A0A077Z3N9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z3N9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 147 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	45.5	Very low	44.2	Very low	199 Å²	199	92 Å²	92	98%	0.98	52%	0.518	S	S	*	.				0	-50.9	0	-70.3	172.4	72.4	0	0	111.5	A5	M1-A5 PolarHBondContact O-N 3.47Å
2	V	43	Very low	44.3	Very low	103 Å²	103	87.5 Å²	87.5	62%	0.624	49%	0.488	S	S	*	.	H	α-helix	trans	-60.5	-43.9	177	178.7	0	0	0	0	112.5	Q4 A5 L6	V2-Q4 VanDerWaalsContact C-N 3.31Å; V2-Q4 PolarHBondContact O-N 2.91Å; V2-A5 PolarHBondContact O-N 3.28Å; V2-A5 VanDerWaalsContact O-N 3.14Å; V2-L6 HydrophobicContact CG1-CD1 3.92Å; V2-L6 HydrophobicContact CG1-CG 4.3Å; V2-L6 WeakPolarHBondContact O-CG 3.49Å; V2-L6 PolarHBondContact O-N 3.33Å
3	D	46.1	Very low	44.1	Very low	119 Å²	119	92.3 Å²	92.3	64%	0.636	49%	0.494	S	S	*	.	H	α-helix	trans	-60.6	-39.6	-175.8	-51.8	-44.8	0	0	0	112.7	L6 T7	D3-L6 WeakPolarHBondContact O-CB 3.14Å; D3-L6 PolarHBondContact O-N 2.89Å; D3-T7 PolarHBondContact O-N 2.91Å; D3-T7 PolarHBondContact O-OG1 3.39Å
4	Q	44.1	Very low	43.9	Very low	109 Å²	109	88.6 Å²	88.6	51%	0.509	48%	0.479	S	S	.	.	H	α-helix	trans	-71.4	-35.1	178.8	-67.7	-163.2	-10.2	0	0	112.8	V2 L6 T7 I8 K139	V2-Q4 VanDerWaalsContact C-N 3.31Å; V2-Q4 PolarHBondContact O-N 2.91Å; Q4-L6 VanDerWaalsContact C-N 3.32Å; Q4-T7 PolarHBondContact O-N 3.47Å; Q4-I8 WeakPolarHBondContact O-CG1 3.2Å; Q4-I8 PolarHBondContact O-N 3.23Å; Q4-K139 VanDerWaalsContact OE1-CE 3.3Å
5	A	35.5	Very low	44	Very low	40 Å²	40	89.9 Å²	89.9	33%	0.331	49%	0.492	S	S	.	.	H	α-helix	trans	-65	-39.7	173.3	0	0	0	0	0	110.8	M1 V2 S9 F140	M1-A5 PolarHBondContact O-N 3.47Å; V2-A5 PolarHBondContact O-N 3.28Å; V2-A5 VanDerWaalsContact O-N 3.14Å; A5-S9 VanDerWaalsContact O-CB 3.29Å; A5-S9 WeakPolarHBondContact O-CB 3.49Å; A5-S9 PolarHBondContact O-N 3.02Å; A5-F140 HydrophobicContact CB-CZ 3.93Å
6	L	43.2	Very low	44	Very low	107 Å²	107	89.2 Å²	89.2	56%	0.56	49%	0.491	S	S	*	.	H	α-helix	trans	-64.4	-43.2	173.7	-70.6	172.3	0	0	0	112	V2 D3 Q4 S9 S10	V2-L6 HydrophobicContact CG1-CD1 3.92Å; V2-L6 HydrophobicContact CG1-CG 4.3Å; V2-L6 WeakPolarHBondContact O-CG 3.49Å; V2-L6 PolarHBondContact O-N 3.33Å; D3-L6 WeakPolarHBondContact O-CB 3.14Å; D3-L6 PolarHBondContact O-N 2.89Å; Q4-L6 VanDerWaalsContact C-N 3.32Å; L6-S9 PolarHBondContact O-N 3.31Å; L6-S10 VanDerWaalsContact O-CB 3.3Å; L6-S10 WeakPolarHBondContact O-CB 3.3Å; L6-S10 PolarHBondContact O-N 3.14Å
7	T	43.8	Very low	44.1	Very low	77 Å²	77	87.7 Å²	87.7	47%	0.472	49%	0.485	S	S	.	.	H	α-helix	trans	-60.8	-46.1	176.8	-51.7	0	0	0	0	111.7	D3 Q4 S10 N11	D3-T7 PolarHBondContact O-N 2.91Å; D3-T7 PolarHBondContact O-OG1 3.39Å; Q4-T7 PolarHBondContact O-N 3.47Å; T7-S10 WeakPolarHBondContact O-CB 3.37Å; T7-S10 PolarHBondContact O-N 2.92Å; T7-N11 VanDerWaalsContact O-CG 3.32Å; T7-N11 PolarHBondContact O-N 2.8Å
8	I	45.7	Very low	44.1	Very low	42 Å²	42	89.4 Å²	89.4	22%	0.215	49%	0.493	C	S	.	.	H	α-helix	trans	-70.5	-37.9	-179.9	-56.9	163.9	0	0	0	110.8	Q4 S10 N11 F12 L136 K139	Q4-I8 WeakPolarHBondContact O-CG1 3.2Å; Q4-I8 PolarHBondContact O-N 3.23Å; I8-S10 VanDerWaalsContact C-N 3.26Å; I8-S10 PolarHBondContact O-N 3.4Å; I8-N11 PolarHBondContact O-N 3.39Å; I8-F12 WeakPolarHBondContact O-CB 3.35Å; I8-F12 PolarHBondContact O-N 2.84Å; I8-L136 HydrophobicContact CB-CD2 3.81Å; I8-L136 HydrophobicContact CD1-CD2 3.84Å; I8-L136 HydrophobicContact CG1-CD2 4.43Å; I8-L136 HydrophobicContact CG2-CD1 4.04Å; I8-L136 HydrophobicContact CG2-CD2 3.33Å; I8-L136 HydrophobicContact CG2-CG 3.68Å; I8-K139 HydrophobicContact CD1-CD 3.86Å
9	S	46.7	Very low	44	Very low	57 Å²	57	91.5 Å²	91.5	40%	0.399	50%	0.504	S	S	.	.	H	α-helix	trans	-60.3	-37	170.8	177.2	0	0	0	0	112.2	A5 L6 R13	A5-S9 VanDerWaalsContact O-CB 3.29Å; A5-S9 WeakPolarHBondContact O-CB 3.49Å; A5-S9 PolarHBondContact O-N 3.02Å; L6-S9 PolarHBondContact O-N 3.31Å; S9-R13 WeakPolarHBondContact O-CB 3.29Å; S9-R13 WeakPolarHBondContact O-CG 3.33Å; S9-R13 PolarHBondContact O-N 2.98Å
10	S	47.6	Very low	43.9	Very low	71 Å²	71	95.6 Å²	95.6	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-67.4	-42.1	175.6	-173.5	0	0	0	0	111.3	L6 T7 I8 R13 S14	L6-S10 VanDerWaalsContact O-CB 3.3Å; L6-S10 WeakPolarHBondContact O-CB 3.3Å; L6-S10 PolarHBondContact O-N 3.14Å; T7-S10 WeakPolarHBondContact O-CB 3.37Å; T7-S10 PolarHBondContact O-N 2.92Å; I8-S10 VanDerWaalsContact C-N 3.26Å; I8-S10 PolarHBondContact O-N 3.4Å; S10-R13 WeakPolarHBondContact O-CB 3.46Å; S10-R13 PolarHBondContact O-N 2.99Å; S10-S14 PolarHBondContact O-N 3.04Å
11	N	45	Very low	44.1	Very low	88 Å²	88	98.8 Å²	98.8	47%	0.471	53%	0.531	S	S	.	.	H	α-helix	trans	-64.1	-47.6	175.8	-68.7	-15.2	0	0	0	111	T7 I8 R13 S14 T15	T7-N11 VanDerWaalsContact O-CG 3.32Å; T7-N11 PolarHBondContact O-N 2.8Å; I8-N11 PolarHBondContact O-N 3.39Å; N11-R13 VanDerWaalsContact C-N 3.31Å; N11-R13 PolarHBondContact O-N 2.9Å; N11-S14 PolarHBondContact O-N 3.2Å; N11-S14 VanDerWaalsContact O-N 3.11Å; N11-S14 PolarHBondContact O-OG 3.38Å; N11-T15 PolarHBondContact O-N 2.9Å; N11-T15 PolarHBondContact O-OG1 3.23Å
12	F	45.1	Very low	43.9	Very low	38 Å²	38	98.2 Å²	98.2	17%	0.167	52%	0.523	C	S	.	.	H	α-helix	trans	-57.4	-44.9	174.2	-176.3	-97.5	0	0	0	111.6	I8 S14 T15 V16 A132 W133	I8-F12 WeakPolarHBondContact O-CB 3.35Å; I8-F12 PolarHBondContact O-N 2.84Å; F12-S14 PolarHBondContact O-N 2.93Å; F12-T15 PolarHBondContact O-N 2.75Å; F12-V16 HydrophobicContact CD1-CG2 4.32Å; F12-V16 HydrophobicContact CE1-CG2 3.9Å; F12-V16 HydrophobicContact CE2-CG2 4.41Å; F12-V16 HydrophobicContact CZ-CG2 3.95Å; F12-V16 WeakPolarHBondContact O-CG2 3.12Å; F12-V16 PolarHBondContact O-N 3.05Å; F12-A132 HydrophobicContact CD2-CB 4.46Å; F12-W133 AromaticContact CE2-CD1 3.93Å; F12-W133 AromaticContact CE2-NE1 3.51Å; F12-W133 AromaticContact CZ-NE1 3.52Å
13	R	42	Very low	44	Very low	150 Å²	150	94.8 Å²	94.8	57%	0.566	51%	0.506	S	S	*	.	H	α-helix	trans	-56.5	-50.5	173.5	-87.1	-177.6	179.1	-159.7	0.7	110.9	S9 S10 N11 T15 V16 T17	S9-R13 WeakPolarHBondContact O-CB 3.29Å; S9-R13 WeakPolarHBondContact O-CG 3.33Å; S9-R13 PolarHBondContact O-N 2.98Å; S10-R13 WeakPolarHBondContact O-CB 3.46Å; S10-R13 PolarHBondContact O-N 2.99Å; N11-R13 VanDerWaalsContact C-N 3.31Å; N11-R13 PolarHBondContact O-N 2.9Å; R13-T15 VanDerWaalsContact C-N 3.33Å; R13-T15 PolarHBondContact O-N 3.44Å; R13-V16 PolarHBondContact O-N 2.87Å; R13-T17 WeakPolarHBondContact O-CB 3.42Å; R13-T17 WeakPolarHBondContact O-CG2 3.39Å; R13-T17 PolarHBondContact O-N 3.39Å; R13-T17 PolarHBondContact O-OG1 3.2Å
14	S	41.3	Very low	43.8	Very low	40 Å²	40	93.3 Å²	93.3	28%	0.28	50%	0.502	S	S	.	.	H	α-helix	trans	-57.9	-44.5	-179.6	73.9	0	0	0	0	111.8	S10 N11 F12 V16 T17 N18	S10-S14 PolarHBondContact O-N 3.04Å; N11-S14 PolarHBondContact O-N 3.2Å; N11-S14 VanDerWaalsContact O-N 3.11Å; N11-S14 PolarHBondContact O-OG 3.38Å; F12-S14 PolarHBondContact O-N 2.93Å; S14-V16 VanDerWaalsContact C-N 3.34Å; S14-V16 PolarHBondContact O-N 3.41Å; S14-T17 PolarHBondContact O-N 2.91Å; S14-T17 VanDerWaalsContact O-N 3.16Å; S14-N18 WeakPolarHBondContact O-CB 3.34Å; S14-N18 PolarHBondContact O-N 3.22Å; S14-N18 PolarHBondContact O-ND2 3.47Å; S14-N18 VanDerWaalsContact O-ND2 3.08Å; S14-N18 PolarHBondContact O-OD1 3.17Å
15	T	46	Very low	43.6	Very low	109 Å²	109	94.5 Å²	94.5	67%	0.669	51%	0.506	S	S	*	.	H	α-helix	trans	-62.4	-39.3	178.3	-47.7	0	0	0	0	112.4	N11 F12 R13	N11-T15 PolarHBondContact O-N 2.9Å; N11-T15 PolarHBondContact O-OG1 3.23Å; F12-T15 PolarHBondContact O-N 2.75Å; R13-T15 VanDerWaalsContact C-N 3.33Å; R13-T15 PolarHBondContact O-N 3.44Å
16	V	44.1	Very low	43.9	Very low	78 Å²	78	100 Å²	100	47%	0.473	53%	0.53	S	S	.	.	H	α-helix	trans	-76	-28	176.8	177.7	0	0	0	0	112.2	F12 R13 S14 V31	F12-V16 HydrophobicContact CD1-CG2 4.32Å; F12-V16 HydrophobicContact CE1-CG2 3.9Å; F12-V16 HydrophobicContact CE2-CG2 4.41Å; F12-V16 HydrophobicContact CZ-CG2 3.95Å; F12-V16 WeakPolarHBondContact O-CG2 3.12Å; F12-V16 PolarHBondContact O-N 3.05Å; R13-V16 PolarHBondContact O-N 2.87Å; S14-V16 VanDerWaalsContact C-N 3.34Å; S14-V16 PolarHBondContact O-N 3.41Å; V16-V31 HydrophobicContact CG1-CG2 4.28Å
17	T	44.7	Very low	43.9	Very low	64 Å²	64	97 Å²	97	39%	0.393	52%	0.518	S	S	.	.	H	α-helix	trans	-102.9	-6.5	-171.7	58.5	0	0	0	0	115.8	R13 S14 D19	R13-T17 WeakPolarHBondContact O-CB 3.42Å; R13-T17 WeakPolarHBondContact O-CG2 3.39Å; R13-T17 PolarHBondContact O-N 3.39Å; R13-T17 PolarHBondContact O-OG1 3.2Å; S14-T17 PolarHBondContact O-N 2.91Å; S14-T17 VanDerWaalsContact O-N 3.16Å; T17-D19 PolarHBondContact O-N 2.88Å; T17-D19 VanDerWaalsContact O-N 3.11Å
