 3.12Å
223	E	95.4	Very high	95.6	Very high	186 Å²	186	78.9 Å²	78.9	87%	0.869	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	140.3	168.3	-64.2	-172.9	169.4	0	0	110.4	W225	E223-W225 VanDerWaalsContact C-N 3.31Å
224	G	95.4	Very high	95.7	Very high	20 Å²	20	78.4 Å²	78.4	21%	0.206	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	0.5	-171.6	0	0	0	0	0	114.2	V236	G224-V236 WeakPolarHBondContact O-CB 3.27Å; G224-V236 WeakPolarHBondContact O-CG2 3.34Å; G224-V236 PolarHBondContact O-N 3.04Å
225	W	97.6	Very high	95.8	Very high	41 Å²	41	77.4 Å²	77.4	16%	0.155	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.9	177.3	-54.9	77.9	0	0	0	110.2	S206 C221 K222 E223 V234 D235 E256 G257	S206-W225 VanDerWaalsContact CB-CD2 3.42Å; C221-W225 HydrophobicContact CB-CB 4Å; K222-W225 WeakPolarHBondContact O-CB 3.47Å; K222-W225 PolarHBondContact O-N 2.78Å; K222-W225 VanDerWaalsContact O-N 3.12Å; E223-W225 VanDerWaalsContact C-N 3.31Å; W225-V234 CarbonylContact C-O 3.43Å; W225-V234 VanDerWaalsContact CA-O 3.29Å; W225-V234 WeakPolarHBondContact CA-O 3.29Å; W225-D235 VanDerWaalsContact CE3-CA 3.48Å; W225-D235 HydrophobicContact CE3-CB 3.95Å; W225-D235 HydrophobicContact CH2-CB 4.17Å; W225-D235 HydrophobicContact CZ3-CB 3.72Å; W225-E256 HydrophobicContact CH2-CB 4.01Å; W225-E256 HydrophobicContact CH2-CG 4.38Å; W225-E256 HydrophobicContact CZ2-CB 3.97Å; W225-G257 VanDerWaalsContact NE1-CA 3.25Å
226	E	96	Very high	95.8	Very high	114 Å²	114	75.6 Å²	75.6	53%	0.533	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.6	176	70	-174.5	178.9	0	0	111.2	C233 V234 V236	E226-C233 WeakPolarHBondContact O-CA 2.97Å; E226-V234 HydrophobicContact CG-CG2 4.34Å; E226-V234 PolarHBondContact N-O 2.87Å; E226-V234 WeakPolarHBondContact O-CG2 3.5Å; E226-V234 PolarHBondContact O-N 2.86Å; E226-V236 HydrophobicContact CB-CG2 3.67Å; E226-V236 HydrophobicContact CG-CG2 3.64Å
227	E	97.1	Very high	95.9	Very high	120 Å²	120	74.1 Å²	74.1	56%	0.561	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	128.4	179	-168.6	-179	164.3	0	0	110.1	E231 A232	E227-E231 HydrophobicContact CG-CB 4.46Å; E227-E231 VanDerWaalsContact OE1-CA 3.31Å; E227-E231 WeakPolarHBondContact OE1-CA 3.33Å; E227-E231 VanDerWaalsContact OE1-CB 3.3Å; E227-E231 WeakPolarHBondContact OE1-CB 3.44Å; E227-E231 WeakPolarHBondContact OE1-CG 3.41Å; E227-A232 WeakPolarHBondContact CA-O 3.47Å
228	D	95.5	Very high	95.9	Very high	55 Å²	55	72.5 Å²	72.5	29%	0.294	37%	0.366	S	S	.	.			trans	-87.5	-177.8	177.1	81.8	-7.4	0	0	0	113	Q230 E231 A232 V234	D228-Q230 PolarHBondContact O-N 3.43Å; D228-Q230 VanDerWaalsContact OD1-CA 3.31Å; D228-Q230 WeakPolarHBondContact OD1-CA 3.37Å; D228-Q230 WeakPolarHBondContact OD1-CB 3.2Å; D228-Q230 PolarHBondContact OD1-N 2.83Å; D228-E231 PolarHBondContact O-N 3.18Å; D228-E231 VanDerWaalsContact O-N 3.07Å; D228-E231 PolarHBondContact OD1-N 3.44Å; D228-A232 PolarHBondContact N-O 3.16Å; D228-A232 WeakPolarHBondContact OD1-CB 3.35Å; D228-A232 PolarHBondContact OD1-N 2.99Å; D228-V234 HydrophobicContact CB-CG1 4.23Å; D228-V234 HydrophobicContact CB-CG2 4Å
229	D	94.4	Very high	95.8	Very high	177 Å²	177	73.1 Å²	73.1	95%	0.947	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-12.2	178.9	-70.6	-32.6	0	0	0	114.1
230	Q	92.9	Very high	95.8	Very high	138 Å²	138	71.3 Å²	71.3	65%	0.645	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	14.7	178.9	-61.8	176.7	38.2	0	0	112.4	D228 A232	D228-Q230 PolarHBondContact O-N 3.43Å; D228-Q230 VanDerWaalsContact OD1-CA 3.31Å; D228-Q230 WeakPolarHBondContact OD1-CA 3.37Å; D228-Q230 WeakPolarHBondContact OD1-CB 3.2Å; D228-Q230 PolarHBondContact OD1-N 2.83Å; Q230-A232 PolarHBondContact O-N 2.85Å
231	E	92.8	Very high	95.6	Very high	140 Å²	140	72.2 Å²	72.2	65%	0.654	37%	0.373	S	S	*	.	S	Bend	trans	61.3	23.1	-176.1	-52.3	179.8	130.7	0	0	112.3	E227 D228	E227-E231 HydrophobicContact CG-CB 4.46Å; E227-E231 VanDerWaalsContact OE1-CA 3.31Å; E227-E231 WeakPolarHBondContact OE1-CA 3.33Å; E227-E231 VanDerWaalsContact OE1-CB 3.3Å; E227-E231 WeakPolarHBondContact OE1-CB 3.44Å; E227-E231 WeakPolarHBondContact OE1-CG 3.41Å; D228-E231 PolarHBondContact O-N 3.18Å; D228-E231 VanDerWaalsContact O-N 3.07Å; D228-E231 PolarHBondContact OD1-N 3.44Å
232	A	96.6	Very high	95.3	Very high	3 Å²	3	79.2 Å²	79.2	3%	0.025	40%	0.403	C	S	.	.			trans	-95.8	133.4	177.7	0	0	0	0	0	110.6	N215 Q216 E227 D228 Q230 V234	N215-A232 WeakPolarHBondContact O-CA 3.42Å; Q216-A232 HydrophobicContact CG-CB 3.64Å; E227-A232 WeakPolarHBondContact CA-O 3.47Å; D228-A232 PolarHBondContact N-O 3.16Å; D228-A232 WeakPolarHBondContact OD1-CB 3.35Å; D228-A232 PolarHBondContact OD1-N 2.99Å; Q230-A232 PolarHBondContact O-N 2.85Å; A232-V234 PolarHBondContact O-N 2.86Å
233	C	97.8	Very high	94.9	Very high	4 Å²	4	81 Å²	81	3%	0.027	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	115.6	170.1	-64.4	0	0	0	0	109.5	S206 N215 C218 C221 E226	S206-C233 WeakPolarHBondContact OG-CB 3.38Å; N215-C233 PolarHBondContact ND2-O 2.66Å; N215-C233 PolarHBondContact O-N 2.67Å; C218-C233 HydrophobicContact CB-CB 4.47Å; C218-C233 WeakPolarHBondContact CB-SG 3.29Å; C218-C233 PolarHBondContact SG-SG 2.91Å; C221-C233 WeakPolarHBondContact CA-SG 3.37Å; C221-C233 HydrophobicContact CB-CB 3.87Å; C221-C233 WeakPolarHBondContact CB-SG 3.44Å; C221-C233 WeakPolarHBondContact SG-CB 3.08Å; C221-C233 CovalentContact SG-SG 2.03Å; C221-C233 PolarHBondContact SG-SG 3.34Å; E226-C233 WeakPolarHBondContact O-CA 2.97Å
234	V	97.1	Very high	94.6	Very high	47 Å²	47	74.7 Å²	74.7	29%	0.285	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	151.3	177.8	-61.5	0	0	0	0	110.4	W225 E226 D228 A232 V236	W225-V234 CarbonylContact C-O 3.43Å; W225-V234 VanDerWaalsContact CA-O 3.29Å; W225-V234 WeakPolarHBondContact CA-O 3.29Å; E226-V234 HydrophobicContact CG-CG2 4.34Å; E226-V234 PolarHBondContact N-O 2.87Å; E226-V234 WeakPolarHBondContact O-CG2 3.5Å; E226-V234 PolarHBondContact O-N 2.86Å; D228-V234 HydrophobicContact CB-CG1 4.23Å; D228-V234 HydrophobicContact CB-CG2 4Å; A232-V234 PolarHBondContact O-N 2.86Å; V234-V236 PolarHBondContact O-N 3.32Å
235	D	97.9	Very high	94.5	Very high	41 Å²	41	76 Å²	76	22%	0.219	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	131.3	-178	-180	62.1	0	0	0	110.7	W225 N237 N254 G257	W225-D235 VanDerWaalsContact CE3-CA 3.48Å; W225-D235 HydrophobicContact CE3-CB 3.95Å; W225-D235 HydrophobicContact CH2-CB 4.17Å; W225-D235 HydrophobicContact CZ3-CB 3.72Å; D235-N237 PolarHBondContact O-N 2.57Å; D235-N254 PolarHBondContact OD2-ND2 2.03Å; D235-G257 WeakPolarHBondContact OD1-CA 3.35Å; D235-G257 PolarHBondContact OD1-N 2.82Å
236	V	97	Very high	94.4	Very high	13 Å²	13	75 Å²	75	8%	0.079	40%	0.403	C	S	.	.			trans	-79.4	112.9	176.8	175.8	0	0	0	0	107.8	G224 E226 V234 E238 K241 N254	G224-V236 WeakPolarHBondContact O-CB 3.27Å; G224-V236 WeakPolarHBondContact O-CG2 3.34Å; G224-V236 PolarHBondContact O-N 3.04Å; E226-V236 HydrophobicContact CB-CG2 3.67Å; E226-V236 HydrophobicContact CG-CG2 3.64Å; V234-V236 PolarHBondContact O-N 3.32Å; V236-E238 HydrophobicContact CG1-CG 4.24Å; V236-E238 PolarHBondContact O-N 3.04Å; V236-K241 VanDerWaalsContact CG1-NZ 3.28Å; V236-N254 PolarHBondContact O-OD1 3.49Å
