A0A3Q0KQY8_SCHMA Loading...

Conserved domain protein

AlphaFold DB , UniProt , Accession A0A3Q0KQY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 173 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	36.2	Very low	39.1	Very low	233 Å²	233	154.6 Å²	154.6	100%	1.148	80%	0.799	S	S	*	*				0	97	0	-87.4	-166.8	175.9	0	0	103.5
2	D	42.3	Very low	39	Very low	168 Å²	168	153.3 Å²	153.3	90%	0.898	79%	0.794	S	S	*	*			trans	-100.9	119.9	-144.3	-55.3	-25.6	0	0	0	110.3
3	E	38.7	Very low	38.5	Very low	174 Å²	174	148 Å²	148	81%	0.813	78%	0.779	S	S	*	*			trans	-103.9	156.9	166.9	-75.2	-170.2	140.3	0	0	110.1
4	N	44.1	Very low	38	Very low	144 Å²	144	147.5 Å²	147.5	77%	0.77	78%	0.777	S	S	*	*			trans	84.6	113.5	166.2	-67.6	-67	0	0	0	117.9
5	L	43.3	Very low	37.9	Very low	152 Å²	152	152.1 Å²	152.1	80%	0.796	79%	0.788	S	S	*	*				172	107	99.6	-141.3	66.4	0	0	0	107.5
6	K	43.3	Very low	37.5	Very low	174 Å²	174	152.8 Å²	152.8	76%	0.757	79%	0.794	S	S	*	*				69.8	98.2	102.7	-122.2	-172.3	-179.5	-173.1	0	113.5
7	T	39.6	Very low	37.5	Very low	113 Å²	113	149.1 Å²	149.1	69%	0.693	78%	0.784	S	S	*	*				77.5	121.9	106	56.8	0	0	0	0	116.6
8	S	33.2	Very low	37.4	Very low	101 Å²	101	150.8 Å²	150.8	71%	0.706	79%	0.787	S	S	*	*			trans	60.1	123.9	141.3	75.1	0	0	0	0	116.9
9	I	38.1	Very low	37.4	Very low	143 Å²	143	151.3 Å²	151.3	73%	0.733	79%	0.791	S	S	*	*				-174.7	122.9	72.2	-81.5	172.1	0	0	0	106.3
10	V	37.1	Very low	37.6	Very low	102 Å²	102	152.9 Å²	152.9	62%	0.618	79%	0.791	S	S	*	*			trans	46.8	122.6	133.9	-171.3	0	0	0	0	117.3	D12	V10-D12 HydrophobicContact CG1-CB 4.11Å; V10-D12 VanDerWaalsContact CG1-CG 3.44Å; V10-D12 WeakPolarHBondContact CG1-OD2 3.06Å
11	K	33.8	Very low	37.8	Very low	197 Å²	197	155.1 Å²	155.1	86%	0.857	80%	0.797	S	S	*	*			cis	57.1	65.4	28.6	-124	-165.7	-167.8	-171.7	0	116.5
12	D	38.7	Very low	38.4	Very low	138 Å²	138	150.7 Å²	150.7	74%	0.738	77%	0.774	S	S	*	*			trans	-135.7	107.1	156.8	-76.7	-36.2	0	0	0	105.9	V10	V10-D12 HydrophobicContact CG1-CB 4.11Å; V10-D12 VanDerWaalsContact CG1-CG 3.44Å; V10-D12 WeakPolarHBondContact CG1-OD2 3.06Å
13	S	32.2	Very low	38.9	Very low	85 Å²	85	151.4 Å²	151.4	59%	0.594	77%	0.769	S	S	*	*				53.4	124.2	67.5	-27.5	0	0	0	0	112.2
14	D	31.7	Very low	39.7	Very low	141 Å²	141	149.2 Å²	149.2	75%	0.754	77%	0.77	S	S	*	*			trans	67.6	91.7	153.5	-53.7	-35.2	0	0	0	119.3
15	F	36.9	Very low	39.9	Very low	217 Å²	217	144.6 Å²	144.6	95%	0.952	75%	0.749	S	S	*	*			trans	-148.2	82.3	135	-96.9	-72.3	0	0	0	110.7
16	N	30.5	Very low	40.6	Very low	163 Å²	163	143.2 Å²	143.2	87%	0.872	74%	0.741	S	S	*	*			trans	-74.2	114.8	153.3	-175.5	21	0	0	0	107.5
17	S	38.2	Very low	41.1	Very low	90 Å²	90	140.8 Å²	140.8	63%	0.629	74%	0.736	S	S	*	*			trans	-174.3	107.5	152	-179.6	0	0	0	0	109.8	N19	S17-N19 PolarHBondContact O-N 3.43Å
18	Q	34.7	Very low	41.7	Very low	179 Å²	179	139.6 Å²	139.6	84%	0.836	73%	0.726	S	S	*	*			trans	11.8	100.2	144	-69.2	174.4	-19.6	0	0	115.8
19	N	38.6	Very low	42.7	Very low	160 Å²	160	140.6 Å²	140.6	86%	0.856	72%	0.722	S	S	*	*			trans	-126.6	100.9	148.8	-119.7	-18.9	0	0	0	107.8	S17 H21	S17-N19 PolarHBondContact O-N 3.43Å; N19-H21 PolarHBondContact O-N 3.08Å; N19-H21 VanDerWaalsContact O-N 3.13Å
20	K	41	Very low	43.2	Very low	183 Å²	183	142.4 Å²	142.4	80%	0.796	72%	0.721	S	S	*	*			trans	-51.2	116.5	172	-76.5	172.7	171.8	179.2	0	107.4	E22	K20-E22 PolarHBondContact O-N 2.95Å
21	H	41.9	Very low	43.7	Very low	200 Å²	200	148 Å²	148	93%	0.926	73%	0.731	S	S	*	*			trans	-66.4	77.3	158.1	-98.1	-70.9	0	0	0	107.6	N19 K23	N19-H21 PolarHBondContact O-N 3.08Å; N19-H21 VanDerWaalsContact O-N 3.13Å; H21-K23 PolarHBondContact O-N 3.43Å
22	E	48.5	Very low	44.5	Very low	141 Å²	141	142.1 Å²	142.1	66%	0.659	71%	0.711	S	S	*	*			trans	-76.5	110.8	166.9	-163.1	160.4	-168.4	0	0	106.2	K20	K20-E22 PolarHBondContact O-N 2.95Å
23	K	52.7	Low	44.7	Very low	182 Å²	182	140 Å²	140	79%	0.791	70%	0.703	S	S	*	*			trans	-45.1	137.3	170.2	-116.5	177.1	175.7	-175.4	0	108.1	H21 S25	H21-K23 PolarHBondContact O-N 3.43Å; K23-S25 PolarHBondContact O-N 3.47Å
24	P	54.8	Low	44.9	Very low	129 Å²	129	138.4 Å²	138.4	84%	0.838	70%	0.7	S	S	*	*			trans	-56.8	104.7	172.4	23	-31.1	0	0	0	108.5
25	S	48.3	Very low	45.4	Very low	47 Å²	47	135.6 Å²	135.6	33%	0.329	69%	0.691	S	S	.	*			trans	-91.8	137.2	173.4	176.8	0	0	0	0	108	K23 D27 N28	K23-S25 PolarHBondContact O-N 3.47Å; S25-D27 PolarHBondContact O-N 2.77Å; S25-D27 WeakPolarHBondContact OG-CB 3.45Å; S25-D27 PolarHBondContact OG-N 3.46Å; S25-D27 PolarHBondContact OG-OD2 3.13Å; S25-D27 VanDerWaalsContact OG-OD2 3.11Å; S25-N28 PolarHBondContact O-N 3.14Å
26	I	58.1	Low	45.7	Very low	123 Å²	123	134.6 Å²	134.6	63%	0.631	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-52.4	-26.2	173.2	-63.5	169.7	0	0	0	110.8	N28 I29 Y30	I26-N28 VanDerWaalsContact C-N 3.25Å; I26-N28 PolarHBondContact O-N 3.36Å; I26-I29 WeakPolarHBondContact O-CB 3.4Å; I26-I29 PolarHBondContact O-N 2.82Å; I26-Y30 HydrophobicContact CG2-CE2 4.23Å
27	D	53.8	Low	46.2	Very low	122 Å²	122	133 Å²	133	65%	0.652	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-63.1	-26.5	178.8	-61.1	-33.7	0	0	0	113.9	S25 I29	S25-D27 PolarHBondContact O-N 2.77Å; S25-D27 WeakPolarHBondContact OG-CB 3.45Å; S25-D27 PolarHBondContact OG-N 3.46Å; S25-D27 PolarHBondContact OG-OD2 3.13Å; S25-D27 VanDerWaalsContact OG-OD2 3.11Å; D27-I29 VanDerWaalsContact C-N 3.28Å; D27-I29 PolarHBondContact O-N 2.87Å
28	N	53.5	Low	46.4	Very low	89 Å²	89	134.8 Å²	134.8	48%	0.476	69%	0.685	S	S	.	*	G	3₁₀ helix	trans	-74.1	-19.1	178.8	-81.3	-12	0	0	0	113.2	S25 I26 Y30	S25-N28 PolarHBondContact O-N 3.14Å; I26-N28 VanDerWaalsContact C-N 3.25Å; I26-N28 PolarHBondContact O-N 3.36Å; N28-Y30 VanDerWaalsContact C-N 3.32Å
29	I	53.9	Low	46.7	Very low	121 Å²	121	133.3 Å²	133.3	62%	0.621	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-72.8	-29.5	-179.1	-59.3	175.4	0	0	0	110.6	I26 D27 R31	I26-I29 WeakPolarHBondContact O-CB 3.4Å; I26-I29 PolarHBondContact O-N 2.82Å; D27-I29 VanDerWaalsContact C-N 3.28Å; D27-I29 PolarHBondContact O-N 2.87Å; I29-R31 VanDerWaalsContact C-N 3.34Å; I29-R31 PolarHBondContact O-N 3.26Å
30	Y	47.9	Very low	46.9	Very low	181 Å²	181	129 Å²	129	71%	0.71	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-81.5	-7.8	-178.5	-71.6	-79.4	0	0	0	114.5	I26 N28 V32	I26-Y30 HydrophobicContact CG2-CE2 4.23Å; N28-Y30 VanDerWaalsContact C-N 3.32Å; Y30-V32 PolarHBondContact O-N 3.42Å
31	R	49	Very low	47.4	Very low	221 Å²	221	126.1 Å²	126.1	83%	0.834	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-85.8	-2.2	-172.2	-147.6	178.6	176.6	-156.7	-3.6	114.7	I29	I29-R31 VanDerWaalsContact C-N 3.34Å; I29-R31 PolarHBondContact O-N 3.26Å
32	V	50.1	Low	47.9	Very low	72 Å²	72	122 Å²	122	44%	0.436	65%	0.647	S	S	.	*	G	3₁₀ helix	trans	-98.2	17.7	-173.3	-170	0	0	0	0	112.8	Y30	Y30-V32 PolarHBondContact O-N 3.42Å
33	V	43.5	Very low	48.4	Very low	94 Å²	94	120.6 Å²	120.6	57%	0.57	64%	0.64	S	S	*	*			trans	-108.1	85.9	-171.8	-173.1	0	0	0	0	111.2
34	G	36.3	Very low	48.8	Very low	52 Å²	52	115.4 Å²	115.4	54%	0.536	62%	0.621	S	S	.	*			trans	171.1	78.2	166.4	0	0	0	0	0	115.6
35	C	41.8	Very low	49.2	Very low	82 Å²	82	115.5 Å²	115.5	55%	0.554	61%	0.614	S	S	*	*			trans	-168.9	142.5	152	-96.8	0	0	0	0	112.3	C66 T68	C35-C66 HydrophobicContact CB-CB 4.33Å; C35-T68 WeakPolarHBondContact O-CG2 3.25Å; C35-T68 PolarHBondContact O-OG1 3.46Å
36	H	42.2	Very low	50.3	Low	196 Å²	196	118.1 Å²	118.1	91%	0.907	62%	0.621	S	S	*	*			trans	-66.2	148.4	-166.7	-69.9	-93.2	0	0	0	117
37	Q	41.2	Very low	50.7	Low	130 Å²	130	115.6 Å²	115.6	61%	0.607	61%	0.606	S	S	*	*			trans	-90.8	152.7	-176.3	-159.6	165.1	20.7	0	0	113.7
38	P	43.2	Very low	51.3	Low	126 Å²	126	113.3 Å²	113.3	82%	0.818	59%	0.593	S	S	*	*				-137.8	125.7	123.2	32.1	-16.4	0	0	0	114.7