18	N	44.4	Very low	43.9	Very low	118 Å²	118	97.5 Å²	97.5	63%	0.631	51%	0.511	S	S	*	.	S	Bend	trans	-74.2	0.1	-168.7	-85.3	-17.6	0	0	0	115.5	S14	S14-N18 WeakPolarHBondContact O-CB 3.34Å; S14-N18 PolarHBondContact O-N 3.22Å; S14-N18 PolarHBondContact O-ND2 3.47Å; S14-N18 VanDerWaalsContact O-ND2 3.08Å; S14-N18 PolarHBondContact O-OD1 3.17Å
19	D	42.2	Very low	44	Very low	130 Å²	130	98.2 Å²	98.2	70%	0.695	52%	0.518	S	S	*	.	S	Bend	trans	-143.8	115.7	169.7	-104.8	-33	0	0	0	113.7	T17	T17-D19 PolarHBondContact O-N 2.88Å; T17-D19 VanDerWaalsContact O-N 3.11Å
20	K	42.2	Very low	44.1	Very low	173 Å²	173	96.2 Å²	96.2	75%	0.752	51%	0.507	S	S	*	.	S	Bend	trans	89.7	106.6	150.2	-56.2	164.2	-168.5	176.4	0	116.6
21	I	47.4	Very low	44.2	Very low	162 Å²	162	95.7 Å²	95.7	83%	0.831	50%	0.5	S	S	*	.			trans	65.5	105.7	167	-52.1	173.8	0	0	0	113.1	A23	I21-A23 PolarHBondContact O-N 3.23Å
22	K	42.6	Very low	44.7	Very low	187 Å²	187	94.7 Å²	94.7	81%	0.813	50%	0.497	S	S	*	.			trans	-66.8	70	172.9	-164	178.8	-175.8	-179.5	0	109.4
23	A	44.3	Very low	45	Very low	32 Å²	32	94.1 Å²	94.1	26%	0.264	49%	0.494	S	S	.	.			trans	-57.3	134.1	168.3	0	0	0	0	0	107.6	I21 S27 R28	I21-A23 PolarHBondContact O-N 3.23Å; A23-S27 WeakPolarHBondContact CB-OG 3.4Å; A23-R28 PolarHBondContact O-NE 3.07Å
24	P	42.4	Very low	45.8	Very low	87 Å²	87	90.4 Å²	90.4	57%	0.565	48%	0.483	S	S	*	.			trans	-45	147.1	173.9	-26.4	29.3	0	0	0	111	D26 S27 R28	P24-D26 PolarHBondContact O-N 2.91Å; P24-S27 VanDerWaalsContact CD-OG 3.32Å; P24-S27 WeakPolarHBondContact CD-OG 3.36Å; P24-S27 PolarHBondContact O-N 3.4Å; P24-S27 PolarHBondContact O-OG 3.44Å; P24-R28 PolarHBondContact O-N 3.34Å
25	F	39.1	Very low	46.6	Very low	134 Å²	134	89.2 Å²	89.2	59%	0.588	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-51.4	-33.9	-177.5	-77.9	-81.2	0	0	0	112.7	S27 R28	F25-S27 PolarHBondContact O-N 3.07Å; F25-R28 PolarHBondContact O-N 3.48Å
26	D	42.5	Very low	47.5	Very low	157 Å²	157	91.7 Å²	91.7	84%	0.84	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-71.7	-13.5	179.7	-52.7	-41.3	0	0	0	114.4	P24	P24-D26 PolarHBondContact O-N 2.91Å
27	S	43.1	Very low	48	Very low	42 Å²	42	90.7 Å²	90.7	29%	0.294	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-111.8	1.3	-179.9	60.3	0	0	0	0	114.1	A23 P24 F25 P29 R108	A23-S27 WeakPolarHBondContact CB-OG 3.4Å; P24-S27 VanDerWaalsContact CD-OG 3.32Å; P24-S27 WeakPolarHBondContact CD-OG 3.36Å; P24-S27 PolarHBondContact O-N 3.4Å; P24-S27 PolarHBondContact O-OG 3.44Å; F25-S27 PolarHBondContact O-N 3.07Å; S27-P29 VanDerWaalsContact O-CD 3.25Å; S27-P29 WeakPolarHBondContact O-CD 3.48Å; S27-R108 PolarHBondContact O-NH1 3.39Å
28	R	43.9	Very low	48.7	Very low	89 Å²	89	89.3 Å²	89.3	34%	0.336	46%	0.462	S	S	.	.			trans	-71.7	112.5	174.9	-67	-178.6	-176.6	-158	-2.3	109.3	A23 P24 F25 G30	A23-R28 PolarHBondContact O-NE 3.07Å; P24-R28 PolarHBondContact O-N 3.34Å; F25-R28 PolarHBondContact O-N 3.48Å; R28-G30 PolarHBondContact O-N 3.34Å
29	P	46.7	Very low	49.6	Very low	56 Å²	56	86.5 Å²	86.5	36%	0.364	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-61.2	130.3	174.1	23.6	-26.9	0	0	0	108.6	S27 V31	S27-P29 VanDerWaalsContact O-CD 3.25Å; S27-P29 WeakPolarHBondContact O-CD 3.48Å; P29-V31 PolarHBondContact O-N 2.86Å
30	G	48.9	Very low	50.5	Low	15 Å²	15	88 Å²	88	16%	0.155	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-59.9	132.6	179.5	0	0	0	0	0	110.2	R28 V32	R28-G30 PolarHBondContact O-N 3.34Å; G30-V32 PolarHBondContact O-N 3.11Å
31	V	51.1	Low	51	Low	60 Å²	60	81.9 Å²	81.9	36%	0.364	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-73.7	123.4	168.8	-179.9	0	0	0	0	107.2	V16 P29 T47	V16-V31 HydrophobicContact CG1-CG2 4.28Å; P29-V31 PolarHBondContact O-N 2.86Å; V31-T47 PolarHBondContact O-N 2.85Å; V31-T47 PolarHBondContact O-OG1 2.82Å
32	V	54.1	Low	51.5	Low	67 Å²	67	77.4 Å²	77.4	41%	0.406	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	117.5	170.3	-177.6	0	0	0	0	108	G30 I44 R45 E46 A112	G30-V32 PolarHBondContact O-N 3.11Å; V32-I44 HydrophobicContact CG1-CG2 3.6Å; V32-R45 WeakPolarHBondContact CA-O 3.09Å; V32-E46 HydrophobicContact CG2-CB 4.06Å; V32-E46 HydrophobicContact CG2-CG 3.92Å; V32-A112 HydrophobicContact CG2-CB 4.3Å
33	Y	52.8	Low	51.8	Low	26 Å²	26	72.6 Å²	72.6	10%	0.102	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144.1	176.8	57	-93.1	0	0	0	110.2	I35 I44 R45 W133	Y33-I35 HydrophobicContact CD2-CD1 3.83Å; Y33-I35 HydrophobicContact CD2-CG1 3.75Å; Y33-I35 HydrophobicContact CE2-CD1 3.59Å; Y33-I35 HydrophobicContact CE2-CG1 4.02Å; Y33-I44 CarbonylContact O-C 3.6Å; Y33-I44 WeakPolarHBondContact O-CA 3.15Å; Y33-R45 WeakPolarHBondContact CD1-O 3.42Å; Y33-R45 HydrophobicContact CD2-CB 4.41Å; Y33-R45 HydrophobicContact CE1-CB 4.1Å; Y33-R45 HydrophobicContact CE2-CB 3.67Å; Y33-R45 PolarHBondContact N-O 2.95Å; Y33-R45 PolarHBondContact O-N 3.38Å; Y33-R45 WeakPolarHBondContact OH-CD 3.39Å; Y33-W133 AromaticContact CD1-NE1 3.98Å; Y33-W133 AromaticContact CD2-NE1 3.91Å; Y33-W133 HydrophobicContact CE1-CZ2 4.07Å; Y33-W133 HydrophobicContact CE2-CD2 4.3Å; Y33-W133 AromaticContact CE2-CE2 3.89Å; Y33-W133 HydrophobicContact CE2-CZ2 4.11Å; Y33-W133 AromaticContact CG-NE1 3.91Å; Y33-W133 AromaticContact CZ-CE2 3.84Å; Y33-W133 AromaticContact CZ-CZ2 3.65Å
34	E	57.4	Low	52.1	Low	72 Å²	72	76 Å²	76	34%	0.336	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.9	175.3	-179.5	-179.2	-178.4	0	0	108.9	K36 I44	E34-K36 HydrophobicContact CG-CG 4.48Å; E34-K36 VanDerWaalsContact OE1-CE 3.25Å; E34-K36 WeakPolarHBondContact OE1-CE 3.36Å; E34-I44 HydrophobicContact CB-CG1 4.01Å; E34-I44 HydrophobicContact CG-CG1 3.8Å
35	I	58.3	Low	52.6	Low	15 Å²	15	76.9 Å²	76.9	8%	0.077	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.2	175.6	-61.6	-175.5	0	0	0	107.9	Y33 Y37 S42 Y43 W133 I137	Y33-I35 HydrophobicContact CD2-CD1 3.83Å; Y33-I35 HydrophobicContact CD2-CG1 3.75Å; Y33-I35 HydrophobicContact CE2-CD1 3.59Å; Y33-I35 HydrophobicContact CE2-CG1 4.02Å; I35-Y37 HydrophobicContact CG2-CD2 4.42Å; I35-Y37 HydrophobicContact CG2-CE1 4.29Å; I35-Y37 HydrophobicContact CG2-CE2 3.97Å; I35-S42 CarbonylContact O-C 3.59Å; I35-S42 VanDerWaalsContact O-CA 3.31Å; I35-S42 WeakPolarHBondContact O-CA 3.49Å; I35-Y43 PolarHBondContact N-O 3.08Å; I35-Y43 PolarHBondContact O-N 2.69Å; I35-W133 HydrophobicContact CD1-CB 4.1Å; I35-W133 HydrophobicContact CD1-CD2 4Å; I35-W133 HydrophobicContact CD1-CE3 3.97Å; I35-W133 HydrophobicContact CD1-CG 4.07Å; I35-W133 HydrophobicContact CG1-CB 4.37Å; I35-I137 HydrophobicContact CB-CD1 4.37Å; I35-I137 HydrophobicContact CD1-CD1 3.97Å; I35-I137 HydrophobicContact CG1-CD1 4.49Å; I35-I137 HydrophobicContact CG2-CD1 3.12Å
36	K	65.1	Low	53.2	Low	162 Å²	162	72.5 Å²	72.5	70%	0.704	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.5	174.7	-63	-177.1	-178.7	-179.1	0	109.6	E34	E34-K36 HydrophobicContact CG-CG 4.48Å; E34-K36 VanDerWaalsContact OE1-CE 3.25Å; E34-K36 WeakPolarHBondContact OE1-CE 3.36Å
37	Y	55.3	Low	53.5	Low	56 Å²	56	68.3 Å²	68.3	22%	0.22	37%	0.368	C	S	.	.			trans	-99.7	154.8	174.2	-62.4	-83.9	0	0	0	109.9	I35 C39 N40 A41 I137 C143	I35-Y37 HydrophobicContact CG2-CD2 4.42Å; I35-Y37 HydrophobicContact CG2-CE1 4.29Å; I35-Y37 HydrophobicContact CG2-CE2 3.97Å; Y37-C39 PolarHBondContact O-N 2.87Å; Y37-N40 PolarHBondContact O-N 3.19Å; Y37-A41 HydrophobicContact CD2-CB 4.3Å; Y37-A41 WeakPolarHBondContact CD2-O 3.2Å; Y37-A41 PolarHBondContact N-O 3.39Å; Y37-I137 HydrophobicContact CE1-CD1 4.16Å; Y37-I137 HydrophobicContact CE1-CG2 4.41Å; Y37-C143 HydrophobicContact CD1-CB 3.78Å; Y37-C143 WeakPolarHBondContact CD1-SG 3.36Å; Y37-C143 HydrophobicContact CE1-CB 4.28Å; Y37-C143 WeakPolarHBondContact CE1-SG 3.47Å
38	G	60	Low	53.9	Low	35 Å²	35	67.9 Å²	67.9	36%	0.361	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.5	176.3	0	0	0	0	0	114.1	N40 L145	G38-N40 PolarHBondContact O-N 3.01Å; G38-N40 VanDerWaalsContact O-N 3.08Å; G38-L145 WeakPolarHBondContact CA-O 3.47Å; G38-L145 PolarHBondContact N-O 3.3Å
39	C	62.9	Low	54.1	Low	59 Å²	59	69.4 Å²	69.4	40%	0.399	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	15.4	173.6	60.8	0	0	0	0	114.5	Y37 A41 L145	Y37-C39 PolarHBondContact O-N 2.87Å; C39-A41 PolarHBondContact O-N 2.77Å; C39-A41 VanDerWaalsContact O-N 3.09Å; C39-A41 WeakPolarHBondContact SG-CB 3.37Å; C39-L145 HydrophobicContact CB-CB 4.24Å; C39-L145 HydrophobicContact CB-CD1 3.4Å; C39-L145 VanDerWaalsContact CB-CD1 3.4Å; C39-L145 HydrophobicContact CB-CD2 3.91Å; C39-L145 HydrophobicContact CB-CG 4.02Å; C39-L145 VanDerWaalsContact SG-CD1 3.54Å
40	N	60.2	Low	54.4	Low	162 Å²	162	70.8 Å²	70.8	87%	0.866	39%	0.388	S	S	*	.	S	Bend	trans	59.8	12	-171.7	-57.5	-47.7	0	0	0	114.5	Y37 G38	Y37-N40 PolarHBondContact O-N 3.19Å; G38-N40 PolarHBondContact O-N 3.01Å; G38-N40 VanDerWaalsContact O-N 3.08Å