237	N	96.4	Very high	94.2	Very high	76 Å²	76	76.6 Å²	76.6	41%	0.406	41%	0.408	S	S	.	.			trans	-74.5	92.5	174.1	-172.6	-16.6	0	0	0	111	D235 C239 A240 N254	D235-N237 PolarHBondContact O-N 2.57Å; N237-C239 PolarHBondContact O-N 3.43Å; N237-C239 WeakPolarHBondContact OD1-CB 3.06Å; N237-C239 PolarHBondContact OD1-N 2.7Å; N237-C239 VanDerWaalsContact OD1-N 3.11Å; N237-A240 HydrophobicContact CB-CB 4.16Å; N237-A240 PolarHBondContact O-N 3.46Å; N237-A240 PolarHBondContact OD1-N 2.71Å; N237-N254 WeakPolarHBondContact CA-OD1 3.5Å
238	E	96	Very high	93.5	Very high	20 Å²	20	79.3 Å²	79.3	9%	0.093	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-67.7	-25.3	-179.9	-60.5	90.8	172.9	0	0	112.9	V236 A240 K241 P245 N254 Y259	V236-E238 HydrophobicContact CG1-CG 4.24Å; V236-E238 PolarHBondContact O-N 3.04Å; E238-A240 PolarHBondContact O-N 2.93Å; E238-K241 WeakPolarHBondContact O-CB 3.35Å; E238-K241 PolarHBondContact O-N 3.21Å; E238-P245 HydrophobicContact CB-CG 4.19Å; E238-P245 WeakPolarHBondContact O-CD 3.36Å; E238-N254 PolarHBondContact N-OD1 3.45Å; E238-N254 PolarHBondContact OE2-OD1 3.34Å; E238-Y259 HydrophobicContact CB-CD1 3.57Å; E238-Y259 HydrophobicContact CB-CE1 4.13Å; E238-Y259 HydrophobicContact CB-CG 3.98Å; E238-Y259 HydrophobicContact CG-CD1 3.64Å; E238-Y259 HydrophobicContact CG-CE1 4.08Å; E238-Y259 HydrophobicContact CG-CG 4.48Å
239	C	94.8	Very high	93.1	Very high	34 Å²	34	81.4 Å²	81.4	23%	0.23	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-71.3	-17.5	177.1	-55.4	0	0	0	0	113.3	N237 K241 C252 L253 N254	N237-C239 PolarHBondContact O-N 3.43Å; N237-C239 WeakPolarHBondContact OD1-CB 3.06Å; N237-C239 PolarHBondContact OD1-N 2.7Å; N237-C239 VanDerWaalsContact OD1-N 3.11Å; C239-K241 VanDerWaalsContact C-N 3.31Å; C239-C252 WeakPolarHBondContact CA-SG 3.4Å; C239-C252 HydrophobicContact CB-CB 3.65Å; C239-C252 WeakPolarHBondContact CB-SG 3.37Å; C239-C252 WeakPolarHBondContact SG-CB 3.38Å; C239-C252 CovalentContact SG-SG 2.03Å; C239-C252 PolarHBondContact SG-SG 3.33Å; C239-L253 PolarHBondContact SG-N 3.05Å; C239-N254 PolarHBondContact SG-N 2.83Å
240	A	94.1	Very high	93.2	Very high	72 Å²	72	75.6 Å²	75.6	60%	0.595	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-85.3	-3.4	173.7	0	0	0	0	0	113.1	N237 E238	N237-A240 HydrophobicContact CB-CB 4.16Å; N237-A240 PolarHBondContact O-N 3.46Å; N237-A240 PolarHBondContact OD1-N 2.71Å; E238-A240 PolarHBondContact O-N 2.93Å
241	K	90.5	Very high	93.2	Very high	110 Å²	110	70.7 Å²	70.7	48%	0.478	38%	0.375	S	S	.	.	S	Bend	trans	-80.9	144.8	177.8	-65.5	177.1	179.7	165.8	0	110.7	V236 E238 C239 P243 S244	V236-K241 VanDerWaalsContact CG1-NZ 3.28Å; E238-K241 WeakPolarHBondContact O-CB 3.35Å; E238-K241 PolarHBondContact O-N 3.21Å; C239-K241 VanDerWaalsContact C-N 3.31Å; K241-P243 CarbonylContact O-C 3.43Å; K241-P243 VanDerWaalsContact O-C 3.25Å; K241-S244 PolarHBondContact O-N 3.33Å
242	E	89.4	Confident	93.3	Very high	175 Å²	175	65.1 Å²	65.1	82%	0.818	35%	0.351	S	S	*	.	S	Bend	trans	-116.8	121.4	177.6	-72.8	-64.3	161.4	0	0	110.6
243	P	88.7	Confident	93.3	Very high	114 Å²	114	68.6 Å²	68.6	74%	0.74	37%	0.369	S	S	*	.	S	Bend	cis	-73.8	156.4	0	31.8	-35.4	0	0	0	113	K241	K241-P243 CarbonylContact O-C 3.43Å; K241-P243 VanDerWaalsContact O-C 3.25Å
244	S	88.9	Confident	93.2	Very high	54 Å²	54	71 Å²	71	38%	0.378	38%	0.382	S	S	.	.			trans	-48.7	140.3	174.1	172.8	0	0	0	0	111.7	K241 C246	K241-S244 PolarHBondContact O-N 3.33Å; S244-C246 PolarHBondContact O-N 3.18Å; S244-C246 PolarHBondContact OG-N 2.75Å
245	P	93.5	Very high	93.2	Very high	49 Å²	49	71.7 Å²	71.7	32%	0.318	39%	0.386	S	S	.	.	S	Bend	trans	-74.4	-8.1	179.3	33.1	-38.1	0	0	0	113.5	E238 Y259	E238-P245 HydrophobicContact CB-CG 4.19Å; E238-P245 WeakPolarHBondContact O-CD 3.36Å; P245-Y259 HydrophobicContact CB-CD2 4.3Å; P245-Y259 HydrophobicContact CB-CE1 4.4Å; P245-Y259 HydrophobicContact CB-CE2 3.61Å; P245-Y259 HydrophobicContact CG-CD2 3.84Å; P245-Y259 HydrophobicContact CG-CE2 3.67Å; P245-Y259 HydrophobicContact CG-CG 4.39Å
246	C	94.3	Very high	93.1	Very high	20 Å²	20	77.3 Å²	77.3	14%	0.135	41%	0.411	C	S	.	.	S	Bend	trans	-97.3	165.7	-179.6	-60.6	0	0	0	0	112.4	S244 Q250 C252 C261	S244-C246 PolarHBondContact O-N 3.18Å; S244-C246 PolarHBondContact OG-N 2.75Å; C246-Q250 HydrophobicContact CB-CB 4.11Å; C246-C252 HydrophobicContact CB-CB 4.43Å; C246-C252 VanDerWaalsContact SG-CB 3.51Å; C246-C261 WeakPolarHBondContact CA-SG 3.18Å; C246-C261 HydrophobicContact CB-CB 3.74Å; C246-C261 WeakPolarHBondContact CB-SG 3.11Å; C246-C261 WeakPolarHBondContact SG-CA 3.32Å; C246-C261 WeakPolarHBondContact SG-CB 3.38Å; C246-C261 CovalentContact SG-SG 2.03Å; C246-C261 PolarHBondContact SG-SG 2.91Å
247	K	91.5	Very high	93	Very high	147 Å²	147	77.6 Å²	77.6	64%	0.639	42%	0.417	S	S	*	.			trans	-75.6	163.4	175.2	-62.4	178.2	-177.7	175.4	0	111.3	D249 Q250	K247-D249 VanDerWaalsContact CB-OD1 3.29Å; K247-D249 WeakPolarHBondContact CB-OD1 3.04Å; K247-D249 PolarHBondContact O-N 3.11Å; K247-Q250 HydrophobicContact CB-CG 4.29Å; K247-Q250 WeakPolarHBondContact O-CB 3.4Å; K247-Q250 PolarHBondContact O-N 3.26Å
248	E	82.8	Confident	93	Very high	176 Å²	176	76.8 Å²	76.8	82%	0.822	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.9	-179.1	-60.4	-70.6	163.6	0	0	114.4	Q250	E248-Q250 VanDerWaalsContact C-N 3.3Å
249	D	88.6	Confident	93	Very high	100 Å²	100	80.1 Å²	80.1	54%	0.535	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	13.5	176.7	65.4	-36.5	0	0	0	113.2	K247 C264	K247-D249 VanDerWaalsContact CB-OD1 3.29Å; K247-D249 WeakPolarHBondContact CB-OD1 3.04Å; K247-D249 PolarHBondContact O-N 3.11Å; D249-C264 VanDerWaalsContact C-SG 3.53Å; D249-C264 PolarHBondContact O-N 2.85Å; D249-C264 VanDerWaalsContact O-N 3.1Å; D249-C264 PolarHBondContact O-SG 3.22Å; D249-C264 VanDerWaalsContact O-SG 3.36Å
250	Q	94.8	Very high	93.1	Very high	54 Å²	54	80.4 Å²	80.4	25%	0.252	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.2	-176.3	-60.5	-178.3	-30.6	0	0	111	C246 K247 E248 C261 N262	C246-Q250 HydrophobicContact CB-CB 4.11Å; K247-Q250 HydrophobicContact CB-CG 4.29Å; K247-Q250 WeakPolarHBondContact O-CB 3.4Å; K247-Q250 PolarHBondContact O-N 3.26Å; E248-Q250 VanDerWaalsContact C-N 3.3Å; Q250-C261 HydrophobicContact CB-CB 4.24Å; Q250-C261 VanDerWaalsContact OE1-CB 3.29Å; Q250-N262 CarbonylContact C-O 3.58Å; Q250-N262 WeakPolarHBondContact CA-O 3.36Å; Q250-N262 WeakPolarHBondContact CB-O 3.5Å
251	Y	93.6	Very high	93.2	Very high	36 Å²	36	79 Å²	79	14%	0.141	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	147.4	167.3	68.8	-78.5	0	0	0	110.5	L253 C261 N262 G263 G273 G274	Y251-L253 HydrophobicContact CD2-CD2 3.92Å; Y251-L253 HydrophobicContact CD2-CG 3.91Å; Y251-L253 HydrophobicContact CE2-CD1 3.75Å; Y251-L253 HydrophobicContact CE2-CD2 3.66Å; Y251-L253 HydrophobicContact CE2-CG 3.51Å; Y251-C261 WeakPolarHBondContact O-CA 3.31Å; Y251-N262 HydrophobicContact CD1-CB 4.09Å; Y251-N262 WeakPolarHBondContact CD1-O 3.29Å; Y251-N262 HydrophobicContact CE1-CB 3.44Å; Y251-N262 VanDerWaalsContact CE1-CB 3.44Å; Y251-N262 HydrophobicContact CE2-CB 4.14Å; Y251-N262 VanDerWaalsContact CZ-CB 3.47Å; Y251-N262 PolarHBondContact N-O 3.34Å; Y251-N262 PolarHBondContact O-N 2.82Å; Y251-G263 WeakPolarHBondContact CE1-O 3.49Å; Y251-G273 WeakPolarHBondContact CD1-O 2.97Å; Y251-G274 VanDerWaalsContact CZ-N 3.27Å; Y251-G274 WeakPolarHBondContact OH-CA 3.5Å