39	H	40.6	Very low	52.1	Low	149 Å²	149	113.5 Å²	113.5	69%	0.69	59%	0.59	S	S	*	*			trans	1.7	119.9	149.4	-127.5	-41	0	0	0	119.2	D41	H39-D41 IonicContact CE1-OD1 3.14Å; H39-D41 PolarHBondContact CE1-OD1 3.02Å; H39-D41 IonicContact CE1-OD2 3.36Å; H39-D41 PolarHBondContact CE1-OD2 2.72Å; H39-D41 IonicContact ND1-OD1 2.82Å; H39-D41 PolarHBondContact ND1-OD1 3.45Å; H39-D41 IonicContact ND1-OD2 3.68Å
40	S	43.6	Very low	52.8	Low	70 Å²	70	111 Å²	111	49%	0.49	58%	0.576	S	S	.	*			trans	-164.4	103.6	149.9	-170.1	0	0	0	0	111.2	S42	S40-S42 PolarHBondContact O-N 3.39Å
41	D	50.1	Low	53.7	Low	121 Å²	121	103.7 Å²	103.7	65%	0.647	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	28.5	-158.9	-58.6	-17.7	0	0	0	116.4	H39	H39-D41 IonicContact CE1-OD1 3.14Å; H39-D41 PolarHBondContact CE1-OD1 3.02Å; H39-D41 IonicContact CE1-OD2 3.36Å; H39-D41 PolarHBondContact CE1-OD2 2.72Å; H39-D41 IonicContact ND1-OD1 2.82Å; H39-D41 PolarHBondContact ND1-OD1 3.45Å; H39-D41 IonicContact ND1-OD2 3.68Å
42	S	52.5	Low	54.7	Low	113 Å²	113	95.7 Å²	95.7	79%	0.79	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.1	-12.1	-178.5	168.2	0	0	0	0	114.2	S40	S40-S42 PolarHBondContact O-N 3.39Å
43	E	59.1	Low	55.7	Low	112 Å²	112	97.6 Å²	97.6	52%	0.523	53%	0.526	S	S	.	.	S	Bend	trans	-97.6	-1.5	175.5	-68.4	-179.9	167	0	0	112.6	L45 K47	E43-L45 PolarHBondContact O-N 2.73Å; E43-K47 HydrophobicContact CB-CD 4.3Å; E43-K47 WeakPolarHBondContact O-CG 3.37Å; E43-K47 PolarHBondContact O-N 3.49Å; E43-K47 WeakPolarHBondContact OE2-CE 3.49Å; E43-K47 IonicContact OE2-NZ 2.72Å; E43-K47 PolarHBondContact OE2-NZ 2.8Å
44	D	62.1	Low	56.8	Low	73 Å²	73	95.8 Å²	95.8	39%	0.39	51%	0.511	S	S	.	.	H	α-helix	trans	-71.5	-30.9	-167.4	-71.9	-26.8	0	0	0	113.5	K47 L48	D44-K47 PolarHBondContact O-N 3.36Å; D44-L48 WeakPolarHBondContact O-CB 2.93Å; D44-L48 PolarHBondContact O-N 3.44Å
45	L	63.3	Low	58.3	Low	131 Å²	131	97.6 Å²	97.6	69%	0.686	52%	0.521	S	S	*	.	H	α-helix	trans	-67.7	-44.6	-179.2	-173.6	69.2	0	0	0	112	E43 L48 K49	E43-L45 PolarHBondContact O-N 2.73Å; L45-L48 PolarHBondContact O-N 2.89Å; L45-K49 VanDerWaalsContact O-CB 3.31Å; L45-K49 WeakPolarHBondContact O-CB 3.14Å; L45-K49 PolarHBondContact O-N 2.95Å
46	E	69.5	Low	59.4	Low	102 Å²	102	98.5 Å²	98.5	48%	0.477	52%	0.52	S	S	.	.	H	α-helix	trans	-72	-36.1	178.4	-71.9	-61.8	141.8	0	0	111.1	K49 M50	E46-K49 PolarHBondContact O-N 3.49Å; E46-K49 IonicContact OE1-NZ 3.99Å; E46-K49 IonicContact OE2-NZ 2.7Å; E46-M50 WeakPolarHBondContact O-CB 3.26Å; E46-M50 WeakPolarHBondContact O-CG 3.21Å; E46-M50 PolarHBondContact O-N 2.7Å
47	K	67.2	Low	60.6	Low	70 Å²	70	92 Å²	92	30%	0.304	51%	0.506	S	S	.	.	H	α-helix	trans	-63.3	-42.5	172.1	-73.2	174.9	-173.5	164.9	0	112	E43 D44 M50 A51 L65 I67	E43-K47 HydrophobicContact CB-CD 4.3Å; E43-K47 WeakPolarHBondContact O-CG 3.37Å; E43-K47 PolarHBondContact O-N 3.49Å; E43-K47 WeakPolarHBondContact OE2-CE 3.49Å; E43-K47 IonicContact OE2-NZ 2.72Å; E43-K47 PolarHBondContact OE2-NZ 2.8Å; D44-K47 PolarHBondContact O-N 3.36Å; K47-M50 HydrophobicContact CG-CE 4.34Å; K47-M50 PolarHBondContact O-N 3.11Å; K47-A51 WeakPolarHBondContact O-CB 3.28Å; K47-A51 PolarHBondContact O-N 3.07Å; K47-L65 HydrophobicContact CG-CD2 4.48Å; K47-I67 HydrophobicContact CB-CD1 4.44Å
48	L	65.6	Low	61.7	Low	75 Å²	75	91.9 Å²	91.9	39%	0.393	51%	0.509	S	S	.	.	H	α-helix	trans	-62.6	-44.1	175.8	-169.8	72.2	0	0	0	111.2	D44 L45 M50 A51 L52 L77	D44-L48 WeakPolarHBondContact O-CB 2.93Å; D44-L48 PolarHBondContact O-N 3.44Å; L45-L48 PolarHBondContact O-N 2.89Å; L48-M50 VanDerWaalsContact C-N 3.35Å; L48-A51 PolarHBondContact O-N 2.83Å; L48-L52 WeakPolarHBondContact O-CB 3.47Å; L48-L52 PolarHBondContact O-N 3.03Å; L48-L77 HydrophobicContact CD1-CD1 4.28Å; L48-L77 HydrophobicContact CD1-CD2 3.77Å; L48-L77 HydrophobicContact CD1-CG 4.41Å
49	K	70.5	Confident	62.4	Low	92 Å²	92	88.7 Å²	88.7	40%	0.4	49%	0.485	S	S	.	.	H	α-helix	trans	-64.4	-39	177	-173.7	-179.7	178.3	-174.4	0	112	L45 E46 R53	L45-K49 VanDerWaalsContact O-CB 3.31Å; L45-K49 WeakPolarHBondContact O-CB 3.14Å; L45-K49 PolarHBondContact O-N 2.95Å; E46-K49 PolarHBondContact O-N 3.49Å; E46-K49 IonicContact OE1-NZ 3.99Å; E46-K49 IonicContact OE2-NZ 2.7Å; K49-R53 WeakPolarHBondContact O-CB 3.11Å; K49-R53 VanDerWaalsContact O-CG 3.27Å; K49-R53 WeakPolarHBondContact O-CG 3.38Å; K49-R53 PolarHBondContact O-N 3.17Å
50	M	68.6	Low	63.3	Low	69 Å²	69	87.2 Å²	87.2	34%	0.34	49%	0.489	S	S	.	.	H	α-helix	trans	-65.2	-45.4	173	-76.8	-170.1	-73.2	0	0	111.6	E46 K47 L48 L52 R53 Q54 L62	E46-M50 WeakPolarHBondContact O-CB 3.26Å; E46-M50 WeakPolarHBondContact O-CG 3.21Å; E46-M50 PolarHBondContact O-N 2.7Å; K47-M50 HydrophobicContact CG-CE 4.34Å; K47-M50 PolarHBondContact O-N 3.11Å; L48-M50 VanDerWaalsContact C-N 3.35Å; M50-L52 VanDerWaalsContact C-N 3.34Å; M50-L52 PolarHBondContact O-N 3.26Å; M50-R53 PolarHBondContact O-N 3.26Å; M50-Q54 WeakPolarHBondContact O-CB 3.43Å; M50-Q54 PolarHBondContact O-N 3.03Å; M50-L62 HydrophobicContact CB-CD2 3.81Å; M50-L62 HydrophobicContact CG-CD2 3.95Å; M50-L62 HydrophobicContact SD-CD2 4.18Å
51	A	66.9	Low	63.9	Low	27 Å²	27	90.5 Å²	90.5	22%	0.223	50%	0.501	C	S	.	.	H	α-helix	trans	-62.2	-40.1	176.5	0	0	0	0	0	112.3	K47 L48 Q54 A55 I67	K47-A51 WeakPolarHBondContact O-CB 3.28Å; K47-A51 PolarHBondContact O-N 3.07Å; L48-A51 PolarHBondContact O-N 2.83Å; A51-Q54 PolarHBondContact O-N 3.46Å; A51-A55 WeakPolarHBondContact O-CB 3.18Å; A51-A55 PolarHBondContact O-N 3.37Å; A51-I67 HydrophobicContact CB-CD1 3.67Å
52	L	70.2	Confident	64.1	Low	54 Å²	54	87.1 Å²	87.1	28%	0.283	48%	0.482	S	S	.	.	H	α-helix	trans	-65.1	-43	175.5	-160.1	99.7	0	0	0	111.5	L48 M50 Q54 A55 L56	L48-L52 WeakPolarHBondContact O-CB 3.47Å; L48-L52 PolarHBondContact O-N 3.03Å; M50-L52 VanDerWaalsContact C-N 3.34Å; M50-L52 PolarHBondContact O-N 3.26Å; L52-Q54 VanDerWaalsContact C-N 3.29Å; L52-Q54 PolarHBondContact O-N 2.8Å; L52-A55 PolarHBondContact O-N 2.89Å; L52-L56 HydrophobicContact CD2-CD1 3.76Å; L52-L56 HydrophobicContact CG-CD1 3.89Å; L52-L56 WeakPolarHBondContact O-CB 3.45Å; L52-L56 WeakPolarHBondContact O-CD1 3.4Å; L52-L56 VanDerWaalsContact O-CG 3.26Å; L52-L56 WeakPolarHBondContact O-CG 3.43Å; L52-L56 PolarHBondContact O-N 2.66Å
53	R	71.5	Confident	64.3	Low	111 Å²	111	86.8 Å²	86.8	42%	0.419	48%	0.477	S	S	.	.	H	α-helix	trans	-61	-38.7	174.9	-77.9	173.3	174.6	177.4	-3.8	112.2	K49 M50 G57 L58	K49-R53 WeakPolarHBondContact O-CB 3.11Å; K49-R53 VanDerWaalsContact O-CG 3.27Å; K49-R53 WeakPolarHBondContact O-CG 3.38Å; K49-R53 PolarHBondContact O-N 3.17Å; M50-R53 PolarHBondContact O-N 3.26Å; R53-G57 PolarHBondContact O-N 2.81Å; R53-L58 PolarHBondContact O-N 3.44Å
54	Q	67	Low	64	Low	56 Å²	56	90.1 Å²	90.1	26%	0.262	49%	0.493	S	S	.	.	H	α-helix	trans	-68.4	-46.7	176.9	-170.5	166	36	0	0	111.2	M50 A51 L52 L56 G57 L62 P63	M50-Q54 WeakPolarHBondContact O-CB 3.43Å; M50-Q54 PolarHBondContact O-N 3.03Å; A51-Q54 PolarHBondContact O-N 3.46Å; L52-Q54 VanDerWaalsContact C-N 3.29Å; L52-Q54 PolarHBondContact O-N 2.8Å; Q54-L56 VanDerWaalsContact C-N 3.3Å; Q54-L56 PolarHBondContact O-N 3.49Å; Q54-G57 PolarHBondContact O-N 3.21Å; Q54-G57 VanDerWaalsContact O-N 3.09Å; Q54-L62 PolarHBondContact NE2-O 3.21Å; Q54-P63 PolarHBondContact NE2-O 3.45Å
55	A	67.5	Low	63.6	Low	90 Å²	90	90.1 Å²	90.1	74%	0.744	49%	0.493	S	S	*	.	H	α-helix	trans	-62.6	-35.7	177.3	0	0	0	0	0	112.8	A51 L52 G57	A51-A55 WeakPolarHBondContact O-CB 3.18Å; A51-A55 PolarHBondContact O-N 3.37Å; L52-A55 PolarHBondContact O-N 2.89Å; A55-G57 VanDerWaalsContact C-N 3.29Å
56	L	65.8	Low	62.9	Low	101 Å²	101	86.6 Å²	86.6	53%	0.529	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-1.5	177.2	-67.3	167.1	0	0	0	113.4	L52 Q54 L58	L52-L56 HydrophobicContact CD2-CD1 3.76Å; L52-L56 HydrophobicContact CG-CD1 3.89Å; L52-L56 WeakPolarHBondContact O-CB 3.45Å; L52-L56 WeakPolarHBondContact O-CD1 3.4Å; L52-L56 VanDerWaalsContact O-CG 3.26Å; L52-L56 WeakPolarHBondContact O-CG 3.43Å; L52-L56 PolarHBondContact O-N 2.66Å; Q54-L56 VanDerWaalsContact C-N 3.3Å; Q54-L56 PolarHBondContact O-N 3.49Å; L56-L58 HydrophobicContact CB-CD1 3.3Å; L56-L58 HydrophobicContact CD1-CD1 4.18Å; L56-L58 HydrophobicContact CG-CD1 4.36Å; L56-L58 PolarHBondContact O-N 3.42Å
