A0A077YXB9_TRITR Loading...

Peptidase, M16 family

AlphaFold DB , UniProt , Accession A0A077YXB9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 128 aa.

						>A0A077YXB9_TRITR|A0A077YXB9
MWTTSHLILTILLFVAIRHKAYAHAEERKRTKLHHILENLRNNQVICMKRSKESVQYIIEMEIDRKPTFRLRCHCTNVYNKAKTLCYFFVPYEAKWLLASKQHLKGDGCVQKLKTKVEVRKSRLSVSL
					

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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	66.1	Low	77.5	Confident	228 Å²	228	111.4 Å²	111.4	100%	1.123	58%	0.576	S	S	*	*				0	125.8	0	-70	167.1	74.4	0	0	108	T3	M1-T3 PolarHBondContact O-N 3.34Å
2	W	64.3	Low	77.8	Confident	193 Å²	193	111.1 Å²	111.1	73%	0.731	58%	0.575	S	S	*	*			trans	-68.1	115.5	174.4	-85.3	42.1	0	0	0	108.8	L7	W2-L7 HydrophobicContact CE3-CD1 4.48Å
3	T	78.7	Confident	77.9	Confident	68 Å²	68	110 Å²	110	42%	0.417	57%	0.57	S	S	.	*			trans	-83.4	159.8	172.4	73	0	0	0	0	109.8	M1 S5 H6 L7	M1-T3 PolarHBondContact O-N 3.34Å; T3-S5 PolarHBondContact O-N 2.89Å; T3-S5 VanDerWaalsContact O-N 3.14Å; T3-H6 PolarHBondContact N-ND1 3.02Å; T3-H6 WeakPolarHBondContact O-CB 3.35Å; T3-H6 PolarHBondContact O-N 3.41Å; T3-H6 PolarHBondContact OG1-CE1 3.39Å; T3-H6 PolarHBondContact OG1-ND1 2.66Å; T3-L7 PolarHBondContact O-N 2.74Å
4	T	79.9	Confident	77.7	Confident	112 Å²	112	111.2 Å²	111.2	69%	0.687	57%	0.569	S	S	*	*	H	α-helix	trans	-52.5	-34.1	175.3	45.8	0	0	0	0	112.5	H6 L7 I8	T4-H6 VanDerWaalsContact C-N 3.32Å; T4-H6 PolarHBondContact O-N 3.14Å; T4-L7 WeakPolarHBondContact O-CB 3.37Å; T4-L7 PolarHBondContact O-N 3.25Å; T4-L7 VanDerWaalsContact O-N 3.15Å; T4-I8 WeakPolarHBondContact O-CG1 3.44Å; T4-I8 PolarHBondContact O-N 3.25Å
5	S	76.2	Confident	77.4	Confident	83 Å²	83	109.9 Å²	109.9	58%	0.58	57%	0.568	S	S	*	*	H	α-helix	trans	-60.2	-37.9	173.5	-50.3	0	0	0	0	113.1	T3 L7 L9	T3-S5 PolarHBondContact O-N 2.89Å; T3-S5 VanDerWaalsContact O-N 3.14Å; S5-L7 VanDerWaalsContact C-N 3.34Å; S5-L9 WeakPolarHBondContact O-CB 3.5Å; S5-L9 PolarHBondContact O-N 3.44Å
6	H	80.9	Confident	77	Confident	94 Å²	94	106.8 Å²	106.8	44%	0.435	56%	0.564	S	S	.	*	H	α-helix	trans	-67.1	-38	175.8	-62.5	82.8	0	0	0	111	T3 T4 T10	T3-H6 PolarHBondContact N-ND1 3.02Å; T3-H6 WeakPolarHBondContact O-CB 3.35Å; T3-H6 PolarHBondContact O-N 3.41Å; T3-H6 PolarHBondContact OG1-CE1 3.39Å; T3-H6 PolarHBondContact OG1-ND1 2.66Å; T4-H6 VanDerWaalsContact C-N 3.32Å; T4-H6 PolarHBondContact O-N 3.14Å; H6-T10 WeakPolarHBondContact O-CB 3.38Å; H6-T10 PolarHBondContact O-N 3.32Å; H6-T10 PolarHBondContact O-OG1 3.02Å
7	L	77.6	Confident	76.6	Confident	95 Å²	95	107.2 Å²	107.2	50%	0.497	57%	0.565	S	S	.	*	H	α-helix	trans	-65	-46.2	178.6	-156.4	108.6	0	0	0	111.2	W2 T3 T4 S5 T10 I11	W2-L7 HydrophobicContact CE3-CD1 4.48Å; T3-L7 PolarHBondContact O-N 2.74Å; T4-L7 WeakPolarHBondContact O-CB 3.37Å; T4-L7 PolarHBondContact O-N 3.25Å; T4-L7 VanDerWaalsContact O-N 3.15Å; S5-L7 VanDerWaalsContact C-N 3.34Å; L7-T10 PolarHBondContact O-N 2.97Å; L7-I11 HydrophobicContact CD2-CD1 4.13Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.45Å; L7-I11 VanDerWaalsContact O-N 3.07Å
8	I	81.4	Confident	75.5	Confident	101 Å²	101	111.6 Å²	111.6	52%	0.518	57%	0.573	S	S	.	*	H	α-helix	trans	-62.7	-46.5	178.1	-65	168.8	0	0	0	110.7	T4 T10 I11 L12	T4-I8 WeakPolarHBondContact O-CG1 3.44Å; T4-I8 PolarHBondContact O-N 3.25Å; I8-T10 VanDerWaalsContact C-N 3.28Å; I8-T10 PolarHBondContact O-N 3Å; I8-I11 PolarHBondContact O-N 3.38Å; I8-L12 HydrophobicContact CG2-CD1 3.98Å; I8-L12 HydrophobicContact CG2-CG 4.44Å; I8-L12 WeakPolarHBondContact O-CG 3.5Å; I8-L12 PolarHBondContact O-N 3.3Å
9	L	82.3	Confident	74.8	Confident	106 Å²	106	112.8 Å²	112.8	56%	0.555	58%	0.575	S	S	*	*	H	α-helix	trans	-59.4	-41.2	178.5	-169.1	73.1	0	0	0	111.6	S5 L12 L13	S5-L9 WeakPolarHBondContact O-CB 3.5Å; S5-L9 PolarHBondContact O-N 3.44Å; L9-L12 PolarHBondContact O-N 2.95Å; L9-L13 HydrophobicContact CG-CD1 4.28Å; L9-L13 WeakPolarHBondContact O-CB 3.24Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 3.24Å
10	T	81.3	Confident	73.8	Confident	49 Å²	49	114.3 Å²	114.3	30%	0.301	58%	0.578	S	S	.	*	H	α-helix	trans	-65.4	-41.9	178.8	-49.7	0	0	0	0	111.8	H6 L7 I8 L13 F14	H6-T10 WeakPolarHBondContact O-CB 3.38Å; H6-T10 PolarHBondContact O-N 3.32Å; H6-T10 PolarHBondContact O-OG1 3.02Å; L7-T10 PolarHBondContact O-N 2.97Å; I8-T10 VanDerWaalsContact C-N 3.28Å; I8-T10 PolarHBondContact O-N 3Å; T10-L13 PolarHBondContact O-N 3.35Å; T10-F14 HydrophobicContact CG2-CD2 4.19Å; T10-F14 HydrophobicContact CG2-CE2 4.36Å; T10-F14 WeakPolarHBondContact O-CD2 3.42Å; T10-F14 PolarHBondContact O-N 3.04Å
11	I	84	Confident	72.8	Confident	96 Å²	96	111.7 Å²	111.7	49%	0.492	57%	0.574	S	S	.	*	H	α-helix	trans	-63	-45.5	176.2	-67.5	168.1	0	0	0	110.7	L7 I8 L13 F14 V15	L7-I11 HydrophobicContact CD2-CD1 4.13Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.45Å; L7-I11 VanDerWaalsContact O-N 3.07Å; I8-I11 PolarHBondContact O-N 3.38Å; I11-L13 VanDerWaalsContact C-N 3.34Å; I11-L13 PolarHBondContact O-N 3.07Å; I11-F14 WeakPolarHBondContact O-CB 3.43Å; I11-F14 PolarHBondContact O-N 3.15Å; I11-V15 WeakPolarHBondContact O-CG2 3.4Å; I11-V15 PolarHBondContact O-N 3Å
12	L	80.3	Confident	72.1	Confident	108 Å²	108	108.3 Å²	108.3	57%	0.565	55%	0.549	S	S	*	.	H	α-helix	trans	-61.6	-41.8	178.3	-71	172.3	0	0	0	111.9	I8 L9 V15 A16	I8-L12 HydrophobicContact CG2-CD1 3.98Å; I8-L12 HydrophobicContact CG2-CG 4.44Å; I8-L12 WeakPolarHBondContact O-CG 3.5Å; I8-L12 PolarHBondContact O-N 3.3Å; L9-L12 PolarHBondContact O-N 2.95Å; L12-V15 PolarHBondContact O-N 2.9Å; L12-A16 WeakPolarHBondContact O-CB 3.46Å; L12-A16 PolarHBondContact O-N 3.05Å
13	L	79.7	Confident	71.3	Confident	97 Å²	97	101.3 Å²	101.3	51%	0.508	53%	0.532	S	S	.	.	H	α-helix	trans	-61	-44.3	174.2	-77.9	164.2	0	0	0	111.8	L9 T10 I11 V15 A16 I17	L9-L13 HydrophobicContact CG-CD1 4.28Å; L9-L13 WeakPolarHBondContact O-CB 3.24Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 3.24Å; T10-L13 PolarHBondContact O-N 3.35Å; I11-L13 VanDerWaalsContact C-N 3.34Å; I11-L13 PolarHBondContact O-N 3.07Å; L13-V15 VanDerWaalsContact C-N 3.34Å; L13-V15 PolarHBondContact O-N 3.32Å; L13-A16 PolarHBondContact O-N 3Å; L13-I17 WeakPolarHBondContact O-CD1 3.39Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.38Å; L13-I17 PolarHBondContact O-N 3.21Å
14	F	75.1	Confident	70	Confident	127 Å²	127	102.9 Å²	102.9	56%	0.557	54%	0.535	S	S	*	.	H	α-helix	trans	-60.2	-42.7	176.4	-102.8	-82.8	0	0	0	112.5	T10 I11 R18	T10-F14 HydrophobicContact CG2-CD2 4.19Å; T10-F14 HydrophobicContact CG2-CE2 4.36Å; T10-F14 WeakPolarHBondContact O-CD2 3.42Å; T10-F14 PolarHBondContact O-N 3.04Å; I11-F14 WeakPolarHBondContact O-CB 3.43Å; I11-F14 PolarHBondContact O-N 3.15Å; F14-R18 WeakPolarHBondContact O-CG 3.49Å; F14-R18 PolarHBondContact O-N 2.96Å
15	V	72.6	Confident	68.7	Low	91 Å²	91	99.7 Å²	99.7	55%	0.552	52%	0.52	S	S	*	.	H	α-helix	trans	-64.9	-44.8	177	174.1	0	0	0	0	110.8	I11 L12 L13 I17 R18 H19	I11-V15 WeakPolarHBondContact O-CG2 3.4Å; I11-V15 PolarHBondContact O-N 3Å; L12-V15 PolarHBondContact O-N 2.9Å; L13-V15 VanDerWaalsContact C-N 3.34Å; L13-V15 PolarHBondContact O-N 3.32Å; V15-I17 PolarHBondContact O-N 3.29Å; V15-R18 PolarHBondContact O-N 3.47Å; V15-H19 WeakPolarHBondContact O-CB 3.47Å; V15-H19 PolarHBondContact O-N 3.33Å
16	A	71.2	Confident	67.3	Low	61 Å²	61	101.1 Å²	101.1	50%	0.504	52%	0.517	S	S	.	.	H	α-helix	trans	-62.1	-42.8	178.7	0	0	0	0	0	112.5	L12 L13 H19 K20	L12-A16 WeakPolarHBondContact O-CB 3.46Å; L12-A16 PolarHBondContact O-N 3.05Å; L13-A16 PolarHBondContact O-N 3Å; A16-H19 PolarHBondContact O-N 3Å; A16-K20 PolarHBondContact O-N 2.92Å
17	I	71.3	Confident	65.6	Low	113 Å²	113	102.4 Å²	102.4	58%	0.579	52%	0.523	S	S	*	.	H	α-helix	trans	-62.3	-45.8	176.2	-67.7	164.9	0	0	0	110.5	L13 V15 H19 K20 A21	L13-I17 WeakPolarHBondContact O-CD1 3.39Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.38Å; L13-I17 PolarHBondContact O-N 3.21Å; V15-I17 PolarHBondContact O-N 3.29Å; I17-H19 VanDerWaalsContact C-N 3.34Å; I17-H19 PolarHBondContact O-N 2.89Å; I17-K20 PolarHBondContact O-N 3.25Å; I17-A21 WeakPolarHBondContact O-CB 3.4Å; I17-A21 PolarHBondContact O-N 3.4Å
