A0A087XT82_POEFO Loading...

Metalloproteinase inhibitor 3

AlphaFold DB (A0A3B3TL57), UniProt , Accession A0A087XT82, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 214 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	57.8	Low	71.6	Confident	214 Å²	214	118 Å²	118	100%	1.054	60%	0.598	S	S	*	*				0	-46.5	0	-82.7	-175	-84.2	0	0	113.2	S3 V4 Y5	M1-S3 PolarHBondContact O-N 3.17Å; M1-V4 PolarHBondContact O-N 2.95Å; M1-Y5 PolarHBondContact O-N 3.24Å
2	Q	60.9	Low	71.9	Confident	170 Å²	170	117.4 Å²	117.4	79%	0.794	60%	0.597	S	S	*	*	H	α-helix	trans	-60.1	-43.9	179.6	-87.6	166.7	-36.1	0	0	115.1	V4 Y5 Q6	Q2-V4 PolarHBondContact O-N 2.93Å; Q2-Y5 WeakPolarHBondContact O-CB 3.4Å; Q2-Y5 PolarHBondContact O-N 2.97Å; Q2-Q6 PolarHBondContact O-N 2.99Å; Q2-Q6 VanDerWaalsContact O-N 3.09Å
3	S	68.1	Low	71.7	Confident	73 Å²	73	119.7 Å²	119.7	51%	0.51	60%	0.601	S	S	.	*	H	α-helix	trans	-62.5	-39.2	-179.4	160	0	0	0	0	113.1	M1 Y5 Q6 H7	M1-S3 PolarHBondContact O-N 3.17Å; S3-Y5 VanDerWaalsContact C-N 3.32Å; S3-Y5 PolarHBondContact O-N 3.02Å; S3-Q6 PolarHBondContact O-N 3.29Å; S3-H7 PolarHBondContact O-CD2 3.11Å; S3-H7 PolarHBondContact O-N 3.02Å; S3-H7 VanDerWaalsContact O-N 3.07Å
4	V	72.7	Confident	71.7	Confident	94 Å²	94	116.8 Å²	116.8	57%	0.57	59%	0.592	S	S	*	*	H	α-helix	trans	-65.4	-37.8	177.3	-178.8	0	0	0	0	111.2	M1 Q2 Q6 H7 L8	M1-V4 PolarHBondContact O-N 2.95Å; Q2-V4 PolarHBondContact O-N 2.93Å; V4-Q6 VanDerWaalsContact C-N 3.34Å; V4-H7 PolarHBondContact O-N 2.9Å; V4-L8 HydrophobicContact CG1-CD1 4.1Å; V4-L8 WeakPolarHBondContact O-CB 3.28Å; V4-L8 WeakPolarHBondContact O-CG 3.4Å; V4-L8 PolarHBondContact O-N 3.34Å
5	Y	74.6	Confident	71.3	Confident	164 Å²	164	118.8 Å²	118.8	64%	0.643	60%	0.596	S	S	*	*	H	α-helix	trans	-66.2	-38.1	177.1	-145.2	-95.2	0	0	0	111.8	M1 Q2 S3 L8 I9	M1-Y5 PolarHBondContact O-N 3.24Å; Q2-Y5 WeakPolarHBondContact O-CB 3.4Å; Q2-Y5 PolarHBondContact O-N 2.97Å; S3-Y5 VanDerWaalsContact C-N 3.32Å; S3-Y5 PolarHBondContact O-N 3.02Å; Y5-L8 PolarHBondContact O-N 2.83Å; Y5-I9 HydrophobicContact CD1-CD1 3.6Å; Y5-I9 HydrophobicContact CD1-CG1 4.25Å; Y5-I9 HydrophobicContact CE1-CD1 3.87Å; Y5-I9 HydrophobicContact CE1-CG1 4.43Å; Y5-I9 VanDerWaalsContact O-CG1 3.28Å; Y5-I9 WeakPolarHBondContact O-CG1 3.5Å; Y5-I9 PolarHBondContact O-N 3.06Å
6	Q	74.2	Confident	70.7	Confident	135 Å²	135	115.8 Å²	115.8	63%	0.631	59%	0.589	S	S	*	*	H	α-helix	trans	-68.9	-37.6	178.3	-140.6	164.5	-22.7	0	0	112.3	Q2 S3 V4 S10	Q2-Q6 PolarHBondContact O-N 2.99Å; Q2-Q6 VanDerWaalsContact O-N 3.09Å; S3-Q6 PolarHBondContact O-N 3.29Å; V4-Q6 VanDerWaalsContact C-N 3.34Å; Q6-S10 WeakPolarHBondContact O-CB 3.42Å; Q6-S10 PolarHBondContact O-N 2.82Å; Q6-S10 PolarHBondContact O-OG 2.64Å
7	H	74.9	Confident	70.1	Confident	118 Å²	118	114.4 Å²	114.4	55%	0.546	59%	0.593	S	S	.	*	H	α-helix	trans	-68.7	-39.4	172.3	-70.9	-58.1	0	0	0	112.4	S3 V4 S10 L11	S3-H7 PolarHBondContact O-CD2 3.11Å; S3-H7 PolarHBondContact O-N 3.02Å; S3-H7 VanDerWaalsContact O-N 3.07Å; V4-H7 PolarHBondContact O-N 2.9Å; H7-S10 PolarHBondContact O-N 2.8Å; H7-L11 WeakPolarHBondContact O-CB 3.29Å; H7-L11 PolarHBondContact O-N 2.93Å
8	L	75.9	Confident	69.5	Low	94 Å²	94	114.5 Å²	114.5	49%	0.492	59%	0.593	S	S	.	*	H	α-helix	trans	-63.3	-43.7	175.2	-84.3	161.5	0	0	0	112.3	V4 Y5 L11 L12	V4-L8 HydrophobicContact CG1-CD1 4.1Å; V4-L8 WeakPolarHBondContact O-CB 3.28Å; V4-L8 WeakPolarHBondContact O-CG 3.4Å; V4-L8 PolarHBondContact O-N 3.34Å; Y5-L8 PolarHBondContact O-N 2.83Å; L8-L11 PolarHBondContact O-N 2.87Å; L8-L12 WeakPolarHBondContact O-CB 3.01Å; L8-L12 PolarHBondContact O-N 2.97Å
9	I	77.1	Confident	69	Low	72 Å²	72	116.8 Å²	116.8	37%	0.369	60%	0.601	S	S	.	*	H	α-helix	trans	-62.8	-44.5	175.2	-69.5	168	0	0	0	110.2	Y5 L11 L12 F13	Y5-I9 HydrophobicContact CD1-CD1 3.6Å; Y5-I9 HydrophobicContact CD1-CG1 4.25Å; Y5-I9 HydrophobicContact CE1-CD1 3.87Å; Y5-I9 HydrophobicContact CE1-CG1 4.43Å; Y5-I9 VanDerWaalsContact O-CG1 3.28Å; Y5-I9 WeakPolarHBondContact O-CG1 3.5Å; Y5-I9 PolarHBondContact O-N 3.06Å; I9-L11 PolarHBondContact O-N 2.83Å; I9-L12 PolarHBondContact O-N 3.07Å; I9-F13 HydrophobicContact CG2-CD2 3.68Å; I9-F13 HydrophobicContact CG2-CE2 3.66Å; I9-F13 VanDerWaalsContact O-CD2 3.29Å; I9-F13 WeakPolarHBondContact O-CD2 3.46Å; I9-F13 PolarHBondContact O-N 3.44Å
10	S	75.4	Confident	68.6	Low	65 Å²	65	116.8 Å²	116.8	46%	0.455	61%	0.606	S	S	.	*	H	α-helix	trans	-62.8	-41.6	178.3	-57.7	0	0	0	0	112.1	Q6 H7 F13 V14	Q6-S10 WeakPolarHBondContact O-CB 3.42Å; Q6-S10 PolarHBondContact O-N 2.82Å; Q6-S10 PolarHBondContact O-OG 2.64Å; H7-S10 PolarHBondContact O-N 2.8Å; S10-F13 PolarHBondContact O-N 3.25Å; S10-V14 WeakPolarHBondContact O-CG2 3.29Å; S10-V14 PolarHBondContact O-N 2.88Å
11	L	76.6	Confident	68.1	Low	99 Å²	99	116.2 Å²	116.2	52%	0.518	61%	0.61	S	S	.	*	H	α-helix	trans	-63.4	-41.5	174.4	-88.2	155.6	0	0	0	112.2	H7 L8 I9 V14 F15	H7-L11 WeakPolarHBondContact O-CB 3.29Å; H7-L11 PolarHBondContact O-N 2.93Å; L8-L11 PolarHBondContact O-N 2.87Å; I9-L11 PolarHBondContact O-N 2.83Å; L11-V14 PolarHBondContact O-N 2.96Å; L11-F15 WeakPolarHBondContact O-CD2 3.32Å; L11-F15 PolarHBondContact O-N 3.15Å
12	L	74.4	Confident	68	Low	111 Å²	111	114.4 Å²	114.4	58%	0.581	60%	0.599	S	S	*	*	H	α-helix	trans	-62.2	-42.7	174.8	-87.4	157.1	0	0	0	111.9	L8 I9 V14 F15 S16	L8-L12 WeakPolarHBondContact O-CB 3.01Å; L8-L12 PolarHBondContact O-N 2.97Å; I9-L12 PolarHBondContact O-N 3.07Å; L12-V14 PolarHBondContact O-N 3.29Å; L12-F15 PolarHBondContact O-N 2.82Å; L12-S16 WeakPolarHBondContact O-CB 3.38Å; L12-S16 PolarHBondContact O-N 3.02Å; L12-S16 PolarHBondContact O-OG 2.77Å
13	F	69.6	Low	67.7	Low	147 Å²	147	114 Å²	114	65%	0.645	60%	0.601	S	S	*	*	H	α-helix	trans	-64.9	-36.8	175.4	-87.6	-74.2	0	0	0	112.7	I9 S10 S16 S17	I9-F13 HydrophobicContact CG2-CD2 3.68Å; I9-F13 HydrophobicContact CG2-CE2 3.66Å; I9-F13 VanDerWaalsContact O-CD2 3.29Å; I9-F13 WeakPolarHBondContact O-CD2 3.46Å; I9-F13 PolarHBondContact O-N 3.44Å; S10-F13 PolarHBondContact O-N 3.25Å; F13-S16 PolarHBondContact O-N 2.92Å; F13-S17 PolarHBondContact O-N 2.78Å; F13-S17 VanDerWaalsContact O-N 3.1Å; F13-S17 PolarHBondContact O-OG 3.12Å
14	V	71.9	Confident	67.5	Low	79 Å²	79	116.7 Å²	116.7	48%	0.479	62%	0.615	S	S	.	*	H	α-helix	trans	-67.9	-42.9	174.4	173.4	0	0	0	0	111.4	S10 L11 L12 S16 S17 L18	S10-V14 WeakPolarHBondContact O-CG2 3.29Å; S10-V14 PolarHBondContact O-N 2.88Å; L11-V14 PolarHBondContact O-N 2.96Å; L12-V14 PolarHBondContact O-N 3.29Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 3.47Å; V14-S17 WeakPolarHBondContact CA-OG 3.37Å; V14-S17 PolarHBondContact O-N 3.07Å; V14-S17 PolarHBondContact O-OG 3.35Å; V14-L18 HydrophobicContact CG1-CD1 3.95Å; V14-L18 WeakPolarHBondContact O-CD1 3.42Å; V14-L18 WeakPolarHBondContact O-CG 3.27Å; V14-L18 PolarHBondContact O-N 2.79Å; V14-L18 VanDerWaalsContact O-N 3.1Å
15	F	64.9	Low	67.5	Low	147 Å²	147	121.3 Å²	121.3	65%	0.645	63%	0.63	S	S	*	*	H	α-helix	trans	-65.7	-33.7	175.2	-95.4	-80.6	0	0	0	113	L11 L12	L11-F15 WeakPolarHBondContact O-CD2 3.32Å; L11-F15 PolarHBondContact O-N 3.15Å; L12-F15 PolarHBondContact O-N 2.82Å
16	S	62.3	Low	68	Low	71 Å²	71	115.6 Å²	115.6	50%	0.497	62%	0.621	S	S	.	*	H	α-helix	trans	-69	-34.2	176.3	-52.1	0	0	0	0	112.3	L12 F13 V14	L12-S16 WeakPolarHBondContact O-CB 3.38Å; L12-S16 PolarHBondContact O-N 3.02Å; L12-S16 PolarHBondContact O-OG 2.77Å; F13-S16 PolarHBondContact O-N 2.92Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 3.47Å
17	S	60.9	Low	68.9	Low	92 Å²	92	110.8 Å²	110.8	64%	0.643	60%	0.602	S	S	*	*	H	α-helix	trans	-83.9	-15.6	179.2	44.9	0	0	0	0	113.7	F13 V14 Q19	F13-S17 PolarHBondContact O-N 2.78Å; F13-S17 VanDerWaalsContact O-N 3.1Å; F13-S17 PolarHBondContact O-OG 3.12Å; V14-S17 WeakPolarHBondContact CA-OG 3.37Å; V14-S17 PolarHBondContact O-N 3.07Å; V14-S17 PolarHBondContact O-OG 3.35Å; S17-Q19 VanDerWaalsContact C-N 3.3Å
18	L	59.2	Low	69.7	Low	116 Å²	116	110.5 Å²	110.5	61%	0.607	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-4.6	170.2	-79.6	159.8	0	0	0	113.7	V14 V20	V14-L18 HydrophobicContact CG1-CD1 3.95Å; V14-L18 WeakPolarHBondContact O-CD1 3.42Å; V14-L18 WeakPolarHBondContact O-CG 3.27Å; V14-L18 PolarHBondContact O-N 2.79Å; V14-L18 VanDerWaalsContact O-N 3.1Å; L18-V20 PolarHBondContact O-N 2.95Å
19	Q	59.7	Low	70.5	Confident	159 Å²	159	108.7 Å²	108.7	74%	0.743	61%	0.608	S	S	*	*			trans	-73.7	74.6	165.7	-69.7	-175.9	-20.7	0	0	109.2	S17 P21	S17-Q19 VanDerWaalsContact C-N 3.3Å; Q19-P21 WeakPolarHBondContact O-CD 3.36Å
20	V	60.1	Low	71.1	Confident	115 Å²	115	109.3 Å²	109.3	70%	0.697	62%	0.623	S	S	*	*			trans	-55.1	121.6	161.4	-175.3	0	0	0	0	105.7	L18 Q22	L18-V20 PolarHBondContact O-N 2.95Å; V20-Q22 PolarHBondContact O-N 2.79Å
21	P	58.1	Low	71.7	Confident	105 Å²	105	110.5 Å²	110.5	68%	0.682	62%	0.624	S	S	*	*			trans	-58.4	111.4	170.6	23.1	-29.7	0	0	0	106	Q19 L23	Q19-P21 WeakPolarHBondContact O-CD 3.36Å; P21-L23 VanDerWaalsContact C-N 3.32Å; P21-L23 PolarHBondContact O-N 2.88Å
22	Q	56.3	Low	72.5	Confident	176 Å²	176	107.9 Å²	107.9	82%	0.822	61%	0.612	S	S	*	*			trans	-58	106.8	167.5	-74.3	-177.7	-25	0	0	105.2	V20 T24	V20-Q22 PolarHBondContact O-N 2.79Å; Q22-T24 VanDerWaalsContact C-N 3.28Å; Q22-T24 PolarHBondContact O-N 2.74Å
23	L	54.6	Low	73.6	Confident	163 Å²	163	102.6 Å²	102.6	85%	0.853	59%	0.585	S	S	*	*			trans	-60.6	101.5	168.4	-74.6	163.4	0	0	0	105	P21 E25	P21-L23 VanDerWaalsContact C-N 3.32Å; P21-L23 PolarHBondContact O-N 2.88Å; L23-E25 PolarHBondContact O-N 2.78Å; L23-E25 VanDerWaalsContact O-N 3.11Å
24	T	64.1	Low	74.9	Confident	129 Å²	129	95.6 Å²	95.6	79%	0.791	55%	0.554	S	S	*	*			trans	-70.6	107.6	173.6	47.4	0	0	0	0	106.4	Q22 G26	Q22-T24 VanDerWaalsContact C-N 3.28Å; Q22-T24 PolarHBondContact O-N 2.74Å; T24-G26 PolarHBondContact O-N 2.94Å
25	E	73.2	Confident	76.1	Confident	190 Å²	190	91.9 Å²	91.9	89%	0.888	53%	0.531	S	S	*	.			trans	-65	122.9	171.3	-67.3	-164.9	166.6	0	0	108.5	L23	L23-E25 PolarHBondContact O-N 2.78Å; L23-E25 VanDerWaalsContact O-N 3.11Å
26	G	84.8	Confident	77.7	Confident	44 Å²	44	86.4 Å²	86.4	45%	0.454	51%	0.509	S	S	.	.			trans	-125.1	162	177.1	0	0	0	0	0	110.9	T24 S28	T24-G26 PolarHBondContact O-N 2.94Å; G26-S28 PolarHBondContact O-N 2.84Å
27	C	92.3	Very high	79.4	Confident	34 Å²	34	83.4 Å²	83.4	23%	0.23	49%	0.488	C	S	.	.			trans	-56.6	121.5	178	-176.8	0	0	0	0	111.9	E91 S92 C94 L120	C27-E91 WeakPolarHBondContact CB-O 3.48Å; C27-S92 PolarHBondContact N-O 3.4Å; C27-C94 HydrophobicContact CB-CB 3.94Å; C27-C94 WeakPolarHBondContact CB-SG 3.07Å; C27-C94 WeakPolarHBondContact SG-CA 3.15Å; C27-C94 WeakPolarHBondContact SG-CB 3.24Å; C27-C94 CovalentContact SG-SG 2.02Å; C27-C94 PolarHBondContact SG-SG 3.16Å; C27-L120 HydrophobicContact CB-CD1 4.46Å
28	S	92.7	Very high	81.2	Confident	113 Å²	113	79.2 Å²	79.2	79%	0.79	46%	0.459	S	S	*	.			trans	-124.5	129.7	173.5	-63.5	0	0	0	0	109.4	G26	G26-S28 PolarHBondContact O-N 2.84Å
29	C	91.9	Very high	83	Confident	56 Å²	56	74.8 Å²	74.8	38%	0.378	44%	0.437	S	S	.	.			trans	-115.7	139.4	-175.2	-58.6	0	0	0	0	111.1	C121	C29-C121 VanDerWaalsContact CA-SG 3.55Å; C29-C121 HydrophobicContact CB-CB 3.64Å; C29-C121 WeakPolarHBondContact CB-SG 3.44Å; C29-C121 WeakPolarHBondContact SG-CA 3.21Å; C29-C121 WeakPolarHBondContact SG-CB 3.31Å; C29-C121 PolarHBondContact SG-N 3.3Å; C29-C121 CovalentContact SG-SG 2.03Å; C29-C121 PolarHBondContact SG-SG 3.11Å
30	A	89.9	Confident	84.8	Confident	84 Å²	84	72.3 Å²	72.3	69%	0.694	43%	0.429	S	S	*	.			trans	-70.3	138.8	166.8	0	0	0	0	0	110.2	T32	A30-T32 PolarHBondContact O-N 3.43Å; A30-T32 PolarHBondContact O-OG1 2.85Å
31	L	88.6	Confident	86.6	Confident	90 Å²	90	67 Å²	67	47%	0.471	40%	0.397	S	S	.	.			trans	-64.7	129.8	175.7	-67.1	168.5	0	0	0	109.6	W168 M171 Y177	L31-W168 HydrophobicContact CB-CH2 4.17Å; L31-W168 HydrophobicContact CB-CZ3 4.47Å; L31-M171 HydrophobicContact CB-CE 3.38Å; L31-M171 HydrophobicContact CB-SD 4.41Å; L31-M171 HydrophobicContact CD1-CE 3.4Å; L31-M171 HydrophobicContact CD1-SD 3.25Å; L31-M171 WeakPolarHBondContact CD1-SD 3.45Å; L31-M171 HydrophobicContact CG-CE 3.95Å; L31-M171 HydrophobicContact CG-SD 4.41Å; L31-Y177 HydrophobicContact CD2-CD2 4.06Å; L31-Y177 HydrophobicContact CD2-CE2 3.96Å; L31-Y177 HydrophobicContact CD2-CG 4.42Å
32	T	93.3	Very high	88.5	Confident	44 Å²	44	63.6 Å²	63.6	27%	0.27	37%	0.373	S	S	.	.			trans	-128.4	128	-171.8	-59	0	0	0	0	109.7	A30 D36 A37	A30-T32 PolarHBondContact O-N 3.43Å; A30-T32 PolarHBondContact O-OG1 2.85Å; T32-D36 HydrophobicContact CG2-CB 3.74Å; T32-A37 HydrophobicContact CG2-CB 4.06Å
33	H	96.5	Very high	90.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.334	C	S	.	.			trans	-66.3	143.6	174.2	-175	-89.1	0	0	0	109.8	Q35 D36 A37 I150 W168 W197	H33-Q35 WeakPolarHBondContact ND1-CB 3.28Å; H33-Q35 PolarHBondContact ND1-N 2.93Å; H33-Q35 VanDerWaalsContact ND1-N 3.11Å; H33-Q35 PolarHBondContact O-N 2.8Å; H33-D36 PolarHBondContact O-N 3.41Å; H33-A37 PolarHBondContact O-N 3.26Å; H33-I150 HydrophobicContact CB-CD1 3.91Å; H33-I150 HydrophobicContact CB-CG2 4.15Å; H33-I150 VanDerWaalsContact ND1-CD1 3.31Å; H33-I150 WeakPolarHBondContact ND1-CD1 3.37Å; H33-W168 HydrophobicContact CB-CD2 4.35Å; H33-W168 HydrophobicContact CB-CE3 4.29Å; H33-W168 HydrophobicContact CB-CH2 4.27Å; H33-W168 HydrophobicContact CB-CZ2 4.32Å; H33-W168 HydrophobicContact CB-CZ3 4.25Å; H33-W168 AromaticContact CD2-NE1 3.96Å; H33-W197 AromaticContact CD2-CH2 3.82Å; H33-W197 AromaticContact CE1-CZ3 3.88Å; H33-W197 AromaticContact NE2-CH2 3.64Å; H33-W197 AromaticContact NE2-CZ3 3.65Å
34	P	97.4	Very high	92.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-56.2	-30.1	-177.6	-26.3	33.3	0	0	0	114.1	F38 F123 F138 Y142 S182	P34-F38 PolarHBondContact O-N 3Å; P34-F123 HydrophobicContact CB-CD2 4.23Å; P34-F123 HydrophobicContact CB-CE2 3.93Å; P34-F123 HydrophobicContact CB-CZ 4.33Å; P34-F123 HydrophobicContact CG-CD2 4.3Å; P34-F123 HydrophobicContact CG-CE2 3.71Å; P34-F123 HydrophobicContact CG-CZ 4.31Å; P34-F138 HydrophobicContact CB-CE2 4.1Å; P34-F138 HydrophobicContact CB-CZ 3.94Å; P34-Y142 HydrophobicContact CB-CE2 3.97Å; P34-S182 WeakPolarHBondContact CD-OG 3.45Å; P34-S182 WeakPolarHBondContact CG-OG 3.46Å
35	Q	98.2	Very high	94.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-64.6	-46.6	172.1	-175.5	171.2	-44.1	0	0	112.6	H33 A37 F38 C39 Y142 G145 I150 C187	H33-Q35 WeakPolarHBondContact ND1-CB 3.28Å; H33-Q35 PolarHBondContact ND1-N 2.93Å; H33-Q35 VanDerWaalsContact ND1-N 3.11Å; H33-Q35 PolarHBondContact O-N 2.8Å; Q35-A37 VanDerWaalsContact C-N 3.28Å; Q35-A37 PolarHBondContact O-N 2.93Å; Q35-F38 WeakPolarHBondContact O-CB 3.5Å; Q35-F38 PolarHBondContact O-N 2.81Å; Q35-F38 VanDerWaalsContact O-N 3.13Å; Q35-C39 PolarHBondContact O-N 3.14Å; Q35-C39 PolarHBondContact O-SG 3.42Å; Q35-Y142 HydrophobicContact CB-CD1 3.43Å; Q35-Y142 VanDerWaalsContact CB-CD1 3.43Å; Q35-Y142 HydrophobicContact CB-CE1 3.76Å; Q35-Y142 HydrophobicContact CB-CG 3.91Å; Q35-Y142 HydrophobicContact CG-CD1 3.63Å; Q35-Y142 HydrophobicContact CG-CE1 4.41Å; Q35-Y142 HydrophobicContact CG-CG 4.01Å; Q35-G145 PolarHBondContact NE2-O 3.36Å; Q35-I150 HydrophobicContact CB-CD1 3.75Å; Q35-I150 HydrophobicContact CG-CD1 4.15Å; Q35-C187 PolarHBondContact NE2-O 3.34Å; Q35-C187 PolarHBondContact OE1-O 3.1Å
