A0A077ZC70_TRITR Loading...

NICE-3 domain containing protein

General regulator of phagocytosis. Required to uptake Gram negative bacterium by macrophages.

AlphaFold DB , UniProt , Accession A0A077ZC70, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 250 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	41.5	Very low	46.2	Very low	243 Å²	243	160.5 Å²	160.5	100%	1.197	83%	0.834	S	S	*	*				0	118.8	0	-73.8	-167.5	167.9	0	0	106.8
2	E	45.5	Very low	46.2	Very low	185 Å²	185	158.7 Å²	158.7	86%	0.864	83%	0.826	S	S	*	*			trans	-58.8	138.9	-160	-75.3	142.2	120.7	0	0	114.3	N4	E2-N4 PolarHBondContact O-N 2.89Å
3	S	44.8	Very low	46.1	Very low	109 Å²	109	159.1 Å²	159.1	76%	0.762	82%	0.818	S	S	*	*			trans	-57.9	115.1	168.1	33.3	0	0	0	0	110.5	E5	S3-E5 PolarHBondContact O-N 3.11Å
4	N	48.5	Very low	45.9	Very low	168 Å²	168	155.3 Å²	155.3	90%	0.898	81%	0.813	S	S	*	*			trans	-63.5	94.1	170	-83.2	-48.6	0	0	0	109.7	E2 A6	E2-N4 PolarHBondContact O-N 2.89Å; N4-A6 PolarHBondContact O-N 3.2Å
5	E	49.8	Very low	45.7	Very low	179 Å²	179	151.8 Å²	151.8	84%	0.836	80%	0.801	S	S	*	*			trans	-62.5	120.7	168.1	-74.5	-174.3	139.7	0	0	109.5	S3 R7	S3-E5 PolarHBondContact O-N 3.11Å; E5-R7 PolarHBondContact O-N 2.86Å
6	A	46.2	Very low	45.4	Very low	90 Å²	90	148.9 Å²	148.9	74%	0.744	80%	0.795	S	S	*	*			trans	-57.6	108.2	173.4	0	0	0	0	0	109.1	N4 C8	N4-A6 PolarHBondContact O-N 3.2Å; A6-C8 VanDerWaalsContact C-N 3.26Å; A6-C8 PolarHBondContact O-N 2.98Å
7	R	43.3	Very low	45.2	Very low	232 Å²	232	147.7 Å²	147.7	88%	0.875	80%	0.795	S	S	*	*			trans	-58.7	90.9	165.3	-76.9	172.5	126.2	163.6	-1.8	108.8	E5 L9	E5-R7 PolarHBondContact O-N 2.86Å; R7-L9 PolarHBondContact O-N 3.18Å
8	C	44.7	Very low	45	Very low	119 Å²	119	147.3 Å²	147.3	80%	0.804	79%	0.792	S	S	*	*			trans	-65.4	89.4	157.6	-74.9	0	0	0	0	107.3	A6 S10	A6-C8 VanDerWaalsContact C-N 3.26Å; A6-C8 PolarHBondContact O-N 2.98Å; C8-S10 PolarHBondContact O-N 3.46Å
9	L	48.7	Very low	44.9	Very low	139 Å²	139	144.6 Å²	144.6	73%	0.728	79%	0.792	S	S	*	*			trans	-67.1	91.4	162.7	-73.9	169.8	0	0	0	107.1	R7 Y11	R7-L9 PolarHBondContact O-N 3.18Å; L9-Y11 VanDerWaalsContact C-N 3.26Å; L9-Y11 HydrophobicContact CB-CD2 4.47Å; L9-Y11 PolarHBondContact O-N 3.15Å
10	S	45	Very low	45	Very low	92 Å²	92	143.5 Å²	143.5	64%	0.643	79%	0.79	S	S	*	*			trans	-62.5	93.5	161	49.1	0	0	0	0	107.7	C8 N12	C8-S10 PolarHBondContact O-N 3.46Å; S10-N12 VanDerWaalsContact C-N 3.25Å; S10-N12 PolarHBondContact O-N 3.09Å
11	Y	49.7	Very low	44.8	Very low	209 Å²	209	140 Å²	140	82%	0.82	79%	0.788	S	S	*	*			trans	-67.8	93.4	164.1	-102.9	-94.7	0	0	0	107.5	L9 F13	L9-Y11 VanDerWaalsContact C-N 3.26Å; L9-Y11 HydrophobicContact CB-CD2 4.47Å; L9-Y11 PolarHBondContact O-N 3.15Å; Y11-F13 PolarHBondContact O-N 2.92Å
12	N	46.8	Very low	45.1	Very low	139 Å²	139	137 Å²	137	74%	0.743	77%	0.77	S	S	*	*			trans	-65	82.6	163	-72	-37.4	0	0	0	107.8	S10 S14	S10-N12 VanDerWaalsContact C-N 3.25Å; S10-N12 PolarHBondContact O-N 3.09Å; N12-S14 VanDerWaalsContact C-N 3.28Å; N12-S14 PolarHBondContact O-N 2.99Å
13	F	44.2	Very low	44.8	Very low	164 Å²	164	139.1 Å²	139.1	72%	0.719	77%	0.77	S	S	*	*			trans	-79.2	86.5	170.7	-169.9	-106.6	0	0	0	108.1	Y11 T15	Y11-F13 PolarHBondContact O-N 2.92Å; F13-T15 VanDerWaalsContact C-N 3.27Å; F13-T15 WeakPolarHBondContact CD1-OG1 3.04Å; F13-T15 HydrophobicContact CE1-CG2 4.18Å; F13-T15 VanDerWaalsContact CE1-OG1 3.31Å; F13-T15 WeakPolarHBondContact CE1-OG1 3.01Å; F13-T15 PolarHBondContact O-N 3.16Å; F13-T15 PolarHBondContact O-OG1 3.02Å
14	S	44.4	Very low	44.7	Very low	106 Å²	106	143.5 Å²	143.5	74%	0.741	78%	0.779	S	S	*	*			trans	-57.3	91.5	166	-64.4	0	0	0	0	108.8	N12 C16	N12-S14 VanDerWaalsContact C-N 3.28Å; N12-S14 PolarHBondContact O-N 2.99Å; S14-C16 PolarHBondContact O-N 3.48Å; S14-C16 VanDerWaalsContact O-N 3.11Å
15	T	42.7	Very low	44.4	Very low	103 Å²	103	140.9 Å²	140.9	63%	0.632	77%	0.774	S	S	*	*			trans	-80.3	95	173.8	-45.6	0	0	0	0	106.8	F13 T17	F13-T15 VanDerWaalsContact C-N 3.27Å; F13-T15 WeakPolarHBondContact CD1-OG1 3.04Å; F13-T15 HydrophobicContact CE1-CG2 4.18Å; F13-T15 VanDerWaalsContact CE1-OG1 3.31Å; F13-T15 WeakPolarHBondContact CE1-OG1 3.01Å; F13-T15 PolarHBondContact O-N 3.16Å; F13-T15 PolarHBondContact O-OG1 3.02Å; T15-T17 PolarHBondContact O-N 3.23Å
16	C	39.9	Very low	44	Very low	105 Å²	105	135.4 Å²	135.4	71%	0.709	77%	0.765	S	S	*	*			trans	-59.5	122.6	171.1	44.6	0	0	0	0	109.7	S14 N18	S14-C16 PolarHBondContact O-N 3.48Å; S14-C16 VanDerWaalsContact O-N 3.11Å; C16-N18 PolarHBondContact O-N 3.43Å; C16-N18 VanDerWaalsContact O-N 3.07Å
17	T	42.9	Very low	43.6	Very low	129 Å²	129	137 Å²	137	79%	0.791	77%	0.771	S	S	*	*			trans	-67.4	91.7	176.6	48	0	0	0	0	110.3	T15 A19	T15-T17 PolarHBondContact O-N 3.23Å; T17-A19 PolarHBondContact O-N 3.46Å; T17-A19 VanDerWaalsContact O-N 3.12Å
18	N	41.9	Very low	43.7	Very low	141 Å²	141	130.3 Å²	130.3	75%	0.754	76%	0.759	S	S	*	*			trans	-82.2	83.7	158.8	-76.2	-10.6	0	0	0	107.8	C16 T20	C16-N18 PolarHBondContact O-N 3.43Å; C16-N18 VanDerWaalsContact O-N 3.07Å; N18-T20 PolarHBondContact O-N 2.94Å
19	A	43.3	Very low	43.9	Very low	96 Å²	96	129 Å²	129	79%	0.793	76%	0.757	S	S	*	*			trans	-70.9	66.9	166.8	0	0	0	0	0	109.4	T17 G21	T17-A19 PolarHBondContact O-N 3.46Å; T17-A19 VanDerWaalsContact O-N 3.12Å; A19-G21 VanDerWaalsContact C-N 3.26Å; A19-G21 PolarHBondContact O-N 3.14Å
20	T	45.8	Very low	44.3	Very low	121 Å²	121	129.7 Å²	129.7	74%	0.742	76%	0.762	S	S	*	*			trans	-75.9	90.6	162.9	44.9	0	0	0	0	107.1	N18 H22	N18-T20 PolarHBondContact O-N 2.94Å; T20-H22 VanDerWaalsContact C-N 3.3Å; T20-H22 PolarHBondContact O-N 2.66Å
21	G	41.6	Very low	45	Very low	72 Å²	72	131.2 Å²	131.2	74%	0.742	77%	0.767	S	S	*	*			trans	-59.4	91.8	170.1	0	0	0	0	0	110	A19 R23	A19-G21 VanDerWaalsContact C-N 3.26Å; A19-G21 PolarHBondContact O-N 3.14Å; G21-R23 PolarHBondContact O-N 3.33Å
22	H	47	Very low	45.7	Very low	180 Å²	180	127.7 Å²	127.7	83%	0.833	76%	0.761	S	S	*	*			trans	-71.1	102.3	163	-118.7	-68.1	0	0	0	107	T20 Q24	T20-H22 VanDerWaalsContact C-N 3.3Å; T20-H22 PolarHBondContact O-N 2.66Å; H22-Q24 PolarHBondContact O-N 3.02Å; H22-Q24 VanDerWaalsContact O-N 3.13Å
23	R	39.8	Very low	47.3	Very low	229 Å²	229	124.1 Å²	124.1	86%	0.864	75%	0.747	S	S	*	*			trans	-44.8	117.6	169.4	-80	177.3	170.6	176.1	-3.3	109.2	G21 S25	G21-R23 PolarHBondContact O-N 3.33Å; R23-S25 PolarHBondContact O-N 2.84Å
24	Q	42.3	Very low	49.1	Very low	200 Å²	200	118.8 Å²	118.8	94%	0.935	74%	0.738	S	S	*	*			trans	-67.3	97.6	163.3	-66	177.6	0.8	0	0	106.9	H22	H22-Q24 PolarHBondContact O-N 3.02Å; H22-Q24 VanDerWaalsContact O-N 3.13Å
25	S	41.7	Very low	51.2	Low	114 Å²	114	118.9 Å²	118.9	80%	0.797	73%	0.729	S	S	*	*			trans	-138.4	125.1	171.9	-168.9	0	0	0	0	108.1	R23	R23-S25 PolarHBondContact O-N 2.84Å
26	G	41.3	Very low	53.4	Low	63 Å²	63	117.5 Å²	117.5	65%	0.649	72%	0.721	S	S	*	*			trans	98.7	97.3	164.3	0	0	0	0	0	114.3	S28	G26-S28 PolarHBondContact O-N 3.45Å
27	S	39.6	Very low	55.8	Low	124 Å²	124	114.3 Å²	114.3	87%	0.867	70%	0.702	S	S	*	*			trans	-38.7	106	151.1	178.1	0	0	0	0	110.8
28	S	44.9	Very low	58.2	Low	91 Å²	91	113.2 Å²	113.2	64%	0.636	69%	0.69	S	S	*	*			trans	-145	82.3	167.6	-72.9	0	0	0	0	107	G26 N30	G26-S28 PolarHBondContact O-N 3.45Å; S28-N30 PolarHBondContact O-N 3.14Å
29	A	48.8	Very low	60.7	Low	91 Å²	91	114.1 Å²	114.1	75%	0.752	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	10.8	-169.4	0	0	0	0	0	116.3
30	N	56.1	Low	63	Low	155 Å²	155	116.1 Å²	116.1	83%	0.829	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.8	8.4	-168.7	-72.3	-46.6	0	0	0	117.4	S28	S28-N30 PolarHBondContact O-N 3.14Å
31	V	61.1	Low	65.4	Low	123 Å²	123	115.6 Å²	115.6	75%	0.745	67%	0.672	S	S	*	*			trans	-114.9	86.9	174.1	-77.5	0	0	0	0	110.2	S33	V31-S33 PolarHBondContact O-N 2.63Å
32	I	64.2	Low	68	Low	136 Å²	136	115.7 Å²	115.7	70%	0.697	66%	0.66	S	S	*	*			trans	-55.9	111.3	162	-65.9	170.1	0	0	0	106	G34 T36 A37	I32-G34 PolarHBondContact O-N 3.39Å; I32-T36 WeakPolarHBondContact CG2-OG1 3.38Å; I32-A37 HydrophobicContact CG2-CB 4.16Å
33	S	80.1	Confident	70.4	Confident	64 Å²	64	111 Å²	111	45%	0.448	64%	0.644	S	S	.	*			trans	-52.3	134.9	175.1	175.8	0	0	0	0	109.1	V31 I35 T36 A37	V31-S33 PolarHBondContact O-N 2.63Å; S33-I35 PolarHBondContact O-N 3.31Å; S33-T36 PolarHBondContact N-OG1 3.5Å; S33-T36 PolarHBondContact O-N 2.89Å; S33-T36 PolarHBondContact O-OG1 2.87Å; S33-A37 PolarHBondContact O-N 3.44Å
34	G	82.7	Confident	73.1	Confident	52 Å²	52	101.6 Å²	101.6	54%	0.536	62%	0.618	S	S	.	*	H	α-helix	trans	-52.8	-28.6	-178.5	0	0	0	0	0	113	I32 A37 I38	I32-G34 PolarHBondContact O-N 3.39Å; G34-A37 PolarHBondContact O-N 3.07Å; G34-I38 VanDerWaalsContact O-CG1 3.31Å; G34-I38 WeakPolarHBondContact O-CG1 3.09Å; G34-I38 PolarHBondContact O-N 2.94Å; G34-I38 VanDerWaalsContact O-N 3.14Å
35	I	87.6	Confident	75.7	Confident	107 Å²	107	95.7 Å²	95.7	55%	0.549	60%	0.596	S	S	.	*	H	α-helix	trans	-64.4	-45.3	174.3	-63.3	169.5	0	0	0	111.8	S33 A37 I38 Y39	S33-I35 PolarHBondContact O-N 3.31Å; I35-A37 VanDerWaalsContact C-N 3.3Å; I35-A37 PolarHBondContact O-N 3.38Å; I35-I38 PolarHBondContact O-N 2.98Å; I35-Y39 HydrophobicContact CG2-CD2 3.67Å; I35-Y39 HydrophobicContact CG2-CE2 3.32Å; I35-Y39 WeakPolarHBondContact O-CD2 3.29Å; I35-Y39 PolarHBondContact O-N 2.92Å
36	T	89.8	Confident	78.3	Confident	75 Å²	75	95.6 Å²	95.6	46%	0.46	58%	0.583	S	S	.	*	H	α-helix	trans	-67.6	-32.7	179.6	55.1	0	0	0	0	111.6	I32 S33 Y39 L40	I32-T36 WeakPolarHBondContact CG2-OG1 3.38Å; S33-T36 PolarHBondContact N-OG1 3.5Å; S33-T36 PolarHBondContact O-N 2.89Å; S33-T36 PolarHBondContact O-OG1 2.87Å; T36-Y39 PolarHBondContact O-N 2.95Å; T36-L40 PolarHBondContact O-N 3.27Å
37	A	89.7	Confident	80.9	Confident	38 Å²	38	99.7 Å²	99.7	31%	0.314	58%	0.583	S	S	.	*	H	α-helix	trans	-63.2	-43.8	172	0	0	0	0	0	112.4	I32 S33 G34 I35 Y39 L40 I41	I32-A37 HydrophobicContact CG2-CB 4.16Å; S33-A37 PolarHBondContact O-N 3.44Å; G34-A37 PolarHBondContact O-N 3.07Å; I35-A37 VanDerWaalsContact C-N 3.3Å; I35-A37 PolarHBondContact O-N 3.38Å; A37-Y39 PolarHBondContact O-N 2.79Å; A37-L40 WeakPolarHBondContact O-CB 3.42Å; A37-L40 PolarHBondContact O-N 2.96Å; A37-I41 WeakPolarHBondContact O-CG1 3.36Å; A37-I41 PolarHBondContact O-N 3.33Å; A37-I41 VanDerWaalsContact O-N 3.11Å
38	I	92.7	Very high	83.6	Confident	106 Å²	106	101.6 Å²	101.6	54%	0.544	58%	0.576	S	S	.	*	H	α-helix	trans	-63.1	-43	177	-65.4	162	0	0	0	111	G34 I35 L40 I41 C42	G34-I38 VanDerWaalsContact O-CG1 3.31Å; G34-I38 WeakPolarHBondContact O-CG1 3.09Å; G34-I38 PolarHBondContact O-N 2.94Å; G34-I38 VanDerWaalsContact O-N 3.14Å; I35-I38 PolarHBondContact O-N 2.98Å; I38-L40 VanDerWaalsContact C-N 3.34Å; I38-L40 PolarHBondContact O-N 3.44Å; I38-I41 PolarHBondContact O-N 2.76Å; I38-C42 PolarHBondContact O-N 3.48Å; I38-C42 PolarHBondContact O-SG 3.12Å
39	Y	94.4	Very high	86	Confident	159 Å²	159	101.2 Å²	101.2	62%	0.624	57%	0.566	S	S	*	*	H	α-helix	trans	-61.7	-41.8	176.2	-78.5	-61	0	0	0	112.2	I35 T36 A37 I41 C42 V43	I35-Y39 HydrophobicContact CG2-CD2 3.67Å; I35-Y39 HydrophobicContact CG2-CE2 3.32Å; I35-Y39 WeakPolarHBondContact O-CD2 3.29Å; I35-Y39 PolarHBondContact O-N 2.92Å; T36-Y39 PolarHBondContact O-N 2.95Å; A37-Y39 PolarHBondContact O-N 2.79Å; Y39-I41 VanDerWaalsContact C-N 3.33Å; Y39-I41 PolarHBondContact O-N 3.05Å; Y39-C42 PolarHBondContact O-N 3.31Å; Y39-V43 VanDerWaalsContact O-CG2 3.31Å; Y39-V43 WeakPolarHBondContact O-CG2 3.19Å; Y39-V43 PolarHBondContact O-N 3.23Å
