A0A077ZDE7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZDE7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 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	45.3	Very low	43.5	Very low	184 Å²	184	101.6 Å²	101.6	91%	0.906	52%	0.519	S	S	*	.				0	-21.5	0	-150.5	178.5	-149.4	0	0	114.5	V3	M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.23Å
2	F	35.2	Very low	43.4	Very low	182 Å²	182	102.4 Å²	102.4	80%	0.798	52%	0.519	S	S	*	.	H	α-helix	trans	-66.9	-30.9	176.9	-72.5	-86.7	0	0	0	113.9	V4 R5 A6	F2-V4 PolarHBondContact O-N 2.89Å; F2-R5 PolarHBondContact O-N 2.99Å; F2-A6 PolarHBondContact O-N 3.38Å
3	V	42.5	Very low	43.4	Very low	49 Å²	49	99.7 Å²	99.7	30%	0.297	53%	0.532	S	S	.	.	H	α-helix	trans	-63.9	-41.6	-174.1	-147.4	0	0	0	0	112.8	M1 R5 A6 A7 I51	M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.23Å; V3-R5 VanDerWaalsContact C-N 3.33Å; V3-R5 PolarHBondContact O-N 2.86Å; V3-A6 PolarHBondContact O-N 3.36Å; V3-A7 PolarHBondContact O-N 2.95Å; V3-I51 HydrophobicContact CB-CD1 4.24Å; V3-I51 HydrophobicContact CG1-CD1 3.87Å; V3-I51 HydrophobicContact CG2-CD1 3.42Å; V3-I51 VanDerWaalsContact CG2-CD1 3.42Å
4	V	39.8	Very low	43.3	Very low	112 Å²	112	102.6 Å²	102.6	68%	0.679	53%	0.532	S	S	*	.	H	α-helix	trans	-70.3	-32.4	179.4	-176.3	0	0	0	0	111.4	F2 L8	F2-V4 PolarHBondContact O-N 2.89Å; V4-L8 VanDerWaalsContact O-CB 3.31Å; V4-L8 WeakPolarHBondContact O-CB 3.38Å; V4-L8 PolarHBondContact O-N 2.81Å; V4-L8 VanDerWaalsContact O-N 3.12Å
5	R	38.7	Very low	43	Very low	167 Å²	167	105.7 Å²	105.7	63%	0.63	55%	0.55	S	S	*	.	H	α-helix	trans	-71.4	-38.9	175.2	-86.8	-168.5	173.9	-139.7	5.2	112.5	F2 V3 L9	F2-R5 PolarHBondContact O-N 2.99Å; V3-R5 VanDerWaalsContact C-N 3.33Å; V3-R5 PolarHBondContact O-N 2.86Å; R5-L9 WeakPolarHBondContact O-CB 3.42Å; R5-L9 PolarHBondContact O-N 3.42Å
6	A	44.2	Very low	43	Very low	45 Å²	45	105.1 Å²	105.1	37%	0.372	54%	0.542	S	S	.	.	H	α-helix	trans	-65	-48.4	176.6	0	0	0	0	0	111.1	F2 V3 L8 L9 E10	F2-A6 PolarHBondContact O-N 3.38Å; V3-A6 PolarHBondContact O-N 3.36Å; A6-L8 VanDerWaalsContact C-N 3.3Å; A6-L8 PolarHBondContact O-N 2.83Å; A6-L9 PolarHBondContact O-N 2.79Å; A6-E10 PolarHBondContact O-N 3.5Å
7	A	44.3	Very low	42.8	Very low	17 Å²	17	105.4 Å²	105.4	14%	0.14	55%	0.545	C	S	.	.	H	α-helix	trans	-61.3	-36.8	178	0	0	0	0	0	112.8	V3 V11	V3-A7 PolarHBondContact O-N 2.95Å; A7-V11 WeakPolarHBondContact O-CG2 3.35Å; A7-V11 PolarHBondContact O-N 3.03Å
8	L	48.2	Very low	43	Very low	88 Å²	88	106.4 Å²	106.4	46%	0.461	56%	0.556	S	S	.	*	H	α-helix	trans	-73.2	-37.8	178.7	-160	71.1	0	0	0	112.5	V4 A6 E10 V11 E12 L88	V4-L8 VanDerWaalsContact O-CB 3.31Å; V4-L8 WeakPolarHBondContact O-CB 3.38Å; V4-L8 PolarHBondContact O-N 2.81Å; V4-L8 VanDerWaalsContact O-N 3.12Å; A6-L8 VanDerWaalsContact C-N 3.3Å; A6-L8 PolarHBondContact O-N 2.83Å; L8-E10 VanDerWaalsContact C-N 3.34Å; L8-V11 PolarHBondContact O-N 3.49Å; L8-E12 WeakPolarHBondContact O-CB 3.5Å; L8-E12 PolarHBondContact O-N 3.39Å; L8-L88 HydrophobicContact CD2-CD2 3.83Å
9	L	45.8	Very low	43	Very low	117 Å²	117	109 Å²	109	61%	0.613	56%	0.562	S	S	*	*	H	α-helix	trans	-66.1	-35.6	174.8	-94	162.5	0	0	0	112.4	R5 A6 V11 E12 G13	R5-L9 WeakPolarHBondContact O-CB 3.42Å; R5-L9 PolarHBondContact O-N 3.42Å; A6-L9 PolarHBondContact O-N 2.79Å; L9-V11 VanDerWaalsContact C-N 3.29Å; L9-V11 PolarHBondContact O-N 3.17Å; L9-E12 PolarHBondContact O-N 3.31Å; L9-G13 PolarHBondContact O-N 3.27Å
10	E	46.9	Very low	42.9	Very low	99 Å²	99	111.2 Å²	111.2	46%	0.463	58%	0.575	S	S	.	*	H	α-helix	trans	-74.4	-22.9	-179.6	-146.2	171.2	132.1	0	0	113.1	A6 L8 R14	A6-E10 PolarHBondContact O-N 3.5Å; L8-E10 VanDerWaalsContact C-N 3.34Å; E10-R14 PolarHBondContact O-NE 3.12Å; E10-R14 IonicContact OE1-CZ 2.75Å; E10-R14 IonicContact OE1-NH2 3.89Å; E10-R14 PolarHBondContact OE1-NH2 3.33Å
11	V	47.5	Very low	42.9	Very low	58 Å²	58	114.1 Å²	114.1	35%	0.352	58%	0.578	S	S	.	*	H	α-helix	trans	-81.1	-36.3	168.8	177	0	0	0	0	111.1	A7 L8 L9	A7-V11 WeakPolarHBondContact O-CG2 3.35Å; A7-V11 PolarHBondContact O-N 3.03Å; L8-V11 PolarHBondContact O-N 3.49Å; L9-V11 VanDerWaalsContact C-N 3.29Å; L9-V11 PolarHBondContact O-N 3.17Å
12	E	42.6	Very low	42.9	Very low	111 Å²	111	114.9 Å²	114.9	52%	0.519	58%	0.577	S	S	.	*	H	α-helix	trans	-71	-30.7	176.5	-164.2	-180	146.9	0	0	112.5	L8 L9 K91	L8-E12 WeakPolarHBondContact O-CB 3.5Å; L8-E12 PolarHBondContact O-N 3.39Å; L9-E12 PolarHBondContact O-N 3.31Å; E12-K91 IonicContact OE1-NZ 3.99Å; E12-K91 PolarHBondContact OE1-NZ 3.43Å
13	G	43.6	Very low	43.1	Very low	67 Å²	67	115.9 Å²	115.9	69%	0.691	58%	0.584	S	S	*	*	S	Bend	trans	-82.5	-13.5	-178.2	0	0	0	0	0	115.6	L9 N15	L9-G13 PolarHBondContact O-N 3.27Å; G13-N15 PolarHBondContact O-N 3.23Å
14	R	41.8	Very low	43.2	Very low	141 Å²	141	116 Å²	116	53%	0.532	60%	0.595	S	S	.	*			trans	-93.7	89.9	174.3	-66.4	-175.6	-140.4	-157.5	3.4	108.4	E10 F16	E10-R14 PolarHBondContact O-NE 3.12Å; E10-R14 IonicContact OE1-CZ 2.75Å; E10-R14 IonicContact OE1-NH2 3.89Å; E10-R14 PolarHBondContact OE1-NH2 3.33Å; R14-F16 VanDerWaalsContact C-N 3.29Å; R14-F16 HydrophobicContact CB-CE2 4.34Å; R14-F16 WeakPolarHBondContact O-CD2 3.26Å; R14-F16 PolarHBondContact O-N 3.24Å
15	N	38.9	Very low	43.5	Very low	148 Å²	148	117.9 Å²	117.9	79%	0.791	60%	0.602	S	S	*	*			trans	-55.4	97.9	164.2	-172	14.7	0	0	0	107.3	G13 D17	G13-N15 PolarHBondContact O-N 3.23Å; N15-D17 PolarHBondContact O-N 3.06Å
16	F	43	Very low	43.8	Very low	97 Å²	97	117.8 Å²	117.8	43%	0.425	61%	0.613	S	S	.	*			trans	-69.2	94.4	170.2	-82.5	-85.8	0	0	0	105.4	R14 V18 K39	R14-F16 VanDerWaalsContact C-N 3.29Å; R14-F16 HydrophobicContact CB-CE2 4.34Å; R14-F16 WeakPolarHBondContact O-CD2 3.26Å; R14-F16 PolarHBondContact O-N 3.24Å; F16-V18 PolarHBondContact O-N 3.14Å; F16-K39 HydrophobicContact CE1-CD 4.03Å; F16-K39 HydrophobicContact CZ-CD 3.97Å
17	D	39.8	Very low	44.1	Very low	110 Å²	110	124.5 Å²	124.5	59%	0.588	64%	0.637	S	S	*	*			trans	-59.5	95.2	169.3	-164.3	11.7	0	0	0	106.9	N15 K19	N15-D17 PolarHBondContact O-N 3.06Å; D17-K19 PolarHBondContact O-N 2.98Å; D17-K19 WeakPolarHBondContact OD1-CB 3.44Å; D17-K19 WeakPolarHBondContact OD1-CD 3.46Å; D17-K19 WeakPolarHBondContact OD2-CD 3.22Å
18	V	45.6	Very low	44.1	Very low	123 Å²	123	125.2 Å²	125.2	75%	0.745	65%	0.647	S	S	*	*			trans	-78.1	57.2	165.6	-176.1	0	0	0	0	106.3	F16	F16-V18 PolarHBondContact O-N 3.14Å
19	K	43.4	Very low	43.9	Very low	156 Å²	156	123.6 Å²	123.6	68%	0.678	65%	0.651	S	S	*	*			trans	-89.7	136.6	161.8	-118.9	159.3	163.6	173.1	0	106.2	D17	D17-K19 PolarHBondContact O-N 2.98Å; D17-K19 WeakPolarHBondContact OD1-CB 3.44Å; D17-K19 WeakPolarHBondContact OD1-CD 3.46Å; D17-K19 WeakPolarHBondContact OD2-CD 3.22Å
20	D	41.1	Very low	43.8	Very low	153 Å²	153	125.2 Å²	125.2	82%	0.818	66%	0.66	S	S	*	*			trans	76	67	-173.5	-66.2	-75.2	0	0	0	115.8
21	R	43.1	Very low	43.7	Very low	172 Å²	172	130 Å²	130	65%	0.649	67%	0.674	S	S	*	*			trans	-129.4	98.4	137.5	-76.8	-156.7	-176.5	177.8	2.5	110.6	Q23	R21-Q23 PolarHBondContact O-N 3.43Å
22	K	45.6	Very low	43.7	Very low	200 Å²	200	130.2 Å²	130.2	87%	0.87	68%	0.675	S	S	*	*			trans	-50.9	130.3	155.9	-83.2	-166	173	-174.9	0	108.8	G24	K22-G24 PolarHBondContact O-N 3.28Å