18	R	56	Low	64.3	Low	187 Å²	187	107.1 Å²	107.1	71%	0.706	54%	0.535	S	S	*	.	H	α-helix	trans	-62	-41	177	-76.4	-172.8	179	-165	1.8	112	F14 V15 A21 Y22	F14-R18 WeakPolarHBondContact O-CG 3.49Å; F14-R18 PolarHBondContact O-N 2.96Å; V15-R18 PolarHBondContact O-N 3.47Å; R18-A21 PolarHBondContact O-N 3.33Å; R18-Y22 WeakPolarHBondContact O-CB 3.42Å; R18-Y22 PolarHBondContact O-N 3.45Å
19	H	61.5	Low	62.6	Low	134 Å²	134	109.7 Å²	109.7	62%	0.62	54%	0.542	S	S	*	.	H	α-helix	trans	-65.4	-43.7	179.2	-163.5	-83.2	0	0	0	111.9	V15 A16 I17 Y22 A23	V15-H19 WeakPolarHBondContact O-CB 3.47Å; V15-H19 PolarHBondContact O-N 3.33Å; A16-H19 PolarHBondContact O-N 3Å; I17-H19 VanDerWaalsContact C-N 3.34Å; I17-H19 PolarHBondContact O-N 2.89Å; H19-Y22 PolarHBondContact O-N 3.39Å; H19-A23 PolarHBondContact O-N 2.98Å
20	K	54.7	Low	61	Low	143 Å²	143	114 Å²	114	62%	0.622	55%	0.551	S	S	*	*	H	α-helix	trans	-64.2	-40.9	176.1	-169.6	174.8	-178.6	179.3	0	111.9	A16 I17 Y22 A23 H24	A16-K20 PolarHBondContact O-N 2.92Å; I17-K20 PolarHBondContact O-N 3.25Å; K20-Y22 VanDerWaalsContact C-N 3.34Å; K20-A23 PolarHBondContact O-N 3.02Å; K20-H24 PolarHBondContact O-CD2 3.12Å; K20-H24 PolarHBondContact O-N 3.49Å; K20-H24 VanDerWaalsContact O-N 3.12Å
21	A	53.9	Low	59.5	Low	60 Å²	60	115.9 Å²	115.9	50%	0.496	56%	0.562	S	S	.	*	H	α-helix	trans	-63.2	-40.1	174.4	0	0	0	0	0	111.9	I17 R18 A25	I17-A21 WeakPolarHBondContact O-CB 3.4Å; I17-A21 PolarHBondContact O-N 3.4Å; R18-A21 PolarHBondContact O-N 3.33Å; A21-A25 WeakPolarHBondContact O-CB 3.36Å; A21-A25 PolarHBondContact O-N 3.4Å
22	Y	51.3	Low	57.6	Low	157 Å²	157	118.4 Å²	118.4	62%	0.616	57%	0.57	S	S	*	*	H	α-helix	trans	-64.3	-48.2	176.4	-169.1	-89.9	0	0	0	111.9	R18 H19 K20 H24 A25 E26	R18-Y22 WeakPolarHBondContact O-CB 3.42Å; R18-Y22 PolarHBondContact O-N 3.45Å; H19-Y22 PolarHBondContact O-N 3.39Å; K20-Y22 VanDerWaalsContact C-N 3.34Å; Y22-H24 PolarHBondContact O-N 3.49Å; Y22-A25 PolarHBondContact O-N 3.02Å; Y22-A25 VanDerWaalsContact O-N 3.14Å; Y22-E26 WeakPolarHBondContact O-CB 3.24Å; Y22-E26 PolarHBondContact O-N 2.96Å
23	A	46.5	Very low	55.7	Low	45 Å²	45	117.8 Å²	117.8	37%	0.372	57%	0.567	S	S	.	*	H	α-helix	trans	-59.2	-44.6	178.8	0	0	0	0	0	112.4	H19 K20 A25 E26 E27	H19-A23 PolarHBondContact O-N 2.98Å; K20-A23 PolarHBondContact O-N 3.02Å; A23-A25 PolarHBondContact O-N 3.41Å; A23-E26 PolarHBondContact O-N 2.95Å; A23-E27 PolarHBondContact O-N 3.31Å
24	H	51.9	Low	54.1	Low	101 Å²	101	118.9 Å²	118.9	47%	0.468	57%	0.569	S	S	.	*	H	α-helix	trans	-65.5	-37.4	175.1	-83	-55.6	0	0	0	113.2	K20 Y22 E26 R28	K20-H24 PolarHBondContact O-CD2 3.12Å; K20-H24 PolarHBondContact O-N 3.49Å; K20-H24 VanDerWaalsContact O-N 3.12Å; Y22-H24 PolarHBondContact O-N 3.49Å; H24-E26 VanDerWaalsContact C-N 3.34Å; H24-R28 WeakPolarHBondContact O-CB 3.44Å; H24-R28 WeakPolarHBondContact O-CG 3.47Å; H24-R28 PolarHBondContact O-N 3.14Å
25	A	52.8	Low	52.8	Low	45 Å²	45	118.2 Å²	118.2	37%	0.372	57%	0.567	S	S	.	*	H	α-helix	trans	-66.3	-38.5	175.7	0	0	0	0	0	111.4	A21 Y22 A23 K29	A21-A25 WeakPolarHBondContact O-CB 3.36Å; A21-A25 PolarHBondContact O-N 3.4Å; Y22-A25 PolarHBondContact O-N 3.02Å; Y22-A25 VanDerWaalsContact O-N 3.14Å; A23-A25 PolarHBondContact O-N 3.41Å; A25-K29 WeakPolarHBondContact O-CB 3.49Å; A25-K29 VanDerWaalsContact O-CG 3.24Å; A25-K29 WeakPolarHBondContact O-CG 3.47Å; A25-K29 PolarHBondContact O-N 2.87Å
26	E	46.3	Very low	51.3	Low	113 Å²	113	116.7 Å²	116.7	53%	0.528	56%	0.556	S	S	.	*	H	α-helix	trans	-67.9	-42.3	177.3	-161.2	174.1	-174.2	0	0	111.8	Y22 A23 H24 K29 R30	Y22-E26 WeakPolarHBondContact O-CB 3.24Å; Y22-E26 PolarHBondContact O-N 2.96Å; A23-E26 PolarHBondContact O-N 2.95Å; H24-E26 VanDerWaalsContact C-N 3.34Å; E26-K29 WeakPolarHBondContact O-CB 3.39Å; E26-K29 PolarHBondContact O-N 3.12Å; E26-R30 WeakPolarHBondContact O-CB 3.14Å; E26-R30 PolarHBondContact O-N 3.03Å
27	E	47	Very low	49.8	Very low	121 Å²	121	117.5 Å²	117.5	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-65.4	-43.4	176.3	-169	169.6	-154.9	0	0	112.4	A23 K29 R30 T31	A23-E27 PolarHBondContact O-N 3.31Å; E27-K29 VanDerWaalsContact C-N 3.32Å; E27-K29 PolarHBondContact O-N 2.84Å; E27-R30 WeakPolarHBondContact O-CB 3.31Å; E27-R30 PolarHBondContact O-N 3.09Å; E27-R30 VanDerWaalsContact O-N 3.12Å; E27-T31 PolarHBondContact O-N 2.93Å; E27-T31 PolarHBondContact O-OG1 3.23Å
28	R	49.8	Very low	48.5	Very low	194 Å²	194	116.4 Å²	116.4	73%	0.732	54%	0.543	S	S	*	.	H	α-helix	trans	-62.1	-38.2	172.2	-76.6	-176.8	-178.7	-179.7	1	112.4	H24 R30 T31 K32	H24-R28 WeakPolarHBondContact O-CB 3.44Å; H24-R28 WeakPolarHBondContact O-CG 3.47Å; H24-R28 PolarHBondContact O-N 3.14Å; R28-R30 VanDerWaalsContact C-N 3.32Å; R28-T31 WeakPolarHBondContact CA-OG1 3.43Å; R28-T31 PolarHBondContact O-OG1 3.45Å; R28-T31 VanDerWaalsContact O-OG1 3.09Å; R28-K32 VanDerWaalsContact O-CB 3.31Å; R28-K32 WeakPolarHBondContact O-CB 3.45Å; R28-K32 PolarHBondContact O-N 3.25Å
29	K	44.7	Very low	47.7	Very low	155 Å²	155	111.3 Å²	111.3	67%	0.674	53%	0.53	S	S	*	.	H	α-helix	trans	-64.3	-39.5	173.1	-78.7	176.1	-177.1	-177.3	0	110.8	A25 E26 E27 L33	A25-K29 WeakPolarHBondContact O-CB 3.49Å; A25-K29 VanDerWaalsContact O-CG 3.24Å; A25-K29 WeakPolarHBondContact O-CG 3.47Å; A25-K29 PolarHBondContact O-N 2.87Å; E26-K29 WeakPolarHBondContact O-CB 3.39Å; E26-K29 PolarHBondContact O-N 3.12Å; E27-K29 VanDerWaalsContact C-N 3.32Å; E27-K29 PolarHBondContact O-N 2.84Å; K29-L33 WeakPolarHBondContact O-CB 3.46Å; K29-L33 PolarHBondContact O-N 2.83Å
30	R	48.7	Very low	46.4	Very low	197 Å²	197	107.2 Å²	107.2	74%	0.743	51%	0.513	S	S	*	.	H	α-helix	trans	-66.8	-43.5	179.2	-160	179.5	-164.1	-179.4	5	112.2	E26 E27 R28 L33 H34	E26-R30 WeakPolarHBondContact O-CB 3.14Å; E26-R30 PolarHBondContact O-N 3.03Å; E27-R30 WeakPolarHBondContact O-CB 3.31Å; E27-R30 PolarHBondContact O-N 3.09Å; E27-R30 VanDerWaalsContact O-N 3.12Å; R28-R30 VanDerWaalsContact C-N 3.32Å; R30-L33 PolarHBondContact O-N 3.31Å; R30-H34 WeakPolarHBondContact O-CB 3.35Å; R30-H34 PolarHBondContact O-N 2.96Å
31	T	50.4	Low	45.7	Very low	88 Å²	88	110.5 Å²	110.5	54%	0.54	52%	0.521	S	S	.	.	H	α-helix	trans	-68.3	-42.3	176.3	49.8	0	0	0	0	111.8	E27 R28 L33 H34 H35	E27-T31 PolarHBondContact O-N 2.93Å; E27-T31 PolarHBondContact O-OG1 3.23Å; R28-T31 WeakPolarHBondContact CA-OG1 3.43Å; R28-T31 PolarHBondContact O-OG1 3.45Å; R28-T31 VanDerWaalsContact O-OG1 3.09Å; T31-L33 VanDerWaalsContact C-N 3.34Å; T31-L33 PolarHBondContact O-N 2.81Å; T31-H34 PolarHBondContact O-N 3.47Å; T31-H35 WeakPolarHBondContact O-CB 3.32Å; T31-H35 PolarHBondContact O-N 2.91Å
32	K	44.1	Very low	44.9	Very low	150 Å²	150	113 Å²	113	65%	0.652	53%	0.526	S	S	*	.	H	α-helix	trans	-62.1	-42.3	173.7	-166.1	177.1	-176.9	-179.2	0	111.4	R28 H35 I36	R28-K32 VanDerWaalsContact O-CB 3.31Å; R28-K32 WeakPolarHBondContact O-CB 3.45Å; R28-K32 PolarHBondContact O-N 3.25Å; K32-H35 PolarHBondContact O-N 3.47Å; K32-I36 HydrophobicContact CG-CD1 3.94Å; K32-I36 WeakPolarHBondContact O-CB 3.4Å; K32-I36 WeakPolarHBondContact O-CD1 3.13Å; K32-I36 WeakPolarHBondContact O-CG1 3.39Å; K32-I36 PolarHBondContact O-N 3.42Å
33	L	40.4	Very low	44.1	Very low	94 Å²	94	111.6 Å²	111.6	49%	0.492	53%	0.529	S	S	.	.	H	α-helix	trans	-63.5	-46.1	175.2	-179.7	64.2	0	0	0	111.5	K29 R30 T31 H35 I36 L37	K29-L33 WeakPolarHBondContact O-CB 3.46Å; K29-L33 PolarHBondContact O-N 2.83Å; R30-L33 PolarHBondContact O-N 3.31Å; T31-L33 VanDerWaalsContact C-N 3.34Å; T31-L33 PolarHBondContact O-N 2.81Å; L33-H35 VanDerWaalsContact C-N 3.34Å; L33-H35 PolarHBondContact O-N 3.43Å; L33-I36 PolarHBondContact O-N 3Å; L33-L37 HydrophobicContact CD1-CD1 4.28Å; L33-L37 HydrophobicContact CD1-CG 4.22Å; L33-L37 HydrophobicContact CG-CD1 3.98Å; L33-L37 HydrophobicContact CG-CG 4.35Å; L33-L37 WeakPolarHBondContact O-CB 3.29Å; L33-L37 VanDerWaalsContact O-CG 3.27Å; L33-L37 WeakPolarHBondContact O-CG 3.4Å; L33-L37 PolarHBondContact O-N 2.89Å