40	L	92	Very high	88.1	Confident	138 Å²	138	101 Å²	101	72%	0.723	55%	0.551	S	S	*	*	H	α-helix	trans	-59.7	-44	177	-164.6	90.7	0	0	0	111.6	T36 A37 I38 G44	T36-L40 PolarHBondContact O-N 3.27Å; A37-L40 WeakPolarHBondContact O-CB 3.42Å; A37-L40 PolarHBondContact O-N 2.96Å; I38-L40 VanDerWaalsContact C-N 3.34Å; I38-L40 PolarHBondContact O-N 3.44Å; L40-G44 PolarHBondContact O-N 3.15Å
41	I	95.1	Very high	89.8	Confident	111 Å²	111	96.4 Å²	96.4	57%	0.569	54%	0.536	S	S	*	.	H	α-helix	trans	-64.7	-46.2	177.9	-65.6	165.9	0	0	0	110.6	A37 I38 Y39 V43 G44 V45	A37-I41 WeakPolarHBondContact O-CG1 3.36Å; A37-I41 PolarHBondContact O-N 3.33Å; A37-I41 VanDerWaalsContact O-N 3.11Å; I38-I41 PolarHBondContact O-N 2.76Å; Y39-I41 VanDerWaalsContact C-N 3.33Å; Y39-I41 PolarHBondContact O-N 3.05Å; I41-V43 PolarHBondContact O-N 3.28Å; I41-G44 PolarHBondContact O-N 3.29Å; I41-V45 HydrophobicContact CG2-CG2 4.36Å; I41-V45 WeakPolarHBondContact O-CG2 3.34Å; I41-V45 PolarHBondContact O-N 3.31Å
42	C	96.8	Very high	91.3	Very high	73 Å²	73	97.4 Å²	97.4	49%	0.493	53%	0.53	S	S	.	.	H	α-helix	trans	-60.4	-44.6	179.2	-70.3	0	0	0	0	111.9	I38 Y39 V45 Q46	I38-C42 PolarHBondContact O-N 3.48Å; I38-C42 PolarHBondContact O-SG 3.12Å; Y39-C42 PolarHBondContact O-N 3.31Å; C42-V45 PolarHBondContact O-N 3.49Å; C42-Q46 WeakPolarHBondContact O-CB 3.25Å; C42-Q46 PolarHBondContact O-N 3.37Å
43	V	96.9	Very high	92.5	Very high	82 Å²	82	95 Å²	95	50%	0.497	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-43.1	176.6	173.1	0	0	0	0	110.5	Y39 I41 Q46 F47	Y39-V43 VanDerWaalsContact O-CG2 3.31Å; Y39-V43 WeakPolarHBondContact O-CG2 3.19Å; Y39-V43 PolarHBondContact O-N 3.23Å; I41-V43 PolarHBondContact O-N 3.28Å; V43-Q46 PolarHBondContact O-N 2.7Å; V43-F47 HydrophobicContact CG1-CD2 3.88Å; V43-F47 HydrophobicContact CG1-CE2 3.95Å; V43-F47 WeakPolarHBondContact O-CD2 2.91Å; V43-F47 PolarHBondContact O-N 3.04Å
44	G	96.7	Very high	92.9	Very high	31 Å²	31	97 Å²	97	32%	0.32	52%	0.523	S	S	.	.	H	α-helix	trans	-58.9	-49.1	176.2	0	0	0	0	0	112.8	L40 I41 Q46 F47 F48	L40-G44 PolarHBondContact O-N 3.15Å; I41-G44 PolarHBondContact O-N 3.29Å; G44-Q46 VanDerWaalsContact C-N 3.33Å; G44-Q46 PolarHBondContact O-N 3.23Å; G44-F47 PolarHBondContact O-N 3.47Å; G44-F48 WeakPolarHBondContact O-CD2 3.43Å; G44-F48 PolarHBondContact O-N 2.77Å
45	V	97.2	Very high	93	Very high	77 Å²	77	96.2 Å²	96.2	47%	0.467	52%	0.515	S	S	.	.	H	α-helix	trans	-62.4	-41.3	177.9	174	0	0	0	0	111.1	I41 C42 F47 F48 I49	I41-V45 HydrophobicContact CG2-CG2 4.36Å; I41-V45 WeakPolarHBondContact O-CG2 3.34Å; I41-V45 PolarHBondContact O-N 3.31Å; C42-V45 PolarHBondContact O-N 3.49Å; V45-F47 VanDerWaalsContact C-N 3.34Å; V45-F47 PolarHBondContact O-N 2.89Å; V45-F48 PolarHBondContact O-N 3.37Å; V45-I49 HydrophobicContact CG1-CD1 3.82Å; V45-I49 HydrophobicContact CG1-CG1 4.36Å; V45-I49 WeakPolarHBondContact O-CG1 3.29Å; V45-I49 PolarHBondContact O-N 3.33Å
46	Q	96.4	Very high	92.9	Very high	112 Å²	112	100 Å²	100	52%	0.523	52%	0.522	S	S	.	.	H	α-helix	trans	-59.5	-44.9	176.8	-171.8	69	-12.1	0	0	111.5	C42 V43 G44 F48 I49 L50	C42-Q46 WeakPolarHBondContact O-CB 3.25Å; C42-Q46 PolarHBondContact O-N 3.37Å; V43-Q46 PolarHBondContact O-N 2.7Å; G44-Q46 VanDerWaalsContact C-N 3.33Å; G44-Q46 PolarHBondContact O-N 3.23Å; Q46-F48 PolarHBondContact O-N 3.16Å; Q46-I49 PolarHBondContact O-N 3.26Å; Q46-L50 HydrophobicContact CG-CD1 4.07Å; Q46-L50 WeakPolarHBondContact O-CD1 3.38Å; Q46-L50 PolarHBondContact O-N 3.19Å
47	F	96	Very high	92.3	Very high	149 Å²	149	104.5 Å²	104.5	65%	0.654	53%	0.531	S	S	*	.	H	α-helix	trans	-61.5	-42.9	174.6	-94	-80.5	0	0	0	112.6	V43 G44 V45 I49 L50 A51	V43-F47 HydrophobicContact CG1-CD2 3.88Å; V43-F47 HydrophobicContact CG1-CE2 3.95Å; V43-F47 WeakPolarHBondContact O-CD2 2.91Å; V43-F47 PolarHBondContact O-N 3.04Å; G44-F47 PolarHBondContact O-N 3.47Å; V45-F47 VanDerWaalsContact C-N 3.34Å; V45-F47 PolarHBondContact O-N 2.89Å; F47-I49 PolarHBondContact O-N 3.28Å; F47-L50 PolarHBondContact O-N 3.48Å; F47-A51 WeakPolarHBondContact O-CB 3.28Å; F47-A51 PolarHBondContact O-N 2.95Å
48	F	95.7	Very high	91.7	Very high	164 Å²	164	108.8 Å²	108.8	72%	0.719	54%	0.544	S	S	*	.	H	α-helix	trans	-61.9	-41.8	176.9	-95.1	-78	0	0	0	112.5	G44 V45 Q46 A51 F52	G44-F48 WeakPolarHBondContact O-CD2 3.43Å; G44-F48 PolarHBondContact O-N 2.77Å; V45-F48 PolarHBondContact O-N 3.37Å; Q46-F48 PolarHBondContact O-N 3.16Å; F48-A51 PolarHBondContact O-N 2.91Å; F48-F52 WeakPolarHBondContact O-CB 3.22Å; F48-F52 PolarHBondContact O-N 3.45Å
49	I	95.7	Very high	90.8	Very high	83 Å²	83	108.9 Å²	108.9	43%	0.426	55%	0.549	S	S	.	.	H	α-helix	trans	-63.5	-45.8	176.2	-67.1	167.4	0	0	0	110.5	V45 Q46 F47 A51 F52 I53	V45-I49 HydrophobicContact CG1-CD1 3.82Å; V45-I49 HydrophobicContact CG1-CG1 4.36Å; V45-I49 WeakPolarHBondContact O-CG1 3.29Å; V45-I49 PolarHBondContact O-N 3.33Å; Q46-I49 PolarHBondContact O-N 3.26Å; F47-I49 PolarHBondContact O-N 3.28Å; I49-A51 PolarHBondContact O-N 3.35Å; I49-F52 PolarHBondContact O-N 3.12Å; I49-I53 HydrophobicContact CG2-CD1 3.8Å; I49-I53 WeakPolarHBondContact O-CG1 3.45Å; I49-I53 PolarHBondContact O-N 3.49Å
50	L	93.4	Very high	89.7	Confident	85 Å²	85	105.7 Å²	105.7	45%	0.445	54%	0.543	S	S	.	.	H	α-helix	trans	-60.9	-46	176.7	-93.3	78.9	0	0	0	111.5	Q46 F47 F52 I53 L54	Q46-L50 HydrophobicContact CG-CD1 4.07Å; Q46-L50 WeakPolarHBondContact O-CD1 3.38Å; Q46-L50 PolarHBondContact O-N 3.19Å; F47-L50 PolarHBondContact O-N 3.48Å; L50-F52 VanDerWaalsContact C-N 3.3Å; L50-F52 PolarHBondContact O-N 3.38Å; L50-I53 PolarHBondContact O-N 3.09Å; L50-L54 WeakPolarHBondContact O-CB 3.48Å; L50-L54 VanDerWaalsContact O-CG 3.28Å; L50-L54 WeakPolarHBondContact O-CG 3.48Å; L50-L54 PolarHBondContact O-N 3.38Å
51	A	92.2	Very high	88.7	Confident	60 Å²	60	107.7 Å²	107.7	50%	0.496	54%	0.54	S	S	.	.	H	α-helix	trans	-59.7	-41.3	177.1	0	0	0	0	0	111.5	F47 F48 I49 L54 G55	F47-A51 WeakPolarHBondContact O-CB 3.28Å; F47-A51 PolarHBondContact O-N 2.95Å; F48-A51 PolarHBondContact O-N 2.91Å; I49-A51 PolarHBondContact O-N 3.35Å; A51-L54 PolarHBondContact O-N 3.43Å; A51-G55 PolarHBondContact O-N 3.47Å
52	F	92.9	Very high	87	Confident	144 Å²	144	108.9 Å²	108.9	63%	0.632	55%	0.547	S	S	*	.	H	α-helix	trans	-65	-43.6	178	-168.4	-99.7	0	0	0	112.4	F48 I49 L50 G55 R56	F48-F52 WeakPolarHBondContact O-CB 3.22Å; F48-F52 PolarHBondContact O-N 3.45Å; I49-F52 PolarHBondContact O-N 3.12Å; L50-F52 VanDerWaalsContact C-N 3.3Å; L50-F52 PolarHBondContact O-N 3.38Å; F52-G55 PolarHBondContact O-N 3.11Å; F52-R56 WeakPolarHBondContact O-CB 3.39Å; F52-R56 PolarHBondContact O-N 2.97Å
53	I	89.1	Confident	85.1	Confident	86 Å²	86	107.8 Å²	107.8	44%	0.441	54%	0.541	S	S	.	.	H	α-helix	trans	-65.8	-43.2	177.8	-66.3	165.5	0	0	0	110.8	I49 L50 R56 R57	I49-I53 HydrophobicContact CG2-CD1 3.8Å; I49-I53 WeakPolarHBondContact O-CG1 3.45Å; I49-I53 PolarHBondContact O-N 3.49Å; L50-I53 PolarHBondContact O-N 3.09Å; I53-R56 PolarHBondContact O-N 3.06Å; I53-R57 WeakPolarHBondContact O-CB 3.47Å; I53-R57 WeakPolarHBondContact O-CG 3.38Å; I53-R57 PolarHBondContact O-N 3.34Å
54	L	87.5	Confident	83.3	Confident	106 Å²	106	111.2 Å²	111.2	56%	0.555	55%	0.545	S	S	*	.	H	α-helix	trans	-65.3	-44.2	177.3	-69.2	176	0	0	0	111.2	L50 A51 R57 Q58	L50-L54 WeakPolarHBondContact O-CB 3.48Å; L50-L54 VanDerWaalsContact O-CG 3.28Å; L50-L54 WeakPolarHBondContact O-CG 3.48Å; L50-L54 PolarHBondContact O-N 3.38Å; A51-L54 PolarHBondContact O-N 3.43Å; L54-R57 PolarHBondContact O-N 3.38Å; L54-Q58 VanDerWaalsContact O-CG 3.28Å; L54-Q58 WeakPolarHBondContact O-CG 3.36Å; L54-Q58 PolarHBondContact O-N 3.47Å
55	G	85.6	Confident	81.4	Confident	35 Å²	35	113 Å²	113	36%	0.361	56%	0.556	S	S	.	*	H	α-helix	trans	-59.7	-47	175.1	0	0	0	0	0	112.3	A51 F52 R57 Q58 V59	A51-G55 PolarHBondContact O-N 3.47Å; F52-G55 PolarHBondContact O-N 3.11Å; G55-R57 VanDerWaalsContact C-N 3.31Å; G55-R57 PolarHBondContact O-N 2.85Å; G55-Q58 WeakPolarHBondContact O-CB 3.24Å; G55-Q58 PolarHBondContact O-N 3.31Å; G55-Q58 VanDerWaalsContact O-N 3.13Å; G55-V59 WeakPolarHBondContact O-CG2 3.35Å; G55-V59 PolarHBondContact O-N 3.49Å
56	R	85.6	Confident	79.4	Confident	185 Å²	185	113.7 Å²	113.7	70%	0.698	57%	0.565	S	S	*	*	H	α-helix	trans	-61	-39.6	175.8	-171.5	169.6	-177.8	168.2	0.5	111.9	F52 I53 L60	F52-R56 WeakPolarHBondContact O-CB 3.39Å; F52-R56 PolarHBondContact O-N 2.97Å; I53-R56 PolarHBondContact O-N 3.06Å; R56-L60 VanDerWaalsContact O-CB 3.24Å; R56-L60 WeakPolarHBondContact O-CB 3.22Å; R56-L60 PolarHBondContact O-N 3.17Å
57	R	77.2	Confident	77.5	Confident	171 Å²	171	117 Å²	117	65%	0.645	57%	0.572	S	S	*	*	H	α-helix	trans	-65.9	-35.5	174.6	-82.6	-176.6	162.8	-178.7	-3.1	112.8	I53 L54 G55 R61	I53-R57 WeakPolarHBondContact O-CB 3.47Å; I53-R57 WeakPolarHBondContact O-CG 3.38Å; I53-R57 PolarHBondContact O-N 3.34Å; L54-R57 PolarHBondContact O-N 3.38Å; G55-R57 VanDerWaalsContact C-N 3.31Å; G55-R57 PolarHBondContact O-N 2.85Å; R57-R61 VanDerWaalsContact O-CB 3.32Å; R57-R61 WeakPolarHBondContact O-CB 3.11Å; R57-R61 PolarHBondContact O-N 3.26Å
58	Q	77.9	Confident	75.4	Confident	128 Å²	128	118.4 Å²	118.4	60%	0.598	58%	0.578	S	S	*	*	H	α-helix	trans	-67.1	-50.9	176.9	-71.2	-76.3	-1.4	0	0	111.6	L54 G55 L60 R61 L62	L54-Q58 VanDerWaalsContact O-CG 3.28Å; L54-Q58 WeakPolarHBondContact O-CG 3.36Å; L54-Q58 PolarHBondContact O-N 3.47Å; G55-Q58 WeakPolarHBondContact O-CB 3.24Å; G55-Q58 PolarHBondContact O-N 3.31Å; G55-Q58 VanDerWaalsContact O-N 3.13Å; Q58-L60 VanDerWaalsContact C-N 3.29Å; Q58-L60 PolarHBondContact O-N 3.34Å; Q58-R61 PolarHBondContact O-N 3.22Å; Q58-L62 WeakPolarHBondContact O-CB 3.43Å; Q58-L62 PolarHBondContact O-N 2.85Å
59	V	73.1	Confident	73.5	Confident	108 Å²	108	113.2 Å²	113.2	66%	0.655	57%	0.565	S	S	*	*	H	α-helix	trans	-60.2	-43	178.2	177.2	0	0	0	0	110.6	G55 L62 S63	G55-V59 WeakPolarHBondContact O-CG2 3.35Å; G55-V59 PolarHBondContact O-N 3.49Å; V59-L62 PolarHBondContact O-N 3.05Å; V59-S63 WeakPolarHBondContact O-CB 3.45Å; V59-S63 PolarHBondContact O-N 3.16Å
60	L	70.9	Confident	71.6	Confident	92 Å²	92	115.2 Å²	115.2	48%	0.482	58%	0.584	S	S	.	*	H	α-helix	trans	-60.1	-57.5	176.5	-165.7	65	0	0	0	109.6	R56 Q58 L62 S63 W64	R56-L60 VanDerWaalsContact O-CB 3.24Å; R56-L60 WeakPolarHBondContact O-CB 3.22Å; R56-L60 PolarHBondContact O-N 3.17Å; Q58-L60 VanDerWaalsContact C-N 3.29Å; Q58-L60 PolarHBondContact O-N 3.34Å; L60-L62 PolarHBondContact O-N 2.81Å; L60-L62 VanDerWaalsContact O-N 3.16Å; L60-S63 CarbonylContact O-C 3.6Å; L60-S63 WeakPolarHBondContact O-CA 3.41Å; L60-S63 WeakPolarHBondContact O-CB 3.29Å; L60-S63 PolarHBondContact O-N 2.77Å; L60-S63 PolarHBondContact O-OG 3.42Å; L60-W64 VanDerWaalsContact CG-CD1 3.49Å; L60-W64 PolarHBondContact O-N 3.26Å
61	R	70.8	Confident	69.9	Low	179 Å²	179	119.2 Å²	119.2	68%	0.675	60%	0.6	S	S	*	*	H	α-helix	trans	-53.7	-40.4	-179.7	-170.6	-177.8	-61.6	-169.8	0.1	112.7	R57 Q58 W64 A65	R57-R61 VanDerWaalsContact O-CB 3.32Å; R57-R61 WeakPolarHBondContact O-CB 3.11Å; R57-R61 PolarHBondContact O-N 3.26Å; Q58-R61 PolarHBondContact O-N 3.22Å; R61-W64 PolarHBondContact O-N 3.46Å; R61-A65 VanDerWaalsContact O-CB 3.26Å; R61-A65 WeakPolarHBondContact O-CB 3.35Å; R61-A65 PolarHBondContact O-N 3.4Å
62	L	59.9	Low	68	Low	136 Å²	136	119.3 Å²	119.3	71%	0.712	59%	0.591	S	S	*	*	H	α-helix	trans	-67.6	-37.9	177.4	-151.6	73.9	0	0	0	111.9	Q58 V59 L60 S66	Q58-L62 WeakPolarHBondContact O-CB 3.43Å; Q58-L62 PolarHBondContact O-N 2.85Å; V59-L62 PolarHBondContact O-N 3.05Å; L60-L62 PolarHBondContact O-N 2.81Å; L60-L62 VanDerWaalsContact O-N 3.16Å; L62-S66 WeakPolarHBondContact O-CB 3.41Å; L62-S66 PolarHBondContact O-N 3.11Å