252	C	95.9	Very high	93.5	Very high	23 Å²	23	76.4 Å²	76.4	16%	0.155	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.6	-179.6	-170.6	0	0	0	0	110.3	C239 C246	C239-C252 WeakPolarHBondContact CA-SG 3.4Å; C239-C252 HydrophobicContact CB-CB 3.65Å; C239-C252 WeakPolarHBondContact CB-SG 3.37Å; C239-C252 WeakPolarHBondContact SG-CB 3.38Å; C239-C252 CovalentContact SG-SG 2.03Å; C239-C252 PolarHBondContact SG-SG 3.33Å; C246-C252 HydrophobicContact CB-CB 4.43Å; C246-C252 VanDerWaalsContact SG-CB 3.51Å
253	L	95.9	Very high	93.8	Very high	75 Å²	75	70.4 Å²	70.4	39%	0.393	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	119.1	168.5	-68.3	-176.2	0	0	0	109.6	C239 Y251 Y259 S260 N262	C239-L253 PolarHBondContact SG-N 3.05Å; Y251-L253 HydrophobicContact CD2-CD2 3.92Å; Y251-L253 HydrophobicContact CD2-CG 3.91Å; Y251-L253 HydrophobicContact CE2-CD1 3.75Å; Y251-L253 HydrophobicContact CE2-CD2 3.66Å; Y251-L253 HydrophobicContact CE2-CG 3.51Å; L253-Y259 CarbonylContact O-C 3.32Å; L253-Y259 WeakPolarHBondContact O-CA 3.04Å; L253-S260 PolarHBondContact N-O 3.18Å; L253-S260 PolarHBondContact O-N 3.36Å; L253-N262 VanDerWaalsContact CD1-ND2 3.31Å; L253-N262 WeakPolarHBondContact CD1-ND2 3.44Å
254	N	96.3	Very high	94.1	Very high	56 Å²	56	66.3 Å²	66.3	30%	0.299	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	137.9	176	-166.7	56.9	0	0	0	110.4	D235 V236 N237 E238 C239	D235-N254 PolarHBondContact OD2-ND2 2.03Å; V236-N254 PolarHBondContact O-OD1 3.49Å; N237-N254 WeakPolarHBondContact CA-OD1 3.5Å; E238-N254 PolarHBondContact N-OD1 3.45Å; E238-N254 PolarHBondContact OE2-OD1 3.34Å; C239-N254 PolarHBondContact SG-N 2.83Å
255	T	96.4	Very high	94.4	Very high	61 Å²	61	66 Å²	66	37%	0.374	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.1	179.7	54.9	0	0	0	0	109.4	G257 S258 Y259	T255-G257 PolarHBondContact O-N 3.21Å; T255-S258 CarbonylContact C-O 3.52Å; T255-S258 VanDerWaalsContact C-O 3.3Å; T255-S258 WeakPolarHBondContact CA-O 3.03Å; T255-S258 PolarHBondContact N-O 2.83Å; T255-S258 CarbonylContact O-C 3.52Å; T255-S258 PolarHBondContact O-N 2.96Å; T255-S258 PolarHBondContact OG1-O 3.3Å; T255-Y259 PolarHBondContact OG1-N 2.03Å
256	E	95.6	Very high	94.4	Very high	158 Å²	158	69 Å²	69	74%	0.738	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	117.6	-179.6	-66.8	-179.8	178	0	0	111.5	W225	W225-E256 HydrophobicContact CH2-CB 4.01Å; W225-E256 HydrophobicContact CH2-CG 4.38Å; W225-E256 HydrophobicContact CZ2-CB 3.97Å
257	G	94.9	Very high	94.5	Very high	20 Å²	20	68.2 Å²	68.2	21%	0.206	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	8.5	-177.7	0	0	0	0	0	115.7	W225 D235 T255	W225-G257 VanDerWaalsContact NE1-CA 3.25Å; D235-G257 WeakPolarHBondContact OD1-CA 3.35Å; D235-G257 PolarHBondContact OD1-N 2.82Å; T255-G257 PolarHBondContact O-N 3.21Å
258	S	96.2	Very high	94.6	Very high	58 Å²	58	61.9 Å²	61.9	41%	0.406	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	-171.1	-178.5	-163	0	0	0	0	112.9	T255	T255-S258 CarbonylContact C-O 3.52Å; T255-S258 VanDerWaalsContact C-O 3.3Å; T255-S258 WeakPolarHBondContact CA-O 3.03Å; T255-S258 PolarHBondContact N-O 2.83Å; T255-S258 CarbonylContact O-C 3.52Å; T255-S258 PolarHBondContact O-N 2.96Å; T255-S258 PolarHBondContact OG1-O 3.3Å
259	Y	96.4	Very high	95.1	Very high	90 Å²	90	58.1 Å²	58.1	35%	0.353	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	161	170.3	63.9	-77.9	0	0	0	111.2	E238 P245 L253 T255	E238-Y259 HydrophobicContact CB-CD1 3.57Å; E238-Y259 HydrophobicContact CB-CE1 4.13Å; E238-Y259 HydrophobicContact CB-CG 3.98Å; E238-Y259 HydrophobicContact CG-CD1 3.64Å; E238-Y259 HydrophobicContact CG-CE1 4.08Å; E238-Y259 HydrophobicContact CG-CG 4.48Å; P245-Y259 HydrophobicContact CB-CD2 4.3Å; P245-Y259 HydrophobicContact CB-CE1 4.4Å; P245-Y259 HydrophobicContact CB-CE2 3.61Å; P245-Y259 HydrophobicContact CG-CD2 3.84Å; P245-Y259 HydrophobicContact CG-CE2 3.67Å; P245-Y259 HydrophobicContact CG-CG 4.39Å; L253-Y259 CarbonylContact O-C 3.32Å; L253-Y259 WeakPolarHBondContact O-CA 3.04Å; T255-Y259 PolarHBondContact OG1-N 2.03Å
260	S	96.8	Very high	95.2	Very high	40 Å²	40	53.8 Å²	53.8	28%	0.28	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136	172	65.9	0	0	0	0	110.8	L253 N262	L253-S260 PolarHBondContact N-O 3.18Å; L253-S260 PolarHBondContact O-N 3.36Å; S260-N262 PolarHBondContact OG-ND2 2.88Å
261	C	96.7	Very high	95.1	Very high	43 Å²	43	51.6 Å²	51.6	29%	0.291	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	115.5	172.9	-59.3	0	0	0	0	108.8	C246 Q250 Y251	C246-C261 WeakPolarHBondContact CA-SG 3.18Å; C246-C261 HydrophobicContact CB-CB 3.74Å; C246-C261 WeakPolarHBondContact CB-SG 3.11Å; C246-C261 WeakPolarHBondContact SG-CA 3.32Å; C246-C261 WeakPolarHBondContact SG-CB 3.38Å; C246-C261 CovalentContact SG-SG 2.03Å; C246-C261 PolarHBondContact SG-SG 2.91Å; Q250-C261 HydrophobicContact CB-CB 4.24Å; Q250-C261 VanDerWaalsContact OE1-CB 3.29Å; Y251-C261 WeakPolarHBondContact O-CA 3.31Å
262	N	96.1	Very high	95	Very high	56 Å²	56	54 Å²	54	30%	0.299	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.3	-178.7	-64.5	-64.7	0	0	0	109.5	Q250 Y251 L253 S260	Q250-N262 CarbonylContact C-O 3.58Å; Q250-N262 WeakPolarHBondContact CA-O 3.36Å; Q250-N262 WeakPolarHBondContact CB-O 3.5Å; Y251-N262 HydrophobicContact CD1-CB 4.09Å; Y251-N262 WeakPolarHBondContact CD1-O 3.29Å; Y251-N262 HydrophobicContact CE1-CB 3.44Å; Y251-N262 VanDerWaalsContact CE1-CB 3.44Å; Y251-N262 HydrophobicContact CE2-CB 4.14Å; Y251-N262 VanDerWaalsContact CZ-CB 3.47Å; Y251-N262 PolarHBondContact N-O 3.34Å; Y251-N262 PolarHBondContact O-N 2.82Å; L253-N262 VanDerWaalsContact CD1-ND2 3.31Å; L253-N262 WeakPolarHBondContact CD1-ND2 3.44Å; S260-N262 PolarHBondContact OG-ND2 2.88Å
263	G	95.3	Very high	94.8	Very high	48 Å²	48	53.4 Å²	53.4	50%	0.495	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	147.5	179	0	0	0	0	0	111.7	Y251	Y251-G263 WeakPolarHBondContact CE1-O 3.49Å
264	C	95.4	Very high	94.6	Very high	28 Å²	28	51.6 Å²	51.6	19%	0.189	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-63.3	160.8	171.3	-59.7	0	0	0	0	112.4	D249 C268 C271	D249-C264 VanDerWaalsContact C-SG 3.53Å; D249-C264 PolarHBondContact O-N 2.85Å; D249-C264 VanDerWaalsContact O-N 3.1Å; D249-C264 PolarHBondContact O-SG 3.22Å; D249-C264 VanDerWaalsContact O-SG 3.36Å; C264-C268 HydrophobicContact CB-CB 4.04Å; C264-C271 WeakPolarHBondContact CA-SG 3.35Å; C264-C271 HydrophobicContact CB-CB 3.65Å; C264-C271 WeakPolarHBondContact CB-SG 3.4Å; C264-C271 WeakPolarHBondContact SG-CB 3.26Å; C264-C271 PolarHBondContact SG-N 3.36Å; C264-C271 CovalentContact SG-SG 2.02Å; C264-C271 PolarHBondContact SG-SG 3.1Å
265	D	95.1	Very high	94.5	Very high	47 Å²	47	49.8 Å²	49.8	25%	0.251	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-60.1	150	168.6	-167.9	-81.2	0	0	0	110.6	A267 C268	D265-A267 PolarHBondContact O-N 2.88Å; D265-A267 VanDerWaalsContact O-N 3.14Å; D265-A267 VanDerWaalsContact OD1-CB 3.28Å; D265-A267 WeakPolarHBondContact OD1-CB 3.46Å; D265-A267 PolarHBondContact OD1-N 3Å; D265-C268 WeakPolarHBondContact O-CB 3.41Å; D265-C268 PolarHBondContact O-N 3.3Å
266	E	94.2	Very high	94.3	Very high	114 Å²	114	48.9 Å²	48.9	53%	0.533	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.7	178.7	61.1	-173.4	169.4	0	0	112.8	C268 K317	E266-C268 VanDerWaalsContact C-N 3.28Å; E266-C268 PolarHBondContact O-N 2.02Å; E266-K317 WeakPolarHBondContact OE1-CD 3.03Å; E266-K317 IonicContact OE1-NZ 3.45Å; E266-K317 PolarHBondContact OE1-NZ 3.06Å