41	A	53.1	Low	54.5	Low	45 Å²	45	72.6 Å²	72.6	37%	0.372	39%	0.394	S	S	.	.			trans	-80.7	132.8	167.2	0	0	0	0	0	109.2	Y37 C39	Y37-A41 HydrophobicContact CD2-CB 4.3Å; Y37-A41 WeakPolarHBondContact CD2-O 3.2Å; Y37-A41 PolarHBondContact N-O 3.39Å; C39-A41 PolarHBondContact O-N 2.77Å; C39-A41 VanDerWaalsContact O-N 3.09Å; C39-A41 WeakPolarHBondContact SG-CB 3.37Å
42	S	57.9	Low	54.4	Low	68 Å²	68	76.1 Å²	76.1	48%	0.476	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	142.5	163.3	62.8	0	0	0	0	109.3	I35	I35-S42 CarbonylContact O-C 3.59Å; I35-S42 VanDerWaalsContact O-CA 3.31Å; I35-S42 WeakPolarHBondContact O-CA 3.49Å
43	Y	49.1	Very low	54.4	Low	86 Å²	86	79.3 Å²	79.3	34%	0.337	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	103.7	-178.6	-172.6	-89.7	0	0	0	109	I35 R45	I35-Y43 PolarHBondContact N-O 3.08Å; I35-Y43 PolarHBondContact O-N 2.69Å; Y43-R45 HydrophobicContact CD1-CB 4.18Å; Y43-R45 HydrophobicContact CD1-CG 4.37Å; Y43-R45 HydrophobicContact CE1-CB 3.51Å; Y43-R45 VanDerWaalsContact CE1-CD 3.42Å; Y43-R45 HydrophobicContact CE1-CG 3.27Å; Y43-R45 WeakPolarHBondContact OH-CG 3.32Å; Y43-R45 PolarHBondContact OH-NE 3.35Å; Y43-R45 PolarHBondContact OH-NH2 2.92Å
44	I	51.2	Low	54.6	Low	104 Å²	104	83.7 Å²	83.7	53%	0.533	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	109.6	176.8	-58.3	173.2	0	0	0	106.5	V32 Y33 E34	V32-I44 HydrophobicContact CG1-CG2 3.6Å; Y33-I44 CarbonylContact O-C 3.6Å; Y33-I44 WeakPolarHBondContact O-CA 3.15Å; E34-I44 HydrophobicContact CB-CG1 4.01Å; E34-I44 HydrophobicContact CG-CG1 3.8Å
45	R	53.1	Low	54.2	Low	104 Å²	104	85.9 Å²	85.9	39%	0.392	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.7	170.2	-126.3	175.3	-120.5	-107.3	-3.9	108.3	V32 Y33 Y43	V32-R45 WeakPolarHBondContact CA-O 3.09Å; Y33-R45 WeakPolarHBondContact CD1-O 3.42Å; Y33-R45 HydrophobicContact CD2-CB 4.41Å; Y33-R45 HydrophobicContact CE1-CB 4.1Å; Y33-R45 HydrophobicContact CE2-CB 3.67Å; Y33-R45 PolarHBondContact N-O 2.95Å; Y33-R45 PolarHBondContact O-N 3.38Å; Y33-R45 WeakPolarHBondContact OH-CD 3.39Å; Y43-R45 HydrophobicContact CD1-CB 4.18Å; Y43-R45 HydrophobicContact CD1-CG 4.37Å; Y43-R45 HydrophobicContact CE1-CB 3.51Å; Y43-R45 VanDerWaalsContact CE1-CD 3.42Å; Y43-R45 HydrophobicContact CE1-CG 3.27Å; Y43-R45 WeakPolarHBondContact OH-CG 3.32Å; Y43-R45 PolarHBondContact OH-NE 3.35Å; Y43-R45 PolarHBondContact OH-NH2 2.92Å
46	E	50.9	Low	54.4	Low	42 Å²	42	86.6 Å²	86.6	20%	0.196	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	140.4	150.2	-168.6	177.7	178.1	0	0	107.8	V32 G48 L51	V32-E46 HydrophobicContact CG2-CB 4.06Å; V32-E46 HydrophobicContact CG2-CG 3.92Å; E46-G48 PolarHBondContact O-N 3.16Å; E46-L51 VanDerWaalsContact OE2-CB 3.3Å; E46-L51 WeakPolarHBondContact OE2-CB 3.43Å; E46-L51 WeakPolarHBondContact OE2-CD2 3.44Å
47	T	49.8	Very low	54.3	Low	70 Å²	70	82.2 Å²	82.2	43%	0.429	44%	0.439	S	S	.	.	S	Bend	trans	-60.8	101.4	172	-60.8	0	0	0	0	108.7	V31	V31-T47 PolarHBondContact O-N 2.85Å; V31-T47 PolarHBondContact O-OG1 2.82Å
48	G	51.4	Low	54.5	Low	33 Å²	33	81.1 Å²	81.1	34%	0.34	44%	0.435	S	S	.	.	S	Bend	trans	120	122.4	179.4	0	0	0	0	0	111.4	E46 I50	E46-G48 PolarHBondContact O-N 3.16Å; G48-I50 PolarHBondContact O-N 2.83Å
49	D	46.4	Very low	54.6	Low	120 Å²	120	83.5 Å²	83.5	64%	0.642	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	14.5	169.5	-150.4	13.9	0	0	0	113.2	H53	D49-H53 WeakPolarHBondContact O-CB 3.25Å
50	I	54.1	Low	55	Low	86 Å²	86	87 Å²	87	44%	0.441	45%	0.446	S	S	.	.	H	α-helix	trans	-85.6	-35.5	-164.4	-66.5	178.5	0	0	0	109.2	G48 R54	G48-I50 PolarHBondContact O-N 2.83Å; I50-R54 HydrophobicContact CG2-CG 4.11Å; I50-R54 WeakPolarHBondContact O-CB 3.46Å; I50-R54 WeakPolarHBondContact O-CG 3.38Å; I50-R54 PolarHBondContact O-N 3.3Å
51	L	50.1	Low	55.3	Low	52 Å²	52	80.1 Å²	80.1	27%	0.272	41%	0.41	S	S	.	.	H	α-helix	trans	-71.6	-50.9	-174.5	-172.7	69.7	0	0	0	112.4	E46 H53 R54 F55 A105 I109	E46-L51 VanDerWaalsContact OE2-CB 3.3Å; E46-L51 WeakPolarHBondContact OE2-CB 3.43Å; E46-L51 WeakPolarHBondContact OE2-CD2 3.44Å; L51-H53 PolarHBondContact O-N 3.08Å; L51-R54 PolarHBondContact O-N 3.31Å; L51-F55 WeakPolarHBondContact O-CB 3.29Å; L51-F55 PolarHBondContact O-N 2.9Å; L51-A105 HydrophobicContact CD1-CB 3.88Å; L51-I109 HydrophobicContact CD1-CD1 4.1Å; L51-I109 HydrophobicContact CD2-CD1 3.6Å; L51-I109 HydrophobicContact CD2-CG1 3.92Å; L51-I109 HydrophobicContact CG-CD1 4.47Å
52	L	50	Low	55.9	Low	135 Å²	135	80 Å²	80	71%	0.707	40%	0.404	S	S	*	.	H	α-helix	trans	-63.7	-42.8	179.7	-174.7	67.7	0	0	0	111.2	F55 G56	L52-F55 PolarHBondContact O-N 3.13Å; L52-G56 PolarHBondContact O-N 2.98Å
53	H	54.2	Low	56.6	Low	134 Å²	134	82 Å²	82	62%	0.62	41%	0.409	S	S	*	.	H	α-helix	trans	-61.8	-44.4	175.2	-175.6	77.6	0	0	0	112	D49 L51 G56 Q57	D49-H53 WeakPolarHBondContact O-CB 3.25Å; L51-H53 PolarHBondContact O-N 3.08Å; H53-G56 PolarHBondContact O-N 3.29Å; H53-Q57 WeakPolarHBondContact O-CB 3.45Å; H53-Q57 PolarHBondContact O-N 3.4Å
54	R	56.2	Low	57.7	Low	117 Å²	117	80 Å²	80	44%	0.442	41%	0.406	S	S	.	.	H	α-helix	trans	-66.2	-38.6	175.6	-77.3	178.4	-171.9	171	9.5	112.3	I50 L51 Q57 H58	I50-R54 HydrophobicContact CG2-CG 4.11Å; I50-R54 WeakPolarHBondContact O-CB 3.46Å; I50-R54 WeakPolarHBondContact O-CG 3.38Å; I50-R54 PolarHBondContact O-N 3.3Å; L51-R54 PolarHBondContact O-N 3.31Å; R54-Q57 CarbonylContact O-C 3.58Å; R54-Q57 PolarHBondContact O-N 3.08Å; R54-H58 WeakPolarHBondContact O-CB 3.49Å; R54-H58 PolarHBondContact O-N 2.79Å
55	F	49.4	Very low	58.4	Low	118 Å²	118	79 Å²	79	52%	0.518	40%	0.396	S	S	.	.	H	α-helix	trans	-62.2	-46.7	175.1	-179.6	-98.2	0	0	0	110.8	L51 L52 Q57 H58 M59	L51-F55 WeakPolarHBondContact O-CB 3.29Å; L51-F55 PolarHBondContact O-N 2.9Å; L52-F55 PolarHBondContact O-N 3.13Å; F55-Q57 VanDerWaalsContact C-N 3.32Å; F55-Q57 PolarHBondContact O-N 3.24Å; F55-H58 WeakPolarHBondContact O-CB 3.31Å; F55-H58 PolarHBondContact O-N 2.86Å; F55-H58 VanDerWaalsContact O-N 3.16Å; F55-M59 HydrophobicContact CD1-CG 4.28Å; F55-M59 HydrophobicContact CE1-CG 3.81Å; F55-M59 HydrophobicContact CE2-CG 4.47Å; F55-M59 HydrophobicContact CZ-CG 3.91Å; F55-M59 HydrophobicContact CZ-SD 4.11Å; F55-M59 WeakPolarHBondContact O-CG 3.41Å; F55-M59 PolarHBondContact O-N 2.84Å
56	G	62.5	Low	59.2	Low	31 Å²	31	79.3 Å²	79.3	32%	0.32	40%	0.4	S	S	.	.	H	α-helix	trans	-59.3	-41.9	173.4	0	0	0	0	0	112.7	L52 H53 M59 K60	L52-G56 PolarHBondContact O-N 2.98Å; H53-G56 PolarHBondContact O-N 3.29Å; G56-M59 PolarHBondContact O-N 3.11Å; G56-K60 WeakPolarHBondContact O-CG 3.46Å; G56-K60 PolarHBondContact O-N 3.09Å; G56-K60 VanDerWaalsContact O-N 3.1Å
57	Q	62.9	Low	60.2	Low	70 Å²	70	81.5 Å²	81.5	33%	0.327	41%	0.407	S	S	.	.	H	α-helix	trans	-64.8	-38.1	174.9	-172	58.7	56.2	0	0	112.4	H53 R54 F55 K60 N61	H53-Q57 WeakPolarHBondContact O-CB 3.45Å; H53-Q57 PolarHBondContact O-N 3.4Å; R54-Q57 CarbonylContact O-C 3.58Å; R54-Q57 PolarHBondContact O-N 3.08Å; F55-Q57 VanDerWaalsContact C-N 3.32Å; F55-Q57 PolarHBondContact O-N 3.24Å; Q57-K60 PolarHBondContact O-N 2.9Å; Q57-N61 PolarHBondContact NE2-OD1 3.02Å; Q57-N61 VanDerWaalsContact O-CG 3.23Å; Q57-N61 PolarHBondContact O-N 3.17Å; Q57-N61 PolarHBondContact O-ND2 2.87Å; Q57-N61 PolarHBondContact O-OD1 2.75Å
58	H	58.9	Low	61.3	Low	33 Å²	33	78.9 Å²	78.9	15%	0.153	39%	0.392	C	S	.	.	H	α-helix	trans	-64.2	-47.5	174.6	173.8	78.7	0	0	0	111.2	R54 F55 K60 N61 V62 V102	R54-H58 WeakPolarHBondContact O-CB 3.49Å; R54-H58 PolarHBondContact O-N 2.79Å; F55-H58 WeakPolarHBondContact O-CB 3.31Å; F55-H58 PolarHBondContact O-N 2.86Å; F55-H58 VanDerWaalsContact O-N 3.16Å; H58-K60 VanDerWaalsContact C-N 3.26Å; H58-K60 PolarHBondContact O-N 2.8Å; H58-N61 CarbonylContact O-C 3.57Å; H58-N61 WeakPolarHBondContact O-CA 3.48Å; H58-N61 PolarHBondContact O-N 3.43Å; H58-V62 VanDerWaalsContact CE1-CG2 3.49Å; H58-V62 WeakPolarHBondContact CE1-CG2 3.27Å; H58-V62 WeakPolarHBondContact NE2-CG2 3.27Å; H58-V62 WeakPolarHBondContact O-CG2 3.37Å; H58-V62 PolarHBondContact O-N 3.16Å; H58-V102 HydrophobicContact CB-CG2 3.62Å; H58-V102 WeakPolarHBondContact ND1-CG2 3.31Å
59	M	61.8	Low	62.2	Low	84 Å²	84	81.1 Å²	81.1	41%	0.414	39%	0.394	S	S	.	.	H	α-helix	trans	-57.7	-39.8	176.7	-72.6	-58.3	-63.6	0	0	111.9	F55 G56 V62 L63	F55-M59 HydrophobicContact CD1-CG 4.28Å; F55-M59 HydrophobicContact CE1-CG 3.81Å; F55-M59 HydrophobicContact CE2-CG 4.47Å; F55-M59 HydrophobicContact CZ-CG 3.91Å; F55-M59 HydrophobicContact CZ-SD 4.11Å; F55-M59 WeakPolarHBondContact O-CG 3.41Å; F55-M59 PolarHBondContact O-N 2.84Å; G56-M59 PolarHBondContact O-N 3.11Å; M59-V62 PolarHBondContact O-N 2.93Å; M59-L63 VanDerWaalsContact O-CG 3.29Å; M59-L63 WeakPolarHBondContact O-CG 3.36Å; M59-L63 PolarHBondContact O-N 3.16Å