57	G	65.6	Low	62.2	Low	59 Å²	59	84.3 Å²	84.3	61%	0.608	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	20.2	179.6	0	0	0	0	0	114.6	R53 Q54 A55 D59	R53-G57 PolarHBondContact O-N 2.81Å; Q54-G57 PolarHBondContact O-N 3.21Å; Q54-G57 VanDerWaalsContact O-N 3.09Å; A55-G57 VanDerWaalsContact C-N 3.29Å; G57-D59 VanDerWaalsContact C-N 3.27Å; G57-D59 PolarHBondContact O-N 2.87Å
58	L	64.4	Low	61.5	Low	128 Å²	128	82.8 Å²	82.8	67%	0.67	47%	0.465	S	S	*	.	S	Bend	trans	-73.7	-17.3	180	-88.3	93.6	0	0	0	113.2	R53 L56	R53-L58 PolarHBondContact O-N 3.44Å; L56-L58 HydrophobicContact CB-CD1 3.3Å; L56-L58 HydrophobicContact CD1-CD1 4.18Å; L56-L58 HydrophobicContact CG-CD1 4.36Å; L56-L58 PolarHBondContact O-N 3.42Å
59	D	58.4	Low	61	Low	59 Å²	59	80.5 Å²	80.5	32%	0.316	46%	0.455	S	S	.	.			trans	-140.8	104.7	179.2	-157	-25.1	0	0	0	111.4	G57 N61 L62	G57-D59 VanDerWaalsContact C-N 3.27Å; G57-D59 PolarHBondContact O-N 2.87Å; D59-N61 PolarHBondContact O-N 2.9Å; D59-N61 PolarHBondContact OD1-N 2.8Å; D59-N61 VanDerWaalsContact OD1-N 3.17Å; D59-L62 HydrophobicContact CB-CD1 3.99Å; D59-L62 VanDerWaalsContact OD2-CD1 3.25Å; D59-L62 WeakPolarHBondContact OD2-CD1 3.39Å
60	P	59.1	Low	60.7	Low	118 Å²	118	80.3 Å²	80.3	77%	0.766	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-2.6	179.5	29.2	-32.8	0	0	0	113.6
61	N	57.7	Low	60.5	Low	140 Å²	140	81.7 Å²	81.7	75%	0.749	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	8.4	-174.9	-64.2	-69	0	0	0	114.5	D59	D59-N61 PolarHBondContact O-N 2.9Å; D59-N61 PolarHBondContact OD1-N 2.8Å; D59-N61 VanDerWaalsContact OD1-N 3.17Å
62	L	54.4	Low	60.5	Low	49 Å²	49	85.5 Å²	85.5	26%	0.257	48%	0.484	S	S	.	.	S	Bend	trans	-85.8	132.6	179.7	-108.4	75.6	0	0	0	111.8	M50 Q54 D59	M50-L62 HydrophobicContact CB-CD2 3.81Å; M50-L62 HydrophobicContact CG-CD2 3.95Å; M50-L62 HydrophobicContact SD-CD2 4.18Å; Q54-L62 PolarHBondContact NE2-O 3.21Å; D59-L62 HydrophobicContact CB-CD1 3.99Å; D59-L62 VanDerWaalsContact OD2-CD1 3.25Å; D59-L62 WeakPolarHBondContact OD2-CD1 3.39Å
63	P	55.8	Low	60.2	Low	106 Å²	106	86.8 Å²	86.8	69%	0.688	49%	0.488	S	S	*	.			trans	-57	141.7	172.7	23.9	-31.9	0	0	0	110.1	Q54 L65	Q54-P63 PolarHBondContact NE2-O 3.45Å; P63-L65 PolarHBondContact O-N 2.81Å
64	E	53.9	Low	59.8	Low	182 Å²	182	85.4 Å²	85.4	85%	0.85	49%	0.486	S	S	*	.			trans	-58.5	92.2	179.1	-155.9	172.2	-164.8	0	0	109.5	C66	E64-C66 PolarHBondContact O-N 3.09Å
65	L	52.4	Low	60	Low	74 Å²	74	87.9 Å²	87.9	39%	0.387	50%	0.501	S	S	.	.			trans	-88.4	95.5	-177.5	-165.8	72.5	0	0	0	107.7	K47 P63 I67	K47-L65 HydrophobicContact CG-CD2 4.48Å; P63-L65 PolarHBondContact O-N 2.81Å; L65-I67 HydrophobicContact CD2-CD1 4.08Å; L65-I67 HydrophobicContact CD2-CG1 4.19Å; L65-I67 HydrophobicContact CG-CG1 4.18Å; L65-I67 PolarHBondContact O-N 3.39Å
66	C	48.7	Very low	60.2	Low	56 Å²	56	91.5 Å²	91.5	38%	0.378	50%	0.496	S	S	.	.			trans	-71.5	95.2	177.1	-153.5	0	0	0	0	109.2	C35 E64	C35-C66 HydrophobicContact CB-CB 4.33Å; E64-C66 PolarHBondContact O-N 3.09Å
67	I	54.5	Low	60.5	Low	55 Å²	55	89.1 Å²	89.1	28%	0.282	48%	0.483	S	S	.	.			trans	-94.7	121.1	170.3	-56.3	-176.7	0	0	0	106.2	K47 A51 L65 P69	K47-I67 HydrophobicContact CB-CD1 4.44Å; A51-I67 HydrophobicContact CB-CD1 3.67Å; L65-I67 HydrophobicContact CD2-CD1 4.08Å; L65-I67 HydrophobicContact CD2-CG1 4.19Å; L65-I67 HydrophobicContact CG-CG1 4.18Å; L65-I67 PolarHBondContact O-N 3.39Å; I67-P69 WeakPolarHBondContact O-CD 3.25Å
68	T	52.9	Low	60.8	Low	37 Å²	37	89.2 Å²	89.2	23%	0.227	48%	0.475	C	S	.	.			trans	-86.1	98.4	165.4	47.8	0	0	0	0	108.5	C35 D70	C35-T68 WeakPolarHBondContact O-CG2 3.25Å; C35-T68 PolarHBondContact O-OG1 3.46Å; T68-D70 PolarHBondContact O-N 2.93Å
69	P	56.4	Low	61.3	Low	27 Å²	27	86.2 Å²	86.2	18%	0.175	46%	0.464	C	S	.	.			trans	-68.6	130.2	175.1	27.6	-35.2	0	0	0	109.4	I67 Q73 Q74 L77	I67-P69 WeakPolarHBondContact O-CD 3.25Å; P69-Q73 HydrophobicContact CB-CB 4.03Å; P69-Q74 HydrophobicContact CB-CG 3.56Å; P69-Q74 HydrophobicContact CG-CG 3.3Å; P69-Q74 PolarHBondContact O-NE2 2.85Å; P69-Q74 VanDerWaalsContact O-NE2 3.08Å; P69-L77 HydrophobicContact CB-CD1 4.27Å
70	D	62.5	Low	62.1	Low	89 Å²	89	87.1 Å²	87.1	48%	0.476	47%	0.469	S	S	.	.			trans	-53.9	152.9	165	176.9	36.9	0	0	0	110.1	T68 E72 Q73 Q74	T68-D70 PolarHBondContact O-N 2.93Å; D70-E72 PolarHBondContact O-N 3.36Å; D70-E72 VanDerWaalsContact O-N 3.13Å; D70-Q73 HydrophobicContact CB-CB 4.37Å; D70-Q73 HydrophobicContact CB-CG 4.28Å; D70-Q73 CarbonylContact O-C 3.47Å; D70-Q73 WeakPolarHBondContact O-CA 3.45Å; D70-Q73 WeakPolarHBondContact O-CB 3.25Å; D70-Q73 PolarHBondContact O-N 2.87Å; D70-Q74 PolarHBondContact O-N 3.42Å
71	V	64.4	Low	62.9	Low	97 Å²	97	84.1 Å²	84.1	59%	0.588	45%	0.449	S	S	*	.	H	α-helix	trans	-57.2	-34.5	-176.2	179	0	0	0	0	111	Q74 N75	V71-Q74 PolarHBondContact O-N 3.32Å; V71-N75 WeakPolarHBondContact O-CB 3.39Å; V71-N75 VanDerWaalsContact O-CG 3.3Å; V71-N75 PolarHBondContact O-N 2.93Å; V71-N75 PolarHBondContact O-ND2 3Å
72	E	68	Low	63.7	Low	107 Å²	107	81.6 Å²	81.6	50%	0.5	43%	0.434	S	S	.	.	H	α-helix	trans	-68.1	-40.8	174	-165	176.8	166.7	0	0	112.1	D70 N75 R76	D70-E72 PolarHBondContact O-N 3.36Å; D70-E72 VanDerWaalsContact O-N 3.13Å; E72-N75 PolarHBondContact O-N 3.38Å; E72-R76 WeakPolarHBondContact O-CB 3.5Å; E72-R76 VanDerWaalsContact O-CG 3.28Å; E72-R76 WeakPolarHBondContact O-CG 3.26Å; E72-R76 PolarHBondContact O-N 2.94Å; E72-R76 IonicContact OE1-CZ 3.42Å; E72-R76 IonicContact OE1-NE 3.49Å; E72-R76 PolarHBondContact OE1-NE 3.25Å; E72-R76 IonicContact OE1-NH2 3.76Å; E72-R76 PolarHBondContact OE1-NH2 3.25Å
73	Q	63.7	Low	64.6	Low	81 Å²	81	84.8 Å²	84.8	38%	0.379	45%	0.448	S	S	.	.	H	α-helix	trans	-67.4	-36	174.4	-71	179.7	-29.9	0	0	112.2	P69 D70 R76 L77	P69-Q73 HydrophobicContact CB-CB 4.03Å; D70-Q73 HydrophobicContact CB-CB 4.37Å; D70-Q73 HydrophobicContact CB-CG 4.28Å; D70-Q73 CarbonylContact O-C 3.47Å; D70-Q73 WeakPolarHBondContact O-CA 3.45Å; D70-Q73 WeakPolarHBondContact O-CB 3.25Å; D70-Q73 PolarHBondContact O-N 2.87Å; Q73-R76 PolarHBondContact O-N 3.31Å; Q73-L77 WeakPolarHBondContact O-CB 3.32Å; Q73-L77 VanDerWaalsContact O-CG 3.26Å; Q73-L77 WeakPolarHBondContact O-CG 3.44Å; Q73-L77 PolarHBondContact O-N 2.88Å
74	Q	63.6	Low	65.3	Low	82 Å²	82	83.8 Å²	83.8	38%	0.383	44%	0.435	S	S	.	.	H	α-helix	trans	-64.6	-44.3	172.9	-73.9	-171.7	28	0	0	111.4	P69 D70 V71 R76 L77 S78	P69-Q74 HydrophobicContact CB-CG 3.56Å; P69-Q74 HydrophobicContact CG-CG 3.3Å; P69-Q74 PolarHBondContact O-NE2 2.85Å; P69-Q74 VanDerWaalsContact O-NE2 3.08Å; D70-Q74 PolarHBondContact O-N 3.42Å; V71-Q74 PolarHBondContact O-N 3.32Å; Q74-R76 VanDerWaalsContact C-N 3.33Å; Q74-R76 PolarHBondContact O-N 3.44Å; Q74-L77 PolarHBondContact O-N 3.32Å; Q74-S78 WeakPolarHBondContact O-CB 3.34Å; Q74-S78 PolarHBondContact O-N 2.89Å
75	N	69.8	Low	66	Low	108 Å²	108	79.9 Å²	79.9	58%	0.578	42%	0.419	S	S	*	.	H	α-helix	trans	-64.7	-40.2	177.5	-75.5	-17.6	0	0	0	111.2	V71 E72 S79	V71-N75 WeakPolarHBondContact O-CB 3.39Å; V71-N75 VanDerWaalsContact O-CG 3.3Å; V71-N75 PolarHBondContact O-N 2.93Å; V71-N75 PolarHBondContact O-ND2 3Å; E72-N75 PolarHBondContact O-N 3.38Å; N75-S79 VanDerWaalsContact O-CB 3.25Å; N75-S79 WeakPolarHBondContact O-CB 3.24Å; N75-S79 PolarHBondContact O-N 2.87Å
76	R	72.4	Confident	66.7	Low	167 Å²	167	80.8 Å²	80.8	63%	0.63	42%	0.423	S	S	*	.	H	α-helix	trans	-66.2	-44.5	174.5	-71.5	177.8	-174.8	-158.5	5.4	112	E72 Q73 Q74 S79 L80	E72-R76 WeakPolarHBondContact O-CB 3.5Å; E72-R76 VanDerWaalsContact O-CG 3.28Å; E72-R76 WeakPolarHBondContact O-CG 3.26Å; E72-R76 PolarHBondContact O-N 2.94Å; E72-R76 IonicContact OE1-CZ 3.42Å; E72-R76 IonicContact OE1-NE 3.49Å; E72-R76 PolarHBondContact OE1-NE 3.25Å; E72-R76 IonicContact OE1-NH2 3.76Å; E72-R76 PolarHBondContact OE1-NH2 3.25Å; Q73-R76 PolarHBondContact O-N 3.31Å; Q74-R76 VanDerWaalsContact C-N 3.33Å; Q74-R76 PolarHBondContact O-N 3.44Å; R76-S79 PolarHBondContact O-N 3.37Å; R76-L80 WeakPolarHBondContact O-CB 3.22Å; R76-L80 PolarHBondContact O-N 2.85Å