36	D	97.9	Very high	95.4	Very high	32 Å²	32	35.1 Å²	35.1	17%	0.171	22%	0.224	C	C	.	.	H	α-helix	trans	-64.7	-38.2	177.3	-66.5	-29.3	0	0	0	110.5	T32 H33 F38 C39 N40	T32-D36 HydrophobicContact CG2-CB 3.74Å; H33-D36 PolarHBondContact O-N 3.41Å; D36-F38 VanDerWaalsContact C-N 3.28Å; D36-F38 PolarHBondContact O-N 2.7Å; D36-C39 PolarHBondContact O-N 2.86Å; D36-N40 VanDerWaalsContact O-CB 3.24Å; D36-N40 WeakPolarHBondContact O-CB 3.38Å; D36-N40 VanDerWaalsContact O-CG 3.3Å; D36-N40 PolarHBondContact O-N 2.92Å; D36-N40 PolarHBondContact O-ND2 2.71Å
37	A	97.8	Very high	96.1	Very high	8 Å²	8	33 Å²	33	7%	0.066	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-37.7	173.7	0	0	0	0	0	112.2	T32 H33 Q35 S41 F123	T32-A37 HydrophobicContact CG2-CB 4.06Å; H33-A37 PolarHBondContact O-N 3.26Å; Q35-A37 VanDerWaalsContact C-N 3.28Å; Q35-A37 PolarHBondContact O-N 2.93Å; A37-S41 WeakPolarHBondContact O-CB 3.39Å; A37-S41 PolarHBondContact O-N 2.85Å; A37-S41 PolarHBondContact O-OG 2.71Å; A37-F123 HydrophobicContact CB-CB 3.48Å; A37-F123 VanDerWaalsContact CB-CB 3.48Å; A37-F123 HydrophobicContact CB-CG 4.31Å
38	F	98.4	Very high	96.4	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.018	21%	0.206	C	C	.	.	H	α-helix	trans	-67.3	-46.5	172.5	177.7	-88.3	0	0	0	112.2	P34 Q35 D36 V44 K74 F138 Y142 Q143	P34-F38 PolarHBondContact O-N 3Å; Q35-F38 WeakPolarHBondContact O-CB 3.5Å; Q35-F38 PolarHBondContact O-N 2.81Å; Q35-F38 VanDerWaalsContact O-N 3.13Å; D36-F38 VanDerWaalsContact C-N 3.28Å; D36-F38 PolarHBondContact O-N 2.7Å; F38-V44 HydrophobicContact CD2-CB 4.13Å; F38-V44 HydrophobicContact CD2-CG1 4.12Å; F38-V44 HydrophobicContact CD2-CG2 3.7Å; F38-V44 HydrophobicContact CE2-CB 4.28Å; F38-V44 HydrophobicContact CE2-CG1 4.49Å; F38-V44 HydrophobicContact CE2-CG2 4.16Å; F38-V44 HydrophobicContact CG-CG2 4.42Å; F38-K74 HydrophobicContact CE1-CD 4.16Å; F38-K74 HydrophobicContact CE2-CB 3.93Å; F38-K74 HydrophobicContact CE2-CD 4.43Å; F38-K74 HydrophobicContact CZ-CB 3.98Å; F38-K74 HydrophobicContact CZ-CD 4.11Å; F38-K74 HydrophobicContact CZ-CG 4.44Å; F38-K74 WeakPolarHBondContact O-CD 3.12Å; F38-K74 PolarHBondContact O-NZ 3.3Å; F38-F138 HydrophobicContact CB-CD1 4.2Å; F38-F138 HydrophobicContact CB-CE1 3.91Å; F38-F138 AromaticContact CD2-CD1 3.71Å; F38-F138 HydrophobicContact CD2-CD1 3.71Å; F38-F138 HydrophobicContact CD2-CE1 4.21Å; F38-F138 HydrophobicContact CG-CD1 4.37Å; F38-Y142 HydrophobicContact CB-CD2 4.16Å; F38-Y142 HydrophobicContact CB-CG 4.46Å; F38-Y142 HydrophobicContact CG-CD2 4.48Å; F38-Q143 HydrophobicContact CE1-CB 3.72Å; F38-Q143 VanDerWaalsContact CE1-OE1 3.23Å; F38-Q143 HydrophobicContact CZ-CB 4.06Å
39	C	97.8	Very high	96.6	Very high	24 Å²	24	29.5 Å²	29.5	16%	0.162	17%	0.169	C	C	.	.	H	α-helix	trans	-69.9	-38.9	-174.9	-64.6	0	0	0	0	112.5	Q35 D36 S41 K74 C146	Q35-C39 PolarHBondContact O-N 3.14Å; Q35-C39 PolarHBondContact O-SG 3.42Å; D36-C39 PolarHBondContact O-N 2.86Å; C39-S41 VanDerWaalsContact C-N 3.35Å; C39-K74 PolarHBondContact O-NZ 2.63Å; C39-C146 VanDerWaalsContact CA-SG 3.54Å; C39-C146 HydrophobicContact CB-CB 3.79Å; C39-C146 WeakPolarHBondContact CB-SG 3.23Å; C39-C146 WeakPolarHBondContact SG-CA 3.2Å; C39-C146 WeakPolarHBondContact SG-CB 3.19Å; C39-C146 CovalentContact SG-SG 2.05Å; C39-C146 PolarHBondContact SG-SG 2.78Å
40	N	97.3	Very high	96.9	Very high	106 Å²	106	29.6 Å²	29.6	57%	0.567	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.8	-177.6	-63.1	-29.5	0	0	0	114.3	D36	D36-N40 VanDerWaalsContact O-CB 3.24Å; D36-N40 WeakPolarHBondContact O-CB 3.38Å; D36-N40 VanDerWaalsContact O-CG 3.3Å; D36-N40 PolarHBondContact O-N 2.92Å; D36-N40 PolarHBondContact O-ND2 2.71Å
41	S	97.9	Very high	97.3	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.021	14%	0.144	C	C	.	.			trans	-96.5	147.1	176.3	-64.8	0	0	0	0	111.4	A37 C39 K74 T108 G109	A37-S41 WeakPolarHBondContact O-CB 3.39Å; A37-S41 PolarHBondContact O-N 2.85Å; A37-S41 PolarHBondContact O-OG 2.71Å; C39-S41 VanDerWaalsContact C-N 3.35Å; S41-K74 WeakPolarHBondContact O-CD 3.46Å; S41-K74 WeakPolarHBondContact O-CE 3.46Å; S41-K74 PolarHBondContact O-NZ 2.99Å; S41-T108 WeakPolarHBondContact OG-CB 3.18Å; S41-G109 WeakPolarHBondContact CB-O 3.37Å
42	D	97.9	Very high	97.8	Very high	35 Å²	35	28.4 Å²	28.4	19%	0.187	15%	0.149	C	C	.	.	S	Bend	trans	-77.8	-36.9	175.6	-67.3	-33.3	0	0	0	111.5	G75 K78 G109 R110 V111	D42-G75 WeakPolarHBondContact O-CA 3.11Å; D42-K78 HydrophobicContact CB-CD 3.69Å; D42-K78 IonicContact OD1-NZ 2.64Å; D42-K78 PolarHBondContact OD1-NZ 3.37Å; D42-K78 IonicContact OD2-NZ 3.65Å; D42-G109 PolarHBondContact N-O 2.97Å; D42-R110 VanDerWaalsContact OD2-CA 3.28Å; D42-R110 WeakPolarHBondContact OD2-CA 3.42Å; D42-R110 WeakPolarHBondContact OD2-CB 3.38Å; D42-V111 HydrophobicContact CB-CB 4.35Å; D42-V111 HydrophobicContact CB-CG2 3.94Å; D42-V111 PolarHBondContact OD2-N 2.89Å
43	I	98.1	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144.4	-178.7	64.2	112.6	0	0	0	110.4	I45 K74 G109 V111 V116	I43-I45 HydrophobicContact CD1-CD1 4.35Å; I43-I45 HydrophobicContact CD1-CG1 4.32Å; I43-I45 HydrophobicContact CD1-CG2 4.39Å; I43-K74 WeakPolarHBondContact CA-O 3.21Å; I43-G109 PolarHBondContact N-O 3.44Å; I43-G109 VanDerWaalsContact N-O 3.15Å; I43-G109 PolarHBondContact O-N 3.07Å; I43-G109 VanDerWaalsContact O-N 3.14Å; I43-V111 HydrophobicContact CG1-CG2 4.49Å; I43-V111 HydrophobicContact CG2-CG2 3.45Å; I43-V111 VanDerWaalsContact CG2-CG2 3.45Å; I43-V116 HydrophobicContact CD1-CB 4.3Å; I43-V116 HydrophobicContact CD1-CG1 3.25Å; I43-V116 HydrophobicContact CD1-CG2 4.06Å; I43-V116 HydrophobicContact CG1-CG1 3.75Å; I43-V116 HydrophobicContact CG1-CG2 4.18Å
44	V	98.4	Very high	98	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	117.3	173.3	-177.1	0	0	0	0	108.6	F38 Y73 K74 L106 I107 T108 F138	F38-V44 HydrophobicContact CD2-CB 4.13Å; F38-V44 HydrophobicContact CD2-CG1 4.12Å; F38-V44 HydrophobicContact CD2-CG2 3.7Å; F38-V44 HydrophobicContact CE2-CB 4.28Å; F38-V44 HydrophobicContact CE2-CG1 4.49Å; F38-V44 HydrophobicContact CE2-CG2 4.16Å; F38-V44 HydrophobicContact CG-CG2 4.42Å; V44-Y73 HydrophobicContact CG1-CD2 4.18Å; V44-Y73 PolarHBondContact O-N 3.25Å; V44-K74 HydrophobicContact CB-CB 4Å; V44-K74 HydrophobicContact CG2-CB 3.98Å; V44-K74 HydrophobicContact CG2-CD 4.34Å; V44-K74 PolarHBondContact N-O 2.05Å; V44-K74 PolarHBondContact O-N 3.3Å; V44-L106 HydrophobicContact CG1-CD1 4.06Å; V44-L106 HydrophobicContact CG1-CG 4.49Å; V44-I107 WeakPolarHBondContact CA-O 3.3Å; V44-T108 HydrophobicContact CB-CG2 4.49Å; V44-T108 HydrophobicContact CG1-CG2 4.01Å; V44-T108 HydrophobicContact CG2-CG2 3.97Å; V44-F138 HydrophobicContact CG1-CD1 3.87Å; V44-F138 HydrophobicContact CG1-CE1 4.23Å
45	I	98.4	Very high	97.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151	-173.3	64.2	175.2	0	0	0	111.9	I43 A47 I67 K71 M72 V82 I85 L106 I107	I43-I45 HydrophobicContact CD1-CD1 4.35Å; I43-I45 HydrophobicContact CD1-CG1 4.32Å; I43-I45 HydrophobicContact CD1-CG2 4.39Å; I45-A47 HydrophobicContact CD1-CB 4.24Å; I45-I67 HydrophobicContact CD1-CD1 4.27Å; I45-K71 CarbonylContact C-O 3.59Å; I45-K71 VanDerWaalsContact CA-O 3.3Å; I45-K71 WeakPolarHBondContact CA-O 3.46Å; I45-M72 HydrophobicContact CG2-CB 4.16Å; I45-M72 HydrophobicContact CG2-CE 4.12Å; I45-M72 HydrophobicContact CG2-CG 4.06Å; I45-V82 HydrophobicContact CD1-CB 3.99Å; I45-V82 HydrophobicContact CD1-CG1 3.98Å; I45-V82 HydrophobicContact CD1-CG2 4.22Å; I45-V82 HydrophobicContact CG2-CG2 4.42Å; I45-I85 HydrophobicContact CD1-CD1 4Å; I45-L106 WeakPolarHBondContact O-CA 3.48Å; I45-I107 HydrophobicContact CG1-CB 4.19Å; I45-I107 PolarHBondContact N-O 3.42Å; I45-I107 PolarHBondContact O-N 3.44Å
46	R	98.6	Very high	97.6	Very high	60 Å²	60	48.7 Å²	48.7	23%	0.226	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124.2	160.8	178.9	-179.9	176.3	-174.9	0.7	108.3	M70 K71 Y73 Y105 W127	R46-M70 HydrophobicContact CG-CB 4.43Å; R46-M70 HydrophobicContact CG-SD 4.48Å; R46-M70 WeakPolarHBondContact O-CA 3.47Å; R46-M70 WeakPolarHBondContact O-CB 3.45Å; R46-M70 PolarHBondContact O-N 2.78Å; R46-K71 HydrophobicContact CB-CB 4.34Å; R46-K71 PolarHBondContact N-O 3.16Å; R46-K71 PolarHBondContact O-N 2.72Å; R46-K71 VanDerWaalsContact O-N 3.11Å; R46-Y73 HydrophobicContact CB-CE2 3.89Å; R46-Y105 CarbonylContact C-O 3.54Å; R46-Y105 VanDerWaalsContact CA-O 3.28Å; R46-Y105 WeakPolarHBondContact CA-O 3.3Å; R46-W127 HydrophobicContact CG-CD2 4.34Å; R46-W127 HydrophobicContact CG-CE3 4.16Å; R46-W127 VanDerWaalsContact CZ-CD1 3.41Å; R46-W127 VanDerWaalsContact CZ-CE2 3.41Å; R46-W127 VanDerWaalsContact NH1-CE2 3.33Å; R46-W127 VanDerWaalsContact NH2-CD1 3.26Å
47	A	98.4	Very high	97.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	157.7	-176.4	0	0	0	0	0	112.5	I45 I67 K68 Q104 Y105	I45-A47 HydrophobicContact CD1-CB 4.24Å; A47-I67 HydrophobicContact CB-CB 4.16Å; A47-I67 HydrophobicContact CB-CD1 3.86Å; A47-I67 HydrophobicContact CB-CG1 4.36Å; A47-K68 WeakPolarHBondContact CA-O 3.17Å; A47-Q104 WeakPolarHBondContact O-CA 3.33Å; A47-Y105 PolarHBondContact N-O 3.18Å; A47-Y105 PolarHBondContact O-N 3.2Å
48	K	98.4	Very high	96.5	Very high	71 Å²	71	53.3 Å²	53.3	31%	0.309	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.9	167.9	-175.5	168.6	-179.4	172.2	0	109	I67 K68 N101	K48-I67 CarbonylContact O-C 3.51Å; K48-I67 WeakPolarHBondContact O-CA 3.1Å; K48-K68 PolarHBondContact N-O 3.48Å; K48-K68 PolarHBondContact O-N 3.32Å; K48-N101 WeakPolarHBondContact CE-O 3.48Å; K48-N101 PolarHBondContact NZ-O 2.82Å
49	V	98.4	Very high	95.9	Very high	1 Å²	1	59 Å²	59	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	126.1	176.5	-178.7	0	0	0	0	109.2	Y65 I67 F98 I100 N101 Y105	V49-Y65 HydrophobicContact CG1-CD1 3.51Å; V49-Y65 HydrophobicContact CG1-CE1 4.28Å; V49-Y65 HydrophobicContact CG1-CG 4.25Å; V49-I67 HydrophobicContact CG2-CG2 4.03Å; V49-F98 HydrophobicContact CB-CB 4.33Å; V49-F98 HydrophobicContact CG1-CB 4.32Å; V49-F98 HydrophobicContact CG2-CB 3.7Å; V49-F98 HydrophobicContact CG2-CD1 4.37Å; V49-F98 HydrophobicContact CG2-CD2 4.49Å; V49-F98 HydrophobicContact CG2-CG 3.96Å; V49-I100 HydrophobicContact CG1-CG1 4.34Å; V49-N101 PolarHBondContact O-N 3.09Å; V49-Y105 HydrophobicContact CG2-CD2 4.29Å
50	V	98.2	Very high	95.4	Very high	59 Å²	59	64.7 Å²	64.7	36%	0.358	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-17.5	-174.8	-62.5	0	0	0	0	113.5	T66 K68 I100	V50-T66 HydrophobicContact CG2-CG2 3.74Å; V50-T66 VanDerWaalsContact CG2-O 3.27Å; V50-T66 WeakPolarHBondContact CG2-O 3.48Å; V50-T66 PolarHBondContact N-O 3.36Å; V50-K68 HydrophobicContact CG1-CB 4.2Å; V50-I100 WeakPolarHBondContact O-CG2 3.4Å
51	G	97.9	Very high	95.1	Very high	19 Å²	19	60.1 Å²	60.1	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	166.2	175.6	0	0	0	0	0	112.3	Y65 T66	G51-Y65 WeakPolarHBondContact O-CA 3.47Å; G51-T66 PolarHBondContact N-O 3.42Å; G51-T66 PolarHBondContact O-N 3.01Å
52	K	97.6	Very high	95.1	Very high	129 Å²	129	61 Å²	61	56%	0.561	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	147.1	173.7	75.5	-178.1	172.7	177.6	0	110.7	M63 R64 Y65 I100	K52-M63 HydrophobicContact CB-CE 3.71Å; K52-M63 HydrophobicContact CD-CE 3.84Å; K52-M63 HydrophobicContact CG-CE 3.89Å; K52-R64 CarbonylContact C-O 3.49Å; K52-R64 VanDerWaalsContact CA-O 3.32Å; K52-R64 WeakPolarHBondContact CA-O 3.38Å; K52-Y65 HydrophobicContact CB-CD1 3.58Å; K52-Y65 HydrophobicContact CB-CE1 3.56Å; K52-Y65 HydrophobicContact CB-CG 4.5Å; K52-Y65 HydrophobicContact CD-CE1 4.14Å; K52-Y65 HydrophobicContact CG-CE1 4.49Å; K52-I100 HydrophobicContact CB-CD1 4.12Å; K52-I100 HydrophobicContact CD-CD1 3.74Å; K52-I100 HydrophobicContact CD-CG1 4.46Å; K52-I100 HydrophobicContact CG-CD1 3.65Å
53	K	97.7	Very high	95	Very high	119 Å²	119	60.5 Å²	60.5	52%	0.517	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	127.8	174.7	-175.1	178.3	-178.8	179.5	0	109	L55 R64	K53-L55 HydrophobicContact CD-CD2 4.07Å; K53-L55 HydrophobicContact CG-CD2 4.19Å; K53-R64 PolarHBondContact N-O 3.33Å; K53-R64 PolarHBondContact O-N 2.82Å
54	L	96.7	Very high	95	Very high	83 Å²	83	63.5 Å²	63.5	44%	0.435	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	123.7	168.5	-178.7	64.1	0	0	0	108.8	M63 A89	L54-M63 VanDerWaalsContact CA-SD 3.59Å; L54-M63 HydrophobicContact CB-SD 3.65Å; L54-M63 HydrophobicContact CD1-CG 4.09Å; L54-M63 HydrophobicContact CD1-SD 3.6Å; L54-M63 HydrophobicContact CG-SD 4.22Å; L54-A89 HydrophobicContact CD1-CB 3.5Å
55	L	96.1	Very high	95	Very high	37 Å²	37	63.9 Å²	63.9	19%	0.194	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	135.3	170.8	-53.4	-178.7	0	0	0	108	K53 D57 G61 T62 R64 Y86	K53-L55 HydrophobicContact CD-CD2 4.07Å; K53-L55 HydrophobicContact CG-CD2 4.19Å; L55-D57 VanDerWaalsContact C-N 3.32Å; L55-D57 PolarHBondContact O-N 3.27Å; L55-G61 WeakPolarHBondContact O-CA 3.28Å; L55-T62 WeakPolarHBondContact CB-O 3.31Å; L55-T62 PolarHBondContact N-O 3.29Å; L55-T62 PolarHBondContact O-N 3.23Å; L55-T62 VanDerWaalsContact O-N 3.12Å; L55-R64 HydrophobicContact CD1-CB 4.02Å; L55-R64 HydrophobicContact CG-CB 4.19Å; L55-Y86 HydrophobicContact CD1-CD1 4.32Å; L55-Y86 HydrophobicContact CD1-CE1 4Å
56	R	91	Very high	95.1	Very high	232 Å²	232	66.2 Å²	66.2	88%	0.875	33%	0.332	S	S	*	.			trans	-101.2	55.9	177.7	-63.9	-179.3	-178.9	-102.7	3.6	109.2	G58	R56-G58 VanDerWaalsContact C-N 3.34Å
57	D	88.9	Confident	95	Very high	97 Å²	97	63.8 Å²	63.8	52%	0.519	32%	0.323	S	S	.	.	S	Bend	trans	-91.4	5.5	-176.7	51.3	-8	0	0	0	113.4	L55 T62	L55-D57 VanDerWaalsContact C-N 3.32Å; L55-D57 PolarHBondContact O-N 3.27Å; D57-T62 VanDerWaalsContact CG-OG1 3.31Å; D57-T62 WeakPolarHBondContact OD1-CB 3.02Å; D57-T62 PolarHBondContact OD1-N 3.01Å; D57-T62 PolarHBondContact OD1-OG1 3.29Å; D57-T62 WeakPolarHBondContact OD2-CB 3.45Å; D57-T62 PolarHBondContact OD2-OG1 3.3Å
58	G	85.1	Confident	95	Very high	41 Å²	41	70.7 Å²	70.7	42%	0.423	35%	0.353	S	S	.	.	S	Bend	trans	-178.6	-177	176.5	0	0	0	0	0	112.4	R56 F60 G61	R56-G58 VanDerWaalsContact C-N 3.34Å; G58-F60 PolarHBondContact O-N 3.37Å; G58-G61 PolarHBondContact O-N 3.22Å
59	P	84.7	Confident	95	Very high	122 Å²	122	69.1 Å²	69.1	79%	0.792	35%	0.347	S	S	*	.	S	Bend	trans	-63.6	-28.9	-178.1	24.6	-33.2	0	0	0	113
60	F	86.8	Confident	95	Very high	145 Å²	145	73.5 Å²	73.5	64%	0.636	37%	0.369	S	S	*	.	S	Bend	trans	-98.9	-20.9	-177.4	-55.1	-58	0	0	0	113.8	G58 A89 L93	G58-F60 PolarHBondContact O-N 3.37Å; F60-A89 WeakPolarHBondContact O-CB 3.41Å; F60-L93 HydrophobicContact CB-CD1 3.49Å; F60-L93 VanDerWaalsContact CB-CD1 3.49Å; F60-L93 HydrophobicContact CD1-CD1 3.67Å; F60-L93 HydrophobicContact CD2-CD1 4.3Å; F60-L93 HydrophobicContact CE1-CD1 4.5Å; F60-L93 HydrophobicContact CG-CD1 3.55Å