267	A	95	Very high	94.3	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.017	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-4.9	175.8	0	0	0	0	0	114.3	D265 P276 C282 A283 Y286 C293	D265-A267 PolarHBondContact O-N 2.88Å; D265-A267 VanDerWaalsContact O-N 3.14Å; D265-A267 VanDerWaalsContact OD1-CB 3.28Å; D265-A267 WeakPolarHBondContact OD1-CB 3.46Å; D265-A267 PolarHBondContact OD1-N 3Å; A267-P276 HydrophobicContact CB-CB 4.23Å; A267-C282 CarbonylContact O-C 3.48Å; A267-C282 WeakPolarHBondContact O-CA 3.12Å; A267-A283 PolarHBondContact O-N 3.38Å; A267-Y286 HydrophobicContact CB-CD1 3.37Å; A267-Y286 HydrophobicContact CB-CD2 4.26Å; A267-Y286 HydrophobicContact CB-CE1 3.51Å; A267-Y286 HydrophobicContact CB-CE2 4.36Å; A267-Y286 HydrophobicContact CB-CG 3.78Å; A267-C293 HydrophobicContact CB-CB 3.81Å
268	C	95.3	Very high	94.3	Very high	15 Å²	15	48.9 Å²	48.9	10%	0.101	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-109.9	143.5	-172.8	-54.1	0	0	0	0	113.8	C264 D265 E266 C271 C279 A281	C264-C268 HydrophobicContact CB-CB 4.04Å; D265-C268 WeakPolarHBondContact O-CB 3.41Å; D265-C268 PolarHBondContact O-N 3.3Å; E266-C268 VanDerWaalsContact C-N 3.28Å; E266-C268 PolarHBondContact O-N 2.02Å; C268-C271 HydrophobicContact CB-CB 4.41Å; C268-C279 VanDerWaalsContact CA-SG 3.53Å; C268-C279 HydrophobicContact CB-CB 3.72Å; C268-C279 WeakPolarHBondContact CB-SG 3.37Å; C268-C279 VanDerWaalsContact SG-CA 3.51Å; C268-C279 WeakPolarHBondContact SG-CB 3.07Å; C268-C279 CovalentContact SG-SG 2.02Å; C268-C279 PolarHBondContact SG-SG 2.04Å; C268-A281 WeakPolarHBondContact CA-O 3.11Å
269	T	92.4	Very high	94.1	Very high	96 Å²	96	47.4 Å²	47.4	59%	0.589	29%	0.291	S	S	*	.	S	Bend	trans	-107.8	77.7	160.6	-57	0	0	0	0	108.5	A281 A283	T269-A281 PolarHBondContact N-O 2.78Å; T269-A283 WeakPolarHBondContact OG1-CA 3.36Å
270	G	91.2	Very high	94	Very high	10 Å²	10	49.5 Å²	49.5	10%	0.103	30%	0.304	C	S	.	.	S	Bend	trans	93.3	145.8	-170.5	0	0	0	0	0	112.5	Q280	G270-Q280 PolarHBondContact O-N 2.02Å
271	C	92.8	Very high	93.8	Very high	8 Å²	8	50 Å²	50	5%	0.054	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-153.7	158.9	-172.9	63.3	0	0	0	0	112.9	C264 C268 G273 E278	C264-C271 WeakPolarHBondContact CA-SG 3.35Å; C264-C271 HydrophobicContact CB-CB 3.65Å; C264-C271 WeakPolarHBondContact CB-SG 3.4Å; C264-C271 WeakPolarHBondContact SG-CB 3.26Å; C264-C271 PolarHBondContact SG-N 3.36Å; C264-C271 CovalentContact SG-SG 2.02Å; C264-C271 PolarHBondContact SG-SG 3.1Å; C268-C271 HydrophobicContact CB-CB 4.41Å; C271-G273 WeakPolarHBondContact CB-O 3.03Å; C271-G273 PolarHBondContact SG-O 2.84Å; C271-G273 VanDerWaalsContact SG-O 3.38Å; C271-E278 CarbonylContact C-O 3.14Å; C271-E278 VanDerWaalsContact CA-O 3.26Å; C271-E278 WeakPolarHBondContact CA-O 3.26Å; C271-E278 WeakPolarHBondContact CB-O 3.05Å
272	T	90.7	Very high	93.8	Very high	87 Å²	87	49.7 Å²	49.7	53%	0.534	31%	0.308	S	S	.	.	S	Bend	trans	-104.1	-10.4	169.6	44.9	0	0	0	0	112.6	E278 Q280	T272-E278 PolarHBondContact N-O 3.27Å; T272-E278 PolarHBondContact OG1-O 2.88Å; T272-E278 PolarHBondContact OG1-OE2 3.45Å; T272-Q280 HydrophobicContact CG2-CG 4.45Å
273	G	92.3	Very high	93.7	Very high	10 Å²	10	47.8 Å²	47.8	10%	0.103	30%	0.3	C	S	.	.	S	Bend	trans	-155.9	-179.2	-176.6	0	0	0	0	0	111.7	Y251 C271	Y251-G273 WeakPolarHBondContact CD1-O 2.97Å; C271-G273 WeakPolarHBondContact CB-O 3.03Å; C271-G273 PolarHBondContact SG-O 2.84Å; C271-G273 VanDerWaalsContact SG-O 3.38Å
274	G	91.7	Very high	93.7	Very high	37 Å²	37	54.4 Å²	54.4	38%	0.381	32%	0.318	S	S	.	.	S	Bend	trans	-88	-5.2	-173.9	0	0	0	0	0	115.8	Y251	Y251-G274 VanDerWaalsContact CZ-N 3.27Å; Y251-G274 WeakPolarHBondContact OH-CA 3.5Å
275	G	93.5	Very high	93.6	Very high	18 Å²	18	54 Å²	54	19%	0.186	32%	0.318	C	S	.	.	S	Bend	trans	-98.7	159.8	-177.3	0	0	0	0	0	112.9	D277 E278	G275-D277 WeakPolarHBondContact CA-OD1 3.46Å; G275-D277 PolarHBondContact O-N 3.2Å; G275-E278 PolarHBondContact O-N 3.28Å
276	P	93.4	Very high	93.6	Very high	41 Å²	41	53 Å²	53	27%	0.266	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10.9	174	29.2	-35.3	0	0	0	113.3	A267 C279 T292 C293	A267-P276 HydrophobicContact CB-CB 4.23Å; P276-C279 PolarHBondContact O-SG 3.27Å; P276-T292 HydrophobicContact CB-CG2 4.12Å; P276-T292 HydrophobicContact CG-CG2 4.03Å; P276-C293 WeakPolarHBondContact CB-O 3.27Å; P276-C293 PolarHBondContact O-N 2.79Å
277	D	94.9	Very high	93.6	Very high	93 Å²	93	51.7 Å²	51.7	50%	0.497	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-6.7	173.1	58.9	-35.3	0	0	0	113.9	G275 G291 T292	G275-D277 WeakPolarHBondContact CA-OD1 3.46Å; G275-D277 PolarHBondContact O-N 3.2Å; D277-G291 WeakPolarHBondContact CA-O 3.02Å; D277-T292 HydrophobicContact CB-CG2 4.29Å
278	E	94.3	Very high	93.7	Very high	86 Å²	86	56.8 Å²	56.8	40%	0.402	33%	0.332	S	S	.	.	S	Bend	trans	-113.1	23.8	179	-68	-72.7	161.5	0	0	111.3	C271 T272 G275	C271-E278 CarbonylContact C-O 3.14Å; C271-E278 VanDerWaalsContact CA-O 3.26Å; C271-E278 WeakPolarHBondContact CA-O 3.26Å; C271-E278 WeakPolarHBondContact CB-O 3.05Å; T272-E278 PolarHBondContact N-O 3.27Å; T272-E278 PolarHBondContact OG1-O 2.88Å; T272-E278 PolarHBondContact OG1-OE2 3.45Å; G275-E278 PolarHBondContact O-N 3.28Å
279	C	93.7	Very high	93.7	Very high	27 Å²	27	59.2 Å²	59.2	18%	0.182	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-75.9	138.4	174.7	-58.8	0	0	0	0	110.8	C268 P276 A281 C293	C268-C279 VanDerWaalsContact CA-SG 3.53Å; C268-C279 HydrophobicContact CB-CB 3.72Å; C268-C279 WeakPolarHBondContact CB-SG 3.37Å; C268-C279 VanDerWaalsContact SG-CA 3.51Å; C268-C279 WeakPolarHBondContact SG-CB 3.07Å; C268-C279 CovalentContact SG-SG 2.02Å; C268-C279 PolarHBondContact SG-SG 2.04Å; P276-C279 PolarHBondContact O-SG 3.27Å; C279-A281 VanDerWaalsContact C-N 3.34Å; C279-C293 VanDerWaalsContact CB-SG 3.58Å; C279-C293 PolarHBondContact SG-SG 3.47Å
280	Q	92.9	Very high	93.8	Very high	133 Å²	133	64.1 Å²	64.1	62%	0.621	36%	0.363	S	S	*	.	S	Bend	trans	-72.4	-34.2	166.3	-67.6	178.5	-13.2	0	0	111.3	G270 T272	G270-Q280 PolarHBondContact O-N 2.02Å; T272-Q280 HydrophobicContact CG2-CG 4.45Å
281	A	93.2	Very high	93.7	Very high	51 Å²	51	65.7 Å²	65.7	42%	0.421	38%	0.378	S	S	.	.	S	Bend	trans	-153.4	149.2	172.7	0	0	0	0	0	110	C268 T269 C279	C268-A281 WeakPolarHBondContact CA-O 3.11Å; T269-A281 PolarHBondContact N-O 2.78Å; C279-A281 VanDerWaalsContact C-N 3.34Å
282	C	96	Very high	93.9	Very high	37 Å²	37	67.6 Å²	67.6	25%	0.25	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-73.4	139.9	173.9	-55.4	0	0	0	0	111.3	A267 D288 C293	A267-C282 CarbonylContact O-C 3.48Å; A267-C282 WeakPolarHBondContact O-CA 3.12Å; C282-D288 PolarHBondContact SG-N 2.86Å; C282-C293 WeakPolarHBondContact CA-SG 3.48Å; C282-C293 HydrophobicContact CB-CB 3.84Å; C282-C293 WeakPolarHBondContact CB-SG 3.31Å; C282-C293 VanDerWaalsContact SG-CA 3.5Å; C282-C293 WeakPolarHBondContact SG-CB 3.11Å; C282-C293 CovalentContact SG-SG 2.04Å; C282-C293 PolarHBondContact SG-SG 3.3Å