23	Q	38	Very low	43.9	Very low	203 Å²	203	127.3 Å²	127.3	95%	0.949	67%	0.67	S	S	*	*	S	Bend	trans	-48	114.6	164.5	-163.4	85.7	29.5	0	0	108.8	R21	R21-Q23 PolarHBondContact O-N 3.43Å
24	G	44.3	Very low	44	Very low	52 Å²	52	125.3 Å²	125.3	54%	0.536	65%	0.65	S	S	.	*			trans	178.3	103.1	-179.2	0	0	0	0	0	111.1	K22	K22-G24 PolarHBondContact O-N 3.28Å
25	D	47.3	Very low	44.6	Very low	152 Å²	152	121.6 Å²	121.6	81%	0.813	64%	0.643	S	S	*	*			trans	71.1	94.4	149.3	-49	-70.4	0	0	0	117.9	E27	D25-E27 PolarHBondContact O-N 3.47Å
26	D	44.5	Very low	45.3	Very low	164 Å²	164	116.5 Å²	116.5	88%	0.877	62%	0.615	S	S	*	*	S	Bend	trans	-8.2	73.6	144.6	-60.4	-84.1	0	0	0	119
27	E	51	Low	45.8	Very low	186 Å²	186	117 Å²	117	87%	0.869	62%	0.621	S	S	*	*	S	Bend	trans	-169.7	12.3	148.9	-119.3	-174.9	114.5	0	0	114.5	D25	D25-E27 PolarHBondContact O-N 3.47Å
28	G	44	Very low	46.4	Very low	33 Å²	33	119.4 Å²	119.4	34%	0.34	62%	0.622	S	S	.	*			trans	-98.3	-6.4	-169	0	0	0	0	0	117.1	N30 V32	G28-N30 PolarHBondContact O-N 2.97Å; G28-V32 WeakPolarHBondContact O-CG2 3.36Å
29	G	44.2	Very low	46.9	Very low	54 Å²	54	118.8 Å²	118.8	56%	0.557	61%	0.61	S	S	*	*	H	α-helix	trans	-66.9	-38.2	-166.6	0	0	0	0	0	115.5	R31	G29-R31 PolarHBondContact O-N 3.42Å
30	N	43.2	Very low	47.5	Very low	150 Å²	150	114.2 Å²	114.2	80%	0.802	60%	0.595	S	S	*	*	H	α-helix	trans	-76.9	-22.3	-176.5	-75.7	-1.6	0	0	0	113.6	G28 G34	G28-N30 PolarHBondContact O-N 2.97Å; N30-G34 PolarHBondContact O-N 3.35Å; N30-G34 VanDerWaalsContact O-N 3.17Å
31	R	44.7	Very low	48.2	Very low	201 Å²	201	109 Å²	109	76%	0.758	57%	0.566	S	S	*	*	H	α-helix	trans	-71.2	-37.6	177.7	-64	-176.9	-175.6	-108.6	0.5	111.2	G29 G34 V35	G29-R31 PolarHBondContact O-N 3.42Å; R31-G34 PolarHBondContact O-N 3.04Å; R31-V35 VanDerWaalsContact O-CG2 3.26Å; R31-V35 WeakPolarHBondContact O-CG2 3.39Å; R31-V35 PolarHBondContact O-N 3.16Å
32	V	47.9	Very low	48.8	Very low	62 Å²	62	104.9 Å²	104.9	38%	0.376	56%	0.56	S	S	.	*	H	α-helix	trans	-69.2	-42.7	179.6	-135.8	0	0	0	0	111	G28 G34 V35 L36	G28-V32 WeakPolarHBondContact O-CG2 3.36Å; V32-G34 PolarHBondContact O-N 3.38Å; V32-V35 PolarHBondContact O-N 2.71Å; V32-L36 WeakPolarHBondContact O-CB 3.32Å; V32-L36 PolarHBondContact O-N 3.47Å
33	A	46.9	Very low	49.1	Very low	50 Å²	50	96.4 Å²	96.4	41%	0.413	53%	0.527	S	S	.	.	H	α-helix	trans	-60.8	-43.4	175.4	0	0	0	0	0	112	L36 L37	A33-L36 PolarHBondContact O-N 2.92Å; A33-L37 WeakPolarHBondContact O-CB 3.32Å; A33-L37 PolarHBondContact O-N 3.27Å
34	G	46.6	Very low	49.7	Very low	25 Å²	25	89 Å²	89	26%	0.258	50%	0.498	S	S	.	.	H	α-helix	trans	-65.6	-36.8	176	0	0	0	0	0	113.7	N30 R31 V32 R38	N30-G34 PolarHBondContact O-N 3.35Å; N30-G34 VanDerWaalsContact O-N 3.17Å; R31-G34 PolarHBondContact O-N 3.04Å; V32-G34 PolarHBondContact O-N 3.38Å; G34-R38 WeakPolarHBondContact O-CB 3.49Å; G34-R38 WeakPolarHBondContact O-CG 3.46Å; G34-R38 PolarHBondContact O-N 3.41Å; G34-R38 VanDerWaalsContact O-N 3.09Å
35	V	54.4	Low	49.8	Very low	63 Å²	63	89.4 Å²	89.4	38%	0.382	49%	0.487	S	S	.	.	H	α-helix	trans	-68.2	-40.2	174.6	172.6	0	0	0	0	111	R31 V32 R38 K39	R31-V35 VanDerWaalsContact O-CG2 3.26Å; R31-V35 WeakPolarHBondContact O-CG2 3.39Å; R31-V35 PolarHBondContact O-N 3.16Å; V32-V35 PolarHBondContact O-N 2.71Å; V35-R38 PolarHBondContact O-N 2.75Å; V35-K39 PolarHBondContact O-N 2.87Å
36	L	52.6	Low	49.9	Very low	40 Å²	40	86.3 Å²	86.3	21%	0.209	47%	0.474	C	S	.	.	H	α-helix	trans	-68.6	-43.9	179.4	-163.2	81.3	0	0	0	111.8	V32 A33 R38 K39 V40 Y96	V32-L36 WeakPolarHBondContact O-CB 3.32Å; V32-L36 PolarHBondContact O-N 3.47Å; A33-L36 PolarHBondContact O-N 2.92Å; L36-R38 VanDerWaalsContact C-N 3.31Å; L36-R38 PolarHBondContact O-N 2.89Å; L36-K39 PolarHBondContact O-N 3.43Å; L36-K39 VanDerWaalsContact O-N 3.12Å; L36-V40 WeakPolarHBondContact O-CG2 3.15Å; L36-V40 PolarHBondContact O-N 3.12Å; L36-Y96 HydrophobicContact CD2-CD1 4.33Å; L36-Y96 HydrophobicContact CD2-CD2 4.22Å; L36-Y96 HydrophobicContact CD2-CE1 3.62Å; L36-Y96 HydrophobicContact CD2-CE2 3.47Å; L36-Y96 VanDerWaalsContact CD2-CE2 3.47Å; L36-Y96 WeakPolarHBondContact CD2-OH 3.15Å
37	L	54.1	Low	49.8	Very low	107 Å²	107	79.7 Å²	79.7	56%	0.56	44%	0.44	S	S	*	.	H	α-helix	trans	-59.7	-43.7	174.9	-172.5	66.5	0	0	0	110.6	A33 K39 V40 I41	A33-L37 WeakPolarHBondContact O-CB 3.32Å; A33-L37 PolarHBondContact O-N 3.27Å; L37-K39 PolarHBondContact O-N 3.41Å; L37-V40 PolarHBondContact O-N 3.43Å; L37-I41 HydrophobicContact CD1-CD1 4.37Å; L37-I41 HydrophobicContact CG-CD1 3.88Å; L37-I41 WeakPolarHBondContact O-CB 3.26Å; L37-I41 WeakPolarHBondContact O-CD1 3.43Å; L37-I41 WeakPolarHBondContact O-CG1 3.45Å; L37-I41 PolarHBondContact O-N 2.93Å
38	R	52.4	Low	49.4	Very low	161 Å²	161	73.6 Å²	73.6	61%	0.608	42%	0.421	S	S	*	.	H	α-helix	trans	-60.2	-43.3	173	-79.2	-169.5	-71.1	-105.2	3.2	112.6	G34 V35 L36 I41 V42	G34-R38 WeakPolarHBondContact O-CB 3.49Å; G34-R38 WeakPolarHBondContact O-CG 3.46Å; G34-R38 PolarHBondContact O-N 3.41Å; G34-R38 VanDerWaalsContact O-N 3.09Å; V35-R38 PolarHBondContact O-N 2.75Å; L36-R38 VanDerWaalsContact C-N 3.31Å; L36-R38 PolarHBondContact O-N 2.89Å; R38-I41 PolarHBondContact O-N 3.48Å; R38-V42 WeakPolarHBondContact O-CB 3.37Å; R38-V42 VanDerWaalsContact O-CG2 3.26Å; R38-V42 WeakPolarHBondContact O-CG2 3.2Å; R38-V42 PolarHBondContact O-N 2.94Å
39	K	55.9	Low	49.2	Very low	110 Å²	110	78 Å²	78	48%	0.478	44%	0.437	S	S	.	.	H	α-helix	trans	-65	-42.8	178.3	-79.7	-175	174.4	-178.2	0	112.3	F16 V35 L36 L37 V42 A43	F16-K39 HydrophobicContact CE1-CD 4.03Å; F16-K39 HydrophobicContact CZ-CD 3.97Å; V35-K39 PolarHBondContact O-N 2.87Å; L36-K39 PolarHBondContact O-N 3.43Å; L36-K39 VanDerWaalsContact O-N 3.12Å; L37-K39 PolarHBondContact O-N 3.41Å; K39-V42 PolarHBondContact O-N 3.42Å; K39-A43 VanDerWaalsContact O-CB 3.32Å; K39-A43 WeakPolarHBondContact O-CB 3.39Å; K39-A43 PolarHBondContact O-N 3.09Å
40	V	56.7	Low	49.2	Very low	60 Å²	60	80.1 Å²	80.1	36%	0.364	44%	0.444	S	S	.	.	H	α-helix	trans	-62.6	-42.9	175.3	165.3	0	0	0	0	111	L36 L37 S44	L36-V40 WeakPolarHBondContact O-CG2 3.15Å; L36-V40 PolarHBondContact O-N 3.12Å; L37-V40 PolarHBondContact O-N 3.43Å; V40-S44 WeakPolarHBondContact O-CB 3.38Å; V40-S44 PolarHBondContact O-N 3.34Å; V40-S44 PolarHBondContact O-OG 3.4Å
41	I	55.9	Low	49.2	Very low	44 Å²	44	78.1 Å²	78.1	23%	0.226	43%	0.431	C	S	.	.	H	α-helix	trans	-63.5	-49.4	176.6	-68.4	164.3	0	0	0	110.5	L37 R38 A43 S44 M45	L37-I41 HydrophobicContact CD1-CD1 4.37Å; L37-I41 HydrophobicContact CG-CD1 3.88Å; L37-I41 WeakPolarHBondContact O-CB 3.26Å; L37-I41 WeakPolarHBondContact O-CD1 3.43Å; L37-I41 WeakPolarHBondContact O-CG1 3.45Å; L37-I41 PolarHBondContact O-N 2.93Å; R38-I41 PolarHBondContact O-N 3.48Å; I41-A43 PolarHBondContact O-N 2.89Å; I41-S44 WeakPolarHBondContact O-CB 3.41Å; I41-S44 PolarHBondContact O-N 2.9Å; I41-S44 VanDerWaalsContact O-N 3.16Å; I41-M45 HydrophobicContact CG2-CG 4.46Å; I41-M45 HydrophobicContact CG2-SD 3.93Å; I41-M45 VanDerWaalsContact O-CG 3.32Å; I41-M45 WeakPolarHBondContact O-CG 3.35Å; I41-M45 PolarHBondContact O-N 3.04Å
42	V	54.7	Low	49.1	Very low	85 Å²	85	74.8 Å²	74.8	52%	0.515	43%	0.433	S	S	.	.	H	α-helix	trans	-62.6	-43.4	-179.6	170.7	0	0	0	0	111.7	R38 K39 S44 M45 T46	R38-V42 WeakPolarHBondContact O-CB 3.37Å; R38-V42 VanDerWaalsContact O-CG2 3.26Å; R38-V42 WeakPolarHBondContact O-CG2 3.2Å; R38-V42 PolarHBondContact O-N 2.94Å; K39-V42 PolarHBondContact O-N 3.42Å; V42-S44 VanDerWaalsContact C-N 3.26Å; V42-S44 PolarHBondContact O-N 3.27Å; V42-M45 PolarHBondContact O-N 3.47Å; V42-M45 VanDerWaalsContact O-N 3.14Å; V42-T46 PolarHBondContact O-N 3.47Å; V42-T46 PolarHBondContact O-OG1 3.17Å