61	G	92.5	Very high	95	Very high	10 Å²	10	74.9 Å²	74.9	10%	0.103	37%	0.37	C	S	.	.			trans	69.3	148.4	179.4	0	0	0	0	0	114.7	L55 G58 A89	L55-G61 WeakPolarHBondContact O-CA 3.28Å; G58-G61 PolarHBondContact O-N 3.22Å; G61-A89 WeakPolarHBondContact O-CB 3.44Å; G61-A89 PolarHBondContact O-N 3.01Å; G61-A89 VanDerWaalsContact O-N 3.07Å
62	T	96.4	Very high	94.9	Very high	21 Å²	21	74.5 Å²	74.5	13%	0.129	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.4	176.8	-54.1	0	0	0	0	110.9	L55 D57 Y86	L55-T62 WeakPolarHBondContact CB-O 3.31Å; L55-T62 PolarHBondContact N-O 3.29Å; L55-T62 PolarHBondContact O-N 3.23Å; L55-T62 VanDerWaalsContact O-N 3.12Å; D57-T62 VanDerWaalsContact CG-OG1 3.31Å; D57-T62 WeakPolarHBondContact OD1-CB 3.02Å; D57-T62 PolarHBondContact OD1-N 3.01Å; D57-T62 PolarHBondContact OD1-OG1 3.29Å; D57-T62 WeakPolarHBondContact OD2-CB 3.45Å; D57-T62 PolarHBondContact OD2-OG1 3.3Å; T62-Y86 HydrophobicContact CG2-CD1 4.05Å
63	M	97.5	Very high	94.9	Very high	25 Å²	25	69.8 Å²	69.8	12%	0.123	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117.1	169.5	-80.1	-62.5	-48.6	0	0	110.7	K52 L54 Y65 Y86 T87 A89	K52-M63 HydrophobicContact CB-CE 3.71Å; K52-M63 HydrophobicContact CD-CE 3.84Å; K52-M63 HydrophobicContact CG-CE 3.89Å; L54-M63 VanDerWaalsContact CA-SD 3.59Å; L54-M63 HydrophobicContact CB-SD 3.65Å; L54-M63 HydrophobicContact CD1-CG 4.09Å; L54-M63 HydrophobicContact CD1-SD 3.6Å; L54-M63 HydrophobicContact CG-SD 4.22Å; M63-Y65 HydrophobicContact CB-CE2 4.14Å; M63-Y86 WeakPolarHBondContact O-CA 3.48Å; M63-T87 HydrophobicContact CB-CG2 4Å; M63-T87 PolarHBondContact N-O 3.21Å; M63-T87 PolarHBondContact O-N 3.38Å; M63-A89 HydrophobicContact CG-CB 3.76Å
64	R	98	Very high	94.9	Very high	62 Å²	62	65.8 Å²	65.8	23%	0.234	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.1	173.4	-173.4	-175.1	70	174.5	6.6	110.4	K52 K53 L55 H84 I85 Y86	K52-R64 CarbonylContact C-O 3.49Å; K52-R64 VanDerWaalsContact CA-O 3.32Å; K52-R64 WeakPolarHBondContact CA-O 3.38Å; K53-R64 PolarHBondContact N-O 3.33Å; K53-R64 PolarHBondContact O-N 2.82Å; L55-R64 HydrophobicContact CD1-CB 4.02Å; L55-R64 HydrophobicContact CG-CB 4.19Å; R64-H84 HydrophobicContact CG-CB 4.15Å; R64-I85 CarbonylContact C-O 3.58Å; R64-I85 WeakPolarHBondContact CA-O 3.4Å; R64-Y86 HydrophobicContact CB-CD1 4.1Å; R64-Y86 HydrophobicContact CB-CE1 4.06Å; R64-Y86 HydrophobicContact CG-CD1 4.01Å; R64-Y86 HydrophobicContact CG-CE1 3.64Å; R64-Y86 HydrophobicContact CG-CE2 4.5Å
65	Y	98.5	Very high	94.9	Very high	8 Å²	8	61.9 Å²	61.9	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.5	173	-70.3	-81.2	0	0	0	110.8	V49 G51 K52 M63 H84 I85 T87 V96 F98	V49-Y65 HydrophobicContact CG1-CD1 3.51Å; V49-Y65 HydrophobicContact CG1-CE1 4.28Å; V49-Y65 HydrophobicContact CG1-CG 4.25Å; G51-Y65 WeakPolarHBondContact O-CA 3.47Å; K52-Y65 HydrophobicContact CB-CD1 3.58Å; K52-Y65 HydrophobicContact CB-CE1 3.56Å; K52-Y65 HydrophobicContact CB-CG 4.5Å; K52-Y65 HydrophobicContact CD-CE1 4.14Å; K52-Y65 HydrophobicContact CG-CE1 4.49Å; M63-Y65 HydrophobicContact CB-CE2 4.14Å; Y65-H84 VanDerWaalsContact O-CA 3.29Å; Y65-H84 WeakPolarHBondContact O-CA 3.48Å; Y65-I85 PolarHBondContact N-O 3.44Å; Y65-I85 PolarHBondContact O-N 3.13Å; Y65-T87 HydrophobicContact CD2-CG2 4.18Å; Y65-T87 HydrophobicContact CE2-CG2 3.73Å; Y65-V96 WeakPolarHBondContact CE2-O 3.45Å; Y65-V96 PolarHBondContact OH-O 3.29Å; Y65-F98 HydrophobicContact CD1-CB 4.31Å; Y65-F98 HydrophobicContact CD1-CD2 4.41Å; Y65-F98 AromaticContact CD2-CD2 3.79Å; Y65-F98 HydrophobicContact CD2-CD2 3.79Å; Y65-F98 HydrophobicContact CD2-CE2 4.38Å; Y65-F98 HydrophobicContact CE1-CB 3.98Å; Y65-F98 HydrophobicContact CE1-CD2 4.38Å; Y65-F98 AromaticContact CE2-CD2 3.78Å; Y65-F98 HydrophobicContact CE2-CD2 3.78Å; Y65-F98 HydrophobicContact CG-CD2 4.1Å; Y65-F98 PolarHBondContact OH-N 2.9Å
66	T	98.6	Very high	94.8	Very high	49 Å²	49	65.4 Å²	65.4	30%	0.301	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	129	166.7	-55.2	0	0	0	0	108	V50 G51	V50-T66 HydrophobicContact CG2-CG2 3.74Å; V50-T66 VanDerWaalsContact CG2-O 3.27Å; V50-T66 WeakPolarHBondContact CG2-O 3.48Å; V50-T66 PolarHBondContact N-O 3.36Å; G51-T66 PolarHBondContact N-O 3.42Å; G51-T66 PolarHBondContact O-N 3.01Å
67	I	98.4	Very high	95	Very high	9 Å²	9	60.8 Å²	60.8	5%	0.046	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	150	-174.8	66.5	84.6	0	0	0	111.2	I45 A47 K48 V49 Q69 V82 Q83 I85	I45-I67 HydrophobicContact CD1-CD1 4.27Å; A47-I67 HydrophobicContact CB-CB 4.16Å; A47-I67 HydrophobicContact CB-CD1 3.86Å; A47-I67 HydrophobicContact CB-CG1 4.36Å; K48-I67 CarbonylContact O-C 3.51Å; K48-I67 WeakPolarHBondContact O-CA 3.1Å; V49-I67 HydrophobicContact CG2-CG2 4.03Å; I67-Q69 HydrophobicContact CD1-CB 3.86Å; I67-V82 HydrophobicContact CD1-CB 4.36Å; I67-V82 HydrophobicContact CD1-CG1 4.24Å; I67-V82 WeakPolarHBondContact CD1-O 3.21Å; I67-V82 HydrophobicContact CG1-CG1 4.42Å; I67-Q83 PolarHBondContact N-O 3.23Å; I67-I85 HydrophobicContact CG1-CD1 4.04Å; I67-I85 HydrophobicContact CG1-CG1 4.09Å; I67-I85 HydrophobicContact CG2-CD1 3.94Å; I67-I85 HydrophobicContact CG2-CG1 4.25Å
68	K	98.3	Very high	95.2	Very high	146 Å²	146	60.9 Å²	60.9	64%	0.635	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	101.8	164.9	-175.5	177.7	-177.7	175.9	0	107.6	A47 K48 V50 M70	A47-K68 WeakPolarHBondContact CA-O 3.17Å; K48-K68 PolarHBondContact N-O 3.48Å; K48-K68 PolarHBondContact O-N 3.32Å; V50-K68 HydrophobicContact CG1-CB 4.2Å; K68-M70 PolarHBondContact O-N 3.13Å
69	Q	98	Very high	95.6	Very high	38 Å²	38	59.9 Å²	59.9	18%	0.178	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	125	175.1	-179.3	-178.2	-55.7	0	0	109.1	I67	I67-Q69 HydrophobicContact CD1-CB 3.86Å
70	M	97.6	Very high	96	Very high	93 Å²	93	61.7 Å²	61.7	46%	0.458	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-38.9	178.4	-56.8	-178.6	71.1	0	0	111.5	R46 K68 Q104	R46-M70 HydrophobicContact CG-CB 4.43Å; R46-M70 HydrophobicContact CG-SD 4.48Å; R46-M70 WeakPolarHBondContact O-CA 3.47Å; R46-M70 WeakPolarHBondContact O-CB 3.45Å; R46-M70 PolarHBondContact O-N 2.78Å; K68-M70 PolarHBondContact O-N 3.13Å; M70-Q104 HydrophobicContact SD-CB 4.41Å; M70-Q104 HydrophobicContact SD-CG 3.77Å; M70-Q104 PolarHBondContact SD-OE1 2.96Å
71	K	97.6	Very high	96.4	Very high	87 Å²	87	59.4 Å²	59.4	38%	0.378	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	141.7	177.4	-175	166.1	-178.8	179.6	0	110.4	I45 R46 Y73 N139	I45-K71 CarbonylContact C-O 3.59Å; I45-K71 VanDerWaalsContact CA-O 3.3Å; I45-K71 WeakPolarHBondContact CA-O 3.46Å; R46-K71 HydrophobicContact CB-CB 4.34Å; R46-K71 PolarHBondContact N-O 3.16Å; R46-K71 PolarHBondContact O-N 2.72Å; R46-K71 VanDerWaalsContact O-N 3.11Å; K71-Y73 HydrophobicContact CD-CD1 4.26Å; K71-Y73 HydrophobicContact CD-CE1 3.57Å; K71-Y73 HydrophobicContact CG-CD1 4.45Å; K71-Y73 HydrophobicContact CG-CE1 4.09Å; K71-Y73 HydrophobicContact CG-CE2 4.38Å; K71-N139 PolarHBondContact NZ-OD1 2.53Å
72	M	97.7	Very high	96.6	Very high	12 Å²	12	59.1 Å²	59.1	6%	0.059	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.9	166.8	-176.7	175.3	-76.4	0	0	108.9	I45 K74 F76 V79 V82	I45-M72 HydrophobicContact CG2-CB 4.16Å; I45-M72 HydrophobicContact CG2-CE 4.12Å; I45-M72 HydrophobicContact CG2-CG 4.06Å; M72-K74 WeakPolarHBondContact CG-O 3.44Å; M72-F76 HydrophobicContact CB-CD1 4.44Å; M72-F76 HydrophobicContact CB-CE1 3.77Å; M72-F76 HydrophobicContact CB-CZ 3.84Å; M72-F76 HydrophobicContact CG-CD1 4.13Å; M72-F76 HydrophobicContact CG-CD2 4.35Å; M72-F76 HydrophobicContact CG-CE1 3.85Å; M72-F76 HydrophobicContact CG-CE2 4.08Å; M72-F76 HydrophobicContact CG-CG 4.38Å; M72-F76 HydrophobicContact CG-CZ 3.83Å; M72-F76 VanDerWaalsContact O-CZ 3.29Å; M72-F76 WeakPolarHBondContact O-CZ 3.44Å; M72-F76 HydrophobicContact SD-CB 4.36Å; M72-F76 HydrophobicContact SD-CD1 3.55Å; M72-F76 VanDerWaalsContact SD-CD1 3.55Å; M72-F76 HydrophobicContact SD-CD2 4.3Å; M72-F76 HydrophobicContact SD-CE1 3.86Å; M72-F76 HydrophobicContact SD-CG 3.81Å; M72-F76 HydrophobicContact SD-CZ 4.35Å; M72-V79 VanDerWaalsContact CE-O 3.28Å; M72-V79 WeakPolarHBondContact CE-O 3.43Å; M72-V82 HydrophobicContact CE-CG2 4.04Å
73	Y	97.6	Very high	96.6	Very high	30 Å²	30	63.8 Å²	63.8	12%	0.118	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-28	177.9	-60.8	-78.9	0	0	0	112	V44 R46 K71 L106 W127 F138 N139	V44-Y73 HydrophobicContact CG1-CD2 4.18Å; V44-Y73 PolarHBondContact O-N 3.25Å; R46-Y73 HydrophobicContact CB-CE2 3.89Å; K71-Y73 HydrophobicContact CD-CD1 4.26Å; K71-Y73 HydrophobicContact CD-CE1 3.57Å; K71-Y73 HydrophobicContact CG-CD1 4.45Å; K71-Y73 HydrophobicContact CG-CE1 4.09Å; K71-Y73 HydrophobicContact CG-CE2 4.38Å; Y73-L106 HydrophobicContact CD2-CD1 3.86Å; Y73-L106 HydrophobicContact CE2-CD1 3.59Å; Y73-W127 HydrophobicContact CE2-CZ3 4.34Å; Y73-W127 WeakPolarHBondContact OH-CH2 3.5Å; Y73-W127 VanDerWaalsContact OH-CZ3 3.31Å; Y73-W127 WeakPolarHBondContact OH-CZ3 3.38Å; Y73-F138 WeakPolarHBondContact CD1-O 3.46Å; Y73-N139 HydrophobicContact CE1-CB 4.32Å
74	K	97.6	Very high	96.6	Very high	35 Å²	35	65 Å²	65	15%	0.152	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	150	178.2	-175.4	-179.8	-178.2	-171.4	0	109.8	F38 C39 S41 I43 V44 M72	F38-K74 HydrophobicContact CE1-CD 4.16Å; F38-K74 HydrophobicContact CE2-CB 3.93Å; F38-K74 HydrophobicContact CE2-CD 4.43Å; F38-K74 HydrophobicContact CZ-CB 3.98Å; F38-K74 HydrophobicContact CZ-CD 4.11Å; F38-K74 HydrophobicContact CZ-CG 4.44Å; F38-K74 WeakPolarHBondContact O-CD 3.12Å; F38-K74 PolarHBondContact O-NZ 3.3Å; C39-K74 PolarHBondContact O-NZ 2.63Å; S41-K74 WeakPolarHBondContact O-CD 3.46Å; S41-K74 WeakPolarHBondContact O-CE 3.46Å; S41-K74 PolarHBondContact O-NZ 2.99Å; I43-K74 WeakPolarHBondContact CA-O 3.21Å; V44-K74 HydrophobicContact CB-CB 4Å; V44-K74 HydrophobicContact CG2-CB 3.98Å; V44-K74 HydrophobicContact CG2-CD 4.34Å; V44-K74 PolarHBondContact N-O 2.05Å; V44-K74 PolarHBondContact O-N 3.3Å; M72-K74 WeakPolarHBondContact CG-O 3.44Å
75	G	95.7	Very high	96.6	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.288	C	S	.	.			trans	102.1	16.4	172.4	0	0	0	0	0	115.2	D42 E77 K78 V79	D42-G75 WeakPolarHBondContact O-CA 3.11Å; G75-E77 PolarHBondContact O-N 3.03Å; G75-K78 PolarHBondContact O-N 3.36Å; G75-V79 PolarHBondContact O-N 3.22Å
76	F	94.9	Very high	96.6	Very high	112 Å²	112	62.9 Å²	62.9	49%	0.491	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.6	178.6	-62.2	-86.6	0	0	0	112.5	M72 Q80	M72-F76 HydrophobicContact CB-CD1 4.44Å; M72-F76 HydrophobicContact CB-CE1 3.77Å; M72-F76 HydrophobicContact CB-CZ 3.84Å; M72-F76 HydrophobicContact CG-CD1 4.13Å; M72-F76 HydrophobicContact CG-CD2 4.35Å; M72-F76 HydrophobicContact CG-CE1 3.85Å; M72-F76 HydrophobicContact CG-CE2 4.08Å; M72-F76 HydrophobicContact CG-CG 4.38Å; M72-F76 HydrophobicContact CG-CZ 3.83Å; M72-F76 VanDerWaalsContact O-CZ 3.29Å; M72-F76 WeakPolarHBondContact O-CZ 3.44Å; M72-F76 HydrophobicContact SD-CB 4.36Å; M72-F76 HydrophobicContact SD-CD1 3.55Å; M72-F76 VanDerWaalsContact SD-CD1 3.55Å; M72-F76 HydrophobicContact SD-CD2 4.3Å; M72-F76 HydrophobicContact SD-CE1 3.86Å; M72-F76 HydrophobicContact SD-CG 3.81Å; M72-F76 HydrophobicContact SD-CZ 4.35Å; F76-Q80 PolarHBondContact O-NE2 2.87Å
77	E	93.9	Very high	96.6	Very high	135 Å²	135	60.8 Å²	60.8	63%	0.631	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-20.6	177.6	70.3	-69.5	168.4	0	0	113.5	G75	G75-E77 PolarHBondContact O-N 3.03Å
78	K	94.1	Very high	96.5	Very high	99 Å²	99	63.7 Å²	63.7	43%	0.43	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-43.5	-178.1	-65.4	-172.5	171	-159	0	112.4	D42 G75 V111	D42-K78 HydrophobicContact CB-CD 3.69Å; D42-K78 IonicContact OD1-NZ 2.64Å; D42-K78 PolarHBondContact OD1-NZ 3.37Å; D42-K78 IonicContact OD2-NZ 3.65Å; G75-K78 PolarHBondContact O-N 3.36Å; K78-V111 HydrophobicContact CB-CG2 4.26Å; K78-V111 HydrophobicContact CD-CG2 4.46Å
79	V	93.7	Very high	96.3	Very high	20 Å²	20	58.4 Å²	58.4	12%	0.121	28%	0.277	C	S	.	.			trans	-141.6	121.3	-177.6	-178.7	0	0	0	0	108.9	M72 G75 V82 V111 V116	M72-V79 VanDerWaalsContact CE-O 3.28Å; M72-V79 WeakPolarHBondContact CE-O 3.43Å; G75-V79 PolarHBondContact O-N 3.22Å; V79-V82 HydrophobicContact CB-CG2 4.49Å; V79-V82 HydrophobicContact CG1-CG2 3.94Å; V79-V111 HydrophobicContact CG2-CG1 3.9Å; V79-V111 HydrophobicContact CG2-CG2 3.84Å; V79-V116 HydrophobicContact CG2-CG2 4.48Å
80	Q	91.9	Very high	96.1	Very high	159 Å²	159	58.9 Å²	58.9	74%	0.743	29%	0.285	S	S	*	.	S	Bend	trans	-67.3	-41.8	179.4	-67.1	-62	-36.5	0	0	112.2	F76	F76-Q80 PolarHBondContact O-NE2 2.87Å
81	H	94.7	Very high	95.8	Very high	98 Å²	98	58.3 Å²	58.3	45%	0.454	28%	0.281	S	S	.	.			trans	-150.2	125.6	-179.3	-174	76	0	0	0	111.5
82	V	96.8	Very high	95.5	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.018	28%	0.283	C	S	.	.			trans	-90.1	117.2	179.4	-174.7	0	0	0	0	109.1	I45 I67 M72 V79 H84 I85 V116	I45-V82 HydrophobicContact CD1-CB 3.99Å; I45-V82 HydrophobicContact CD1-CG1 3.98Å; I45-V82 HydrophobicContact CD1-CG2 4.22Å; I45-V82 HydrophobicContact CG2-CG2 4.42Å; I67-V82 HydrophobicContact CD1-CB 4.36Å; I67-V82 HydrophobicContact CD1-CG1 4.24Å; I67-V82 WeakPolarHBondContact CD1-O 3.21Å; I67-V82 HydrophobicContact CG1-CG1 4.42Å; M72-V82 HydrophobicContact CE-CG2 4.04Å; V79-V82 HydrophobicContact CB-CG2 4.49Å; V79-V82 HydrophobicContact CG1-CG2 3.94Å; V82-H84 WeakPolarHBondContact CG1-O 3.12Å; V82-I85 HydrophobicContact CG1-CG1 3.98Å; V82-V116 HydrophobicContact CG1-CB 4.18Å; V82-V116 HydrophobicContact CG1-CG2 3.84Å; V82-V116 HydrophobicContact CG2-CG2 3.91Å
83	Q	97.4	Very high	95.3	Very high	119 Å²	119	59.6 Å²	59.6	56%	0.556	30%	0.297	S	S	*	.			trans	-101.6	-29.4	173.5	-62	-176.8	-2.8	0	0	112.3	I67	I67-Q83 PolarHBondContact N-O 3.23Å
84	H	98.1	Very high	95.2	Very high	52 Å²	52	59.9 Å²	59.9	24%	0.241	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.9	-173.9	-61.3	-45.5	0	0	0	111.2	R64 Y65 V82 Y86	R64-H84 HydrophobicContact CG-CB 4.15Å; Y65-H84 VanDerWaalsContact O-CA 3.29Å; Y65-H84 WeakPolarHBondContact O-CA 3.48Å; V82-H84 WeakPolarHBondContact CG1-O 3.12Å; H84-Y86 HydrophobicContact CB-CE2 3.7Å
85	I	98.1	Very high	95.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.8	173	-58.2	177.5	0	0	0	107.7	I45 R64 Y65 I67 V82 I107 V116 T118	I45-I85 HydrophobicContact CD1-CD1 4Å; R64-I85 CarbonylContact C-O 3.58Å; R64-I85 WeakPolarHBondContact CA-O 3.4Å; Y65-I85 PolarHBondContact N-O 3.44Å; Y65-I85 PolarHBondContact O-N 3.13Å; I67-I85 HydrophobicContact CG1-CD1 4.04Å; I67-I85 HydrophobicContact CG1-CG1 4.09Å; I67-I85 HydrophobicContact CG2-CD1 3.94Å; I67-I85 HydrophobicContact CG2-CG1 4.25Å; V82-I85 HydrophobicContact CG1-CG1 3.98Å; I85-I107 HydrophobicContact CD1-CB 4.44Å; I85-I107 HydrophobicContact CD1-CD1 3.52Å; I85-I107 HydrophobicContact CD1-CG2 3.94Å; I85-V116 WeakPolarHBondContact CA-O 3.47Å; I85-V116 HydrophobicContact CG1-CG1 4.21Å; I85-V116 HydrophobicContact CG2-CG1 4.36Å; I85-T118 HydrophobicContact CG2-CG2 3.51Å