63	S	57.6	Low	66.4	Low	51 Å²	51	118.1 Å²	118.1	36%	0.357	59%	0.591	S	S	.	*	H	α-helix	trans	-68.8	-39	174.8	77.2	0	0	0	0	113.2	V59 L60 S66 R67	V59-S63 WeakPolarHBondContact O-CB 3.45Å; V59-S63 PolarHBondContact O-N 3.16Å; L60-S63 CarbonylContact O-C 3.6Å; L60-S63 WeakPolarHBondContact O-CA 3.41Å; L60-S63 WeakPolarHBondContact O-CB 3.29Å; L60-S63 PolarHBondContact O-N 2.77Å; L60-S63 PolarHBondContact O-OG 3.42Å; S63-S66 WeakPolarHBondContact O-CB 3.47Å; S63-S66 PolarHBondContact O-N 3.11Å; S63-R67 PolarHBondContact O-N 3.47Å; S63-R67 VanDerWaalsContact O-N 3.14Å
64	W	58.2	Low	64.9	Low	154 Å²	154	121.2 Å²	121.2	58%	0.583	60%	0.602	S	S	*	*	H	α-helix	trans	-72	-39.5	176.1	-70.1	89.6	0	0	0	111.4	L60 R61 S66 R67	L60-W64 VanDerWaalsContact CG-CD1 3.49Å; L60-W64 PolarHBondContact O-N 3.26Å; R61-W64 PolarHBondContact O-N 3.46Å; W64-S66 PolarHBondContact O-N 3.27Å; W64-R67 WeakPolarHBondContact O-CB 3.44Å; W64-R67 PolarHBondContact O-N 2.89Å; W64-R67 VanDerWaalsContact O-N 3.09Å
65	A	57.7	Low	63.5	Low	68 Å²	68	117.6 Å²	117.6	56%	0.562	59%	0.587	S	S	*	*	H	α-helix	trans	-62.7	-28.8	172	0	0	0	0	0	112.1	R61	R61-A65 VanDerWaalsContact O-CB 3.26Å; R61-A65 WeakPolarHBondContact O-CB 3.35Å; R61-A65 PolarHBondContact O-N 3.4Å
66	S	53.9	Low	62.3	Low	92 Å²	92	121.5 Å²	121.5	64%	0.643	60%	0.596	S	S	*	*	H	α-helix	trans	-73.5	-27.6	173.5	-177.4	0	0	0	0	113.2	L62 S63 W64 K68	L62-S66 WeakPolarHBondContact O-CB 3.41Å; L62-S66 PolarHBondContact O-N 3.11Å; S63-S66 WeakPolarHBondContact O-CB 3.47Å; S63-S66 PolarHBondContact O-N 3.11Å; W64-S66 PolarHBondContact O-N 3.27Å; S66-K68 PolarHBondContact O-N 2.94Å
67	R	56.1	Low	61.4	Low	180 Å²	180	116.1 Å²	116.1	68%	0.679	60%	0.598	S	S	*	*	S	Bend	trans	-70.4	87	173.4	-71.4	-170.8	-172.3	-159.1	2.4	109.1	S63 W64 A69	S63-R67 PolarHBondContact O-N 3.47Å; S63-R67 VanDerWaalsContact O-N 3.14Å; W64-R67 WeakPolarHBondContact O-CB 3.44Å; W64-R67 PolarHBondContact O-N 2.89Å; W64-R67 VanDerWaalsContact O-N 3.09Å; R67-A69 PolarHBondContact O-N 3.17Å
68	K	53.6	Low	61.1	Low	180 Å²	180	109 Å²	109	78%	0.783	58%	0.576	S	S	*	*			trans	-11.2	87.4	161.2	-64.8	175.1	-179	177.9	0	112.6	S66 M72	S66-K68 PolarHBondContact O-N 2.94Å; K68-M72 WeakPolarHBondContact CA-SD 3.48Å; K68-M72 HydrophobicContact CB-SD 4.35Å; K68-M72 HydrophobicContact CG-SD 4.38Å
69	A	54.5	Low	61	Low	54 Å²	54	107.3 Å²	107.3	45%	0.446	58%	0.576	S	S	.	*			trans	-61.9	143.3	172.8	0	0	0	0	0	107.6	R67 H71 M72	R67-A69 PolarHBondContact O-N 3.17Å; A69-H71 PolarHBondContact O-N 3.29Å; A69-M72 HydrophobicContact CB-CG 4.32Å; A69-M72 WeakPolarHBondContact O-CB 3.31Å; A69-M72 PolarHBondContact O-N 3.05Å
70	P	56.4	Low	61.2	Low	126 Å²	126	105.7 Å²	105.7	82%	0.818	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-9.7	-178.6	22.8	-32.7	0	0	0	113.7
71	H	57.7	Low	61.4	Low	168 Å²	168	107.5 Å²	107.5	78%	0.778	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	16.5	175.5	-53.3	-62	0	0	0	113.7	A69 N73	A69-H71 PolarHBondContact O-N 3.29Å; H71-N73 PolarHBondContact O-N 2.85Å; H71-N73 VanDerWaalsContact O-N 3.13Å
72	M	52.1	Low	61.7	Low	63 Å²	63	103.1 Å²	103.1	31%	0.31	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-55.9	124.6	172.7	-96	-176.4	56.8	0	0	109	K68 A69 F74 Q76	K68-M72 WeakPolarHBondContact CA-SD 3.48Å; K68-M72 HydrophobicContact CB-SD 4.35Å; K68-M72 HydrophobicContact CG-SD 4.38Å; A69-M72 HydrophobicContact CB-CG 4.32Å; A69-M72 WeakPolarHBondContact O-CB 3.31Å; A69-M72 PolarHBondContact O-N 3.05Å; M72-F74 PolarHBondContact O-N 2.84Å; M72-Q76 HydrophobicContact CE-CB 3.44Å; M72-Q76 VanDerWaalsContact CE-CB 3.44Å; M72-Q76 HydrophobicContact CE-CG 3.96Å; M72-Q76 PolarHBondContact SD-OE1 2.82Å; M72-Q76 VanDerWaalsContact SD-OE1 3.39Å
73	N	58.8	Low	62.4	Low	119 Å²	119	100.8 Å²	100.8	64%	0.636	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-47.2	120.8	172.1	-69.8	-35.2	0	0	0	108	H71 A75 Q76	H71-N73 PolarHBondContact O-N 2.85Å; H71-N73 VanDerWaalsContact O-N 3.13Å; N73-A75 PolarHBondContact O-N 3.1Å; N73-A75 VanDerWaalsContact O-N 3.12Å; N73-Q76 PolarHBondContact O-N 2.76Å
74	F	57.8	Low	63.3	Low	151 Å²	151	101.3 Å²	101.3	66%	0.662	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.9	125.5	177	-82.4	-94.7	0	0	0	108.4	M72 I86	M72-F74 PolarHBondContact O-N 2.84Å; F74-I86 HydrophobicContact CB-CG2 4.32Å
75	A	58	Low	64.1	Low	29 Å²	29	96.9 Å²	96.9	24%	0.24	54%	0.544	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	32.2	-178.6	0	0	0	0	0	118.8	N73 G77 A78 F82 R83 I86	N73-A75 PolarHBondContact O-N 3.1Å; N73-A75 VanDerWaalsContact O-N 3.12Å; A75-G77 PolarHBondContact O-N 3.48Å; A75-A78 HydrophobicContact CB-CB 3.87Å; A75-A78 VanDerWaalsContact O-CB 3.32Å; A75-A78 WeakPolarHBondContact O-CB 3.41Å; A75-A78 PolarHBondContact O-N 2.96Å; A75-F82 HydrophobicContact CB-CD1 4.31Å; A75-F82 HydrophobicContact CB-CE1 4.44Å; A75-R83 HydrophobicContact CB-CG 4.04Å; A75-R83 PolarHBondContact O-NE 3.47Å; A75-I86 HydrophobicContact CB-CD1 3.62Å
76	Q	61.3	Low	65.1	Low	117 Å²	117	95.7 Å²	95.7	55%	0.547	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	127.7	163.2	-159.7	168.3	-10.5	0	0	110.9	M72 N73	M72-Q76 HydrophobicContact CE-CB 3.44Å; M72-Q76 VanDerWaalsContact CE-CB 3.44Å; M72-Q76 HydrophobicContact CE-CG 3.96Å; M72-Q76 PolarHBondContact SD-OE1 2.82Å; M72-Q76 VanDerWaalsContact SD-OE1 3.39Å; N73-Q76 PolarHBondContact O-N 2.76Å
77	G	66.1	Low	66.3	Low	72 Å²	72	95.5 Å²	95.5	74%	0.742	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.9	-21.2	-170.8	0	0	0	0	0	114.8	A75	A75-G77 PolarHBondContact O-N 3.48Å
78	A	71.6	Confident	67.3	Low	22 Å²	22	89.2 Å²	89.2	18%	0.182	50%	0.503	C	S	.	.	S	Bend	trans	-78.7	155.4	176.5	0	0	0	0	0	112.2	A75 F82 R83	A75-A78 HydrophobicContact CB-CB 3.87Å; A75-A78 VanDerWaalsContact O-CB 3.32Å; A75-A78 WeakPolarHBondContact O-CB 3.41Å; A75-A78 PolarHBondContact O-N 2.96Å; A78-F82 HydrophobicContact CB-CB 4.33Å; A78-F82 HydrophobicContact CB-CD1 3.54Å; A78-F82 HydrophobicContact CB-CE1 4.3Å; A78-F82 HydrophobicContact CB-CG 4.36Å; A78-R83 HydrophobicContact CB-CG 4.29Å; A78-R83 PolarHBondContact O-NE 2.87Å; A78-R83 VanDerWaalsContact O-NE 3.11Å; A78-R83 PolarHBondContact O-NH2 3.39Å
79	P	75.9	Confident	68.2	Low	92 Å²	92	81.3 Å²	81.3	60%	0.597	47%	0.472	S	S	*	.			trans	-58.9	146.3	173.5	21.9	-31.8	0	0	0	111.2	N81 F82 R83	P79-N81 PolarHBondContact O-N 3.12Å; P79-N81 VanDerWaalsContact O-N 3.13Å; P79-F82 HydrophobicContact CG-CB 3.95Å; P79-F82 WeakPolarHBondContact O-CB 3.22Å; P79-F82 PolarHBondContact O-N 3.44Å; P79-R83 PolarHBondContact O-N 3.36Å; P79-R83 VanDerWaalsContact O-N 3.13Å
80	A	75.9	Confident	69.2	Low	75 Å²	75	82.7 Å²	82.7	62%	0.62	47%	0.472	S	S	*	.	H	α-helix	trans	-52.6	-39.3	-176.6	0	0	0	0	0	112.6	F82 R83 A84	A80-F82 VanDerWaalsContact C-N 3.31Å; A80-F82 PolarHBondContact O-N 3.49Å; A80-R83 PolarHBondContact O-N 2.94Å; A80-A84 WeakPolarHBondContact O-CB 3.41Å; A80-A84 PolarHBondContact O-N 3.02Å
81	N	76.6	Confident	70	Confident	129 Å²	129	86.3 Å²	86.3	69%	0.69	47%	0.47	S	S	*	.	H	α-helix	trans	-59.9	-38	176.4	-66.2	-17.2	0	0	0	112.8	P79 K85	P79-N81 PolarHBondContact O-N 3.12Å; P79-N81 VanDerWaalsContact O-N 3.13Å; N81-K85 WeakPolarHBondContact O-CD 3.47Å; N81-K85 VanDerWaalsContact O-CG 3.25Å; N81-K85 WeakPolarHBondContact O-CG 3.3Å; N81-K85 PolarHBondContact O-N 3.06Å
82	F	75.9	Confident	70.5	Confident	87 Å²	87	79.6 Å²	79.6	38%	0.382	44%	0.441	S	S	.	.	H	α-helix	trans	-73.7	-39.4	177.6	-175.1	-105.6	0	0	0	111.5	A75 A78 P79 A80 K85 I86 F241	A75-F82 HydrophobicContact CB-CD1 4.31Å; A75-F82 HydrophobicContact CB-CE1 4.44Å; A78-F82 HydrophobicContact CB-CB 4.33Å; A78-F82 HydrophobicContact CB-CD1 3.54Å; A78-F82 HydrophobicContact CB-CE1 4.3Å; A78-F82 HydrophobicContact CB-CG 4.36Å; P79-F82 HydrophobicContact CG-CB 3.95Å; P79-F82 WeakPolarHBondContact O-CB 3.22Å; P79-F82 PolarHBondContact O-N 3.44Å; A80-F82 VanDerWaalsContact C-N 3.31Å; A80-F82 PolarHBondContact O-N 3.49Å; F82-K85 PolarHBondContact O-N 3.16Å; F82-I86 HydrophobicContact CD1-CD1 3.61Å; F82-I86 HydrophobicContact CD1-CG1 4.43Å; F82-I86 HydrophobicContact CE1-CD1 3.23Å; F82-I86 HydrophobicContact CE1-CG1 4.2Å; F82-I86 HydrophobicContact CG-CD1 4.47Å; F82-I86 HydrophobicContact CZ-CD1 3.75Å; F82-I86 HydrophobicContact CZ-CG1 4.37Å; F82-I86 PolarHBondContact O-N 3.09Å; F82-F241 HydrophobicContact CD2-CE1 4.18Å; F82-F241 HydrophobicContact CE2-CD1 4.19Å; F82-F241 AromaticContact CE2-CE1 3.7Å; F82-F241 HydrophobicContact CE2-CE1 3.7Å; F82-F241 HydrophobicContact CZ-CE1 4.49Å
83	R	74	Confident	71.3	Confident	88 Å²	88	79.9 Å²	79.9	33%	0.332	45%	0.447	S	S	.	.	H	α-helix	trans	-60.7	-47.2	174.1	-61.2	-169.9	-172.2	157.3	15.4	111.6	A75 A78 P79 A80 K85 I86 H87	A75-R83 HydrophobicContact CB-CG 4.04Å; A75-R83 PolarHBondContact O-NE 3.47Å; A78-R83 HydrophobicContact CB-CG 4.29Å; A78-R83 PolarHBondContact O-NE 2.87Å; A78-R83 VanDerWaalsContact O-NE 3.11Å; A78-R83 PolarHBondContact O-NH2 3.39Å; P79-R83 PolarHBondContact O-N 3.36Å; P79-R83 VanDerWaalsContact O-N 3.13Å; A80-R83 PolarHBondContact O-N 2.94Å; R83-K85 PolarHBondContact O-N 3.41Å; R83-I86 PolarHBondContact O-N 2.85Å; R83-I86 VanDerWaalsContact O-N 3.16Å; R83-H87 PolarHBondContact O-CD2 3.17Å; R83-H87 PolarHBondContact O-N 3.11Å
84	A	77.7	Confident	71.7	Confident	62 Å²	62	78.2 Å²	78.2	51%	0.512	44%	0.443	S	S	.	.	H	α-helix	trans	-57.2	-40.3	178.4	0	0	0	0	0	111.7	A80 H87 A88	A80-A84 WeakPolarHBondContact O-CB 3.41Å; A80-A84 PolarHBondContact O-N 3.02Å; A84-H87 PolarHBondContact O-N 2.92Å; A84-A88 WeakPolarHBondContact O-CB 3.44Å; A84-A88 PolarHBondContact O-N 3.42Å
85	K	73.9	Confident	71.8	Confident	61 Å²	61	76.9 Å²	76.9	27%	0.265	44%	0.443	S	S	.	.	H	α-helix	trans	-66.2	-43.5	176	-71.2	166.7	172.7	-129.1	0	112.7	N81 F82 R83 A88 G89 L240 F241	N81-K85 WeakPolarHBondContact O-CD 3.47Å; N81-K85 VanDerWaalsContact O-CG 3.25Å; N81-K85 WeakPolarHBondContact O-CG 3.3Å; N81-K85 PolarHBondContact O-N 3.06Å; F82-K85 PolarHBondContact O-N 3.16Å; R83-K85 PolarHBondContact O-N 3.41Å; K85-A88 PolarHBondContact O-N 2.96Å; K85-G89 PolarHBondContact O-N 3.1Å; K85-L240 WeakPolarHBondContact CD-O 3.48Å; K85-L240 WeakPolarHBondContact CE-O 3.39Å; K85-L240 VanDerWaalsContact CG-O 3.28Å; K85-L240 WeakPolarHBondContact CG-O 3.43Å; K85-L240 PolarHBondContact NZ-O 2.88Å; K85-F241 HydrophobicContact CB-CE1 4.34Å
86	I	79	Confident	71.9	Confident	43 Å²	43	78.8 Å²	78.8	22%	0.221	44%	0.444	C	S	.	.	H	α-helix	trans	-61.8	-47.1	174.6	-70.2	172.1	0	0	0	110.5	F74 A75 F82 R83 A88 G89 L90	F74-I86 HydrophobicContact CB-CG2 4.32Å; A75-I86 HydrophobicContact CB-CD1 3.62Å; F82-I86 HydrophobicContact CD1-CD1 3.61Å; F82-I86 HydrophobicContact CD1-CG1 4.43Å; F82-I86 HydrophobicContact CE1-CD1 3.23Å; F82-I86 HydrophobicContact CE1-CG1 4.2Å; F82-I86 HydrophobicContact CG-CD1 4.47Å; F82-I86 HydrophobicContact CZ-CD1 3.75Å; F82-I86 HydrophobicContact CZ-CG1 4.37Å; F82-I86 PolarHBondContact O-N 3.09Å; R83-I86 PolarHBondContact O-N 2.85Å; R83-I86 VanDerWaalsContact O-N 3.16Å; I86-A88 VanDerWaalsContact C-N 3.33Å; I86-A88 PolarHBondContact O-N 2.96Å; I86-G89 PolarHBondContact O-N 3.31Å; I86-L90 WeakPolarHBondContact O-CB 3.23Å; I86-L90 PolarHBondContact O-N 3.09Å
87	H	80.1	Confident	71.6	Confident	87 Å²	87	82.3 Å²	82.3	40%	0.403	46%	0.457	S	S	.	.	H	α-helix	trans	-62.6	-39.1	177.9	-79.2	-69.9	0	0	0	112.2	R83 A84 L90 R91	R83-H87 PolarHBondContact O-CD2 3.17Å; R83-H87 PolarHBondContact O-N 3.11Å; A84-H87 PolarHBondContact O-N 2.92Å; H87-L90 PolarHBondContact O-N 2.94Å; H87-R91 WeakPolarHBondContact O-CB 3.5Å; H87-R91 PolarHBondContact O-N 2.86Å