60	K	71.3	Confident	63.6	Low	133 Å²	133	82.2 Å²	82.2	58%	0.578	39%	0.389	S	S	*	.	H	α-helix	trans	-61.6	-43.4	172.1	-70.9	175.8	-178.2	178.6	0	112.4	G56 Q57 H58 L63 T64	G56-K60 WeakPolarHBondContact O-CG 3.46Å; G56-K60 PolarHBondContact O-N 3.09Å; G56-K60 VanDerWaalsContact O-N 3.1Å; Q57-K60 PolarHBondContact O-N 2.9Å; H58-K60 VanDerWaalsContact C-N 3.26Å; H58-K60 PolarHBondContact O-N 2.8Å; K60-L63 PolarHBondContact O-N 3.49Å; K60-T64 WeakPolarHBondContact O-CB 3.32Å; K60-T64 PolarHBondContact O-N 2.95Å; K60-T64 PolarHBondContact O-OG1 3.24Å
61	N	66.8	Low	64.5	Low	17 Å²	17	81.8 Å²	81.8	9%	0.091	39%	0.391	C	S	.	.	H	α-helix	trans	-68.1	-39.7	179.8	-66.9	-15.8	0	0	0	111.8	Q57 H58 T64 Y65 A98	Q57-N61 PolarHBondContact NE2-OD1 3.02Å; Q57-N61 VanDerWaalsContact O-CG 3.23Å; Q57-N61 PolarHBondContact O-N 3.17Å; Q57-N61 PolarHBondContact O-ND2 2.87Å; Q57-N61 PolarHBondContact O-OD1 2.75Å; H58-N61 CarbonylContact O-C 3.57Å; H58-N61 WeakPolarHBondContact O-CA 3.48Å; H58-N61 PolarHBondContact O-N 3.43Å; N61-T64 WeakPolarHBondContact O-CB 3.45Å; N61-T64 PolarHBondContact O-N 2.81Å; N61-Y65 PolarHBondContact O-N 2.95Å; N61-A98 HydrophobicContact CB-CB 3.95Å; N61-A98 WeakPolarHBondContact ND2-CB 3.06Å
62	V	66	Low	65.6	Low	43 Å²	43	84.4 Å²	84.4	26%	0.261	40%	0.404	S	S	.	.	H	α-helix	trans	-63.1	-43.9	174.7	171.8	0	0	0	0	111.2	H58 M59 T64 Y65 K66	H58-V62 VanDerWaalsContact CE1-CG2 3.49Å; H58-V62 WeakPolarHBondContact CE1-CG2 3.27Å; H58-V62 WeakPolarHBondContact NE2-CG2 3.27Å; H58-V62 WeakPolarHBondContact O-CG2 3.37Å; H58-V62 PolarHBondContact O-N 3.16Å; M59-V62 PolarHBondContact O-N 2.93Å; V62-T64 VanDerWaalsContact C-N 3.31Å; V62-T64 PolarHBondContact O-N 3.4Å; V62-Y65 PolarHBondContact O-N 3.02Å; V62-K66 WeakPolarHBondContact O-CG 3.45Å; V62-K66 PolarHBondContact O-N 3.01Å
63	L	72.3	Confident	66.9	Low	111 Å²	111	83.6 Å²	83.6	58%	0.581	40%	0.401	S	S	*	.	H	α-helix	trans	-62.6	-39.9	174.7	-71.2	172.7	0	0	0	111.7	M59 K60 K66 Y67	M59-L63 VanDerWaalsContact O-CG 3.29Å; M59-L63 WeakPolarHBondContact O-CG 3.36Å; M59-L63 PolarHBondContact O-N 3.16Å; K60-L63 PolarHBondContact O-N 3.49Å; L63-K66 PolarHBondContact O-N 3.47Å; L63-Y67 WeakPolarHBondContact O-CB 3.08Å; L63-Y67 PolarHBondContact O-N 3.32Å
64	T	72.4	Confident	67.9	Low	44 Å²	44	80.1 Å²	80.1	27%	0.27	40%	0.402	S	S	.	.	H	α-helix	trans	-63	-43.7	175.4	-53.8	0	0	0	0	111.2	K60 N61 V62 Y67 A68	K60-T64 WeakPolarHBondContact O-CB 3.32Å; K60-T64 PolarHBondContact O-N 2.95Å; K60-T64 PolarHBondContact O-OG1 3.24Å; N61-T64 WeakPolarHBondContact O-CB 3.45Å; N61-T64 PolarHBondContact O-N 2.81Å; V62-T64 VanDerWaalsContact C-N 3.31Å; V62-T64 PolarHBondContact O-N 3.4Å; T64-Y67 PolarHBondContact O-N 2.86Å; T64-A68 WeakPolarHBondContact O-CB 3.25Å; T64-A68 PolarHBondContact O-N 3.43Å
65	Y	65.7	Low	68.4	Low	82 Å²	82	79.9 Å²	79.9	32%	0.322	41%	0.405	S	S	.	.	H	α-helix	trans	-58.9	-51.2	175.6	176.6	-87	0	0	0	111.1	N61 V62 Y67 A68 E69 M92 A95	N61-Y65 PolarHBondContact O-N 2.95Å; V62-Y65 PolarHBondContact O-N 3.02Å; Y65-Y67 PolarHBondContact O-N 2.93Å; Y65-A68 PolarHBondContact O-N 2.87Å; Y65-A68 VanDerWaalsContact O-N 3.11Å; Y65-E69 HydrophobicContact CE1-CB 4.27Å; Y65-E69 WeakPolarHBondContact CE1-OE2 3.34Å; Y65-E69 WeakPolarHBondContact O-CB 3.35Å; Y65-E69 PolarHBondContact O-N 3.47Å; Y65-E69 PolarHBondContact OH-OE1 2.86Å; Y65-E69 VanDerWaalsContact OH-OE1 3.1Å; Y65-M92 HydrophobicContact CE2-CG 4.48Å; Y65-A95 HydrophobicContact CD2-CB 3.87Å; Y65-A95 HydrophobicContact CG-CB 4.3Å
66	K	70.7	Confident	69	Low	110 Å²	110	79.8 Å²	79.8	48%	0.478	42%	0.416	S	S	.	.	H	α-helix	trans	-58	-38.2	178.3	-73.1	-176.4	176.5	-176	0	112	V62 L63 R70	V62-K66 WeakPolarHBondContact O-CG 3.45Å; V62-K66 PolarHBondContact O-N 3.01Å; L63-K66 PolarHBondContact O-N 3.47Å; K66-R70 VanDerWaalsContact O-CG 3.25Å; K66-R70 WeakPolarHBondContact O-CG 3.3Å; K66-R70 PolarHBondContact O-N 3.43Å; K66-R70 VanDerWaalsContact O-N 3.15Å
67	Y	72.3	Confident	68.7	Low	89 Å²	89	80.9 Å²	80.9	35%	0.349	42%	0.422	S	S	.	.	H	α-helix	trans	-67.7	-44.2	176	-178.1	-91.7	0	0	0	112.5	L63 T64 Y65 R70 T71 A77 Q84	L63-Y67 WeakPolarHBondContact O-CB 3.08Å; L63-Y67 PolarHBondContact O-N 3.32Å; T64-Y67 PolarHBondContact O-N 2.86Å; Y65-Y67 PolarHBondContact O-N 2.93Å; Y67-R70 PolarHBondContact O-N 2.71Å; Y67-T71 PolarHBondContact O-N 2.95Å; Y67-T71 PolarHBondContact O-OG1 2.79Å; Y67-A77 HydrophobicContact CE2-CB 3.78Å; Y67-A77 VanDerWaalsContact OH-CB 3.32Å; Y67-A77 WeakPolarHBondContact OH-CB 3.29Å; Y67-Q84 VanDerWaalsContact CD1-NE2 3.33Å
68	A	71.8	Confident	68.5	Low	14 Å²	14	84.6 Å²	84.6	12%	0.116	45%	0.45	C	S	.	.	H	α-helix	trans	-64.7	-41.7	177.6	0	0	0	0	0	112	T64 Y65 T71 L72	T64-A68 WeakPolarHBondContact O-CB 3.25Å; T64-A68 PolarHBondContact O-N 3.43Å; Y65-A68 PolarHBondContact O-N 2.87Å; Y65-A68 VanDerWaalsContact O-N 3.11Å; A68-T71 WeakPolarHBondContact O-CB 3.2Å; A68-T71 PolarHBondContact O-N 3.27Å; A68-L72 WeakPolarHBondContact O-CG 3.1Å; A68-L72 PolarHBondContact O-N 3.04Å
69	E	70.6	Confident	68.5	Low	80 Å²	80	85.3 Å²	85.3	37%	0.374	47%	0.466	S	S	.	.	H	α-helix	trans	-60	-45.4	175.9	-176	172.5	-123.5	0	0	111.5	Y65 T71 L72 N73	Y65-E69 HydrophobicContact CE1-CB 4.27Å; Y65-E69 WeakPolarHBondContact CE1-OE2 3.34Å; Y65-E69 WeakPolarHBondContact O-CB 3.35Å; Y65-E69 PolarHBondContact O-N 3.47Å; Y65-E69 PolarHBondContact OH-OE1 2.86Å; Y65-E69 VanDerWaalsContact OH-OE1 3.1Å; E69-T71 VanDerWaalsContact C-N 3.33Å; E69-T71 PolarHBondContact O-N 3.33Å; E69-L72 PolarHBondContact O-N 2.63Å; E69-N73 WeakPolarHBondContact O-CB 3.01Å; E69-N73 PolarHBondContact O-N 2.8Å; E69-N73 PolarHBondContact O-ND2 3.43Å
70	R	75.6	Confident	68.1	Low	144 Å²	144	88.4 Å²	88.4	54%	0.543	49%	0.493	S	S	.	.	H	α-helix	trans	-60.4	-41.9	173.6	-72.3	178.7	-176.3	180	-2.5	112.8	K66 Y67 L72 N73 G74 E75	K66-R70 VanDerWaalsContact O-CG 3.25Å; K66-R70 WeakPolarHBondContact O-CG 3.3Å; K66-R70 PolarHBondContact O-N 3.43Å; K66-R70 VanDerWaalsContact O-N 3.15Å; Y67-R70 PolarHBondContact O-N 2.71Å; R70-L72 VanDerWaalsContact C-N 3.35Å; R70-N73 CarbonylContact O-C 3.6Å; R70-N73 PolarHBondContact O-N 3.44Å; R70-G74 PolarHBondContact O-N 2.89Å; R70-E75 HydrophobicContact CB-CB 4.22Å; R70-E75 WeakPolarHBondContact CG-OE2 3.34Å; R70-E75 PolarHBondContact O-N 3.26Å
71	T	72.4	Confident	67.3	Low	77 Å²	77	84.9 Å²	84.9	47%	0.472	49%	0.494	S	S	.	.	H	α-helix	trans	-63.9	-41.5	178.3	-52.9	0	0	0	0	111.2	Y67 A68 E69 N73 G74	Y67-T71 PolarHBondContact O-N 2.95Å; Y67-T71 PolarHBondContact O-OG1 2.79Å; A68-T71 WeakPolarHBondContact O-CB 3.2Å; A68-T71 PolarHBondContact O-N 3.27Å; E69-T71 VanDerWaalsContact C-N 3.33Å; E69-T71 PolarHBondContact O-N 3.33Å; T71-N73 VanDerWaalsContact C-N 3.33Å; T71-G74 PolarHBondContact O-N 3.34Å
72	L	73.2	Confident	66.5	Low	106 Å²	106	89.4 Å²	89.4	56%	0.555	53%	0.526	S	S	*	.	H	α-helix	trans	-65.7	-36	175.2	-76.2	171.1	0	0	0	112.5	A68 E69 R70 G74 P88 M92	A68-L72 WeakPolarHBondContact O-CG 3.1Å; A68-L72 PolarHBondContact O-N 3.04Å; E69-L72 PolarHBondContact O-N 2.63Å; R70-L72 VanDerWaalsContact C-N 3.35Å; L72-G74 PolarHBondContact O-N 3Å; L72-P88 HydrophobicContact CD2-CB 4.49Å; L72-M92 HydrophobicContact CD1-SD 4.38Å
73	N	78.1	Confident	66	Low	118 Å²	118	92.4 Å²	92.4	63%	0.631	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	0.7	176.4	-64.3	-23.7	0	0	0	113.1	E69 R70 T71 E75	E69-N73 WeakPolarHBondContact O-CB 3.01Å; E69-N73 PolarHBondContact O-N 2.8Å; E69-N73 PolarHBondContact O-ND2 3.43Å; R70-N73 CarbonylContact O-C 3.6Å; R70-N73 PolarHBondContact O-N 3.44Å; T71-N73 VanDerWaalsContact C-N 3.33Å; N73-E75 VanDerWaalsContact C-N 3.31Å; N73-E75 PolarHBondContact O-N 3.13Å
74	G	74.2	Confident	65.4	Low	62 Å²	62	92 Å²	92	64%	0.639	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	16	178.6	0	0	0	0	0	114.5	R70 T71 L72	R70-G74 PolarHBondContact O-N 2.89Å; T71-G74 PolarHBondContact O-N 3.34Å; L72-G74 PolarHBondContact O-N 3Å
75	E	67.3	Low	64.9	Low	112 Å²	112	96.5 Å²	96.5	52%	0.523	57%	0.569	S	S	.	*			trans	-75.1	129.8	176	-71.3	-167.1	157.8	0	0	110.6	R70 N73 A77	R70-E75 HydrophobicContact CB-CB 4.22Å; R70-E75 WeakPolarHBondContact CG-OE2 3.34Å; R70-E75 PolarHBondContact O-N 3.26Å; N73-E75 VanDerWaalsContact C-N 3.31Å; N73-E75 PolarHBondContact O-N 3.13Å; E75-A77 PolarHBondContact O-N 3.03Å
76	P	61.4	Low	65.1	Low	115 Å²	115	96.3 Å²	96.3	75%	0.747	58%	0.577	S	S	*	*			trans	-63.8	122.3	-179.1	19.8	-27.2	0	0	0	111.2	T78	P76-T78 PolarHBondContact O-N 3.48Å
77	A	57.5	Low	65.4	Low	54 Å²	54	95 Å²	95	45%	0.446	58%	0.575	S	S	.	*			trans	-68.1	95.9	175.6	0	0	0	0	0	110.3	Y67 E75 G79	Y67-A77 HydrophobicContact CE2-CB 3.78Å; Y67-A77 VanDerWaalsContact OH-CB 3.32Å; Y67-A77 WeakPolarHBondContact OH-CB 3.29Å; E75-A77 PolarHBondContact O-N 3.03Å; A77-G79 VanDerWaalsContact C-N 3.27Å; A77-G79 PolarHBondContact O-N 2.93Å