86	Y	97.9	Very high	95.2	Very high	25 Å²	25	58.9 Å²	58.9	10%	0.098	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.1	-175.6	-59.6	-101	0	0	0	109.2	L55 T62 M63 R64 H84 K115 V116 Y117 T118	L55-Y86 HydrophobicContact CD1-CD1 4.32Å; L55-Y86 HydrophobicContact CD1-CE1 4Å; T62-Y86 HydrophobicContact CG2-CD1 4.05Å; M63-Y86 WeakPolarHBondContact O-CA 3.48Å; R64-Y86 HydrophobicContact CB-CD1 4.1Å; R64-Y86 HydrophobicContact CB-CE1 4.06Å; R64-Y86 HydrophobicContact CG-CD1 4.01Å; R64-Y86 HydrophobicContact CG-CE1 3.64Å; R64-Y86 HydrophobicContact CG-CE2 4.5Å; H84-Y86 HydrophobicContact CB-CE2 3.7Å; Y86-K115 HydrophobicContact CD2-CB 3.84Å; Y86-K115 HydrophobicContact CD2-CG 4.26Å; Y86-K115 HydrophobicContact CE1-CD 4.29Å; Y86-K115 HydrophobicContact CE2-CB 3.78Å; Y86-K115 HydrophobicContact CE2-CD 4.15Å; Y86-K115 HydrophobicContact CE2-CG 3.74Å; Y86-V116 WeakPolarHBondContact CD2-O 3.42Å; Y86-V116 PolarHBondContact N-O 3.2Å; Y86-Y117 VanDerWaalsContact CB-CE1 3.47Å; Y86-Y117 HydrophobicContact CG-CE1 4.22Å; Y86-Y117 CarbonylContact O-C 3.57Å; Y86-Y117 VanDerWaalsContact O-CA 3.3Å; Y86-Y117 WeakPolarHBondContact O-CA 3.23Å; Y86-T118 PolarHBondContact O-N 2.83Å
87	T	97.7	Very high	95.3	Very high	4 Å²	4	59.8 Å²	59.8	3%	0.025	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	159.1	176.8	-167.2	0	0	0	0	108.2	M63 Y65 G95 V96 T118	M63-T87 HydrophobicContact CB-CG2 4Å; M63-T87 PolarHBondContact N-O 3.21Å; M63-T87 PolarHBondContact O-N 3.38Å; Y65-T87 HydrophobicContact CD2-CG2 4.18Å; Y65-T87 HydrophobicContact CE2-CG2 3.73Å; T87-G95 WeakPolarHBondContact OG1-CA 3.31Å; T87-V96 HydrophobicContact CG2-CB 4.45Å; T87-V96 PolarHBondContact OG1-N 3Å; T87-T118 WeakPolarHBondContact CA-O 3.35Å; T87-T118 WeakPolarHBondContact CB-O 3.23Å; T87-T118 PolarHBondContact OG1-O 2.94Å
88	D	96.1	Very high	95.4	Very high	70 Å²	70	54 Å²	54	37%	0.374	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	150.4	175.4	-69	-72.1	0	0	0	111.6	S90 L93 G95	D88-S90 VanDerWaalsContact C-N 3.31Å; D88-S90 PolarHBondContact O-N 3.02Å; D88-L93 HydrophobicContact CB-CB 4Å; D88-G95 WeakPolarHBondContact O-CA 3Å
89	A	94.9	Very high	95.6	Very high	36 Å²	36	52.3 Å²	52.3	30%	0.298	27%	0.27	S	S	.	.	S	Bend	trans	-73.4	-23.2	-177.1	0	0	0	0	0	114.4	L54 F60 G61 M63	L54-A89 HydrophobicContact CD1-CB 3.5Å; F60-A89 WeakPolarHBondContact O-CB 3.41Å; G61-A89 WeakPolarHBondContact O-CB 3.44Å; G61-A89 PolarHBondContact O-N 3.01Å; G61-A89 VanDerWaalsContact O-N 3.07Å; M63-A89 HydrophobicContact CG-CB 3.76Å
90	S	92.9	Very high	95.8	Very high	48 Å²	48	54.3 Å²	54.3	34%	0.336	28%	0.279	S	S	.	.	S	Bend	trans	-111.8	139.3	179.6	-174.4	0	0	0	0	111.7	D88 S92 L93 G95	D88-S90 VanDerWaalsContact C-N 3.31Å; D88-S90 PolarHBondContact O-N 3.02Å; S90-S92 PolarHBondContact O-N 3.19Å; S90-S92 PolarHBondContact OG-N 3.32Å; S90-S92 PolarHBondContact OG-OG 2.8Å; S90-L93 CarbonylContact O-C 3.56Å; S90-L93 PolarHBondContact O-N 2.91Å; S90-L93 VanDerWaalsContact O-N 3.08Å; S90-G95 WeakPolarHBondContact O-CA 3.05Å; S90-G95 PolarHBondContact O-N 3.36Å
91	E	92.7	Very high	95.9	Very high	81 Å²	81	51.1 Å²	51.1	38%	0.379	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-62.4	-31	171.7	-77.4	169	171.5	0	0	112.2	C27 L93 C94 G95 K97 L120	C27-E91 WeakPolarHBondContact CB-O 3.48Å; E91-L93 PolarHBondContact O-N 2.99Å; E91-L93 VanDerWaalsContact O-N 3.16Å; E91-C94 PolarHBondContact O-N 3.08Å; E91-G95 WeakPolarHBondContact CA-O 3.27Å; E91-G95 WeakPolarHBondContact CG-O 3.33Å; E91-K97 HydrophobicContact CG-CD 4.29Å; E91-K97 HydrophobicContact CG-CG 4.14Å; E91-K97 WeakPolarHBondContact OE1-CD 3.37Å; E91-K97 VanDerWaalsContact OE1-CE 3.23Å; E91-K97 WeakPolarHBondContact OE1-CE 3.5Å; E91-K97 VanDerWaalsContact OE1-CG 3.28Å; E91-K97 WeakPolarHBondContact OE1-CG 3.18Å; E91-K97 IonicContact OE1-NZ 2.9Å; E91-K97 PolarHBondContact OE1-NZ 3.35Å; E91-K97 VanDerWaalsContact OE1-NZ 3.16Å; E91-K97 IonicContact OE2-NZ 3.62Å; E91-K97 PolarHBondContact OE2-NZ 2.96Å; E91-L120 HydrophobicContact CB-CD1 4.15Å; E91-L120 HydrophobicContact CG-CD1 4.38Å; E91-L120 WeakPolarHBondContact O-CD1 3.45Å
92	S	91.9	Very high	96	Very high	61 Å²	61	52.2 Å²	52.2	43%	0.427	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-61.1	-23.7	175.1	62.5	0	0	0	0	112.7	C27 S90	C27-S92 PolarHBondContact N-O 3.4Å; S90-S92 PolarHBondContact O-N 3.19Å; S90-S92 PolarHBondContact OG-N 3.32Å; S90-S92 PolarHBondContact OG-OG 2.8Å
93	L	92.8	Very high	96.1	Very high	65 Å²	65	54.5 Å²	54.5	34%	0.34	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-103.5	23.5	176.7	-61.2	174.8	0	0	0	112.1	F60 D88 S90 E91 G95	F60-L93 HydrophobicContact CB-CD1 3.49Å; F60-L93 VanDerWaalsContact CB-CD1 3.49Å; F60-L93 HydrophobicContact CD1-CD1 3.67Å; F60-L93 HydrophobicContact CD2-CD1 4.3Å; F60-L93 HydrophobicContact CE1-CD1 4.5Å; F60-L93 HydrophobicContact CG-CD1 3.55Å; D88-L93 HydrophobicContact CB-CB 4Å; S90-L93 CarbonylContact O-C 3.56Å; S90-L93 PolarHBondContact O-N 2.91Å; S90-L93 VanDerWaalsContact O-N 3.08Å; E91-L93 PolarHBondContact O-N 2.99Å; E91-L93 VanDerWaalsContact O-N 3.16Å; L93-G95 VanDerWaalsContact C-N 3.28Å; L93-G95 PolarHBondContact O-N 2.76Å
94	C	95	Very high	96.1	Very high	35 Å²	35	51.6 Å²	51.6	24%	0.236	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	20.1	-177.7	-53.2	0	0	0	0	115	C27 E91 G119 L120	C27-C94 HydrophobicContact CB-CB 3.94Å; C27-C94 WeakPolarHBondContact CB-SG 3.07Å; C27-C94 WeakPolarHBondContact SG-CA 3.15Å; C27-C94 WeakPolarHBondContact SG-CB 3.24Å; C27-C94 CovalentContact SG-SG 2.02Å; C27-C94 PolarHBondContact SG-SG 3.16Å; E91-C94 PolarHBondContact O-N 3.08Å; C94-G119 CarbonylContact O-C 3.6Å; C94-G119 WeakPolarHBondContact O-CA 3.04Å; C94-L120 HydrophobicContact CB-CB 4.41Å; C94-L120 PolarHBondContact O-N 2.96Å
95	G	96.4	Very high	96.1	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.021	26%	0.257	C	S	.	.			trans	-69.3	137.2	172.3	0	0	0	0	0	113.4	T87 D88 S90 E91 L93 L120	T87-G95 WeakPolarHBondContact OG1-CA 3.31Å; D88-G95 WeakPolarHBondContact O-CA 3Å; S90-G95 WeakPolarHBondContact O-CA 3.05Å; S90-G95 PolarHBondContact O-N 3.36Å; E91-G95 WeakPolarHBondContact CA-O 3.27Å; E91-G95 WeakPolarHBondContact CG-O 3.33Å; L93-G95 VanDerWaalsContact C-N 3.28Å; L93-G95 PolarHBondContact O-N 2.76Å; G95-L120 WeakPolarHBondContact O-CD2 3.35Å; G95-L120 WeakPolarHBondContact O-CG 3.34Å
96	V	97.1	Very high	96.1	Very high	13 Å²	13	49.7 Å²	49.7	8%	0.079	26%	0.257	C	S	.	.			trans	-98.9	127.2	-178.6	-176.3	0	0	0	0	111.1	Y65 T87 F98 T118 G119 L120 N124	Y65-V96 WeakPolarHBondContact CE2-O 3.45Å; Y65-V96 PolarHBondContact OH-O 3.29Å; T87-V96 HydrophobicContact CG2-CB 4.45Å; T87-V96 PolarHBondContact OG1-N 3Å; V96-F98 HydrophobicContact CB-CE2 3.96Å; V96-F98 HydrophobicContact CB-CZ 4.17Å; V96-F98 HydrophobicContact CG1-CD1 4.22Å; V96-F98 HydrophobicContact CG1-CD2 4.08Å; V96-F98 HydrophobicContact CG1-CE1 3.79Å; V96-F98 HydrophobicContact CG1-CE2 3.63Å; V96-F98 HydrophobicContact CG1-CG 4.36Å; V96-F98 HydrophobicContact CG1-CZ 3.48Å; V96-F98 VanDerWaalsContact CG1-CZ 3.48Å; V96-T118 HydrophobicContact CG2-CG2 4.45Å; V96-G119 VanDerWaalsContact CG2-O 3.29Å; V96-G119 WeakPolarHBondContact CG2-O 3.28Å; V96-L120 HydrophobicContact CG2-CD2 4.14Å; V96-L120 HydrophobicContact CG2-CG 4.42Å; V96-N124 HydrophobicContact CG1-CB 4.42Å
97	K	96.3	Very high	96.2	Very high	130 Å²	130	48.5 Å²	48.5	57%	0.565	25%	0.252	S	S	*	.			trans	-92.7	104.5	172.8	-66.2	-171.7	-165.9	143.9	0	111.8	E91	E91-K97 HydrophobicContact CG-CD 4.29Å; E91-K97 HydrophobicContact CG-CG 4.14Å; E91-K97 WeakPolarHBondContact OE1-CD 3.37Å; E91-K97 VanDerWaalsContact OE1-CE 3.23Å; E91-K97 WeakPolarHBondContact OE1-CE 3.5Å; E91-K97 VanDerWaalsContact OE1-CG 3.28Å; E91-K97 WeakPolarHBondContact OE1-CG 3.18Å; E91-K97 IonicContact OE1-NZ 2.9Å; E91-K97 PolarHBondContact OE1-NZ 3.35Å; E91-K97 VanDerWaalsContact OE1-NZ 3.16Å; E91-K97 IonicContact OE2-NZ 3.62Å; E91-K97 PolarHBondContact OE2-NZ 2.96Å
98	F	97.4	Very high	96.2	Very high	13 Å²	13	48.3 Å²	48.3	6%	0.057	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-88.7	143.4	170.4	-62.5	-73.2	0	0	0	112.9	V49 Y65 V96 Y105 I107 T118 N124	V49-F98 HydrophobicContact CB-CB 4.33Å; V49-F98 HydrophobicContact CG1-CB 4.32Å; V49-F98 HydrophobicContact CG2-CB 3.7Å; V49-F98 HydrophobicContact CG2-CD1 4.37Å; V49-F98 HydrophobicContact CG2-CD2 4.49Å; V49-F98 HydrophobicContact CG2-CG 3.96Å; Y65-F98 HydrophobicContact CD1-CB 4.31Å; Y65-F98 HydrophobicContact CD1-CD2 4.41Å; Y65-F98 AromaticContact CD2-CD2 3.79Å; Y65-F98 HydrophobicContact CD2-CD2 3.79Å; Y65-F98 HydrophobicContact CD2-CE2 4.38Å; Y65-F98 HydrophobicContact CE1-CB 3.98Å; Y65-F98 HydrophobicContact CE1-CD2 4.38Å; Y65-F98 AromaticContact CE2-CD2 3.78Å; Y65-F98 HydrophobicContact CE2-CD2 3.78Å; Y65-F98 HydrophobicContact CG-CD2 4.1Å; Y65-F98 PolarHBondContact OH-N 2.9Å; V96-F98 HydrophobicContact CB-CE2 3.96Å; V96-F98 HydrophobicContact CB-CZ 4.17Å; V96-F98 HydrophobicContact CG1-CD1 4.22Å; V96-F98 HydrophobicContact CG1-CD2 4.08Å; V96-F98 HydrophobicContact CG1-CE1 3.79Å; V96-F98 HydrophobicContact CG1-CE2 3.63Å; V96-F98 HydrophobicContact CG1-CG 4.36Å; V96-F98 HydrophobicContact CG1-CZ 3.48Å; V96-F98 VanDerWaalsContact CG1-CZ 3.48Å; F98-Y105 HydrophobicContact CB-CE2 4.49Å; F98-Y105 AromaticContact CD1-CD1 3.88Å; F98-Y105 HydrophobicContact CD1-CD1 3.88Å; F98-Y105 HydrophobicContact CD1-CD2 4.04Å; F98-Y105 AromaticContact CD1-CE1 3.94Å; F98-Y105 HydrophobicContact CD1-CE1 3.94Å; F98-Y105 HydrophobicContact CD1-CE2 4.1Å; F98-Y105 AromaticContact CD1-CG 3.91Å; F98-Y105 HydrophobicContact CD1-CG 3.91Å; F98-Y105 HydrophobicContact CE1-CD1 4.06Å; F98-Y105 HydrophobicContact CE1-CE1 4.49Å; F98-Y105 HydrophobicContact CE1-CG 4.14Å; F98-I107 HydrophobicContact CE1-CD1 4.01Å; F98-I107 HydrophobicContact CE1-CG1 4.08Å; F98-I107 HydrophobicContact CZ-CD1 3.94Å; F98-I107 HydrophobicContact CZ-CG1 4.1Å; F98-T118 HydrophobicContact CE2-CG2 4.09Å; F98-T118 HydrophobicContact CZ-CG2 4.18Å; F98-N124 HydrophobicContact CE1-CB 4.24Å; F98-N124 HydrophobicContact CZ-CB 4.3Å
99	E	97.2	Very high	96.3	Very high	64 Å²	64	45 Å²	45	30%	0.299	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-86.8	118.2	174	-64.4	174.9	-105.6	0	0	110.2	K102 Y103 Y105 R126	E99-K102 HydrophobicContact CB-CB 4.13Å; E99-K102 HydrophobicContact CB-CD 4.3Å; E99-K102 WeakPolarHBondContact OE2-CD 3.29Å; E99-K102 WeakPolarHBondContact OE2-CE 3.13Å; E99-K102 IonicContact OE2-NZ 2.73Å; E99-K102 PolarHBondContact OE2-NZ 3.17Å; E99-Y103 HydrophobicContact CB-CD2 4.18Å; E99-Y103 VanDerWaalsContact OE1-CE2 3.25Å; E99-Y103 WeakPolarHBondContact OE1-CE2 3.39Å; E99-Y105 WeakPolarHBondContact CB-OH 3.01Å; E99-Y105 PolarHBondContact N-OH 2.85Å; E99-Y105 VanDerWaalsContact N-OH 3.13Å; E99-R126 IonicContact OE1-CZ 2.71Å; E99-R126 IonicContact OE1-NE 3.16Å; E99-R126 IonicContact OE1-NH2 3.53Å; E99-R126 PolarHBondContact OE1-NH2 2.03Å
100	I	97.5	Very high	96.4	Very high	62 Å²	62	50.8 Å²	50.8	32%	0.318	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	136.7	-175.8	-50.9	174.7	0	0	0	110	V49 V50 K52 K102	V49-I100 HydrophobicContact CG1-CG1 4.34Å; V50-I100 WeakPolarHBondContact O-CG2 3.4Å; K52-I100 HydrophobicContact CB-CD1 4.12Å; K52-I100 HydrophobicContact CD-CD1 3.74Å; K52-I100 HydrophobicContact CD-CG1 4.46Å; K52-I100 HydrophobicContact CG-CD1 3.65Å; I100-K102 PolarHBondContact O-N 2.92Å
101	N	95.9	Very high	96.6	Very high	92 Å²	92	50 Å²	50	49%	0.492	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	5.3	174.6	-69.5	-38.4	0	0	0	116.6	K48 V49	K48-N101 WeakPolarHBondContact CE-O 3.48Å; K48-N101 PolarHBondContact NZ-O 2.82Å; V49-N101 PolarHBondContact O-N 3.09Å
102	K	96.4	Very high	96.8	Very high	122 Å²	122	53.2 Å²	53.2	53%	0.53	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-57	-174	-162.9	175.2	177.1	-169.6	0	113.2	E99 I100	E99-K102 HydrophobicContact CB-CB 4.13Å; E99-K102 HydrophobicContact CB-CD 4.3Å; E99-K102 WeakPolarHBondContact OE2-CD 3.29Å; E99-K102 WeakPolarHBondContact OE2-CE 3.13Å; E99-K102 IonicContact OE2-NZ 2.73Å; E99-K102 PolarHBondContact OE2-NZ 3.17Å; I100-K102 PolarHBondContact O-N 2.92Å
103	Y	97.5	Very high	96.8	Very high	50 Å²	50	55.7 Å²	55.7	20%	0.196	26%	0.259	C	S	.	.			trans	-116.1	160.3	-174	-57.4	-66.5	0	0	0	112.7	E99 R126	E99-Y103 HydrophobicContact CB-CD2 4.18Å; E99-Y103 VanDerWaalsContact OE1-CE2 3.25Å; E99-Y103 WeakPolarHBondContact OE1-CE2 3.39Å; Y103-R126 HydrophobicContact CD2-CG 4.37Å; Y103-R126 HydrophobicContact CG-CG 4.22Å; Y103-R126 PolarHBondContact OH-NH1 3Å
104	Q	98.1	Very high	96.7	Very high	59 Å²	59	59.5 Å²	59.5	28%	0.276	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.3	162.1	-59.5	175.3	19	0	0	107.9	A47 M70 W127	A47-Q104 WeakPolarHBondContact O-CA 3.33Å; M70-Q104 HydrophobicContact SD-CB 4.41Å; M70-Q104 HydrophobicContact SD-CG 3.77Å; M70-Q104 PolarHBondContact SD-OE1 2.96Å; Q104-W127 HydrophobicContact CB-CB 4.04Å; Q104-W127 WeakPolarHBondContact O-CB 3.23Å; Q104-W127 PolarHBondContact O-N 3.37Å
105	Y	98.6	Very high	96.7	Very high	12 Å²	12	61.9 Å²	61.9	5%	0.047	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.8	-177.7	-65.8	-90.6	0	0	0	109.7	R46 A47 V49 F98 E99 E125 R126	R46-Y105 CarbonylContact C-O 3.54Å; R46-Y105 VanDerWaalsContact CA-O 3.28Å; R46-Y105 WeakPolarHBondContact CA-O 3.3Å; A47-Y105 PolarHBondContact N-O 3.18Å; A47-Y105 PolarHBondContact O-N 3.2Å; V49-Y105 HydrophobicContact CG2-CD2 4.29Å; F98-Y105 HydrophobicContact CB-CE2 4.49Å; F98-Y105 AromaticContact CD1-CD1 3.88Å; F98-Y105 HydrophobicContact CD1-CD1 3.88Å; F98-Y105 HydrophobicContact CD1-CD2 4.04Å; F98-Y105 AromaticContact CD1-CE1 3.94Å; F98-Y105 HydrophobicContact CD1-CE1 3.94Å; F98-Y105 HydrophobicContact CD1-CE2 4.1Å; F98-Y105 AromaticContact CD1-CG 3.91Å; F98-Y105 HydrophobicContact CD1-CG 3.91Å; F98-Y105 HydrophobicContact CE1-CD1 4.06Å; F98-Y105 HydrophobicContact CE1-CE1 4.49Å; F98-Y105 HydrophobicContact CE1-CG 4.14Å; E99-Y105 WeakPolarHBondContact CB-OH 3.01Å; E99-Y105 PolarHBondContact N-OH 2.85Å; E99-Y105 VanDerWaalsContact N-OH 3.13Å; Y105-E125 CarbonylContact C-O 3.52Å; Y105-E125 VanDerWaalsContact CA-O 3.31Å; Y105-E125 WeakPolarHBondContact CA-O 3.06Å; Y105-R126 HydrophobicContact CD1-CG 4.19Å; Y105-R126 HydrophobicContact CE1-CG 3.71Å
106	L	98.6	Very high	96.8	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	122.8	154.2	-173.4	78.8	0	0	0	107.2	V44 I45 Y73 F123 N124 E125 W127 L130 F138	V44-L106 HydrophobicContact CG1-CD1 4.06Å; V44-L106 HydrophobicContact CG1-CG 4.49Å; I45-L106 WeakPolarHBondContact O-CA 3.48Å; Y73-L106 HydrophobicContact CD2-CD1 3.86Å; Y73-L106 HydrophobicContact CE2-CD1 3.59Å; L106-F123 HydrophobicContact CD2-CD1 3.91Å; L106-F123 HydrophobicContact CD2-CE1 3.84Å; L106-N124 WeakPolarHBondContact O-CA 3.43Å; L106-E125 PolarHBondContact N-O 2.91Å; L106-E125 PolarHBondContact O-N 2.71Å; L106-W127 HydrophobicContact CB-CE3 4.31Å; L106-W127 HydrophobicContact CD1-CE3 4.47Å; L106-W127 HydrophobicContact CD1-CZ3 4.13Å; L106-L130 HydrophobicContact CB-CD1 4.2Å; L106-L130 HydrophobicContact CB-CD2 4.44Å; L106-L130 HydrophobicContact CD2-CD2 3.7Å; L106-F138 HydrophobicContact CD1-CG 4.43Å; L106-F138 HydrophobicContact CD2-CB 4.45Å; L106-F138 HydrophobicContact CD2-CD1 3.63Å; L106-F138 HydrophobicContact CD2-CD2 3.24Å; L106-F138 HydrophobicContact CD2-CE1 3.55Å; L106-F138 HydrophobicContact CD2-CE2 3.14Å; L106-F138 HydrophobicContact CD2-CG 3.5Å; L106-F138 VanDerWaalsContact CD2-CG 3.5Å; L106-F138 HydrophobicContact CD2-CZ 3.31Å