43	A	51.9	Low	48.7	Very low	22 Å²	22	80.9 Å²	80.9	18%	0.182	46%	0.458	C	S	.	.	H	α-helix	trans	-63.2	-34.1	176.2	0	0	0	0	0	112.3	K39 I41 T46	K39-A43 VanDerWaalsContact O-CB 3.32Å; K39-A43 WeakPolarHBondContact O-CB 3.39Å; K39-A43 PolarHBondContact O-N 3.09Å; I41-A43 PolarHBondContact O-N 2.89Å; A43-T46 PolarHBondContact O-OG1 3.46Å; A43-T46 VanDerWaalsContact O-OG1 3.12Å
44	S	50	Low	48.3	Very low	48 Å²	48	81.4 Å²	81.4	34%	0.336	47%	0.468	S	S	.	.	H	α-helix	trans	-69.9	-34.5	174.6	-55.8	0	0	0	0	112.1	V40 I41 V42	V40-S44 WeakPolarHBondContact O-CB 3.38Å; V40-S44 PolarHBondContact O-N 3.34Å; V40-S44 PolarHBondContact O-OG 3.4Å; I41-S44 WeakPolarHBondContact O-CB 3.41Å; I41-S44 PolarHBondContact O-N 2.9Å; I41-S44 VanDerWaalsContact O-N 3.16Å; V42-S44 VanDerWaalsContact C-N 3.26Å; V42-S44 PolarHBondContact O-N 3.27Å
45	M	46.6	Very low	48.1	Very low	61 Å²	61	85.8 Å²	85.8	30%	0.3	50%	0.495	S	S	.	.	H	α-helix	trans	-71.9	-40.2	178.6	-68.8	175.4	73.4	0	0	112.4	I41 V42 S47 A48 T124 T128	I41-M45 HydrophobicContact CG2-CG 4.46Å; I41-M45 HydrophobicContact CG2-SD 3.93Å; I41-M45 VanDerWaalsContact O-CG 3.32Å; I41-M45 WeakPolarHBondContact O-CG 3.35Å; I41-M45 PolarHBondContact O-N 3.04Å; V42-M45 PolarHBondContact O-N 3.47Å; V42-M45 VanDerWaalsContact O-N 3.14Å; M45-S47 PolarHBondContact O-N 3.23Å; M45-A48 PolarHBondContact O-N 3.48Å; M45-T124 HydrophobicContact CE-CG2 4.12Å; M45-T128 HydrophobicContact CE-CG2 3.67Å
46	T	49.3	Very low	47.7	Very low	87 Å²	87	89 Å²	89	53%	0.534	52%	0.515	S	S	.	.	H	α-helix	trans	-67.8	-19.1	-179.5	45.1	0	0	0	0	114.2	V42 A43	V42-T46 PolarHBondContact O-N 3.47Å; V42-T46 PolarHBondContact O-OG1 3.17Å; A43-T46 PolarHBondContact O-OG1 3.46Å; A43-T46 VanDerWaalsContact O-OG1 3.12Å
47	S	42.9	Very low	47.4	Very low	25 Å²	25	93 Å²	93	18%	0.175	55%	0.545	C	S	.	.	H	α-helix	trans	-85.3	-19.2	176.1	-166.3	0	0	0	0	113.1	M45	M45-S47 PolarHBondContact O-N 3.23Å
48	A	42.8	Very low	47	Very low	57 Å²	57	96.6 Å²	96.6	47%	0.471	56%	0.559	S	S	.	*	H	α-helix	trans	-80.7	-32.5	-179.9	0	0	0	0	0	113.2	M45 S50 I51	M45-A48 PolarHBondContact O-N 3.48Å; A48-S50 PolarHBondContact O-N 3.06Å; A48-I51 PolarHBondContact O-N 3.22Å
49	D	40.1	Very low	46.7	Very low	125 Å²	125	92.5 Å²	92.5	67%	0.668	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-68.6	-19.8	178.4	-89.8	-77.2	0	0	0	113.7	I51	D49-I51 VanDerWaalsContact C-N 3.32Å; D49-I51 PolarHBondContact O-N 3.44Å
50	S	42.9	Very low	46.1	Very low	100 Å²	100	91.5 Å²	91.5	70%	0.699	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-82.6	-1	-178.5	-59.6	0	0	0	0	114.8	A48	A48-S50 PolarHBondContact O-N 3.06Å
51	I	43.2	Very low	46.4	Very low	107 Å²	107	91.9 Å²	91.9	55%	0.549	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-109.8	-8.7	-177.4	-69.7	174.1	0	0	0	113.1	V3 A48 D49	V3-I51 HydrophobicContact CB-CD1 4.24Å; V3-I51 HydrophobicContact CG1-CD1 3.87Å; V3-I51 HydrophobicContact CG2-CD1 3.42Å; V3-I51 VanDerWaalsContact CG2-CD1 3.42Å; A48-I51 PolarHBondContact O-N 3.22Å; D49-I51 VanDerWaalsContact C-N 3.32Å; D49-I51 PolarHBondContact O-N 3.44Å
52	V	44	Very low	47	Very low	131 Å²	131	96.3 Å²	96.3	79%	0.794	64%	0.635	S	S	*	*	S	Bend	trans	-104.5	7.6	-177.4	177.4	0	0	0	0	113.7
53	Q	39.8	Very low	47.6	Very low	190 Å²	190	96.7 Å²	96.7	89%	0.888	65%	0.647	S	S	*	*	S	Bend	trans	-114.1	9.5	171.3	-75.1	-169.3	-72.8	0	0	114.6
54	G	37	Very low	48.4	Very low	62 Å²	62	101.5 Å²	101.5	64%	0.639	68%	0.677	S	S	*	*	S	Bend	trans	-106.7	5.3	-171.4	0	0	0	0	0	117.4
55	S	42.2	Very low	48.7	Very low	117 Å²	117	105.7 Å²	105.7	82%	0.818	70%	0.703	S	S	*	*			trans	-152.3	65.9	-175.8	-61.4	0	0	0	0	113.5
56	V	46.2	Very low	49	Very low	131 Å²	131	106.6 Å²	106.6	79%	0.794	73%	0.728	S	S	*	*			trans	-108.6	89	153.1	170.4	0	0	0	0	106.1
57	S	45.9	Very low	49.2	Very low	122 Å²	122	107 Å²	107	85%	0.853	74%	0.74	S	S	*	*			trans	-94.4	100.2	165.9	-154	0	0	0	0	106.9	G59	S57-G59 PolarHBondContact O-N 3.06Å
58	H	46.7	Very low	49.3	Very low	184 Å²	184	114.4 Å²	114.4	85%	0.852	77%	0.772	S	S	*	*			trans	-68.4	107.1	166.9	-90.6	130.2	0	0	0	108.1
59	G	46.1	Very low	49.5	Very low	74 Å²	74	118.6 Å²	118.6	76%	0.763	79%	0.785	S	S	*	*			trans	-144.9	81.1	172.9	0	0	0	0	0	109.3	S57	S57-G59 PolarHBondContact O-N 3.06Å
60	G	44	Very low	49.5	Very low	89 Å²	89	117.4 Å²	117.4	92%	0.918	79%	0.787	S	S	*	*			trans	-72.7	126.9	170.2	0	0	0	0	0	110.6
61	G	62.3	Low	49.6	Very low	68 Å²	68	117.8 Å²	117.8	70%	0.701	79%	0.788	S	S	*	*			trans	-170.7	120.2	172.4	0	0	0	0	0	110.4
62	P	69.6	Low	49.8	Very low	137 Å²	137	119.8 Å²	119.8	89%	0.89	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-76	141.9	-176.1	29.6	-32.4	0	0	0	112.3
63	A	66.9	Low	50	Low	93 Å²	93	116.2 Å²	116.2	77%	0.769	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-70.2	143.3	-176.6	0	0	0	0	0	113.5
64	P	67.7	Low	50.2	Low	123 Å²	123	115.5 Å²	115.5	80%	0.799	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-82.2	140.3	164.9	30.8	-30.3	0	0	0	111.6
65	P	56.3	Low	50.9	Low	136 Å²	136	118.3 Å²	118.3	88%	0.883	79%	0.79	S	S	*	*	S	Bend	trans	-84.4	129.9	177	32.3	-29.7	0	0	0	110.7
66	G	53.5	Low	51.2	Low	81 Å²	81	118.4 Å²	118.4	84%	0.835	79%	0.788	S	S	*	*			trans	152.6	5.3	167.3	0	0	0	0	0	120.5	H68	G66-H68 PolarHBondContact O-N 3.05Å
67	A	53.7	Low	51.4	Low	96 Å²	96	117.4 Å²	117.4	79%	0.793	78%	0.775	S	S	*	*			trans	-91.7	92.8	-179.7	0	0	0	0	0	112.7	L69	A67-L69 PolarHBondContact O-N 3.38Å
68	H	44.5	Very low	51.5	Low	180 Å²	180	117.8 Å²	117.8	83%	0.833	77%	0.766	S	S	*	*			trans	-75	100.6	161.3	177.7	-100.2	0	0	0	109	G66	G66-H68 PolarHBondContact O-N 3.05Å
69	L	47.7	Very low	51.6	Low	144 Å²	144	112.3 Å²	112.3	75%	0.754	76%	0.759	S	S	*	*			trans	-133.5	103.1	169.7	-88.6	159	0	0	0	109.8	A67 C71	A67-L69 PolarHBondContact O-N 3.38Å; L69-C71 PolarHBondContact O-N 3.46Å
70	S	39.5	Very low	51.7	Low	101 Å²	101	116 Å²	116	71%	0.706	76%	0.757	S	S	*	*			trans	-62.1	116.8	160.6	176.6	0	0	0	0	109.3
71	C	46	Very low	51.6	Low	107 Å²	107	120.8 Å²	120.8	72%	0.723	75%	0.747	S	S	*	*			trans	-133.8	79.2	170.9	-59	0	0	0	0	109	L69 G73	L69-C71 PolarHBondContact O-N 3.46Å; C71-G73 PolarHBondContact O-N 3.12Å
72	V	46.6	Very low	51	Low	149 Å²	149	123.2 Å²	123.2	90%	0.903	75%	0.748	S	S	*	*			trans	-71	83.7	155.7	-179.1	0	0	0	0	106.4
73	G	47.2	Very low	49.8	Very low	56 Å²	56	123 Å²	123	58%	0.577	74%	0.735	S	S	*	*			trans	-104.4	97.1	-177.2	0	0	0	0	0	111.4	C71 I75	C71-G73 PolarHBondContact O-N 3.12Å; G73-I75 PolarHBondContact O-N 2.85Å
74	H	44.5	Very low	48.9	Very low	175 Å²	175	121.5 Å²	121.5	81%	0.81	72%	0.716	S	S	*	*			trans	-32.8	120.4	160.9	-159.5	129.8	0	0	0	111.4	P76	H74-P76 WeakPolarHBondContact O-CD 3.31Å
75	I	52	Low	47.8	Very low	122 Å²	122	121.6 Å²	121.6	63%	0.626	71%	0.705	S	S	*	*			trans	-102.7	96.1	178.7	-34.5	177.9	0	0	0	110.6	G73 H77	G73-I75 PolarHBondContact O-N 2.85Å; I75-H77 WeakPolarHBondContact CB-ND1 3.25Å; I75-H77 HydrophobicContact CG2-CB 4.42Å; I75-H77 WeakPolarHBondContact CG2-CE1 2.95Å; I75-H77 WeakPolarHBondContact CG2-ND1 3.43Å; I75-H77 PolarHBondContact O-N 2.92Å; I75-H77 VanDerWaalsContact O-N 3.13Å; I75-H77 PolarHBondContact O-ND1 2.78Å