283	A	94.9	Very high	94.2	Very high	16 Å²	16	63.9 Å²	63.9	13%	0.132	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-67.3	162.9	171.5	0	0	0	0	0	111.6	A267 T269 G285 Y286	A267-A283 PolarHBondContact O-N 3.38Å; T269-A283 WeakPolarHBondContact OG1-CA 3.36Å; A283-G285 PolarHBondContact O-N 2.91Å; A283-Y286 HydrophobicContact CB-CD2 4.04Å; A283-Y286 WeakPolarHBondContact O-CB 3.46Å; A283-Y286 PolarHBondContact O-N 2.83Å
284	E	94.3	Very high	94.3	Very high	187 Å²	187	65.7 Å²	65.7	87%	0.874	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	137.9	172.9	-64.8	-172.1	162.4	0	0	110.6	Y286	E284-Y286 VanDerWaalsContact C-N 3.32Å; E284-Y286 WeakPolarHBondContact O-CD2 3.37Å
285	G	93.1	Very high	94.6	Very high	18 Å²	18	65.9 Å²	65.9	19%	0.186	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-2.4	-172.7	0	0	0	0	0	114.6	A283 I296	A283-G285 PolarHBondContact O-N 2.91Å; G285-I296 WeakPolarHBondContact O-CB 3.46Å; G285-I296 PolarHBondContact O-N 3.23Å
286	Y	96.2	Very high	94.7	Very high	27 Å²	27	67.1 Å²	67.1	11%	0.106	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151.2	176.9	-61	-97.1	0	0	0	111.4	A267 A283 E284 T294 D295 G318	A267-Y286 HydrophobicContact CB-CD1 3.37Å; A267-Y286 HydrophobicContact CB-CD2 4.26Å; A267-Y286 HydrophobicContact CB-CE1 3.51Å; A267-Y286 HydrophobicContact CB-CE2 4.36Å; A267-Y286 HydrophobicContact CB-CG 3.78Å; A283-Y286 HydrophobicContact CB-CD2 4.04Å; A283-Y286 WeakPolarHBondContact O-CB 3.46Å; A283-Y286 PolarHBondContact O-N 2.83Å; E284-Y286 VanDerWaalsContact C-N 3.32Å; E284-Y286 WeakPolarHBondContact O-CD2 3.37Å; Y286-T294 CarbonylContact C-O 3.5Å; Y286-T294 VanDerWaalsContact CA-O 3.31Å; Y286-T294 WeakPolarHBondContact CA-O 3.28Å; Y286-D295 HydrophobicContact CD1-CB 4.27Å; Y286-D295 HydrophobicContact CE1-CB 4.16Å; Y286-G318 PolarHBondContact OH-N 3.46Å
287	Q	94.9	Very high	94.7	Very high	87 Å²	87	67.6 Å²	67.6	41%	0.407	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.6	177.2	58.6	177.6	-14.2	0	0	111.1	V289 C293 T294 I296	Q287-V289 HydrophobicContact CG-CG2 4.02Å; Q287-V289 PolarHBondContact O-N 3.19Å; Q287-C293 WeakPolarHBondContact O-CA 3.48Å; Q287-T294 PolarHBondContact N-O 2.96Å; Q287-T294 PolarHBondContact O-N 3.14Å; Q287-T294 PolarHBondContact O-OG1 3.08Å; Q287-I296 HydrophobicContact CB-CD1 4.04Å; Q287-I296 HydrophobicContact CB-CG1 3.71Å; Q287-I296 HydrophobicContact CG-CD1 4.5Å; Q287-I296 HydrophobicContact CG-CG1 3.64Å
288	D	95.8	Very high	94.7	Very high	108 Å²	108	64.9 Å²	64.9	58%	0.578	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	115.6	174	178.8	32.1	0	0	0	110.3	C282 G291 T292	C282-D288 PolarHBondContact SG-N 2.86Å; D288-G291 VanDerWaalsContact OD1-C 3.27Å; D288-G291 WeakPolarHBondContact OD1-CA 3.47Å; D288-G291 PolarHBondContact OD1-N 3.48Å; D288-T292 PolarHBondContact OD1-N 2.82Å
289	V	95.1	Very high	94.6	Very high	66 Å²	66	62.8 Å²	62.8	40%	0.4	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	104.6	174.2	178.1	0	0	0	0	107.7	Q287 G291 T292 T294	Q287-V289 HydrophobicContact CG-CG2 4.02Å; Q287-V289 PolarHBondContact O-N 3.19Å; V289-G291 VanDerWaalsContact C-N 3.26Å; V289-G291 PolarHBondContact O-N 3.29Å; V289-T292 PolarHBondContact N-O 2.8Å; V289-T292 PolarHBondContact O-N 3.33Å; V289-T292 VanDerWaalsContact O-N 3.08Å; V289-T294 HydrophobicContact CB-CG2 4.09Å; V289-T294 HydrophobicContact CG2-CG2 4.43Å; V289-T294 WeakPolarHBondContact CG2-OG1 3.02Å
290	E	94	Very high	94.5	Very high	200 Å²	200	65.8 Å²	65.8	94%	0.935	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	34.5	179.7	-56.3	-166.8	141.5	0	0	114.4
291	G	90.2	Very high	94.3	Very high	42 Å²	42	64.1 Å²	64.1	43%	0.433	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	5	-179.2	0	0	0	0	0	113.8	D277 D288 V289	D277-G291 WeakPolarHBondContact CA-O 3.02Å; D288-G291 VanDerWaalsContact OD1-C 3.27Å; D288-G291 WeakPolarHBondContact OD1-CA 3.47Å; D288-G291 PolarHBondContact OD1-N 3.48Å; V289-G291 VanDerWaalsContact C-N 3.26Å; V289-G291 PolarHBondContact O-N 3.29Å
292	T	95.9	Very high	93.7	Very high	48 Å²	48	67.2 Å²	67.2	29%	0.294	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.2	175	-55.1	0	0	0	0	110.2	P276 D277 D288 V289 T294	P276-T292 HydrophobicContact CB-CG2 4.12Å; P276-T292 HydrophobicContact CG-CG2 4.03Å; D277-T292 HydrophobicContact CB-CG2 4.29Å; D288-T292 PolarHBondContact OD1-N 2.82Å; V289-T292 PolarHBondContact N-O 2.8Å; V289-T292 PolarHBondContact O-N 3.33Å; V289-T292 VanDerWaalsContact O-N 3.08Å; T292-T294 HydrophobicContact CG2-CG2 4.28Å; T292-T294 PolarHBondContact O-N 3.42Å
293	C	97.1	Very high	93.2	Very high	9 Å²	9	71.4 Å²	71.4	6%	0.061	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	112.6	172.6	-65.1	0	0	0	0	109.8	A267 P276 C279 C282 Q287	A267-C293 HydrophobicContact CB-CB 3.81Å; P276-C293 WeakPolarHBondContact CB-O 3.27Å; P276-C293 PolarHBondContact O-N 2.79Å; C279-C293 VanDerWaalsContact CB-SG 3.58Å; C279-C293 PolarHBondContact SG-SG 3.47Å; C282-C293 WeakPolarHBondContact CA-SG 3.48Å; C282-C293 HydrophobicContact CB-CB 3.84Å; C282-C293 WeakPolarHBondContact CB-SG 3.31Å; C282-C293 VanDerWaalsContact SG-CA 3.5Å; C282-C293 WeakPolarHBondContact SG-CB 3.11Å; C282-C293 CovalentContact SG-SG 2.04Å; C282-C293 PolarHBondContact SG-SG 3.3Å; Q287-C293 WeakPolarHBondContact O-CA 3.48Å
294	T	96.3	Very high	92.5	Very high	48 Å²	48	75.7 Å²	75.7	29%	0.294	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.9	179.7	60.1	0	0	0	0	109.8	Y286 Q287 V289 T292 I296	Y286-T294 CarbonylContact C-O 3.5Å; Y286-T294 VanDerWaalsContact CA-O 3.31Å; Y286-T294 WeakPolarHBondContact CA-O 3.28Å; Q287-T294 PolarHBondContact N-O 2.96Å; Q287-T294 PolarHBondContact O-N 3.14Å; Q287-T294 PolarHBondContact O-OG1 3.08Å; V289-T294 HydrophobicContact CB-CG2 4.09Å; V289-T294 HydrophobicContact CG2-CG2 4.43Å; V289-T294 WeakPolarHBondContact CG2-OG1 3.02Å; T292-T294 HydrophobicContact CG2-CG2 4.28Å; T292-T294 PolarHBondContact O-N 3.42Å; T294-I296 PolarHBondContact O-N 3.38Å
295	D	96.8	Very high	92.2	Very high	42 Å²	42	68 Å²	68	23%	0.225	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	132.9	176.6	-176.6	60.2	0	0	0	111.1	Y286 D297 N315 K317 G318	Y286-D295 HydrophobicContact CD1-CB 4.27Å; Y286-D295 HydrophobicContact CE1-CB 4.16Å; D295-D297 PolarHBondContact O-N 3.07Å; D295-N315 PolarHBondContact OD2-ND2 2.71Å; D295-K317 WeakPolarHBondContact OD1-CA 3.48Å; D295-G318 PolarHBondContact OD1-N 2.94Å
296	I	95.4	Very high	92	Very high	44 Å²	44	68.2 Å²	68.2	23%	0.226	40%	0.395	C	S	.	.			trans	-80.9	110.9	173.4	-62	169.7	0	0	0	106.8	G285 Q287 T294 E298	G285-I296 WeakPolarHBondContact O-CB 3.46Å; G285-I296 PolarHBondContact O-N 3.23Å; Q287-I296 HydrophobicContact CB-CD1 4.04Å; Q287-I296 HydrophobicContact CB-CG1 3.71Å; Q287-I296 HydrophobicContact CG-CD1 4.5Å; Q287-I296 HydrophobicContact CG-CG1 3.64Å; T294-I296 PolarHBondContact O-N 3.38Å; I296-E298 HydrophobicContact CG2-CG 4.2Å; I296-E298 PolarHBondContact O-N 3.3Å
297	D	94.5	Very high	91.6	Very high	51 Å²	51	73.5 Å²	73.5	27%	0.273	43%	0.43	S	S	.	.			trans	-74.1	94.4	171.5	-178	-8.4	0	0	0	109.8	D295 C299 S300 Q301	D295-D297 PolarHBondContact O-N 3.07Å; D297-C299 PolarHBondContact O-N 3.32Å; D297-C299 WeakPolarHBondContact OD1-CA 3.48Å; D297-C299 WeakPolarHBondContact OD1-CB 3.27Å; D297-C299 PolarHBondContact OD1-N 2.74Å; D297-S300 VanDerWaalsContact CG-CB 3.49Å; D297-S300 VanDerWaalsContact CG-OG 3.24Å; D297-S300 PolarHBondContact O-N 2.97Å; D297-S300 PolarHBondContact OD1-N 3.04Å; D297-S300 VanDerWaalsContact OD2-CB 3.3Å; D297-S300 WeakPolarHBondContact OD2-CB 3.3Å; D297-S300 PolarHBondContact OD2-OG 3.42Å; D297-Q301 WeakPolarHBondContact O-CG 3.44Å; D297-Q301 PolarHBondContact O-NE2 3.28Å