77	L	71.2	Confident	67.4	Low	50 Å²	50	83.9 Å²	83.9	26%	0.262	43%	0.433	S	S	.	.	H	α-helix	trans	-64.7	-42.1	176.3	-81.8	173.6	0	0	0	112	L48 P69 Q73 Q74 L80 T81	L48-L77 HydrophobicContact CD1-CD1 4.28Å; L48-L77 HydrophobicContact CD1-CD2 3.77Å; L48-L77 HydrophobicContact CD1-CG 4.41Å; P69-L77 HydrophobicContact CB-CD1 4.27Å; Q73-L77 WeakPolarHBondContact O-CB 3.32Å; Q73-L77 VanDerWaalsContact O-CG 3.26Å; Q73-L77 WeakPolarHBondContact O-CG 3.44Å; Q73-L77 PolarHBondContact O-N 2.88Å; Q74-L77 PolarHBondContact O-N 3.32Å; L77-L80 PolarHBondContact O-N 3.46Å; L77-T81 VanDerWaalsContact O-CB 3.25Å; L77-T81 WeakPolarHBondContact O-CB 3.4Å; L77-T81 PolarHBondContact O-N 3.36Å; L77-T81 PolarHBondContact O-OG1 2.86Å
78	S	72.3	Confident	67.6	Low	62 Å²	62	87.5 Å²	87.5	43%	0.434	45%	0.448	S	S	.	.	H	α-helix	trans	-65.1	-43.4	176.5	-175	0	0	0	0	110.6	Q74 T81 I82	Q74-S78 WeakPolarHBondContact O-CB 3.34Å; Q74-S78 PolarHBondContact O-N 2.89Å; S78-T81 PolarHBondContact O-N 3.41Å; S78-I82 WeakPolarHBondContact O-CB 3.31Å; S78-I82 WeakPolarHBondContact O-CD1 3.46Å; S78-I82 WeakPolarHBondContact O-CG1 3.27Å; S78-I82 PolarHBondContact O-N 3.47Å
79	S	75.1	Confident	67.8	Low	64 Å²	64	92.2 Å²	92.2	45%	0.448	47%	0.468	S	S	.	.	H	α-helix	trans	-61.5	-47.3	175.7	-170.7	0	0	0	0	111.2	N75 R76 T81 I82 E83	N75-S79 VanDerWaalsContact O-CB 3.25Å; N75-S79 WeakPolarHBondContact O-CB 3.24Å; N75-S79 PolarHBondContact O-N 2.87Å; R76-S79 PolarHBondContact O-N 3.37Å; S79-T81 VanDerWaalsContact C-N 3.34Å; S79-T81 PolarHBondContact O-N 3.13Å; S79-I82 PolarHBondContact O-N 3.31Å; S79-E83 PolarHBondContact O-N 3.21Å
80	L	75.4	Confident	67.7	Low	78 Å²	78	95.4 Å²	95.4	41%	0.408	48%	0.48	S	S	.	.	H	α-helix	trans	-62.4	-42	177.3	-170.3	88.6	0	0	0	111.5	R76 L77 E83 M84	R76-L80 WeakPolarHBondContact O-CB 3.22Å; R76-L80 PolarHBondContact O-N 2.85Å; L77-L80 PolarHBondContact O-N 3.46Å; L80-E83 PolarHBondContact O-N 2.91Å; L80-M84 HydrophobicContact CD2-SD 4.46Å; L80-M84 HydrophobicContact CG-SD 4.48Å; L80-M84 WeakPolarHBondContact O-CB 3.42Å; L80-M84 VanDerWaalsContact O-CG 3.29Å; L80-M84 WeakPolarHBondContact O-CG 3.37Å; L80-M84 PolarHBondContact O-N 3.29Å
81	T	74.9	Confident	67.2	Low	56 Å²	56	97.4 Å²	97.4	34%	0.344	49%	0.489	S	S	.	.	H	α-helix	trans	-67.4	-39.9	-180	-56.6	0	0	0	0	110.8	L77 S78 S79 M84 L85	L77-T81 VanDerWaalsContact O-CB 3.25Å; L77-T81 WeakPolarHBondContact O-CB 3.4Å; L77-T81 PolarHBondContact O-N 3.36Å; L77-T81 PolarHBondContact O-OG1 2.86Å; S78-T81 PolarHBondContact O-N 3.41Å; S79-T81 VanDerWaalsContact C-N 3.34Å; S79-T81 PolarHBondContact O-N 3.13Å; T81-M84 PolarHBondContact O-N 3.35Å; T81-L85 HydrophobicContact CG2-CD1 4.11Å; T81-L85 HydrophobicContact CG2-CG 4.45Å; T81-L85 WeakPolarHBondContact O-CB 3.29Å; T81-L85 VanDerWaalsContact O-CG 3.24Å; T81-L85 WeakPolarHBondContact O-CG 3.41Å; T81-L85 PolarHBondContact O-N 3.17Å
82	I	75.1	Confident	66.5	Low	86 Å²	86	99.8 Å²	99.8	44%	0.441	50%	0.499	S	S	.	.	H	α-helix	trans	-65.4	-44.2	174.8	-69.5	164.8	0	0	0	110.3	S78 S79 M84 L85 I86	S78-I82 WeakPolarHBondContact O-CB 3.31Å; S78-I82 WeakPolarHBondContact O-CD1 3.46Å; S78-I82 WeakPolarHBondContact O-CG1 3.27Å; S78-I82 PolarHBondContact O-N 3.47Å; S79-I82 PolarHBondContact O-N 3.31Å; I82-M84 VanDerWaalsContact C-N 3.34Å; I82-M84 PolarHBondContact O-N 3.44Å; I82-L85 PolarHBondContact O-N 2.97Å; I82-I86 HydrophobicContact CG2-CD1 3.58Å; I82-I86 HydrophobicContact CG2-CG1 4.24Å; I82-I86 WeakPolarHBondContact O-CB 3.45Å; I82-I86 VanDerWaalsContact O-CG1 3.22Å; I82-I86 WeakPolarHBondContact O-CG1 3.32Å; I82-I86 PolarHBondContact O-N 3.28Å
83	E	73.3	Confident	65.9	Low	116 Å²	116	99.6 Å²	99.6	54%	0.542	51%	0.505	S	S	.	.	H	α-helix	trans	-59.3	-45.1	174.3	-80.1	-174.8	164.8	0	0	111.6	S79 L80 L85 I86 E87	S79-E83 PolarHBondContact O-N 3.21Å; L80-E83 PolarHBondContact O-N 2.91Å; E83-L85 PolarHBondContact O-N 2.88Å; E83-I86 PolarHBondContact O-N 2.89Å; E83-E87 WeakPolarHBondContact O-CB 3.42Å; E83-E87 WeakPolarHBondContact O-CG 3.24Å; E83-E87 PolarHBondContact O-N 2.83Å
84	M	71.1	Confident	65.1	Low	86 Å²	86	101.3 Å²	101.3	42%	0.424	51%	0.513	S	S	.	.	H	α-helix	trans	-64.4	-38.3	176.5	-72.5	-176.3	69.7	0	0	112.7	L80 T81 I82 Q88	L80-M84 HydrophobicContact CD2-SD 4.46Å; L80-M84 HydrophobicContact CG-SD 4.48Å; L80-M84 WeakPolarHBondContact O-CB 3.42Å; L80-M84 VanDerWaalsContact O-CG 3.29Å; L80-M84 WeakPolarHBondContact O-CG 3.37Å; L80-M84 PolarHBondContact O-N 3.29Å; T81-M84 PolarHBondContact O-N 3.35Å; I82-M84 VanDerWaalsContact C-N 3.34Å; I82-M84 PolarHBondContact O-N 3.44Å; M84-Q88 VanDerWaalsContact O-CB 3.24Å; M84-Q88 WeakPolarHBondContact O-CB 3.46Å; M84-Q88 PolarHBondContact O-N 3.34Å
85	L	67.8	Low	64.8	Low	99 Å²	99	101.7 Å²	101.7	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-67.8	-40.6	176.3	-75.9	170.1	0	0	0	111.6	T81 I82 E83 Q88 E89	T81-L85 HydrophobicContact CG2-CD1 4.11Å; T81-L85 HydrophobicContact CG2-CG 4.45Å; T81-L85 WeakPolarHBondContact O-CB 3.29Å; T81-L85 VanDerWaalsContact O-CG 3.24Å; T81-L85 WeakPolarHBondContact O-CG 3.41Å; T81-L85 PolarHBondContact O-N 3.17Å; I82-L85 PolarHBondContact O-N 2.97Å; E83-L85 PolarHBondContact O-N 2.88Å; L85-Q88 PolarHBondContact O-N 3.36Å; L85-E89 WeakPolarHBondContact O-CB 3.08Å; L85-E89 PolarHBondContact O-N 3.46Å
86	I	68.8	Low	63.9	Low	93 Å²	93	106 Å²	106	48%	0.477	53%	0.532	S	S	.	.	H	α-helix	trans	-66.5	-43.5	175.5	-68.6	168	0	0	0	110.3	I82 E83 Q88 E89 E90	I82-I86 HydrophobicContact CG2-CD1 3.58Å; I82-I86 HydrophobicContact CG2-CG1 4.24Å; I82-I86 WeakPolarHBondContact O-CB 3.45Å; I82-I86 VanDerWaalsContact O-CG1 3.22Å; I82-I86 WeakPolarHBondContact O-CG1 3.32Å; I82-I86 PolarHBondContact O-N 3.28Å; E83-I86 PolarHBondContact O-N 2.89Å; I86-Q88 VanDerWaalsContact C-N 3.31Å; I86-Q88 PolarHBondContact O-N 2.82Å; I86-E89 PolarHBondContact O-N 3.45Å; I86-E90 WeakPolarHBondContact O-CB 3.4Å; I86-E90 PolarHBondContact O-N 3.28Å
87	E	62	Low	62.7	Low	122 Å²	122	100 Å²	100	57%	0.57	52%	0.522	S	S	*	.	H	α-helix	trans	-61.4	-41.4	174.3	-78.6	-173.8	169	0	0	111	E83 E89 E90 I91	E83-E87 WeakPolarHBondContact O-CB 3.42Å; E83-E87 WeakPolarHBondContact O-CG 3.24Å; E83-E87 PolarHBondContact O-N 2.83Å; E87-E89 VanDerWaalsContact C-N 3.35Å; E87-E90 PolarHBondContact O-N 3.31Å; E87-I91 WeakPolarHBondContact O-CB 3.36Å; E87-I91 VanDerWaalsContact O-CD1 3.28Å; E87-I91 WeakPolarHBondContact O-CD1 3.43Å; E87-I91 WeakPolarHBondContact O-CG1 3.28Å; E87-I91 PolarHBondContact O-N 3.11Å
88	Q	59.5	Low	61.8	Low	131 Å²	131	107.3 Å²	107.3	61%	0.612	55%	0.546	S	S	*	.	H	α-helix	trans	-67.3	-35.5	177.7	-161.7	173.6	12.3	0	0	112.2	M84 L85 I86 D92	M84-Q88 VanDerWaalsContact O-CB 3.24Å; M84-Q88 WeakPolarHBondContact O-CB 3.46Å; M84-Q88 PolarHBondContact O-N 3.34Å; L85-Q88 PolarHBondContact O-N 3.36Å; I86-Q88 VanDerWaalsContact C-N 3.31Å; I86-Q88 PolarHBondContact O-N 2.82Å; Q88-D92 PolarHBondContact O-N 3.33Å
89	E	56.9	Low	60.7	Low	136 Å²	136	107.3 Å²	107.3	64%	0.636	56%	0.556	S	S	*	*	H	α-helix	trans	-68.1	-42.7	171.8	-173.4	175.5	-171.6	0	0	111.5	L85 I86 E87 I91 D92 V93	L85-E89 WeakPolarHBondContact O-CB 3.08Å; L85-E89 PolarHBondContact O-N 3.46Å; I86-E89 PolarHBondContact O-N 3.45Å; E87-E89 VanDerWaalsContact C-N 3.35Å; E89-I91 VanDerWaalsContact C-N 3.3Å; E89-I91 PolarHBondContact O-N 3.09Å; E89-D92 PolarHBondContact O-N 3.41Å; E89-D92 VanDerWaalsContact O-N 3.09Å; E89-V93 WeakPolarHBondContact O-CG2 3.07Å; E89-V93 PolarHBondContact O-N 2.9Å