88	A	76.1	Confident	71	Confident	49 Å²	49	87 Å²	87	41%	0.405	46%	0.46	S	S	.	.	H	α-helix	trans	-62.5	-43.2	173.6	0	0	0	0	0	111.6	A84 K85 I86 R91 S92 L240	A84-A88 WeakPolarHBondContact O-CB 3.44Å; A84-A88 PolarHBondContact O-N 3.42Å; K85-A88 PolarHBondContact O-N 2.96Å; I86-A88 VanDerWaalsContact C-N 3.33Å; I86-A88 PolarHBondContact O-N 2.96Å; A88-R91 PolarHBondContact O-N 3.09Å; A88-S92 PolarHBondContact O-N 3.44Å; A88-L240 HydrophobicContact CB-CD2 3.85Å
89	G	73.5	Confident	70.1	Confident	13 Å²	13	88.6 Å²	88.6	13%	0.134	47%	0.465	C	S	.	.	H	α-helix	trans	-62	-47.1	173.9	0	0	0	0	0	112.4	K85 I86 R91 S92 T93	K85-G89 PolarHBondContact O-N 3.1Å; I86-G89 PolarHBondContact O-N 3.31Å; G89-R91 VanDerWaalsContact C-N 3.3Å; G89-R91 PolarHBondContact O-N 3.16Å; G89-S92 PolarHBondContact O-N 2.89Å; G89-S92 VanDerWaalsContact O-N 3.1Å; G89-S92 PolarHBondContact O-OG 2.88Å; G89-T93 PolarHBondContact O-N 3.49Å
90	L	75.5	Confident	69	Low	84 Å²	84	87 Å²	87	44%	0.44	46%	0.455	S	S	.	.	H	α-helix	trans	-61.5	-40.2	177.2	-170.4	68	0	0	0	111.4	I86 H87 S92 T93 C94	I86-L90 WeakPolarHBondContact O-CB 3.23Å; I86-L90 PolarHBondContact O-N 3.09Å; H87-L90 PolarHBondContact O-N 2.94Å; L90-S92 VanDerWaalsContact C-N 3.32Å; L90-S92 PolarHBondContact O-N 3.08Å; L90-T93 WeakPolarHBondContact O-CA 3.41Å; L90-T93 PolarHBondContact O-N 3.14Å; L90-T93 PolarHBondContact O-OG1 3.22Å; L90-C94 PolarHBondContact O-N 3.45Å; L90-C94 VanDerWaalsContact O-N 3.12Å; L90-C94 PolarHBondContact O-SG 2.94Å
91	R	73.3	Confident	67.9	Low	202 Å²	202	90.8 Å²	90.8	76%	0.762	46%	0.461	S	S	*	.	H	α-helix	trans	-63	-37.8	175	-165.4	173.7	-171.9	143.4	1.1	112.1	H87 A88 G89 T93 C94	H87-R91 WeakPolarHBondContact O-CB 3.5Å; H87-R91 PolarHBondContact O-N 2.86Å; A88-R91 PolarHBondContact O-N 3.09Å; G89-R91 VanDerWaalsContact C-N 3.3Å; G89-R91 PolarHBondContact O-N 3.16Å; R91-T93 VanDerWaalsContact C-N 3.28Å; R91-T93 PolarHBondContact O-N 3.2Å; R91-C94 PolarHBondContact O-N 2.85Å
92	S	68.4	Low	66.8	Low	26 Å²	26	89.6 Å²	89.6	18%	0.182	45%	0.451	C	S	.	.	H	α-helix	trans	-65.7	-31.2	171.2	64.1	0	0	0	0	112.7	A88 G89 L90 C94 L95 Y96	A88-S92 PolarHBondContact O-N 3.44Å; G89-S92 PolarHBondContact O-N 2.89Å; G89-S92 VanDerWaalsContact O-N 3.1Å; G89-S92 PolarHBondContact O-OG 2.88Å; L90-S92 VanDerWaalsContact C-N 3.32Å; L90-S92 PolarHBondContact O-N 3.08Å; S92-C94 VanDerWaalsContact C-N 3.33Å; S92-C94 PolarHBondContact O-N 3.36Å; S92-L95 WeakPolarHBondContact O-CB 3.26Å; S92-L95 PolarHBondContact O-N 3.42Å; S92-Y96 WeakPolarHBondContact O-CD2 3.43Å; S92-Y96 VanDerWaalsContact O-CE2 3.3Å; S92-Y96 WeakPolarHBondContact O-CE2 3.38Å
93	T	67.9	Low	65.7	Low	70 Å²	70	88.8 Å²	88.8	43%	0.429	45%	0.453	S	S	.	.	H	α-helix	trans	-68.4	-32.5	175.3	65.5	0	0	0	0	113.5	G89 L90 R91 L95 Y96	G89-T93 PolarHBondContact O-N 3.49Å; L90-T93 WeakPolarHBondContact O-CA 3.41Å; L90-T93 PolarHBondContact O-N 3.14Å; L90-T93 PolarHBondContact O-OG1 3.22Å; R91-T93 VanDerWaalsContact C-N 3.28Å; R91-T93 PolarHBondContact O-N 3.2Å; T93-L95 PolarHBondContact O-N 3.47Å; T93-Y96 VanDerWaalsContact CA-CD2 3.47Å; T93-Y96 HydrophobicContact CG2-CD2 4.44Å; T93-Y96 HydrophobicContact CG2-CE2 4.44Å; T93-Y96 WeakPolarHBondContact O-CB 3.34Å; T93-Y96 PolarHBondContact O-N 2.99Å
94	C	66.5	Low	64.8	Low	83 Å²	83	90.7 Å²	90.7	56%	0.561	48%	0.476	S	S	*	.	H	α-helix	trans	-63.3	-31.6	175.3	-63.3	0	0	0	0	112.3	L90 R91 S92 Y96 K97	L90-C94 PolarHBondContact O-N 3.45Å; L90-C94 VanDerWaalsContact O-N 3.12Å; L90-C94 PolarHBondContact O-SG 2.94Å; R91-C94 PolarHBondContact O-N 2.85Å; S92-C94 VanDerWaalsContact C-N 3.33Å; S92-C94 PolarHBondContact O-N 3.36Å; C94-Y96 PolarHBondContact O-N 3.15Å; C94-K97 VanDerWaalsContact O-CB 3.29Å; C94-K97 WeakPolarHBondContact O-CB 3.44Å; C94-K97 PolarHBondContact O-N 2.77Å; C94-K97 VanDerWaalsContact O-N 3.11Å
95	L	61.5	Low	63.7	Low	124 Å²	124	96.3 Å²	96.3	65%	0.649	49%	0.485	S	S	*	.	H	α-helix	trans	-63.9	-23.6	174.1	-62.8	172.1	0	0	0	112	S92 T93 K97	S92-L95 WeakPolarHBondContact O-CB 3.26Å; S92-L95 PolarHBondContact O-N 3.42Å; T93-L95 PolarHBondContact O-N 3.47Å; L95-K97 VanDerWaalsContact C-N 3.32Å
96	Y	59.8	Low	63	Low	69 Å²	69	97.3 Å²	97.3	27%	0.271	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-80.1	-12.3	176.7	-52.9	-52.5	0	0	0	113.6	S92 T93 C94 E98 L99 Y178 L236	S92-Y96 WeakPolarHBondContact O-CD2 3.43Å; S92-Y96 VanDerWaalsContact O-CE2 3.3Å; S92-Y96 WeakPolarHBondContact O-CE2 3.38Å; T93-Y96 VanDerWaalsContact CA-CD2 3.47Å; T93-Y96 HydrophobicContact CG2-CD2 4.44Å; T93-Y96 HydrophobicContact CG2-CE2 4.44Å; T93-Y96 WeakPolarHBondContact O-CB 3.34Å; T93-Y96 PolarHBondContact O-N 2.99Å; C94-Y96 PolarHBondContact O-N 3.15Å; Y96-E98 PolarHBondContact O-N 3.23Å; Y96-L99 HydrophobicContact CD1-CD1 4.4Å; Y96-L99 WeakPolarHBondContact O-CB 3.43Å; Y96-L99 WeakPolarHBondContact O-CD1 3.15Å; Y96-L99 PolarHBondContact O-N 3.29Å; Y96-L99 VanDerWaalsContact O-N 3.15Å; Y96-Y178 WeakPolarHBondContact CE1-O 3.43Å; Y96-L236 WeakPolarHBondContact OH-CD1 3.3Å
97	K	55	Low	62.1	Low	190 Å²	190	99.5 Å²	99.5	83%	0.826	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-64.1	-26.3	178.4	-169.6	178.2	177.9	-174.9	0	112	C94 L95 L99	C94-K97 VanDerWaalsContact O-CB 3.29Å; C94-K97 WeakPolarHBondContact O-CB 3.44Å; C94-K97 PolarHBondContact O-N 2.77Å; C94-K97 VanDerWaalsContact O-N 3.11Å; L95-K97 VanDerWaalsContact C-N 3.32Å; K97-L99 PolarHBondContact O-N 3.1Å
98	E	52.1	Low	61.2	Low	171 Å²	171	102.3 Å²	102.3	80%	0.799	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-78.4	-0.4	178.2	-63.6	-171.9	175.3	0	0	113.7	Y96 P100	Y96-E98 PolarHBondContact O-N 3.23Å; E98-P100 WeakPolarHBondContact O-CD 3.43Å
99	L	54.6	Low	60.6	Low	55 Å²	55	104.2 Å²	104.2	29%	0.288	54%	0.542	S	S	.	.	S	Bend	trans	-69.5	122.6	172.1	-87	68.7	0	0	0	108.6	Y96 K97 M101 R177	Y96-L99 HydrophobicContact CD1-CD1 4.4Å; Y96-L99 WeakPolarHBondContact O-CB 3.43Å; Y96-L99 WeakPolarHBondContact O-CD1 3.15Å; Y96-L99 PolarHBondContact O-N 3.29Å; Y96-L99 VanDerWaalsContact O-N 3.15Å; K97-L99 PolarHBondContact O-N 3.1Å; L99-M101 PolarHBondContact O-N 3.5Å; L99-R177 WeakPolarHBondContact CD2-O 3.34Å
100	P	51	Low	60.4	Low	58 Å²	58	107.8 Å²	107.8	38%	0.377	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-55.4	116.2	178.7	19.8	-30.7	0	0	0	109.7	E98 F102 Q112 Y116	E98-P100 WeakPolarHBondContact O-CD 3.43Å; P100-F102 PolarHBondContact O-N 2.81Å; P100-Q112 VanDerWaalsContact CG-OE1 3.28Å; P100-Y116 WeakPolarHBondContact CB-OH 3.36Å; P100-Y116 HydrophobicContact CG-CE1 4.23Å; P100-Y116 WeakPolarHBondContact CG-OH 3.33Å
101	M	52.6	Low	60.1	Low	155 Å²	155	107.6 Å²	107.6	76%	0.764	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-57	129.3	167.6	170.6	160.7	-91.1	0	0	108.2	L99 T103	L99-M101 PolarHBondContact O-N 3.5Å; M101-T103 VanDerWaalsContact C-N 3.33Å; M101-T103 VanDerWaalsContact O-CG2 3.32Å; M101-T103 WeakPolarHBondContact O-CG2 3.48Å; M101-T103 PolarHBondContact O-N 3.5Å
102	F	54.3	Low	60.1	Low	105 Å²	105	100.3 Å²	100.3	46%	0.461	53%	0.533	S	S	.	.			trans	-7.6	80.3	171.3	-57.4	-81.3	0	0	0	113.6	P100 P104 L119 N123	P100-F102 PolarHBondContact O-N 2.81Å; F102-P104 WeakPolarHBondContact O-CD 3.26Å; F102-L119 HydrophobicContact CE1-CB 3.78Å; F102-L119 HydrophobicContact CZ-CB 4.28Å; F102-N123 VanDerWaalsContact CE1-ND2 3.29Å; F102-N123 WeakPolarHBondContact CE1-ND2 3.48Å; F102-N123 WeakPolarHBondContact CZ-ND2 3.35Å
103	T	53.6	Low	60.6	Low	70 Å²	70	101.9 Å²	101.9	43%	0.429	54%	0.535	S	S	.	.			trans	-85.2	124.7	177.2	47.9	0	0	0	0	107.2	M101 Y105	M101-T103 VanDerWaalsContact C-N 3.33Å; M101-T103 VanDerWaalsContact O-CG2 3.32Å; M101-T103 WeakPolarHBondContact O-CG2 3.48Å; M101-T103 PolarHBondContact O-N 3.5Å; T103-Y105 PolarHBondContact O-N 2.82Å; T103-Y105 VanDerWaalsContact O-N 3.11Å
104	P	53.9	Low	61.3	Low	127 Å²	127	101.2 Å²	101.2	83%	0.825	53%	0.525	S	S	*	.			trans	-77.1	13.5	179	31.6	-34.9	0	0	0	112.8	F102 S106	F102-P104 WeakPolarHBondContact O-CD 3.26Å; P104-S106 PolarHBondContact O-N 2.94Å
105	Y	55.6	Low	62.1	Low	180 Å²	180	97.7 Å²	97.7	71%	0.706	50%	0.5	S	S	*	.			trans	-79.1	95	-178.5	-151	-95.3	0	0	0	109.5	T103 D107	T103-Y105 PolarHBondContact O-N 2.82Å; T103-Y105 VanDerWaalsContact O-N 3.11Å; Y105-D107 WeakPolarHBondContact CE1-OD2 3.07Å; Y105-D107 PolarHBondContact O-N 3.41Å
106	S	58.5	Low	62.9	Low	82 Å²	82	93 Å²	93	57%	0.573	47%	0.474	S	S	*	.			trans	-74.9	53.7	-170	-171.1	0	0	0	0	113	P104	P104-S106 PolarHBondContact O-N 2.94Å
107	D	59.6	Low	64.1	Low	89 Å²	89	93.8 Å²	93.8	48%	0.476	48%	0.479	S	S	.	.			trans	-93.4	109	163.6	-86.2	-27.4	0	0	0	108.3	Y105 A109 H110	Y105-D107 WeakPolarHBondContact CE1-OD2 3.07Å; Y105-D107 PolarHBondContact O-N 3.41Å; D107-A109 HydrophobicContact CB-CB 4.42Å; D107-A109 PolarHBondContact O-N 3.24Å; D107-H110 PolarHBondContact O-N 2.89Å
108	E	61.4	Low	65.6	Low	146 Å²	146	84.7 Å²	84.7	68%	0.682	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-17.9	170.5	-63.7	-151.7	148.1	0	0	112.1	H110	E108-H110 VanDerWaalsContact C-N 3.27Å; E108-H110 PolarHBondContact O-N 3.31Å
109	A	64.5	Low	67.1	Low	90 Å²	90	77.7 Å²	77.7	74%	0.744	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.7	175	0	0	0	0	0	114.1	D107	D107-A109 HydrophobicContact CB-CB 4.42Å; D107-A109 PolarHBondContact O-N 3.24Å
110	H	68.9	Low	68.6	Low	87 Å²	87	79.5 Å²	79.5	40%	0.403	42%	0.417	S	S	.	.	S	Bend	trans	-71.3	126.6	179.7	-163.1	-86.7	0	0	0	109.7	D107 E108 Q112 W113	D107-H110 PolarHBondContact O-N 2.89Å; E108-H110 VanDerWaalsContact C-N 3.27Å; E108-H110 PolarHBondContact O-N 3.31Å; H110-Q112 WeakPolarHBondContact ND1-CB 3.41Å; H110-Q112 PolarHBondContact ND1-N 3.28Å; H110-Q112 PolarHBondContact O-N 3.44Å; H110-W113 VanDerWaalsContact O-CB 3.25Å; H110-W113 WeakPolarHBondContact O-CB 3.25Å; H110-W113 PolarHBondContact O-N 3.26Å
111	P	68.6	Low	70.2	Confident	80 Å²	80	78 Å²	78	52%	0.519	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.4	-175.7	22.8	-33.8	0	0	0	113.7
112	Q	75	Confident	71.7	Confident	50 Å²	50	70.8 Å²	70.8	23%	0.234	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	7.9	177.9	-53.4	178.8	-6	0	0	113.5	P100 H110 Y114 R115 Y116	P100-Q112 VanDerWaalsContact CG-OE1 3.28Å; H110-Q112 WeakPolarHBondContact ND1-CB 3.41Å; H110-Q112 PolarHBondContact ND1-N 3.28Å; H110-Q112 PolarHBondContact O-N 3.44Å; Q112-Y114 PolarHBondContact O-N 3.18Å; Q112-R115 HydrophobicContact CB-CB 4.4Å; Q112-R115 VanDerWaalsContact O-CB 3.28Å; Q112-R115 WeakPolarHBondContact O-CB 3.45Å; Q112-R115 PolarHBondContact O-N 3.32Å; Q112-R115 VanDerWaalsContact O-N 3.16Å; Q112-Y116 HydrophobicContact CB-CD2 4.44Å; Q112-Y116 HydrophobicContact CB-CE2 3.8Å; Q112-Y116 WeakPolarHBondContact O-CD2 3.01Å; Q112-Y116 WeakPolarHBondContact O-CE2 3.01Å; Q112-Y116 PolarHBondContact O-N 3.11Å; Q112-Y116 VanDerWaalsContact O-N 3.09Å; Q112-Y116 PolarHBondContact OE1-OH 3.01Å
113	W	78.5	Confident	73	Confident	58 Å²	58	67.6 Å²	67.6	22%	0.22	36%	0.357	C	S	.	.	H	α-helix	trans	-54.2	-53.3	-179.5	177.3	-114.9	0	0	0	112.7	H110 R115 Y116 K117	H110-W113 VanDerWaalsContact O-CB 3.25Å; H110-W113 WeakPolarHBondContact O-CB 3.25Å; H110-W113 PolarHBondContact O-N 3.26Å; W113-R115 VanDerWaalsContact C-N 3.27Å; W113-R115 PolarHBondContact O-N 3.29Å; W113-Y116 PolarHBondContact O-N 2.87Å; W113-Y116 VanDerWaalsContact O-N 3.1Å; W113-K117 PolarHBondContact O-N 3.1Å; W113-K117 VanDerWaalsContact O-N 3.09Å