34	H	46.6	Very low	43.6	Very low	120 Å²	120	112 Å²	112	56%	0.556	52%	0.523	S	S	*	.	H	α-helix	trans	-57.7	-47.9	177	-174.1	-81.8	0	0	0	110.9	R30 T31 I36 L37 E38	R30-H34 WeakPolarHBondContact O-CB 3.35Å; R30-H34 PolarHBondContact O-N 2.96Å; T31-H34 PolarHBondContact O-N 3.47Å; H34-I36 VanDerWaalsContact C-N 3.34Å; H34-I36 PolarHBondContact O-N 3.45Å; H34-L37 PolarHBondContact O-N 2.86Å; H34-E38 IonicContact CE1-OE2 4Å; H34-E38 IonicContact ND1-OE2 3.01Å; H34-E38 WeakPolarHBondContact O-CB 3.38Å; H34-E38 PolarHBondContact O-N 3.18Å
35	H	47.1	Very low	43	Very low	114 Å²	114	111.7 Å²	111.7	53%	0.528	53%	0.528	S	S	.	.	H	α-helix	trans	-67.2	-36.1	-178.9	-152.4	17.3	0	0	0	112.2	T31 K32 L33 E38 N39	T31-H35 WeakPolarHBondContact O-CB 3.32Å; T31-H35 PolarHBondContact O-N 2.91Å; K32-H35 PolarHBondContact O-N 3.47Å; L33-H35 VanDerWaalsContact C-N 3.34Å; L33-H35 PolarHBondContact O-N 3.43Å; H35-E38 IonicContact ND1-OE2 2.95Å; H35-N39 WeakPolarHBondContact O-CB 3.45Å; H35-N39 PolarHBondContact O-N 3.29Å; H35-N39 PolarHBondContact O-ND2 3.47Å
36	I	41.7	Very low	42.2	Very low	59 Å²	59	116.3 Å²	116.3	30%	0.303	55%	0.545	S	S	.	.	H	α-helix	trans	-67.1	-41	172.4	-68.4	164.7	0	0	0	111.3	K32 L33 H34 E38 N39 L40	K32-I36 HydrophobicContact CG-CD1 3.94Å; K32-I36 WeakPolarHBondContact O-CB 3.4Å; K32-I36 WeakPolarHBondContact O-CD1 3.13Å; K32-I36 WeakPolarHBondContact O-CG1 3.39Å; K32-I36 PolarHBondContact O-N 3.42Å; L33-I36 PolarHBondContact O-N 3Å; H34-I36 VanDerWaalsContact C-N 3.34Å; H34-I36 PolarHBondContact O-N 3.45Å; I36-E38 VanDerWaalsContact C-N 3.35Å; I36-N39 PolarHBondContact O-N 3.23Å; I36-L40 HydrophobicContact CG2-CD1 4.09Å; I36-L40 HydrophobicContact CG2-CG 4.47Å; I36-L40 WeakPolarHBondContact O-CB 3.27Å; I36-L40 VanDerWaalsContact O-CG 3.29Å; I36-L40 WeakPolarHBondContact O-CG 3.4Å; I36-L40 PolarHBondContact O-N 2.82Å
37	L	39.9	Very low	41.4	Very low	77 Å²	77	113.7 Å²	113.7	40%	0.403	54%	0.539	S	S	.	.	H	α-helix	trans	-66.2	-38.3	177.4	-74.8	173.1	0	0	0	111.7	L33 H34 L40 R41	L33-L37 HydrophobicContact CD1-CD1 4.28Å; L33-L37 HydrophobicContact CD1-CG 4.22Å; L33-L37 HydrophobicContact CG-CD1 3.98Å; L33-L37 HydrophobicContact CG-CG 4.35Å; L33-L37 WeakPolarHBondContact O-CB 3.29Å; L33-L37 VanDerWaalsContact O-CG 3.27Å; L33-L37 WeakPolarHBondContact O-CG 3.4Å; L33-L37 PolarHBondContact O-N 2.89Å; H34-L37 PolarHBondContact O-N 2.86Å; L37-L40 HydrophobicContact CD2-CD1 4.45Å; L37-L40 PolarHBondContact O-N 3.46Å; L37-R41 WeakPolarHBondContact O-CB 3.44Å; L37-R41 PolarHBondContact O-N 3.35Å
38	E	44.1	Very low	40.7	Very low	91 Å²	91	113.6 Å²	113.6	43%	0.425	54%	0.54	S	S	.	.	H	α-helix	trans	-65.5	-45.2	175.5	-163.6	173.2	-158.2	0	0	111.1	H34 H35 I36 L40 R41 N42	H34-E38 IonicContact CE1-OE2 4Å; H34-E38 IonicContact ND1-OE2 3.01Å; H34-E38 WeakPolarHBondContact O-CB 3.38Å; H34-E38 PolarHBondContact O-N 3.18Å; H35-E38 IonicContact ND1-OE2 2.95Å; I36-E38 VanDerWaalsContact C-N 3.35Å; E38-L40 VanDerWaalsContact C-N 3.33Å; E38-L40 PolarHBondContact O-N 3.12Å; E38-R41 WeakPolarHBondContact O-CB 3.41Å; E38-R41 PolarHBondContact O-N 2.95Å; E38-N42 VanDerWaalsContact O-CG 3.23Å; E38-N42 PolarHBondContact O-N 2.84Å; E38-N42 PolarHBondContact O-ND2 3.14Å
39	N	38.1	Very low	40.1	Very low	80 Å²	80	112.5 Å²	112.5	43%	0.428	54%	0.54	S	S	.	.	H	α-helix	trans	-63.1	-36.7	173	-75.8	-18.7	0	0	0	112.8	H35 I36 N42 N43	H35-N39 WeakPolarHBondContact O-CB 3.45Å; H35-N39 PolarHBondContact O-N 3.29Å; H35-N39 PolarHBondContact O-ND2 3.47Å; I36-N39 PolarHBondContact O-N 3.23Å; N39-N42 PolarHBondContact O-N 3.19Å; N39-N43 WeakPolarHBondContact O-CB 3.15Å; N39-N43 PolarHBondContact O-N 2.85Å
40	L	35	Very low	39.6	Very low	48 Å²	48	113.1 Å²	113.1	25%	0.251	54%	0.539	S	S	.	.	H	α-helix	trans	-66.1	-40.8	173.4	-79.7	169.7	0	0	0	112.1	I36 L37 E38 N42 N43 Q44 M61	I36-L40 HydrophobicContact CG2-CD1 4.09Å; I36-L40 HydrophobicContact CG2-CG 4.47Å; I36-L40 WeakPolarHBondContact O-CB 3.27Å; I36-L40 VanDerWaalsContact O-CG 3.29Å; I36-L40 WeakPolarHBondContact O-CG 3.4Å; I36-L40 PolarHBondContact O-N 2.82Å; L37-L40 HydrophobicContact CD2-CD1 4.45Å; L37-L40 PolarHBondContact O-N 3.46Å; E38-L40 VanDerWaalsContact C-N 3.33Å; E38-L40 PolarHBondContact O-N 3.12Å; L40-N42 PolarHBondContact O-N 2.95Å; L40-N43 PolarHBondContact O-N 3.38Å; L40-Q44 PolarHBondContact O-N 3.41Å; L40-M61 HydrophobicContact CD2-CG 4.39Å
41	R	38.7	Very low	39.2	Very low	212 Å²	212	108.1 Å²	108.1	80%	0.8	53%	0.533	S	S	*	.	H	α-helix	trans	-61.8	-36.7	175.4	-165.7	-179.5	-173.3	-175.1	0.8	111	L37 E38	L37-R41 WeakPolarHBondContact O-CB 3.44Å; L37-R41 PolarHBondContact O-N 3.35Å; E38-R41 WeakPolarHBondContact O-CB 3.41Å; E38-R41 PolarHBondContact O-N 2.95Å
42	N	37.7	Very low	39.3	Very low	113 Å²	113	114.2 Å²	114.2	60%	0.604	55%	0.552	S	S	*	*	H	α-helix	trans	-76.7	-35.2	179.3	-67.6	-16.7	0	0	0	113	E38 N39 L40	E38-N42 VanDerWaalsContact O-CG 3.23Å; E38-N42 PolarHBondContact O-N 2.84Å; E38-N42 PolarHBondContact O-ND2 3.14Å; N39-N42 PolarHBondContact O-N 3.19Å; L40-N42 PolarHBondContact O-N 2.95Å
43	N	33.7	Very low	39.6	Very low	126 Å²	126	114.8 Å²	114.8	67%	0.674	56%	0.558	S	S	*	*	H	α-helix	trans	-96	-29.1	-168	-76.4	-18	0	0	0	116.7	N39 L40	N39-N43 WeakPolarHBondContact O-CB 3.15Å; N39-N43 PolarHBondContact O-N 2.85Å; L40-N43 PolarHBondContact O-N 3.38Å
44	Q	37	Very low	40.3	Very low	54 Å²	54	112.4 Å²	112.4	25%	0.252	55%	0.549	S	S	.	.			trans	-147.2	62.5	-166.7	-73.6	-176.8	-36.1	0	0	116.6	L40 E60	L40-Q44 PolarHBondContact O-N 3.41Å; Q44-E60 VanDerWaalsContact CB-O 3.29Å; Q44-E60 WeakPolarHBondContact CB-O 3.38Å; Q44-E60 PolarHBondContact OE1-O 3.45Å
45	V	38.3	Very low	41	Very low	94 Å²	94	107.9 Å²	107.9	57%	0.57	53%	0.529	S	S	*	.			trans	-125.5	68.9	161.1	-169.6	0	0	0	0	110.1	C47	V45-C47 HydrophobicContact CG1-CB 3.92Å; V45-C47 WeakPolarHBondContact CG1-SG 3.36Å; V45-C47 PolarHBondContact O-N 2.74Å
46	I	36.5	Very low	41.7	Very low	143 Å²	143	106.9 Å²	106.9	73%	0.733	53%	0.525	S	S	*	.			trans	-78.1	71	162.9	-54	179.4	0	0	0	107.5	M48	I46-M48 HydrophobicContact CG2-CG 4.3Å; I46-M48 PolarHBondContact O-N 3.36Å; I46-M48 VanDerWaalsContact O-N 3.1Å
47	C	30.6	Very low	42.8	Very low	58 Å²	58	106 Å²	106	39%	0.392	52%	0.518	S	S	.	.			trans	-76.4	87.6	174.6	-87.7	0	0	0	0	109.9	V45 K49	V45-C47 HydrophobicContact CG1-CB 3.92Å; V45-C47 WeakPolarHBondContact CG1-SG 3.36Å; V45-C47 PolarHBondContact O-N 2.74Å; C47-K49 PolarHBondContact O-N 3.28Å
48	M	31.3	Very low	43.7	Very low	119 Å²	119	105.1 Å²	105.1	59%	0.586	51%	0.513	S	S	*	.			trans	-72.7	93.1	169.3	-71.9	-173	62.4	0	0	110.7	I46 R50	I46-M48 HydrophobicContact CG2-CG 4.3Å; I46-M48 PolarHBondContact O-N 3.36Å; I46-M48 VanDerWaalsContact O-N 3.1Å; M48-R50 PolarHBondContact O-N 3.46Å
49	K	36.8	Very low	44.5	Very low	171 Å²	171	102 Å²	102	74%	0.743	50%	0.499	S	S	*	.			trans	-70	103.3	169.6	-171	179.8	-176.2	179.1	0	109.1	C47 V55	C47-K49 PolarHBondContact O-N 3.28Å; K49-V55 HydrophobicContact CB-CG1 4.48Å; K49-V55 HydrophobicContact CG-CG1 4.04Å
50	R	34.5	Very low	45.2	Very low	168 Å²	168	101.4 Å²	101.4	63%	0.634	49%	0.494	S	S	*	.			trans	-91	161.6	167.4	-83.6	-173	170.9	-180	-2.1	112	M48	M48-R50 PolarHBondContact O-N 3.46Å
51	S	40.3	Very low	45.9	Very low	91 Å²	91	99.4 Å²	99.4	64%	0.636	48%	0.483	S	S	*	.			trans	-28.2	168.3	-167.3	57.8	0	0	0	0	121.4	E53 S54	S51-E53 VanDerWaalsContact C-N 3.27Å; S51-E53 PolarHBondContact O-N 3.26Å; S51-S54 VanDerWaalsContact O-O 3.12Å
52	K	52	Low	46.3	Very low	216 Å²	216	93.9 Å²	93.9	94%	0.939	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.3	-163.9	-71.8	-177.1	177.1	178.5	0	117.2
53	E	51.8	Low	46.7	Very low	163 Å²	163	89 Å²	89	76%	0.762	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-32.1	-172.6	-66.4	176.7	175.7	0	0	113.8	S51	S51-E53 VanDerWaalsContact C-N 3.27Å; S51-E53 PolarHBondContact O-N 3.26Å