90	E	54.3	Low	59.7	Low	93 Å²	93	106.1 Å²	106.1	44%	0.435	55%	0.554	S	S	.	*	H	α-helix	trans	-64.8	-34.8	176.7	-167.4	-176.3	157.2	0	0	111.7	I86 E87 D92 V93 R98	I86-E90 WeakPolarHBondContact O-CB 3.4Å; I86-E90 PolarHBondContact O-N 3.28Å; E87-E90 PolarHBondContact O-N 3.31Å; E90-D92 VanDerWaalsContact C-N 3.26Å; E90-D92 PolarHBondContact O-N 3.42Å; E90-V93 PolarHBondContact O-N 3.41Å; E90-R98 IonicContact OE1-CZ 3.28Å; E90-R98 VanDerWaalsContact OE1-CZ 3.28Å; E90-R98 IonicContact OE1-NH1 3.11Å; E90-R98 PolarHBondContact OE1-NH1 3.46Å; E90-R98 VanDerWaalsContact OE1-NH1 3.11Å; E90-R98 IonicContact OE1-NH2 2.74Å; E90-R98 PolarHBondContact OE1-NH2 2.74Å
91	I	51.4	Low	58.9	Low	131 Å²	131	109.8 Å²	109.8	67%	0.672	57%	0.572	S	S	*	*	H	α-helix	trans	-65.1	-30.7	174.5	-68.9	161	0	0	0	111.3	E87 E89	E87-I91 WeakPolarHBondContact O-CB 3.36Å; E87-I91 VanDerWaalsContact O-CD1 3.28Å; E87-I91 WeakPolarHBondContact O-CD1 3.43Å; E87-I91 WeakPolarHBondContact O-CG1 3.28Å; E87-I91 PolarHBondContact O-N 3.11Å; E89-I91 VanDerWaalsContact C-N 3.3Å; E89-I91 PolarHBondContact O-N 3.09Å
92	D	50.9	Low	57.8	Low	147 Å²	147	115.3 Å²	115.3	79%	0.786	59%	0.588	S	S	*	*	H	α-helix	trans	-85.9	-4.6	-176.5	-140.2	16.8	0	0	0	113.7	Q88 E89 E90	Q88-D92 PolarHBondContact O-N 3.33Å; E89-D92 PolarHBondContact O-N 3.41Å; E89-D92 VanDerWaalsContact O-N 3.09Å; E90-D92 VanDerWaalsContact C-N 3.26Å; E90-D92 PolarHBondContact O-N 3.42Å
93	V	54.3	Low	56.6	Low	103 Å²	103	116.5 Å²	116.5	62%	0.624	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	2.5	-177.7	178	0	0	0	0	113.2	E89 E90	E89-V93 WeakPolarHBondContact O-CG2 3.07Å; E89-V93 PolarHBondContact O-N 2.9Å; E90-V93 PolarHBondContact O-N 3.41Å
94	H	48.1	Very low	55.6	Low	118 Å²	118	113.3 Å²	113.3	55%	0.546	59%	0.59	S	S	.	*			trans	-111.2	112	179	-93	44.8	0	0	0	113.5	Y96	H94-Y96 PolarHBondContact O-N 3.24Å
95	P	56.3	Low	54.8	Low	89 Å²	89	114.5 Å²	114.5	58%	0.578	60%	0.597	S	S	*	*	S	Bend	trans	-62.5	-15.8	173.4	22.7	-29.9	0	0	0	113	Y107	P95-Y107 PolarHBondContact O-OH 2.94Å; P95-Y107 VanDerWaalsContact O-OH 3.13Å
96	Y	50.2	Low	54.2	Low	199 Å²	199	117.3 Å²	117.3	78%	0.78	61%	0.612	S	S	*	*	S	Bend	trans	-130	101.3	174.3	-57.2	-82.8	0	0	0	107.5	H94	H94-Y96 PolarHBondContact O-N 3.24Å
97	G	47.7	Very low	53.3	Low	42 Å²	42	119 Å²	119	43%	0.433	61%	0.613	S	S	.	*			trans	-53.4	161.8	-174.6	0	0	0	0	0	114.2	G99 E103	G97-G99 PolarHBondContact O-N 3.15Å; G97-G99 VanDerWaalsContact O-N 3.17Å; G97-E103 VanDerWaalsContact C-OE1 3.27Å
98	R	53.3	Low	52.9	Low	202 Å²	202	124 Å²	124	76%	0.762	63%	0.627	S	S	*	*			trans	-78	81.9	168	-82	-175.1	177.9	147	7.3	109.8	E90 G100	E90-R98 IonicContact OE1-CZ 3.28Å; E90-R98 VanDerWaalsContact OE1-CZ 3.28Å; E90-R98 IonicContact OE1-NH1 3.11Å; E90-R98 PolarHBondContact OE1-NH1 3.46Å; E90-R98 VanDerWaalsContact OE1-NH1 3.11Å; E90-R98 IonicContact OE1-NH2 2.74Å; E90-R98 PolarHBondContact OE1-NH2 2.74Å; R98-G100 VanDerWaalsContact C-N 3.26Å; R98-G100 PolarHBondContact O-N 2.78Å
99	G	49	Very low	52.7	Low	62 Å²	62	124.9 Å²	124.9	64%	0.639	64%	0.636	S	S	*	*	S	Bend	trans	56.7	16.5	146	0	0	0	0	0	119.5	G97 E103	G97-G99 PolarHBondContact O-N 3.15Å; G97-G99 VanDerWaalsContact O-N 3.17Å; G99-E103 WeakPolarHBondContact CA-OE1 3.25Å; G99-E103 WeakPolarHBondContact CA-OE2 3.14Å; G99-E103 PolarHBondContact N-OE1 3.07Å
100	G	54.1	Low	52.6	Low	39 Å²	39	125.3 Å²	125.3	40%	0.402	63%	0.632	S	S	.	*			trans	-88.4	156.4	-173.2	0	0	0	0	0	113.2	R98 Y102 E103	R98-G100 VanDerWaalsContact C-N 3.26Å; R98-G100 PolarHBondContact O-N 2.78Å; G100-Y102 PolarHBondContact O-N 2.81Å; G100-E103 VanDerWaalsContact O-CB 3.25Å; G100-E103 WeakPolarHBondContact O-CB 3.42Å; G100-E103 PolarHBondContact O-N 3.17Å
101	I	57.5	Low	52.7	Low	155 Å²	155	126.5 Å²	126.5	80%	0.795	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-3.2	176.8	48.1	167.8	0	0	0	115.7
102	Y	52.9	Low	53.1	Low	172 Å²	172	131.3 Å²	131.3	68%	0.675	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	0.7	173.4	-63.9	-85.3	0	0	0	113.3	G100 G104 I105	G100-Y102 PolarHBondContact O-N 2.81Å; Y102-G104 PolarHBondContact O-N 2.79Å; Y102-G104 VanDerWaalsContact O-N 3.15Å; Y102-I105 HydrophobicContact CD1-CD1 3.88Å; Y102-I105 PolarHBondContact O-N 2.79Å
103	E	49.7	Very low	53.5	Low	111 Å²	111	132.2 Å²	132.2	52%	0.519	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.4	115.2	167.5	-83.3	-169.4	145.2	0	0	109.5	G97 G99 G100	G97-E103 VanDerWaalsContact C-OE1 3.27Å; G99-E103 WeakPolarHBondContact CA-OE1 3.25Å; G99-E103 WeakPolarHBondContact CA-OE2 3.14Å; G99-E103 PolarHBondContact N-OE1 3.07Å; G100-E103 VanDerWaalsContact O-CB 3.25Å; G100-E103 WeakPolarHBondContact O-CB 3.42Å; G100-E103 PolarHBondContact O-N 3.17Å
104	G	52.2	Low	54.1	Low	50 Å²	50	136 Å²	136	52%	0.515	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	104.8	-11.4	177.6	0	0	0	0	0	115.3	Y102	Y102-G104 PolarHBondContact O-N 2.79Å; Y102-G104 VanDerWaalsContact O-N 3.15Å
105	I	54.9	Low	54.9	Low	111 Å²	111	137.1 Å²	137.1	57%	0.569	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-36.4	176.7	-45.7	-175.6	0	0	0	110.9	Y102 Y107	Y102-I105 HydrophobicContact CD1-CD1 3.88Å; Y102-I105 PolarHBondContact O-N 2.79Å; I105-Y107 VanDerWaalsContact C-N 3.3Å; I105-Y107 PolarHBondContact O-N 2.87Å
106	L	53.7	Low	55.8	Low	158 Å²	158	138.5 Å²	138.5	83%	0.827	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-17.4	176.2	-110.5	91.3	0	0	0	114.3
107	Y	50.1	Low	57.1	Low	128 Å²	128	135.7 Å²	135.7	50%	0.502	67%	0.673	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.1	-8.1	-179.4	-87.1	-86.5	0	0	0	114.3	P95 I105 N109 R110	P95-Y107 PolarHBondContact O-OH 2.94Å; P95-Y107 VanDerWaalsContact O-OH 3.13Å; I105-Y107 VanDerWaalsContact C-N 3.3Å; I105-Y107 PolarHBondContact O-N 2.87Å; Y107-N109 VanDerWaalsContact C-N 3.28Å; Y107-N109 PolarHBondContact O-N 3.41Å; Y107-R110 VanDerWaalsContact CE1-CZ 3.43Å; Y107-R110 VanDerWaalsContact CE1-NH2 3.32Å; Y107-R110 PolarHBondContact OH-NH2 3.07Å
108	R	54.8	Low	58.8	Low	226 Å²	226	140.1 Å²	140.1	85%	0.853	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-21.4	-179.4	-162.8	169.2	-179.2	151.3	-0.3	113.3
109	N	54.8	Low	60.1	Low	151 Å²	151	134.1 Å²	134.1	81%	0.807	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.4	19.5	-174.2	-111.7	21	0	0	0	114.5	Y107 P111	Y107-N109 VanDerWaalsContact C-N 3.28Å; Y107-N109 PolarHBondContact O-N 3.41Å; N109-P111 VanDerWaalsContact O-CD 3.22Å; N109-P111 WeakPolarHBondContact O-CD 3.22Å
110	R	54.6	Low	61.7	Low	145 Å²	145	133.7 Å²	133.7	55%	0.547	66%	0.663	S	S	.	*			trans	-58.1	118.8	164.4	-86.3	-159.8	-171.9	178.2	5.6	107.2	Y107 R112	Y107-R110 VanDerWaalsContact CE1-CZ 3.43Å; Y107-R110 VanDerWaalsContact CE1-NH2 3.32Å; Y107-R110 PolarHBondContact OH-NH2 3.07Å; R110-R112 PolarHBondContact O-N 3.39Å
111	P	56.8	Low	63.4	Low	117 Å²	117	137.5 Å²	137.5	76%	0.76	67%	0.669	S	S	*	*			trans	-55.9	117.9	167.6	24.3	-30.3	0	0	0	104.6	N109 E113	N109-P111 VanDerWaalsContact O-CD 3.22Å; N109-P111 WeakPolarHBondContact O-CD 3.22Å; P111-E113 PolarHBondContact O-N 3.13Å
112	R	58.3	Low	64.8	Low	233 Å²	233	135.3 Å²	135.3	88%	0.879	66%	0.658	S	S	*	*			trans	-42.7	115	177.8	-71	-178.6	176.4	175.1	-1.5	106	R110 K114	R110-R112 PolarHBondContact O-N 3.39Å; R112-K114 VanDerWaalsContact C-N 3.34Å; R112-K114 PolarHBondContact O-N 2.78Å
113	E	61.1	Low	66.6	Low	165 Å²	165	135.4 Å²	135.4	77%	0.771	66%	0.657	S	S	*	*			trans	-47.7	111.2	173.1	-81.9	176.5	176.3	0	0	104.9	P111 I115	P111-E113 PolarHBondContact O-N 3.13Å; E113-I115 PolarHBondContact O-N 2.91Å
114	K	65.6	Low	68.5	Low	183 Å²	183	136.4 Å²	136.4	80%	0.796	66%	0.66	S	S	*	*			trans	-65.9	99.6	177.3	-70.3	-179.7	-178.2	177.5	0	102.9	R112 N116	R112-K114 VanDerWaalsContact C-N 3.34Å; R112-K114 PolarHBondContact O-N 2.78Å; K114-N116 PolarHBondContact O-N 3.34Å
115	I	65.9	Low	70.2	Confident	142 Å²	142	138.3 Å²	138.3	73%	0.728	66%	0.657	S	S	*	*			trans	-51	112.5	169	-61.9	170.7	0	0	0	103.8	E113 I117	E113-I115 PolarHBondContact O-N 2.91Å; I115-I117 VanDerWaalsContact C-N 3.25Å; I115-I117 PolarHBondContact O-N 2.78Å