114	Y	82.3	Confident	74.4	Confident	56 Å²	56	67 Å²	67	22%	0.22	35%	0.353	C	S	.	.	H	α-helix	trans	-60.8	-36.7	178.2	-65.5	-70.1	0	0	0	112.6	Q112 Y116 K117 V118 K185 Y188	Q112-Y114 PolarHBondContact O-N 3.18Å; Y114-Y116 VanDerWaalsContact C-N 3.34Å; Y114-Y116 PolarHBondContact O-N 3.41Å; Y114-K117 PolarHBondContact O-N 3.19Å; Y114-V118 WeakPolarHBondContact O-CG2 3.44Å; Y114-V118 PolarHBondContact O-N 2.87Å; Y114-K185 HydrophobicContact CD2-CB 4.4Å; Y114-K185 HydrophobicContact CE1-CB 4.16Å; Y114-K185 HydrophobicContact CE1-CD 4.47Å; Y114-K185 HydrophobicContact CE1-CG 3.79Å; Y114-K185 HydrophobicContact CE2-CB 3.84Å; Y114-K185 HydrophobicContact CE2-CG 4.25Å; Y114-K185 VanDerWaalsContact OH-CD 3.31Å; Y114-K185 WeakPolarHBondContact OH-CD 3.28Å; Y114-K185 WeakPolarHBondContact OH-CG 3.32Å; Y114-Y188 AromaticContact CD1-CD1 3.73Å; Y114-Y188 HydrophobicContact CD1-CD1 3.73Å; Y114-Y188 HydrophobicContact CD1-CD2 4.45Å; Y114-Y188 AromaticContact CD1-CG 3.69Å; Y114-Y188 HydrophobicContact CD1-CG 3.69Å; Y114-Y188 HydrophobicContact CE1-CD1 4.14Å; Y114-Y188 HydrophobicContact CG-CG 4.45Å
115	R	83	Confident	75.5	Confident	9 Å²	9	61 Å²	61	3%	0.034	32%	0.315	C	S	.	.	H	α-helix	trans	-59.2	-44.8	175	176.9	-169	-176.3	121.3	13.9	111	Q112 W113 K117 L119 A176 K179 V183	Q112-R115 HydrophobicContact CB-CB 4.4Å; Q112-R115 VanDerWaalsContact O-CB 3.28Å; Q112-R115 WeakPolarHBondContact O-CB 3.45Å; Q112-R115 PolarHBondContact O-N 3.32Å; Q112-R115 VanDerWaalsContact O-N 3.16Å; W113-R115 VanDerWaalsContact C-N 3.27Å; W113-R115 PolarHBondContact O-N 3.29Å; R115-K117 VanDerWaalsContact C-N 3.35Å; R115-L119 HydrophobicContact CG-CD1 4.44Å; R115-L119 WeakPolarHBondContact O-CG 3.4Å; R115-L119 PolarHBondContact O-N 2.81Å; R115-A176 HydrophobicContact CG-CB 4.08Å; R115-A176 WeakPolarHBondContact CG-O 3.29Å; R115-A176 PolarHBondContact NE-O 2.85Å; R115-A176 PolarHBondContact NH2-O 3.37Å; R115-K179 VanDerWaalsContact CZ-O 3.31Å; R115-K179 PolarHBondContact NH1-O 3.17Å; R115-K179 PolarHBondContact NH2-O 2.92Å; R115-V183 HydrophobicContact CB-CB 4.45Å; R115-V183 HydrophobicContact CB-CG2 4.15Å
116	Y	78.6	Confident	76.6	Confident	25 Å²	25	53.9 Å²	53.9	10%	0.098	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-40.7	176.9	-58.8	-56.3	0	0	0	111.9	P100 Q112 W113 Y114 V118 L119 D120	P100-Y116 WeakPolarHBondContact CB-OH 3.36Å; P100-Y116 HydrophobicContact CG-CE1 4.23Å; P100-Y116 WeakPolarHBondContact CG-OH 3.33Å; Q112-Y116 HydrophobicContact CB-CD2 4.44Å; Q112-Y116 HydrophobicContact CB-CE2 3.8Å; Q112-Y116 WeakPolarHBondContact O-CD2 3.01Å; Q112-Y116 WeakPolarHBondContact O-CE2 3.01Å; Q112-Y116 PolarHBondContact O-N 3.11Å; Q112-Y116 VanDerWaalsContact O-N 3.09Å; Q112-Y116 PolarHBondContact OE1-OH 3.01Å; W113-Y116 PolarHBondContact O-N 2.87Å; W113-Y116 VanDerWaalsContact O-N 3.1Å; Y114-Y116 VanDerWaalsContact C-N 3.34Å; Y114-Y116 PolarHBondContact O-N 3.41Å; Y116-V118 PolarHBondContact O-N 2.95Å; Y116-L119 PolarHBondContact O-N 3.05Å; Y116-L119 VanDerWaalsContact O-N 3.14Å; Y116-D120 PolarHBondContact O-N 2.98Å
117	K	85.1	Confident	77.4	Confident	86 Å²	86	58.1 Å²	58.1	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-61.6	-43.2	179.2	-158.2	170.3	-178.1	-151	0	112.4	W113 Y114 R115 L119 D120 E121 Y188	W113-K117 PolarHBondContact O-N 3.1Å; W113-K117 VanDerWaalsContact O-N 3.09Å; Y114-K117 PolarHBondContact O-N 3.19Å; R115-K117 VanDerWaalsContact C-N 3.35Å; K117-L119 PolarHBondContact O-N 3.27Å; K117-D120 PolarHBondContact O-N 3.46Å; K117-E121 WeakPolarHBondContact O-CG 3.34Å; K117-E121 PolarHBondContact O-N 3.3Å; K117-E121 VanDerWaalsContact O-N 3.09Å; K117-Y188 HydrophobicContact CB-CD2 4.39Å; K117-Y188 HydrophobicContact CB-CE2 3.83Å; K117-Y188 HydrophobicContact CD-CE1 3.97Å; K117-Y188 HydrophobicContact CD-CE2 3.77Å; K117-Y188 WeakPolarHBondContact CD-OH 3.28Å; K117-Y188 WeakPolarHBondContact CE-OH 3.41Å; K117-Y188 HydrophobicContact CG-CE2 3.66Å; K117-Y188 PolarHBondContact NZ-OH 3.3Å
118	V	86.1	Confident	78.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.3	-49.5	171.5	172	0	0	0	0	110.9	Y114 Y116 D120 V122 Y173 A176 Y188 F191	Y114-V118 WeakPolarHBondContact O-CG2 3.44Å; Y114-V118 PolarHBondContact O-N 2.87Å; Y116-V118 PolarHBondContact O-N 2.95Å; V118-D120 PolarHBondContact O-N 3.15Å; V118-V122 WeakPolarHBondContact O-CG2 3.46Å; V118-V122 PolarHBondContact O-N 3.29Å; V118-V122 VanDerWaalsContact O-N 3.16Å; V118-Y173 HydrophobicContact CG1-CD2 4.36Å; V118-A176 HydrophobicContact CB-CB 4.27Å; V118-A176 HydrophobicContact CG1-CB 3.94Å; V118-Y188 HydrophobicContact CG2-CD2 3.7Å; V118-Y188 HydrophobicContact CG2-CE2 4.35Å; V118-F191 HydrophobicContact CB-CD1 4.48Å; V118-F191 HydrophobicContact CB-CE1 4.28Å; V118-F191 HydrophobicContact CB-CZ 4.48Å; V118-F191 HydrophobicContact CG1-CD1 4.33Å; V118-F191 HydrophobicContact CG1-CD2 4.18Å; V118-F191 HydrophobicContact CG1-CE1 3.98Å; V118-F191 HydrophobicContact CG1-CE2 3.78Å; V118-F191 HydrophobicContact CG1-CG 4.45Å; V118-F191 HydrophobicContact CG1-CZ 3.71Å; V118-F191 HydrophobicContact CG2-CD1 3.91Å; V118-F191 HydrophobicContact CG2-CE1 4.2Å; V118-F191 HydrophobicContact CG2-CG 4.19Å
119	L	83.8	Confident	78.5	Confident	23 Å²	23	51.5 Å²	51.5	12%	0.12	26%	0.257	C	S	.	.	H	α-helix	trans	-66.7	-38.2	-176.2	-66.6	174.3	0	0	0	112.4	F102 R115 Y116 K117 N123 Y173 A176 R177	F102-L119 HydrophobicContact CE1-CB 3.78Å; F102-L119 HydrophobicContact CZ-CB 4.28Å; R115-L119 HydrophobicContact CG-CD1 4.44Å; R115-L119 WeakPolarHBondContact O-CG 3.4Å; R115-L119 PolarHBondContact O-N 2.81Å; Y116-L119 PolarHBondContact O-N 3.05Å; Y116-L119 VanDerWaalsContact O-N 3.14Å; K117-L119 PolarHBondContact O-N 3.27Å; L119-N123 WeakPolarHBondContact O-CB 3.39Å; L119-N123 PolarHBondContact O-N 2.81Å; L119-N123 PolarHBondContact O-ND2 3.19Å; L119-N123 VanDerWaalsContact O-ND2 3.08Å; L119-Y173 HydrophobicContact CD2-CD2 4.16Å; L119-Y173 HydrophobicContact CD2-CE2 3.8Å; L119-A176 HydrophobicContact CD2-CB 4.47Å; L119-R177 HydrophobicContact CD2-CB 3.92Å; L119-R177 HydrophobicContact CD2-CG 4.32Å
120	D	85	Confident	78.7	Confident	94 Å²	94	50.7 Å²	50.7	50%	0.503	24%	0.238	S	C	.	.	H	α-helix	trans	-67.9	-46.1	179.1	-167.4	48.9	0	0	0	111.9	Y116 K117 V118 V122 N123 V124	Y116-D120 PolarHBondContact O-N 2.98Å; K117-D120 PolarHBondContact O-N 3.46Å; V118-D120 PolarHBondContact O-N 3.15Å; D120-V122 VanDerWaalsContact C-N 3.34Å; D120-V122 PolarHBondContact O-N 2.79Å; D120-N123 WeakPolarHBondContact O-CB 3.36Å; D120-N123 PolarHBondContact O-N 2.76Å; D120-N123 VanDerWaalsContact O-N 3.11Å; D120-V124 WeakPolarHBondContact O-CG2 3.41Å; D120-V124 PolarHBondContact O-N 3.15Å
121	E	85.5	Confident	78.7	Confident	26 Å²	26	54.1 Å²	54.1	12%	0.121	25%	0.254	C	S	.	.	H	α-helix	trans	-58.1	-45.1	176.1	-75.1	179.3	-161.3	0	0	111.8	K117 N123 V124 V125 Y188 H192 Y195	K117-E121 WeakPolarHBondContact O-CG 3.34Å; K117-E121 PolarHBondContact O-N 3.3Å; K117-E121 VanDerWaalsContact O-N 3.09Å; E121-N123 PolarHBondContact O-N 2.79Å; E121-V124 PolarHBondContact O-N 3.21Å; E121-V125 PolarHBondContact O-N 3.34Å; E121-Y188 PolarHBondContact OE1-OH 2.76Å; E121-H192 IonicContact OE1-CE1 3.32Å; E121-H192 PolarHBondContact OE1-CE1 3.23Å; E121-H192 IonicContact OE1-ND1 3.11Å; E121-H192 PolarHBondContact OE1-ND1 3.44Å; E121-H192 VanDerWaalsContact OE1-ND1 3.14Å; E121-H192 IonicContact OE2-CE1 3.45Å; E121-H192 IonicContact OE2-ND1 3.14Å; E121-H192 PolarHBondContact OE2-ND1 3.13Å; E121-Y195 HydrophobicContact CB-CD2 4.3Å; E121-Y195 HydrophobicContact CB-CE2 3.86Å; E121-Y195 PolarHBondContact O-OH 3.28Å
122	V	83.2	Confident	78.4	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-66.1	-37.9	176.2	177.3	0	0	0	0	111.6	V118 D120 V124 V125 L126 L144 F169 Y173 F191	V118-V122 WeakPolarHBondContact O-CG2 3.46Å; V118-V122 PolarHBondContact O-N 3.29Å; V118-V122 VanDerWaalsContact O-N 3.16Å; D120-V122 VanDerWaalsContact C-N 3.34Å; D120-V122 PolarHBondContact O-N 2.79Å; V122-V124 PolarHBondContact O-N 3.23Å; V122-V125 WeakPolarHBondContact O-CB 3.24Å; V122-V125 PolarHBondContact O-N 2.83Å; V122-L126 HydrophobicContact CG1-CD1 3.8Å; V122-L126 HydrophobicContact CG1-CG 4.03Å; V122-L126 WeakPolarHBondContact O-CB 3.47Å; V122-L126 VanDerWaalsContact O-CG 3.3Å; V122-L126 WeakPolarHBondContact O-CG 3.47Å; V122-L126 PolarHBondContact O-N 2.8Å; V122-L144 HydrophobicContact CG1-CD2 4.07Å; V122-F169 HydrophobicContact CG2-CZ 4.19Å; V122-Y173 HydrophobicContact CB-CD2 4.06Å; V122-Y173 HydrophobicContact CB-CE2 3.87Å; V122-Y173 HydrophobicContact CG1-CD2 4.02Å; V122-Y173 HydrophobicContact CG1-CE2 3.58Å; V122-Y173 HydrophobicContact CG2-CD2 3.73Å; V122-Y173 HydrophobicContact CG2-CE2 4.07Å; V122-F191 HydrophobicContact CG2-CE2 4.2Å; V122-F191 HydrophobicContact CG2-CZ 3.59Å
123	N	82.5	Confident	77.4	Confident	38 Å²	38	54.3 Å²	54.3	20%	0.203	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-39.2	177.3	-78.8	-31.3	0	0	0	112.6	F102 L119 D120 E121 V125 L126 R127	F102-N123 VanDerWaalsContact CE1-ND2 3.29Å; F102-N123 WeakPolarHBondContact CE1-ND2 3.48Å; F102-N123 WeakPolarHBondContact CZ-ND2 3.35Å; L119-N123 WeakPolarHBondContact O-CB 3.39Å; L119-N123 PolarHBondContact O-N 2.81Å; L119-N123 PolarHBondContact O-ND2 3.19Å; L119-N123 VanDerWaalsContact O-ND2 3.08Å; D120-N123 WeakPolarHBondContact O-CB 3.36Å; D120-N123 PolarHBondContact O-N 2.76Å; D120-N123 VanDerWaalsContact O-N 3.11Å; E121-N123 PolarHBondContact O-N 2.79Å; N123-V125 VanDerWaalsContact C-N 3.29Å; N123-V125 PolarHBondContact O-N 3.42Å; N123-L126 PolarHBondContact O-N 3.41Å; N123-R127 WeakPolarHBondContact O-CB 3.39Å; N123-R127 VanDerWaalsContact O-CG 3.29Å; N123-R127 WeakPolarHBondContact O-CG 3.45Å; N123-R127 PolarHBondContact O-N 3.43Å
124	V	82.7	Confident	76.2	Confident	57 Å²	57	53.9 Å²	53.9	35%	0.345	26%	0.258	S	S	.	.	H	α-helix	trans	-60.4	-42.6	175.1	171.6	0	0	0	0	110.4	D120 E121 V122 K128	D120-V124 WeakPolarHBondContact O-CG2 3.41Å; D120-V124 PolarHBondContact O-N 3.15Å; E121-V124 PolarHBondContact O-N 3.21Å; V122-V124 PolarHBondContact O-N 3.23Å; V124-K128 HydrophobicContact CG1-CD 4.47Å; V124-K128 WeakPolarHBondContact O-CG 3.3Å; V124-K128 PolarHBondContact O-N 3.03Å
125	V	77.7	Confident	74.9	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-49.4	174.7	163.8	0	0	0	0	111.7	E121 V122 N123 R127 K128 L129 Y195 F199 M202	E121-V125 PolarHBondContact O-N 3.34Å; V122-V125 WeakPolarHBondContact O-CB 3.24Å; V122-V125 PolarHBondContact O-N 2.83Å; N123-V125 VanDerWaalsContact C-N 3.29Å; N123-V125 PolarHBondContact O-N 3.42Å; V125-R127 VanDerWaalsContact C-N 3.28Å; V125-R127 PolarHBondContact O-N 3.42Å; V125-K128 WeakPolarHBondContact O-CB 3.38Å; V125-K128 PolarHBondContact O-N 2.63Å; V125-L129 HydrophobicContact CG1-CD1 3.73Å; V125-L129 HydrophobicContact CG1-CG 4.25Å; V125-L129 WeakPolarHBondContact O-CG 3.32Å; V125-L129 PolarHBondContact O-N 2.69Å; V125-Y195 HydrophobicContact CG2-CE2 3.44Å; V125-Y195 VanDerWaalsContact CG2-CE2 3.44Å; V125-Y195 WeakPolarHBondContact CG2-OH 3.25Å; V125-F199 HydrophobicContact CB-CD1 4.38Å; V125-F199 HydrophobicContact CB-CE1 4.19Å; V125-F199 HydrophobicContact CB-CZ 4.36Å; V125-F199 HydrophobicContact CG1-CD1 3.75Å; V125-F199 HydrophobicContact CG1-CE1 3.21Å; V125-F199 HydrophobicContact CG1-CE2 4.3Å; V125-F199 HydrophobicContact CG1-CZ 3.53Å; V125-F199 HydrophobicContact CG2-CB 4.29Å; V125-F199 HydrophobicContact CG2-CD1 3.67Å; V125-F199 HydrophobicContact CG2-CD2 3.88Å; V125-F199 HydrophobicContact CG2-CE1 3.91Å; V125-F199 HydrophobicContact CG2-CE2 4.1Å; V125-F199 HydrophobicContact CG2-CG 3.67Å; V125-F199 HydrophobicContact CG2-CZ 4.12Å; V125-M202 HydrophobicContact CB-CE 4.22Å; V125-M202 HydrophobicContact CG1-CE 3.77Å; V125-M202 HydrophobicContact CG2-CE 4.03Å