107	I	98.6	Very high	96.8	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.7	-175.8	-59.1	173	0	0	0	108.1	V44 I45 I85 F98 T118 N124	V44-I107 WeakPolarHBondContact CA-O 3.3Å; I45-I107 HydrophobicContact CG1-CB 4.19Å; I45-I107 PolarHBondContact N-O 3.42Å; I45-I107 PolarHBondContact O-N 3.44Å; I85-I107 HydrophobicContact CD1-CB 4.44Å; I85-I107 HydrophobicContact CD1-CD1 3.52Å; I85-I107 HydrophobicContact CD1-CG2 3.94Å; F98-I107 HydrophobicContact CE1-CD1 4.01Å; F98-I107 HydrophobicContact CE1-CG1 4.08Å; F98-I107 HydrophobicContact CZ-CD1 3.94Å; F98-I107 HydrophobicContact CZ-CG1 4.1Å; I107-T118 HydrophobicContact CG2-CG2 4.31Å; I107-N124 WeakPolarHBondContact CA-OD1 3.31Å; I107-N124 WeakPolarHBondContact CG2-OD1 3.04Å
108	T	98.5	Very high	96.9	Very high	0 Å²	0	59 Å²	59	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	146.6	172.5	61.1	0	0	0	0	108.8	S41 V44 T118 N122 F123 N124 F138	S41-T108 WeakPolarHBondContact OG-CB 3.18Å; V44-T108 HydrophobicContact CB-CG2 4.49Å; V44-T108 HydrophobicContact CG1-CG2 4.01Å; V44-T108 HydrophobicContact CG2-CG2 3.97Å; T108-T118 WeakPolarHBondContact O-CB 3.33Å; T108-T118 PolarHBondContact O-OG1 3.09Å; T108-N122 WeakPolarHBondContact O-CB 3.44Å; T108-F123 HydrophobicContact CG2-CB 3.97Å; T108-F123 PolarHBondContact N-O 2.82Å; T108-F123 WeakPolarHBondContact OG1-CA 3.04Å; T108-F123 PolarHBondContact OG1-N 3.03Å; T108-F123 PolarHBondContact OG1-O 2.73Å; T108-N124 PolarHBondContact N-OD1 3.18Å; T108-F138 HydrophobicContact CG2-CE1 4.35Å
109	G	97.6	Very high	96.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	175	-174.9	0	0	0	0	0	113.9	S41 D42 I43 Y117	S41-G109 WeakPolarHBondContact CB-O 3.37Å; D42-G109 PolarHBondContact N-O 2.97Å; I43-G109 PolarHBondContact N-O 3.44Å; I43-G109 VanDerWaalsContact N-O 3.15Å; I43-G109 PolarHBondContact O-N 3.07Å; I43-G109 VanDerWaalsContact O-N 3.14Å; G109-Y117 CarbonylContact C-O 3.41Å; G109-Y117 WeakPolarHBondContact CA-O 3.4Å
110	R	97.9	Very high	96.8	Very high	157 Å²	157	59.5 Å²	59.5	59%	0.592	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	154.5	175	-68.6	-172.2	178.7	173.2	1.3	110.6	D42 V116 Y117	D42-R110 VanDerWaalsContact OD2-CA 3.28Å; D42-R110 WeakPolarHBondContact OD2-CA 3.42Å; D42-R110 WeakPolarHBondContact OD2-CB 3.38Å; R110-V116 WeakPolarHBondContact O-CA 3.41Å; R110-Y117 PolarHBondContact N-O 3.01Å; R110-Y117 PolarHBondContact O-N 2.75Å
111	V	97.4	Very high	96.7	Very high	31 Å²	31	59.3 Å²	59.3	19%	0.188	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.1	176.1	-178.2	0	0	0	0	108.2	D42 I43 K78 V79 K115 V116	D42-V111 HydrophobicContact CB-CB 4.35Å; D42-V111 HydrophobicContact CB-CG2 3.94Å; D42-V111 PolarHBondContact OD2-N 2.89Å; I43-V111 HydrophobicContact CG1-CG2 4.49Å; I43-V111 HydrophobicContact CG2-CG2 3.45Å; I43-V111 VanDerWaalsContact CG2-CG2 3.45Å; K78-V111 HydrophobicContact CB-CG2 4.26Å; K78-V111 HydrophobicContact CD-CG2 4.46Å; V79-V111 HydrophobicContact CG2-CG1 3.9Å; V79-V111 HydrophobicContact CG2-CG2 3.84Å; V111-K115 WeakPolarHBondContact CA-O 3.47Å; V111-V116 HydrophobicContact CG2-CG2 4.33Å
112	Y	95.3	Very high	96.8	Very high	150 Å²	150	57.1 Å²	57.1	59%	0.588	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.3	128.7	176.2	-177.8	-93.8	0	0	0	108.5	D114 K115 Y117	Y112-D114 VanDerWaalsContact C-N 3.3Å; Y112-D114 PolarHBondContact O-N 3.31Å; Y112-K115 PolarHBondContact N-O 3.35Å; Y112-K115 WeakPolarHBondContact O-CA 3.34Å; Y112-K115 WeakPolarHBondContact O-CB 3.38Å; Y112-K115 PolarHBondContact O-N 3.16Å; Y112-Y117 HydrophobicContact CD1-CE2 4.35Å
113	D	92.8	Very high	96.8	Very high	113 Å²	113	52.4 Å²	52.4	60%	0.604	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.5	51.5	-174.9	-65.2	-16.3	0	0	0	113.2	K115	D113-K115 PolarHBondContact O-N 3.27Å
114	D	90.9	Very high	96.8	Very high	144 Å²	144	51.3 Å²	51.3	77%	0.77	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	12.6	-177.5	-60.5	-40.6	0	0	0	115.6	Y112	Y112-D114 VanDerWaalsContact C-N 3.3Å; Y112-D114 PolarHBondContact O-N 3.31Å
115	K	95.2	Very high	96.8	Very high	86 Å²	86	52 Å²	52	37%	0.374	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	141.8	177	-66.5	168.2	-169	164.5	0	110.2	Y86 V111 Y112 D113 Y117	Y86-K115 HydrophobicContact CD2-CB 3.84Å; Y86-K115 HydrophobicContact CD2-CG 4.26Å; Y86-K115 HydrophobicContact CE1-CD 4.29Å; Y86-K115 HydrophobicContact CE2-CB 3.78Å; Y86-K115 HydrophobicContact CE2-CD 4.15Å; Y86-K115 HydrophobicContact CE2-CG 3.74Å; V111-K115 WeakPolarHBondContact CA-O 3.47Å; Y112-K115 PolarHBondContact N-O 3.35Å; Y112-K115 WeakPolarHBondContact O-CA 3.34Å; Y112-K115 WeakPolarHBondContact O-CB 3.38Å; Y112-K115 PolarHBondContact O-N 3.16Å; D113-K115 PolarHBondContact O-N 3.27Å; K115-Y117 HydrophobicContact CB-CD2 4.2Å; K115-Y117 HydrophobicContact CB-CE2 3.53Å; K115-Y117 HydrophobicContact CD-CE2 4.37Å; K115-Y117 WeakPolarHBondContact O-CD2 3.41Å
116	V	97.9	Very high	96.7	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	117.5	177.1	172.1	0	0	0	0	109.5	I43 V79 V82 I85 Y86 R110 V111	I43-V116 HydrophobicContact CD1-CB 4.3Å; I43-V116 HydrophobicContact CD1-CG1 3.25Å; I43-V116 HydrophobicContact CD1-CG2 4.06Å; I43-V116 HydrophobicContact CG1-CG1 3.75Å; I43-V116 HydrophobicContact CG1-CG2 4.18Å; V79-V116 HydrophobicContact CG2-CG2 4.48Å; V82-V116 HydrophobicContact CG1-CB 4.18Å; V82-V116 HydrophobicContact CG1-CG2 3.84Å; V82-V116 HydrophobicContact CG2-CG2 3.91Å; I85-V116 WeakPolarHBondContact CA-O 3.47Å; I85-V116 HydrophobicContact CG1-CG1 4.21Å; I85-V116 HydrophobicContact CG2-CG1 4.36Å; Y86-V116 WeakPolarHBondContact CD2-O 3.42Å; Y86-V116 PolarHBondContact N-O 3.2Å; R110-V116 WeakPolarHBondContact O-CA 3.41Å; V111-V116 HydrophobicContact CG2-CG2 4.33Å
117	Y	97.8	Very high	96.7	Very high	75 Å²	75	56.2 Å²	56.2	29%	0.294	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.4	175.6	-68.9	-92.5	0	0	0	111.4	Y86 G109 R110 Y112 K115	Y86-Y117 VanDerWaalsContact CB-CE1 3.47Å; Y86-Y117 HydrophobicContact CG-CE1 4.22Å; Y86-Y117 CarbonylContact O-C 3.57Å; Y86-Y117 VanDerWaalsContact O-CA 3.3Å; Y86-Y117 WeakPolarHBondContact O-CA 3.23Å; G109-Y117 CarbonylContact C-O 3.41Å; G109-Y117 WeakPolarHBondContact CA-O 3.4Å; R110-Y117 PolarHBondContact N-O 3.01Å; R110-Y117 PolarHBondContact O-N 2.75Å; Y112-Y117 HydrophobicContact CD1-CE2 4.35Å; K115-Y117 HydrophobicContact CB-CD2 4.2Å; K115-Y117 HydrophobicContact CB-CE2 3.53Å; K115-Y117 HydrophobicContact CD-CE2 4.37Å; K115-Y117 WeakPolarHBondContact O-CD2 3.41Å
118	T	98.2	Very high	96.6	Very high	7 Å²	7	63.4 Å²	63.4	4%	0.043	30%	0.299	C	S	.	.			trans	-138.9	156	172.9	-163.7	0	0	0	0	110.5	I85 Y86 T87 V96 F98 I107 T108 N122 N124	I85-T118 HydrophobicContact CG2-CG2 3.51Å; Y86-T118 PolarHBondContact O-N 2.83Å; T87-T118 WeakPolarHBondContact CA-O 3.35Å; T87-T118 WeakPolarHBondContact CB-O 3.23Å; T87-T118 PolarHBondContact OG1-O 2.94Å; V96-T118 HydrophobicContact CG2-CG2 4.45Å; F98-T118 HydrophobicContact CE2-CG2 4.09Å; F98-T118 HydrophobicContact CZ-CG2 4.18Å; I107-T118 HydrophobicContact CG2-CG2 4.31Å; T108-T118 WeakPolarHBondContact O-CB 3.33Å; T108-T118 PolarHBondContact O-OG1 3.09Å; T118-N122 WeakPolarHBondContact OG1-CB 3.25Å; T118-N124 PolarHBondContact OG1-ND2 3.04Å; T118-N124 PolarHBondContact OG1-OD1 2.78Å
119	G	96.9	Very high	96.5	Very high	10 Å²	10	70.8 Å²	70.8	10%	0.103	33%	0.327	C	S	.	.			trans	-143.4	176.5	180	0	0	0	0	0	112.4	C94 V96 C121 N122 N124	C94-G119 CarbonylContact O-C 3.6Å; C94-G119 WeakPolarHBondContact O-CA 3.04Å; V96-G119 VanDerWaalsContact CG2-O 3.29Å; V96-G119 WeakPolarHBondContact CG2-O 3.28Å; G119-C121 PolarHBondContact O-N 3.22Å; G119-N122 PolarHBondContact N-OD1 2.97Å; G119-N122 WeakPolarHBondContact O-CB 2.99Å; G119-N122 PolarHBondContact O-N 2.85Å; G119-N124 PolarHBondContact O-ND2 3.27Å
120	L	96	Very high	96.4	Very high	76 Å²	76	71.1 Å²	71.1	40%	0.398	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.3	179.9	-73	179.4	0	0	0	112.8	C27 E91 C94 G95 V96 N122	C27-L120 HydrophobicContact CB-CD1 4.46Å; E91-L120 HydrophobicContact CB-CD1 4.15Å; E91-L120 HydrophobicContact CG-CD1 4.38Å; E91-L120 WeakPolarHBondContact O-CD1 3.45Å; C94-L120 HydrophobicContact CB-CB 4.41Å; C94-L120 PolarHBondContact O-N 2.96Å; G95-L120 WeakPolarHBondContact O-CD2 3.35Å; G95-L120 WeakPolarHBondContact O-CG 3.34Å; V96-L120 HydrophobicContact CG2-CD2 4.14Å; V96-L120 HydrophobicContact CG2-CG 4.42Å; L120-N122 VanDerWaalsContact C-N 3.31Å
121	C	95.3	Very high	96.3	Very high	58 Å²	58	64.2 Å²	64.2	39%	0.392	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-9.2	178.7	-50.4	0	0	0	0	113.5	C29 G119	C29-C121 VanDerWaalsContact CA-SG 3.55Å; C29-C121 HydrophobicContact CB-CB 3.64Å; C29-C121 WeakPolarHBondContact CB-SG 3.44Å; C29-C121 WeakPolarHBondContact SG-CA 3.21Å; C29-C121 WeakPolarHBondContact SG-CB 3.31Å; C29-C121 PolarHBondContact SG-N 3.3Å; C29-C121 CovalentContact SG-SG 2.03Å; C29-C121 PolarHBondContact SG-SG 3.11Å; G119-C121 PolarHBondContact O-N 3.22Å
122	N	97.3	Very high	96.2	Very high	47 Å²	47	69.1 Å²	69.1	25%	0.251	33%	0.33	S	S	.	.	S	Bend	trans	-79.5	160.7	170.5	-67	107.3	0	0	0	110.4	T108 T118 G119 L120 N124	T108-N122 WeakPolarHBondContact O-CB 3.44Å; T118-N122 WeakPolarHBondContact OG1-CB 3.25Å; G119-N122 PolarHBondContact N-OD1 2.97Å; G119-N122 WeakPolarHBondContact O-CB 2.99Å; G119-N122 PolarHBondContact O-N 2.85Å; L120-N122 VanDerWaalsContact C-N 3.31Å; N122-N124 PolarHBondContact O-N 3.44Å; N122-N124 VanDerWaalsContact O-N 3.09Å
123	F	97.2	Very high	96.1	Very high	23 Å²	23	62.9 Å²	62.9	10%	0.101	31%	0.309	C	S	.	.			trans	-78.8	98.2	173.4	-167.2	-83.5	0	0	0	109.8	P34 A37 L106 T108 E125 L130 F138	P34-F123 HydrophobicContact CB-CD2 4.23Å; P34-F123 HydrophobicContact CB-CE2 3.93Å; P34-F123 HydrophobicContact CB-CZ 4.33Å; P34-F123 HydrophobicContact CG-CD2 4.3Å; P34-F123 HydrophobicContact CG-CE2 3.71Å; P34-F123 HydrophobicContact CG-CZ 4.31Å; A37-F123 HydrophobicContact CB-CB 3.48Å; A37-F123 VanDerWaalsContact CB-CB 3.48Å; A37-F123 HydrophobicContact CB-CG 4.31Å; L106-F123 HydrophobicContact CD2-CD1 3.91Å; L106-F123 HydrophobicContact CD2-CE1 3.84Å; T108-F123 HydrophobicContact CG2-CB 3.97Å; T108-F123 PolarHBondContact N-O 2.82Å; T108-F123 WeakPolarHBondContact OG1-CA 3.04Å; T108-F123 PolarHBondContact OG1-N 3.03Å; T108-F123 PolarHBondContact OG1-O 2.73Å; F123-E125 HydrophobicContact CD1-CB 4.39Å; F123-E125 HydrophobicContact CE1-CB 3.77Å; F123-E125 HydrophobicContact CE1-CG 4.1Å; F123-E125 HydrophobicContact CE2-CG 4.45Å; F123-E125 HydrophobicContact CZ-CB 4.09Å; F123-E125 HydrophobicContact CZ-CG 4Å; F123-L130 HydrophobicContact CE1-CD2 4.17Å; F123-L130 HydrophobicContact CE1-CG 4.5Å; F123-F138 HydrophobicContact CD1-CE2 4.13Å; F123-F138 AromaticContact CD1-CZ 3.66Å; F123-F138 HydrophobicContact CD1-CZ 3.66Å; F123-F138 AromaticContact CE1-CE2 3.74Å; F123-F138 HydrophobicContact CE1-CE2 3.74Å; F123-F138 AromaticContact CE1-CZ 3.77Å; F123-F138 HydrophobicContact CE1-CZ 3.77Å; F123-F138 HydrophobicContact CG-CZ 4.17Å; F123-F138 HydrophobicContact CZ-CE2 4.22Å; F123-F138 HydrophobicContact CZ-CZ 4.37Å
124	N	97.3	Very high	96.3	Very high	27 Å²	27	57.8 Å²	57.8	14%	0.144	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	92.7	-178.7	-69.5	-35.8	0	0	0	109.8	V96 F98 L106 I107 T108 T118 G119 N122	V96-N124 HydrophobicContact CG1-CB 4.42Å; F98-N124 HydrophobicContact CE1-CB 4.24Å; F98-N124 HydrophobicContact CZ-CB 4.3Å; L106-N124 WeakPolarHBondContact O-CA 3.43Å; I107-N124 WeakPolarHBondContact CA-OD1 3.31Å; I107-N124 WeakPolarHBondContact CG2-OD1 3.04Å; T108-N124 PolarHBondContact N-OD1 3.18Å; T118-N124 PolarHBondContact OG1-ND2 3.04Å; T118-N124 PolarHBondContact OG1-OD1 2.78Å; G119-N124 PolarHBondContact O-ND2 3.27Å; N122-N124 PolarHBondContact O-N 3.44Å; N122-N124 VanDerWaalsContact O-N 3.09Å
125	E	97.2	Very high	96.6	Very high	74 Å²	74	53.3 Å²	53.3	35%	0.346	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.1	-170.4	-87.2	-63.8	175.3	0	0	113.6	Y105 L106 F123 W127 L130	Y105-E125 CarbonylContact C-O 3.52Å; Y105-E125 VanDerWaalsContact CA-O 3.31Å; Y105-E125 WeakPolarHBondContact CA-O 3.06Å; L106-E125 PolarHBondContact N-O 2.91Å; L106-E125 PolarHBondContact O-N 2.71Å; F123-E125 HydrophobicContact CD1-CB 4.39Å; F123-E125 HydrophobicContact CE1-CB 3.77Å; F123-E125 HydrophobicContact CE1-CG 4.1Å; F123-E125 HydrophobicContact CE2-CG 4.45Å; F123-E125 HydrophobicContact CZ-CB 4.09Å; F123-E125 HydrophobicContact CZ-CG 4Å; E125-W127 PolarHBondContact O-N 3.17Å; E125-L130 HydrophobicContact CB-CD1 4.17Å
126	R	97.8	Very high	96.6	Very high	68 Å²	68	54.2 Å²	54.2	26%	0.257	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	126.2	177.2	-62.4	-177.5	-168.7	166.5	-0.5	109	E99 Y103 Y105 E128 R129 L130	E99-R126 IonicContact OE1-CZ 2.71Å; E99-R126 IonicContact OE1-NE 3.16Å; E99-R126 IonicContact OE1-NH2 3.53Å; E99-R126 PolarHBondContact OE1-NH2 2.03Å; Y103-R126 HydrophobicContact CD2-CG 4.37Å; Y103-R126 HydrophobicContact CG-CG 4.22Å; Y103-R126 PolarHBondContact OH-NH1 3Å; Y105-R126 HydrophobicContact CD1-CG 4.19Å; Y105-R126 HydrophobicContact CE1-CG 3.71Å; R126-E128 PolarHBondContact O-N 3.39Å; R126-R129 HydrophobicContact CB-CB 4.5Å; R126-R129 HydrophobicContact CB-CG 4.02Å; R126-R129 WeakPolarHBondContact O-CB 3.44Å; R126-R129 PolarHBondContact O-N 2.83Å; R126-L130 VanDerWaalsContact O-CD1 3.31Å; R126-L130 WeakPolarHBondContact O-CD1 3.34Å
127	W	97.8	Very high	96.5	Very high	31 Å²	31	54.1 Å²	54.1	12%	0.117	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-51.5	-36.6	-175.1	-179	-100.1	0	0	0	113.9	R46 Y73 Q104 L106 E125 R129 L130 K135	R46-W127 HydrophobicContact CG-CD2 4.34Å; R46-W127 HydrophobicContact CG-CE3 4.16Å; R46-W127 VanDerWaalsContact CZ-CD1 3.41Å; R46-W127 VanDerWaalsContact CZ-CE2 3.41Å; R46-W127 VanDerWaalsContact NH1-CE2 3.33Å; R46-W127 VanDerWaalsContact NH2-CD1 3.26Å; Y73-W127 HydrophobicContact CE2-CZ3 4.34Å; Y73-W127 WeakPolarHBondContact OH-CH2 3.5Å; Y73-W127 VanDerWaalsContact OH-CZ3 3.31Å; Y73-W127 WeakPolarHBondContact OH-CZ3 3.38Å; Q104-W127 HydrophobicContact CB-CB 4.04Å; Q104-W127 WeakPolarHBondContact O-CB 3.23Å; Q104-W127 PolarHBondContact O-N 3.37Å; L106-W127 HydrophobicContact CB-CE3 4.31Å; L106-W127 HydrophobicContact CD1-CE3 4.47Å; L106-W127 HydrophobicContact CD1-CZ3 4.13Å; E125-W127 PolarHBondContact O-N 3.17Å; W127-R129 VanDerWaalsContact C-N 3.32Å; W127-R129 PolarHBondContact O-N 2.76Å; W127-L130 HydrophobicContact CE3-CD1 4.45Å; W127-L130 PolarHBondContact O-N 3.4Å; W127-K135 HydrophobicContact CH2-CB 4.12Å; W127-K135 HydrophobicContact CH2-CD 4.46Å; W127-K135 HydrophobicContact CH2-CG 3.77Å; W127-K135 HydrophobicContact CZ2-CB 4.28Å; W127-K135 HydrophobicContact CZ2-CD 3.91Å; W127-K135 HydrophobicContact CZ2-CG 3.74Å; W127-K135 HydrophobicContact CZ3-CG 4.31Å; W127-K135 WeakPolarHBondContact O-CE 3Å; W127-K135 PolarHBondContact O-NZ 2.91Å