54	S	54.9	Low	47.5	Very low	43 Å²	43	87.4 Å²	87.4	30%	0.301	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	132.3	178.6	61.6	0	0	0	0	109.9	S51 C75	S51-S54 VanDerWaalsContact O-O 3.12Å; S54-C75 WeakPolarHBondContact CA-O 3.43Å
55	V	61.7	Low	48.3	Very low	25 Å²	25	96 Å²	96	15%	0.152	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.7	177.5	-160.6	0	0	0	0	109.3	K49 Y57 C75	K49-V55 HydrophobicContact CB-CG1 4.48Å; K49-V55 HydrophobicContact CG-CG1 4.04Å; V55-Y57 HydrophobicContact CB-CD2 4.45Å; V55-Y57 HydrophobicContact CB-CE1 4.48Å; V55-Y57 HydrophobicContact CB-CE2 3.61Å; V55-Y57 HydrophobicContact CG1-CD1 4.19Å; V55-Y57 HydrophobicContact CG1-CD2 4.19Å; V55-Y57 HydrophobicContact CG1-CE1 3.5Å; V55-Y57 VanDerWaalsContact CG1-CE1 3.5Å; V55-Y57 HydrophobicContact CG1-CE2 3.5Å; V55-Y57 VanDerWaalsContact CG1-OH 3.24Å; V55-Y57 WeakPolarHBondContact CG1-OH 3.37Å; V55-C75 PolarHBondContact N-O 2.98Å; V55-C75 PolarHBondContact O-N 3.35Å
56	Q	60.9	Low	49	Very low	94 Å²	94	97.7 Å²	97.7	44%	0.439	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.1	172.2	-69.5	-179.5	3.3	0	0	108.8	C73 H74	Q56-C73 WeakPolarHBondContact CA-O 3.38Å; Q56-H74 VanDerWaalsContact CG-CD2 3.45Å; Q56-H74 WeakPolarHBondContact CG-CD2 3.44Å
57	Y	64.6	Low	49.8	Very low	41 Å²	41	96.9 Å²	96.9	16%	0.161	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.7	176.5	-54.4	-83.1	0	0	0	108	V55 R72 C73 C75	V55-Y57 HydrophobicContact CB-CD2 4.45Å; V55-Y57 HydrophobicContact CB-CE1 4.48Å; V55-Y57 HydrophobicContact CB-CE2 3.61Å; V55-Y57 HydrophobicContact CG1-CD1 4.19Å; V55-Y57 HydrophobicContact CG1-CD2 4.19Å; V55-Y57 HydrophobicContact CG1-CE1 3.5Å; V55-Y57 VanDerWaalsContact CG1-CE1 3.5Å; V55-Y57 HydrophobicContact CG1-CE2 3.5Å; V55-Y57 VanDerWaalsContact CG1-OH 3.24Å; V55-Y57 WeakPolarHBondContact CG1-OH 3.37Å; Y57-R72 CarbonylContact O-C 3.59Å; Y57-R72 WeakPolarHBondContact O-CA 3.35Å; Y57-C73 PolarHBondContact N-O 3.27Å; Y57-C73 PolarHBondContact O-N 3.41Å; Y57-C75 HydrophobicContact CE2-CB 4.37Å
58	I	60	Low	51.1	Low	57 Å²	57	96.5 Å²	96.5	29%	0.292	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.7	171	-60.7	173.8	0	0	0	106.3	E60 R72	I58-E60 HydrophobicContact CG2-CG 3.98Å; I58-R72 HydrophobicContact CG1-CB 4.14Å; I58-R72 HydrophobicContact CG1-CG 3.92Å
59	I	59.7	Low	52.5	Low	25 Å²	25	93.4 Å²	93.4	13%	0.128	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.8	170	-62.5	-172.8	0	0	0	106.5	R70 L71 L113 V117	I59-R70 CarbonylContact O-C 3.57Å; I59-R70 WeakPolarHBondContact O-CA 3.36Å; I59-L71 PolarHBondContact N-O 3.47Å; I59-L71 PolarHBondContact O-N 2.75Å; I59-L113 HydrophobicContact CB-CD2 4.49Å; I59-L113 HydrophobicContact CD1-CD2 3.35Å; I59-L113 HydrophobicContact CD1-CG 3.72Å; I59-L113 HydrophobicContact CG1-CD2 3.68Å; I59-L113 HydrophobicContact CG1-CG 4.35Å; I59-V117 HydrophobicContact CG2-CG2 4.48Å
60	E	53.9	Low	53.9	Low	68 Å²	68	90.6 Å²	90.6	32%	0.318	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.9	171.6	-53.8	-157.5	172.1	0	0	106.9	Q44 I58 T68 R70	Q44-E60 VanDerWaalsContact CB-O 3.29Å; Q44-E60 WeakPolarHBondContact CB-O 3.38Å; Q44-E60 PolarHBondContact OE1-O 3.45Å; I58-E60 HydrophobicContact CG2-CG 3.98Å; E60-T68 HydrophobicContact CB-CG2 3.71Å; E60-R70 HydrophobicContact CB-CG 4.27Å; E60-R70 HydrophobicContact CG-CB 4.49Å; E60-R70 HydrophobicContact CG-CG 3.91Å; E60-R70 IonicContact OE1-CZ 3.28Å; E60-R70 VanDerWaalsContact OE1-CZ 3.28Å; E60-R70 IonicContact OE1-NE 3.92Å; E60-R70 PolarHBondContact OE1-NE 3.41Å; E60-R70 IonicContact OE1-NH2 3.31Å; E60-R70 PolarHBondContact OE1-NH2 3.44Å; E60-R70 IonicContact OE2-CZ 3.33Å; E60-R70 IonicContact OE2-NE 3.81Å; E60-R70 PolarHBondContact OE2-NE 3.43Å; E60-R70 IonicContact OE2-NH2 2.88Å; E60-R70 PolarHBondContact OE2-NH2 2.89Å
61	M	49.6	Very low	55.3	Low	6 Å²	6	83 Å²	83	3%	0.03	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	117.6	-177.8	175.7	179	42.2	0	0	110	L40 I63 T68 F69 V117	L40-M61 HydrophobicContact CD2-CG 4.39Å; M61-I63 HydrophobicContact CE-CD1 3.87Å; M61-I63 HydrophobicContact CE-CG1 4.06Å; M61-I63 HydrophobicContact CG-CG1 3.98Å; M61-I63 HydrophobicContact SD-CD1 4.43Å; M61-I63 HydrophobicContact SD-CG1 4.05Å; M61-T68 CarbonylContact O-C 3.45Å; M61-T68 VanDerWaalsContact O-CA 3.31Å; M61-T68 WeakPolarHBondContact O-CA 3.37Å; M61-F69 HydrophobicContact CE-CD1 4.28Å; M61-F69 PolarHBondContact N-O 3.33Å; M61-F69 PolarHBondContact O-N 3.32Å; M61-V117 HydrophobicContact CE-CB 4.14Å; M61-V117 HydrophobicContact CE-CG1 3.44Å; M61-V117 VanDerWaalsContact CE-CG1 3.44Å; M61-V117 HydrophobicContact CE-CG2 4.39Å; M61-V117 HydrophobicContact SD-CG1 3.38Å; M61-V117 WeakPolarHBondContact SD-CG1 3.45Å
62	E	46.7	Very low	56.8	Low	96 Å²	96	82.2 Å²	82.2	45%	0.449	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	126.9	166	-162.3	-180	116.4	0	0	109.7	R65 K66	E62-R65 WeakPolarHBondContact OE1-CA 3.46Å; E62-K66 WeakPolarHBondContact CG-O 3.38Å
63	I	46.7	Very low	57.7	Low	11 Å²	11	72 Å²	72	6%	0.056	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.3	179.6	-57	178.3	0	0	0	107.9	M61 R65 K66 F69 K121 L124	M61-I63 HydrophobicContact CE-CD1 3.87Å; M61-I63 HydrophobicContact CE-CG1 4.06Å; M61-I63 HydrophobicContact CG-CG1 3.98Å; M61-I63 HydrophobicContact SD-CD1 4.43Å; M61-I63 HydrophobicContact SD-CG1 4.05Å; I63-R65 PolarHBondContact O-N 2.98Å; I63-R65 VanDerWaalsContact O-N 3.14Å; I63-K66 WeakPolarHBondContact O-CA 3.31Å; I63-K66 WeakPolarHBondContact O-CB 3.29Å; I63-K66 PolarHBondContact O-N 3.35Å; I63-F69 HydrophobicContact CD1-CB 4.36Å; I63-K121 HydrophobicContact CG2-CG 4.36Å; I63-L124 HydrophobicContact CD1-CD1 3.56Å
64	D	49.5	Very low	58.7	Low	92 Å²	92	66.4 Å²	66.4	49%	0.492	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	38.7	174.5	-56.2	-32.8	0	0	0	114.6	K66	D64-K66 PolarHBondContact O-N 2.96Å; D64-K66 VanDerWaalsContact O-N 3.12Å
65	R	53.6	Low	59.4	Low	235 Å²	235	64.8 Å²	64.8	89%	0.887	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	15.7	-175.1	-52.8	179.1	-178.9	174.4	-1.7	114.5	E62 I63	E62-R65 WeakPolarHBondContact OE1-CA 3.46Å; I63-R65 PolarHBondContact O-N 2.98Å; I63-R65 VanDerWaalsContact O-N 3.14Å
66	K	52.7	Low	59.9	Low	129 Å²	129	65.9 Å²	65.9	56%	0.561	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	161.7	171.2	-61.8	-175.1	177	178.8	0	109.7	E62 I63 D64 T68	E62-K66 WeakPolarHBondContact CG-O 3.38Å; I63-K66 WeakPolarHBondContact O-CA 3.31Å; I63-K66 WeakPolarHBondContact O-CB 3.29Å; I63-K66 PolarHBondContact O-N 3.35Å; D64-K66 PolarHBondContact O-N 2.96Å; D64-K66 VanDerWaalsContact O-N 3.12Å; K66-T68 PolarHBondContact O-N 3.14Å
67	P	54.4	Low	60.2	Low	126 Å²	126	66 Å²	66	82%	0.818	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-46.7	132.7	-179.1	13.5	-30.9	0	0	0	113.4	F69	P67-F69 PolarHBondContact O-N 3.15Å
68	T	58.4	Low	60.4	Low	51 Å²	51	65.9 Å²	65.9	31%	0.313	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	119.8	-177.3	-52.9	0	0	0	0	111.7	E60 M61 K66 R70	E60-T68 HydrophobicContact CB-CG2 3.71Å; M61-T68 CarbonylContact O-C 3.45Å; M61-T68 VanDerWaalsContact O-CA 3.31Å; M61-T68 WeakPolarHBondContact O-CA 3.37Å; K66-T68 PolarHBondContact O-N 3.14Å; T68-R70 HydrophobicContact CG2-CG 4.39Å
69	F	60.4	Low	60.6	Low	54 Å²	54	73.2 Å²	73.2	24%	0.237	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	125.8	168.3	-177	-111.7	0	0	0	109.3	M61 I63 P67 L71 V90	M61-F69 HydrophobicContact CE-CD1 4.28Å; M61-F69 PolarHBondContact N-O 3.33Å; M61-F69 PolarHBondContact O-N 3.32Å; I63-F69 HydrophobicContact CD1-CB 4.36Å; P67-F69 PolarHBondContact O-N 3.15Å; F69-L71 HydrophobicContact CD1-CD1 4.16Å; F69-L71 HydrophobicContact CD1-CG 4.02Å; F69-L71 HydrophobicContact CE1-CD1 3.56Å; F69-L71 HydrophobicContact CE1-CD2 3.8Å; F69-L71 HydrophobicContact CE1-CG 3.36Å; F69-L71 HydrophobicContact CZ-CD2 4.03Å; F69-L71 HydrophobicContact CZ-CG 4.04Å; F69-V90 HydrophobicContact CE2-CB 4.44Å; F69-V90 HydrophobicContact CE2-CG1 4.26Å; F69-V90 HydrophobicContact CZ-CB 4.3Å; F69-V90 HydrophobicContact CZ-CG1 3.66Å