116	N	74.1	Confident	71.9	Confident	118 Å²	118	139.7 Å²	139.7	63%	0.631	66%	0.659	S	S	*	*			trans	-67.3	94.8	-179.1	-75.6	-44.3	0	0	0	106	K114 M118 S119 A120	K114-N116 PolarHBondContact O-N 3.34Å; N116-M118 PolarHBondContact O-N 3.15Å; N116-M118 VanDerWaalsContact O-N 3.08Å; N116-S119 WeakPolarHBondContact O-CA 3.37Å; N116-S119 VanDerWaalsContact O-CB 3.29Å; N116-S119 WeakPolarHBondContact O-CB 3.19Å; N116-S119 PolarHBondContact O-N 2.8Å; N116-A120 PolarHBondContact O-N 3.08Å; N116-A120 VanDerWaalsContact O-N 3.15Å
117	I	78.3	Confident	73.6	Confident	140 Å²	140	134.8 Å²	134.8	72%	0.718	64%	0.636	S	S	*	*	H	α-helix	trans	-52.3	-34.1	179.5	-64.8	165.2	0	0	0	109.6	I115 A120 F121	I115-I117 VanDerWaalsContact C-N 3.25Å; I115-I117 PolarHBondContact O-N 2.78Å; I117-A120 PolarHBondContact O-N 2.99Å; I117-F121 WeakPolarHBondContact O-CB 3.42Å; I117-F121 PolarHBondContact O-N 3.47Å
118	M	82.3	Confident	75.4	Confident	135 Å²	135	130.6 Å²	130.6	67%	0.665	63%	0.625	S	S	*	*	H	α-helix	trans	-60.3	-42.5	172.4	-68.1	-58.9	-74.7	0	0	113.4	N116 F121 I122	N116-M118 PolarHBondContact O-N 3.15Å; N116-M118 VanDerWaalsContact O-N 3.08Å; M118-F121 PolarHBondContact O-N 2.86Å; M118-I122 WeakPolarHBondContact O-CD1 3.34Å; M118-I122 WeakPolarHBondContact O-CG1 3.46Å; M118-I122 PolarHBondContact O-N 2.78Å
119	S	82.4	Confident	76.9	Confident	75 Å²	75	122.9 Å²	122.9	52%	0.524	61%	0.606	S	S	.	*	H	α-helix	trans	-65.2	-42.3	176.4	-173.2	0	0	0	0	111.4	N116 F121 I122 W123	N116-S119 WeakPolarHBondContact O-CA 3.37Å; N116-S119 VanDerWaalsContact O-CB 3.29Å; N116-S119 WeakPolarHBondContact O-CB 3.19Å; N116-S119 PolarHBondContact O-N 2.8Å; S119-F121 VanDerWaalsContact C-N 3.32Å; S119-I122 PolarHBondContact O-N 3.43Å; S119-W123 WeakPolarHBondContact O-CB 3.29Å; S119-W123 PolarHBondContact O-N 3.02Å
120	A	82.4	Confident	78.4	Confident	54 Å²	54	119.5 Å²	119.5	45%	0.446	59%	0.591	S	S	.	*	H	α-helix	trans	-63.7	-39.8	176.1	0	0	0	0	0	111.5	N116 I117 W123 F124	N116-A120 PolarHBondContact O-N 3.08Å; N116-A120 VanDerWaalsContact O-N 3.15Å; I117-A120 PolarHBondContact O-N 2.99Å; A120-W123 PolarHBondContact O-N 3.47Å; A120-F124 WeakPolarHBondContact O-CB 3.41Å; A120-F124 PolarHBondContact O-N 2.88Å
121	F	88.1	Confident	80	Confident	119 Å²	119	117.2 Å²	117.2	52%	0.522	59%	0.592	S	S	.	*	H	α-helix	trans	-65.6	-44.9	176.9	-175.7	-105.3	0	0	0	112.6	I117 M118 S119 W123 F124 I125	I117-F121 WeakPolarHBondContact O-CB 3.42Å; I117-F121 PolarHBondContact O-N 3.47Å; M118-F121 PolarHBondContact O-N 2.86Å; S119-F121 VanDerWaalsContact C-N 3.32Å; F121-W123 VanDerWaalsContact C-N 3.3Å; F121-W123 PolarHBondContact O-N 3.35Å; F121-F124 PolarHBondContact O-N 3.21Å; F121-I125 HydrophobicContact CD1-CD1 3.73Å; F121-I125 HydrophobicContact CE1-CD1 3.29Å; F121-I125 HydrophobicContact CE1-CG1 4.29Å; F121-I125 HydrophobicContact CE2-CD1 4.49Å; F121-I125 HydrophobicContact CZ-CD1 3.73Å; F121-I125 HydrophobicContact CZ-CG1 4.37Å; F121-I125 WeakPolarHBondContact O-CG1 3.48Å; F121-I125 PolarHBondContact O-N 3.09Å
122	I	88.6	Confident	81.2	Confident	108 Å²	108	116.5 Å²	116.5	55%	0.554	58%	0.581	S	S	*	*	H	α-helix	trans	-60.1	-43.4	175.3	-68.2	160.4	0	0	0	110.4	M118 S119 F124 I125 F126	M118-I122 WeakPolarHBondContact O-CD1 3.34Å; M118-I122 WeakPolarHBondContact O-CG1 3.46Å; M118-I122 PolarHBondContact O-N 2.78Å; S119-I122 PolarHBondContact O-N 3.43Å; I122-F124 PolarHBondContact O-N 3.32Å; I122-I125 PolarHBondContact O-N 3.48Å; I122-F126 PolarHBondContact O-N 2.9Å
123	W	89.2	Confident	82.3	Confident	174 Å²	174	110.7 Å²	110.7	66%	0.659	57%	0.566	S	S	*	*	H	α-helix	trans	-63.1	-41.7	176.8	-171.5	82.7	0	0	0	112	S119 A120 F121 I125 F126 V127	S119-W123 WeakPolarHBondContact O-CB 3.29Å; S119-W123 PolarHBondContact O-N 3.02Å; A120-W123 PolarHBondContact O-N 3.47Å; F121-W123 VanDerWaalsContact C-N 3.3Å; F121-W123 PolarHBondContact O-N 3.35Å; W123-I125 PolarHBondContact O-N 3.22Å; W123-F126 PolarHBondContact O-N 3.32Å; W123-V127 HydrophobicContact CD2-CG2 3.95Å; W123-V127 HydrophobicContact CE3-CG2 4.1Å; W123-V127 HydrophobicContact CH2-CG2 3.94Å; W123-V127 HydrophobicContact CZ2-CG2 3.77Å; W123-V127 HydrophobicContact CZ3-CG2 4.1Å; W123-V127 WeakPolarHBondContact O-CG2 3.26Å; W123-V127 PolarHBondContact O-N 3.02Å
124	F	89.4	Confident	83.2	Confident	133 Å²	133	105.3 Å²	105.3	58%	0.583	55%	0.549	S	S	*	.	H	α-helix	trans	-62.4	-41.1	176.4	-174.6	-94.2	0	0	0	112.8	A120 F121 I122 S128	A120-F124 WeakPolarHBondContact O-CB 3.41Å; A120-F124 PolarHBondContact O-N 2.88Å; F121-F124 PolarHBondContact O-N 3.21Å; I122-F124 PolarHBondContact O-N 3.32Å; F124-S128 VanDerWaalsContact O-CB 3.31Å; F124-S128 WeakPolarHBondContact O-CB 3.38Å; F124-S128 PolarHBondContact O-N 3.49Å; F124-S128 PolarHBondContact O-OG 3.09Å
125	I	88.9	Confident	83.6	Confident	89 Å²	89	97.5 Å²	97.5	46%	0.456	52%	0.521	S	S	.	.	H	α-helix	trans	-62.9	-44.9	174.7	-69	169.5	0	0	0	110.4	F121 I122 W123 S128 S129	F121-I125 HydrophobicContact CD1-CD1 3.73Å; F121-I125 HydrophobicContact CE1-CD1 3.29Å; F121-I125 HydrophobicContact CE1-CG1 4.29Å; F121-I125 HydrophobicContact CE2-CD1 4.49Å; F121-I125 HydrophobicContact CZ-CD1 3.73Å; F121-I125 HydrophobicContact CZ-CG1 4.37Å; F121-I125 WeakPolarHBondContact O-CG1 3.48Å; F121-I125 PolarHBondContact O-N 3.09Å; I122-I125 PolarHBondContact O-N 3.48Å; W123-I125 PolarHBondContact O-N 3.22Å; I125-S128 PolarHBondContact O-N 3.22Å; I125-S129 PolarHBondContact O-N 3.41Å
126	F	89.5	Confident	84.1	Confident	140 Å²	140	93.8 Å²	93.8	61%	0.614	51%	0.505	S	S	*	.	H	α-helix	trans	-60.9	-49.8	-179.7	-177.3	-99.2	0	0	0	111.8	I122 W123 S128 S129 V130	I122-F126 PolarHBondContact O-N 2.9Å; W123-F126 PolarHBondContact O-N 3.32Å; F126-S128 VanDerWaalsContact C-N 3.32Å; F126-S128 PolarHBondContact O-N 2.96Å; F126-S129 WeakPolarHBondContact O-CB 3.46Å; F126-S129 PolarHBondContact O-N 3.24Å; F126-V130 HydrophobicContact CD1-CG2 4.48Å; F126-V130 HydrophobicContact CE1-CG2 4.12Å; F126-V130 HydrophobicContact CZ-CG2 4.25Å; F126-V130 WeakPolarHBondContact O-CG2 3.43Å; F126-V130 PolarHBondContact O-N 3.36Å; F126-V130 VanDerWaalsContact O-N 3.09Å
127	V	89.3	Confident	84	Confident	55 Å²	55	93.6 Å²	93.6	33%	0.333	50%	0.502	S	S	.	.	H	α-helix	trans	-59.6	-44.3	177	173	0	0	0	0	110.8	W123 S129 V130 V131	W123-V127 HydrophobicContact CD2-CG2 3.95Å; W123-V127 HydrophobicContact CE3-CG2 4.1Å; W123-V127 HydrophobicContact CH2-CG2 3.94Å; W123-V127 HydrophobicContact CZ2-CG2 3.77Å; W123-V127 HydrophobicContact CZ3-CG2 4.1Å; W123-V127 WeakPolarHBondContact O-CG2 3.26Å; W123-V127 PolarHBondContact O-N 3.02Å; V127-S129 VanDerWaalsContact C-N 3.33Å; V127-S129 PolarHBondContact O-N 2.98Å; V127-V130 PolarHBondContact O-N 3.02Å; V127-V131 WeakPolarHBondContact O-CG2 3.31Å; V127-V131 PolarHBondContact O-N 2.73Å
128	S	88.4	Confident	83.6	Confident	40 Å²	40	91.9 Å²	91.9	28%	0.28	50%	0.498	S	S	.	.	H	α-helix	trans	-61	-41.4	178.1	-58.7	0	0	0	0	112.2	F124 I125 F126 V130 V131 I132	F124-S128 VanDerWaalsContact O-CB 3.31Å; F124-S128 WeakPolarHBondContact O-CB 3.38Å; F124-S128 PolarHBondContact O-N 3.49Å; F124-S128 PolarHBondContact O-OG 3.09Å; I125-S128 PolarHBondContact O-N 3.22Å; F126-S128 VanDerWaalsContact C-N 3.32Å; F126-S128 PolarHBondContact O-N 2.96Å; S128-V130 PolarHBondContact O-N 2.99Å; S128-V131 PolarHBondContact O-N 2.93Å; S128-I132 WeakPolarHBondContact O-CG1 3.28Å; S128-I132 PolarHBondContact O-N 3.4Å
129	S	86.5	Confident	82.6	Confident	65 Å²	65	88 Å²	88	46%	0.455	48%	0.483	S	S	.	.	H	α-helix	trans	-62.5	-41.3	176.2	-174.4	0	0	0	0	112.1	I125 F126 V127 I132 M133	I125-S129 PolarHBondContact O-N 3.41Å; F126-S129 WeakPolarHBondContact O-CB 3.46Å; F126-S129 PolarHBondContact O-N 3.24Å; V127-S129 VanDerWaalsContact C-N 3.33Å; V127-S129 PolarHBondContact O-N 2.98Å; S129-I132 PolarHBondContact O-N 3.47Å; S129-M133 WeakPolarHBondContact O-CB 3.33Å; S129-M133 VanDerWaalsContact O-CG 3.26Å; S129-M133 WeakPolarHBondContact O-CG 3.47Å; S129-M133 PolarHBondContact O-N 3.42Å