128	E	96.9	Very high	96.5	Very high	151 Å²	151	50.6 Å²	50.6	71%	0.706	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-69.1	-28.4	179.5	-68.1	173.2	-178.3	0	0	113.1	R126 L130	R126-E128 PolarHBondContact O-N 3.39Å; E128-L130 VanDerWaalsContact C-N 3.34Å
129	R	96.1	Very high	96.4	Very high	155 Å²	155	54.1 Å²	54.1	59%	0.585	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-78.2	-18.4	178.9	-61.6	-178	84.7	161.6	5.5	113.1	R126 W127	R126-R129 HydrophobicContact CB-CB 4.5Å; R126-R129 HydrophobicContact CB-CG 4.02Å; R126-R129 WeakPolarHBondContact O-CB 3.44Å; R126-R129 PolarHBondContact O-N 2.83Å; W127-R129 VanDerWaalsContact C-N 3.32Å; W127-R129 PolarHBondContact O-N 2.76Å
130	L	96.1	Very high	96	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.037	28%	0.278	C	S	.	.	S	Bend	trans	-67.5	134.4	176.5	-76.6	93.7	0	0	0	110.9	L106 F123 E125 R126 W127 E128 Q134 K135 F138	L106-L130 HydrophobicContact CB-CD1 4.2Å; L106-L130 HydrophobicContact CB-CD2 4.44Å; L106-L130 HydrophobicContact CD2-CD2 3.7Å; F123-L130 HydrophobicContact CE1-CD2 4.17Å; F123-L130 HydrophobicContact CE1-CG 4.5Å; E125-L130 HydrophobicContact CB-CD1 4.17Å; R126-L130 VanDerWaalsContact O-CD1 3.31Å; R126-L130 WeakPolarHBondContact O-CD1 3.34Å; W127-L130 HydrophobicContact CE3-CD1 4.45Å; W127-L130 PolarHBondContact O-N 3.4Å; E128-L130 VanDerWaalsContact C-N 3.34Å; L130-Q134 HydrophobicContact CB-CB 4.3Å; L130-Q134 HydrophobicContact CD2-CB 4.05Å; L130-Q134 HydrophobicContact CG-CB 4.49Å; L130-K135 HydrophobicContact CB-CD 4.49Å; L130-K135 HydrophobicContact CB-CG 3.89Å; L130-K135 WeakPolarHBondContact O-CE 3.48Å; L130-K135 PolarHBondContact O-NZ 3.14Å; L130-K135 VanDerWaalsContact O-NZ 3.11Å; L130-F138 HydrophobicContact CD2-CD2 3.73Å; L130-F138 HydrophobicContact CD2-CE2 3.75Å
131	S	95.1	Very high	95.9	Very high	13 Å²	13	55.5 Å²	55.5	9%	0.091	26%	0.264	C	S	.	.			trans	-64.2	161	171.8	85.8	0	0	0	0	111.1	A133 Q134 K135 R183	S131-A133 PolarHBondContact O-N 2.03Å; S131-A133 PolarHBondContact OG-N 2.02Å; S131-Q134 PolarHBondContact O-N 2.9Å; S131-Q134 WeakPolarHBondContact OG-CG 3.23Å; S131-Q134 PolarHBondContact OG-N 3.06Å; S131-K135 WeakPolarHBondContact O-CG 3.21Å; S131-K135 PolarHBondContact O-N 2.78Å; S131-R183 WeakPolarHBondContact CB-O 3.4Å; S131-R183 PolarHBondContact OG-O 3.46Å
132	L	94.6	Very high	95.9	Very high	134 Å²	134	52.8 Å²	52.8	70%	0.702	25%	0.246	S	C	*	.	H	α-helix	trans	-59.6	-34.5	173	-66	176.3	0	0	0	112.2	K136	L132-K136 WeakPolarHBondContact O-CG 3.49Å; L132-K136 PolarHBondContact O-N 3.11Å
133	A	94.8	Very high	95.9	Very high	19 Å²	19	55.7 Å²	55.7	16%	0.157	26%	0.257	C	S	.	.	H	α-helix	trans	-69.9	-41.8	178.2	0	0	0	0	0	111.5	S131 K136 G137 H184	S131-A133 PolarHBondContact O-N 2.03Å; S131-A133 PolarHBondContact OG-N 2.02Å; A133-K136 PolarHBondContact O-N 2.88Å; A133-G137 PolarHBondContact O-N 2.97Å; A133-H184 WeakPolarHBondContact CB-O 3.32Å
134	Q	96.8	Very high	95.7	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.028	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-44.7	174.6	-70.7	171.6	-35.7	0	0	111.3	L130 S131 K136 G137 F138 S182	L130-Q134 HydrophobicContact CB-CB 4.3Å; L130-Q134 HydrophobicContact CD2-CB 4.05Å; L130-Q134 HydrophobicContact CG-CB 4.49Å; S131-Q134 PolarHBondContact O-N 2.9Å; S131-Q134 WeakPolarHBondContact OG-CG 3.23Å; S131-Q134 PolarHBondContact OG-N 3.06Å; Q134-K136 VanDerWaalsContact C-N 3.3Å; Q134-K136 PolarHBondContact O-N 3.48Å; Q134-G137 WeakPolarHBondContact O-CA 3.44Å; Q134-G137 PolarHBondContact O-N 2.88Å; Q134-F138 VanDerWaalsContact O-CD2 3.23Å; Q134-F138 WeakPolarHBondContact O-CD2 3.26Å; Q134-F138 PolarHBondContact O-N 3.13Å; Q134-S182 PolarHBondContact NE2-O 2.78Å
135	K	96.8	Very high	95.6	Very high	50 Å²	50	57.6 Å²	57.6	22%	0.217	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-43.1	175	-70.6	171	179.4	157.9	0	111.8	W127 L130 S131 N139	W127-K135 HydrophobicContact CH2-CB 4.12Å; W127-K135 HydrophobicContact CH2-CD 4.46Å; W127-K135 HydrophobicContact CH2-CG 3.77Å; W127-K135 HydrophobicContact CZ2-CB 4.28Å; W127-K135 HydrophobicContact CZ2-CD 3.91Å; W127-K135 HydrophobicContact CZ2-CG 3.74Å; W127-K135 HydrophobicContact CZ3-CG 4.31Å; W127-K135 WeakPolarHBondContact O-CE 3Å; W127-K135 PolarHBondContact O-NZ 2.91Å; L130-K135 HydrophobicContact CB-CD 4.49Å; L130-K135 HydrophobicContact CB-CG 3.89Å; L130-K135 WeakPolarHBondContact O-CE 3.48Å; L130-K135 PolarHBondContact O-NZ 3.14Å; L130-K135 VanDerWaalsContact O-NZ 3.11Å; S131-K135 WeakPolarHBondContact O-CG 3.21Å; S131-K135 PolarHBondContact O-N 2.78Å; K135-N139 WeakPolarHBondContact O-CB 3.46Å; K135-N139 PolarHBondContact O-N 2.99Å
136	K	95	Very high	95.6	Very high	105 Å²	105	56.1 Å²	56.1	46%	0.457	27%	0.265	S	S	.	.	H	α-helix	trans	-68.1	-36.8	173.1	-72	178.2	-177.4	-177	0	112	L132 A133 Q134 N139 H140	L132-K136 WeakPolarHBondContact O-CG 3.49Å; L132-K136 PolarHBondContact O-N 3.11Å; A133-K136 PolarHBondContact O-N 2.88Å; Q134-K136 VanDerWaalsContact C-N 3.3Å; Q134-K136 PolarHBondContact O-N 3.48Å; K136-N139 PolarHBondContact O-N 3.05Å; K136-H140 PolarHBondContact O-CE1 3.18Å; K136-H140 PolarHBondContact O-N 3.4Å; K136-H140 PolarHBondContact O-ND1 2.82Å
137	G	96.3	Very high	95.5	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.01	29%	0.288	C	S	.	.	I	π-helix	trans	-54.8	-60.6	175.7	0	0	0	0	0	111.9	A133 Q134 N139 H140 R141 Y142	A133-G137 PolarHBondContact O-N 2.97Å; Q134-G137 WeakPolarHBondContact O-CA 3.44Å; Q134-G137 PolarHBondContact O-N 2.88Å; G137-N139 PolarHBondContact O-N 3.01Å; G137-H140 PolarHBondContact O-N 3.26Å; G137-R141 PolarHBondContact O-N 2.77Å; G137-Y142 PolarHBondContact O-N 3.2Å
138	F	97.4	Very high	95.4	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	29%	0.285	C	S	.	.	I	π-helix	trans	-59.8	-28.4	177.5	-76.7	-68.8	0	0	0	113.4	P34 F38 V44 Y73 L106 T108 F123 L130 Q134 Y142	P34-F138 HydrophobicContact CB-CE2 4.1Å; P34-F138 HydrophobicContact CB-CZ 3.94Å; F38-F138 HydrophobicContact CB-CD1 4.2Å; F38-F138 HydrophobicContact CB-CE1 3.91Å; F38-F138 AromaticContact CD2-CD1 3.71Å; F38-F138 HydrophobicContact CD2-CD1 3.71Å; F38-F138 HydrophobicContact CD2-CE1 4.21Å; F38-F138 HydrophobicContact CG-CD1 4.37Å; V44-F138 HydrophobicContact CG1-CD1 3.87Å; V44-F138 HydrophobicContact CG1-CE1 4.23Å; Y73-F138 WeakPolarHBondContact CD1-O 3.46Å; L106-F138 HydrophobicContact CD1-CG 4.43Å; L106-F138 HydrophobicContact CD2-CB 4.45Å; L106-F138 HydrophobicContact CD2-CD1 3.63Å; L106-F138 HydrophobicContact CD2-CD2 3.24Å; L106-F138 HydrophobicContact CD2-CE1 3.55Å; L106-F138 HydrophobicContact CD2-CE2 3.14Å; L106-F138 HydrophobicContact CD2-CG 3.5Å; L106-F138 VanDerWaalsContact CD2-CG 3.5Å; L106-F138 HydrophobicContact CD2-CZ 3.31Å; T108-F138 HydrophobicContact CG2-CE1 4.35Å; F123-F138 HydrophobicContact CD1-CE2 4.13Å; F123-F138 AromaticContact CD1-CZ 3.66Å; F123-F138 HydrophobicContact CD1-CZ 3.66Å; F123-F138 AromaticContact CE1-CE2 3.74Å; F123-F138 HydrophobicContact CE1-CE2 3.74Å; F123-F138 AromaticContact CE1-CZ 3.77Å; F123-F138 HydrophobicContact CE1-CZ 3.77Å; F123-F138 HydrophobicContact CG-CZ 4.17Å; F123-F138 HydrophobicContact CZ-CE2 4.22Å; F123-F138 HydrophobicContact CZ-CZ 4.37Å; L130-F138 HydrophobicContact CD2-CD2 3.73Å; L130-F138 HydrophobicContact CD2-CE2 3.75Å; Q134-F138 VanDerWaalsContact O-CD2 3.23Å; Q134-F138 WeakPolarHBondContact O-CD2 3.26Å; Q134-F138 PolarHBondContact O-N 3.13Å; F138-Y142 AromaticContact CD1-CD2 3.96Å; F138-Y142 HydrophobicContact CD1-CD2 3.96Å; F138-Y142 HydrophobicContact CD1-CE2 4.25Å; F138-Y142 HydrophobicContact CD2-CD2 4.29Å; F138-Y142 AromaticContact CD2-CE2 3.81Å; F138-Y142 HydrophobicContact CD2-CE2 3.81Å; F138-Y142 HydrophobicContact CE1-CD2 4.16Å; F138-Y142 HydrophobicContact CE1-CE2 4.28Å; F138-Y142 HydrophobicContact CE2-CD2 4.47Å; F138-Y142 AromaticContact CE2-CE2 3.83Å; F138-Y142 HydrophobicContact CE2-CE2 3.83Å; F138-Y142 HydrophobicContact CG-CD2 4.02Å; F138-Y142 HydrophobicContact CG-CE2 4.02Å; F138-Y142 HydrophobicContact CZ-CD2 4.41Å; F138-Y142 HydrophobicContact CZ-CE2 4.07Å; F138-Y142 VanDerWaalsContact N-CD2 3.33Å
139	N	95	Very high	95.4	Very high	81 Å²	81	58.3 Å²	58.3	43%	0.433	28%	0.279	S	S	.	.	I	π-helix	trans	-76	-32.7	-178.9	-165.4	48.3	0	0	0	114	K71 Y73 K135 K136 G137	K71-N139 PolarHBondContact NZ-OD1 2.53Å; Y73-N139 HydrophobicContact CE1-CB 4.32Å; K135-N139 WeakPolarHBondContact O-CB 3.46Å; K135-N139 PolarHBondContact O-N 2.99Å; K136-N139 PolarHBondContact O-N 3.05Å; G137-N139 PolarHBondContact O-N 3.01Å
140	H	89.2	Confident	95.5	Very high	88 Å²	88	51.4 Å²	51.4	41%	0.407	25%	0.253	S	S	.	.	I	π-helix	trans	-160.3	-33.8	-178.7	56.9	-78.5	0	0	0	114.9	K136 G137	K136-H140 PolarHBondContact O-CE1 3.18Å; K136-H140 PolarHBondContact O-N 3.4Å; K136-H140 PolarHBondContact O-ND1 2.82Å; G137-H140 PolarHBondContact O-N 3.26Å
141	R	93.1	Very high	95.4	Very high	26 Å²	26	53.6 Å²	53.6	10%	0.098	26%	0.263	C	S	.	.	I	π-helix	trans	-74.8	-36.9	-168.3	-50.4	178.1	177.9	179.5	-8.9	113.4	G137 Q143 L144 G145 A186 R199 G200	G137-R141 PolarHBondContact O-N 2.77Å; R141-Q143 VanDerWaalsContact C-N 3.3Å; R141-Q143 PolarHBondContact O-N 3.11Å; R141-L144 WeakPolarHBondContact O-CB 3.34Å; R141-L144 PolarHBondContact O-N 2.02Å; R141-G145 PolarHBondContact O-N 2.85Å; R141-A186 HydrophobicContact CB-CB 4.25Å; R141-R199 PolarHBondContact NH1-O 2.95Å; R141-G200 PolarHBondContact NH2-O 3.29Å
142	Y	97.3	Very high	95.4	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-65.4	-35.8	-177.8	-66.8	-28.9	0	0	0	111.9	P34 Q35 F38 G137 F138 L144 G145 C146 A186	P34-Y142 HydrophobicContact CB-CE2 3.97Å; Q35-Y142 HydrophobicContact CB-CD1 3.43Å; Q35-Y142 VanDerWaalsContact CB-CD1 3.43Å; Q35-Y142 HydrophobicContact CB-CE1 3.76Å; Q35-Y142 HydrophobicContact CB-CG 3.91Å; Q35-Y142 HydrophobicContact CG-CD1 3.63Å; Q35-Y142 HydrophobicContact CG-CE1 4.41Å; Q35-Y142 HydrophobicContact CG-CG 4.01Å; F38-Y142 HydrophobicContact CB-CD2 4.16Å; F38-Y142 HydrophobicContact CB-CG 4.46Å; F38-Y142 HydrophobicContact CG-CD2 4.48Å; G137-Y142 PolarHBondContact O-N 3.2Å; F138-Y142 AromaticContact CD1-CD2 3.96Å; F138-Y142 HydrophobicContact CD1-CD2 3.96Å; F138-Y142 HydrophobicContact CD1-CE2 4.25Å; F138-Y142 HydrophobicContact CD2-CD2 4.29Å; F138-Y142 AromaticContact CD2-CE2 3.81Å; F138-Y142 HydrophobicContact CD2-CE2 3.81Å; F138-Y142 HydrophobicContact CE1-CD2 4.16Å; F138-Y142 HydrophobicContact CE1-CE2 4.28Å; F138-Y142 HydrophobicContact CE2-CD2 4.47Å; F138-Y142 AromaticContact CE2-CE2 3.83Å; F138-Y142 HydrophobicContact CE2-CE2 3.83Å; F138-Y142 HydrophobicContact CG-CD2 4.02Å; F138-Y142 HydrophobicContact CG-CE2 4.02Å; F138-Y142 HydrophobicContact CZ-CD2 4.41Å; F138-Y142 HydrophobicContact CZ-CE2 4.07Å; F138-Y142 VanDerWaalsContact N-CD2 3.33Å; Y142-L144 VanDerWaalsContact C-N 3.31Å; Y142-L144 PolarHBondContact O-N 3.25Å; Y142-G145 PolarHBondContact O-N 2.9Å; Y142-C146 PolarHBondContact O-N 3.43Å; Y142-C146 PolarHBondContact O-SG 2.81Å; Y142-A186 HydrophobicContact CD1-CB 3.89Å; Y142-A186 HydrophobicContact CE1-CB 3.81Å
143	Q	95.5	Very high	95.3	Very high	107 Å²	107	49.3 Å²	49.3	50%	0.5	24%	0.242	S	C	.	.	H	α-helix	trans	-58.6	-41.1	173	-175	64.2	39.2	0	0	112.5	F38 R141 G145 C146	F38-Q143 HydrophobicContact CE1-CB 3.72Å; F38-Q143 VanDerWaalsContact CE1-OE1 3.23Å; F38-Q143 HydrophobicContact CZ-CB 4.06Å; R141-Q143 VanDerWaalsContact C-N 3.3Å; R141-Q143 PolarHBondContact O-N 3.11Å; Q143-G145 PolarHBondContact O-N 2.86Å; Q143-C146 PolarHBondContact O-N 3.04Å
144	L	93.6	Very high	95.1	Very high	91 Å²	91	54 Å²	54	48%	0.476	26%	0.261	S	S	.	.	H	α-helix	trans	-66.4	-20.6	177.7	-59.6	173.8	0	0	0	112.8	R141 Y142	R141-L144 WeakPolarHBondContact O-CB 3.34Å; R141-L144 PolarHBondContact O-N 2.02Å; Y142-L144 VanDerWaalsContact C-N 3.31Å; Y142-L144 PolarHBondContact O-N 3.25Å
145	G	95.7	Very high	94.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-0.2	-177.2	0	0	0	0	0	114.6	Q35 R141 Y142 Q143 N147 C148 C187	Q35-G145 PolarHBondContact NE2-O 3.36Å; R141-G145 PolarHBondContact O-N 2.85Å; Y142-G145 PolarHBondContact O-N 2.9Å; Q143-G145 PolarHBondContact O-N 2.86Å; G145-N147 PolarHBondContact O-N 3.23Å; G145-N147 VanDerWaalsContact O-N 3.16Å; G145-C148 WeakPolarHBondContact O-CB 3.45Å; G145-C148 PolarHBondContact O-N 3.32Å; G145-C187 WeakPolarHBondContact CA-O 3.31Å
146	C	96.5	Very high	94.5	Very high	42 Å²	42	66.3 Å²	66.3	28%	0.284	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.4	-175.4	-66.1	0	0	0	0	114.5	C39 Y142 Q143 C148	C39-C146 VanDerWaalsContact CA-SG 3.54Å; C39-C146 HydrophobicContact CB-CB 3.79Å; C39-C146 WeakPolarHBondContact CB-SG 3.23Å; C39-C146 WeakPolarHBondContact SG-CA 3.2Å; C39-C146 WeakPolarHBondContact SG-CB 3.19Å; C39-C146 CovalentContact SG-SG 2.05Å; C39-C146 PolarHBondContact SG-SG 2.78Å; Y142-C146 PolarHBondContact O-N 3.43Å; Y142-C146 PolarHBondContact O-SG 2.81Å; Q143-C146 PolarHBondContact O-N 3.04Å; C146-C148 VanDerWaalsContact C-N 3.33Å
147	N	95.3	Very high	94.4	Very high	136 Å²	136	65.8 Å²	65.8	73%	0.727	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-8.3	171.1	-66.5	-16.1	0	0	0	113	G145	G145-N147 PolarHBondContact O-N 3.23Å; G145-N147 VanDerWaalsContact O-N 3.16Å
148	C	96.8	Very high	94.2	Very high	8 Å²	8	67 Å²	67	5%	0.054	33%	0.332	C	S	.	.	S	Bend	trans	-95	142.7	175.7	-60.8	0	0	0	0	110.6	G145 C146 N164 C187 I188 Q189 C195	G145-C148 WeakPolarHBondContact O-CB 3.45Å; G145-C148 PolarHBondContact O-N 3.32Å; C146-C148 VanDerWaalsContact C-N 3.33Å; C148-N164 CarbonylContact C-O 3.44Å; C148-N164 WeakPolarHBondContact CA-O 3.03Å; C148-C187 HydrophobicContact CB-CB 4.42Å; C148-C187 WeakPolarHBondContact CB-SG 3.41Å; C148-I188 VanDerWaalsContact SG-C 3.53Å; C148-Q189 PolarHBondContact SG-N 3.25Å; C148-Q189 VanDerWaalsContact SG-N 3.37Å; C148-C195 VanDerWaalsContact CA-SG 3.54Å; C148-C195 HydrophobicContact CB-CB 3.63Å; C148-C195 WeakPolarHBondContact CB-SG 3.42Å; C148-C195 WeakPolarHBondContact SG-CB 3.33Å; C148-C195 CovalentContact SG-SG 2.03Å; C148-C195 PolarHBondContact SG-SG 3.47Å
149	R	96.8	Very high	94	Very high	153 Å²	153	73.8 Å²	73.8	58%	0.577	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	123.6	177.1	-176.7	179.8	-175.5	-178	6.1	110.4	N164 E165 C166	R149-N164 PolarHBondContact N-O 3.08Å; R149-E165 HydrophobicContact CB-CG 3.92Å; R149-E165 HydrophobicContact CG-CG 4.19Å; R149-E165 IonicContact NH1-OE1 3.81Å; R149-E165 CarbonylContact O-C 3.54Å; R149-E165 VanDerWaalsContact O-CA 3.23Å; R149-E165 WeakPolarHBondContact O-CA 3.25Å; R149-C166 PolarHBondContact O-N 2.8Å