70	R	64.8	Low	60.9	Low	111 Å²	111	79.1 Å²	79.1	42%	0.419	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137	179.1	-53.1	-178.7	163.2	167.7	-15.6	109.9	I59 E60 T68 P91 W96	I59-R70 CarbonylContact O-C 3.57Å; I59-R70 WeakPolarHBondContact O-CA 3.36Å; E60-R70 HydrophobicContact CB-CG 4.27Å; E60-R70 HydrophobicContact CG-CB 4.49Å; E60-R70 HydrophobicContact CG-CG 3.91Å; E60-R70 IonicContact OE1-CZ 3.28Å; E60-R70 VanDerWaalsContact OE1-CZ 3.28Å; E60-R70 IonicContact OE1-NE 3.92Å; E60-R70 PolarHBondContact OE1-NE 3.41Å; E60-R70 IonicContact OE1-NH2 3.31Å; E60-R70 PolarHBondContact OE1-NH2 3.44Å; E60-R70 IonicContact OE2-CZ 3.33Å; E60-R70 IonicContact OE2-NE 3.81Å; E60-R70 PolarHBondContact OE2-NE 3.43Å; E60-R70 IonicContact OE2-NH2 2.88Å; E60-R70 PolarHBondContact OE2-NH2 2.89Å; T68-R70 HydrophobicContact CG2-CG 4.39Å; R70-P91 HydrophobicContact CB-CG 4.2Å; R70-P91 WeakPolarHBondContact O-CD 3.42Å; R70-W96 HydrophobicContact CB-CH2 3.48Å; R70-W96 VanDerWaalsContact CB-CH2 3.48Å; R70-W96 HydrophobicContact CB-CZ2 4.21Å; R70-W96 HydrophobicContact CB-CZ3 4.32Å
71	L	65.7	Low	61.3	Low	8 Å²	8	81.8 Å²	81.8	4%	0.042	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.6	170.5	-82.3	165.2	0	0	0	108.6	I59 F69 V90 L113 V117	I59-L71 PolarHBondContact N-O 3.47Å; I59-L71 PolarHBondContact O-N 2.75Å; F69-L71 HydrophobicContact CD1-CD1 4.16Å; F69-L71 HydrophobicContact CD1-CG 4.02Å; F69-L71 HydrophobicContact CE1-CD1 3.56Å; F69-L71 HydrophobicContact CE1-CD2 3.8Å; F69-L71 HydrophobicContact CE1-CG 3.36Å; F69-L71 HydrophobicContact CZ-CD2 4.03Å; F69-L71 HydrophobicContact CZ-CG 4.04Å; L71-V90 HydrophobicContact CD2-CG1 3.54Å; L71-L113 HydrophobicContact CB-CD1 3.91Å; L71-L113 HydrophobicContact CD1-CD1 4.45Å; L71-V117 HydrophobicContact CD1-CG2 3.46Å; L71-V117 VanDerWaalsContact CD1-CG2 3.46Å
72	R	71.6	Confident	62.3	Low	76 Å²	76	86 Å²	86	29%	0.287	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.6	175.1	176.9	-178.4	-63.5	-173.6	-4.7	109.1	Y57 I58 F88 F89 W96	Y57-R72 CarbonylContact O-C 3.59Å; Y57-R72 WeakPolarHBondContact O-CA 3.35Å; I58-R72 HydrophobicContact CG1-CB 4.14Å; I58-R72 HydrophobicContact CG1-CG 3.92Å; R72-F88 CarbonylContact O-C 3.6Å; R72-F88 WeakPolarHBondContact O-CA 3.42Å; R72-F89 HydrophobicContact CB-CB 4.25Å; R72-F89 HydrophobicContact CG-CD2 4.48Å; R72-F89 PolarHBondContact N-O 3.03Å; R72-F89 PolarHBondContact O-N 3.42Å; R72-W96 HydrophobicContact CB-CD2 4.28Å; R72-W96 HydrophobicContact CB-CE3 3.84Å; R72-W96 HydrophobicContact CB-CH2 3.82Å; R72-W96 HydrophobicContact CB-CZ2 4.33Å; R72-W96 HydrophobicContact CB-CZ3 3.58Å; R72-W96 VanDerWaalsContact CZ-NE1 3.25Å
73	C	70	Confident	63.4	Low	1 Å²	1	86.2 Å²	86.2	1%	0.007	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.8	172.3	-168.1	0	0	0	0	109.4	Q56 Y57 C75 Y87 F88 L113	Q56-C73 WeakPolarHBondContact CA-O 3.38Å; Y57-C73 PolarHBondContact N-O 3.27Å; Y57-C73 PolarHBondContact O-N 3.41Å; C73-C75 PolarHBondContact SG-SG 3.34Å; C73-Y87 CarbonylContact C-O 3.53Å; C73-Y87 VanDerWaalsContact CA-O 3.24Å; C73-Y87 WeakPolarHBondContact CA-O 3.47Å; C73-F88 HydrophobicContact CB-CD1 4.16Å; C73-F88 HydrophobicContact CB-CE1 4.27Å; C73-F88 WeakPolarHBondContact SG-CE1 3.39Å; C73-L113 HydrophobicContact CB-CD1 4.19Å; C73-L113 HydrophobicContact CB-CD2 3.96Å
74	H	73.1	Confident	64.7	Low	46 Å²	46	86.8 Å²	86.8	21%	0.213	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.4	169.7	-178.2	-133.5	0	0	0	109	Q56 T76 C86 Y87 F89	Q56-H74 VanDerWaalsContact CG-CD2 3.45Å; Q56-H74 WeakPolarHBondContact CG-CD2 3.44Å; H74-T76 PolarHBondContact CE1-OG1 2.94Å; H74-C86 CarbonylContact O-C 3.57Å; H74-C86 WeakPolarHBondContact O-CA 3.21Å; H74-Y87 PolarHBondContact N-O 2.94Å; H74-Y87 PolarHBondContact O-N 3.14Å; H74-F89 HydrophobicContact CB-CE2 4.17Å
75	C	70.6	Confident	65.8	Low	8 Å²	8	83.3 Å²	83.3	5%	0.054	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.1	-176	-52.2	0	0	0	0	109	S54 V55 Y57 C73 T84 L85 C86	S54-C75 WeakPolarHBondContact CA-O 3.43Å; V55-C75 PolarHBondContact N-O 2.98Å; V55-C75 PolarHBondContact O-N 3.35Å; Y57-C75 HydrophobicContact CE2-CB 4.37Å; C73-C75 PolarHBondContact SG-SG 3.34Å; C75-T84 HydrophobicContact CB-CG2 3.72Å; C75-L85 CarbonylContact C-O 3.49Å; C75-L85 WeakPolarHBondContact CA-O 3.49Å; C75-C86 PolarHBondContact SG-SG 3.42Å
76	T	70.4	Confident	67	Low	48 Å²	48	72.1 Å²	72.1	29%	0.294	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.5	175.2	-50.1	0	0	0	0	108.6	H74 V78 L85	H74-T76 PolarHBondContact CE1-OG1 2.94Å; T76-V78 PolarHBondContact O-N 3.48Å; T76-L85 PolarHBondContact N-O 3.11Å; T76-L85 PolarHBondContact O-N 3.41Å
77	N	68.4	Low	68.1	Low	98 Å²	98	68.6 Å²	68.6	52%	0.524	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	125.4	174.7	-167	2.8	0	0	0	109.3	Y79	N77-Y79 PolarHBondContact O-N 3.06Å
78	V	68.9	Low	69.1	Low	37 Å²	37	62.7 Å²	62.7	22%	0.224	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	93.7	174.2	-173.3	0	0	0	0	106.9	T76 N80 K81 K83 L85	T76-V78 PolarHBondContact O-N 3.48Å; V78-N80 PolarHBondContact O-N 3.31Å; V78-K81 HydrophobicContact CB-CB 4.2Å; V78-K81 HydrophobicContact CG1-CB 3.94Å; V78-K81 HydrophobicContact CG1-CD 4.03Å; V78-K81 HydrophobicContact CG1-CG 3.83Å; V78-K81 PolarHBondContact O-N 3.49Å; V78-K83 WeakPolarHBondContact CB-O 3.31Å; V78-K83 PolarHBondContact N-O 3.47Å; V78-K83 VanDerWaalsContact N-O 3.17Å; V78-L85 HydrophobicContact CG2-CB 3.59Å
79	Y	63.5	Low	69.7	Low	211 Å²	211	62.3 Å²	62.3	83%	0.827	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-44.1	-42.8	-172.2	-170.4	-104.7	0	0	0	113.2	N77	N77-Y79 PolarHBondContact O-N 3.06Å
80	N	66.3	Low	70.3	Confident	149 Å²	149	61.2 Å²	61.2	80%	0.797	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-85.6	-4.4	-176.6	-67	-11.6	0	0	0	115.8	V78	V78-N80 PolarHBondContact O-N 3.31Å
81	K	62.7	Low	70.3	Confident	125 Å²	125	58.5 Å²	58.5	54%	0.543	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-114.1	1.2	-172.9	-67.5	-167.3	179.8	-177.9	0	114.8	V78 K83	V78-K81 HydrophobicContact CB-CB 4.2Å; V78-K81 HydrophobicContact CG1-CB 3.94Å; V78-K81 HydrophobicContact CG1-CD 4.03Å; V78-K81 HydrophobicContact CG1-CG 3.83Å; V78-K81 PolarHBondContact O-N 3.49Å; K81-K83 HydrophobicContact CB-CB 4.35Å; K81-K83 VanDerWaalsContact O-CG 3.3Å; K81-K83 WeakPolarHBondContact O-CG 3.21Å; K81-K83 PolarHBondContact O-N 3.44Å
82	A	69.4	Low	70.2	Confident	93 Å²	93	64.4 Å²	64.4	77%	0.769	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	28.7	-172.1	0	0	0	0	0	113
83	K	71.2	Confident	70.3	Confident	102 Å²	102	68.1 Å²	68.1	44%	0.443	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.6	-174.1	-72.9	177.5	-171	-178.5	0	108.1	V78 K81 H103	V78-K83 WeakPolarHBondContact CB-O 3.31Å; V78-K83 PolarHBondContact N-O 3.47Å; V78-K83 VanDerWaalsContact N-O 3.17Å; K81-K83 HydrophobicContact CB-CB 4.35Å; K81-K83 VanDerWaalsContact O-CG 3.3Å; K81-K83 WeakPolarHBondContact O-CG 3.21Å; K81-K83 PolarHBondContact O-N 3.44Å; K83-H103 HydrophobicContact CB-CB 4.23Å; K83-H103 HydrophobicContact CD-CB 4.03Å
84	T	72.3	Confident	70.3	Confident	22 Å²	22	73.3 Å²	73.3	14%	0.135	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	129.1	172.7	-48.9	0	0	0	0	108.8	C75 H103 L104	C75-T84 HydrophobicContact CB-CG2 3.72Å; T84-H103 CarbonylContact O-C 3.58Å; T84-H103 WeakPolarHBondContact O-CA 3.1Å; T84-L104 WeakPolarHBondContact CA-O 3.04Å; T84-L104 PolarHBondContact N-O 3.4Å; T84-L104 PolarHBondContact O-N 3.02Å
85	L	74.1	Confident	70.2	Confident	20 Å²	20	78.5 Å²	78.5	11%	0.105	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.5	172.9	178.3	62.1	0	0	0	109.5	C75 T76 V78 Y87 K101	C75-L85 CarbonylContact C-O 3.49Å; C75-L85 WeakPolarHBondContact CA-O 3.49Å; T76-L85 PolarHBondContact N-O 3.11Å; T76-L85 PolarHBondContact O-N 3.41Å; V78-L85 HydrophobicContact CG2-CB 3.59Å; L85-Y87 HydrophobicContact CD2-CE2 3.57Å; L85-Y87 VanDerWaalsContact CD2-OH 3.25Å; L85-Y87 WeakPolarHBondContact CD2-OH 3.49Å; L85-Y87 HydrophobicContact CG-CD2 4.29Å; L85-Y87 HydrophobicContact CG-CE2 3.62Å; L85-K101 HydrophobicContact CD1-CD 4.21Å; L85-K101 VanDerWaalsContact CD1-CE 3.42Å; L85-K101 HydrophobicContact CD1-CG 3.73Å