76	P	48.6	Very low	47.2	Very low	118 Å²	118	124.8 Å²	124.8	77%	0.766	70%	0.7	S	S	*	*			trans	-85.5	85.8	175.5	35.3	-31.3	0	0	0	109.3	H74	H74-P76 WeakPolarHBondContact O-CD 3.31Å
77	H	49.8	Very low	46.9	Very low	111 Å²	111	128.9 Å²	128.9	51%	0.514	70%	0.695	S	S	.	*			trans	-133.9	10.8	178.5	66.1	-60.7	0	0	0	114.8	I75 G79	I75-H77 WeakPolarHBondContact CB-ND1 3.25Å; I75-H77 HydrophobicContact CG2-CB 4.42Å; I75-H77 WeakPolarHBondContact CG2-CE1 2.95Å; I75-H77 WeakPolarHBondContact CG2-ND1 3.43Å; I75-H77 PolarHBondContact O-N 2.92Å; I75-H77 VanDerWaalsContact O-N 3.13Å; I75-H77 PolarHBondContact O-ND1 2.78Å; H77-G79 PolarHBondContact O-N 3.42Å
78	L	49.6	Very low	46.7	Very low	130 Å²	130	126.8 Å²	126.8	68%	0.681	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-0.7	178.3	-94.5	87.3	0	0	0	115.3
79	G	48.4	Very low	46.9	Very low	68 Å²	68	123.8 Å²	123.8	70%	0.701	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-21.1	-178.4	0	0	0	0	0	116	H77	H77-G79 PolarHBondContact O-N 3.42Å
80	H	47.8	Very low	47.1	Very low	153 Å²	153	125.7 Å²	125.7	71%	0.708	66%	0.659	S	S	*	*	S	Bend	trans	-98.4	-10.9	-175.3	-89.2	145.3	0	0	0	115	V82	H80-V82 VanDerWaalsContact C-N 3.3Å; H80-V82 PolarHBondContact O-N 2.99Å
81	R	42.1	Very low	47.5	Very low	189 Å²	189	127.2 Å²	127.2	71%	0.713	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-13.7	-175	-78.6	178.6	67.2	177.4	-0.8	114.5
82	V	48.4	Very low	47.7	Very low	119 Å²	119	124.6 Å²	124.6	72%	0.721	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-8.1	-177.7	-172.6	0	0	0	0	113.2	H80	H80-V82 VanDerWaalsContact C-N 3.3Å; H80-V82 PolarHBondContact O-N 2.99Å
83	Q	45.5	Very low	47.9	Very low	133 Å²	133	119.8 Å²	119.8	62%	0.621	61%	0.605	S	S	*	*	H	α-helix	trans	-85.9	-16.6	-178.3	-65	-141.2	45.5	0	0	114.5	K87	Q83-K87 PolarHBondContact O-N 2.9Å
84	V	48.1	Very low	48.1	Very low	60 Å²	60	125.6 Å²	125.6	36%	0.364	62%	0.617	S	S	.	*	H	α-helix	trans	-71.2	-37.7	-176.7	-167.2	0	0	0	0	111.1	R86 L88	V84-R86 PolarHBondContact O-N 2.7Å; V84-L88 HydrophobicContact CG1-CD1 4.1Å; V84-L88 PolarHBondContact O-N 3.33Å
85	H	44.9	Very low	48.6	Very low	125 Å²	125	123.2 Å²	123.2	58%	0.579	61%	0.61	S	S	*	*	H	α-helix	trans	-68.8	-34.8	-179	-154.8	-145.2	0	0	0	112.2
86	R	43.7	Very low	48.5	Very low	203 Å²	203	122.7 Å²	122.7	77%	0.766	60%	0.6	S	S	*	*	H	α-helix	trans	-73.4	-30.1	-178.4	-171.1	178.9	-92.5	-151.3	-3.1	113.2	V84	V84-R86 PolarHBondContact O-N 2.7Å
87	K	46.5	Very low	48.7	Very low	168 Å²	168	121.6 Å²	121.6	73%	0.73	59%	0.594	S	S	*	*	H	α-helix	trans	-85.9	-23.2	-176.6	-140.5	169.7	-173.9	176.7	0	113.5	Q83	Q83-K87 PolarHBondContact O-N 2.9Å
88	L	50	Low	48.9	Very low	52 Å²	52	119 Å²	119	27%	0.272	60%	0.596	S	S	.	*	H	α-helix	trans	-77.8	-30.8	175.3	-81.9	159.3	0	0	0	113.4	L8 V84 K90 T92	L8-L88 HydrophobicContact CD2-CD2 3.83Å; V84-L88 HydrophobicContact CG1-CD1 4.1Å; V84-L88 PolarHBondContact O-N 3.33Å; L88-K90 VanDerWaalsContact C-N 3.28Å; L88-K90 PolarHBondContact O-N 3.29Å; L88-T92 PolarHBondContact O-OG1 3.49Å
89	Q	49	Very low	49.2	Very low	117 Å²	117	116.4 Å²	116.4	55%	0.547	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.7	-24	-176.4	-81.5	-170.4	-6.3	0	0	114.6	P93	Q89-P93 WeakPolarHBondContact O-CD 3.44Å
90	K	51	Low	49.6	Very low	184 Å²	184	114.8 Å²	114.8	80%	0.8	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-17.3	-169	-85.9	-172.1	173.4	-172.4	0	116.1	L88	L88-K90 VanDerWaalsContact C-N 3.28Å; L88-K90 PolarHBondContact O-N 3.29Å
91	K	47.4	Very low	49.9	Very low	133 Å²	133	110.4 Å²	110.4	58%	0.578	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.9	-20.6	-171.4	-72	-171.2	173.5	-175.6	0	115.4	E12	E12-K91 IonicContact OE1-NZ 3.99Å; E12-K91 PolarHBondContact OE1-NZ 3.43Å
92	T	50.8	Low	50.7	Low	51 Å²	51	105.7 Å²	105.7	31%	0.313	53%	0.532	S	S	.	.	S	Bend	trans	-88.7	-25.7	-174.8	-42.5	0	0	0	0	116.4	L88 E94 W100	L88-T92 PolarHBondContact O-OG1 3.49Å; T92-E94 VanDerWaalsContact C-N 3.27Å; T92-E94 PolarHBondContact O-N 3.28Å; T92-W100 HydrophobicContact CG2-CD2 3.92Å; T92-W100 HydrophobicContact CG2-CE3 3.36Å; T92-W100 HydrophobicContact CG2-CH2 3.99Å; T92-W100 HydrophobicContact CG2-CZ2 4.47Å; T92-W100 HydrophobicContact CG2-CZ3 3.4Å; T92-W100 VanDerWaalsContact CG2-CZ3 3.4Å
93	P	49.6	Very low	51.2	Low	49 Å²	49	103.1 Å²	103.1	32%	0.318	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.7	-175.6	27.4	-32.2	0	0	0	114.3	Q89	Q89-P93 WeakPolarHBondContact O-CD 3.44Å
94	E	51.9	Low	51.9	Low	177 Å²	177	100.5 Å²	100.5	83%	0.827	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-28.9	-173.5	-62.4	-147.7	130.4	0	0	113.9	T92	T92-E94 VanDerWaalsContact C-N 3.27Å; T92-E94 PolarHBondContact O-N 3.28Å
95	L	56.5	Low	52.6	Low	125 Å²	125	103.6 Å²	103.6	65%	0.654	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-30.8	-174.7	-81.7	143.1	0	0	0	112.8
96	Y	48.1	Very low	53.2	Low	111 Å²	111	102.4 Å²	102.4	44%	0.435	51%	0.509	S	S	.	.			trans	-153.5	77.1	-177.9	-60.7	-77.4	0	0	0	112.4	L36 G98 V99 W100	L36-Y96 HydrophobicContact CD2-CD1 4.33Å; L36-Y96 HydrophobicContact CD2-CD2 4.22Å; L36-Y96 HydrophobicContact CD2-CE1 3.62Å; L36-Y96 HydrophobicContact CD2-CE2 3.47Å; L36-Y96 VanDerWaalsContact CD2-CE2 3.47Å; L36-Y96 WeakPolarHBondContact CD2-OH 3.15Å; Y96-G98 VanDerWaalsContact C-N 3.28Å; Y96-G98 PolarHBondContact O-N 3.17Å; Y96-V99 PolarHBondContact O-N 2.8Å; Y96-W100 WeakPolarHBondContact O-CB 3.4Å; Y96-W100 PolarHBondContact O-N 3.49Å
97	P	53.7	Low	54	Low	96 Å²	96	96.8 Å²	96.8	62%	0.623	49%	0.494	S	S	*	.	H	α-helix	trans	-58.9	-37.2	-176.7	20.9	-32	0	0	0	113.1	D101	P97-D101 PolarHBondContact O-N 2.76Å; P97-D101 VanDerWaalsContact O-N 3.17Å
98	G	53	Low	54.7	Low	55 Å²	55	95 Å²	95	57%	0.567	49%	0.491	S	S	*	.	H	α-helix	trans	-70.7	-40.8	178.5	0	0	0	0	0	113.9	Y96	Y96-G98 VanDerWaalsContact C-N 3.28Å; Y96-G98 PolarHBondContact O-N 3.17Å
99	V	56.7	Low	54.7	Low	76 Å²	76	96.4 Å²	96.4	46%	0.461	50%	0.504	S	S	.	.	H	α-helix	trans	-75	-38	179.2	-175.3	0	0	0	0	110.4	Y96 D101 V102 V103	Y96-V99 PolarHBondContact O-N 2.8Å; V99-D101 VanDerWaalsContact C-N 3.26Å; V99-D101 PolarHBondContact O-N 2.81Å; V99-V102 PolarHBondContact O-N 3.48Å; V99-V103 HydrophobicContact CG1-CG2 4.25Å; V99-V103 VanDerWaalsContact O-CG2 3.3Å; V99-V103 WeakPolarHBondContact O-CG2 3.31Å; V99-V103 PolarHBondContact O-N 2.84Å
100	W	56.9	Low	54.9	Low	35 Å²	35	92 Å²	92	13%	0.133	48%	0.484	C	S	.	.	H	α-helix	trans	-63.7	-31.9	176.8	-173.5	-126.1	0	0	0	112.3	T92 Y96 V103 K104	T92-W100 HydrophobicContact CG2-CD2 3.92Å; T92-W100 HydrophobicContact CG2-CE3 3.36Å; T92-W100 HydrophobicContact CG2-CH2 3.99Å; T92-W100 HydrophobicContact CG2-CZ2 4.47Å; T92-W100 HydrophobicContact CG2-CZ3 3.4Å; T92-W100 VanDerWaalsContact CG2-CZ3 3.4Å; Y96-W100 WeakPolarHBondContact O-CB 3.4Å; Y96-W100 PolarHBondContact O-N 3.49Å; W100-V103 HydrophobicContact CE3-CB 4.35Å; W100-V103 HydrophobicContact CE3-CG1 4.2Å; W100-V103 HydrophobicContact CZ3-CG1 4.16Å; W100-K104 HydrophobicContact CD2-CD 4.41Å; W100-K104 HydrophobicContact CD2-CG 4.1Å; W100-K104 HydrophobicContact CG-CD 4.33Å; W100-K104 HydrophobicContact CG-CG 4.37Å; W100-K104 HydrophobicContact CZ2-CD 4.5Å; W100-K104 HydrophobicContact CZ2-CG 4.19Å; W100-K104 VanDerWaalsContact O-CB 3.24Å; W100-K104 WeakPolarHBondContact O-CB 3.45Å; W100-K104 WeakPolarHBondContact O-CE 3.33Å; W100-K104 VanDerWaalsContact O-CG 3.24Å; W100-K104 WeakPolarHBondContact O-CG 3.31Å; W100-K104 PolarHBondContact O-N 3.49Å