126	L	77.3	Confident	73.3	Confident	29 Å²	29	58.6 Å²	58.6	15%	0.152	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-40.8	-178.9	-75.7	173.9	0	0	0	111.3	V122 N123 K128 L129 Q130 L144	V122-L126 HydrophobicContact CG1-CD1 3.8Å; V122-L126 HydrophobicContact CG1-CG 4.03Å; V122-L126 WeakPolarHBondContact O-CB 3.47Å; V122-L126 VanDerWaalsContact O-CG 3.3Å; V122-L126 WeakPolarHBondContact O-CG 3.47Å; V122-L126 PolarHBondContact O-N 2.8Å; N123-L126 PolarHBondContact O-N 3.41Å; L126-K128 PolarHBondContact O-N 2.78Å; L126-L129 PolarHBondContact O-N 2.76Å; L126-Q130 WeakPolarHBondContact O-CB 3.46Å; L126-Q130 WeakPolarHBondContact O-CG 3.02Å; L126-Q130 PolarHBondContact O-N 2.63Å; L126-L144 HydrophobicContact CD2-CD1 3.99Å
127	R	75.8	Confident	71.9	Confident	172 Å²	172	64.5 Å²	64.5	65%	0.649	30%	0.304	S	S	*	.	H	α-helix	trans	-62.9	-40.7	174.6	-72.9	-179.5	-169.8	-150.8	7	112.2	N123 V125 Q130 Q131	N123-R127 WeakPolarHBondContact O-CB 3.39Å; N123-R127 VanDerWaalsContact O-CG 3.29Å; N123-R127 WeakPolarHBondContact O-CG 3.45Å; N123-R127 PolarHBondContact O-N 3.43Å; V125-R127 VanDerWaalsContact C-N 3.28Å; V125-R127 PolarHBondContact O-N 3.42Å; R127-Q130 PolarHBondContact O-N 3.01Å; R127-Q131 WeakPolarHBondContact O-CG 3.25Å; R127-Q131 PolarHBondContact O-N 3Å; R127-Q131 VanDerWaalsContact O-N 3.17Å
128	K	73.9	Confident	70.4	Confident	91 Å²	91	62.5 Å²	62.5	40%	0.396	30%	0.297	S	S	.	.	H	α-helix	trans	-65.6	-40.8	175.4	-72.3	172.8	-178.1	176.3	0	112	V124 V125 L126 Q131 M202	V124-K128 HydrophobicContact CG1-CD 4.47Å; V124-K128 WeakPolarHBondContact O-CG 3.3Å; V124-K128 PolarHBondContact O-N 3.03Å; V125-K128 WeakPolarHBondContact O-CB 3.38Å; V125-K128 PolarHBondContact O-N 2.63Å; L126-K128 PolarHBondContact O-N 2.78Å; K128-Q131 PolarHBondContact O-N 2.88Å; K128-M202 HydrophobicContact CB-CE 4.37Å
129	L	70.8	Confident	68.6	Low	5 Å²	5	63.7 Å²	63.7	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-65.6	-39.1	175.5	-69.1	171.1	0	0	0	111.4	V125 L126 Q131 M132 F135 L147 L151 M202	V125-L129 HydrophobicContact CG1-CD1 3.73Å; V125-L129 HydrophobicContact CG1-CG 4.25Å; V125-L129 WeakPolarHBondContact O-CG 3.32Å; V125-L129 PolarHBondContact O-N 2.69Å; L126-L129 PolarHBondContact O-N 2.76Å; L129-Q131 VanDerWaalsContact C-N 3.26Å; L129-Q131 PolarHBondContact O-N 3.15Å; L129-M132 VanDerWaalsContact O-CB 3.28Å; L129-M132 WeakPolarHBondContact O-CB 3.4Å; L129-M132 PolarHBondContact O-N 2.78Å; L129-F135 VanDerWaalsContact O-CB 3.26Å; L129-F135 WeakPolarHBondContact O-CB 3.33Å; L129-L147 HydrophobicContact CD1-CD2 3.84Å; L129-L151 HydrophobicContact CD1-CD1 4.34Å; L129-L151 HydrophobicContact CD2-CD1 4.26Å; L129-M202 HydrophobicContact CD2-SD 3.94Å; L129-M202 HydrophobicContact CG-CE 4.47Å; L129-M202 HydrophobicContact CG-SD 4.46Å
130	Q	69.2	Low	67	Low	72 Å²	72	69.8 Å²	69.8	34%	0.336	33%	0.328	S	S	.	.	H	α-helix	trans	-63.6	-29.3	175.6	-76.5	171.8	-12.3	0	0	113.5	L126 R127 M132	L126-Q130 WeakPolarHBondContact O-CB 3.46Å; L126-Q130 WeakPolarHBondContact O-CG 3.02Å; L126-Q130 PolarHBondContact O-N 2.63Å; R127-Q130 PolarHBondContact O-N 3.01Å; Q130-M132 PolarHBondContact O-N 2.93Å
131	Q	67.7	Low	65.5	Low	160 Å²	160	69.8 Å²	69.8	75%	0.748	34%	0.335	S	S	*	.	H	α-helix	trans	-70.6	-21.6	174.4	-72	173.4	-2.4	0	0	112.6	R127 K128 L129 S133	R127-Q131 WeakPolarHBondContact O-CG 3.25Å; R127-Q131 PolarHBondContact O-N 3Å; R127-Q131 VanDerWaalsContact O-N 3.17Å; K128-Q131 PolarHBondContact O-N 2.88Å; L129-Q131 VanDerWaalsContact C-N 3.26Å; L129-Q131 PolarHBondContact O-N 3.15Å; Q131-S133 PolarHBondContact O-N 3.38Å
132	M	63.4	Low	64.3	Low	62 Å²	62	69.3 Å²	69.3	31%	0.305	34%	0.335	S	S	.	.	S	Bend	trans	-71	104.5	168.8	-57.2	-68.4	-178.8	0	0	107	L129 Q130 N134 F135 W205	L129-M132 VanDerWaalsContact O-CB 3.28Å; L129-M132 WeakPolarHBondContact O-CB 3.4Å; L129-M132 PolarHBondContact O-N 2.78Å; Q130-M132 PolarHBondContact O-N 2.93Å; M132-N134 PolarHBondContact O-N 2.83Å; M132-F135 HydrophobicContact CB-CD2 4.24Å; M132-F135 PolarHBondContact O-N 2.79Å; M132-W205 HydrophobicContact CE-CB 4.47Å
133	S	52.6	Low	63.6	Low	71 Å²	71	70.9 Å²	70.9	50%	0.497	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41.2	-29.8	-173.7	51.6	0	0	0	0	115.8	Q131 H210	Q131-S133 PolarHBondContact O-N 3.38Å; S133-H210 PolarHBondContact OG-CE1 3.28Å; S133-H210 PolarHBondContact OG-NE2 2.94Å
134	N	54	Low	63.2	Low	49 Å²	49	70.1 Å²	70.1	26%	0.262	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-18.6	-179.3	-64.8	-16.6	0	0	0	114.4	M132 H210 L213	M132-N134 PolarHBondContact O-N 2.83Å; N134-H210 PolarHBondContact ND2-O 3.02Å; N134-L213 HydrophobicContact CB-CB 4.18Å; N134-L213 HydrophobicContact CB-CD1 3.77Å
135	F	54.3	Low	62.8	Low	20 Å²	20	67.9 Å²	67.9	9%	0.088	33%	0.328	C	S	.	.	S	Bend	trans	-89.1	-11.8	-173.4	-98.4	-81.5	0	0	0	114.9	L129 M132 K137 D138 S139 L147 L151 L213	L129-F135 VanDerWaalsContact O-CB 3.26Å; L129-F135 WeakPolarHBondContact O-CB 3.33Å; M132-F135 HydrophobicContact CB-CD2 4.24Å; M132-F135 PolarHBondContact O-N 2.79Å; F135-K137 PolarHBondContact O-N 3.4Å; F135-K137 VanDerWaalsContact O-N 3.15Å; F135-D138 PolarHBondContact O-N 3.25Å; F135-S139 WeakPolarHBondContact O-CB 3.42Å; F135-S139 PolarHBondContact O-N 3.47Å; F135-S139 PolarHBondContact O-OG 3.49Å; F135-L147 HydrophobicContact CD1-CD1 3.93Å; F135-L147 HydrophobicContact CE1-CD1 3.87Å; F135-L147 HydrophobicContact CE1-CG 3.95Å; F135-L151 HydrophobicContact CE1-CD2 4.41Å; F135-L151 HydrophobicContact CE2-CD2 4.04Å; F135-L151 HydrophobicContact CZ-CD2 3.48Å; F135-L151 VanDerWaalsContact CZ-CD2 3.48Å; F135-L151 HydrophobicContact CZ-CG 4.37Å; F135-L213 HydrophobicContact CD2-CD1 4.27Å; F135-L213 HydrophobicContact CE2-CD1 3.92Å; F135-L213 HydrophobicContact CE2-CD2 4.5Å
136	Y	49.3	Very low	62.5	Low	145 Å²	145	68.3 Å²	68.3	57%	0.569	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.7	-175.2	-165.7	-92.7	0	0	0	112.4	Y140	Y136-Y140 HydrophobicContact CD1-CE2 4.15Å; Y136-Y140 HydrophobicContact CD2-CE2 4.28Å; Y136-Y140 AromaticContact CE1-CE2 3.85Å; Y136-Y140 HydrophobicContact CE1-CE2 3.85Å; Y136-Y140 AromaticContact CE2-CE2 3.98Å; Y136-Y140 HydrophobicContact CE2-CE2 3.98Å; Y136-Y140 HydrophobicContact CG-CE2 4.36Å; Y136-Y140 AromaticContact CZ-CE2 3.76Å; Y136-Y140 VanDerWaalsContact O-CD2 3.25Å; Y136-Y140 WeakPolarHBondContact O-CD2 3.26Å; Y136-Y140 WeakPolarHBondContact O-CE2 3.43Å
137	K	50.6	Low	62.4	Low	149 Å²	149	67.2 Å²	67.2	65%	0.648	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-32.6	-172.2	-139.3	168.9	178.8	-180	0	113.8	F135	F135-K137 PolarHBondContact O-N 3.4Å; F135-K137 VanDerWaalsContact O-N 3.15Å
138	D	52.7	Low	62.3	Low	43 Å²	43	59.2 Å²	59.2	23%	0.23	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-29.4	-176.5	-74.4	-2.6	0	0	0	112.6	F135 Y140 S141 A142 R150	F135-D138 PolarHBondContact O-N 3.25Å; D138-Y140 VanDerWaalsContact C-N 3.3Å; D138-Y140 PolarHBondContact O-N 2.9Å; D138-S141 PolarHBondContact O-N 3.36Å; D138-A142 WeakPolarHBondContact O-CB 3.46Å; D138-A142 PolarHBondContact O-N 3.01Å; D138-R150 IonicContact OD2-NH1 3.34Å; D138-R150 PolarHBondContact OD2-NH1 3.41Å
139	S	49.5	Very low	62.3	Low	25 Å²	25	57.7 Å²	57.7	18%	0.175	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-31.6	-171.8	-63.1	0	0	0	0	114.3	F135	F135-S139 WeakPolarHBondContact O-CB 3.42Å; F135-S139 PolarHBondContact O-N 3.47Å; F135-S139 PolarHBondContact O-OG 3.49Å
140	Y	48.7	Very low	62.4	Low	151 Å²	151	59.6 Å²	59.6	59%	0.592	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-21.9	-177.6	-67.5	-75.3	0	0	0	113.4	Y136 D138	Y136-Y140 HydrophobicContact CD1-CE2 4.15Å; Y136-Y140 HydrophobicContact CD2-CE2 4.28Å; Y136-Y140 AromaticContact CE1-CE2 3.85Å; Y136-Y140 HydrophobicContact CE1-CE2 3.85Å; Y136-Y140 AromaticContact CE2-CE2 3.98Å; Y136-Y140 HydrophobicContact CE2-CE2 3.98Å; Y136-Y140 HydrophobicContact CG-CE2 4.36Å; Y136-Y140 AromaticContact CZ-CE2 3.76Å; Y136-Y140 VanDerWaalsContact O-CD2 3.25Å; Y136-Y140 WeakPolarHBondContact O-CD2 3.26Å; Y136-Y140 WeakPolarHBondContact O-CE2 3.43Å; D138-Y140 VanDerWaalsContact C-N 3.3Å; D138-Y140 PolarHBondContact O-N 2.9Å
141	S	54.3	Low	62.4	Low	95 Å²	95	56.4 Å²	56.4	66%	0.664	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-26	-173.6	-169.2	0	0	0	0	113.6	D138	D138-S141 PolarHBondContact O-N 3.36Å
142	A	60.4	Low	62.4	Low	15 Å²	15	50.9 Å²	50.9	12%	0.124	26%	0.255	C	S	.	.	S	Bend	trans	-89.8	137.4	-176.4	0	0	0	0	0	111.3	D138 L222	D138-A142 WeakPolarHBondContact O-CB 3.46Å; D138-A142 PolarHBondContact O-N 3.01Å; A142-L222 HydrophobicContact CB-CD1 3.94Å
143	P	68.1	Low	62.6	Low	36 Å²	36	54.7 Å²	54.7	23%	0.234	28%	0.277	C	S	.	.			trans	-62.1	152.6	166.4	27.5	-31.7	0	0	0	110.2	D145 I146 L147 I230	P143-D145 PolarHBondContact O-N 3.16Å; P143-D145 VanDerWaalsContact O-N 3.1Å; P143-I146 HydrophobicContact CG-CD1 3.89Å; P143-I146 HydrophobicContact CG-CG1 4.3Å; P143-I146 PolarHBondContact O-N 2.9Å; P143-L147 PolarHBondContact O-N 3.24Å; P143-I230 VanDerWaalsContact CD-CD1 3.44Å; P143-I230 HydrophobicContact CG-CD1 3.56Å; P143-I230 HydrophobicContact CG-CG1 3.73Å
144	L	73.4	Confident	63.1	Low	22 Å²	22	53.4 Å²	53.4	12%	0.115	26%	0.263	C	S	.	.	H	α-helix	trans	-53.4	-34.4	-179.6	-177.2	69	0	0	0	111.8	V122 L126 L147 L148 F169 Y173	V122-L144 HydrophobicContact CG1-CD2 4.07Å; L126-L144 HydrophobicContact CD2-CD1 3.99Å; L144-L147 HydrophobicContact CD1-CD2 4.43Å; L144-L147 PolarHBondContact O-N 3.49Å; L144-L148 HydrophobicContact CD1-CD1 3.72Å; L144-L148 HydrophobicContact CG-CD1 4.09Å; L144-L148 HydrophobicContact CG-CD2 4.41Å; L144-L148 WeakPolarHBondContact O-CB 3.47Å; L144-L148 PolarHBondContact O-N 3.2Å; L144-F169 HydrophobicContact CD2-CE1 4.32Å; L144-Y173 HydrophobicContact CB-CD1 4.37Å; L144-Y173 HydrophobicContact CB-CE1 4.06Å; L144-Y173 HydrophobicContact CD2-CD1 3.37Å; L144-Y173 HydrophobicContact CD2-CD2 4.38Å; L144-Y173 HydrophobicContact CD2-CE1 3.53Å; L144-Y173 HydrophobicContact CD2-CG 3.79Å; L144-Y173 HydrophobicContact CG-CE1 4.42Å
145	D	74.5	Confident	63.3	Low	11 Å²	11	57.5 Å²	57.5	6%	0.059	29%	0.285	C	S	.	.	H	α-helix	trans	-52.6	-55.6	177.8	-163.5	14.9	0	0	0	112.6	P143 L147 L148 H149 V170 R233	P143-D145 PolarHBondContact O-N 3.16Å; P143-D145 VanDerWaalsContact O-N 3.1Å; D145-L147 VanDerWaalsContact C-N 3.32Å; D145-L147 PolarHBondContact O-N 2.97Å; D145-L148 PolarHBondContact O-N 3.18Å; D145-H149 PolarHBondContact O-CD2 3.37Å; D145-H149 VanDerWaalsContact O-CD2 3.29Å; D145-H149 PolarHBondContact O-N 2.98Å; D145-H149 IonicContact OD1-CD2 3.05Å; D145-H149 PolarHBondContact OD1-CD2 3.45Å; D145-H149 IonicContact OD1-NE2 2.81Å; D145-H149 PolarHBondContact OD1-NE2 2.95Å; D145-V170 HydrophobicContact CB-CG1 3.77Å; D145-V170 HydrophobicContact CB-CG2 4.38Å; D145-R233 IonicContact OD1-NH1 3.72Å; D145-R233 PolarHBondContact OD1-NH1 3.46Å; D145-R233 VanDerWaalsContact OD2-CD 3.25Å; D145-R233 WeakPolarHBondContact OD2-CD 3.25Å; D145-R233 IonicContact OD2-CZ 3.61Å; D145-R233 IonicContact OD2-NE 3.78Å; D145-R233 IonicContact OD2-NH1 2.76Å; D145-R233 PolarHBondContact OD2-NH1 3.22Å
146	I	72.4	Confident	63.5	Low	11 Å²	11	58.6 Å²	58.6	6%	0.056	29%	0.291	C	S	.	.	H	α-helix	trans	-67.5	-38.8	-179.1	-72.4	165	0	0	0	110.7	P143 L148 H149 R150 L222 E226 I230	P143-I146 HydrophobicContact CG-CD1 3.89Å; P143-I146 HydrophobicContact CG-CG1 4.3Å; P143-I146 PolarHBondContact O-N 2.9Å; I146-L148 VanDerWaalsContact C-N 3.27Å; I146-L148 PolarHBondContact O-N 3.05Å; I146-H149 PolarHBondContact O-N 3.27Å; I146-R150 HydrophobicContact CG2-CG 4.12Å; I146-R150 VanDerWaalsContact CG2-NE 3.34Å; I146-R150 WeakPolarHBondContact O-CB 3.04Å; I146-R150 VanDerWaalsContact O-CG 3.24Å; I146-R150 WeakPolarHBondContact O-CG 3.43Å; I146-R150 PolarHBondContact O-N 3.35Å; I146-L222 HydrophobicContact CD1-CD2 3.88Å; I146-L222 HydrophobicContact CD1-CG 4.49Å; I146-E226 HydrophobicContact CD1-CB 4.09Å; I146-I230 HydrophobicContact CD1-CD1 3.46Å; I146-I230 VanDerWaalsContact CD1-CD1 3.46Å; I146-I230 HydrophobicContact CD1-CG1 3.27Å; I146-I230 HydrophobicContact CG1-CG1 4.44Å