86	C	78.6	Confident	70.2	Confident	0 Å²	0	81.6 Å²	81.6	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	121	-172.3	-67.2	0	0	0	0	111.5	H74 C75 F88 K101 Q102 L104 C109	H74-C86 CarbonylContact O-C 3.57Å; H74-C86 WeakPolarHBondContact O-CA 3.21Å; C75-C86 PolarHBondContact SG-SG 3.42Å; C86-F88 HydrophobicContact CB-CE2 3.93Å; C86-F88 HydrophobicContact CB-CZ 4.11Å; C86-K101 CarbonylContact O-C 3.58Å; C86-K101 WeakPolarHBondContact O-CA 3.29Å; C86-Q102 PolarHBondContact N-O 3.19Å; C86-Q102 PolarHBondContact O-N 3.14Å; C86-L104 HydrophobicContact CB-CD1 4.44Å; C86-C109 HydrophobicContact CB-CB 3.85Å; C86-C109 WeakPolarHBondContact CB-SG 3.49Å; C86-C109 WeakPolarHBondContact SG-CB 3.24Å; C86-C109 CovalentContact SG-SG 2Å; C86-C109 PolarHBondContact SG-SG 3.11Å
87	Y	75.7	Confident	70.1	Confident	55 Å²	55	83.2 Å²	83.2	22%	0.216	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.5	177.3	-62.8	-91.7	0	0	0	109.2	C73 H74 L85 F89 L98 K101	C73-Y87 CarbonylContact C-O 3.53Å; C73-Y87 VanDerWaalsContact CA-O 3.24Å; C73-Y87 WeakPolarHBondContact CA-O 3.47Å; H74-Y87 PolarHBondContact N-O 2.94Å; H74-Y87 PolarHBondContact O-N 3.14Å; L85-Y87 HydrophobicContact CD2-CE2 3.57Å; L85-Y87 VanDerWaalsContact CD2-OH 3.25Å; L85-Y87 WeakPolarHBondContact CD2-OH 3.49Å; L85-Y87 HydrophobicContact CG-CD2 4.29Å; L85-Y87 HydrophobicContact CG-CE2 3.62Å; Y87-F89 VanDerWaalsContact CB-CE2 3.46Å; Y87-L98 HydrophobicContact CD1-CD1 3.81Å; Y87-L98 HydrophobicContact CD1-CD2 4.3Å; Y87-L98 HydrophobicContact CG-CD1 4.38Å; Y87-K101 HydrophobicContact CD1-CB 4.06Å; Y87-K101 HydrophobicContact CD1-CD 4.08Å; Y87-K101 HydrophobicContact CD1-CG 3.82Å; Y87-K101 HydrophobicContact CE1-CB 4.27Å; Y87-K101 HydrophobicContact CE1-CD 3.42Å; Y87-K101 VanDerWaalsContact CE1-CD 3.42Å; Y87-K101 HydrophobicContact CE1-CG 3.64Å; Y87-K101 VanDerWaalsContact OH-CE 3.25Å; Y87-K101 WeakPolarHBondContact OH-CE 3.25Å; Y87-K101 PolarHBondContact OH-NZ 3.31Å; Y87-K101 VanDerWaalsContact OH-NZ 3.11Å
88	F	75.2	Confident	70.5	Confident	1 Å²	1	83 Å²	83	0%	0.004	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.4	-178.9	-58.9	-93.4	0	0	0	109.5	R72 C73 C86 A99 S100 L104 K112 L113 K116	R72-F88 CarbonylContact O-C 3.6Å; R72-F88 WeakPolarHBondContact O-CA 3.42Å; C73-F88 HydrophobicContact CB-CD1 4.16Å; C73-F88 HydrophobicContact CB-CE1 4.27Å; C73-F88 WeakPolarHBondContact SG-CE1 3.39Å; C86-F88 HydrophobicContact CB-CE2 3.93Å; C86-F88 HydrophobicContact CB-CZ 4.11Å; F88-A99 PolarHBondContact O-N 3Å; F88-S100 VanDerWaalsContact CD2-OG 3.25Å; F88-S100 WeakPolarHBondContact CD2-OG 3.42Å; F88-S100 PolarHBondContact N-O 2.88Å; F88-S100 PolarHBondContact O-N 3.1Å; F88-L104 HydrophobicContact CZ-CD1 4.25Å; F88-K112 HydrophobicContact CE1-CB 4.5Å; F88-K112 HydrophobicContact CE2-CG 4.5Å; F88-K112 HydrophobicContact CZ-CB 4.02Å; F88-K112 HydrophobicContact CZ-CG 4Å; F88-L113 HydrophobicContact CD1-CD1 3.78Å; F88-L113 HydrophobicContact CE1-CB 4.02Å; F88-L113 HydrophobicContact CE1-CD1 4.03Å; F88-K116 HydrophobicContact CD1-CD 4.46Å
89	F	71.2	Confident	70.7	Confident	44 Å²	44	83.9 Å²	83.9	19%	0.193	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.5	-176.3	-55.3	-99.2	0	0	0	111.3	R72 H74 Y87 W96 L97 L98	R72-F89 HydrophobicContact CB-CB 4.25Å; R72-F89 HydrophobicContact CG-CD2 4.48Å; R72-F89 PolarHBondContact N-O 3.03Å; R72-F89 PolarHBondContact O-N 3.42Å; H74-F89 HydrophobicContact CB-CE2 4.17Å; Y87-F89 VanDerWaalsContact CB-CE2 3.46Å; F89-W96 HydrophobicContact CB-CB 4.18Å; F89-W96 HydrophobicContact CB-CD2 4.47Å; F89-W96 HydrophobicContact CB-CE3 3.73Å; F89-W96 HydrophobicContact CB-CZ3 4.5Å; F89-W96 HydrophobicContact CD1-CB 4.43Å; F89-L97 CarbonylContact C-O 3.53Å; F89-L97 WeakPolarHBondContact CA-O 2.88Å; F89-L97 WeakPolarHBondContact CB-O 3.43Å; F89-L98 HydrophobicContact CD1-CB 4.08Å; F89-L98 HydrophobicContact CD1-CD1 4.27Å; F89-L98 HydrophobicContact CE1-CB 3.9Å; F89-L98 HydrophobicContact CE1-CD1 3.87Å; F89-L98 HydrophobicContact CE1-CG 4.48Å; F89-L98 HydrophobicContact CE2-CD1 4.38Å; F89-L98 HydrophobicContact CZ-CD1 3.94Å
90	V	71.7	Confident	71.3	Confident	31 Å²	31	75 Å²	75	19%	0.188	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.9	173.2	-65.3	0	0	0	0	109.5	F69 L71 L97 A99	F69-V90 HydrophobicContact CE2-CB 4.44Å; F69-V90 HydrophobicContact CE2-CG1 4.26Å; F69-V90 HydrophobicContact CZ-CB 4.3Å; F69-V90 HydrophobicContact CZ-CG1 3.66Å; L71-V90 HydrophobicContact CD2-CG1 3.54Å; V90-L97 PolarHBondContact N-O 3.01Å; V90-L97 PolarHBondContact O-N 2.95Å; V90-A99 HydrophobicContact CG1-CB 4.01Å; V90-A99 HydrophobicContact CG2-CB 4.2Å
91	P	65.1	Low	71.9	Confident	53 Å²	53	73.3 Å²	73.3	34%	0.344	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133.6	173.2	31.4	-35	0	0	0	109.5	R70 K95 W96	R70-P91 HydrophobicContact CB-CG 4.2Å; R70-P91 WeakPolarHBondContact O-CD 3.42Å; P91-K95 WeakPolarHBondContact CA-O 3.41Å; P91-W96 HydrophobicContact CB-CZ3 4.43Å; P91-W96 HydrophobicContact CG-CZ3 4.41Å
92	Y	65.2	Low	72.7	Confident	132 Å²	132	70.4 Å²	70.4	52%	0.518	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	125.5	171.6	-177.5	-91.9	0	0	0	108.1	A94 K95 L97	Y92-A94 VanDerWaalsContact C-N 3.33Å; Y92-A94 PolarHBondContact O-N 3.08Å; Y92-K95 PolarHBondContact N-O 3.26Å; Y92-K95 PolarHBondContact O-N 3.38Å; Y92-K95 VanDerWaalsContact O-O 3.05Å; Y92-L97 HydrophobicContact CD1-CD1 3.68Å; Y92-L97 HydrophobicContact CG-CD1 3.78Å
93	E	73.4	Confident	73.2	Confident	154 Å²	154	70 Å²	70	72%	0.72	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	52.8	-179.5	-67.7	176.6	-165.2	0	0	113.5	K95	E93-K95 PolarHBondContact O-N 2.83Å
94	A	69.5	Low	73.3	Confident	110 Å²	110	66.8 Å²	66.8	91%	0.909	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	5.2	-177.4	0	0	0	0	0	116.4	Y92	Y92-A94 VanDerWaalsContact C-N 3.33Å; Y92-A94 PolarHBondContact O-N 3.08Å
95	K	69.9	Low	73.1	Confident	155 Å²	155	73.6 Å²	73.6	67%	0.674	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	151.6	175.3	-64.5	179.3	-176	174.1	0	111.1	P91 Y92 E93	P91-K95 WeakPolarHBondContact CA-O 3.41Å; Y92-K95 PolarHBondContact N-O 3.26Å; Y92-K95 PolarHBondContact O-N 3.38Å; Y92-K95 VanDerWaalsContact O-O 3.05Å; E93-K95 PolarHBondContact O-N 2.83Å
96	W	72.6	Confident	72.4	Confident	74 Å²	74	75.2 Å²	75.2	28%	0.28	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	108.2	172.2	-75.6	98.1	0	0	0	109.6	R70 R72 F89 P91	R70-W96 HydrophobicContact CB-CH2 3.48Å; R70-W96 VanDerWaalsContact CB-CH2 3.48Å; R70-W96 HydrophobicContact CB-CZ2 4.21Å; R70-W96 HydrophobicContact CB-CZ3 4.32Å; R72-W96 HydrophobicContact CB-CD2 4.28Å; R72-W96 HydrophobicContact CB-CE3 3.84Å; R72-W96 HydrophobicContact CB-CH2 3.82Å; R72-W96 HydrophobicContact CB-CZ2 4.33Å; R72-W96 HydrophobicContact CB-CZ3 3.58Å; R72-W96 VanDerWaalsContact CZ-NE1 3.25Å; F89-W96 HydrophobicContact CB-CB 4.18Å; F89-W96 HydrophobicContact CB-CD2 4.47Å; F89-W96 HydrophobicContact CB-CE3 3.73Å; F89-W96 HydrophobicContact CB-CZ3 4.5Å; F89-W96 HydrophobicContact CD1-CB 4.43Å; P91-W96 HydrophobicContact CB-CZ3 4.43Å; P91-W96 HydrophobicContact CG-CZ3 4.41Å
97	L	67.8	Low	71.8	Confident	82 Å²	82	81.6 Å²	81.6	43%	0.429	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.5	179.3	-61.5	-175	0	0	0	110.9	F89 V90 Y92 A99	F89-L97 CarbonylContact C-O 3.53Å; F89-L97 WeakPolarHBondContact CA-O 2.88Å; F89-L97 WeakPolarHBondContact CB-O 3.43Å; V90-L97 PolarHBondContact N-O 3.01Å; V90-L97 PolarHBondContact O-N 2.95Å; Y92-L97 HydrophobicContact CD1-CD1 3.68Å; Y92-L97 HydrophobicContact CG-CD1 3.78Å; L97-A99 PolarHBondContact O-N 2.95Å; L97-A99 VanDerWaalsContact O-N 3.16Å