101	D	54.9	Low	55	Low	61 Å²	61	88.9 Å²	88.9	33%	0.326	48%	0.483	S	S	.	.	H	α-helix	trans	-64.9	-44.6	174.3	-160.8	-106.5	0	0	0	112.4	P97 V99 K104 K105	P97-D101 PolarHBondContact O-N 2.76Å; P97-D101 VanDerWaalsContact O-N 3.17Å; V99-D101 VanDerWaalsContact C-N 3.26Å; V99-D101 PolarHBondContact O-N 2.81Å; D101-K104 PolarHBondContact O-N 3.4Å; D101-K104 IonicContact OD2-NZ 2.81Å; D101-K105 WeakPolarHBondContact O-CB 3.44Å; D101-K105 WeakPolarHBondContact O-CG 3.44Å; D101-K105 PolarHBondContact O-N 2.91Å; D101-K105 WeakPolarHBondContact OD1-CE 3.02Å; D101-K105 IonicContact OD1-NZ 2.69Å; D101-K105 PolarHBondContact OD1-NZ 3.36Å
102	V	57.6	Low	55.3	Low	89 Å²	89	84.4 Å²	84.4	54%	0.539	47%	0.468	S	S	.	.	H	α-helix	trans	-65.1	-44.4	175.6	-179.3	0	0	0	0	110.9	V99 K105 L106	V99-V102 PolarHBondContact O-N 3.48Å; V102-K105 PolarHBondContact O-N 2.92Å; V102-L106 PolarHBondContact O-N 3.47Å
103	V	60.5	Low	55.4	Low	65 Å²	65	86.1 Å²	86.1	39%	0.394	48%	0.482	S	S	.	.	H	α-helix	trans	-64.7	-42.2	178.1	172.8	0	0	0	0	111.2	V99 W100 L106 L107	V99-V103 HydrophobicContact CG1-CG2 4.25Å; V99-V103 VanDerWaalsContact O-CG2 3.3Å; V99-V103 WeakPolarHBondContact O-CG2 3.31Å; V99-V103 PolarHBondContact O-N 2.84Å; W100-V103 HydrophobicContact CE3-CB 4.35Å; W100-V103 HydrophobicContact CE3-CG1 4.2Å; W100-V103 HydrophobicContact CZ3-CG1 4.16Å; V103-L106 PolarHBondContact O-N 3Å; V103-L107 VanDerWaalsContact O-CB 3.29Å; V103-L107 WeakPolarHBondContact O-CB 3.15Å; V103-L107 PolarHBondContact O-N 2.86Å
104	K	59.7	Low	55.5	Low	79 Å²	79	87 Å²	87	34%	0.343	49%	0.489	S	S	.	.	H	α-helix	trans	-62.4	-45	174.6	-80.6	-179.8	-68.6	169.4	0	111.6	W100 D101 L106 L107 I108	W100-K104 HydrophobicContact CD2-CD 4.41Å; W100-K104 HydrophobicContact CD2-CG 4.1Å; W100-K104 HydrophobicContact CG-CD 4.33Å; W100-K104 HydrophobicContact CG-CG 4.37Å; W100-K104 HydrophobicContact CZ2-CD 4.5Å; W100-K104 HydrophobicContact CZ2-CG 4.19Å; W100-K104 VanDerWaalsContact O-CB 3.24Å; W100-K104 WeakPolarHBondContact O-CB 3.45Å; W100-K104 WeakPolarHBondContact O-CE 3.33Å; W100-K104 VanDerWaalsContact O-CG 3.24Å; W100-K104 WeakPolarHBondContact O-CG 3.31Å; W100-K104 PolarHBondContact O-N 3.49Å; D101-K104 PolarHBondContact O-N 3.4Å; D101-K104 IonicContact OD2-NZ 2.81Å; K104-L106 VanDerWaalsContact C-N 3.31Å; K104-L106 PolarHBondContact O-N 3.27Å; K104-L107 PolarHBondContact O-N 2.91Å; K104-L107 VanDerWaalsContact O-N 3.16Å; K104-I108 WeakPolarHBondContact O-CB 3.33Å; K104-I108 WeakPolarHBondContact O-CD1 3.24Å; K104-I108 WeakPolarHBondContact O-CG1 3.28Å; K104-I108 PolarHBondContact O-N 3.25Å
105	K	61.7	Low	55.7	Low	125 Å²	125	80.8 Å²	80.8	54%	0.543	46%	0.462	S	S	.	.	H	α-helix	trans	-59.6	-43.4	175.7	-78	168.9	173.8	159.4	0	111.2	D101 V102 I108 C109	D101-K105 WeakPolarHBondContact O-CB 3.44Å; D101-K105 WeakPolarHBondContact O-CG 3.44Å; D101-K105 PolarHBondContact O-N 2.91Å; D101-K105 WeakPolarHBondContact OD1-CE 3.02Å; D101-K105 IonicContact OD1-NZ 2.69Å; D101-K105 PolarHBondContact OD1-NZ 3.36Å; V102-K105 PolarHBondContact O-N 2.92Å; K105-I108 PolarHBondContact O-N 3.37Å; K105-C109 WeakPolarHBondContact O-CB 3.39Å; K105-C109 PolarHBondContact O-N 3.47Å; K105-C109 PolarHBondContact O-SG 2.86Å; K105-C109 VanDerWaalsContact O-SG 3.39Å
106	L	58.6	Low	55.6	Low	100 Å²	100	77 Å²	77	52%	0.524	44%	0.444	S	S	.	.	H	α-helix	trans	-62.2	-44.4	173.1	-122.5	73.3	0	0	0	111.5	V102 V103 K104 I108 C109 L110	V102-L106 PolarHBondContact O-N 3.47Å; V103-L106 PolarHBondContact O-N 3Å; K104-L106 VanDerWaalsContact C-N 3.31Å; K104-L106 PolarHBondContact O-N 3.27Å; L106-I108 VanDerWaalsContact C-N 3.33Å; L106-I108 PolarHBondContact O-N 3.42Å; L106-C109 PolarHBondContact O-N 3.48Å; L106-L110 HydrophobicContact CG-CD1 4.28Å; L106-L110 VanDerWaalsContact O-CB 3.27Å; L106-L110 WeakPolarHBondContact O-CB 3.2Å; L106-L110 WeakPolarHBondContact O-CG 3.3Å; L106-L110 PolarHBondContact O-N 3.17Å
107	L	60.8	Low	55.9	Low	85 Å²	85	78 Å²	78	45%	0.445	45%	0.452	S	S	.	.	H	α-helix	trans	-69.3	-30.4	-177.8	-150.3	69.8	0	0	0	112.7	V103 K104	V103-L107 VanDerWaalsContact O-CB 3.29Å; V103-L107 WeakPolarHBondContact O-CB 3.15Å; V103-L107 PolarHBondContact O-N 2.86Å; K104-L107 PolarHBondContact O-N 2.91Å; K104-L107 VanDerWaalsContact O-N 3.16Å
108	I	59.6	Low	56.3	Low	131 Å²	131	79 Å²	79	67%	0.672	45%	0.448	S	S	*	.	H	α-helix	trans	-75	-38.4	174.4	-67	161.9	0	0	0	110.8	K104 K105 L106 L110	K104-I108 WeakPolarHBondContact O-CB 3.33Å; K104-I108 WeakPolarHBondContact O-CD1 3.24Å; K104-I108 WeakPolarHBondContact O-CG1 3.28Å; K104-I108 PolarHBondContact O-N 3.25Å; K105-I108 PolarHBondContact O-N 3.37Å; L106-I108 VanDerWaalsContact C-N 3.33Å; L106-I108 PolarHBondContact O-N 3.42Å; I108-L110 VanDerWaalsContact C-N 3.26Å; I108-L110 PolarHBondContact O-N 3.24Å
109	C	49.9	Very low	56.5	Low	80 Å²	80	78.3 Å²	78.3	54%	0.541	44%	0.437	S	S	.	.	H	α-helix	trans	-75.2	-13	176.5	-73.3	0	0	0	0	113.8	K105 L106 P111	K105-C109 WeakPolarHBondContact O-CB 3.39Å; K105-C109 PolarHBondContact O-N 3.47Å; K105-C109 PolarHBondContact O-SG 2.86Å; K105-C109 VanDerWaalsContact O-SG 3.39Å; L106-C109 PolarHBondContact O-N 3.48Å; C109-P111 VanDerWaalsContact C-CD 3.47Å; C109-P111 WeakPolarHBondContact O-CD 3.33Å
110	L	53.7	Low	56.6	Low	24 Å²	24	80 Å²	80	13%	0.126	44%	0.439	C	S	.	.			trans	-116.1	78.5	-176.8	-60.8	179.4	0	0	0	110.6	L106 I108 S112 L115 V116	L106-L110 HydrophobicContact CG-CD1 4.28Å; L106-L110 VanDerWaalsContact O-CB 3.27Å; L106-L110 WeakPolarHBondContact O-CB 3.2Å; L106-L110 WeakPolarHBondContact O-CG 3.3Å; L106-L110 PolarHBondContact O-N 3.17Å; I108-L110 VanDerWaalsContact C-N 3.26Å; I108-L110 PolarHBondContact O-N 3.24Å; L110-S112 PolarHBondContact O-N 3.25Å; L110-L115 HydrophobicContact CD2-CB 3.52Å; L110-L115 HydrophobicContact CD2-CD2 3.3Å; L110-L115 HydrophobicContact CD2-CG 4.01Å; L110-L115 HydrophobicContact CG-CB 4.43Å; L110-V116 HydrophobicContact CB-CG2 4.12Å; L110-V116 HydrophobicContact CD1-CG2 3.52Å; L110-V116 HydrophobicContact CG-CG2 4.47Å
111	P	54.3	Low	56.7	Low	120 Å²	120	81.7 Å²	81.7	78%	0.779	46%	0.456	S	S	*	.			trans	-66.5	-13	177.2	27.5	-34.1	0	0	0	113.1	C109	C109-P111 VanDerWaalsContact C-CD 3.47Å; C109-P111 WeakPolarHBondContact O-CD 3.33Å
112	S	51.9	Low	56.8	Low	38 Å²	38	83.4 Å²	83.4	27%	0.266	46%	0.464	S	S	.	.	S	Bend	trans	-112.5	128.9	178.2	63.6	0	0	0	0	111.1	L110 S114 L115	L110-S112 PolarHBondContact O-N 3.25Å; S112-S114 WeakPolarHBondContact CB-OG 3.22Å; S112-S114 PolarHBondContact O-N 2.84Å; S112-S114 VanDerWaalsContact O-N 3.1Å; S112-S114 PolarHBondContact OG-OG 3.35Å; S112-S114 VanDerWaalsContact OG-OG 3.11Å; S112-L115 PolarHBondContact O-N 3.28Å
113	S	54.1	Low	56.6	Low	88 Å²	88	82.5 Å²	82.5	62%	0.615	46%	0.458	S	S	*	.	H	α-helix	trans	-53.5	-27.8	168.6	56.9	0	0	0	0	112	L115 V116 E117	S113-L115 PolarHBondContact O-N 3.4Å; S113-V116 PolarHBondContact O-N 3.26Å; S113-E117 WeakPolarHBondContact O-CG 3.34Å; S113-E117 PolarHBondContact O-N 2.91Å