130	V	87.4	Confident	81.6	Confident	79 Å²	79	88.5 Å²	88.5	48%	0.479	48%	0.482	S	S	.	.	H	α-helix	trans	-64.7	-42.5	178.3	175.1	0	0	0	0	110.8	F126 V127 S128 M133 A134	F126-V130 HydrophobicContact CD1-CG2 4.48Å; F126-V130 HydrophobicContact CE1-CG2 4.12Å; F126-V130 HydrophobicContact CZ-CG2 4.25Å; F126-V130 WeakPolarHBondContact O-CG2 3.43Å; F126-V130 PolarHBondContact O-N 3.36Å; F126-V130 VanDerWaalsContact O-N 3.09Å; V127-V130 PolarHBondContact O-N 3.02Å; S128-V130 PolarHBondContact O-N 2.99Å; V130-M133 PolarHBondContact O-N 2.75Å; V130-A134 WeakPolarHBondContact O-CB 3.47Å; V130-A134 PolarHBondContact O-N 3.43Å
131	V	86.8	Confident	80.4	Confident	97 Å²	97	88.1 Å²	88.1	59%	0.588	48%	0.479	S	S	*	.	H	α-helix	trans	-63.5	-43.9	177.8	173.6	0	0	0	0	111.5	V127 S128 A134 G135	V127-V131 WeakPolarHBondContact O-CG2 3.31Å; V127-V131 PolarHBondContact O-N 2.73Å; S128-V131 PolarHBondContact O-N 2.93Å; V131-A134 PolarHBondContact O-N 3.48Å; V131-G135 PolarHBondContact O-N 3.01Å
132	I	83	Confident	78.9	Confident	103 Å²	103	84.4 Å²	84.4	53%	0.528	47%	0.474	S	S	.	.	H	α-helix	trans	-63.1	-45.7	176.9	-66.6	165.6	0	0	0	110.2	S128 S129 A134 G135 T136	S128-I132 WeakPolarHBondContact O-CG1 3.28Å; S128-I132 PolarHBondContact O-N 3.4Å; S129-I132 PolarHBondContact O-N 3.47Å; I132-A134 PolarHBondContact O-N 3.43Å; I132-G135 PolarHBondContact O-N 3.36Å; I132-T136 HydrophobicContact CG2-CG2 4.26Å; I132-T136 VanDerWaalsContact O-CG2 3.3Å; I132-T136 WeakPolarHBondContact O-CG2 3.4Å; I132-T136 PolarHBondContact O-N 3.32Å; I132-T136 PolarHBondContact O-OG1 3.24Å
133	M	81.1	Confident	77.3	Confident	111 Å²	111	86.2 Å²	86.2	55%	0.547	48%	0.48	S	S	.	.	H	α-helix	trans	-61.5	-46	178.2	-71.6	-66.1	-78.5	0	0	111.6	S129 V130 G135 T136 I137	S129-M133 WeakPolarHBondContact O-CB 3.33Å; S129-M133 VanDerWaalsContact O-CG 3.26Å; S129-M133 WeakPolarHBondContact O-CG 3.47Å; S129-M133 PolarHBondContact O-N 3.42Å; V130-M133 PolarHBondContact O-N 2.75Å; M133-G135 VanDerWaalsContact C-N 3.34Å; M133-G135 PolarHBondContact O-N 3.37Å; M133-T136 WeakPolarHBondContact CA-OG1 3.4Å; M133-T136 PolarHBondContact O-N 3.26Å; M133-T136 PolarHBondContact O-OG1 2.82Å; M133-I137 VanDerWaalsContact O-CG1 3.28Å; M133-I137 WeakPolarHBondContact O-CG1 3.36Å; M133-I137 PolarHBondContact O-N 2.87Å
134	A	81	Confident	75.7	Confident	51 Å²	51	88 Å²	88	42%	0.421	49%	0.486	S	S	.	.	H	α-helix	trans	-59.2	-44.7	175	0	0	0	0	0	111.8	V130 V131 I132 I137 V138	V130-A134 WeakPolarHBondContact O-CB 3.47Å; V130-A134 PolarHBondContact O-N 3.43Å; V131-A134 PolarHBondContact O-N 3.48Å; I132-A134 PolarHBondContact O-N 3.43Å; A134-I137 PolarHBondContact O-N 3.06Å; A134-V138 WeakPolarHBondContact O-CG2 3.4Å; A134-V138 PolarHBondContact O-N 2.89Å
135	G	74.1	Confident	74	Confident	20 Å²	20	91.2 Å²	91.2	21%	0.206	50%	0.496	C	S	.	.	H	α-helix	trans	-58.7	-48.1	175	0	0	0	0	0	112.2	V131 I132 M133 I137 V138 T139	V131-G135 PolarHBondContact O-N 3.01Å; I132-G135 PolarHBondContact O-N 3.36Å; M133-G135 VanDerWaalsContact C-N 3.34Å; M133-G135 PolarHBondContact O-N 3.37Å; G135-I137 VanDerWaalsContact C-N 3.32Å; G135-I137 PolarHBondContact O-N 3.06Å; G135-V138 PolarHBondContact O-N 3.36Å; G135-V138 VanDerWaalsContact O-N 3.16Å; G135-T139 PolarHBondContact O-N 2.96Å; G135-T139 PolarHBondContact O-OG1 3.46Å
136	T	75.8	Confident	72	Confident	64 Å²	64	90.3 Å²	90.3	39%	0.393	50%	0.502	S	S	.	.	H	α-helix	trans	-62.1	-37.5	178.9	60.4	0	0	0	0	112.6	I132 M133 T139 V140	I132-T136 HydrophobicContact CG2-CG2 4.26Å; I132-T136 VanDerWaalsContact O-CG2 3.3Å; I132-T136 WeakPolarHBondContact O-CG2 3.4Å; I132-T136 PolarHBondContact O-N 3.32Å; I132-T136 PolarHBondContact O-OG1 3.24Å; M133-T136 WeakPolarHBondContact CA-OG1 3.4Å; M133-T136 PolarHBondContact O-N 3.26Å; M133-T136 PolarHBondContact O-OG1 2.82Å; T136-T139 PolarHBondContact O-N 3.3Å; T136-V140 WeakPolarHBondContact O-CB 3.21Å; T136-V140 WeakPolarHBondContact O-CG2 3.37Å; T136-V140 PolarHBondContact O-N 2.87Å
137	I	72.2	Confident	70	Confident	113 Å²	113	89 Å²	89	58%	0.579	51%	0.508	S	S	*	.	H	α-helix	trans	-64.4	-44.7	175.8	-65.2	162.2	0	0	0	110.1	M133 A134 G135 V140 A141	M133-I137 VanDerWaalsContact O-CG1 3.28Å; M133-I137 WeakPolarHBondContact O-CG1 3.36Å; M133-I137 PolarHBondContact O-N 2.87Å; A134-I137 PolarHBondContact O-N 3.06Å; G135-I137 VanDerWaalsContact C-N 3.32Å; G135-I137 PolarHBondContact O-N 3.06Å; I137-V140 PolarHBondContact O-N 2.91Å; I137-A141 VanDerWaalsContact O-CB 3.26Å; I137-A141 WeakPolarHBondContact O-CB 3.43Å; I137-A141 PolarHBondContact O-N 2.92Å
138	V	69.2	Low	68.2	Low	104 Å²	104	96.2 Å²	96.2	63%	0.63	54%	0.535	S	S	*	.	H	α-helix	trans	-64.7	-41.4	176.6	174.6	0	0	0	0	111.3	A134 G135 A141 G142	A134-V138 WeakPolarHBondContact O-CG2 3.4Å; A134-V138 PolarHBondContact O-N 2.89Å; G135-V138 PolarHBondContact O-N 3.36Å; G135-V138 VanDerWaalsContact O-N 3.16Å; V138-A141 PolarHBondContact O-N 3.39Å; V138-G142 PolarHBondContact O-N 3.38Å
139	T	61.5	Low	66.3	Low	55 Å²	55	100.4 Å²	100.4	34%	0.337	55%	0.554	S	S	.	*	H	α-helix	trans	-66.4	-42.5	177.8	-49.8	0	0	0	0	111.8	G135 T136 G142 H143	G135-T139 PolarHBondContact O-N 2.96Å; G135-T139 PolarHBondContact O-OG1 3.46Å; T136-T139 PolarHBondContact O-N 3.3Å; T139-G142 PolarHBondContact O-N 2.86Å; T139-H143 WeakPolarHBondContact O-CB 3.3Å; T139-H143 PolarHBondContact O-N 3.49Å
140	V	60.9	Low	64.6	Low	85 Å²	85	106 Å²	106	52%	0.515	57%	0.573	S	S	.	*	H	α-helix	trans	-68.1	-36.9	177.3	173.2	0	0	0	0	111.1	T136 I137 R144	T136-V140 WeakPolarHBondContact O-CB 3.21Å; T136-V140 WeakPolarHBondContact O-CG2 3.37Å; T136-V140 PolarHBondContact O-N 2.87Å; I137-V140 PolarHBondContact O-N 2.91Å; V140-R144 PolarHBondContact O-N 3.36Å
141	A	58.1	Low	62.6	Low	46 Å²	46	109 Å²	109	38%	0.38	59%	0.586	S	S	.	*	H	α-helix	trans	-65.9	-45	172.5	0	0	0	0	0	111.4	I137 V138 H143 R144 Y145	I137-A141 VanDerWaalsContact O-CB 3.26Å; I137-A141 WeakPolarHBondContact O-CB 3.43Å; I137-A141 PolarHBondContact O-N 2.92Å; V138-A141 PolarHBondContact O-N 3.39Å; A141-H143 VanDerWaalsContact C-N 3.31Å; A141-H143 PolarHBondContact O-N 2.81Å; A141-R144 PolarHBondContact O-N 3.16Å; A141-R144 VanDerWaalsContact O-N 3.15Å; A141-Y145 WeakPolarHBondContact O-CD2 3.37Å; A141-Y145 PolarHBondContact O-N 2.8Å
142	G	55.7	Low	60.9	Low	41 Å²	41	111.2 Å²	111.2	42%	0.423	59%	0.594	S	S	.	*	H	α-helix	trans	-59.1	-40.6	175.7	0	0	0	0	0	112.5	V138 T139 R144 Y145 A146	V138-G142 PolarHBondContact O-N 3.38Å; T139-G142 PolarHBondContact O-N 2.86Å; G142-R144 VanDerWaalsContact C-N 3.29Å; G142-R144 PolarHBondContact O-N 3.23Å; G142-Y145 PolarHBondContact O-N 3.15Å; G142-A146 VanDerWaalsContact O-CB 3.31Å; G142-A146 WeakPolarHBondContact O-CB 3.26Å; G142-A146 PolarHBondContact O-N 2.89Å
143	H	55.3	Low	59.5	Low	145 Å²	145	111.3 Å²	111.3	67%	0.671	60%	0.6	S	S	*	*	H	α-helix	trans	-71.3	-20.3	179.3	-154.6	-55.9	0	0	0	113.6	T139 A141	T139-H143 WeakPolarHBondContact O-CB 3.3Å; T139-H143 PolarHBondContact O-N 3.49Å; A141-H143 VanDerWaalsContact C-N 3.31Å; A141-H143 PolarHBondContact O-N 2.81Å
144	R	55.1	Low	58.2	Low	211 Å²	211	113.6 Å²	113.6	80%	0.796	61%	0.611	S	S	*	*	H	α-helix	trans	-88.1	-17.6	174	-71.8	-166.3	-172.7	-171.6	4.1	113.8	V140 A141 G142	V140-R144 PolarHBondContact O-N 3.36Å; A141-R144 PolarHBondContact O-N 3.16Å; A141-R144 VanDerWaalsContact O-N 3.15Å; G142-R144 VanDerWaalsContact C-N 3.29Å; G142-R144 PolarHBondContact O-N 3.23Å
145	Y	54.4	Low	56.7	Low	201 Å²	201	114.8 Å²	114.8	79%	0.788	61%	0.608	S	S	*	*	H	α-helix	trans	-114.4	0.1	-178.8	-74.4	-78.5	0	0	0	114.3	A141 G142 P147	A141-Y145 WeakPolarHBondContact O-CD2 3.37Å; A141-Y145 PolarHBondContact O-N 2.8Å; G142-Y145 PolarHBondContact O-N 3.15Å; Y145-P147 WeakPolarHBondContact O-CD 3.13Å
146	A	46.5	Very low	55.6	Low	70 Å²	70	116.4 Å²	116.4	58%	0.579	62%	0.619	S	S	*	*			trans	-73.7	113.8	179.9	0	0	0	0	0	111.6	G142	G142-A146 VanDerWaalsContact O-CB 3.31Å; G142-A146 WeakPolarHBondContact O-CB 3.26Å; G142-A146 PolarHBondContact O-N 2.89Å