298	E	94.4	Very high	91.2	Very high	35 Å²	35	74.7 Å²	74.7	16%	0.164	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-68.3	-25.8	179.6	-57.4	93	163.2	0	0	112.4	I296 S300 Q301 A305 N315 F320	I296-E298 HydrophobicContact CG2-CG 4.2Å; I296-E298 PolarHBondContact O-N 3.3Å; E298-S300 VanDerWaalsContact C-N 3.25Å; E298-S300 PolarHBondContact O-N 3.42Å; E298-Q301 PolarHBondContact O-N 2.85Å; E298-A305 HydrophobicContact CB-CB 3.99Å; E298-N315 PolarHBondContact OE2-OD1 3.06Å; E298-F320 HydrophobicContact CB-CB 4.48Å; E298-F320 HydrophobicContact CB-CD1 3.7Å; E298-F320 HydrophobicContact CB-CE1 4.21Å; E298-F320 HydrophobicContact CB-CG 4.2Å; E298-F320 HydrophobicContact CG-CD1 3.77Å; E298-F320 HydrophobicContact CG-CE1 4.21Å
299	C	92.9	Very high	90.8	Very high	43 Å²	43	77.3 Å²	77.3	29%	0.291	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-70.3	-24.7	177.2	-55.8	0	0	0	0	112.4	D297 C313 V314 N315	D297-C299 PolarHBondContact O-N 3.32Å; D297-C299 WeakPolarHBondContact OD1-CA 3.48Å; D297-C299 WeakPolarHBondContact OD1-CB 3.27Å; D297-C299 PolarHBondContact OD1-N 2.74Å; C299-C313 WeakPolarHBondContact CA-SG 3.48Å; C299-C313 HydrophobicContact CB-CB 3.72Å; C299-C313 WeakPolarHBondContact CB-SG 3.07Å; C299-C313 WeakPolarHBondContact SG-CB 3.09Å; C299-C313 CovalentContact SG-SG 2.04Å; C299-C313 PolarHBondContact SG-SG 3.3Å; C299-V314 VanDerWaalsContact SG-C 3.52Å; C299-V314 PolarHBondContact SG-N 2.63Å; C299-N315 PolarHBondContact SG-N 3.42Å
300	S	91.7	Very high	90.5	Very high	89 Å²	89	77 Å²	77	62%	0.622	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-92.9	0.5	176.8	-68.5	0	0	0	0	113.8	D297 E298	D297-S300 VanDerWaalsContact CG-CB 3.49Å; D297-S300 VanDerWaalsContact CG-OG 3.24Å; D297-S300 PolarHBondContact O-N 2.97Å; D297-S300 PolarHBondContact OD1-N 3.04Å; D297-S300 VanDerWaalsContact OD2-CB 3.3Å; D297-S300 WeakPolarHBondContact OD2-CB 3.3Å; D297-S300 PolarHBondContact OD2-OG 3.42Å; E298-S300 VanDerWaalsContact C-N 3.25Å; E298-S300 PolarHBondContact O-N 3.42Å
301	Q	87.6	Confident	90.3	Very high	99 Å²	99	69.7 Å²	69.7	46%	0.463	40%	0.404	S	S	.	.	S	Bend	trans	-77.3	162.8	177.3	-60.6	-60.4	-36.2	0	0	112.3	D297 E298 D303	D297-Q301 WeakPolarHBondContact O-CG 3.44Å; D297-Q301 PolarHBondContact O-NE2 3.28Å; E298-Q301 PolarHBondContact O-N 2.85Å; Q301-D303 VanDerWaalsContact C-N 3.29Å; Q301-D303 PolarHBondContact O-N 3.32Å
302	S	81	Confident	90.3	Very high	115 Å²	115	72.5 Å²	72.5	80%	0.804	41%	0.407	S	S	*	.	S	Bend	trans	-69.6	-26.1	178.5	54.5	0	0	0	0	113.9
303	D	84.9	Confident	90.2	Very high	125 Å²	125	71.9 Å²	71.9	67%	0.668	40%	0.404	S	S	*	.	S	Bend	trans	-92	134.1	177.5	-68.5	-43.2	0	0	0	109.9	Q301 A305	Q301-D303 VanDerWaalsContact C-N 3.29Å; Q301-D303 PolarHBondContact O-N 3.32Å; D303-A305 PolarHBondContact O-N 2.86Å; D303-A305 VanDerWaalsContact O-N 3.13Å
304	P	81.3	Confident	90.1	Very high	106 Å²	106	74.5 Å²	74.5	69%	0.688	42%	0.419	S	S	*	.			trans	-67.1	114.5	-177.9	25.1	-31.7	0	0	0	110.9	C306	P304-C306 VanDerWaalsContact C-N 3.33Å; P304-C306 PolarHBondContact O-N 2.67Å
305	A	87.6	Confident	90	Very high	27 Å²	27	74.7 Å²	74.7	22%	0.223	42%	0.419	C	S	.	.	S	Bend	trans	-62.8	-37.8	176.7	0	0	0	0	0	112.5	E298 D303 F320	E298-A305 HydrophobicContact CB-CB 3.99Å; D303-A305 PolarHBondContact O-N 2.86Å; D303-A305 VanDerWaalsContact O-N 3.13Å; A305-F320 HydrophobicContact CB-CD1 4.46Å; A305-F320 HydrophobicContact CB-CD2 3.84Å; A305-F320 HydrophobicContact CB-CE1 4.35Å; A305-F320 HydrophobicContact CB-CE2 3.71Å; A305-F320 HydrophobicContact CB-CG 4.21Å; A305-F320 HydrophobicContact CB-CZ 3.98Å; A305-F320 VanDerWaalsContact O-CE2 3.25Å; A305-F320 WeakPolarHBondContact O-CE2 3.48Å; A305-F320 WeakPolarHBondContact O-CZ 3.49Å
306	C	89.3	Confident	89.9	Confident	22 Å²	22	74.5 Å²	74.5	15%	0.149	42%	0.42	C	S	.	.			trans	-96.8	124.6	175.1	-57.6	0	0	0	0	111.1	P304 Q311 C313 C322	P304-C306 VanDerWaalsContact C-N 3.33Å; P304-C306 PolarHBondContact O-N 2.67Å; C306-Q311 HydrophobicContact CB-CB 4.16Å; C306-C313 VanDerWaalsContact SG-CB 3.59Å; C306-C322 WeakPolarHBondContact CA-SG 3.02Å; C306-C322 HydrophobicContact CB-CB 3.94Å; C306-C322 WeakPolarHBondContact CB-SG 3.04Å; C306-C322 VanDerWaalsContact SG-CA 3.59Å; C306-C322 WeakPolarHBondContact SG-CB 3.33Å; C306-C322 CovalentContact SG-SG 2.03Å; C306-C322 PolarHBondContact SG-SG 3.47Å
307	V	87.6	Confident	89.8	Confident	137 Å²	137	79.5 Å²	79.5	83%	0.83	44%	0.44	S	S	*	.			trans	-94.2	-21.1	-173.4	-174.5	0	0	0	0	113
308	K	86.8	Confident	89.6	Confident	112 Å²	112	78.1 Å²	78.1	49%	0.487	44%	0.438	S	S	.	.	S	Bend	trans	-90	151.2	-175.3	-55.5	177.2	178.1	175.3	0	111.7	Q311 G333	K308-Q311 HydrophobicContact CB-CG 4.19Å; K308-G333 WeakPolarHBondContact CD-O 3.18Å; K308-G333 PolarHBondContact NZ-O 2.95Å
309	E	85.9	Confident	89.6	Confident	163 Å²	163	79.3 Å²	79.3	76%	0.762	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	151	178.7	-62.7	-161.6	158.5	0	0	112.5	Q311	E309-Q311 PolarHBondContact O-N 3.45Å
310	N	88.8	Confident	89.7	Confident	61 Å²	61	80.5 Å²	80.5	33%	0.326	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	30.7	179.8	-44	-59.4	0	0	0	114	S325 Y328 C335	N310-S325 VanDerWaalsContact C-OG 3.3Å; N310-S325 PolarHBondContact O-N 3.31Å; N310-S325 PolarHBondContact O-OG 3.2Å; N310-Y328 HydrophobicContact CB-CD1 3.6Å; N310-Y328 HydrophobicContact CB-CD2 4.24Å; N310-Y328 HydrophobicContact CB-CE1 3.63Å; N310-Y328 HydrophobicContact CB-CE2 4.29Å; N310-Y328 HydrophobicContact CB-CG 3.93Å; N310-Y328 WeakPolarHBondContact ND2-CE1 3.4Å; N310-Y328 PolarHBondContact OD1-OH 2.95Å; N310-C335 HydrophobicContact CB-CB 3.99Å; N310-C335 WeakPolarHBondContact O-CB 3.4Å
311	Q	90.7	Very high	89.8	Confident	45 Å²	45	80.9 Å²	80.9	21%	0.21	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	145.2	170.5	-69	-169.6	-30.8	0	0	111.4	C306 K308 E309 C322 I323	C306-Q311 HydrophobicContact CB-CB 4.16Å; K308-Q311 HydrophobicContact CB-CG 4.19Å; E309-Q311 PolarHBondContact O-N 3.45Å; Q311-C322 HydrophobicContact CB-CB 4.43Å; Q311-I323 CarbonylContact C-O 3.57Å; Q311-I323 VanDerWaalsContact CA-O 3.27Å; Q311-I323 WeakPolarHBondContact CA-O 3.47Å
312	E	90.9	Very high	90	Very high	102 Å²	102	78 Å²	78	48%	0.477	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.2	169.6	-176	171.5	-172.7	0	0	108.8	C322 I323	E312-C322 WeakPolarHBondContact O-CA 3.27Å; E312-I323 HydrophobicContact CB-CG1 4.22Å; E312-I323 PolarHBondContact N-O 2.04Å; E312-I323 PolarHBondContact O-N 2.76Å
313	C	93.5	Very high	90.6	Very high	35 Å²	35	76.3 Å²	76.3	24%	0.236	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.2	178.3	-171.8	0	0	0	0	110	C299 C306	C299-C313 WeakPolarHBondContact CA-SG 3.48Å; C299-C313 HydrophobicContact CB-CB 3.72Å; C299-C313 WeakPolarHBondContact CB-SG 3.07Å; C299-C313 WeakPolarHBondContact SG-CB 3.09Å; C299-C313 CovalentContact SG-SG 2.04Å; C299-C313 PolarHBondContact SG-SG 3.3Å; C306-C313 VanDerWaalsContact SG-CB 3.59Å
314	V	94.2	Very high	91	Very high	63 Å²	63	71.7 Å²	71.7	38%	0.382	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	114.6	173.4	-179.3	0	0	0	0	108.2	C299 I321 I323	C299-V314 VanDerWaalsContact SG-C 3.52Å; C299-V314 PolarHBondContact SG-N 2.63Å; V314-I321 PolarHBondContact N-O 3.13Å; V314-I321 PolarHBondContact O-N 2.89Å; V314-I323 HydrophobicContact CG2-CD1 3.66Å; V314-I323 HydrophobicContact CG2-CG1 3.89Å