114	S	51.3	Low	56.2	Low	66 Å²	66	81.5 Å²	81.5	46%	0.462	45%	0.453	S	S	.	.	H	α-helix	trans	-64.3	-33.5	-179.5	62.3	0	0	0	0	113.8	S112 H118	S112-S114 WeakPolarHBondContact CB-OG 3.22Å; S112-S114 PolarHBondContact O-N 2.84Å; S112-S114 VanDerWaalsContact O-N 3.1Å; S112-S114 PolarHBondContact OG-OG 3.35Å; S112-S114 VanDerWaalsContact OG-OG 3.11Å; S114-H118 WeakPolarHBondContact O-CB 3.14Å; S114-H118 PolarHBondContact O-N 3.48Å
115	L	56.8	Low	55.8	Low	47 Å²	47	81.8 Å²	81.8	25%	0.246	46%	0.458	C	S	.	.	H	α-helix	trans	-77.7	-31.6	177	-115.4	82.7	0	0	0	112.1	L110 S112 S113 H118 A119 L156	L110-L115 HydrophobicContact CD2-CB 3.52Å; L110-L115 HydrophobicContact CD2-CD2 3.3Å; L110-L115 HydrophobicContact CD2-CG 4.01Å; L110-L115 HydrophobicContact CG-CB 4.43Å; S112-L115 PolarHBondContact O-N 3.28Å; S113-L115 PolarHBondContact O-N 3.4Å; L115-H118 PolarHBondContact O-N 3.46Å; L115-A119 WeakPolarHBondContact O-CB 3.29Å; L115-A119 PolarHBondContact O-N 3.26Å; L115-L156 HydrophobicContact CD2-CD2 3.85Å
116	V	53.3	Low	55.2	Low	46 Å²	46	81.1 Å²	81.1	28%	0.279	46%	0.46	S	S	.	.	H	α-helix	trans	-62	-51.9	169	168.5	0	0	0	0	108.2	L110 S113 H118 A119 F120	L110-V116 HydrophobicContact CB-CG2 4.12Å; L110-V116 HydrophobicContact CD1-CG2 3.52Å; L110-V116 HydrophobicContact CG-CG2 4.47Å; S113-V116 PolarHBondContact O-N 3.26Å; V116-H118 VanDerWaalsContact C-N 3.29Å; V116-H118 PolarHBondContact O-N 3.49Å; V116-A119 PolarHBondContact O-N 2.78Å; V116-F120 HydrophobicContact CG1-CD2 3.64Å; V116-F120 HydrophobicContact CG1-CE2 3.69Å; V116-F120 WeakPolarHBondContact O-CB 3.24Å; V116-F120 WeakPolarHBondContact O-CD2 3.24Å; V116-F120 PolarHBondContact O-N 2.79Å
117	E	55.8	Low	54.9	Low	131 Å²	131	80 Å²	80	61%	0.612	46%	0.457	S	S	*	.	H	α-helix	trans	-57.4	-40.9	177.3	-69.1	175.9	106.3	0	0	112.3	S113 S121	S113-E117 WeakPolarHBondContact O-CG 3.34Å; S113-E117 PolarHBondContact O-N 2.91Å; E117-S121 VanDerWaalsContact O-CB 3.31Å; E117-S121 WeakPolarHBondContact O-CB 3.45Å; E117-S121 PolarHBondContact O-N 3.33Å
118	H	62.3	Low	54.2	Low	118 Å²	118	79.5 Å²	79.5	55%	0.546	46%	0.458	S	S	.	.	H	α-helix	trans	-71.1	-42.7	177.6	-169	-106.5	0	0	0	113.1	S114 L115 V116 F120 S121 I122	S114-H118 WeakPolarHBondContact O-CB 3.14Å; S114-H118 PolarHBondContact O-N 3.48Å; L115-H118 PolarHBondContact O-N 3.46Å; V116-H118 VanDerWaalsContact C-N 3.29Å; V116-H118 PolarHBondContact O-N 3.49Å; H118-F120 VanDerWaalsContact C-N 3.33Å; H118-F120 PolarHBondContact O-N 3.16Å; H118-S121 WeakPolarHBondContact O-CB 3.36Å; H118-S121 PolarHBondContact O-N 2.95Å; H118-I122 WeakPolarHBondContact O-CG1 3.37Å; H118-I122 PolarHBondContact O-N 2.81Å
119	A	56.9	Low	53.6	Low	40 Å²	40	79.7 Å²	79.7	33%	0.331	45%	0.454	S	S	.	.	H	α-helix	trans	-64	-41	175.9	0	0	0	0	0	111	L115 V116 I122 V123	L115-A119 WeakPolarHBondContact O-CB 3.29Å; L115-A119 PolarHBondContact O-N 3.26Å; V116-A119 PolarHBondContact O-N 2.78Å; A119-I122 PolarHBondContact O-N 2.92Å; A119-V123 VanDerWaalsContact O-CG2 3.28Å; A119-V123 WeakPolarHBondContact O-CG2 3.2Å; A119-V123 PolarHBondContact O-N 3.47Å
120	F	58.8	Low	53.6	Low	112 Å²	112	80.6 Å²	80.6	49%	0.491	45%	0.448	S	S	.	.	H	α-helix	trans	-67	-36.9	172.4	-84.9	-98.7	0	0	0	111.5	V116 H118 I122 V123 T124	V116-F120 HydrophobicContact CG1-CD2 3.64Å; V116-F120 HydrophobicContact CG1-CE2 3.69Å; V116-F120 WeakPolarHBondContact O-CB 3.24Å; V116-F120 WeakPolarHBondContact O-CD2 3.24Å; V116-F120 PolarHBondContact O-N 2.79Å; H118-F120 VanDerWaalsContact C-N 3.33Å; H118-F120 PolarHBondContact O-N 3.16Å; F120-I122 PolarHBondContact O-N 3.46Å; F120-V123 PolarHBondContact O-N 3.47Å; F120-T124 VanDerWaalsContact O-CB 3.25Å; F120-T124 WeakPolarHBondContact O-CB 3.26Å; F120-T124 PolarHBondContact O-N 3.23Å; F120-T124 PolarHBondContact O-OG1 2.69Å
121	S	58.9	Low	53.1	Low	70 Å²	70	90.8 Å²	90.8	49%	0.49	49%	0.485	S	S	.	.	H	α-helix	trans	-63.7	-39.2	174.2	-171.2	0	0	0	0	112.2	E117 H118 T124 D125	E117-S121 VanDerWaalsContact O-CB 3.31Å; E117-S121 WeakPolarHBondContact O-CB 3.45Å; E117-S121 PolarHBondContact O-N 3.33Å; H118-S121 WeakPolarHBondContact O-CB 3.36Å; H118-S121 PolarHBondContact O-N 2.95Å; S121-T124 PolarHBondContact O-N 3.35Å; S121-D125 VanDerWaalsContact O-CB 3.31Å; S121-D125 WeakPolarHBondContact O-CB 3.47Å; S121-D125 PolarHBondContact O-N 3.46Å
122	I	55.5	Low	52.6	Low	97 Å²	97	90.4 Å²	90.4	50%	0.497	49%	0.485	S	S	.	.	H	α-helix	trans	-67.7	-43.7	175.9	-66.2	164.4	0	0	0	110.6	H118 A119 F120 T124 D125 L126	H118-I122 WeakPolarHBondContact O-CG1 3.37Å; H118-I122 PolarHBondContact O-N 2.81Å; A119-I122 PolarHBondContact O-N 2.92Å; F120-I122 PolarHBondContact O-N 3.46Å; I122-T124 VanDerWaalsContact C-N 3.34Å; I122-D125 PolarHBondContact O-N 3.27Å; I122-L126 VanDerWaalsContact O-CB 3.24Å; I122-L126 WeakPolarHBondContact O-CB 3.27Å; I122-L126 PolarHBondContact O-N 3.5Å
123	V	54	Low	52.1	Low	70 Å²	70	96.3 Å²	96.3	42%	0.424	51%	0.508	S	S	.	.	H	α-helix	trans	-64.6	-40.5	176.4	172.3	0	0	0	0	110.7	A119 F120 L126 V127	A119-V123 VanDerWaalsContact O-CG2 3.28Å; A119-V123 WeakPolarHBondContact O-CG2 3.2Å; A119-V123 PolarHBondContact O-N 3.47Å; F120-V123 PolarHBondContact O-N 3.47Å; V123-L126 PolarHBondContact O-N 2.84Å; V123-V127 HydrophobicContact CG1-CG2 4.47Å; V123-V127 WeakPolarHBondContact O-CB 3.2Å; V123-V127 WeakPolarHBondContact O-CG2 3.36Å; V123-V127 PolarHBondContact O-N 3.36Å
124	T	51.3	Low	51.6	Low	45 Å²	45	98.1 Å²	98.1	28%	0.276	51%	0.511	S	S	.	.	H	α-helix	trans	-66.9	-47.6	175.7	-62.5	0	0	0	0	110.7	M45 F120 S121 I122 L126 V127 T128	M45-T124 HydrophobicContact CE-CG2 4.12Å; F120-T124 VanDerWaalsContact O-CB 3.25Å; F120-T124 WeakPolarHBondContact O-CB 3.26Å; F120-T124 PolarHBondContact O-N 3.23Å; F120-T124 PolarHBondContact O-OG1 2.69Å; S121-T124 PolarHBondContact O-N 3.35Å; I122-T124 VanDerWaalsContact C-N 3.34Å; T124-L126 PolarHBondContact O-N 3.34Å; T124-V127 CarbonylContact O-C 3.48Å; T124-V127 WeakPolarHBondContact O-CA 3.39Å; T124-V127 PolarHBondContact O-N 3.1Å; T124-T128 HydrophobicContact CG2-CG2 3.7Å; T124-T128 WeakPolarHBondContact O-CB 3.16Å; T124-T128 PolarHBondContact O-N 3.19Å; T124-T128 PolarHBondContact O-OG1 2.83Å
125	D	52.1	Low	51	Low	84 Å²	84	103.4 Å²	103.4	45%	0.449	53%	0.528	S	S	.	.	H	α-helix	trans	-57.2	-40.7	175.2	-164.4	-95.5	0	0	0	110.8	S121 I122 V127 K129	S121-D125 VanDerWaalsContact O-CB 3.31Å; S121-D125 WeakPolarHBondContact O-CB 3.47Å; S121-D125 PolarHBondContact O-N 3.46Å; I122-D125 PolarHBondContact O-N 3.27Å; D125-V127 VanDerWaalsContact C-N 3.27Å; D125-V127 PolarHBondContact O-N 3.11Å; D125-K129 WeakPolarHBondContact O-CA 3.41Å; D125-K129 WeakPolarHBondContact O-CB 3.4Å; D125-K129 PolarHBondContact O-N 3.47Å; D125-K129 WeakPolarHBondContact OD1-CD 3.34Å
126	L	50.3	Low	50.2	Low	111 Å²	111	107.6 Å²	107.6	58%	0.581	56%	0.555	S	S	*	*	H	α-helix	trans	-67.6	-23.9	174.9	-170.8	63.3	0	0	0	113.6	I122 V123 T124 K130	I122-L126 VanDerWaalsContact O-CB 3.24Å; I122-L126 WeakPolarHBondContact O-CB 3.27Å; I122-L126 PolarHBondContact O-N 3.5Å; V123-L126 PolarHBondContact O-N 2.84Å; T124-L126 PolarHBondContact O-N 3.34Å; L126-K130 WeakPolarHBondContact O-CB 3.09Å; L126-K130 WeakPolarHBondContact O-CD 3.4Å