147	P	48.3	Very low	54.5	Low	113 Å²	113	118.9 Å²	118.9	73%	0.734	63%	0.63	S	S	*	*			trans	-62.4	148.3	163.9	28.2	-32.3	0	0	0	109.4	Y145 D149	Y145-P147 WeakPolarHBondContact O-CD 3.13Å; P147-D149 PolarHBondContact O-N 3.42Å
148	K	50.7	Low	53.5	Low	206 Å²	206	120.6 Å²	120.6	90%	0.896	63%	0.633	S	S	*	*	S	Bend	trans	-68.4	6.7	-162.4	-114.9	176.3	-179	176.4	0	116.5
149	D	48.1	Very low	52.8	Low	128 Å²	128	121.3 Å²	121.3	68%	0.684	63%	0.632	S	S	*	*			trans	-133.4	136.5	-168.2	-62.9	-50.5	0	0	0	110.3	P147	P147-D149 PolarHBondContact O-N 3.42Å
150	E	51.3	Low	52.5	Low	183 Å²	183	123.5 Å²	123.5	86%	0.855	64%	0.642	S	S	*	*	S	Bend	trans	93.9	102.5	161.7	-49.8	176.4	-148.7	0	0	118.4
151	N	45.6	Very low	52.2	Low	141 Å²	141	126.6 Å²	126.6	75%	0.754	65%	0.649	S	S	*	*			trans	64.1	80.3	154.1	-74.5	-42.7	0	0	0	119.4	T153	N151-T153 PolarHBondContact O-N 3.28Å
152	L	51	Low	52.1	Low	144 Å²	144	126.5 Å²	126.5	75%	0.754	65%	0.653	S	S	*	*			trans	-70.6	34.2	170.3	-132.5	90.6	0	0	0	114.8	M154 H155	L152-M154 VanDerWaalsContact C-N 3.33Å; L152-M154 PolarHBondContact O-N 3.32Å; L152-H155 HydrophobicContact CD2-CB 4.15Å; L152-H155 HydrophobicContact CG-CB 4.25Å
153	T	54.1	Low	52.2	Low	106 Å²	106	130.8 Å²	130.8	65%	0.65	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-12.7	-177.5	41.5	0	0	0	0	114.1	N151	N151-T153 PolarHBondContact O-N 3.28Å
154	M	52.9	Low	52.2	Low	159 Å²	159	126.7 Å²	126.7	78%	0.783	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-14.3	175.8	-81.9	-116.8	-94.1	0	0	114.7	L152	L152-M154 VanDerWaalsContact C-N 3.33Å; L152-M154 PolarHBondContact O-N 3.32Å
155	H	49.9	Very low	52.2	Low	76 Å²	76	121.6 Å²	121.6	35%	0.352	64%	0.638	S	S	.	*	H	α-helix	trans	-81.6	-18.8	-178.5	-93.4	-77.1	0	0	0	114.2	L152	L152-H155 HydrophobicContact CD2-CB 4.15Å; L152-H155 HydrophobicContact CG-CB 4.25Å
156	A	51.6	Low	52.1	Low	54 Å²	54	121.2 Å²	121.2	45%	0.446	64%	0.641	S	S	.	*	H	α-helix	trans	-68	-37.9	178.4	0	0	0	0	0	112.3	F158 I159 D160	A156-F158 PolarHBondContact O-N 3.11Å; A156-I159 PolarHBondContact O-N 3.44Å; A156-D160 PolarHBondContact O-N 3.39Å; A156-D160 VanDerWaalsContact O-N 3.14Å
157	N	52.9	Low	52.4	Low	115 Å²	115	125.1 Å²	125.1	62%	0.615	65%	0.647	S	S	*	*	H	α-helix	trans	-70.9	-29.2	-171.7	-70.1	-8.2	0	0	0	114	F161	N157-F161 PolarHBondContact O-N 3.48Å
158	F	50.6	Low	52.5	Low	150 Å²	150	124.2 Å²	124.2	66%	0.658	64%	0.639	S	S	*	*	H	α-helix	trans	-82.8	-33.6	178.5	-87.1	-83.2	0	0	0	113.1	A156 F161 G162	A156-F158 PolarHBondContact O-N 3.11Å; F158-F161 PolarHBondContact O-N 3.19Å; F158-G162 PolarHBondContact O-N 3.05Å
159	I	55.3	Low	52.4	Low	119 Å²	119	119.3 Å²	119.3	61%	0.61	63%	0.629	S	S	*	*	H	α-helix	trans	-70.5	-37.1	177.3	-63.2	175.2	0	0	0	110	A156 F161 G162 K163	A156-I159 PolarHBondContact O-N 3.44Å; I159-F161 VanDerWaalsContact C-N 3.34Å; I159-F161 PolarHBondContact O-N 3.27Å; I159-G162 PolarHBondContact O-N 3.5Å; I159-K163 PolarHBondContact O-N 3.19Å
160	D	55.3	Low	52.5	Low	101 Å²	101	121.3 Å²	121.3	54%	0.54	64%	0.638	S	S	.	*	H	α-helix	trans	-65.9	-35.1	173	-84.9	-17.8	0	0	0	112.5	A156 G162 K163 A164	A156-D160 PolarHBondContact O-N 3.39Å; A156-D160 VanDerWaalsContact O-N 3.14Å; D160-G162 PolarHBondContact O-N 3.39Å; D160-K163 PolarHBondContact O-N 3.5Å; D160-A164 VanDerWaalsContact O-CB 3.31Å; D160-A164 WeakPolarHBondContact O-CB 3.42Å; D160-A164 PolarHBondContact O-N 2.84Å
161	F	53.4	Low	52.3	Low	149 Å²	149	119.4 Å²	119.4	65%	0.654	63%	0.632	S	S	*	*	H	α-helix	trans	-65.4	-40.4	176	-136.6	-85.2	0	0	0	112.3	N157 F158 I159 K163 A164 I165	N157-F161 PolarHBondContact O-N 3.48Å; F158-F161 PolarHBondContact O-N 3.19Å; I159-F161 VanDerWaalsContact C-N 3.34Å; I159-F161 PolarHBondContact O-N 3.27Å; F161-K163 VanDerWaalsContact C-N 3.34Å; F161-A164 PolarHBondContact O-N 2.94Å; F161-I165 HydrophobicContact CD1-CD1 4.14Å; F161-I165 WeakPolarHBondContact O-CG1 3.31Å; F161-I165 PolarHBondContact O-N 3.27Å
162	G	57.2	Low	52.1	Low	45 Å²	45	122.3 Å²	122.3	46%	0.464	64%	0.638	S	S	.	*	H	α-helix	trans	-68.4	-31.3	174.8	0	0	0	0	0	113.4	F158 I159 D160	F158-G162 PolarHBondContact O-N 3.05Å; I159-G162 PolarHBondContact O-N 3.5Å; D160-G162 PolarHBondContact O-N 3.39Å
163	K	56.1	Low	51.4	Low	131 Å²	131	126.6 Å²	126.6	57%	0.57	66%	0.661	S	S	*	*	H	α-helix	trans	-74.2	-38.6	175	-141.7	178.5	-177.4	-171.8	0	111.6	I159 D160 F161 I165 K166 E167	I159-K163 PolarHBondContact O-N 3.19Å; D160-K163 PolarHBondContact O-N 3.5Å; F161-K163 VanDerWaalsContact C-N 3.34Å; K163-I165 VanDerWaalsContact C-N 3.34Å; K163-I165 PolarHBondContact O-N 3.37Å; K163-K166 WeakPolarHBondContact O-CB 3.31Å; K163-K166 PolarHBondContact O-N 3.35Å; K163-K166 VanDerWaalsContact O-N 3.11Å; K163-E167 PolarHBondContact O-N 3.45Å
164	A	56.9	Low	51.3	Low	59 Å²	59	127.7 Å²	127.7	49%	0.488	66%	0.661	S	S	.	*	H	α-helix	trans	-64.3	-34.3	176.3	0	0	0	0	0	113	D160 F161 K166 E167	D160-A164 VanDerWaalsContact O-CB 3.31Å; D160-A164 WeakPolarHBondContact O-CB 3.42Å; D160-A164 PolarHBondContact O-N 2.84Å; F161-A164 PolarHBondContact O-N 2.94Å; A164-K166 VanDerWaalsContact C-N 3.29Å; A164-K166 PolarHBondContact O-N 3.14Å; A164-E167 PolarHBondContact O-N 3.45Å
165	I	55.1	Low	51.2	Low	104 Å²	104	126 Å²	126	53%	0.533	66%	0.655	S	S	.	*	H	α-helix	trans	-69.9	-29.2	174.5	-65.1	165.8	0	0	0	111.5	F161 K163 E167	F161-I165 HydrophobicContact CD1-CD1 4.14Å; F161-I165 WeakPolarHBondContact O-CG1 3.31Å; F161-I165 PolarHBondContact O-N 3.27Å; K163-I165 VanDerWaalsContact C-N 3.34Å; K163-I165 PolarHBondContact O-N 3.37Å; I165-E167 VanDerWaalsContact C-N 3.3Å; I165-E167 PolarHBondContact O-N 3.34Å
166	K	51.3	Low	51.3	Low	193 Å²	193	128.8 Å²	128.8	84%	0.839	67%	0.672	S	S	*	*	H	α-helix	trans	-76	-18.3	178.7	-140.5	179	-174.6	-176.5	0	113.2	K163 A164	K163-K166 WeakPolarHBondContact O-CB 3.31Å; K163-K166 PolarHBondContact O-N 3.35Å; K163-K166 VanDerWaalsContact O-N 3.11Å; A164-K166 VanDerWaalsContact C-N 3.29Å; A164-K166 PolarHBondContact O-N 3.14Å
167	E	53.5	Low	51.3	Low	151 Å²	151	133.2 Å²	133.2	71%	0.706	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	3.5	177.7	-69.6	-170.9	-177.9	0	0	113.7	K163 A164 I165 P169	K163-E167 PolarHBondContact O-N 3.45Å; A164-E167 PolarHBondContact O-N 3.45Å; I165-E167 VanDerWaalsContact C-N 3.3Å; I165-E167 PolarHBondContact O-N 3.34Å; E167-P169 WeakPolarHBondContact O-CD 3.13Å; E167-P169 VanDerWaalsContact O-N 3.12Å
168	V	49.9	Very low	51.2	Low	94 Å²	94	134.3 Å²	134.3	57%	0.57	69%	0.689	S	S	*	*			trans	-67.6	111	172	-178.1	0	0	0	0	108.4	L170	V168-L170 PolarHBondContact O-N 3.36Å
169	P	48	Very low	51.2	Low	104 Å²	104	133.3 Å²	133.3	68%	0.675	69%	0.692	S	S	*	*			trans	-66.7	129.7	176.7	28.6	-29.8	0	0	0	107.6	E167 I171	E167-P169 WeakPolarHBondContact O-CD 3.13Å; E167-P169 VanDerWaalsContact O-N 3.12Å; P169-I171 PolarHBondContact O-N 3.46Å
170	L	49.9	Very low	50.9	Low	170 Å²	170	134.3 Å²	134.3	89%	0.89	70%	0.697	S	S	*	*			trans	-32.3	103.1	166	-87.7	148.9	0	0	0	110.2	V168 K172	V168-L170 PolarHBondContact O-N 3.36Å; L170-K172 PolarHBondContact O-N 2.92Å
171	I	48.3	Very low	50.6	Low	142 Å²	142	136.8 Å²	136.8	73%	0.728	71%	0.71	S	S	*	*			trans	-62.4	107	168.5	-64.5	170.7	0	0	0	104.9	P169 L173	P169-I171 PolarHBondContact O-N 3.46Å; I171-L173 PolarHBondContact O-N 2.92Å; I171-L173 VanDerWaalsContact O-N 3.09Å
172	K	41.2	Very low	50.4	Low	203 Å²	203	135.8 Å²	135.8	88%	0.883	71%	0.714	S	S	*	*			trans	-59.3	108.9	163.7	-87	-179.5	172.6	177.1	0	106.9	L170	L170-K172 PolarHBondContact O-N 2.92Å
173	L	36.9	Very low	49.7	Very low	234 Å²	234	144.1 Å²	144.1	100%	1.225	74%	0.737	S	S	*	*			trans	-66.2	0	150.4	-103.5	94.1	0	0	0	109.4	I171	I171-L173 PolarHBondContact O-N 2.92Å; I171-L173 VanDerWaalsContact O-N 3.09Å

Retrieved 173 of 173 residues in 128.8 ms (Link to these results)

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