78	T	58.9	Low	65.7	Low	148 Å²	148	93.5 Å²	93.5	91%	0.908	58%	0.576	S	S	*	*			trans	-72.6	82.6	171.5	-42.2	0	0	0	0	109.3	P76	P76-T78 PolarHBondContact O-N 3.48Å
79	G	57.5	Low	66.1	Low	48 Å²	48	101.2 Å²	101.2	50%	0.495	60%	0.602	S	S	.	*			trans	-176.3	119.9	174.8	0	0	0	0	0	113.7	A77 G81	A77-G79 VanDerWaalsContact C-N 3.27Å; A77-G79 PolarHBondContact O-N 2.93Å; G79-G81 PolarHBondContact O-N 3.34Å
80	P	53.2	Low	66.7	Low	150 Å²	150	103.9 Å²	103.9	97%	0.974	61%	0.612	S	S	*	*			trans	-75.4	91.7	172.9	29.5	-29.2	0	0	0	109.2
81	G	54.6	Low	66.8	Low	58 Å²	58	97.7 Å²	97.7	60%	0.598	59%	0.592	S	S	*	*			trans	-155.2	138.5	177.9	0	0	0	0	0	110.9	G79	G79-G81 PolarHBondContact O-N 3.34Å
82	C	50.3	Low	67.1	Low	112 Å²	112	97.6 Å²	97.6	76%	0.757	59%	0.587	S	S	*	*			trans	-34.4	130.3	-174.4	-173.2	0	0	0	0	113.1	Q84	C82-Q84 PolarHBondContact O-N 2.9Å
83	P	55.2	Low	67.4	Low	106 Å²	106	97.7 Å²	97.7	69%	0.688	59%	0.585	S	S	*	*			trans	-48.9	119.8	174.5	-24.2	31.9	0	0	0	108.9	T85	P83-T85 VanDerWaalsContact C-N 3.27Å; P83-T85 PolarHBondContact O-N 2.79Å; P83-T85 PolarHBondContact O-OG1 3.28Å
84	Q	59.8	Low	67.4	Low	103 Å²	103	98 Å²	98	48%	0.481	58%	0.58	S	S	.	*			trans	-66.3	96.6	173.5	-67.2	-159.4	58.3	0	0	106.7	Y67 C82 T86	Y67-Q84 VanDerWaalsContact CD1-NE2 3.33Å; C82-Q84 PolarHBondContact O-N 2.9Å; Q84-T86 PolarHBondContact O-N 3.45Å
85	T	63.5	Low	67.5	Low	138 Å²	138	95.5 Å²	95.5	85%	0.847	55%	0.554	S	S	*	*			trans	-69.4	14.2	179.5	-34.4	0	0	0	0	112.3	P83	P83-T85 VanDerWaalsContact C-N 3.27Å; P83-T85 PolarHBondContact O-N 2.79Å; P83-T85 PolarHBondContact O-OG1 3.28Å
86	T	68.1	Low	67.9	Low	79 Å²	79	95.4 Å²	95.4	49%	0.485	56%	0.556	S	S	.	*	S	Bend	trans	-89.1	122.6	177.2	-54.5	0	0	0	0	108.1	Q84 K90 A91	Q84-T86 PolarHBondContact O-N 3.45Å; T86-K90 HydrophobicContact CG2-CB 4.14Å; T86-A91 HydrophobicContact CG2-CB 4.46Å
87	D	78.2	Confident	68.6	Low	82 Å²	82	93.2 Å²	93.2	44%	0.439	54%	0.543	S	S	.	.			trans	-46.2	125.7	170.6	170	55.4	0	0	0	110.8	R89 K90 A91	D87-R89 PolarHBondContact O-N 3.24Å; D87-R89 VanDerWaalsContact O-N 3.13Å; D87-R89 WeakPolarHBondContact OD2-CB 3.48Å; D87-K90 HydrophobicContact CB-CB 4.4Å; D87-K90 HydrophobicContact CB-CD 4.3Å; D87-K90 HydrophobicContact CB-CG 4.27Å; D87-K90 WeakPolarHBondContact O-CB 3.43Å; D87-K90 PolarHBondContact O-N 2.91Å; D87-K90 PolarHBondContact OD2-N 3.41Å; D87-A91 PolarHBondContact O-N 3.27Å; D87-A91 VanDerWaalsContact O-N 3.11Å
88	P	78.2	Confident	69.2	Low	57 Å²	57	91 Å²	91	37%	0.37	53%	0.525	S	S	.	.	H	α-helix	trans	-53.1	-36.7	-175.6	-30	35.5	0	0	0	113.8	L72 A91 M92	L72-P88 HydrophobicContact CD2-CB 4.49Å; P88-A91 WeakPolarHBondContact O-CB 3.39Å; P88-A91 PolarHBondContact O-N 3.38Å; P88-M92 WeakPolarHBondContact O-CG 3.3Å; P88-M92 PolarHBondContact O-N 3.39Å
89	R	80.1	Confident	69.7	Low	177 Å²	177	86.3 Å²	86.3	67%	0.668	50%	0.498	S	S	*	.	H	α-helix	trans	-63.5	-46.7	177.3	177.3	-175.4	-70.5	-134.3	-1.1	111.5	D87 A91 M92 E93	D87-R89 PolarHBondContact O-N 3.24Å; D87-R89 VanDerWaalsContact O-N 3.13Å; D87-R89 WeakPolarHBondContact OD2-CB 3.48Å; R89-A91 PolarHBondContact O-N 3.42Å; R89-M92 WeakPolarHBondContact O-CB 3.25Å; R89-M92 PolarHBondContact O-N 2.89Å; R89-M92 VanDerWaalsContact O-N 3.13Å; R89-E93 WeakPolarHBondContact O-CG 3.43Å; R89-E93 PolarHBondContact O-N 2.9Å
90	K	83.5	Confident	70.4	Confident	136 Å²	136	88.2 Å²	88.2	59%	0.591	50%	0.5	S	S	*	.	H	α-helix	trans	-59	-36.6	173.9	-71	-176.3	-179.2	178.7	0	112.5	T86 D87 K94	T86-K90 HydrophobicContact CG2-CB 4.14Å; D87-K90 HydrophobicContact CB-CB 4.4Å; D87-K90 HydrophobicContact CB-CD 4.3Å; D87-K90 HydrophobicContact CB-CG 4.27Å; D87-K90 WeakPolarHBondContact O-CB 3.43Å; D87-K90 PolarHBondContact O-N 2.91Å; D87-K90 PolarHBondContact OD2-N 3.41Å; K90-K94 WeakPolarHBondContact O-CB 3.11Å; K90-K94 PolarHBondContact O-N 3.17Å; K90-K94 VanDerWaalsContact O-N 3.1Å
91	A	77.2	Confident	71.1	Confident	14 Å²	14	85 Å²	85	12%	0.116	47%	0.474	C	S	.	.	H	α-helix	trans	-64.9	-41.3	176.3	0	0	0	0	0	111.7	T86 D87 P88 R89 K94 A95	T86-A91 HydrophobicContact CG2-CB 4.46Å; D87-A91 PolarHBondContact O-N 3.27Å; D87-A91 VanDerWaalsContact O-N 3.11Å; P88-A91 WeakPolarHBondContact O-CB 3.39Å; P88-A91 PolarHBondContact O-N 3.38Å; R89-A91 PolarHBondContact O-N 3.42Å; A91-K94 PolarHBondContact O-N 3.06Å; A91-A95 PolarHBondContact O-N 3.48Å
92	M	78.2	Confident	71.5	Confident	75 Å²	75	84 Å²	84	37%	0.369	46%	0.456	S	S	.	.	H	α-helix	trans	-64.5	-45.4	175.4	-66.7	175.6	74.9	0	0	112.2	Y65 L72 P88 R89 K94 A95 I96	Y65-M92 HydrophobicContact CE2-CG 4.48Å; L72-M92 HydrophobicContact CD1-SD 4.38Å; P88-M92 WeakPolarHBondContact O-CG 3.3Å; P88-M92 PolarHBondContact O-N 3.39Å; R89-M92 WeakPolarHBondContact O-CB 3.25Å; R89-M92 PolarHBondContact O-N 2.89Å; R89-M92 VanDerWaalsContact O-N 3.13Å; M92-K94 VanDerWaalsContact C-N 3.27Å; M92-K94 PolarHBondContact O-N 3.01Å; M92-A95 WeakPolarHBondContact O-CB 3.38Å; M92-A95 PolarHBondContact O-N 2.87Å; M92-I96 WeakPolarHBondContact O-CG1 3.38Å; M92-I96 PolarHBondContact O-N 3.09Å
93	E	80.4	Confident	72.1	Confident	108 Å²	108	85.4 Å²	85.4	51%	0.505	45%	0.451	S	S	.	.	H	α-helix	trans	-59	-39.8	177	-71.8	171	179.4	0	0	112	R89 I96 S97	R89-E93 WeakPolarHBondContact O-CG 3.43Å; R89-E93 PolarHBondContact O-N 2.9Å; E93-I96 PolarHBondContact O-N 3.37Å; E93-S97 WeakPolarHBondContact O-CB 3.45Å; E93-S97 PolarHBondContact O-N 2.91Å; E93-S97 PolarHBondContact O-OG 3.4Å
94	K	77.9	Confident	72.7	Confident	123 Å²	123	84.1 Å²	84.1	54%	0.535	44%	0.436	S	S	.	.	H	α-helix	trans	-65.6	-39.4	174.2	-173.5	177.6	179.3	-179.7	0	111.9	K90 A91 M92 A98	K90-K94 WeakPolarHBondContact O-CB 3.11Å; K90-K94 PolarHBondContact O-N 3.17Å; K90-K94 VanDerWaalsContact O-N 3.1Å; A91-K94 PolarHBondContact O-N 3.06Å; M92-K94 VanDerWaalsContact C-N 3.27Å; M92-K94 PolarHBondContact O-N 3.01Å; K94-A98 WeakPolarHBondContact O-CB 3.46Å; K94-A98 PolarHBondContact O-N 3.05Å
95	A	75.8	Confident	72.9	Confident	11 Å²	11	79.9 Å²	79.9	9%	0.091	42%	0.418	C	S	.	.	H	α-helix	trans	-64.5	-45	176.1	0	0	0	0	0	111.6	Y65 A91 M92 A98 S99	Y65-A95 HydrophobicContact CD2-CB 3.87Å; Y65-A95 HydrophobicContact CG-CB 4.3Å; A91-A95 PolarHBondContact O-N 3.48Å; M92-A95 WeakPolarHBondContact O-CB 3.38Å; M92-A95 PolarHBondContact O-N 2.87Å; A95-A98 WeakPolarHBondContact O-CB 3.24Å; A95-A98 PolarHBondContact O-N 3.47Å; A95-S99 PolarHBondContact O-N 3.13Å; A95-S99 PolarHBondContact O-OG 2.69Å
96	I	76.8	Confident	72.9	Confident	110 Å²	110	76 Å²	76	56%	0.564	40%	0.397	S	S	*	.	H	α-helix	trans	-59.5	-50	175.4	-67.5	167.9	0	0	0	110.6	M92 E93 A98 S99 V100	M92-I96 WeakPolarHBondContact O-CG1 3.38Å; M92-I96 PolarHBondContact O-N 3.09Å; E93-I96 PolarHBondContact O-N 3.37Å; I96-A98 PolarHBondContact O-N 3.37Å; I96-S99 WeakPolarHBondContact O-CB 3.43Å; I96-S99 PolarHBondContact O-N 3.39Å; I96-V100 PolarHBondContact O-N 3.28Å
97	S	74.8	Confident	72.7	Confident	69 Å²	69	77.3 Å²	77.3	48%	0.483	39%	0.393	S	S	.	.	H	α-helix	trans	-57.6	-38.1	177.5	-62.2	0	0	0	0	111.8	E93 V100 I101	E93-S97 WeakPolarHBondContact O-CB 3.45Å; E93-S97 PolarHBondContact O-N 2.91Å; E93-S97 PolarHBondContact O-OG 3.4Å; S97-V100 PolarHBondContact O-N 3.3Å; S97-I101 VanDerWaalsContact O-CG1 3.31Å; S97-I101 WeakPolarHBondContact O-CG1 3.2Å; S97-I101 PolarHBondContact O-N 2.87Å; S97-I101 VanDerWaalsContact O-N 3.09Å
98	A	71	Confident	71.6	Confident	7 Å²	7	75.7 Å²	75.7	6%	0.058	38%	0.381	C	S	.	.	H	α-helix	trans	-69.1	-36.2	176	0	0	0	0	0	113.3	N61 K94 A95 I96 I101 V102	N61-A98 HydrophobicContact CB-CB 3.95Å; N61-A98 WeakPolarHBondContact ND2-CB 3.06Å; K94-A98 WeakPolarHBondContact O-CB 3.46Å; K94-A98 PolarHBondContact O-N 3.05Å; A95-A98 WeakPolarHBondContact O-CB 3.24Å; A95-A98 PolarHBondContact O-N 3.47Å; I96-A98 PolarHBondContact O-N 3.37Å; A98-I101 PolarHBondContact O-N 2.88Å; A98-V102 PolarHBondContact O-N 3.39Å
99	S	69.5	Low	70.6	Confident	50 Å²	50	76 Å²	76	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-63.5	-44.4	173.4	-64.1	0	0	0	0	111.2	A95 I96 I101 V102 E103	A95-S99 PolarHBondContact O-N 3.13Å; A95-S99 PolarHBondContact O-OG 2.69Å; I96-S99 WeakPolarHBondContact O-CB 3.43Å; I96-S99 PolarHBondContact O-N 3.39Å; S99-I101 VanDerWaalsContact C-N 3.3Å; S99-I101 PolarHBondContact O-N 2.6Å; S99-V102 CarbonylContact O-C 3.57Å; S99-V102 PolarHBondContact O-N 3.41Å; S99-E103 PolarHBondContact O-N 3.42Å
100	V	71.3	Confident	69.4	Low	88 Å²	88	73.6 Å²	73.6	53%	0.533	38%	0.376	S	S	.	.	H	α-helix	trans	-59.4	-41.4	174.8	175.1	0	0	0	0	111.2	I96 S97 V102 E103 H104	I96-V100 PolarHBondContact O-N 3.28Å; S97-V100 PolarHBondContact O-N 3.3Å; V100-V102 VanDerWaalsContact C-N 3.3Å; V100-V102 PolarHBondContact O-N 3.1Å; V100-E103 PolarHBondContact O-N 3.29Å; V100-H104 VanDerWaalsContact O-CB 3.25Å; V100-H104 WeakPolarHBondContact O-CB 3.44Å; V100-H104 PolarHBondContact O-N 2.7Å