147	L	74	Confident	63.8	Low	7 Å²	7	53.1 Å²	53.1	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-57.8	-46.6	176.8	-176.9	144.9	0	0	0	109.9	L129 F135 P143 L144 D145 R150 L151	L129-L147 HydrophobicContact CD1-CD2 3.84Å; F135-L147 HydrophobicContact CD1-CD1 3.93Å; F135-L147 HydrophobicContact CE1-CD1 3.87Å; F135-L147 HydrophobicContact CE1-CG 3.95Å; P143-L147 PolarHBondContact O-N 3.24Å; L144-L147 HydrophobicContact CD1-CD2 4.43Å; L144-L147 PolarHBondContact O-N 3.49Å; D145-L147 VanDerWaalsContact C-N 3.32Å; D145-L147 PolarHBondContact O-N 2.97Å; L147-R150 PolarHBondContact O-N 2.74Å; L147-L151 HydrophobicContact CD2-CD1 3.87Å; L147-L151 HydrophobicContact CD2-CG 4.48Å; L147-L151 VanDerWaalsContact O-CG 3.3Å; L147-L151 WeakPolarHBondContact O-CG 3.22Å; L147-L151 PolarHBondContact O-N 2.72Å; L147-L151 VanDerWaalsContact O-N 3.1Å
148	L	74.3	Confident	64	Low	4 Å²	4	48.1 Å²	48.1	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-67.8	-43.3	178.7	-105	56.8	0	0	0	112.9	L144 D145 I146 R150 L151 M152 L166 F169 V170	L144-L148 HydrophobicContact CD1-CD1 3.72Å; L144-L148 HydrophobicContact CG-CD1 4.09Å; L144-L148 HydrophobicContact CG-CD2 4.41Å; L144-L148 WeakPolarHBondContact O-CB 3.47Å; L144-L148 PolarHBondContact O-N 3.2Å; D145-L148 PolarHBondContact O-N 3.18Å; I146-L148 VanDerWaalsContact C-N 3.27Å; I146-L148 PolarHBondContact O-N 3.05Å; L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 3.03Å; L148-L151 WeakPolarHBondContact O-CB 3.49Å; L148-L151 PolarHBondContact O-N 2.91Å; L148-L151 VanDerWaalsContact O-N 3.12Å; L148-M152 PolarHBondContact O-N 3.04Å; L148-L166 HydrophobicContact CB-CD1 3.87Å; L148-L166 HydrophobicContact CB-CD2 3.81Å; L148-L166 HydrophobicContact CB-CG 4.12Å; L148-L166 HydrophobicContact CD2-CD1 3.51Å; L148-L166 HydrophobicContact CD2-CG 4.21Å; L148-L166 HydrophobicContact CG-CD1 3.8Å; L148-F169 HydrophobicContact CD2-CD1 3.49Å; L148-F169 VanDerWaalsContact CD2-CD1 3.49Å; L148-F169 HydrophobicContact CD2-CE1 3.49Å; L148-F169 VanDerWaalsContact CD2-CE1 3.49Å; L148-V170 HydrophobicContact CD2-CG2 3.95Å
149	H	73.6	Confident	64.1	Low	58 Å²	58	54.7 Å²	54.7	27%	0.269	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-38.9	175.8	-86.1	-68.4	0	0	0	112.2	D145 I146 L151 M152 D153 N167	D145-H149 PolarHBondContact O-CD2 3.37Å; D145-H149 VanDerWaalsContact O-CD2 3.29Å; D145-H149 PolarHBondContact O-N 2.98Å; D145-H149 IonicContact OD1-CD2 3.05Å; D145-H149 PolarHBondContact OD1-CD2 3.45Å; D145-H149 IonicContact OD1-NE2 2.81Å; D145-H149 PolarHBondContact OD1-NE2 2.95Å; I146-H149 PolarHBondContact O-N 3.27Å; H149-L151 VanDerWaalsContact C-N 3.32Å; H149-L151 PolarHBondContact O-N 3Å; H149-M152 WeakPolarHBondContact O-CB 3.44Å; H149-M152 PolarHBondContact O-N 3.27Å; H149-D153 WeakPolarHBondContact O-CB 3.37Å; H149-D153 PolarHBondContact O-N 2.76Å; H149-N167 PolarHBondContact NE2-OD1 3.11Å
150	R	72.6	Confident	64.7	Low	46 Å²	46	62.4 Å²	62.4	17%	0.174	31%	0.309	C	S	.	.	H	α-helix	trans	-64.5	-36.7	173.5	-73.2	175.7	-178.1	-176.3	2.6	112	D138 I146 L147 L148 M152 Q154 E226	D138-R150 IonicContact OD2-NH1 3.34Å; D138-R150 PolarHBondContact OD2-NH1 3.41Å; I146-R150 HydrophobicContact CG2-CG 4.12Å; I146-R150 VanDerWaalsContact CG2-NE 3.34Å; I146-R150 WeakPolarHBondContact O-CB 3.04Å; I146-R150 VanDerWaalsContact O-CG 3.24Å; I146-R150 WeakPolarHBondContact O-CG 3.43Å; I146-R150 PolarHBondContact O-N 3.35Å; L147-R150 PolarHBondContact O-N 2.74Å; L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 3.03Å; R150-M152 VanDerWaalsContact C-N 3.3Å; R150-Q154 WeakPolarHBondContact O-CB 3.47Å; R150-Q154 WeakPolarHBondContact O-CG 3.44Å; R150-Q154 PolarHBondContact O-N 2.91Å; R150-Q154 VanDerWaalsContact O-N 3.12Å; R150-E226 IonicContact CZ-OE1 3.96Å; R150-E226 IonicContact CZ-OE2 2.76Å; R150-E226 IonicContact NE-OE1 3.87Å; R150-E226 PolarHBondContact NE-OE1 2.97Å; R150-E226 IonicContact NE-OE2 3.89Å; R150-E226 IonicContact NH2-OE1 2.8Å; R150-E226 PolarHBondContact NH2-OE1 3.22Å; R150-E226 IonicContact NH2-OE2 2.69Å; R150-E226 PolarHBondContact NH2-OE2 3.44Å
151	L	70.3	Confident	65.5	Low	4 Å²	4	55.9 Å²	55.9	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-67.6	-31.4	174.2	-67	178.2	0	0	0	112.3	L129 F135 L147 L148 H149 L156 C157 W205	L129-L151 HydrophobicContact CD1-CD1 4.34Å; L129-L151 HydrophobicContact CD2-CD1 4.26Å; F135-L151 HydrophobicContact CE1-CD2 4.41Å; F135-L151 HydrophobicContact CE2-CD2 4.04Å; F135-L151 HydrophobicContact CZ-CD2 3.48Å; F135-L151 VanDerWaalsContact CZ-CD2 3.48Å; F135-L151 HydrophobicContact CZ-CG 4.37Å; L147-L151 HydrophobicContact CD2-CD1 3.87Å; L147-L151 HydrophobicContact CD2-CG 4.48Å; L147-L151 VanDerWaalsContact O-CG 3.3Å; L147-L151 WeakPolarHBondContact O-CG 3.22Å; L147-L151 PolarHBondContact O-N 2.72Å; L147-L151 VanDerWaalsContact O-N 3.1Å; L148-L151 WeakPolarHBondContact O-CB 3.49Å; L148-L151 PolarHBondContact O-N 2.91Å; L148-L151 VanDerWaalsContact O-N 3.12Å; H149-L151 VanDerWaalsContact C-N 3.32Å; H149-L151 PolarHBondContact O-N 3Å; L151-L156 HydrophobicContact CD2-CD1 4.4Å; L151-L156 PolarHBondContact O-N 3.04Å; L151-C157 PolarHBondContact O-N 3.45Å; L151-W205 HydrophobicContact CD1-CH2 4.43Å; L151-W205 HydrophobicContact CD2-CH2 3.78Å; L151-W205 HydrophobicContact CD2-CZ2 4.07Å; L151-W205 HydrophobicContact CG-CH2 4.47Å
152	M	67.3	Low	66.6	Low	44 Å²	44	55 Å²	55	22%	0.217	28%	0.276	C	S	.	.	H	α-helix	trans	-72.1	-48.5	173.2	-75.8	-169.8	60	0	0	112.2	L148 H149 R150 Q154 D155 C157 C161 L166	L148-M152 PolarHBondContact O-N 3.04Å; H149-M152 WeakPolarHBondContact O-CB 3.44Å; H149-M152 PolarHBondContact O-N 3.27Å; R150-M152 VanDerWaalsContact C-N 3.3Å; M152-Q154 PolarHBondContact O-N 3.13Å; M152-D155 PolarHBondContact O-N 3.49Å; M152-C157 HydrophobicContact CG-CB 4.24Å; M152-C161 HydrophobicContact CE-CB 4.49Å; M152-C161 WeakPolarHBondContact CE-O 3.39Å; M152-L166 HydrophobicContact CG-CD2 4.07Å; M152-L166 HydrophobicContact SD-CB 3.84Å; M152-L166 HydrophobicContact SD-CD1 4Å; M152-L166 HydrophobicContact SD-CD2 3.26Å; M152-L166 WeakPolarHBondContact SD-CD2 3.33Å; M152-L166 HydrophobicContact SD-CG 3.87Å
153	D	67.4	Low	67.4	Low	143 Å²	143	56.4 Å²	56.4	77%	0.765	29%	0.288	S	S	*	.	H	α-helix	trans	-62.8	-29.1	-178.8	-168.6	45.4	0	0	0	112.4	H149 D155	H149-D153 WeakPolarHBondContact O-CB 3.37Å; H149-D153 PolarHBondContact O-N 2.76Å; D153-D155 PolarHBondContact O-N 3.08Å
154	Q	63.7	Low	68.1	Low	43 Å²	43	60.2 Å²	60.2	20%	0.201	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	7.3	177	-68.1	173.8	6.5	0	0	114	R150 M152 L156	R150-Q154 WeakPolarHBondContact O-CB 3.47Å; R150-Q154 WeakPolarHBondContact O-CG 3.44Å; R150-Q154 PolarHBondContact O-N 2.91Å; R150-Q154 VanDerWaalsContact O-N 3.12Å; M152-Q154 PolarHBondContact O-N 3.13Å; Q154-L156 HydrophobicContact CB-CD1 3.41Å; Q154-L156 VanDerWaalsContact CB-CD1 3.41Å; Q154-L156 HydrophobicContact CB-CG 4.07Å; Q154-L156 HydrophobicContact CG-CD1 4.37Å; Q154-L156 PolarHBondContact O-N 2.98Å; Q154-L156 VanDerWaalsContact O-N 3.16Å
155	D	57.8	Low	68.6	Low	135 Å²	135	61.4 Å²	61.4	72%	0.722	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	18.8	-176.8	-67.4	-47.4	0	0	0	114.7	M152 D153 C157	M152-D155 PolarHBondContact O-N 3.49Å; D153-D155 PolarHBondContact O-N 3.08Å; D155-C157 VanDerWaalsContact C-N 3.3Å
156	L	58.3	Low	69	Low	43 Å²	43	60.9 Å²	60.9	23%	0.225	31%	0.308	C	S	.	.			trans	-81.5	-17.4	-178.5	-61.6	144.8	0	0	0	111.8	L151 Q154 P158 W205	L151-L156 HydrophobicContact CD2-CD1 4.4Å; L151-L156 PolarHBondContact O-N 3.04Å; Q154-L156 HydrophobicContact CB-CD1 3.41Å; Q154-L156 VanDerWaalsContact CB-CD1 3.41Å; Q154-L156 HydrophobicContact CB-CG 4.07Å; Q154-L156 HydrophobicContact CG-CD1 4.37Å; Q154-L156 PolarHBondContact O-N 2.98Å; Q154-L156 VanDerWaalsContact O-N 3.16Å; L156-P158 VanDerWaalsContact O-CD 3.29Å; L156-P158 WeakPolarHBondContact O-CD 3.42Å; L156-W205 HydrophobicContact CB-CH2 3.32Å; L156-W205 HydrophobicContact CB-CZ2 3.09Å; L156-W205 HydrophobicContact CB-CZ3 4.24Å; L156-W205 HydrophobicContact CD1-CH2 4.39Å; L156-W205 HydrophobicContact CD1-CZ2 3.63Å; L156-W205 HydrophobicContact CD2-CZ2 3.53Å; L156-W205 VanDerWaalsContact CD2-NE1 3.27Å; L156-W205 HydrophobicContact CG-CH2 4.24Å; L156-W205 HydrophobicContact CG-CZ2 3.54Å
157	C	55.8	Low	69.5	Low	30 Å²	30	62.2 Å²	62.2	20%	0.203	32%	0.315	C	S	.	.	S	Bend	trans	-73.3	113.9	172.5	-73.8	0	0	0	0	110.3	L151 M152 D155 R159	L151-C157 PolarHBondContact O-N 3.45Å; M152-C157 HydrophobicContact CG-CB 4.24Å; D155-C157 VanDerWaalsContact C-N 3.3Å; C157-R159 VanDerWaalsContact C-N 3.27Å; C157-R159 PolarHBondContact O-N 3.33Å
158	P	54.5	Low	70.2	Confident	44 Å²	44	65.5 Å²	65.5	29%	0.286	33%	0.33	S	S	.	.			trans	-86.3	20	-158.3	31	-33.1	0	0	0	115.8	L156 K201	L156-P158 VanDerWaalsContact O-CD 3.29Å; L156-P158 WeakPolarHBondContact O-CD 3.42Å; P158-K201 HydrophobicContact CB-CB 4.04Å; P158-K201 HydrophobicContact CB-CD 3.39Å; P158-K201 HydrophobicContact CB-CG 4.4Å; P158-K201 HydrophobicContact CG-CB 3.25Å; P158-K201 HydrophobicContact CG-CD 3.41Å; P158-K201 VanDerWaalsContact CG-CD 3.41Å; P158-K201 HydrophobicContact CG-CG 3.96Å; P158-K201 PolarHBondContact O-NZ 3.34Å
159	R	55.9	Low	70.8	Confident	182 Å²	182	65.5 Å²	65.5	69%	0.687	33%	0.33	S	S	*	.	S	Bend	trans	173.1	136.8	163.2	-114.6	177.4	168.6	-179.8	-4.8	111.4	C157 C161	C157-R159 VanDerWaalsContact C-N 3.27Å; C157-R159 PolarHBondContact O-N 3.33Å; R159-C161 VanDerWaalsContact C-N 3.27Å; R159-C161 PolarHBondContact O-N 3.12Å
160	K	62.3	Low	71.3	Confident	186 Å²	186	63 Å²	63	81%	0.809	32%	0.319	S	S	*	.			trans	45.1	23.6	143.7	-62.4	-171.8	177.2	-170.2	0	119.5	T162	K160-T162 PolarHBondContact O-N 3.48Å
161	C	64.1	Low	72	Confident	15 Å²	15	65 Å²	65	10%	0.101	33%	0.33	C	S	.	.			trans	-73	120.3	164.8	-70.1	0	0	0	0	107.8	M152 R159 E165 L198	M152-C161 HydrophobicContact CE-CB 4.49Å; M152-C161 WeakPolarHBondContact CE-O 3.39Å; R159-C161 VanDerWaalsContact C-N 3.27Å; R159-C161 PolarHBondContact O-N 3.12Å; C161-E165 WeakPolarHBondContact CA-OE2 3.42Å; C161-L198 HydrophobicContact CB-CD2 4.22Å
162	T	77.8	Confident	72.9	Confident	76 Å²	76	65 Å²	65	47%	0.466	33%	0.331	S	S	.	.			trans	-69	147.3	171.4	-52.5	0	0	0	0	108.2	K160 D164 E165 L166	K160-T162 PolarHBondContact O-N 3.48Å; T162-D164 HydrophobicContact CG2-CB 4.18Å; T162-D164 PolarHBondContact O-N 3.27Å; T162-D164 VanDerWaalsContact O-N 3.09Å; T162-E165 PolarHBondContact N-OE2 2.99Å; T162-E165 PolarHBondContact O-N 2.62Å; T162-L166 PolarHBondContact O-N 3.42Å; T162-L166 VanDerWaalsContact O-N 3.16Å
163	A	77.9	Confident	73.7	Confident	45 Å²	45	63.2 Å²	63.2	37%	0.372	32%	0.321	S	S	.	.	H	α-helix	trans	-53.7	-31.1	174.9	0	0	0	0	0	112.1	L166 N167	A163-L166 PolarHBondContact O-N 3Å; A163-N167 PolarHBondContact O-N 3.37Å; A163-N167 PolarHBondContact O-ND2 3.47Å
164	D	82.6	Confident	74.5	Confident	116 Å²	116	59.6 Å²	59.6	62%	0.62	30%	0.3	S	S	*	.	H	α-helix	trans	-69.4	-43.2	176.4	-60.8	-32.6	0	0	0	113.1	T162 L166 N167 E168	T162-D164 HydrophobicContact CG2-CB 4.18Å; T162-D164 PolarHBondContact O-N 3.27Å; T162-D164 VanDerWaalsContact O-N 3.09Å; D164-L166 PolarHBondContact O-N 3.1Å; D164-N167 PolarHBondContact O-N 2.61Å; D164-E168 PolarHBondContact O-N 2.9Å