315	N	94.3	Very high	91.4	Very high	53 Å²	53	68.1 Å²	68.1	28%	0.283	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	139	178	-170.3	44.1	0	0	0	110.5	D295 E298 C299	D295-N315 PolarHBondContact OD2-ND2 2.71Å; E298-N315 PolarHBondContact OE2-OD1 3.06Å; C299-N315 PolarHBondContact SG-N 3.42Å
316	S	93.8	Very high	91.5	Very high	38 Å²	38	72.4 Å²	72.4	27%	0.266	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	165	176.5	62.5	0	0	0	0	109.7	G318 S319	S316-G318 PolarHBondContact O-N 2.04Å; S316-S319 CarbonylContact C-O 3.49Å; S316-S319 VanDerWaalsContact CA-O 3.27Å; S316-S319 WeakPolarHBondContact CA-O 3.47Å; S316-S319 WeakPolarHBondContact CB-O 3.25Å; S316-S319 PolarHBondContact N-O 3.29Å; S316-S319 PolarHBondContact O-N 3.49Å; S316-S319 PolarHBondContact OG-O 2.8Å
317	K	93.8	Very high	91.4	Very high	148 Å²	148	73 Å²	73	64%	0.643	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	123.3	-178.6	-69.6	-169.3	176	-176.2	0	111.5	E266 D295 S319	E266-K317 WeakPolarHBondContact OE1-CD 3.03Å; E266-K317 IonicContact OE1-NZ 3.45Å; E266-K317 PolarHBondContact OE1-NZ 3.06Å; D295-K317 WeakPolarHBondContact OD1-CA 3.48Å; K317-S319 PolarHBondContact O-N 2.03Å
318	G	91.6	Very high	91.4	Very high	22 Å²	22	69.7 Å²	69.7	23%	0.227	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	6.8	-178.6	0	0	0	0	0	114.5	Y286 D295 S316	Y286-G318 PolarHBondContact OH-N 3.46Å; D295-G318 PolarHBondContact OD1-N 2.94Å; S316-G318 PolarHBondContact O-N 2.04Å
319	S	93.9	Very high	91.5	Very high	60 Å²	60	69 Å²	69	42%	0.42	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	-173.6	-179.2	-155.9	0	0	0	0	112.6	S316 K317	S316-S319 CarbonylContact C-O 3.49Å; S316-S319 VanDerWaalsContact CA-O 3.27Å; S316-S319 WeakPolarHBondContact CA-O 3.47Å; S316-S319 WeakPolarHBondContact CB-O 3.25Å; S316-S319 PolarHBondContact N-O 3.29Å; S316-S319 PolarHBondContact O-N 3.49Å; S316-S319 PolarHBondContact OG-O 2.8Å; K317-S319 PolarHBondContact O-N 2.03Å
320	F	93.8	Very high	91.6	Very high	68 Å²	68	67.9 Å²	67.9	30%	0.298	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	157.9	173.2	62.4	-81.6	0	0	0	111.4	E298 A305	E298-F320 HydrophobicContact CB-CB 4.48Å; E298-F320 HydrophobicContact CB-CD1 3.7Å; E298-F320 HydrophobicContact CB-CE1 4.21Å; E298-F320 HydrophobicContact CB-CG 4.2Å; E298-F320 HydrophobicContact CG-CD1 3.77Å; E298-F320 HydrophobicContact CG-CE1 4.21Å; A305-F320 HydrophobicContact CB-CD1 4.46Å; A305-F320 HydrophobicContact CB-CD2 3.84Å; A305-F320 HydrophobicContact CB-CE1 4.35Å; A305-F320 HydrophobicContact CB-CE2 3.71Å; A305-F320 HydrophobicContact CB-CG 4.21Å; A305-F320 HydrophobicContact CB-CZ 3.98Å; A305-F320 VanDerWaalsContact O-CE2 3.25Å; A305-F320 WeakPolarHBondContact O-CE2 3.48Å; A305-F320 WeakPolarHBondContact O-CZ 3.49Å
321	I	93.7	Very high	91.6	Very high	98 Å²	98	70.3 Å²	70.3	50%	0.503	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.5	176.4	-56.7	175	0	0	0	108.9	V314 I323	V314-I321 PolarHBondContact N-O 3.13Å; V314-I321 PolarHBondContact O-N 2.89Å; I321-I323 HydrophobicContact CG2-CG2 4Å
322	C	93.2	Very high	91.2	Very high	39 Å²	39	76.6 Å²	76.6	26%	0.264	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	115.6	172.5	-59.6	0	0	0	0	109.8	C306 Q311 E312	C306-C322 WeakPolarHBondContact CA-SG 3.02Å; C306-C322 HydrophobicContact CB-CB 3.94Å; C306-C322 WeakPolarHBondContact CB-SG 3.04Å; C306-C322 VanDerWaalsContact SG-CA 3.59Å; C306-C322 WeakPolarHBondContact SG-CB 3.33Å; C306-C322 CovalentContact SG-SG 2.03Å; C306-C322 PolarHBondContact SG-SG 3.47Å; Q311-C322 HydrophobicContact CB-CB 4.43Å; E312-C322 WeakPolarHBondContact O-CA 3.27Å
323	I	93.3	Very high	90.7	Very high	79 Å²	79	72.6 Å²	72.6	41%	0.405	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	157.3	176.7	63.3	172.7	0	0	0	110.5	Q311 E312 V314 I321	Q311-I323 CarbonylContact C-O 3.57Å; Q311-I323 VanDerWaalsContact CA-O 3.27Å; Q311-I323 WeakPolarHBondContact CA-O 3.47Å; E312-I323 HydrophobicContact CB-CG1 4.22Å; E312-I323 PolarHBondContact N-O 2.04Å; E312-I323 PolarHBondContact O-N 2.76Å; V314-I323 HydrophobicContact CG2-CD1 3.66Å; V314-I323 HydrophobicContact CG2-CG1 3.89Å; I321-I323 HydrophobicContact CG2-CG2 4Å
324	C	92.9	Very high	90.3	Very high	28 Å²	28	77.3 Å²	77.3	19%	0.189	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	136.1	174.6	-65.4	0	0	0	0	111.2	E330 C335	C324-E330 PolarHBondContact SG-N 3.44Å; C324-E330 VanDerWaalsContact SG-N 3.44Å; C324-C335 WeakPolarHBondContact CA-SG 3.46Å; C324-C335 HydrophobicContact CB-CB 3.75Å; C324-C335 WeakPolarHBondContact CB-SG 3.04Å; C324-C335 WeakPolarHBondContact SG-CA 3.31Å; C324-C335 WeakPolarHBondContact SG-CB 3.34Å; C324-C335 CovalentContact SG-SG 2.04Å; C324-C335 PolarHBondContact SG-SG 2.69Å
325	S	91.1	Very high	90	Very high	31 Å²	31	74.9 Å²	74.9	22%	0.217	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-59.2	157.6	177.1	-57.1	0	0	0	0	111.4	N310 G327 Y328	N310-S325 VanDerWaalsContact C-OG 3.3Å; N310-S325 PolarHBondContact O-N 3.31Å; N310-S325 PolarHBondContact O-OG 3.2Å; S325-G327 PolarHBondContact O-N 2.91Å; S325-Y328 WeakPolarHBondContact O-CB 3.49Å; S325-Y328 PolarHBondContact O-N 3.24Å
326	S	89.8	Confident	89.8	Confident	116 Å²	116	75 Å²	75	81%	0.811	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	127	178.7	-70.2	0	0	0	0	112.3
327	G	86.9	Confident	89.5	Confident	36 Å²	36	79.7 Å²	79.7	37%	0.371	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	7.8	-176.1	0	0	0	0	0	114.8	S325 Q337 Q338	S325-G327 PolarHBondContact O-N 2.91Å; G327-Q337 CarbonylContact O-C 3.55Å; G327-Q337 WeakPolarHBondContact O-CA 3.44Å; G327-Q338 PolarHBondContact O-N 2.93Å
328	Y	87.3	Confident	88.7	Confident	67 Å²	67	78 Å²	78	26%	0.263	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	149.2	173.5	-66.5	-107	0	0	0	111	N310 S325 C335 V336 Q337	N310-Y328 HydrophobicContact CB-CD1 3.6Å; N310-Y328 HydrophobicContact CB-CD2 4.24Å; N310-Y328 HydrophobicContact CB-CE1 3.63Å; N310-Y328 HydrophobicContact CB-CE2 4.29Å; N310-Y328 HydrophobicContact CB-CG 3.93Å; N310-Y328 WeakPolarHBondContact ND2-CE1 3.4Å; N310-Y328 PolarHBondContact OD1-OH 2.95Å; S325-Y328 WeakPolarHBondContact O-CB 3.49Å; S325-Y328 PolarHBondContact O-N 3.24Å; Y328-C335 HydrophobicContact CD1-CB 4.37Å; Y328-C335 WeakPolarHBondContact CD1-O 3.45Å; Y328-V336 CarbonylContact C-O 3.6Å; Y328-V336 WeakPolarHBondContact CA-O 3.41Å; Y328-V336 VanDerWaalsContact CD1-C 3.47Å; Y328-Q337 HydrophobicContact CD1-CB 4.19Å; Y328-Q337 HydrophobicContact CE1-CB 3.92Å; Y328-Q337 HydrophobicContact CE1-CG 4.5Å
329	E	88.9	Confident	87.7	Confident	97 Å²	97	81.9 Å²	81.9	45%	0.453	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.8	177.8	-170.8	-177	-159.5	0	0	109.9	K331 V336 Q338	E329-K331 PolarHBondContact O-N 2.84Å; E329-K331 WeakPolarHBondContact OE2-CE 3.2Å; E329-K331 IonicContact OE2-NZ 2.8Å; E329-K331 PolarHBondContact OE2-NZ 2.83Å; E329-V336 PolarHBondContact N-O 3.47Å; E329-V336 PolarHBondContact O-N 3.45Å; E329-Q338 HydrophobicContact CB-CG 4.47Å