101	I	68.6	Low	68	Low	83 Å²	83	69.8 Å²	69.8	43%	0.426	36%	0.361	S	S	.	.	H	α-helix	trans	-61.1	-39.9	174.8	-69.5	165.3	0	0	0	111.1	S97 A98 S99 A105	S97-I101 VanDerWaalsContact O-CG1 3.31Å; S97-I101 WeakPolarHBondContact O-CG1 3.2Å; S97-I101 PolarHBondContact O-N 2.87Å; S97-I101 VanDerWaalsContact O-N 3.09Å; A98-I101 PolarHBondContact O-N 2.88Å; S99-I101 VanDerWaalsContact C-N 3.3Å; S99-I101 PolarHBondContact O-N 2.6Å; I101-A105 VanDerWaalsContact O-CB 3.3Å; I101-A105 WeakPolarHBondContact O-CB 3.38Å; I101-A105 PolarHBondContact O-N 3.48Å
102	V	64	Low	67	Low	37 Å²	37	70 Å²	70	22%	0.224	36%	0.363	C	S	.	.	H	α-helix	trans	-71.4	-46	177.7	166.9	0	0	0	0	112.5	H58 A98 S99 V100 H104 A105 S106	H58-V102 HydrophobicContact CB-CG2 3.62Å; H58-V102 WeakPolarHBondContact ND1-CG2 3.31Å; A98-V102 PolarHBondContact O-N 3.39Å; S99-V102 CarbonylContact O-C 3.57Å; S99-V102 PolarHBondContact O-N 3.41Å; V100-V102 VanDerWaalsContact C-N 3.3Å; V100-V102 PolarHBondContact O-N 3.1Å; V102-H104 PolarHBondContact O-N 3.41Å; V102-A105 CarbonylContact O-C 3.58Å; V102-A105 PolarHBondContact O-N 3.44Å; V102-S106 WeakPolarHBondContact O-CB 3.4Å; V102-S106 PolarHBondContact O-N 3.41Å; V102-S106 PolarHBondContact O-OG 3.27Å; V102-S106 VanDerWaalsContact O-OG 3.13Å
103	E	62.9	Low	65.9	Low	140 Å²	140	70.5 Å²	70.5	65%	0.654	37%	0.366	S	S	*	.	H	α-helix	trans	-56.6	-42.9	174.8	-72.9	-179.6	179.1	0	0	110.7	S99 V100 R107	S99-E103 PolarHBondContact O-N 3.42Å; V100-E103 PolarHBondContact O-N 3.29Å; E103-R107 VanDerWaalsContact O-CB 3.31Å; E103-R107 WeakPolarHBondContact O-CB 3.25Å; E103-R107 PolarHBondContact O-N 3.36Å
104	H	66.3	Low	64.5	Low	80 Å²	80	72.7 Å²	72.7	37%	0.37	37%	0.371	S	S	.	.	H	α-helix	trans	-61.5	-45.6	173.8	-171	94.1	0	0	0	112	V100 V102 R107 R108	V100-H104 VanDerWaalsContact O-CB 3.25Å; V100-H104 WeakPolarHBondContact O-CB 3.44Å; V100-H104 PolarHBondContact O-N 2.7Å; V102-H104 PolarHBondContact O-N 3.41Å; H104-R107 PolarHBondContact CE1-NH2 3.48Å; H104-R107 PolarHBondContact ND1-NH2 2.83Å; H104-R107 PolarHBondContact O-N 3.23Å; H104-R108 WeakPolarHBondContact O-CG 3.33Å; H104-R108 PolarHBondContact O-N 3.04Å; H104-R108 VanDerWaalsContact O-N 3.09Å
105	A	65.2	Low	63.5	Low	13 Å²	13	70.4 Å²	70.4	11%	0.107	36%	0.364	C	S	.	.	H	α-helix	trans	-66.4	-45.8	179	0	0	0	0	0	112.6	L51 I101 V102 R107 R108 I109	L51-A105 HydrophobicContact CD1-CB 3.88Å; I101-A105 VanDerWaalsContact O-CB 3.3Å; I101-A105 WeakPolarHBondContact O-CB 3.38Å; I101-A105 PolarHBondContact O-N 3.48Å; V102-A105 CarbonylContact O-C 3.58Å; V102-A105 PolarHBondContact O-N 3.44Å; A105-R107 VanDerWaalsContact C-N 3.3Å; A105-R107 PolarHBondContact O-N 2.89Å; A105-R108 CarbonylContact O-C 3.5Å; A105-R108 WeakPolarHBondContact O-CA 3.43Å; A105-R108 WeakPolarHBondContact O-CB 3.41Å; A105-R108 PolarHBondContact O-N 3.16Å; A105-I109 WeakPolarHBondContact O-CG1 3.36Å; A105-I109 PolarHBondContact O-N 2.78Å
106	S	62.1	Low	63	Low	58 Å²	58	74.7 Å²	74.7	41%	0.406	38%	0.381	S	S	.	.	H	α-helix	trans	-57.1	-44.3	175	-67	0	0	0	0	111	V102 R108 I109 M110	V102-S106 WeakPolarHBondContact O-CB 3.4Å; V102-S106 PolarHBondContact O-N 3.41Å; V102-S106 PolarHBondContact O-OG 3.27Å; V102-S106 VanDerWaalsContact O-OG 3.13Å; S106-R108 VanDerWaalsContact C-N 3.3Å; S106-R108 PolarHBondContact O-N 3.03Å; S106-I109 PolarHBondContact O-N 3.37Å; S106-M110 VanDerWaalsContact O-CG 3.29Å; S106-M110 WeakPolarHBondContact O-CG 3.31Å; S106-M110 PolarHBondContact O-N 3.31Å
107	R	64.4	Low	62	Low	106 Å²	106	75.4 Å²	75.4	40%	0.4	39%	0.385	S	S	.	.	H	α-helix	trans	-58.5	-42.3	173.2	-174.9	-175.6	63.1	95.6	0.6	111.6	E103 H104 A105 M110 E111	E103-R107 VanDerWaalsContact O-CB 3.31Å; E103-R107 WeakPolarHBondContact O-CB 3.25Å; E103-R107 PolarHBondContact O-N 3.36Å; H104-R107 PolarHBondContact CE1-NH2 3.48Å; H104-R107 PolarHBondContact ND1-NH2 2.83Å; H104-R107 PolarHBondContact O-N 3.23Å; A105-R107 VanDerWaalsContact C-N 3.3Å; A105-R107 PolarHBondContact O-N 2.89Å; R107-M110 PolarHBondContact O-N 3.03Å; R107-E111 IonicContact CZ-OE1 3.62Å; R107-E111 IonicContact NH1-OE1 2.7Å; R107-E111 PolarHBondContact NH1-OE1 2.97Å; R107-E111 IonicContact NH1-OE2 3.65Å; R107-E111 WeakPolarHBondContact O-CB 3.29Å; R107-E111 VanDerWaalsContact O-CG 3.24Å; R107-E111 WeakPolarHBondContact O-CG 3.15Å; R107-E111 PolarHBondContact O-N 2.96Å
108	R	54.7	Low	61.1	Low	48 Å²	48	73.5 Å²	73.5	18%	0.181	37%	0.37	C	S	.	.	H	α-helix	trans	-66.7	-40.1	178.5	-61.3	-89.6	87.3	164.9	5.3	112.3	S27 H104 A105 S106 E111 A112	S27-R108 PolarHBondContact O-NH1 3.39Å; H104-R108 WeakPolarHBondContact O-CG 3.33Å; H104-R108 PolarHBondContact O-N 3.04Å; H104-R108 VanDerWaalsContact O-N 3.09Å; A105-R108 CarbonylContact O-C 3.5Å; A105-R108 WeakPolarHBondContact O-CA 3.43Å; A105-R108 WeakPolarHBondContact O-CB 3.41Å; A105-R108 PolarHBondContact O-N 3.16Å; S106-R108 VanDerWaalsContact C-N 3.3Å; S106-R108 PolarHBondContact O-N 3.03Å; R108-E111 IonicContact CZ-OE2 2.96Å; R108-E111 IonicContact NE-OE2 2.69Å; R108-E111 PolarHBondContact NE-OE2 3.09Å; R108-E111 VanDerWaalsContact NH2-CD 3.3Å; R108-E111 IonicContact NH2-OE1 3.28Å; R108-E111 PolarHBondContact NH2-OE1 3.25Å; R108-E111 IonicContact NH2-OE2 2.6Å; R108-E111 PolarHBondContact NH2-OE2 3.48Å; R108-E111 PolarHBondContact O-N 2.97Å; R108-A112 WeakPolarHBondContact O-CB 3.45Å; R108-A112 PolarHBondContact O-N 3.43Å
109	I	58.4	Low	60.9	Low	62 Å²	62	77.2 Å²	77.2	32%	0.318	40%	0.396	S	S	.	.	H	α-helix	trans	-60.8	-47.5	173.8	-65.5	166.6	0	0	0	110	L51 A105 S106 E111 A112 L113	L51-I109 HydrophobicContact CD1-CD1 4.1Å; L51-I109 HydrophobicContact CD2-CD1 3.6Å; L51-I109 HydrophobicContact CD2-CG1 3.92Å; L51-I109 HydrophobicContact CG-CD1 4.47Å; A105-I109 WeakPolarHBondContact O-CG1 3.36Å; A105-I109 PolarHBondContact O-N 2.78Å; S106-I109 PolarHBondContact O-N 3.37Å; I109-E111 VanDerWaalsContact C-N 3.34Å; I109-E111 PolarHBondContact O-N 2.96Å; I109-A112 PolarHBondContact O-N 3.13Å; I109-L113 HydrophobicContact CG2-CD1 4.22Å; I109-L113 WeakPolarHBondContact O-CG 3.2Å; I109-L113 PolarHBondContact O-N 2.74Å
110	M	53.7	Low	60.5	Low	127 Å²	127	79.5 Å²	79.5	63%	0.626	41%	0.408	S	S	*	.	H	α-helix	trans	-61.4	-42.5	178.4	-70.5	-62.5	-68.4	0	0	111.9	S106 R107 L113 Y114	S106-M110 VanDerWaalsContact O-CG 3.29Å; S106-M110 WeakPolarHBondContact O-CG 3.31Å; S106-M110 PolarHBondContact O-N 3.31Å; R107-M110 PolarHBondContact O-N 3.03Å; M110-L113 PolarHBondContact O-N 2.94Å; M110-Y114 WeakPolarHBondContact O-CB 3.49Å; M110-Y114 PolarHBondContact O-N 3.23Å
111	E	54.5	Low	59.6	Low	57 Å²	57	80.1 Å²	80.1	27%	0.266	41%	0.407	S	S	.	.	H	α-helix	trans	-65.4	-40.1	175.4	-72.5	164	166	0	0	112.2	R107 R108 I109 Y114 I115	R107-E111 IonicContact CZ-OE1 3.62Å; R107-E111 IonicContact NH1-OE1 2.7Å; R107-E111 PolarHBondContact NH1-OE1 2.97Å; R107-E111 IonicContact NH1-OE2 3.65Å; R107-E111 WeakPolarHBondContact O-CB 3.29Å; R107-E111 VanDerWaalsContact O-CG 3.24Å; R107-E111 WeakPolarHBondContact O-CG 3.15Å; R107-E111 PolarHBondContact O-N 2.96Å; R108-E111 IonicContact CZ-OE2 2.96Å; R108-E111 IonicContact NE-OE2 2.69Å; R108-E111 PolarHBondContact NE-OE2 3.09Å; R108-E111 VanDerWaalsContact NH2-CD 3.3Å; R108-E111 IonicContact NH2-OE1 3.28Å; R108-E111 PolarHBondContact NH2-OE1 3.25Å; R108-E111 IonicContact NH2-OE2 2.6Å; R108-E111 PolarHBondContact NH2-OE2 3.48Å; R108-E111 PolarHBondContact O-N 2.97Å; I109-E111 VanDerWaalsContact C-N 3.34Å; I109-E111 PolarHBondContact O-N 2.96Å; E111-Y114 PolarHBondContact O-N 2.82Å; E111-I115 VanDerWaalsContact O-CG1 3.29Å; E111-I115 WeakPolarHBondContact O-CG1 3.29Å; E111-I115 PolarHBondContact O-N 2.73Å
112	A	55.6	Low	59	Low	19 Å²	19	77.3 Å²	77.3	16%	0.157	39%	0.393	C	S	.	.	H	α-helix	trans	-63.1	-41.7	175.2	0	0	0	0	0	111.6	V32 R108 I109 I115 K116	V32-A112 HydrophobicContact CG2-CB 4.3Å; R108-A112 WeakPolarHBondContact O-CB 3.45Å; R108-A112 PolarHBondContact O-N 3.43Å; I109-A112 PolarHBondContact O-N 3.13Å; A112-I115 PolarHBondContact O-N 2.96Å; A112-K116 WeakPolarHBondContact O-CB 3.49Å; A112-K116 PolarHBondContact O-N 3.47Å
113	L	56.7	Low	58.9	Low	84 Å²	84	85.7 Å²	85.7	44%	0.44	42%	0.42	S	S	.	.	H	α-helix	trans	-63.6	-41.2	173.6	-72.1	175.7	0	0	0	112	I109 M110 K116 N117	I109-L113 HydrophobicContact CG2-CD1 4.22Å; I109-L113 WeakPolarHBondContact O-CG 3.2Å; I109-L113 PolarHBondContact O-N 2.74Å; M110-L113 PolarHBondContact O-N 2.94Å; L113-K116 PolarHBondContact O-N 3.45Å; L113-N117 PolarHBondContact O-N 3Å; L113-N117 VanDerWaalsContact O-N 3.17Å; L113-N117 PolarHBondContact O-ND2 3.02Å