127	V	51.5	Low	49.6	Very low	78 Å²	78	112 Å²	112	47%	0.473	58%	0.582	S	S	.	*	H	α-helix	trans	-94.3	-34.3	178.8	171.5	0	0	0	0	111.9	V123 T124 D125	V123-V127 HydrophobicContact CG1-CG2 4.47Å; V123-V127 WeakPolarHBondContact O-CB 3.2Å; V123-V127 WeakPolarHBondContact O-CG2 3.36Å; V123-V127 PolarHBondContact O-N 3.36Å; T124-V127 CarbonylContact O-C 3.48Å; T124-V127 WeakPolarHBondContact O-CA 3.39Å; T124-V127 PolarHBondContact O-N 3.1Å; D125-V127 VanDerWaalsContact C-N 3.27Å; D125-V127 PolarHBondContact O-N 3.11Å
128	T	45.8	Very low	48.8	Very low	74 Å²	74	111.6 Å²	111.6	45%	0.454	59%	0.594	S	S	.	*	H	α-helix	trans	-91.1	-38	-176.4	55.4	0	0	0	0	112.4	M45 T124 K130	M45-T128 HydrophobicContact CE-CG2 3.67Å; T124-T128 HydrophobicContact CG2-CG2 3.7Å; T124-T128 WeakPolarHBondContact O-CB 3.16Å; T124-T128 PolarHBondContact O-N 3.19Å; T124-T128 PolarHBondContact O-OG1 2.83Å; T128-K130 VanDerWaalsContact C-N 3.27Å; T128-K130 PolarHBondContact O-N 3.17Å
129	K	47.9	Very low	47.8	Very low	135 Å²	135	108.5 Å²	108.5	59%	0.587	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-74.9	-17.8	174.8	-161.4	171.5	168.1	176.4	0	112.7	D125 R131	D125-K129 WeakPolarHBondContact O-CA 3.41Å; D125-K129 WeakPolarHBondContact O-CB 3.4Å; D125-K129 PolarHBondContact O-N 3.47Å; D125-K129 WeakPolarHBondContact OD1-CD 3.34Å; K129-R131 VanDerWaalsContact C-N 3.26Å; K129-R131 PolarHBondContact O-N 3.43Å
130	K	48.7	Very low	47.4	Very low	99 Å²	99	110.3 Å²	110.3	43%	0.43	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-84.2	16.9	-179.3	-160.3	177.5	-176.1	-175.3	0	114.5	L126 T128 L134	L126-K130 WeakPolarHBondContact O-CB 3.09Å; L126-K130 WeakPolarHBondContact O-CD 3.4Å; T128-K130 VanDerWaalsContact C-N 3.27Å; T128-K130 PolarHBondContact O-N 3.17Å; K130-L134 HydrophobicContact CD-CD1 4.32Å; K130-L134 HydrophobicContact CG-CD1 3.53Å; K130-L134 HydrophobicContact CG-CD2 4.4Å; K130-L134 HydrophobicContact CG-CG 3.87Å
131	R	43.7	Very low	47.1	Very low	238 Å²	238	109.8 Å²	109.8	90%	0.898	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-113.1	-5	169.7	-77.8	-162.6	175.7	167.3	-0	116	K129	K129-R131 VanDerWaalsContact C-N 3.26Å; K129-R131 PolarHBondContact O-N 3.43Å
132	S	43.9	Very low	46.5	Very low	112 Å²	112	111 Å²	111	78%	0.783	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.2	-2.9	179.8	-163.8	0	0	0	0	116
133	Q	41.7	Very low	46.1	Very low	161 Å²	161	116 Å²	116	75%	0.752	63%	0.632	S	S	*	*			trans	-146.1	37.6	179.3	-74.9	-173.8	15.6	0	0	113.7	Q135	Q133-Q135 PolarHBondContact O-N 3.04Å
134	L	42.2	Very low	45.6	Very low	126 Å²	126	117.6 Å²	117.6	66%	0.66	64%	0.637	S	S	*	*			trans	-88.8	33.5	162.9	-87	179.9	0	0	0	111.7	K130	K130-L134 HydrophobicContact CD-CD1 4.32Å; K130-L134 HydrophobicContact CG-CD1 3.53Å; K130-L134 HydrophobicContact CG-CD2 4.4Å; K130-L134 HydrophobicContact CG-CG 3.87Å
135	Q	39.5	Very low	45.4	Very low	177 Å²	177	123.7 Å²	123.7	83%	0.827	66%	0.655	S	S	*	*	S	Bend	trans	-102.8	123.8	162.6	-73.5	-177.6	36.6	0	0	106.6	Q133	Q133-Q135 PolarHBondContact O-N 3.04Å
136	V	40.3	Very low	44.9	Very low	135 Å²	135	124.9 Å²	124.9	82%	0.818	67%	0.665	S	S	*	*	S	Bend	trans	77.1	70.7	167.4	-169.7	0	0	0	0	116.1
137	V	40	Very low	44.4	Very low	138 Å²	138	125.2 Å²	125.2	84%	0.836	67%	0.666	S	S	*	*				-139.1	90.6	122.4	176.8	0	0	0	0	106.7
138	S	39.4	Very low	44	Very low	123 Å²	123	128.6 Å²	128.6	86%	0.86	68%	0.681	S	S	*	*			trans	-56.5	128.2	165.5	176.4	0	0	0	0	109.6
139	G	41.9	Very low	44	Very low	54 Å²	54	130.3 Å²	130.3	56%	0.557	69%	0.691	S	S	*	*	S	Bend	trans	102.7	94.8	161.4	0	0	0	0	0	116.1	D141	G139-D141 VanDerWaalsContact C-N 3.35Å; G139-D141 PolarHBondContact O-N 3.44Å
140	G	48.1	Very low	43.7	Very low	77 Å²	77	131.5 Å²	131.5	79%	0.794	70%	0.699	S	S	*	*	S	Bend	trans	75.7	-27.7	139	0	0	0	0	0	121.2	L142	G140-L142 PolarHBondContact O-N 3.39Å
141	D	52	Low	43.8	Very low	102 Å²	102	130.9 Å²	130.9	55%	0.545	71%	0.705	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.9	-9.9	-160	-111.2	-84.7	0	0	0	116.7	G139 R143 L144 R145	G139-D141 VanDerWaalsContact C-N 3.35Å; G139-D141 PolarHBondContact O-N 3.44Å; D141-R143 VanDerWaalsContact C-N 3.31Å; D141-R143 PolarHBondContact O-N 3.31Å; D141-L144 PolarHBondContact O-N 3.01Å; D141-R145 PolarHBondContact O-N 3.32Å
142	L	46.3	Very low	44	Very low	96 Å²	96	124.1 Å²	124.1	50%	0.503	69%	0.686	S	S	.	*	H	α-helix	trans	-74	-21.9	-173.5	-156.8	67	0	0	0	113.4	G140 L144 R145 V146	G140-L142 PolarHBondContact O-N 3.39Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L142-R145 PolarHBondContact O-N 2.78Å; L142-V146 PolarHBondContact O-N 3.23Å
143	R	47.4	Very low	44.3	Very low	201 Å²	201	123.5 Å²	123.5	76%	0.758	67%	0.674	S	S	*	*	H	α-helix	trans	-69.7	-32.3	173.4	-69.5	-177.3	80.7	-142.2	6.1	111.6	D141 I147	D141-R143 VanDerWaalsContact C-N 3.31Å; D141-R143 PolarHBondContact O-N 3.31Å; R143-I147 WeakPolarHBondContact O-CD1 2.96Å; R143-I147 VanDerWaalsContact O-CG1 3.26Å; R143-I147 WeakPolarHBondContact O-CG1 3.29Å; R143-I147 PolarHBondContact O-N 3.33Å
144	L	44.2	Very low	44.7	Very low	103 Å²	103	120.2 Å²	120.2	54%	0.539	66%	0.661	S	S	.	*	H	α-helix	trans	-70.3	-36.1	176.3	-77.6	163.7	0	0	0	111.5	D141 L142 V146 I147 L148	D141-L144 PolarHBondContact O-N 3.01Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L144-V146 PolarHBondContact O-N 3.35Å; L144-I147 PolarHBondContact O-N 3.25Å; L144-L148 WeakPolarHBondContact O-CB 3.19Å; L144-L148 PolarHBondContact O-N 3.36Å
145	R	46	Very low	45.4	Very low	174 Å²	174	122.2 Å²	122.2	66%	0.657	66%	0.66	S	S	*	*	H	α-helix	trans	-72.9	-25.9	179.8	-68	-179	61.2	-133.9	-2.8	114.7	D141 L142 V149	D141-R145 PolarHBondContact O-N 3.32Å; L142-R145 PolarHBondContact O-N 2.78Å; R145-V149 WeakPolarHBondContact O-CG2 3.45Å
146	V	42.5	Very low	46	Very low	109 Å²	109	118 Å²	118	66%	0.661	64%	0.643	S	S	*	*	H	α-helix	trans	-83.2	-26.1	174.7	174.8	0	0	0	0	111.6	L142 L144	L142-V146 PolarHBondContact O-N 3.23Å; L144-V146 PolarHBondContact O-N 3.35Å
147	I	40.3	Very low	46.5	Very low	117 Å²	117	115 Å²	115	60%	0.6	62%	0.624	S	S	*	*	H	α-helix	trans	-84.5	-28.9	174.7	-64.7	167.7	0	0	0	111.4	R143 L144 V149 E150	R143-I147 WeakPolarHBondContact O-CD1 2.96Å; R143-I147 VanDerWaalsContact O-CG1 3.26Å; R143-I147 WeakPolarHBondContact O-CG1 3.29Å; R143-I147 PolarHBondContact O-N 3.33Å; L144-I147 PolarHBondContact O-N 3.25Å; I147-V149 PolarHBondContact O-N 3.13Å; I147-E150 PolarHBondContact O-N 3.21Å
148	L	41.5	Very low	47.2	Very low	149 Å²	149	115.9 Å²	115.9	78%	0.78	61%	0.612	S	S	*	*	S	Bend	trans	-72.1	-13.2	171.9	-130	85	0	0	0	113.4	L144 E150	L144-L148 WeakPolarHBondContact O-CB 3.19Å; L144-L148 PolarHBondContact O-N 3.36Å; L148-E150 PolarHBondContact O-N 2.82Å
149	V	45.8	Very low	48.2	Very low	110 Å²	110	116.1 Å²	116.1	67%	0.667	60%	0.603	S	S	*	*			trans	-86.5	48.6	164.7	-179	0	0	0	0	108.3	R145 I147 P151	R145-V149 WeakPolarHBondContact O-CG2 3.45Å; I147-V149 PolarHBondContact O-N 3.13Å; V149-P151 WeakPolarHBondContact O-CD 3.2Å
150	E	42.2	Very low	48.6	Very low	161 Å²	161	118 Å²	118	75%	0.752	60%	0.601	S	S	*	*			trans	-63.6	116.9	152.3	-159.3	-169.4	114.3	0	0	104.6	I147 L148 N152	I147-E150 PolarHBondContact O-N 3.21Å; L148-E150 PolarHBondContact O-N 2.82Å; E150-N152 VanDerWaalsContact C-N 3.33Å; E150-N152 PolarHBondContact O-N 2.94Å