330	E	87.9	Confident	85.8	Confident	140 Å²	140	86.1 Å²	86.1	65%	0.654	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	119.1	177.3	-170.8	-177.9	173.9	0	0	110.5	C324 E334	C324-E330 PolarHBondContact SG-N 3.44Å; C324-E330 VanDerWaalsContact SG-N 3.44Å; E330-E334 WeakPolarHBondContact CA-O 3.49Å
331	K	87.6	Confident	83.8	Confident	111 Å²	111	91.8 Å²	91.8	48%	0.483	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	123.9	170.6	-64.3	-168.5	-171.8	163.7	0	109.5	E329 G333 E334 V336	E329-K331 PolarHBondContact O-N 2.84Å; E329-K331 WeakPolarHBondContact OE2-CE 3.2Å; E329-K331 IonicContact OE2-NZ 2.8Å; E329-K331 PolarHBondContact OE2-NZ 2.83Å; K331-G333 PolarHBondContact O-N 3.47Å; K331-G333 VanDerWaalsContact O-N 3.13Å; K331-E334 PolarHBondContact N-O 3.36Å; K331-E334 PolarHBondContact O-N 3.13Å; K331-E334 VanDerWaalsContact O-O 3.11Å; K331-V336 HydrophobicContact CB-CG2 4.11Å; K331-V336 HydrophobicContact CD-CG2 3.68Å; K331-V336 HydrophobicContact CG-CG2 3.82Å
332	D	84.1	Confident	81.4	Confident	178 Å²	178	95.6 Å²	95.6	95%	0.952	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	32.5	-178.9	-60.9	-43.7	0	0	0	114.2	E334	D332-E334 VanDerWaalsContact C-N 3.35Å
333	G	78.9	Confident	79	Confident	17 Å²	17	103.4 Å²	103.4	18%	0.175	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	12.4	-178.4	0	0	0	0	0	114.7	K308 K331	K308-G333 WeakPolarHBondContact CD-O 3.18Å; K308-G333 PolarHBondContact NZ-O 2.95Å; K331-G333 PolarHBondContact O-N 3.47Å; K331-G333 VanDerWaalsContact O-N 3.13Å
334	E	84.9	Confident	76.5	Confident	135 Å²	135	107.5 Å²	107.5	63%	0.631	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-121.6	150.1	173.1	-63.5	-169.8	159.2	0	0	111	E330 K331 D332	E330-E334 WeakPolarHBondContact CA-O 3.49Å; K331-E334 PolarHBondContact N-O 3.36Å; K331-E334 PolarHBondContact O-N 3.13Å; K331-E334 VanDerWaalsContact O-O 3.11Å; D332-E334 VanDerWaalsContact C-N 3.35Å
335	C	89.6	Confident	74.1	Confident	12 Å²	12	111.4 Å²	111.4	8%	0.081	58%	0.583	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.8	113.7	179.2	-66.6	0	0	0	0	110.3	N310 C324 Y328	N310-C335 HydrophobicContact CB-CB 3.99Å; N310-C335 WeakPolarHBondContact O-CB 3.4Å; C324-C335 WeakPolarHBondContact CA-SG 3.46Å; C324-C335 HydrophobicContact CB-CB 3.75Å; C324-C335 WeakPolarHBondContact CB-SG 3.04Å; C324-C335 WeakPolarHBondContact SG-CA 3.31Å; C324-C335 WeakPolarHBondContact SG-CB 3.34Å; C324-C335 CovalentContact SG-SG 2.04Å; C324-C335 PolarHBondContact SG-SG 2.69Å; Y328-C335 HydrophobicContact CD1-CB 4.37Å; Y328-C335 WeakPolarHBondContact CD1-O 3.45Å
336	V	88.9	Confident	71.6	Confident	54 Å²	54	119.5 Å²	119.5	33%	0.327	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.3	141.2	-179.8	-58.9	0	0	0	0	111.4	Y328 E329 K331 Q338	Y328-V336 CarbonylContact C-O 3.6Å; Y328-V336 WeakPolarHBondContact CA-O 3.41Å; Y328-V336 VanDerWaalsContact CD1-C 3.47Å; E329-V336 PolarHBondContact N-O 3.47Å; E329-V336 PolarHBondContact O-N 3.45Å; K331-V336 HydrophobicContact CB-CG2 4.11Å; K331-V336 HydrophobicContact CD-CG2 3.68Å; K331-V336 HydrophobicContact CG-CG2 3.82Å; V336-Q338 PolarHBondContact O-N 2.77Å
337	Q	86.9	Confident	69.4	Low	138 Å²	138	118.8 Å²	118.8	65%	0.645	62%	0.619	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-63.8	134	-176.5	-165.4	178.9	13.9	0	0	111.3	G327 Y328 S339	G327-Q337 CarbonylContact O-C 3.55Å; G327-Q337 WeakPolarHBondContact O-CA 3.44Å; Y328-Q337 HydrophobicContact CD1-CB 4.19Å; Y328-Q337 HydrophobicContact CE1-CB 3.92Å; Y328-Q337 HydrophobicContact CE1-CG 4.5Å; Q337-S339 PolarHBondContact O-N 3.36Å
338	Q	78.4	Confident	67	Low	111 Å²	111	122.1 Å²	122.1	52%	0.519	64%	0.637	S	S	.	*			trans	-65	122.8	168.3	-70.9	-178.1	-11.7	0	0	108.4	G327 E329 V336 D340	G327-Q338 PolarHBondContact O-N 2.93Å; E329-Q338 HydrophobicContact CB-CG 4.47Å; V336-Q338 PolarHBondContact O-N 2.77Å; Q338-D340 PolarHBondContact O-N 3.25Å
339	S	69.5	Low	64.6	Low	105 Å²	105	127.8 Å²	127.8	73%	0.734	67%	0.665	S	S	*	*			trans	-70.6	113.5	170.3	50.2	0	0	0	0	108.8	Q337 E341	Q337-S339 PolarHBondContact O-N 3.36Å; S339-E341 PolarHBondContact O-N 2.89Å
340	D	53.9	Low	62.1	Low	149 Å²	149	129.3 Å²	129.3	80%	0.797	68%	0.681	S	S	*	*			trans	-57.5	95.4	170.8	-67.9	-46.4	0	0	0	110.3	Q338 K342	Q338-D340 PolarHBondContact O-N 3.25Å; D340-K342 PolarHBondContact O-N 3.23Å
341	E	52.1	Low	59.8	Low	186 Å²	186	128.7 Å²	128.7	87%	0.869	69%	0.687	S	S	*	*			trans	-76.6	99.2	156.8	-75.8	-169.7	171.4	0	0	107.5	S339 E343	S339-E341 PolarHBondContact O-N 2.89Å; E341-E343 PolarHBondContact O-N 3.49Å; E341-E343 VanDerWaalsContact O-N 3.14Å
342	K	42.6	Very low	58.3	Low	179 Å²	179	129.3 Å²	129.3	78%	0.778	70%	0.703	S	S	*	*			trans	-50.6	112.1	169.2	-69.4	174.8	173.9	-177.4	0	110.5	D340 E344	D340-K342 PolarHBondContact O-N 3.23Å; K342-E344 PolarHBondContact O-N 3.38Å
343	E	44.1	Very low	55.9	Low	202 Å²	202	124.3 Å²	124.3	94%	0.944	69%	0.693	S	S	*	*			trans	-78.1	94.9	149.2	-91.5	-167.2	158.3	0	0	107.9	E341 S345	E341-E343 PolarHBondContact O-N 3.49Å; E341-E343 VanDerWaalsContact O-N 3.14Å; E343-S345 PolarHBondContact O-N 3.14Å
344	E	40.9	Very low	54.5	Low	166 Å²	166	129.5 Å²	129.5	78%	0.776	72%	0.724	S	S	*	*			trans	-74.7	119.1	171.7	-155.4	162.8	-142.8	0	0	108.7	K342 E346	K342-E344 PolarHBondContact O-N 3.38Å; E344-E346 PolarHBondContact O-N 3.21Å
345	S	41.5	Very low	52.2	Low	110 Å²	110	131.1 Å²	131.1	77%	0.769	73%	0.731	S	S	*	*			trans	-61.5	119.2	172.5	54.7	0	0	0	0	111.5	E343	E343-S345 PolarHBondContact O-N 3.14Å
346	E	39.1	Very low	49.9	Very low	200 Å²	200	140.3 Å²	140.3	94%	0.935	76%	0.764	S	S	*	*			trans	-94.4	104.3	155.9	-83.8	-168.3	155.9	0	0	109.5	E344	E344-E346 PolarHBondContact O-N 3.21Å
347	A	43.5	Very low	47.6	Very low	102 Å²	102	144.9 Å²	144.9	84%	0.843	78%	0.782	S	S	*	*			trans	-88	124.8	162.8	0	0	0	0	0	108.9
348	S	37.3	Very low	45.4	Very low	106 Å²	106	150.1 Å²	150.1	74%	0.741	81%	0.813	S	S	*	*			trans	-132.1	110.6	163.7	-170.6	0	0	0	0	111.5
349	E	36.3	Very low	43.7	Very low	186 Å²	186	152.1 Å²	152.1	87%	0.869	83%	0.828	S	S	*	*			trans	58.4	118.2	146	-67.3	-173	150.4	0	0	123.5
350	T	37.1	Very low	42.3	Very low	128 Å²	128	154.6 Å²	154.6	79%	0.785	83%	0.833	S	S	*	*			trans	-67.9	136.7	164.1	-4.7	0	0	0	0	115.1
351	T	38.1	Very low	41.7	Very low	127 Å²	127	154.9 Å²	154.9	78%	0.779	84%	0.835	S	S	*	*				153.1	173	109.6	56	0	0	0	0	112.3
352	P	55.6	Low	41.1	Very low	125 Å²	125	153.1 Å²	153.1	81%	0.812	83%	0.833	S	S	*	*				-133.6	161.8	-92.3	34.3	-11.3	0	0	0	117.3
353	G	35.3	Very low	41	Very low	73 Å²	73	151.4 Å²	151.4	75%	0.753	84%	0.836	S	S	*	*			trans	99.5	170.7	152.3	0	0	0	0	0	117.4
354	P	48.4	Very low	40.8	Very low	125 Å²	125	148.1 Å²	148.1	81%	0.812	83%	0.829	S	S	*	*			cis	-128.7	174.5	-25.5	39.1	-22.5	0	0	0	113.5
355	H	37.7	Very low	40.8	Very low	170 Å²	170	146.8 Å²	146.8	79%	0.787	83%	0.833	S	S	*	*			trans	20.3	126	149.1	-98.1	-81	0	0	0	122.3
356	R	40.3	Very low	40.7	Very low	205 Å²	205	149.6 Å²	149.6	77%	0.774	84%	0.838	S	S	*	*				69	140.6	123.3	-141	-164.5	164	133.4	2.9	121.5
357	E	40.8	Very low	40.9	Very low	150 Å²	150	145.4 Å²	145.4	70%	0.701	83%	0.829	S	S	*	*			trans	79.4	125.8	162.8	-46.7	-165.2	151.2	0	0	114.8
358	L	40.1	Very low	40.6	Very low	248 Å²	248	149.4 Å²	149.4	100%	1.298	83%	0.828	S	S	*	*			cis	-138.5	0	38	-97.2	125.4	0	0	0	113.5

Retrieved 358 of 358 residues in 494.8 ms (Link to these results)

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