114	Y	50.7	Low	59	Low	155 Å²	155	82 Å²	82	61%	0.608	41%	0.405	S	S	*	.	H	α-helix	trans	-62.2	-46.4	176.1	-177.9	-94.3	0	0	0	111.3	M110 E111 N117 N118 I121	M110-Y114 WeakPolarHBondContact O-CB 3.49Å; M110-Y114 PolarHBondContact O-N 3.23Å; E111-Y114 PolarHBondContact O-N 2.82Å; Y114-N117 PolarHBondContact O-N 3.02Å; Y114-N118 WeakPolarHBondContact O-CB 3.44Å; Y114-N118 PolarHBondContact O-N 3.49Å; Y114-N118 PolarHBondContact OH-ND2 2.83Å; Y114-I121 HydrophobicContact CE1-CD1 4.28Å
115	I	57.1	Low	59	Low	74 Å²	74	83.8 Å²	83.8	38%	0.379	42%	0.417	S	S	.	.	H	α-helix	trans	-62.4	-47.5	176.9	-68.9	163.6	0	0	0	110.5	E111 A112 N117 N118 I121 N122	E111-I115 VanDerWaalsContact O-CG1 3.29Å; E111-I115 WeakPolarHBondContact O-CG1 3.29Å; E111-I115 PolarHBondContact O-N 2.73Å; A112-I115 PolarHBondContact O-N 2.96Å; I115-N117 VanDerWaalsContact C-N 3.27Å; I115-N117 PolarHBondContact O-N 3.26Å; I115-N118 PolarHBondContact O-N 2.95Å; I115-I121 HydrophobicContact CG2-CG2 3.97Å; I115-N122 WeakPolarHBondContact O-CB 3.48Å
116	K	64	Low	58.9	Low	102 Å²	102	84 Å²	84	44%	0.443	42%	0.421	S	S	.	.	H	α-helix	trans	-54.3	-43.8	-178.9	-178.5	-177.5	176.3	-176.4	0	112	A112 L113 N122	A112-K116 WeakPolarHBondContact O-CB 3.49Å; A112-K116 PolarHBondContact O-N 3.47Å; L113-K116 PolarHBondContact O-N 3.45Å; K116-N122 PolarHBondContact O-ND2 3.18Å
117	N	56.8	Low	58.9	Low	124 Å²	124	85.6 Å²	85.6	66%	0.663	42%	0.424	S	S	*	.	H	α-helix	trans	-91.4	-10.4	-174.4	-65.8	-28.8	0	0	0	113.9	L113 Y114 I115 S119	L113-N117 PolarHBondContact O-N 3Å; L113-N117 VanDerWaalsContact O-N 3.17Å; L113-N117 PolarHBondContact O-ND2 3.02Å; Y114-N117 PolarHBondContact O-N 3.02Å; I115-N117 VanDerWaalsContact C-N 3.27Å; I115-N117 PolarHBondContact O-N 3.26Å; N117-S119 PolarHBondContact O-N 2.85Å
118	N	56.2	Low	58.8	Low	30 Å²	30	83 Å²	83	16%	0.16	43%	0.425	C	S	.	.			trans	-85.1	102.2	178.9	-173.4	-30.3	0	0	0	110.4	Y114 I115 T120 I121 N122	Y114-N118 WeakPolarHBondContact O-CB 3.44Å; Y114-N118 PolarHBondContact O-N 3.49Å; Y114-N118 PolarHBondContact OH-ND2 2.83Å; I115-N118 PolarHBondContact O-N 2.95Å; N118-T120 PolarHBondContact O-N 2.97Å; N118-T120 VanDerWaalsContact O-N 3.13Å; N118-T120 WeakPolarHBondContact OD1-CB 3.46Å; N118-T120 PolarHBondContact OD1-N 2.9Å; N118-T120 PolarHBondContact OD1-OG1 3.23Å; N118-I121 HydrophobicContact CB-CB 4.38Å; N118-I121 HydrophobicContact CB-CD1 4.22Å; N118-I121 HydrophobicContact CB-CG1 4.32Å; N118-I121 PolarHBondContact O-N 2.9Å; N118-N122 PolarHBondContact O-N 3.05Å
119	S	65.6	Low	59.1	Low	85 Å²	85	82.3 Å²	82.3	59%	0.594	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.9	-178.3	59.6	0	0	0	0	114.8	N117 R123	N117-S119 PolarHBondContact O-N 2.85Å; S119-R123 VanDerWaalsContact O-CA 3.27Å; S119-R123 WeakPolarHBondContact O-CA 3.4Å; S119-R123 WeakPolarHBondContact O-CG 3.44Å
120	T	61.5	Low	59.1	Low	98 Å²	98	81.7 Å²	81.7	60%	0.601	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-30.5	174.6	66.7	0	0	0	0	112.2	N118 R123	N118-T120 PolarHBondContact O-N 2.97Å; N118-T120 VanDerWaalsContact O-N 3.13Å; N118-T120 WeakPolarHBondContact OD1-CB 3.46Å; N118-T120 PolarHBondContact OD1-N 2.9Å; N118-T120 PolarHBondContact OD1-OG1 3.23Å; T120-R123 PolarHBondContact O-NE 3.13Å
121	I	52.9	Low	59.5	Low	100 Å²	100	81.7 Å²	81.7	51%	0.513	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-49.9	-178.6	-55.8	177.7	0	0	0	109.8	Y114 I115 N118	Y114-I121 HydrophobicContact CE1-CD1 4.28Å; I115-I121 HydrophobicContact CG2-CG2 3.97Å; N118-I121 HydrophobicContact CB-CB 4.38Å; N118-I121 HydrophobicContact CB-CD1 4.22Å; N118-I121 HydrophobicContact CB-CG1 4.32Å; N118-I121 PolarHBondContact O-N 2.9Å
122	N	56.4	Low	59.8	Low	25 Å²	25	81 Å²	81	13%	0.134	43%	0.433	C	S	.	.	S	Bend	trans	-102.3	66.8	178.5	-171.7	23.5	0	0	0	110.3	I115 K116 N118 D124 N125 G126	I115-N122 WeakPolarHBondContact O-CB 3.48Å; K116-N122 PolarHBondContact O-ND2 3.18Å; N118-N122 PolarHBondContact O-N 3.05Å; N122-D124 PolarHBondContact O-N 3.11Å; N122-D124 PolarHBondContact OD1-OD1 3.02Å; N122-N125 WeakPolarHBondContact ND2-CA 3.49Å; N122-N125 PolarHBondContact O-N 3.13Å; N122-N125 VanDerWaalsContact O-N 3.16Å; N122-N125 PolarHBondContact OD1-N 3.01Å; N122-G126 PolarHBondContact OD1-N 3.02Å
123	R	60.8	Low	59.9	Low	212 Å²	212	82.9 Å²	82.9	80%	0.8	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-33.1	-171.5	-66.8	-178.2	-176.1	173.5	-1.6	113.8	S119 T120	S119-R123 VanDerWaalsContact O-CA 3.27Å; S119-R123 WeakPolarHBondContact O-CA 3.4Å; S119-R123 WeakPolarHBondContact O-CG 3.44Å; T120-R123 PolarHBondContact O-NE 3.13Å
124	D	66.1	Low	60	Low	63 Å²	63	81 Å²	81	34%	0.337	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	11.7	-177.2	73.2	-28.8	0	0	0	112.6	N122 G126 I127 A128	N122-D124 PolarHBondContact O-N 3.11Å; N122-D124 PolarHBondContact OD1-OD1 3.02Å; D124-G126 PolarHBondContact O-N 3.43Å; D124-G126 PolarHBondContact OD1-N 3.32Å; D124-G126 VanDerWaalsContact OD1-N 3.16Å; D124-I127 HydrophobicContact CB-CB 4.39Å; D124-I127 VanDerWaalsContact O-CB 3.29Å; D124-I127 WeakPolarHBondContact O-CB 3.42Å; D124-I127 VanDerWaalsContact O-CD1 3.27Å; D124-I127 WeakPolarHBondContact O-CD1 3.47Å; D124-I127 WeakPolarHBondContact O-CG1 3.41Å; D124-I127 PolarHBondContact O-N 3.21Å; D124-I127 PolarHBondContact OD2-N 3.1Å; D124-A128 VanDerWaalsContact OD2-CB 3.25Å; D124-A128 WeakPolarHBondContact OD2-CB 3.49Å; D124-A128 PolarHBondContact OD2-N 3.32Å
125	N	66.1	Low	60.5	Low	118 Å²	118	76.4 Å²	76.4	63%	0.631	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	23.4	-175.2	-64.4	-50.9	0	0	0	114.3	N122	N122-N125 WeakPolarHBondContact ND2-CA 3.49Å; N122-N125 PolarHBondContact O-N 3.13Å; N122-N125 VanDerWaalsContact O-N 3.16Å; N122-N125 PolarHBondContact OD1-N 3.01Å
126	G	62.9	Low	60.5	Low	17 Å²	17	73.9 Å²	73.9	18%	0.175	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	19.5	-176.5	0	0	0	0	0	114.5	N122 D124 A129 S130	N122-G126 PolarHBondContact OD1-N 3.02Å; D124-G126 PolarHBondContact O-N 3.43Å; D124-G126 PolarHBondContact OD1-N 3.32Å; D124-G126 VanDerWaalsContact OD1-N 3.16Å; G126-A129 PolarHBondContact O-N 2.98Å; G126-S130 WeakPolarHBondContact O-CB 3.48Å; G126-S130 PolarHBondContact O-N 2.9Å; G126-S130 PolarHBondContact O-OG 3.02Å
127	I	62.4	Low	60.1	Low	92 Å²	92	70 Å²	70	47%	0.472	40%	0.397	S	S	.	.	H	α-helix	trans	-56	-49.8	174.9	-73.6	164.7	0	0	0	110.4	D124 A129 S130 E131	D124-I127 HydrophobicContact CB-CB 4.39Å; D124-I127 VanDerWaalsContact O-CB 3.29Å; D124-I127 WeakPolarHBondContact O-CB 3.42Å; D124-I127 VanDerWaalsContact O-CD1 3.27Å; D124-I127 WeakPolarHBondContact O-CD1 3.47Å; D124-I127 WeakPolarHBondContact O-CG1 3.41Å; D124-I127 PolarHBondContact O-N 3.21Å; D124-I127 PolarHBondContact OD2-N 3.1Å; I127-A129 VanDerWaalsContact C-N 3.31Å; I127-A129 PolarHBondContact O-N 3.47Å; I127-S130 WeakPolarHBondContact O-CB 3.43Å; I127-S130 PolarHBondContact O-N 3.06Å; I127-S130 VanDerWaalsContact O-N 3.08Å; I127-E131 HydrophobicContact CG2-CG 4.17Å; I127-E131 WeakPolarHBondContact O-CG 3.43Å; I127-E131 PolarHBondContact O-N 3.28Å
128	A	62.6	Low	60.3	Low	52 Å²	52	68 Å²	68	43%	0.43	39%	0.386	S	S	.	.	H	α-helix	trans	-62.6	-38.4	-177	0	0	0	0	0	112.6	D124 A132	D124-A128 VanDerWaalsContact OD2-CB 3.25Å; D124-A128 WeakPolarHBondContact OD2-CB 3.49Å; D124-A128 PolarHBondContact OD2-N 3.32Å; A128-A132 PolarHBondContact O-N 2.91Å
129	A	60.5	Low	60.8	Low	32 Å²	32	71.5 Å²	71.5	26%	0.264	40%	0.401	S	S	.	.	H	α-helix	trans	-66.3	-42.1	175.3	0	0	0	0	0	111.3	G126 I127 A132 W133	G126-A129 PolarHBondContact O-N 2.98Å; I127-A129 VanDerWaalsContact C-N 3.31Å; I127-A129 PolarHBondContact O-N 3.47Å; A129-A132 PolarHBondContact O-N 3.43Å; A129-W133 VanDerWaalsContact O-CD1 3.27Å; A129-W133 PolarHBondContact O-N 2.99Å; A129-W133 VanDerWaalsContact O-N 3.13Å
130	S	58	Low	60.8	Low	50 Å²	50	71.8 Å²	71.8	35%	0.35	39%	0.391	S	S	.	.	H	α-helix	trans	-65.2	-41.1	178.1	-55.6	0	0	0	0	111.6	G126 I127 W133 A134	G126-S130 WeakPolarHBondContact O-CB 3.48Å; G126-S130 PolarHBondContact O-N 2.9Å; G126-S130 PolarHBondContact O-OG 3.02Å; I127-S130 WeakPolarHBondContact O-CB 3.43Å; I127-S130 PolarHBondContact O-N 3.06Å; I127-S130 VanDerWaalsContact O-N 3.08Å; S130-W133 PolarHBondContact O-N 3.34Å; S130-A134 WeakPolarHBondContact O-CB 3.4Å; S130-A134 PolarHBondContact O-N 3.11Å
131	E	62.1	Low	60.8	Low	127 Å²	127	74.7 Å²	74.7	59%	0.593	40%	0.398	S	S	*	.	H	α-helix	trans	-62.9	-43.6	175.5	-74.3	177.7	166.3	0	0	112.2	I127 W133 A134 A135	I127-E131 HydrophobicContact CG2-CG 4.17Å; I127-E131 WeakPolarHBondContact O-CG 3.43Å; I127-E131 PolarHBondContact O-N 3.28Å; E131-W133 VanDerWaalsContact C-N 3.3Å; E131-W133 PolarHBondContact O-N 3.26Å; E131-A134 PolarHBondContact O-N 3.01Å; E131-A135 WeakPolarHBondContact O-CB 3.48Å; E131-A135 PolarHBondContact O-N 2.98Å