151	P	50.4	Low	48.6	Very low	86 Å²	86	120 Å²	120	56%	0.558	59%	0.593	S	S	*	*			trans	-65.1	105.6	-177.3	28.4	-31.2	0	0	0	104.6	V149 I153	V149-P151 WeakPolarHBondContact O-CD 3.2Å; P151-I153 HydrophobicContact CB-CG1 4Å; P151-I153 HydrophobicContact CG-CD1 4.23Å; P151-I153 HydrophobicContact CG-CG1 4.18Å; P151-I153 WeakPolarHBondContact O-CG1 3.41Å; P151-I153 PolarHBondContact O-N 3.45Å
152	N	48.4	Very low	48.2	Very low	95 Å²	95	118.2 Å²	118.2	51%	0.508	60%	0.598	S	S	.	*			trans	-70.7	73	169.5	-166.3	-33.6	0	0	0	106.2	E150 N154 R155 L156	E150-N152 VanDerWaalsContact C-N 3.33Å; E150-N152 PolarHBondContact O-N 2.94Å; N152-N154 PolarHBondContact O-N 2.66Å; N152-N154 WeakPolarHBondContact OD1-CB 3.39Å; N152-R155 HydrophobicContact CB-CB 3.92Å; N152-R155 VanDerWaalsContact CG-CB 3.46Å; N152-R155 WeakPolarHBondContact O-CA 3.43Å; N152-R155 WeakPolarHBondContact O-CB 3.37Å; N152-R155 PolarHBondContact O-N 3.3Å; N152-R155 VanDerWaalsContact OD1-CB 3.28Å; N152-R155 WeakPolarHBondContact OD1-CB 3.07Å; N152-R155 PolarHBondContact OD1-N 2.99Å; N152-L156 PolarHBondContact O-N 2.79Å
153	I	50.8	Low	48.2	Very low	100 Å²	100	120.7 Å²	120.7	51%	0.513	61%	0.607	S	S	.	*	H	α-helix	trans	-53.5	-36.3	177	-63.5	158.9	0	0	0	107	P151 R155 L156 V157	P151-I153 HydrophobicContact CB-CG1 4Å; P151-I153 HydrophobicContact CG-CD1 4.23Å; P151-I153 HydrophobicContact CG-CG1 4.18Å; P151-I153 WeakPolarHBondContact O-CG1 3.41Å; P151-I153 PolarHBondContact O-N 3.45Å; I153-R155 PolarHBondContact O-N 3.2Å; I153-L156 PolarHBondContact O-N 3.49Å; I153-V157 HydrophobicContact CG2-CG2 4.09Å; I153-V157 VanDerWaalsContact O-CB 3.22Å; I153-V157 WeakPolarHBondContact O-CB 3.22Å; I153-V157 WeakPolarHBondContact O-CG2 3.28Å; I153-V157 PolarHBondContact O-N 3.36Å
154	N	50.3	Low	47.9	Very low	91 Å²	91	116.5 Å²	116.5	49%	0.487	61%	0.606	S	S	.	*	H	α-helix	trans	-60.2	-43.2	175.4	-153.2	-77.7	0	0	0	112.4	N152 V157 R158	N152-N154 PolarHBondContact O-N 2.66Å; N152-N154 WeakPolarHBondContact OD1-CB 3.39Å; N154-V157 PolarHBondContact O-N 3.04Å; N154-R158 VanDerWaalsContact O-CG 3.26Å; N154-R158 WeakPolarHBondContact O-CG 3.29Å; N154-R158 PolarHBondContact O-N 3.02Å; N154-R158 VanDerWaalsContact OD1-CZ 3.24Å; N154-R158 PolarHBondContact OD1-NE 2.92Å; N154-R158 PolarHBondContact OD1-NH2 3.44Å
155	R	57	Low	47.9	Very low	168 Å²	168	116.8 Å²	116.8	63%	0.634	62%	0.616	S	S	*	*	H	α-helix	trans	-72.6	-35.5	176.8	-166.2	175.1	-178.4	-129.1	0.2	112.1	N152 I153 R158 L159	N152-R155 HydrophobicContact CB-CB 3.92Å; N152-R155 VanDerWaalsContact CG-CB 3.46Å; N152-R155 WeakPolarHBondContact O-CA 3.43Å; N152-R155 WeakPolarHBondContact O-CB 3.37Å; N152-R155 PolarHBondContact O-N 3.3Å; N152-R155 VanDerWaalsContact OD1-CB 3.28Å; N152-R155 WeakPolarHBondContact OD1-CB 3.07Å; N152-R155 PolarHBondContact OD1-N 2.99Å; I153-R155 PolarHBondContact O-N 3.2Å; R155-R158 PolarHBondContact O-N 3.45Å; R155-L159 HydrophobicContact CG-CD1 4.33Å; R155-L159 WeakPolarHBondContact O-CB 3.48Å; R155-L159 VanDerWaalsContact O-CG 3.29Å; R155-L159 WeakPolarHBondContact O-CG 3.47Å; R155-L159 PolarHBondContact O-N 3.42Å
156	L	52.3	Low	48	Very low	89 Å²	89	114.3 Å²	114.3	47%	0.466	63%	0.626	S	S	.	*	H	α-helix	trans	-66.6	-39.8	173.3	-135.6	86.6	0	0	0	111.3	L115 N152 I153 L159 N160	L115-L156 HydrophobicContact CD2-CD2 3.85Å; N152-L156 PolarHBondContact O-N 2.79Å; I153-L156 PolarHBondContact O-N 3.49Å; L156-L159 PolarHBondContact O-N 3.48Å; L156-N160 WeakPolarHBondContact O-CB 3.26Å; L156-N160 PolarHBondContact O-N 2.78Å; L156-N160 PolarHBondContact O-ND2 2.83Å
157	V	50.9	Low	47.8	Very low	71 Å²	71	114.4 Å²	114.4	43%	0.43	63%	0.631	S	S	.	*	H	α-helix	trans	-64.4	-44.9	175.1	167.2	0	0	0	0	110.4	I153 N154 L159 N160 L161	I153-V157 HydrophobicContact CG2-CG2 4.09Å; I153-V157 VanDerWaalsContact O-CB 3.22Å; I153-V157 WeakPolarHBondContact O-CB 3.22Å; I153-V157 WeakPolarHBondContact O-CG2 3.28Å; I153-V157 PolarHBondContact O-N 3.36Å; N154-V157 PolarHBondContact O-N 3.04Å; V157-L159 VanDerWaalsContact C-N 3.35Å; V157-L159 PolarHBondContact O-N 2.94Å; V157-N160 PolarHBondContact O-N 3.46Å; V157-L161 HydrophobicContact CG1-CD1 3.8Å; V157-L161 WeakPolarHBondContact O-CB 3.39Å; V157-L161 PolarHBondContact O-N 2.81Å
158	R	54.6	Low	47.7	Very low	157 Å²	157	123.5 Å²	123.5	59%	0.592	66%	0.658	S	S	*	*	H	α-helix	trans	-65.8	-31.8	175.7	-70.6	178.6	-153.6	-156.3	4	114.2	N154 R155	N154-R158 VanDerWaalsContact O-CG 3.26Å; N154-R158 WeakPolarHBondContact O-CG 3.29Å; N154-R158 PolarHBondContact O-N 3.02Å; N154-R158 VanDerWaalsContact OD1-CZ 3.24Å; N154-R158 PolarHBondContact OD1-NE 2.92Å; N154-R158 PolarHBondContact OD1-NH2 3.44Å; R155-R158 PolarHBondContact O-N 3.45Å
159	L	59	Low	48	Very low	128 Å²	128	122.3 Å²	122.3	67%	0.67	65%	0.652	S	S	*	*	H	α-helix	trans	-79.8	-26	177.9	-73.9	170.3	0	0	0	112.8	R155 L156 V157	R155-L159 HydrophobicContact CG-CD1 4.33Å; R155-L159 WeakPolarHBondContact O-CB 3.48Å; R155-L159 VanDerWaalsContact O-CG 3.29Å; R155-L159 WeakPolarHBondContact O-CG 3.47Å; R155-L159 PolarHBondContact O-N 3.42Å; L156-L159 PolarHBondContact O-N 3.48Å; V157-L159 VanDerWaalsContact C-N 3.35Å; V157-L159 PolarHBondContact O-N 2.94Å
160	N	50.8	Low	48.1	Very low	95 Å²	95	122.9 Å²	122.9	51%	0.508	65%	0.651	S	S	.	*	H	α-helix	trans	-98.3	-31.6	-179	-76.7	-87.8	0	0	0	113.3	L156 V157 G162	L156-N160 WeakPolarHBondContact O-CB 3.26Å; L156-N160 PolarHBondContact O-N 2.78Å; L156-N160 PolarHBondContact O-ND2 2.83Å; V157-N160 PolarHBondContact O-N 3.46Å; N160-G162 PolarHBondContact O-N 2.78Å
161	L	48.1	Very low	48.4	Very low	119 Å²	119	120.8 Å²	120.8	62%	0.623	65%	0.646	S	S	*	*	S	Bend	trans	-91.4	90.3	161.7	-77.9	107.3	0	0	0	106.9	V157 E163	V157-L161 HydrophobicContact CG1-CD1 3.8Å; V157-L161 WeakPolarHBondContact O-CB 3.39Å; V157-L161 PolarHBondContact O-N 2.81Å; L161-E163 PolarHBondContact O-N 3.15Å; L161-E163 VanDerWaalsContact O-N 3.15Å
162	G	43.1	Very low	48.3	Very low	63 Å²	63	122.8 Å²	122.8	65%	0.649	65%	0.651	S	S	*	*			trans	-42.7	125	170.2	0	0	0	0	0	109.9	N160	N160-G162 PolarHBondContact O-N 2.78Å
163	E	45.9	Very low	48.3	Very low	148 Å²	148	124.6 Å²	124.6	69%	0.692	66%	0.66	S	S	*	*			trans	-28.9	121.8	179	-70.2	-86.7	99	0	0	111.8	L161 S165	L161-E163 PolarHBondContact O-N 3.15Å; L161-E163 VanDerWaalsContact O-N 3.15Å; E163-S165 PolarHBondContact O-N 2.73Å
164	P	41.2	Very low	48.1	Very low	114 Å²	114	126.2 Å²	126.2	74%	0.74	67%	0.67	S	S	*	*			trans	-66.2	99.4	157.8	28.5	-27.5	0	0	0	104.8	S166	P164-S166 PolarHBondContact O-N 2.87Å
165	S	44.3	Very low	48	Very low	108 Å²	108	128.7 Å²	128.7	76%	0.755	68%	0.683	S	S	*	*			trans	-51.8	96.7	166.4	-171.4	0	0	0	0	106.9	E163 S167	E163-S165 PolarHBondContact O-N 2.73Å; S165-S167 PolarHBondContact O-N 2.86Å
166	S	47.9	Very low	47.3	Very low	122 Å²	122	125.7 Å²	125.7	85%	0.853	69%	0.686	S	S	*	*			trans	-74.6	77.1	173.8	-178.2	0	0	0	0	106.6	P164	P164-S166 PolarHBondContact O-N 2.87Å
167	S	39.8	Very low	46.8	Very low	111 Å²	111	128.8 Å²	128.8	78%	0.776	71%	0.705	S	S	*	*			trans	-102.7	88.5	169.5	-167.8	0	0	0	0	107.3	S165	S165-S167 PolarHBondContact O-N 2.86Å
168	R	36.5	Very low	46.5	Very low	309 Å²	309	134 Å²	134	100%	1.166	73%	0.73	S	S	*	*			trans	-157.3	0	153.3	-156.5	173.8	-166.3	-147.5	1.5	110.9

Retrieved 168 of 168 residues in 24.2 ms (Link to these results)

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