150	I	97.1	Very high	93.9	Very high	10 Å²	10	73.7 Å²	73.7	5%	0.051	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	118.1	170.2	-60.6	177.7	0	0	0	107.7	H33 Q35 P152 W168 C187 W197	H33-I150 HydrophobicContact CB-CD1 3.91Å; H33-I150 HydrophobicContact CB-CG2 4.15Å; H33-I150 VanDerWaalsContact ND1-CD1 3.31Å; H33-I150 WeakPolarHBondContact ND1-CD1 3.37Å; Q35-I150 HydrophobicContact CB-CD1 3.75Å; Q35-I150 HydrophobicContact CG-CD1 4.15Å; I150-P152 WeakPolarHBondContact O-CD 2.95Å; I150-W168 HydrophobicContact CG2-CB 3.62Å; I150-W168 HydrophobicContact CG2-CD2 4.38Å; I150-W168 HydrophobicContact CG2-CE3 4.36Å; I150-W168 HydrophobicContact CG2-CG 4.1Å; I150-C187 HydrophobicContact CD1-CB 4.08Å; I150-C187 HydrophobicContact CG1-CB 3.75Å; I150-W197 HydrophobicContact CD1-CH2 3.95Å; I150-W197 HydrophobicContact CD1-CZ3 4.27Å; I150-W197 HydrophobicContact CG1-CH2 4.18Å; I150-W197 HydrophobicContact CG2-CH2 3.92Å; I150-W197 HydrophobicContact CG2-CZ2 4.16Å
151	K	95.6	Very high	94	Very high	53 Å²	53	74.3 Å²	74.3	23%	0.23	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	107.4	-176.5	-175.7	177	-179.1	179.5	0	109.5	F159 T161 E165 C166 L167 W168	K151-F159 PolarHBondContact NZ-O 3.49Å; K151-T161 PolarHBondContact NZ-OG1 3.15Å; K151-E165 IonicContact NZ-OE2 3.93Å; K151-C166 PolarHBondContact N-O 3.41Å; K151-L167 HydrophobicContact CD-CD1 4.44Å; K151-L167 HydrophobicContact CG-CD1 4.4Å; K151-W168 PolarHBondContact O-N 3.34Å
152	P	93.9	Very high	93.9	Very high	56 Å²	56	74.9 Å²	74.9	36%	0.364	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	138.9	176.9	27.5	-33.4	0	0	0	110.9	I150 W168	I150-P152 WeakPolarHBondContact O-CD 2.95Å; P152-W168 HydrophobicContact CB-CE3 4.03Å
153	C	93	Very high	93.7	Very high	1 Å²	1	83 Å²	83	1%	0.007	42%	0.417	C	S	.	.			trans	-109.3	104.8	172.7	-180	0	0	0	0	109.5	C158 L167 W168 T169 M171	C153-C158 WeakPolarHBondContact CA-SG 3.38Å; C153-C158 HydrophobicContact CB-CB 3.65Å; C153-C158 WeakPolarHBondContact CB-SG 3.25Å; C153-C158 WeakPolarHBondContact SG-CB 3.42Å; C153-C158 CovalentContact SG-SG 2.02Å; C153-C158 PolarHBondContact SG-SG 2.84Å; C153-L167 HydrophobicContact CB-CD1 4.03Å; C153-L167 HydrophobicContact CB-CG 4.24Å; C153-W168 WeakPolarHBondContact CB-O 3.01Å; C153-W168 PolarHBondContact N-O 2.82Å; C153-T169 HydrophobicContact CB-CG2 4.19Å; C153-M171 WeakPolarHBondContact O-CB 3.48Å
154	H	90	Very high	93.7	Very high	117 Å²	117	81.4 Å²	81.4	54%	0.542	41%	0.412	S	S	.	.			trans	-89.9	-30.5	-178.3	-66.3	-71.1	0	0	0	113.3
155	Y	89.5	Confident	93.8	Very high	183 Å²	183	77.5 Å²	77.5	72%	0.718	39%	0.391	S	S	*	.	S	Bend	trans	-149.8	142.5	-178.6	49.1	-93.4	0	0	0	109.5	C158	Y155-C158 PolarHBondContact O-SG 3.35Å
156	L	91.2	Very high	93.9	Very high	131 Å²	131	77.7 Å²	77.7	69%	0.686	39%	0.393	S	S	*	.	S	Bend	trans	-75.2	148.1	177.6	-69.7	173.6	0	0	0	110.9	L172	L156-L172 HydrophobicContact CD1-CD1 4.35Å; L156-L172 HydrophobicContact CD2-CD1 3.5Å; L156-L172 HydrophobicContact CG-CD1 3.76Å; L156-L172 HydrophobicContact CG-CD2 4.33Å
157	P	93	Very high	93.8	Very high	94 Å²	94	77.1 Å²	77.1	61%	0.61	39%	0.386	S	S	*	.			cis	-88.6	146.1	-0.9	35.6	-34.8	0	0	0	112.8	F159	P157-F159 HydrophobicContact CB-CE2 3.6Å; P157-F159 HydrophobicContact CB-CZ 3.63Å; P157-F159 HydrophobicContact CG-CE2 3.93Å; P157-F159 HydrophobicContact CG-CZ 4.31Å
158	C	92.5	Very high	93.8	Very high	28 Å²	28	70.8 Å²	70.8	19%	0.189	35%	0.352	C	S	.	.			trans	-123.5	139.2	173.5	-57.3	0	0	0	0	111.2	C153 Y155 L167	C153-C158 WeakPolarHBondContact CA-SG 3.38Å; C153-C158 HydrophobicContact CB-CB 3.65Å; C153-C158 WeakPolarHBondContact CB-SG 3.25Å; C153-C158 WeakPolarHBondContact SG-CB 3.42Å; C153-C158 CovalentContact SG-SG 2.02Å; C153-C158 PolarHBondContact SG-SG 2.84Å; Y155-C158 PolarHBondContact O-SG 3.35Å; C158-L167 HydrophobicContact CB-CD1 3.71Å; C158-L167 HydrophobicContact CB-CD2 3.89Å; C158-L167 HydrophobicContact CB-CG 4.35Å
159	F	92.8	Very high	93.6	Very high	143 Å²	143	72 Å²	72	63%	0.627	36%	0.36	S	S	*	.			trans	-133.9	150.6	-179.4	-52.2	-77.5	0	0	0	111.5	K151 P157 T161	K151-F159 PolarHBondContact NZ-O 3.49Å; P157-F159 HydrophobicContact CB-CE2 3.6Å; P157-F159 HydrophobicContact CB-CZ 3.63Å; P157-F159 HydrophobicContact CG-CE2 3.93Å; P157-F159 HydrophobicContact CG-CZ 4.31Å; F159-T161 PolarHBondContact O-N 3.27Å
160	V	92.9	Very high	93.4	Very high	79 Å²	79	65.4 Å²	65.4	48%	0.479	34%	0.336	S	S	.	.			trans	-68.7	124.7	167.7	173.9	0	0	0	0	108	S162 E165 L167	V160-S162 WeakPolarHBondContact CG1-O 3.41Å; V160-E165 HydrophobicContact CG1-CB 3.95Å; V160-L167 HydrophobicContact CG2-CB 4.16Å
161	T	91.1	Very high	93	Very high	101 Å²	101	67.1 Å²	67.1	62%	0.62	34%	0.344	S	S	*	.			trans	-100.5	-14.6	-177.5	32.4	0	0	0	0	112.9	K151 F159 E165	K151-T161 PolarHBondContact NZ-OG1 3.15Å; F159-T161 PolarHBondContact O-N 3.27Å; T161-E165 PolarHBondContact N-OE2 2.88Å; T161-E165 PolarHBondContact OG1-OE1 2.84Å; T161-E165 PolarHBondContact OG1-OE2 2.8Å
162	S	92.6	Very high	92.6	Very high	38 Å²	38	67.3 Å²	67.3	27%	0.266	35%	0.347	S	S	.	.	S	Bend	trans	-148.3	156.5	-177	60.9	0	0	0	0	111.4	V160 N164 E165	V160-S162 WeakPolarHBondContact CG1-O 3.41Å; S162-N164 VanDerWaalsContact CB-OD1 3.31Å; S162-N164 WeakPolarHBondContact CB-OD1 3.34Å; S162-N164 PolarHBondContact O-N 2.88Å; S162-N164 PolarHBondContact OG-OD1 2.94Å; S162-E165 PolarHBondContact N-OE2 3.46Å; S162-E165 PolarHBondContact O-N 3.47Å; S162-E165 WeakPolarHBondContact OG-CG 3.43Å; S162-E165 PolarHBondContact OG-OE1 2.86Å
163	K	93.1	Very high	91.7	Very high	171 Å²	171	67.1 Å²	67.1	74%	0.743	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.1	-178.2	-67.8	-176.3	179.4	-178.2	0	113.3	E165 Y194 C195	K163-E165 VanDerWaalsContact C-N 3.35Å; K163-Y194 CarbonylContact O-C 3.59Å; K163-Y194 WeakPolarHBondContact O-CA 3.45Å; K163-Y194 WeakPolarHBondContact O-CB 3.44Å; K163-C195 PolarHBondContact O-N 2.68Å
164	N	94.6	Very high	90.4	Very high	74 Å²	74	76 Å²	76	40%	0.396	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	14.2	-179	66.3	-36.9	0	0	0	113.3	C148 R149 S162 C195	C148-N164 CarbonylContact C-O 3.44Å; C148-N164 WeakPolarHBondContact CA-O 3.03Å; R149-N164 PolarHBondContact N-O 3.08Å; S162-N164 VanDerWaalsContact CB-OD1 3.31Å; S162-N164 WeakPolarHBondContact CB-OD1 3.34Å; S162-N164 PolarHBondContact O-N 2.88Å; S162-N164 PolarHBondContact OG-OD1 2.94Å; N164-C195 VanDerWaalsContact CA-SG 3.6Å
165	E	96.1	Very high	89.1	Confident	9 Å²	9	79.8 Å²	79.8	4%	0.042	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.1	-177.9	-84.4	167	-163.8	0	0	113.2	R149 K151 V160 T161 S162 K163	R149-E165 HydrophobicContact CB-CG 3.92Å; R149-E165 HydrophobicContact CG-CG 4.19Å; R149-E165 IonicContact NH1-OE1 3.81Å; R149-E165 CarbonylContact O-C 3.54Å; R149-E165 VanDerWaalsContact O-CA 3.23Å; R149-E165 WeakPolarHBondContact O-CA 3.25Å; K151-E165 IonicContact NZ-OE2 3.93Å; V160-E165 HydrophobicContact CG1-CB 3.95Å; T161-E165 PolarHBondContact N-OE2 2.88Å; T161-E165 PolarHBondContact OG1-OE1 2.84Å; T161-E165 PolarHBondContact OG1-OE2 2.8Å; S162-E165 PolarHBondContact N-OE2 3.46Å; S162-E165 PolarHBondContact O-N 3.47Å; S162-E165 WeakPolarHBondContact OG-CG 3.43Å; S162-E165 PolarHBondContact OG-OE1 2.86Å; K163-E165 VanDerWaalsContact C-N 3.35Å
166	C	96.9	Very high	87.8	Confident	5 Å²	5	73.4 Å²	73.4	3%	0.034	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129.7	161.7	-57.3	0	0	0	0	109.9	R149 K151 C187 S196 W197	R149-C166 PolarHBondContact O-N 2.8Å; K151-C166 PolarHBondContact N-O 3.41Å; C166-C187 HydrophobicContact CB-CB 3.63Å; C166-C187 WeakPolarHBondContact CB-SG 3.45Å; C166-C187 VanDerWaalsContact SG-CA 3.55Å; C166-C187 WeakPolarHBondContact SG-CB 3.48Å; C166-C187 CovalentContact SG-SG 2.02Å; C166-C187 PolarHBondContact SG-SG 2.65Å; C166-S196 VanDerWaalsContact SG-CA 3.52Å; C166-W197 HydrophobicContact CB-CD2 3.99Å; C166-W197 HydrophobicContact CB-CG 4.38Å; C166-W197 HydrophobicContact CB-CZ2 3.96Å
167	L	95.8	Very high	86.6	Confident	29 Å²	29	73 Å²	73	15%	0.152	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.7	179.1	-168.6	70.3	0	0	0	111	K151 C153 C158 V160 T169 Q181 W197	K151-L167 HydrophobicContact CD-CD1 4.44Å; K151-L167 HydrophobicContact CG-CD1 4.4Å; C153-L167 HydrophobicContact CB-CD1 4.03Å; C153-L167 HydrophobicContact CB-CG 4.24Å; C158-L167 HydrophobicContact CB-CD1 3.71Å; C158-L167 HydrophobicContact CB-CD2 3.89Å; C158-L167 HydrophobicContact CB-CG 4.35Å; V160-L167 HydrophobicContact CG2-CB 4.16Å; L167-T169 HydrophobicContact CD2-CG2 3.85Å; L167-T169 HydrophobicContact CG-CG2 3.95Å; L167-Q181 PolarHBondContact O-NE2 2.96Å; L167-W197 PolarHBondContact O-NE1 3.03Å
168	W	95.1	Very high	85.8	Confident	3 Å²	3	70.8 Å²	70.8	1%	0.011	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	105.6	179.7	-175.8	35.3	0	0	0	110.5	L31 H33 I150 K151 P152 C153 D170 M171 Y177 Q181 W197	L31-W168 HydrophobicContact CB-CH2 4.17Å; L31-W168 HydrophobicContact CB-CZ3 4.47Å; H33-W168 HydrophobicContact CB-CD2 4.35Å; H33-W168 HydrophobicContact CB-CE3 4.29Å; H33-W168 HydrophobicContact CB-CH2 4.27Å; H33-W168 HydrophobicContact CB-CZ2 4.32Å; H33-W168 HydrophobicContact CB-CZ3 4.25Å; H33-W168 AromaticContact CD2-NE1 3.96Å; I150-W168 HydrophobicContact CG2-CB 3.62Å; I150-W168 HydrophobicContact CG2-CD2 4.38Å; I150-W168 HydrophobicContact CG2-CE3 4.36Å; I150-W168 HydrophobicContact CG2-CG 4.1Å; K151-W168 PolarHBondContact O-N 3.34Å; P152-W168 HydrophobicContact CB-CE3 4.03Å; C153-W168 WeakPolarHBondContact CB-O 3.01Å; C153-W168 PolarHBondContact N-O 2.82Å; W168-D170 PolarHBondContact NE1-OD2 3.23Å; W168-M171 HydrophobicContact CD2-CE 4.34Å; W168-M171 HydrophobicContact CE3-CE 4.09Å; W168-M171 HydrophobicContact CH2-CE 3.21Å; W168-M171 HydrophobicContact CZ2-CE 3.5Å; W168-M171 HydrophobicContact CZ3-CE 3.54Å; W168-Y177 HydrophobicContact CZ2-CE2 4.43Å; W168-Q181 VanDerWaalsContact CA-OE1 3.32Å; W168-Q181 VanDerWaalsContact CD1-OE1 3.25Å; W168-W197 HydrophobicContact CB-CZ2 4.05Å; W168-W197 HydrophobicContact CG-CZ2 4.47Å
169	T	93.2	Very high	85.6	Confident	34 Å²	34	69.8 Å²	69.8	21%	0.209	36%	0.364	C	S	.	.			trans	-105	4.3	-170.3	53.5	0	0	0	0	113.6	C153 L167 M171 L172 Q181	C153-T169 HydrophobicContact CB-CG2 4.19Å; L167-T169 HydrophobicContact CD2-CG2 3.85Å; L167-T169 HydrophobicContact CG-CG2 3.95Å; T169-M171 PolarHBondContact O-N 3.3Å; T169-L172 HydrophobicContact CG2-CD1 4.44Å; T169-L172 WeakPolarHBondContact O-CB 3.4Å; T169-L172 PolarHBondContact O-N 3.27Å; T169-Q181 PolarHBondContact OG1-NE2 3.48Å; T169-Q181 PolarHBondContact OG1-OE1 3.39Å
170	D	92.1	Very high	85.6	Confident	14 Å²	14	68.5 Å²	68.5	8%	0.075	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-55.2	-25.5	178.8	-77.8	-17.1	0	0	0	113.3	W168 L172 S173 G179 Y180 Q181 S182	W168-D170 PolarHBondContact NE1-OD2 3.23Å; D170-L172 VanDerWaalsContact C-N 3.3Å; D170-L172 PolarHBondContact O-N 2.86Å; D170-S173 WeakPolarHBondContact O-CB 3.46Å; D170-S173 PolarHBondContact O-N 3Å; D170-G179 VanDerWaalsContact CG-C 3.46Å; D170-G179 VanDerWaalsContact OD2-C 3.27Å; D170-G179 WeakPolarHBondContact OD2-CA 3.02Å; D170-Y180 PolarHBondContact OD1-N 3Å; D170-Q181 WeakPolarHBondContact OD1-CB 3.44Å; D170-Q181 PolarHBondContact OD1-N 2.02Å; D170-Q181 PolarHBondContact OD2-N 3.03Å; D170-S182 VanDerWaalsContact OD2-CB 3.25Å; D170-S182 WeakPolarHBondContact OD2-CB 3.46Å; D170-S182 PolarHBondContact OD2-N 3.2Å
171	M	87.6	Confident	85.7	Confident	47 Å²	47	66 Å²	66	23%	0.232	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-72.5	-22.2	179	-52.1	-53.9	165.4	0	0	113.8	L31 C153 W168 T169 S173	L31-M171 HydrophobicContact CB-CE 3.38Å; L31-M171 HydrophobicContact CB-SD 4.41Å; L31-M171 HydrophobicContact CD1-CE 3.4Å; L31-M171 HydrophobicContact CD1-SD 3.25Å; L31-M171 WeakPolarHBondContact CD1-SD 3.45Å; L31-M171 HydrophobicContact CG-CE 3.95Å; L31-M171 HydrophobicContact CG-SD 4.41Å; C153-M171 WeakPolarHBondContact O-CB 3.48Å; W168-M171 HydrophobicContact CD2-CE 4.34Å; W168-M171 HydrophobicContact CE3-CE 4.09Å; W168-M171 HydrophobicContact CH2-CE 3.21Å; W168-M171 HydrophobicContact CZ2-CE 3.5Å; W168-M171 HydrophobicContact CZ3-CE 3.54Å; T169-M171 PolarHBondContact O-N 3.3Å; M171-S173 VanDerWaalsContact C-N 3.29Å
172	L	87.1	Confident	85.8	Confident	56 Å²	56	61.2 Å²	61.2	29%	0.293	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-81.5	-14.6	176.2	-57.5	-179.9	0	0	0	111.8	L156 T169 D170	L156-L172 HydrophobicContact CD1-CD1 4.35Å; L156-L172 HydrophobicContact CD2-CD1 3.5Å; L156-L172 HydrophobicContact CG-CD1 3.76Å; L156-L172 HydrophobicContact CG-CD2 4.33Å; T169-L172 HydrophobicContact CG2-CD1 4.44Å; T169-L172 WeakPolarHBondContact O-CB 3.4Å; T169-L172 PolarHBondContact O-N 3.27Å; D170-L172 VanDerWaalsContact C-N 3.3Å; D170-L172 PolarHBondContact O-N 2.86Å
173	S	76	Confident	85.9	Confident	52 Å²	52	63.5 Å²	63.5	36%	0.364	31%	0.312	S	S	.	.			trans	-79.6	129.5	-177.9	-177	0	0	0	0	111.1	D170 M171 F175	D170-S173 WeakPolarHBondContact O-CB 3.46Å; D170-S173 PolarHBondContact O-N 3Å; M171-S173 VanDerWaalsContact C-N 3.29Å; S173-F175 PolarHBondContact O-N 3.1Å; S173-F175 PolarHBondContact OG-N 2.91Å
174	H	65.5	Low	85.9	Confident	189 Å²	189	57.8 Å²	57.8	88%	0.875	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.5	174.7	-60.9	-64.1	0	0	0	113.7	G176	H174-G176 VanDerWaalsContact C-N 3.28Å; H174-G176 PolarHBondContact O-N 3.37Å
175	F	62.2	Low	86	Confident	195 Å²	195	57 Å²	57	86%	0.855	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	12.7	-170.5	-66.4	-73	0	0	0	115.3	S173	S173-F175 PolarHBondContact O-N 3.1Å; S173-F175 PolarHBondContact OG-N 2.91Å
176	G	62.2	Low	86	Confident	49 Å²	49	56.7 Å²	56.7	51%	0.505	28%	0.279	S	S	.	.			trans	77.7	170.8	173.7	0	0	0	0	0	114.9	H174	H174-G176 VanDerWaalsContact C-N 3.28Å; H174-G176 PolarHBondContact O-N 3.37Å
177	Y	65.4	Low	86	Confident	122 Å²	122	56.5 Å²	56.5	48%	0.478	28%	0.277	S	S	.	.	S	Bend	trans	-99.5	141.3	-177.1	-179.3	-92.9	0	0	0	111.7	L31 W168	L31-Y177 HydrophobicContact CD2-CD2 4.06Å; L31-Y177 HydrophobicContact CD2-CE2 3.96Å; L31-Y177 HydrophobicContact CD2-CG 4.42Å; W168-Y177 HydrophobicContact CZ2-CE2 4.43Å
178	P	77.5	Confident	86	Confident	49 Å²	49	55.3 Å²	55.3	32%	0.318	27%	0.271	S	S	.	.	S	Bend	cis	-79.5	137	-0.5	31.1	-33.7	0	0	0	112.8	R183	P178-R183 HydrophobicContact CB-CG 4.23Å; P178-R183 HydrophobicContact CG-CG 4.06Å
179	G	88.6	Confident	85.9	Confident	7 Å²	7	59.6 Å²	59.6	7%	0.072	29%	0.291	C	S	.	.			trans	-74.5	179.8	-179.3	0	0	0	0	0	114.6	D170 S182 R183	D170-G179 VanDerWaalsContact CG-C 3.46Å; D170-G179 VanDerWaalsContact OD2-C 3.27Å; D170-G179 WeakPolarHBondContact OD2-CA 3.02Å; G179-S182 PolarHBondContact O-N 3.03Å; G179-R183 WeakPolarHBondContact O-CG 3.39Å; G179-R183 PolarHBondContact O-N 3.3Å; G179-R183 VanDerWaalsContact O-N 3.08Å