132	A	61.4	Low	60.9	Low	41 Å²	41	73.6 Å²	73.6	34%	0.339	40%	0.398	S	S	.	.	H	α-helix	trans	-61.6	-39.3	176	0	0	0	0	0	112	F12 A128 A129 L136	F12-A132 HydrophobicContact CD2-CB 4.46Å; A128-A132 PolarHBondContact O-N 2.91Å; A129-A132 PolarHBondContact O-N 3.43Å; A132-L136 PolarHBondContact O-N 3.22Å; A132-L136 VanDerWaalsContact O-N 3.17Å
133	W	57.5	Low	60.3	Low	60 Å²	60	74.1 Å²	74.1	23%	0.227	40%	0.404	C	S	.	.	H	α-helix	trans	-69.3	-40.1	173.7	-85.5	111.3	0	0	0	113	F12 Y33 I35 A129 S130 E131 A135 L136 I137	F12-W133 AromaticContact CE2-CD1 3.93Å; F12-W133 AromaticContact CE2-NE1 3.51Å; F12-W133 AromaticContact CZ-NE1 3.52Å; Y33-W133 AromaticContact CD1-NE1 3.98Å; Y33-W133 AromaticContact CD2-NE1 3.91Å; Y33-W133 HydrophobicContact CE1-CZ2 4.07Å; Y33-W133 HydrophobicContact CE2-CD2 4.3Å; Y33-W133 AromaticContact CE2-CE2 3.89Å; Y33-W133 HydrophobicContact CE2-CZ2 4.11Å; Y33-W133 AromaticContact CG-NE1 3.91Å; Y33-W133 AromaticContact CZ-CE2 3.84Å; Y33-W133 AromaticContact CZ-CZ2 3.65Å; I35-W133 HydrophobicContact CD1-CB 4.1Å; I35-W133 HydrophobicContact CD1-CD2 4Å; I35-W133 HydrophobicContact CD1-CE3 3.97Å; I35-W133 HydrophobicContact CD1-CG 4.07Å; I35-W133 HydrophobicContact CG1-CB 4.37Å; A129-W133 VanDerWaalsContact O-CD1 3.27Å; A129-W133 PolarHBondContact O-N 2.99Å; A129-W133 VanDerWaalsContact O-N 3.13Å; S130-W133 PolarHBondContact O-N 3.34Å; E131-W133 VanDerWaalsContact C-N 3.3Å; E131-W133 PolarHBondContact O-N 3.26Å; W133-A135 VanDerWaalsContact C-N 3.31Å; W133-A135 PolarHBondContact O-N 3.3Å; W133-L136 HydrophobicContact CD2-CD1 4.27Å; W133-L136 HydrophobicContact CE3-CB 4.47Å; W133-L136 HydrophobicContact CE3-CD1 3.79Å; W133-L136 HydrophobicContact CZ3-CD1 4Å; W133-L136 WeakPolarHBondContact O-CB 3.48Å; W133-L136 PolarHBondContact O-N 2.85Å; W133-I137 WeakPolarHBondContact O-CG1 3.5Å; W133-I137 PolarHBondContact O-N 3.25Å
134	A	59.4	Low	59.7	Low	43 Å²	43	68.7 Å²	68.7	36%	0.355	40%	0.404	S	S	.	.	H	α-helix	trans	-61.1	-42.2	174.6	0	0	0	0	0	111.1	S130 E131 L136 I137 N138	S130-A134 WeakPolarHBondContact O-CB 3.4Å; S130-A134 PolarHBondContact O-N 3.11Å; E131-A134 PolarHBondContact O-N 3.01Å; A134-L136 VanDerWaalsContact C-N 3.32Å; A134-L136 PolarHBondContact O-N 2.84Å; A134-I137 PolarHBondContact O-N 2.9Å; A134-N138 WeakPolarHBondContact O-CB 3.46Å; A134-N138 PolarHBondContact O-N 2.96Å; A134-N138 PolarHBondContact O-ND2 3.42Å
135	A	60.2	Low	58.6	Low	59 Å²	59	69.3 Å²	69.3	49%	0.488	41%	0.407	S	S	.	.	H	α-helix	trans	-60.7	-40.9	175.3	0	0	0	0	0	112.2	E131 W133 K139	E131-A135 WeakPolarHBondContact O-CB 3.48Å; E131-A135 PolarHBondContact O-N 2.98Å; W133-A135 VanDerWaalsContact C-N 3.31Å; W133-A135 PolarHBondContact O-N 3.3Å; A135-K139 WeakPolarHBondContact O-CB 3.36Å; A135-K139 PolarHBondContact O-N 3.15Å
136	L	57.4	Low	57.2	Low	22 Å²	22	69.5 Å²	69.5	12%	0.115	41%	0.407	C	S	.	.	H	α-helix	trans	-60.3	-51.1	172.1	-80.9	167.7	0	0	0	111.4	I8 A132 W133 A134 N138 K139 F140	I8-L136 HydrophobicContact CB-CD2 3.81Å; I8-L136 HydrophobicContact CD1-CD2 3.84Å; I8-L136 HydrophobicContact CG1-CD2 4.43Å; I8-L136 HydrophobicContact CG2-CD1 4.04Å; I8-L136 HydrophobicContact CG2-CD2 3.33Å; I8-L136 HydrophobicContact CG2-CG 3.68Å; A132-L136 PolarHBondContact O-N 3.22Å; A132-L136 VanDerWaalsContact O-N 3.17Å; W133-L136 HydrophobicContact CD2-CD1 4.27Å; W133-L136 HydrophobicContact CE3-CB 4.47Å; W133-L136 HydrophobicContact CE3-CD1 3.79Å; W133-L136 HydrophobicContact CZ3-CD1 4Å; W133-L136 WeakPolarHBondContact O-CB 3.48Å; W133-L136 PolarHBondContact O-N 2.85Å; A134-L136 VanDerWaalsContact C-N 3.32Å; A134-L136 PolarHBondContact O-N 2.84Å; L136-N138 PolarHBondContact O-N 3.19Å; L136-K139 PolarHBondContact O-N 3.29Å; L136-F140 HydrophobicContact CD2-CD2 4.09Å; L136-F140 HydrophobicContact CD2-CE2 3.59Å; L136-F140 WeakPolarHBondContact O-CD2 3.39Å; L136-F140 PolarHBondContact O-N 3.19Å
137	I	54.9	Low	55.9	Low	20 Å²	20	78.9 Å²	78.9	10%	0.103	45%	0.453	C	S	.	.	H	α-helix	trans	-60	-46.6	-178.1	-75.3	164.9	0	0	0	111.6	I35 Y37 W133 A134 K139 F140 Q141 C142	I35-I137 HydrophobicContact CB-CD1 4.37Å; I35-I137 HydrophobicContact CD1-CD1 3.97Å; I35-I137 HydrophobicContact CG1-CD1 4.49Å; I35-I137 HydrophobicContact CG2-CD1 3.12Å; Y37-I137 HydrophobicContact CE1-CD1 4.16Å; Y37-I137 HydrophobicContact CE1-CG2 4.41Å; W133-I137 WeakPolarHBondContact O-CG1 3.5Å; W133-I137 PolarHBondContact O-N 3.25Å; A134-I137 PolarHBondContact O-N 2.9Å; I137-K139 VanDerWaalsContact C-N 3.32Å; I137-K139 PolarHBondContact O-N 2.92Å; I137-F140 CarbonylContact O-C 3.6Å; I137-F140 PolarHBondContact O-N 3.43Å; I137-Q141 WeakPolarHBondContact O-CA 3.32Å; I137-Q141 PolarHBondContact O-N 3.21Å; I137-C142 HydrophobicContact CB-CB 4.43Å; I137-C142 HydrophobicContact CG1-CB 4.26Å; I137-C142 HydrophobicContact CG2-CB 4.16Å; I137-C142 PolarHBondContact O-N 2.96Å
138	N	60.7	Low	55.6	Low	81 Å²	81	78.2 Å²	78.2	43%	0.433	45%	0.452	S	S	.	.	H	α-helix	trans	-62.4	-43	178.7	-67.9	-13	0	0	0	110.7	A134 L136 Q141 L146	A134-N138 WeakPolarHBondContact O-CB 3.46Å; A134-N138 PolarHBondContact O-N 2.96Å; A134-N138 PolarHBondContact O-ND2 3.42Å; L136-N138 PolarHBondContact O-N 3.19Å; N138-Q141 PolarHBondContact O-N 3.05Å; N138-L146 WeakPolarHBondContact OD1-CD1 3.49Å
139	K	67	Low	55.3	Low	105 Å²	105	79.6 Å²	79.6	46%	0.457	45%	0.454	S	S	.	.	H	α-helix	trans	-65.4	-40.8	179.7	-178.5	170.2	-177.5	173.1	0	112.7	Q4 I8 A135 L136 I137 Q141	Q4-K139 VanDerWaalsContact OE1-CE 3.3Å; I8-K139 HydrophobicContact CD1-CD 3.86Å; A135-K139 WeakPolarHBondContact O-CB 3.36Å; A135-K139 PolarHBondContact O-N 3.15Å; L136-K139 PolarHBondContact O-N 3.29Å; I137-K139 VanDerWaalsContact C-N 3.32Å; I137-K139 PolarHBondContact O-N 2.92Å; K139-Q141 VanDerWaalsContact C-N 3.29Å
140	F	65.9	Low	55	Low	91 Å²	91	82.2 Å²	82.2	40%	0.399	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	2.9	-179.7	-69.7	-66.7	0	0	0	112.9	A5 L136 I137 C142	A5-F140 HydrophobicContact CB-CZ 3.93Å; L136-F140 HydrophobicContact CD2-CD2 4.09Å; L136-F140 HydrophobicContact CD2-CE2 3.59Å; L136-F140 WeakPolarHBondContact O-CD2 3.39Å; L136-F140 PolarHBondContact O-N 3.19Å; I137-F140 CarbonylContact O-C 3.6Å; I137-F140 PolarHBondContact O-N 3.43Å; F140-C142 WeakPolarHBondContact CB-SG 3.25Å; F140-C142 PolarHBondContact O-N 3.1Å
141	Q	61.4	Low	54.8	Low	158 Å²	158	84.1 Å²	84.1	74%	0.738	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.9	38.5	-173.5	-62.3	-179.1	-20.5	0	0	111.2	I137 N138 K139 C143	I137-Q141 WeakPolarHBondContact O-CA 3.32Å; I137-Q141 PolarHBondContact O-N 3.21Å; N138-Q141 PolarHBondContact O-N 3.05Å; K139-Q141 VanDerWaalsContact C-N 3.29Å; Q141-C143 CarbonylContact O-C 3.58Å; Q141-C143 PolarHBondContact O-N 3.22Å
142	C	55.2	Low	54.3	Low	77 Å²	77	81.4 Å²	81.4	52%	0.52	46%	0.463	S	S	.	.	S	Bend	trans	-57.6	-23.5	-172.8	-71.1	0	0	0	0	111.3	I137 F140	I137-C142 HydrophobicContact CB-CB 4.43Å; I137-C142 HydrophobicContact CG1-CB 4.26Å; I137-C142 HydrophobicContact CG2-CB 4.16Å; I137-C142 PolarHBondContact O-N 2.96Å; F140-C142 WeakPolarHBondContact CB-SG 3.25Å; F140-C142 PolarHBondContact O-N 3.1Å
143	C	44.5	Very low	53.8	Low	37 Å²	37	84.1 Å²	84.1	25%	0.25	47%	0.471	C	S	.	.			trans	-138.7	125.5	157.7	-66.6	0	0	0	0	109.6	Y37 Q141 L145	Y37-C143 HydrophobicContact CD1-CB 3.78Å; Y37-C143 WeakPolarHBondContact CD1-SG 3.36Å; Y37-C143 HydrophobicContact CE1-CB 4.28Å; Y37-C143 WeakPolarHBondContact CE1-SG 3.47Å; Q141-C143 CarbonylContact O-C 3.58Å; Q141-C143 PolarHBondContact O-N 3.22Å; C143-L145 HydrophobicContact CB-CB 3.78Å; C143-L145 HydrophobicContact CB-CD1 3.81Å; C143-L145 HydrophobicContact CB-CG 4.03Å; C143-L145 PolarHBondContact O-N 3.47Å
144	A	47.4	Very low	53.6	Low	98 Å²	98	85.9 Å²	85.9	81%	0.81	49%	0.489	S	S	*	.	S	Bend	trans	-65.2	43.8	157.6	0	0	0	0	0	111.7
145	L	42.7	Very low	53.1	Low	75 Å²	75	89.2 Å²	89.2	39%	0.393	50%	0.499	S	S	.	.			trans	-129.7	65.2	-176.3	-61.4	160.2	0	0	0	106.4	G38 C39 C143	G38-L145 WeakPolarHBondContact CA-O 3.47Å; G38-L145 PolarHBondContact N-O 3.3Å; C39-L145 HydrophobicContact CB-CB 4.24Å; C39-L145 HydrophobicContact CB-CD1 3.4Å; C39-L145 VanDerWaalsContact CB-CD1 3.4Å; C39-L145 HydrophobicContact CB-CD2 3.91Å; C39-L145 HydrophobicContact CB-CG 4.02Å; C39-L145 VanDerWaalsContact SG-CD1 3.54Å; C143-L145 HydrophobicContact CB-CB 3.78Å; C143-L145 HydrophobicContact CB-CD1 3.81Å; C143-L145 HydrophobicContact CB-CG 4.03Å; C143-L145 PolarHBondContact O-N 3.47Å
146	L	37.8	Very low	52.5	Low	122 Å²	122	91.7 Å²	91.7	64%	0.639	50%	0.5	S	S	*	.			trans	-120.1	28.9	168.8	-114.9	-175.6	0	0	0	110.1	N138	N138-L146 WeakPolarHBondContact OD1-CD1 3.49Å
147	N	35.8	Very low	52.1	Low	214 Å²	214	98 Å²	98	100%	1.144	54%	0.535	S	S	*	.			trans	-116.8	0	175	-64.5	4.4	0	0	0	109.3

Retrieved 147 of 147 residues in 89.4 ms (Link to these results)

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