98	L	76.4	Confident	71.4	Confident	92 Å²	92	80.2 Å²	80.2	48%	0.482	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	111.2	177.1	-179.6	65.7	0	0	0	109.8	Y87 F89 S100	Y87-L98 HydrophobicContact CD1-CD1 3.81Å; Y87-L98 HydrophobicContact CD1-CD2 4.3Å; Y87-L98 HydrophobicContact CG-CD1 4.38Å; F89-L98 HydrophobicContact CD1-CB 4.08Å; F89-L98 HydrophobicContact CD1-CD1 4.27Å; F89-L98 HydrophobicContact CE1-CB 3.9Å; F89-L98 HydrophobicContact CE1-CD1 3.87Å; F89-L98 HydrophobicContact CE1-CG 4.48Å; F89-L98 HydrophobicContact CE2-CD1 4.38Å; F89-L98 HydrophobicContact CZ-CD1 3.94Å; L98-S100 WeakPolarHBondContact CD1-O 3.31Å
99	A	73.4	Confident	70.9	Confident	56 Å²	56	80.3 Å²	80.3	46%	0.463	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-28.3	178.2	0	0	0	0	0	112.7	F88 V90 L97	F88-A99 PolarHBondContact O-N 3Å; V90-A99 HydrophobicContact CG1-CB 4.01Å; V90-A99 HydrophobicContact CG2-CB 4.2Å; L97-A99 PolarHBondContact O-N 2.95Å; L97-A99 VanDerWaalsContact O-N 3.16Å
100	S	75.9	Confident	70.6	Confident	25 Å²	25	80.1 Å²	80.1	18%	0.175	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	160.6	173.8	66.3	0	0	0	0	113	F88 L98 K116	F88-S100 VanDerWaalsContact CD2-OG 3.25Å; F88-S100 WeakPolarHBondContact CD2-OG 3.42Å; F88-S100 PolarHBondContact N-O 2.88Å; F88-S100 PolarHBondContact O-N 3.1Å; L98-S100 WeakPolarHBondContact CD1-O 3.31Å; S100-K116 PolarHBondContact OG-NZ 2.75Å
101	K	78.7	Confident	70.4	Confident	113 Å²	113	83.7 Å²	83.7	49%	0.491	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.3	174.2	178.3	-173.5	-176.9	168.9	0	110.4	L85 C86 Y87	L85-K101 HydrophobicContact CD1-CD 4.21Å; L85-K101 VanDerWaalsContact CD1-CE 3.42Å; L85-K101 HydrophobicContact CD1-CG 3.73Å; C86-K101 CarbonylContact O-C 3.58Å; C86-K101 WeakPolarHBondContact O-CA 3.29Å; Y87-K101 HydrophobicContact CD1-CB 4.06Å; Y87-K101 HydrophobicContact CD1-CD 4.08Å; Y87-K101 HydrophobicContact CD1-CG 3.82Å; Y87-K101 HydrophobicContact CE1-CB 4.27Å; Y87-K101 HydrophobicContact CE1-CD 3.42Å; Y87-K101 VanDerWaalsContact CE1-CD 3.42Å; Y87-K101 HydrophobicContact CE1-CG 3.64Å; Y87-K101 VanDerWaalsContact OH-CE 3.25Å; Y87-K101 WeakPolarHBondContact OH-CE 3.25Å; Y87-K101 PolarHBondContact OH-NZ 3.31Å; Y87-K101 VanDerWaalsContact OH-NZ 3.11Å
102	Q	80.4	Confident	70.5	Confident	65 Å²	65	84.7 Å²	84.7	30%	0.304	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	151.3	-179.4	-62.6	-171	-17.9	0	0	112.4	C86 L104	C86-Q102 PolarHBondContact N-O 3.19Å; C86-Q102 PolarHBondContact O-N 3.14Å; Q102-L104 HydrophobicContact CB-CD1 4.32Å; Q102-L104 HydrophobicContact CB-CD2 4.38Å; Q102-L104 HydrophobicContact CB-CG 4.11Å
103	H	79.2	Confident	70.4	Confident	83 Å²	83	78.6 Å²	78.6	38%	0.384	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.8	168.2	-66.7	89.6	0	0	0	109.1	K83 T84	K83-H103 HydrophobicContact CB-CB 4.23Å; K83-H103 HydrophobicContact CD-CB 4.03Å; T84-H103 CarbonylContact O-C 3.58Å; T84-H103 WeakPolarHBondContact O-CA 3.1Å
104	L	72.4	Confident	70	Confident	36 Å²	36	76 Å²	76	19%	0.188	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	156.2	-175.6	-58.6	170.6	0	0	0	109.7	T84 C86 F88 Q102 C109 K112	T84-L104 WeakPolarHBondContact CA-O 3.04Å; T84-L104 PolarHBondContact N-O 3.4Å; T84-L104 PolarHBondContact O-N 3.02Å; C86-L104 HydrophobicContact CB-CD1 4.44Å; F88-L104 HydrophobicContact CZ-CD1 4.25Å; Q102-L104 HydrophobicContact CB-CD1 4.32Å; Q102-L104 HydrophobicContact CB-CD2 4.38Å; Q102-L104 HydrophobicContact CB-CG 4.11Å; L104-C109 HydrophobicContact CD1-CB 4.27Å; L104-K112 HydrophobicContact CD1-CB 3.85Å; L104-K112 HydrophobicContact CD1-CG 4.26Å
105	K	68.9	Low	69.9	Low	165 Å²	165	73.7 Å²	73.7	72%	0.717	38%	0.382	S	S	*	.			trans	-71	158.4	168.8	-66.9	-178	176.5	-176.8	0	109.5	D107 G108	K105-D107 PolarHBondContact O-N 2.95Å; K105-G108 VanDerWaalsContact O-CA 3.31Å; K105-G108 WeakPolarHBondContact O-CA 3.5Å; K105-G108 PolarHBondContact O-N 3.43Å
106	G	60.1	Low	69.6	Low	53 Å²	53	68.8 Å²	68.8	55%	0.546	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-33.1	-66.2	-167.9	0	0	0	0	0	116.1	G108	G106-G108 VanDerWaalsContact C-N 3.28Å; G106-G108 PolarHBondContact O-N 3.49Å
107	D	66.2	Low	69.1	Low	135 Å²	135	66.3 Å²	66.3	72%	0.722	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-12	-178.3	-61.2	-36.7	0	0	0	114.4	K105 C109 V110 Q111	K105-D107 PolarHBondContact O-N 2.95Å; D107-C109 PolarHBondContact O-N 3.28Å; D107-V110 PolarHBondContact O-N 2.87Å; D107-Q111 PolarHBondContact O-N 3.31Å; D107-Q111 VanDerWaalsContact O-N 3.11Å
108	G	66.5	Low	68.7	Low	26 Å²	26	67.2 Å²	67.2	27%	0.268	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-30	-179.4	0	0	0	0	0	113	K105 G106 K112	K105-G108 VanDerWaalsContact O-CA 3.31Å; K105-G108 WeakPolarHBondContact O-CA 3.5Å; K105-G108 PolarHBondContact O-N 3.43Å; G106-G108 VanDerWaalsContact C-N 3.28Å; G106-G108 PolarHBondContact O-N 3.49Å; G108-K112 VanDerWaalsContact O-CB 3.29Å; G108-K112 WeakPolarHBondContact O-CB 3.41Å; G108-K112 PolarHBondContact O-N 2.98Å
109	C	64.6	Low	67.8	Low	3 Å²	3	66 Å²	66	2%	0.02	35%	0.353	C	S	.	.	H	α-helix	trans	-68.6	-42.2	177.6	-58.5	0	0	0	0	112.4	C86 L104 D107 K112 L113	C86-C109 HydrophobicContact CB-CB 3.85Å; C86-C109 WeakPolarHBondContact CB-SG 3.49Å; C86-C109 WeakPolarHBondContact SG-CB 3.24Å; C86-C109 CovalentContact SG-SG 2Å; C86-C109 PolarHBondContact SG-SG 3.11Å; L104-C109 HydrophobicContact CD1-CB 4.27Å; D107-C109 PolarHBondContact O-N 3.28Å; C109-K112 PolarHBondContact O-N 3.25Å; C109-L113 WeakPolarHBondContact O-CB 3.24Å; C109-L113 PolarHBondContact O-N 2.8Å
110	V	65.7	Low	67.1	Low	40 Å²	40	70 Å²	70	24%	0.242	36%	0.356	C	S	.	.	H	α-helix	trans	-65.1	-44.6	175.8	177.7	0	0	0	0	110.1	D107 K112 L113 K114	D107-V110 PolarHBondContact O-N 2.87Å; V110-K112 PolarHBondContact O-N 3.23Å; V110-L113 WeakPolarHBondContact O-CB 3.15Å; V110-L113 PolarHBondContact O-N 2.83Å; V110-K114 WeakPolarHBondContact O-CG 3.48Å; V110-K114 PolarHBondContact O-N 3.24Å
111	Q	66.7	Low	66	Low	106 Å²	106	70.7 Å²	70.7	50%	0.495	36%	0.356	S	S	.	.	H	α-helix	trans	-62.5	-43.4	177	-66.3	-62.8	-12.3	0	0	111.9	D107 L113 K114 T115	D107-Q111 PolarHBondContact O-N 3.31Å; D107-Q111 VanDerWaalsContact O-N 3.11Å; Q111-L113 VanDerWaalsContact C-N 3.31Å; Q111-L113 PolarHBondContact O-N 2.74Å; Q111-K114 WeakPolarHBondContact O-CB 3.43Å; Q111-K114 PolarHBondContact O-N 3.17Å; Q111-T115 PolarHBondContact O-N 3.37Å; Q111-T115 PolarHBondContact O-OG1 2.82Å; Q111-T115 VanDerWaalsContact O-OG1 3.14Å
112	K	66.9	Low	64.7	Low	74 Å²	74	68.5 Å²	68.5	32%	0.322	36%	0.355	S	S	.	.	H	α-helix	trans	-64	-37.9	177.1	-169.1	65.8	173.4	-175.5	0	112.2	F88 L104 G108 C109 V110 T115 K116	F88-K112 HydrophobicContact CE1-CB 4.5Å; F88-K112 HydrophobicContact CE2-CG 4.5Å; F88-K112 HydrophobicContact CZ-CB 4.02Å; F88-K112 HydrophobicContact CZ-CG 4Å; L104-K112 HydrophobicContact CD1-CB 3.85Å; L104-K112 HydrophobicContact CD1-CG 4.26Å; G108-K112 VanDerWaalsContact O-CB 3.29Å; G108-K112 WeakPolarHBondContact O-CB 3.41Å; G108-K112 PolarHBondContact O-N 2.98Å; C109-K112 PolarHBondContact O-N 3.25Å; V110-K112 PolarHBondContact O-N 3.23Å; K112-T115 PolarHBondContact O-N 3.19Å; K112-K116 WeakPolarHBondContact O-CG 3.37Å; K112-K116 PolarHBondContact O-N 3.49Å
113	L	64	Low	63.5	Low	4 Å²	4	73.5 Å²	73.5	2%	0.021	37%	0.37	C	S	.	.	H	α-helix	trans	-59.7	-47.5	174.3	-169.2	62.5	0	0	0	110.3	I59 L71 C73 F88 C109 V110 Q111 K116 V117	I59-L113 HydrophobicContact CB-CD2 4.49Å; I59-L113 HydrophobicContact CD1-CD2 3.35Å; I59-L113 HydrophobicContact CD1-CG 3.72Å; I59-L113 HydrophobicContact CG1-CD2 3.68Å; I59-L113 HydrophobicContact CG1-CG 4.35Å; L71-L113 HydrophobicContact CB-CD1 3.91Å; L71-L113 HydrophobicContact CD1-CD1 4.45Å; C73-L113 HydrophobicContact CB-CD1 4.19Å; C73-L113 HydrophobicContact CB-CD2 3.96Å; F88-L113 HydrophobicContact CD1-CD1 3.78Å; F88-L113 HydrophobicContact CE1-CB 4.02Å; F88-L113 HydrophobicContact CE1-CD1 4.03Å; C109-L113 WeakPolarHBondContact O-CB 3.24Å; C109-L113 PolarHBondContact O-N 2.8Å; V110-L113 WeakPolarHBondContact O-CB 3.15Å; V110-L113 PolarHBondContact O-N 2.83Å; Q111-L113 VanDerWaalsContact C-N 3.31Å; Q111-L113 PolarHBondContact O-N 2.74Å; L113-K116 PolarHBondContact O-N 3.04Å; L113-V117 WeakPolarHBondContact O-CG2 3.34Å; L113-V117 PolarHBondContact O-N 2.97Å; L113-V117 VanDerWaalsContact O-N 3.08Å