180	Y	91.8	Very high	85.7	Confident	115 Å²	115	60.2 Å²	60.2	45%	0.451	29%	0.292	S	S	.	.	H	α-helix	trans	-66.5	-41.2	-170.7	-168.6	-101	0	0	0	112.7	D170 R183 H184 Y185 R199	D170-Y180 PolarHBondContact OD1-N 3Å; Y180-R183 PolarHBondContact O-N 3.43Å; Y180-H184 AromaticContact CD2-CD2 3.44Å; Y180-H184 VanDerWaalsContact CD2-CD2 3.44Å; Y180-H184 WeakPolarHBondContact CD2-CD2 3.39Å; Y180-H184 AromaticContact CD2-NE2 3.98Å; Y180-H184 AromaticContact CE2-CD2 3.45Å; Y180-H184 VanDerWaalsContact CE2-CD2 3.45Å; Y180-H184 WeakPolarHBondContact CE2-CD2 3.41Å; Y180-H184 AromaticContact CE2-NE2 3.87Å; Y180-H184 AromaticContact CG-CD2 3.91Å; Y180-H184 AromaticContact CZ-CD2 3.93Å; Y180-H184 WeakPolarHBondContact O-CB 2.94Å; Y180-H184 PolarHBondContact O-CD2 3.46Å; Y180-H184 VanDerWaalsContact O-CD2 3.27Å; Y180-H184 PolarHBondContact O-N 3.4Å; Y180-Y185 HydrophobicContact CD1-CD2 4.43Å; Y180-Y185 AromaticContact CD1-CE2 3.76Å; Y180-Y185 HydrophobicContact CD1-CE2 3.76Å; Y180-Y185 AromaticContact CE1-CE2 3.56Å; Y180-Y185 HydrophobicContact CE1-CE2 3.56Å; Y180-R199 PolarHBondContact OH-NH2 2.92Å; Y180-R199 VanDerWaalsContact OH-NH2 3.15Å
181	Q	94.2	Very high	85.1	Confident	27 Å²	27	67.3 Å²	67.3	13%	0.126	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-49.1	178.3	-69.8	176.1	-33.8	0	0	110.8	L167 W168 T169 D170 R183 H184 Y185 W197	L167-Q181 PolarHBondContact O-NE2 2.96Å; W168-Q181 VanDerWaalsContact CA-OE1 3.32Å; W168-Q181 VanDerWaalsContact CD1-OE1 3.25Å; T169-Q181 PolarHBondContact OG1-NE2 3.48Å; T169-Q181 PolarHBondContact OG1-OE1 3.39Å; D170-Q181 WeakPolarHBondContact OD1-CB 3.44Å; D170-Q181 PolarHBondContact OD1-N 2.02Å; D170-Q181 PolarHBondContact OD2-N 3.03Å; Q181-R183 PolarHBondContact O-N 3.31Å; Q181-H184 PolarHBondContact O-N 2.88Å; Q181-H184 VanDerWaalsContact O-N 3.13Å; Q181-Y185 HydrophobicContact CG-CD2 4.45Å; Q181-Y185 PolarHBondContact O-N 3.35Å; Q181-W197 HydrophobicContact CB-CZ2 4.49Å
182	S	94.8	Very high	84.8	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-56	-36.9	175.8	177	0	0	0	0	113.2	P34 Q134 D170 G179	P34-S182 WeakPolarHBondContact CD-OG 3.45Å; P34-S182 WeakPolarHBondContact CG-OG 3.46Å; Q134-S182 PolarHBondContact NE2-O 2.78Å; D170-S182 VanDerWaalsContact OD2-CB 3.25Å; D170-S182 WeakPolarHBondContact OD2-CB 3.46Å; D170-S182 PolarHBondContact OD2-N 3.2Å; G179-S182 PolarHBondContact O-N 3.03Å
183	R	94	Very high	84.6	Confident	87 Å²	87	71.5 Å²	71.5	33%	0.328	35%	0.349	S	S	.	.	H	α-helix	trans	-81.5	-26.2	179.2	-69.6	-176.1	78	90.2	6.9	113.6	S131 P178 G179 Y180 Q181	S131-R183 WeakPolarHBondContact CB-O 3.4Å; S131-R183 PolarHBondContact OG-O 3.46Å; P178-R183 HydrophobicContact CB-CG 4.23Å; P178-R183 HydrophobicContact CG-CG 4.06Å; G179-R183 WeakPolarHBondContact O-CG 3.39Å; G179-R183 PolarHBondContact O-N 3.3Å; G179-R183 VanDerWaalsContact O-N 3.08Å; Y180-R183 PolarHBondContact O-N 3.43Å; Q181-R183 PolarHBondContact O-N 3.31Å
184	H	93.9	Very high	85.3	Confident	51 Å²	51	73.4 Å²	73.4	24%	0.236	35%	0.348	C	S	.	.	H	α-helix	trans	-126.9	-17.8	-164.3	-64.1	-67.4	0	0	0	116	A133 Y180 Q181	A133-H184 WeakPolarHBondContact CB-O 3.32Å; Y180-H184 AromaticContact CD2-CD2 3.44Å; Y180-H184 VanDerWaalsContact CD2-CD2 3.44Å; Y180-H184 WeakPolarHBondContact CD2-CD2 3.39Å; Y180-H184 AromaticContact CD2-NE2 3.98Å; Y180-H184 AromaticContact CE2-CD2 3.45Å; Y180-H184 VanDerWaalsContact CE2-CD2 3.45Å; Y180-H184 WeakPolarHBondContact CE2-CD2 3.41Å; Y180-H184 AromaticContact CE2-NE2 3.87Å; Y180-H184 AromaticContact CG-CD2 3.91Å; Y180-H184 AromaticContact CZ-CD2 3.93Å; Y180-H184 WeakPolarHBondContact O-CB 2.94Å; Y180-H184 PolarHBondContact O-CD2 3.46Å; Y180-H184 VanDerWaalsContact O-CD2 3.27Å; Y180-H184 PolarHBondContact O-N 3.4Å; Q181-H184 PolarHBondContact O-N 2.88Å; Q181-H184 VanDerWaalsContact O-N 3.13Å
185	Y	95.6	Very high	86.8	Confident	58 Å²	58	64.8 Å²	64.8	23%	0.227	31%	0.309	C	S	.	.			trans	-118.6	158.9	-171.6	-68.4	-93.9	0	0	0	113.2	Y180 Q181 W197 Y198 R199	Y180-Y185 HydrophobicContact CD1-CD2 4.43Å; Y180-Y185 AromaticContact CD1-CE2 3.76Å; Y180-Y185 HydrophobicContact CD1-CE2 3.76Å; Y180-Y185 AromaticContact CE1-CE2 3.56Å; Y180-Y185 HydrophobicContact CE1-CE2 3.56Å; Q181-Y185 HydrophobicContact CG-CD2 4.45Å; Q181-Y185 PolarHBondContact O-N 3.35Å; Y185-W197 HydrophobicContact CD1-CB 3.69Å; Y185-W197 HydrophobicContact CE1-CB 4.31Å; Y185-W197 HydrophobicContact CG-CB 4.24Å; Y185-Y198 WeakPolarHBondContact CA-O 3.28Å; Y185-R199 HydrophobicContact CD1-CB 3.98Å; Y185-R199 HydrophobicContact CE1-CB 3.74Å; Y185-R199 HydrophobicContact CE1-CG 4.34Å
186	A	97.1	Very high	88.3	Confident	2 Å²	2	57 Å²	57	2%	0.017	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.8	166.8	0	0	0	0	0	108	R141 Y142 I188 Y198	R141-A186 HydrophobicContact CB-CB 4.25Å; Y142-A186 HydrophobicContact CD1-CB 3.89Å; Y142-A186 HydrophobicContact CE1-CB 3.81Å; A186-I188 HydrophobicContact CB-CG2 4.15Å; A186-I188 PolarHBondContact O-N 3.49Å; A186-Y198 PolarHBondContact N-O 3.09Å; A186-Y198 PolarHBondContact O-N 3.02Å
187	C	97	Very high	89.9	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	107.5	175.6	178.8	0	0	0	0	108.2	Q35 G145 C148 I150 C166 W197	Q35-C187 PolarHBondContact NE2-O 3.34Å; Q35-C187 PolarHBondContact OE1-O 3.1Å; G145-C187 WeakPolarHBondContact CA-O 3.31Å; C148-C187 HydrophobicContact CB-CB 4.42Å; C148-C187 WeakPolarHBondContact CB-SG 3.41Å; I150-C187 HydrophobicContact CD1-CB 4.08Å; I150-C187 HydrophobicContact CG1-CB 3.75Å; C166-C187 HydrophobicContact CB-CB 3.63Å; C166-C187 WeakPolarHBondContact CB-SG 3.45Å; C166-C187 VanDerWaalsContact SG-CA 3.55Å; C166-C187 WeakPolarHBondContact SG-CB 3.48Å; C166-C187 CovalentContact SG-SG 2.02Å; C166-C187 PolarHBondContact SG-SG 2.65Å; C187-W197 HydrophobicContact CB-CE3 3.95Å; C187-W197 HydrophobicContact CB-CH2 4.33Å; C187-W197 HydrophobicContact CB-CZ3 3.81Å
188	I	95.2	Very high	91.2	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.026	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	152.6	-175.1	64	171.8	0	0	0	111.3	C148 A186 C195 S196 Y198	C148-I188 VanDerWaalsContact SG-C 3.53Å; A186-I188 HydrophobicContact CB-CG2 4.15Å; A186-I188 PolarHBondContact O-N 3.49Å; I188-C195 WeakPolarHBondContact O-CA 3.47Å; I188-S196 PolarHBondContact N-O 2.96Å; I188-S196 PolarHBondContact O-N 3.27Å; I188-Y198 VanDerWaalsContact CD1-CB 3.49Å; I188-Y198 HydrophobicContact CD1-CD1 3.51Å; I188-Y198 HydrophobicContact CD1-CD2 3.96Å; I188-Y198 HydrophobicContact CD1-CE1 4.11Å; I188-Y198 HydrophobicContact CD1-CG 3.39Å; I188-Y198 HydrophobicContact CG1-CD1 4.43Å; I188-Y198 HydrophobicContact CG1-CG 4.07Å
189	Q	92.5	Very high	91.6	Very high	92 Å²	92	55.9 Å²	55.9	43%	0.43	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.1	174	-164.9	174.1	27.7	0	0	110.4	C148 G193	C148-Q189 PolarHBondContact SG-N 3.25Å; C148-Q189 VanDerWaalsContact SG-N 3.37Å; Q189-G193 PolarHBondContact NE2-O 3.02Å
190	Q	88.4	Confident	90.9	Very high	47 Å²	47	56.3 Å²	56.3	22%	0.22	26%	0.257	C	S	.	.			trans	-89.2	169.4	175.2	-57.7	-58.3	-18.3	0	0	111.3	E192 G193 Y194 S196	Q190-E192 PolarHBondContact O-N 2.78Å; Q190-E192 VanDerWaalsContact O-N 3.17Å; Q190-G193 PolarHBondContact O-N 3.07Å; Q190-Y194 HydrophobicContact CB-CD1 4.5Å; Q190-Y194 HydrophobicContact CB-CE1 4.17Å; Q190-Y194 HydrophobicContact CB-CE2 4.4Å; Q190-Y194 HydrophobicContact CG-CD2 4.41Å; Q190-Y194 HydrophobicContact CG-CE2 3.96Å; Q190-Y194 PolarHBondContact N-O 3.41Å; Q190-S196 VanDerWaalsContact CG-OG 3.26Å; Q190-S196 WeakPolarHBondContact CG-OG 3.29Å; Q190-S196 PolarHBondContact NE2-OG 2.93Å
191	K	80.7	Confident	89.3	Confident	163 Å²	163	58.2 Å²	58.2	71%	0.709	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-31.2	-178.6	-66.6	-175.3	-176.8	177.8	0	112.6	G193 R204 D205	K191-G193 VanDerWaalsContact C-N 3.25Å; K191-G193 PolarHBondContact O-N 2.95Å; K191-R204 PolarHBondContact NZ-O 3.37Å; K191-D205 IonicContact NZ-OD1 2.72Å; K191-D205 PolarHBondContact NZ-OD1 2.98Å
192	E	80.1	Confident	87.2	Confident	159 Å²	159	61.7 Å²	61.7	74%	0.743	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	5.7	-179.6	-67.1	163	-147.3	0	0	113.5	Q190 Y194	Q190-E192 PolarHBondContact O-N 2.78Å; Q190-E192 VanDerWaalsContact O-N 3.17Å; E192-Y194 VanDerWaalsContact C-N 3.34Å; E192-Y194 HydrophobicContact CB-CD1 3.72Å; E192-Y194 HydrophobicContact CB-CE1 3.67Å; E192-Y194 HydrophobicContact CG-CE1 4.4Å; E192-Y194 PolarHBondContact O-N 3.44Å; E192-Y194 WeakPolarHBondContact OE2-CE1 3.47Å
193	G	83.8	Confident	84.8	Confident	33 Å²	33	66.2 Å²	66.2	34%	0.34	33%	0.327	S	S	.	.	S	Bend	trans	86.8	-9.4	172.8	0	0	0	0	0	115.6	Q189 Q190 K191	Q189-G193 PolarHBondContact NE2-O 3.02Å; Q190-G193 PolarHBondContact O-N 3.07Å; K191-G193 VanDerWaalsContact C-N 3.25Å; K191-G193 PolarHBondContact O-N 2.95Å
194	Y	91.7	Very high	82.9	Confident	92 Å²	92	69 Å²	69	36%	0.361	34%	0.337	S	S	.	.			trans	-85.2	154.2	172	72	-86.5	0	0	0	112.1	K163 Q190 E192	K163-Y194 CarbonylContact O-C 3.59Å; K163-Y194 WeakPolarHBondContact O-CA 3.45Å; K163-Y194 WeakPolarHBondContact O-CB 3.44Å; Q190-Y194 HydrophobicContact CB-CD1 4.5Å; Q190-Y194 HydrophobicContact CB-CE1 4.17Å; Q190-Y194 HydrophobicContact CB-CE2 4.4Å; Q190-Y194 HydrophobicContact CG-CD2 4.41Å; Q190-Y194 HydrophobicContact CG-CE2 3.96Å; Q190-Y194 PolarHBondContact N-O 3.41Å; E192-Y194 VanDerWaalsContact C-N 3.34Å; E192-Y194 HydrophobicContact CB-CD1 3.72Å; E192-Y194 HydrophobicContact CB-CE1 3.67Å; E192-Y194 HydrophobicContact CG-CE1 4.4Å; E192-Y194 PolarHBondContact O-N 3.44Å; E192-Y194 WeakPolarHBondContact OE2-CE1 3.47Å
195	C	95.4	Very high	80.7	Confident	8 Å²	8	71.4 Å²	71.4	5%	0.054	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	137.8	175.2	-67	0	0	0	0	110.4	C148 K163 N164 I188	C148-C195 VanDerWaalsContact CA-SG 3.54Å; C148-C195 HydrophobicContact CB-CB 3.63Å; C148-C195 WeakPolarHBondContact CB-SG 3.42Å; C148-C195 WeakPolarHBondContact SG-CB 3.33Å; C148-C195 CovalentContact SG-SG 2.03Å; C148-C195 PolarHBondContact SG-SG 3.47Å; K163-C195 PolarHBondContact O-N 2.68Å; N164-C195 VanDerWaalsContact CA-SG 3.6Å; I188-C195 WeakPolarHBondContact O-CA 3.47Å
196	S	94.9	Very high	78	Confident	31 Å²	31	77.3 Å²	77.3	22%	0.217	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	162	175.1	67.7	0	0	0	0	112.3	C166 I188 Q190 Y198	C166-S196 VanDerWaalsContact SG-CA 3.52Å; I188-S196 PolarHBondContact N-O 2.96Å; I188-S196 PolarHBondContact O-N 3.27Å; Q190-S196 VanDerWaalsContact CG-OG 3.26Å; Q190-S196 WeakPolarHBondContact CG-OG 3.29Å; Q190-S196 PolarHBondContact NE2-OG 2.93Å; S196-Y198 PolarHBondContact O-N 3.44Å
197	W	95.5	Very high	75.5	Confident	52 Å²	52	83.3 Å²	83.3	20%	0.197	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	127.4	177.1	-74.3	125.8	0	0	0	111.7	H33 I150 C166 L167 W168 Q181 Y185 C187	H33-W197 AromaticContact CD2-CH2 3.82Å; H33-W197 AromaticContact CE1-CZ3 3.88Å; H33-W197 AromaticContact NE2-CH2 3.64Å; H33-W197 AromaticContact NE2-CZ3 3.65Å; I150-W197 HydrophobicContact CD1-CH2 3.95Å; I150-W197 HydrophobicContact CD1-CZ3 4.27Å; I150-W197 HydrophobicContact CG1-CH2 4.18Å; I150-W197 HydrophobicContact CG2-CH2 3.92Å; I150-W197 HydrophobicContact CG2-CZ2 4.16Å; C166-W197 HydrophobicContact CB-CD2 3.99Å; C166-W197 HydrophobicContact CB-CG 4.38Å; C166-W197 HydrophobicContact CB-CZ2 3.96Å; L167-W197 PolarHBondContact O-NE1 3.03Å; W168-W197 HydrophobicContact CB-CZ2 4.05Å; W168-W197 HydrophobicContact CG-CZ2 4.47Å; Q181-W197 HydrophobicContact CB-CZ2 4.49Å; Y185-W197 HydrophobicContact CD1-CB 3.69Å; Y185-W197 HydrophobicContact CE1-CB 4.31Å; Y185-W197 HydrophobicContact CG-CB 4.24Å; C187-W197 HydrophobicContact CB-CE3 3.95Å; C187-W197 HydrophobicContact CB-CH2 4.33Å; C187-W197 HydrophobicContact CB-CZ3 3.81Å
198	Y	92.3	Very high	72.9	Confident	44 Å²	44	90.3 Å²	90.3	17%	0.173	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.6	-179	178	-105.7	0	0	0	111.8	Y185 A186 I188 S196 G200 T202	Y185-Y198 WeakPolarHBondContact CA-O 3.28Å; A186-Y198 PolarHBondContact N-O 3.09Å; A186-Y198 PolarHBondContact O-N 3.02Å; I188-Y198 VanDerWaalsContact CD1-CB 3.49Å; I188-Y198 HydrophobicContact CD1-CD1 3.51Å; I188-Y198 HydrophobicContact CD1-CD2 3.96Å; I188-Y198 HydrophobicContact CD1-CE1 4.11Å; I188-Y198 HydrophobicContact CD1-CG 3.39Å; I188-Y198 HydrophobicContact CG1-CD1 4.43Å; I188-Y198 HydrophobicContact CG1-CG 4.07Å; S196-Y198 PolarHBondContact O-N 3.44Å; Y198-G200 WeakPolarHBondContact OH-CA 3.45Å; Y198-T202 PolarHBondContact OH-O 3.21Å; Y198-T202 VanDerWaalsContact OH-O 3.09Å
199	R	87.2	Confident	70.3	Confident	101 Å²	101	96.7 Å²	96.7	38%	0.381	48%	0.484	S	S	.	.			trans	-93.5	-23.3	178.4	-162	173.9	178	-167.1	-3.2	112.9	R141 Y180 Y185	R141-R199 PolarHBondContact NH1-O 2.95Å; Y180-R199 PolarHBondContact OH-NH2 2.92Å; Y180-R199 VanDerWaalsContact OH-NH2 3.15Å; Y185-R199 HydrophobicContact CD1-CB 3.98Å; Y185-R199 HydrophobicContact CE1-CB 3.74Å; Y185-R199 HydrophobicContact CE1-CG 4.34Å
200	G	72.8	Confident	67.8	Low	16 Å²	16	99.2 Å²	99.2	17%	0.165	50%	0.5	C	S	.	.	S	Bend	trans	62.3	42.3	179.5	0	0	0	0	0	115.8	R141 Y198	R141-G200 PolarHBondContact NH2-O 3.29Å; Y198-G200 WeakPolarHBondContact OH-CA 3.45Å
201	M	58.4	Low	65.5	Low	154 Å²	154	102 Å²	102	76%	0.759	53%	0.531	S	S	*	.			trans	-87.7	-18.1	157.7	-88.1	162.4	72.1	0	0	112.2
202	T	49.7	Very low	63.6	Low	100 Å²	100	100.1 Å²	100.1	61%	0.613	53%	0.534	S	S	*	.	S	Bend	trans	-103.6	133.2	179.2	48.6	0	0	0	0	110.5	Y198	Y198-T202 PolarHBondContact OH-O 3.21Å; Y198-T202 VanDerWaalsContact OH-O 3.09Å
203	S	45.4	Very low	61.3	Low	96 Å²	96	99.8 Å²	99.8	67%	0.671	54%	0.537	S	S	*	.			trans	-57.7	146.3	165.2	43.3	0	0	0	0	109.1	D205	S203-D205 PolarHBondContact O-N 3.49Å; S203-D205 PolarHBondContact OG-O 3.38Å
204	R	53.9	Low	59.1	Low	144 Å²	144	106 Å²	106	54%	0.543	57%	0.572	S	S	.	*	S	Bend	trans	-62.2	5.4	178	-112.2	-177.7	175.3	176	-3.8	114.7	K191	K191-R204 PolarHBondContact NZ-O 3.37Å
205	D	46.6	Very low	57.5	Low	102 Å²	102	106.7 Å²	106.7	55%	0.545	58%	0.582	S	S	.	*	S	Bend	trans	-129.6	137.8	176.6	-102.7	-6.7	0	0	0	112.6	K191 S203	K191-D205 IonicContact NZ-OD1 2.72Å; K191-D205 PolarHBondContact NZ-OD1 2.98Å; S203-D205 PolarHBondContact O-N 3.49Å; S203-D205 PolarHBondContact OG-O 3.38Å
206	K	40.5	Very low	55.5	Low	183 Å²	183	111.9 Å²	111.9	80%	0.796	61%	0.61	S	S	*	*	S	Bend	trans	78.9	97	172.9	-56.3	-173.8	-174.9	-176.1	0	115
207	T	44.2	Very low	53.3	Low	127 Å²	127	116.4 Å²	116.4	78%	0.779	63%	0.632	S	S	*	*			trans	46.4	109.3	138.5	46.4	0	0	0	0	115.9
208	I	41.4	Very low	50.8	Low	147 Å²	147	120.2 Å²	120.2	75%	0.754	66%	0.657	S	S	*	*				177.5	111.1	121.4	-89.4	154.8	0	0	0	109.9
209	I	40.8	Very low	48.2	Very low	139 Å²	139	124.9 Å²	124.9	71%	0.713	69%	0.688	S	S	*	*				63.7	119.6	129.8	-41	173.5	0	0	0	119
210	N	40	Very low	45.6	Very low	145 Å²	145	126.5 Å²	126.5	78%	0.775	71%	0.708	S	S	*	*			trans	10	109.5	150	-59.9	-15.7	0	0	0	116.7
211	A	40.4	Very low	43.7	Very low	105 Å²	105	134.4 Å²	134.4	87%	0.868	75%	0.747	S	S	*	*			trans	-126.7	62.5	147.8	0	0	0	0	0	108.2
212	T	41.5	Very low	42.5	Very low	124 Å²	124	132.9 Å²	132.9	76%	0.761	75%	0.746	S	S	*	*			trans	-96.6	94.1	144.9	30.3	0	0	0	0	105.9
213	D	30	Very low	41.9	Very low	152 Å²	152	135.7 Å²	135.7	81%	0.813	76%	0.757	S	S	*	*			trans	-167.9	160.2	149.9	-126	-5.8	0	0	0	109.6
214	P	38.5	Very low	41.6	Very low	164 Å²	164	139.3 Å²	139.3	100%	1.065	77%	0.765	S	S	*	*				-80.1	0	-114.1	-10.2	28.5	0	0	0	115.9

Retrieved 214 of 214 residues in 447.1 ms (Link to these results)

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