114	K	64.1	Low	62	Low	98 Å²	98	74 Å²	74	43%	0.426	38%	0.376	S	S	.	.	H	α-helix	trans	-58.2	-48	174.7	-69.1	177	178.3	-177.9	0	112.7	V110 Q111 K116 V117 E118	V110-K114 WeakPolarHBondContact O-CG 3.48Å; V110-K114 PolarHBondContact O-N 3.24Å; Q111-K114 WeakPolarHBondContact O-CB 3.43Å; Q111-K114 PolarHBondContact O-N 3.17Å; K114-K116 VanDerWaalsContact C-N 3.35Å; K114-K116 PolarHBondContact O-N 2.76Å; K114-V117 VanDerWaalsContact O-CB 3.31Å; K114-V117 WeakPolarHBondContact O-CB 3.41Å; K114-V117 PolarHBondContact O-N 2.9Å; K114-E118 WeakPolarHBondContact O-CG 3.35Å; K114-E118 PolarHBondContact O-N 2.87Å
115	T	67.8	Low	61.1	Low	62 Å²	62	75.2 Å²	75.2	38%	0.38	39%	0.387	S	S	.	.	H	α-helix	trans	-63.2	-39.1	178.5	-49.6	0	0	0	0	112.5	Q111 K112 V117 E118 V119	Q111-T115 PolarHBondContact O-N 3.37Å; Q111-T115 PolarHBondContact O-OG1 2.82Å; Q111-T115 VanDerWaalsContact O-OG1 3.14Å; K112-T115 PolarHBondContact O-N 3.19Å; T115-V117 VanDerWaalsContact C-N 3.33Å; T115-V117 PolarHBondContact O-N 2.64Å; T115-E118 PolarHBondContact O-N 2Å; T115-V119 HydrophobicContact CG2-CG2 4.38Å; T115-V119 WeakPolarHBondContact O-CG2 3.36Å; T115-V119 PolarHBondContact O-N 2.86Å
116	K	64.1	Low	60.2	Low	52 Å²	52	73 Å²	73	23%	0.226	39%	0.387	C	S	.	.	H	α-helix	trans	-64.9	-39.1	177.8	-78.5	-169.9	176.1	-143.7	0	112.4	F88 S100 K112 L113 K114 R120	F88-K116 HydrophobicContact CD1-CD 4.46Å; S100-K116 PolarHBondContact OG-NZ 2.75Å; K112-K116 WeakPolarHBondContact O-CG 3.37Å; K112-K116 PolarHBondContact O-N 3.49Å; L113-K116 PolarHBondContact O-N 3.04Å; K114-K116 VanDerWaalsContact C-N 3.35Å; K114-K116 PolarHBondContact O-N 2.76Å; K116-R120 WeakPolarHBondContact O-CB 3.45Å; K116-R120 WeakPolarHBondContact O-CG 3.41Å; K116-R120 PolarHBondContact O-N 2.89Å; K116-R120 VanDerWaalsContact O-N 3.14Å
117	V	60.9	Low	59.1	Low	23 Å²	23	75.4 Å²	75.4	14%	0.139	40%	0.395	C	S	.	.	H	α-helix	trans	-57.3	-52.3	172.3	163.5	0	0	0	0	109.5	I59 M61 L71 L113 K114 T115 V119 R120 K121	I59-V117 HydrophobicContact CG2-CG2 4.48Å; M61-V117 HydrophobicContact CE-CB 4.14Å; M61-V117 HydrophobicContact CE-CG1 3.44Å; M61-V117 VanDerWaalsContact CE-CG1 3.44Å; M61-V117 HydrophobicContact CE-CG2 4.39Å; M61-V117 HydrophobicContact SD-CG1 3.38Å; M61-V117 WeakPolarHBondContact SD-CG1 3.45Å; L71-V117 HydrophobicContact CD1-CG2 3.46Å; L71-V117 VanDerWaalsContact CD1-CG2 3.46Å; L113-V117 WeakPolarHBondContact O-CG2 3.34Å; L113-V117 PolarHBondContact O-N 2.97Å; L113-V117 VanDerWaalsContact O-N 3.08Å; K114-V117 VanDerWaalsContact O-CB 3.31Å; K114-V117 WeakPolarHBondContact O-CB 3.41Å; K114-V117 PolarHBondContact O-N 2.9Å; T115-V117 VanDerWaalsContact C-N 3.33Å; T115-V117 PolarHBondContact O-N 2.64Å; V117-V119 PolarHBondContact O-N 2.84Å; V117-R120 PolarHBondContact O-N 2.98Å; V117-K121 PolarHBondContact O-N 2.73Å; V117-K121 VanDerWaalsContact O-N 3.11Å
118	E	60.3	Low	57.7	Low	101 Å²	101	78.2 Å²	78.2	47%	0.472	41%	0.409	S	S	.	.	H	α-helix	trans	-61.4	-44.3	-179.2	-71	168.8	178.8	0	0	113.6	K114 T115 K121 S122	K114-E118 WeakPolarHBondContact O-CG 3.35Å; K114-E118 PolarHBondContact O-N 2.87Å; T115-E118 PolarHBondContact O-N 2Å; E118-K121 PolarHBondContact O-N 2.87Å; E118-S122 PolarHBondContact O-N 2.77Å; E118-S122 PolarHBondContact O-OG 2.94Å
119	V	57.7	Low	57.3	Low	66 Å²	66	80.8 Å²	80.8	40%	0.4	42%	0.416	S	S	.	.	H	α-helix	trans	-65.9	-43.5	179.9	171.3	0	0	0	0	111.3	T115 V117 K121 S122 R123	T115-V119 HydrophobicContact CG2-CG2 4.38Å; T115-V119 WeakPolarHBondContact O-CG2 3.36Å; T115-V119 PolarHBondContact O-N 2.86Å; V117-V119 PolarHBondContact O-N 2.84Å; V119-K121 VanDerWaalsContact C-N 3.32Å; V119-K121 PolarHBondContact O-N 2.81Å; V119-S122 PolarHBondContact O-N 3.16Å; V119-R123 WeakPolarHBondContact O-CG 3.4Å; V119-R123 PolarHBondContact O-N 3.43Å
120	R	58.1	Low	56.9	Low	141 Å²	141	84.9 Å²	84.9	53%	0.532	44%	0.437	S	S	.	.	H	α-helix	trans	-62.9	-40.9	178.3	-80.5	-72.2	-173.2	170.7	1.5	111.2	K116 V117 R123 L124	K116-R120 WeakPolarHBondContact O-CB 3.45Å; K116-R120 WeakPolarHBondContact O-CG 3.41Å; K116-R120 PolarHBondContact O-N 2.89Å; K116-R120 VanDerWaalsContact O-N 3.14Å; V117-R120 PolarHBondContact O-N 2.98Å; R120-R123 PolarHBondContact O-N 3.02Å; R120-L124 WeakPolarHBondContact O-CG 3.25Å; R120-L124 PolarHBondContact O-N 3.17Å; R120-L124 VanDerWaalsContact O-N 3.15Å
121	K	52.6	Low	56.4	Low	39 Å²	39	87.4 Å²	87.4	17%	0.17	45%	0.448	C	S	.	.	H	α-helix	trans	-60.3	-48.4	173.9	-172.7	-177.7	-176.8	177.7	0	112.2	I63 V117 E118 V119 R123 L124 S125	I63-K121 HydrophobicContact CG2-CG 4.36Å; V117-K121 PolarHBondContact O-N 2.73Å; V117-K121 VanDerWaalsContact O-N 3.11Å; E118-K121 PolarHBondContact O-N 2.87Å; V119-K121 VanDerWaalsContact C-N 3.32Å; V119-K121 PolarHBondContact O-N 2.81Å; K121-R123 VanDerWaalsContact C-N 3.31Å; K121-R123 PolarHBondContact O-N 2.91Å; K121-L124 PolarHBondContact O-N 2.86Å; K121-L124 VanDerWaalsContact O-N 3.14Å; K121-S125 PolarHBondContact O-N 3.26Å; K121-S125 PolarHBondContact O-OG 2.91Å
122	S	51.9	Low	55.8	Low	67 Å²	67	86.3 Å²	86.3	47%	0.469	45%	0.445	S	S	.	.	H	α-helix	trans	-58	-43.6	179.6	-56.3	0	0	0	0	111.8	E118 V119 L124 S125 V126	E118-S122 PolarHBondContact O-N 2.77Å; E118-S122 PolarHBondContact O-OG 2.94Å; V119-S122 PolarHBondContact O-N 3.16Å; S122-L124 PolarHBondContact O-N 3.37Å; S122-S125 WeakPolarHBondContact CA-OG 3.25Å; S122-S125 PolarHBondContact O-N 2.87Å; S122-S125 PolarHBondContact O-OG 2.82Å; S122-V126 WeakPolarHBondContact O-CG2 3.3Å; S122-V126 PolarHBondContact O-N 2.82Å
123	R	54.4	Low	55.1	Low	169 Å²	169	87.1 Å²	87.1	64%	0.638	45%	0.453	S	S	*	.	H	α-helix	trans	-62.7	-41	176.9	-70.9	-179.5	-178.2	-163.9	-1.1	112.7	V119 R120 K121 S125 V126 S127	V119-R123 WeakPolarHBondContact O-CG 3.4Å; V119-R123 PolarHBondContact O-N 3.43Å; R120-R123 PolarHBondContact O-N 3.02Å; K121-R123 VanDerWaalsContact C-N 3.31Å; K121-R123 PolarHBondContact O-N 2.91Å; R123-S125 VanDerWaalsContact C-N 3.34Å; R123-V126 PolarHBondContact O-N 3.03Å; R123-S127 PolarHBondContact O-OG 2.93Å
124	L	49.4	Very low	54.6	Low	95 Å²	95	92.6 Å²	92.6	50%	0.497	48%	0.482	S	S	.	.	H	α-helix	trans	-68.4	-33.5	177.8	-69.9	168.1	0	0	0	112.3	I63 R120 K121 S122 V126 S127	I63-L124 HydrophobicContact CD1-CD1 3.56Å; R120-L124 WeakPolarHBondContact O-CG 3.25Å; R120-L124 PolarHBondContact O-N 3.17Å; R120-L124 VanDerWaalsContact O-N 3.15Å; K121-L124 PolarHBondContact O-N 2.86Å; K121-L124 VanDerWaalsContact O-N 3.14Å; S122-L124 PolarHBondContact O-N 3.37Å; L124-V126 VanDerWaalsContact C-N 3.31Å; L124-V126 PolarHBondContact O-N 3.11Å; L124-S127 PolarHBondContact O-N 3.45Å
125	S	53.5	Low	53.9	Low	61 Å²	61	92.2 Å²	92.2	43%	0.427	49%	0.486	S	S	.	.	H	α-helix	trans	-72.3	-20.7	177.3	63.4	0	0	0	0	114.5	K121 S122 R123 S127	K121-S125 PolarHBondContact O-N 3.26Å; K121-S125 PolarHBondContact O-OG 2.91Å; S122-S125 WeakPolarHBondContact CA-OG 3.25Å; S122-S125 PolarHBondContact O-N 2.87Å; S122-S125 PolarHBondContact O-OG 2.82Å; R123-S125 VanDerWaalsContact C-N 3.34Å; S125-S127 VanDerWaalsContact C-N 3.34Å
126	V	48.6	Very low	52.8	Low	118 Å²	118	94.5 Å²	94.5	72%	0.715	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-13.9	176.4	175.7	0	0	0	0	111.6	S122 R123 L124 L128	S122-V126 WeakPolarHBondContact O-CG2 3.3Å; S122-V126 PolarHBondContact O-N 2.82Å; R123-V126 PolarHBondContact O-N 3.03Å; L124-V126 VanDerWaalsContact C-N 3.31Å; L124-V126 PolarHBondContact O-N 3.11Å; V126-L128 PolarHBondContact O-N 3.36Å
127	S	37.1	Very low	51.9	Low	103 Å²	103	98.1 Å²	98.1	72%	0.72	52%	0.516	S	S	*	.			trans	-83.6	24.6	176.3	-56.9	0	0	0	0	113.9	R123 L124 S125	R123-S127 PolarHBondContact O-OG 2.93Å; L124-S127 PolarHBondContact O-N 3.45Å; S125-S127 VanDerWaalsContact C-N 3.34Å
128	L	38.1	Very low	51	Low	194 Å²	194	104.9 Å²	104.9	100%	1.016	55%	0.55	S	S	*	*			trans	-118.2	0	171.9	-85.3	161.6	0	0	0	109	V126	V126-L128 PolarHBondContact O-N 3.36Å

Retrieved 128 of 128 residues in 49.4 ms (Link to these results)

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