165	E	83.7	Confident	75.4	Confident	47 Å²	47	59.4 Å²	59.4	22%	0.22	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-36.7	175.3	-67.1	-176.8	138.9	0	0	110.9	C161 T162 F169 T194 K197	C161-E165 WeakPolarHBondContact CA-OE2 3.42Å; T162-E165 PolarHBondContact N-OE2 2.99Å; T162-E165 PolarHBondContact O-N 2.62Å; E165-F169 WeakPolarHBondContact O-CB 3.35Å; E165-F169 PolarHBondContact O-N 3Å; E165-T194 HydrophobicContact CB-CG2 4.39Å; E165-K197 IonicContact OE1-NZ 2.92Å; E165-K197 PolarHBondContact OE1-NZ 2.96Å; E165-K197 IonicContact OE2-NZ 3.68Å
166	L	82.3	Confident	76.6	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.2	-45.5	175.4	-167.9	74.4	0	0	0	111.3	L148 M152 T162 A163 D164 E168 F169 V170 L198	L148-L166 HydrophobicContact CB-CD1 3.87Å; L148-L166 HydrophobicContact CB-CD2 3.81Å; L148-L166 HydrophobicContact CB-CG 4.12Å; L148-L166 HydrophobicContact CD2-CD1 3.51Å; L148-L166 HydrophobicContact CD2-CG 4.21Å; L148-L166 HydrophobicContact CG-CD1 3.8Å; M152-L166 HydrophobicContact CG-CD2 4.07Å; M152-L166 HydrophobicContact SD-CB 3.84Å; M152-L166 HydrophobicContact SD-CD1 4Å; M152-L166 HydrophobicContact SD-CD2 3.26Å; M152-L166 WeakPolarHBondContact SD-CD2 3.33Å; M152-L166 HydrophobicContact SD-CG 3.87Å; T162-L166 PolarHBondContact O-N 3.42Å; T162-L166 VanDerWaalsContact O-N 3.16Å; A163-L166 PolarHBondContact O-N 3Å; D164-L166 PolarHBondContact O-N 3.1Å; L166-E168 VanDerWaalsContact C-N 3.31Å; L166-E168 PolarHBondContact O-N 2.88Å; L166-F169 WeakPolarHBondContact O-CB 3.29Å; L166-F169 PolarHBondContact O-N 3.38Å; L166-V170 VanDerWaalsContact O-CG2 3.3Å; L166-V170 WeakPolarHBondContact O-CG2 3.48Å; L166-V170 PolarHBondContact O-N 3.23Å; L166-L198 HydrophobicContact CD1-CD1 3.94Å; L166-L198 HydrophobicContact CD1-CD2 4.14Å
167	N	84	Confident	77.6	Confident	38 Å²	38	56 Å²	56	20%	0.203	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-40.6	177.8	-67.4	-33.1	0	0	0	110.9	H149 A163 D164 V170 E171 R233	H149-N167 PolarHBondContact NE2-OD1 3.11Å; A163-N167 PolarHBondContact O-N 3.37Å; A163-N167 PolarHBondContact O-ND2 3.47Å; D164-N167 PolarHBondContact O-N 2.61Å; N167-V170 PolarHBondContact O-N 3.24Å; N167-E171 WeakPolarHBondContact O-CB 3.47Å; N167-E171 PolarHBondContact O-N 2.73Å; N167-R233 PolarHBondContact ND2-NH2 2.82Å; N167-R233 PolarHBondContact OD1-NH1 2.92Å; N167-R233 PolarHBondContact OD1-NH2 3.19Å; N167-R233 VanDerWaalsContact OD1-NH2 3.15Å
168	E	87.2	Confident	78.5	Confident	77 Å²	77	59.2 Å²	59.2	36%	0.36	28%	0.28	S	S	.	.	H	α-helix	trans	-62.6	-45.3	174.4	-175.3	178.3	-173.7	0	0	111.3	D164 L166 V170 E171 I172 R190	D164-E168 PolarHBondContact O-N 2.9Å; L166-E168 VanDerWaalsContact C-N 3.31Å; L166-E168 PolarHBondContact O-N 2.88Å; E168-V170 VanDerWaalsContact C-N 3.33Å; E168-V170 PolarHBondContact O-N 3.37Å; E168-E171 PolarHBondContact O-N 2.89Å; E168-E171 VanDerWaalsContact O-N 3.17Å; E168-I172 HydrophobicContact CG-CD1 4.06Å; E168-I172 WeakPolarHBondContact O-CG1 3.33Å; E168-I172 PolarHBondContact O-N 2.82Å; E168-R190 IonicContact OE1-NH1 3.16Å
169	F	87	Confident	79.5	Confident	3 Å²	3	61.7 Å²	61.7	1%	0.013	29%	0.286	C	S	.	.	H	α-helix	trans	-56.7	-46.3	174.8	172.9	-88.5	0	0	0	112.1	V122 L144 L148 E165 L166 Y173 F191 T194 Y195 L198 F199	V122-F169 HydrophobicContact CG2-CZ 4.19Å; L144-F169 HydrophobicContact CD2-CE1 4.32Å; L148-F169 HydrophobicContact CD2-CD1 3.49Å; L148-F169 VanDerWaalsContact CD2-CD1 3.49Å; L148-F169 HydrophobicContact CD2-CE1 3.49Å; L148-F169 VanDerWaalsContact CD2-CE1 3.49Å; E165-F169 WeakPolarHBondContact O-CB 3.35Å; E165-F169 PolarHBondContact O-N 3Å; L166-F169 WeakPolarHBondContact O-CB 3.29Å; L166-F169 PolarHBondContact O-N 3.38Å; F169-Y173 PolarHBondContact O-N 3.41Å; F169-Y173 VanDerWaalsContact O-N 3.1Å; F169-F191 HydrophobicContact CD1-CE2 4.44Å; F169-F191 AromaticContact CD2-CD2 3.46Å; F169-F191 HydrophobicContact CD2-CD2 3.46Å; F169-F191 VanDerWaalsContact CD2-CD2 3.46Å; F169-F191 AromaticContact CD2-CE2 3.34Å; F169-F191 HydrophobicContact CD2-CE2 3.34Å; F169-F191 HydrophobicContact CD2-CG 4.28Å; F169-F191 HydrophobicContact CD2-CZ 4.04Å; F169-F191 HydrophobicContact CE1-CE2 4.14Å; F169-F191 AromaticContact CE2-CD2 3.57Å; F169-F191 HydrophobicContact CE2-CD2 3.57Å; F169-F191 HydrophobicContact CE2-CE1 4.07Å; F169-F191 AromaticContact CE2-CE2 2.97Å; F169-F191 HydrophobicContact CE2-CE2 2.97Å; F169-F191 HydrophobicContact CE2-CG 4.31Å; F169-F191 AromaticContact CE2-CZ 3.23Å; F169-F191 HydrophobicContact CE2-CZ 3.23Å; F169-F191 HydrophobicContact CG-CD2 4.24Å; F169-F191 HydrophobicContact CG-CE2 4.08Å; F169-F191 HydrophobicContact CZ-CD2 4.38Å; F169-F191 AromaticContact CZ-CE2 3.41Å; F169-F191 HydrophobicContact CZ-CE2 3.41Å; F169-F191 VanDerWaalsContact CZ-CE2 3.41Å; F169-F191 AromaticContact CZ-CZ 3.59Å; F169-F191 HydrophobicContact CZ-CZ 3.59Å; F169-T194 HydrophobicContact CB-CG2 3.9Å; F169-T194 HydrophobicContact CD2-CG2 4.17Å; F169-T194 HydrophobicContact CG-CG2 4.32Å; F169-Y195 HydrophobicContact CE2-CD2 4.18Å; F169-Y195 HydrophobicContact CZ-CD2 4.34Å; F169-L198 HydrophobicContact CG-CD1 4.46Å; F169-F199 HydrophobicContact CE2-CE2 4.39Å; F169-F199 AromaticContact CZ-CE2 3.87Å; F169-F199 HydrophobicContact CZ-CE2 3.87Å
170	V	85.9	Confident	80.2	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.03	30%	0.295	C	S	.	.	H	α-helix	trans	-64.6	-41.7	176.7	171.7	0	0	0	0	110.7	D145 L148 L166 N167 E168 I172 Y173 E174	D145-V170 HydrophobicContact CB-CG1 3.77Å; D145-V170 HydrophobicContact CB-CG2 4.38Å; L148-V170 HydrophobicContact CD2-CG2 3.95Å; L166-V170 VanDerWaalsContact O-CG2 3.3Å; L166-V170 WeakPolarHBondContact O-CG2 3.48Å; L166-V170 PolarHBondContact O-N 3.23Å; N167-V170 PolarHBondContact O-N 3.24Å; E168-V170 VanDerWaalsContact C-N 3.33Å; E168-V170 PolarHBondContact O-N 3.37Å; V170-I172 PolarHBondContact O-N 3.29Å; V170-Y173 PolarHBondContact O-N 2.78Å; V170-E174 HydrophobicContact CG1-CG 4.26Å; V170-E174 WeakPolarHBondContact O-CB 3.4Å; V170-E174 WeakPolarHBondContact O-CG 3.47Å; V170-E174 PolarHBondContact O-N 3.07Å
171	E	86.7	Confident	81	Confident	89 Å²	89	60.1 Å²	60.1	42%	0.416	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-43.6	179.4	-164.3	-162.3	143.5	0	0	112	N167 E168 Y173 E174 R175	N167-E171 WeakPolarHBondContact O-CB 3.47Å; N167-E171 PolarHBondContact O-N 2.73Å; E168-E171 PolarHBondContact O-N 2.89Å; E168-E171 VanDerWaalsContact O-N 3.17Å; E171-Y173 VanDerWaalsContact C-N 3.33Å; E171-Y173 PolarHBondContact O-N 3.12Å; E171-E174 PolarHBondContact O-N 3.46Å; E171-R175 VanDerWaalsContact O-CB 3.26Å; E171-R175 WeakPolarHBondContact O-CB 2.99Å; E171-R175 PolarHBondContact O-N 3.44Å; E171-R175 IonicContact OE1-CZ 2.94Å; E171-R175 IonicContact OE1-NH2 2.82Å; E171-R175 PolarHBondContact OE1-NH2 3.16Å
172	I	88	Confident	81.5	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-42.6	177	-65.2	164.4	0	0	0	110	E168 V170 R175 A176 V183 F191	E168-I172 HydrophobicContact CG-CD1 4.06Å; E168-I172 WeakPolarHBondContact O-CG1 3.33Å; E168-I172 PolarHBondContact O-N 2.82Å; V170-I172 PolarHBondContact O-N 3.29Å; I172-R175 WeakPolarHBondContact O-CB 3.32Å; I172-R175 PolarHBondContact O-N 2.88Å; I172-A176 WeakPolarHBondContact O-CB 3.3Å; I172-A176 PolarHBondContact O-N 3.04Å; I172-V183 HydrophobicContact CG2-CG1 4.48Å; I172-F191 HydrophobicContact CB-CD2 4.23Å; I172-F191 HydrophobicContact CD1-CB 4.11Å; I172-F191 HydrophobicContact CG2-CB 4.01Å; I172-F191 HydrophobicContact CG2-CD2 4.02Å; I172-F191 HydrophobicContact CG2-CG 4.26Å
173	Y	86	Confident	81.5	Confident	6 Å²	6	61.8 Å²	61.8	2%	0.024	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-45	175.1	170	-101.7	0	0	0	112.7	V118 L119 V122 L144 F169 V170 E171 R175 A176 R177	V118-Y173 HydrophobicContact CG1-CD2 4.36Å; L119-Y173 HydrophobicContact CD2-CD2 4.16Å; L119-Y173 HydrophobicContact CD2-CE2 3.8Å; V122-Y173 HydrophobicContact CB-CD2 4.06Å; V122-Y173 HydrophobicContact CB-CE2 3.87Å; V122-Y173 HydrophobicContact CG1-CD2 4.02Å; V122-Y173 HydrophobicContact CG1-CE2 3.58Å; V122-Y173 HydrophobicContact CG2-CD2 3.73Å; V122-Y173 HydrophobicContact CG2-CE2 4.07Å; L144-Y173 HydrophobicContact CB-CD1 4.37Å; L144-Y173 HydrophobicContact CB-CE1 4.06Å; L144-Y173 HydrophobicContact CD2-CD1 3.37Å; L144-Y173 HydrophobicContact CD2-CD2 4.38Å; L144-Y173 HydrophobicContact CD2-CE1 3.53Å; L144-Y173 HydrophobicContact CD2-CG 3.79Å; L144-Y173 HydrophobicContact CG-CE1 4.42Å; F169-Y173 PolarHBondContact O-N 3.41Å; F169-Y173 VanDerWaalsContact O-N 3.1Å; V170-Y173 PolarHBondContact O-N 2.78Å; E171-Y173 VanDerWaalsContact C-N 3.33Å; E171-Y173 PolarHBondContact O-N 3.12Å; Y173-R175 VanDerWaalsContact C-N 3.29Å; Y173-R175 PolarHBondContact O-N 3.19Å; Y173-A176 CarbonylContact O-C 3.54Å; Y173-A176 PolarHBondContact O-N 2.87Å; Y173-R177 WeakPolarHBondContact O-CB 3.48Å; Y173-R177 PolarHBondContact O-N 3.3Å; Y173-R177 WeakPolarHBondContact OH-CD 3.26Å; Y173-R177 PolarHBondContact OH-NH1 3.02Å
174	E	82.6	Confident	81.8	Confident	66 Å²	66	63.4 Å²	63.4	31%	0.308	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-35.5	176.7	-74.5	-165.6	164	0	0	111.9	V170 E171 R177 Y178 K179	V170-E174 HydrophobicContact CG1-CG 4.26Å; V170-E174 WeakPolarHBondContact O-CB 3.4Å; V170-E174 WeakPolarHBondContact O-CG 3.47Å; V170-E174 PolarHBondContact O-N 3.07Å; E171-E174 PolarHBondContact O-N 3.46Å; E174-R177 PolarHBondContact O-N 3.36Å; E174-Y178 HydrophobicContact CB-CD2 4.02Å; E174-Y178 HydrophobicContact CG-CD2 4.08Å; E174-Y178 HydrophobicContact CG-CE2 4.11Å; E174-Y178 WeakPolarHBondContact O-CA 3.14Å; E174-Y178 WeakPolarHBondContact O-CB 3.19Å; E174-Y178 PolarHBondContact O-N 3.3Å; E174-K179 PolarHBondContact O-N 3.28Å
175	R	83.5	Confident	81.9	Confident	40 Å²	40	63.4 Å²	63.4	15%	0.151	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-47.6	171.7	-172.4	-175.5	-58	179.6	-0.8	110.3	E171 I172 Y173 R177 K179 Q181 D187	E171-R175 VanDerWaalsContact O-CB 3.26Å; E171-R175 WeakPolarHBondContact O-CB 2.99Å; E171-R175 PolarHBondContact O-N 3.44Å; E171-R175 IonicContact OE1-CZ 2.94Å; E171-R175 IonicContact OE1-NH2 2.82Å; E171-R175 PolarHBondContact OE1-NH2 3.16Å; I172-R175 WeakPolarHBondContact O-CB 3.32Å; I172-R175 PolarHBondContact O-N 2.88Å; Y173-R175 VanDerWaalsContact C-N 3.29Å; Y173-R175 PolarHBondContact O-N 3.19Å; R175-R177 VanDerWaalsContact C-N 3.31Å; R175-R177 PolarHBondContact O-N 2.87Å; R175-K179 HydrophobicContact CB-CD 4.25Å; R175-K179 HydrophobicContact CG-CB 4.32Å; R175-K179 HydrophobicContact CG-CD 4.14Å; R175-K179 WeakPolarHBondContact O-CB 3.47Å; R175-K179 PolarHBondContact O-N 3.17Å; R175-K179 VanDerWaalsContact O-N 3.15Å; R175-Q181 HydrophobicContact CG-CB 4.13Å; R175-D187 IonicContact NH1-OD2 3.26Å; R175-D187 PolarHBondContact NH1-OD2 3.32Å
176	A	82.2	Confident	82.1	Confident	0 Å²	0	65 Å²	65	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-30.9	177.3	0	0	0	0	0	113.2	R115 V118 L119 I172 Y173 V183	R115-A176 HydrophobicContact CG-CB 4.08Å; R115-A176 WeakPolarHBondContact CG-O 3.29Å; R115-A176 PolarHBondContact NE-O 2.85Å; R115-A176 PolarHBondContact NH2-O 3.37Å; V118-A176 HydrophobicContact CB-CB 4.27Å; V118-A176 HydrophobicContact CG1-CB 3.94Å; L119-A176 HydrophobicContact CD2-CB 4.47Å; I172-A176 WeakPolarHBondContact O-CB 3.3Å; I172-A176 PolarHBondContact O-N 3.04Å; Y173-A176 CarbonylContact O-C 3.54Å; Y173-A176 PolarHBondContact O-N 2.87Å; A176-V183 HydrophobicContact CB-CG2 3.91Å
177	R	79.6	Confident	82.4	Confident	107 Å²	107	66.5 Å²	66.5	40%	0.404	30%	0.298	S	S	.	.	H	α-helix	trans	-93	-44.4	-176.8	-170.9	168.6	173.8	159.5	-3.2	113.5	L99 L119 Y173 E174 R175	L99-R177 WeakPolarHBondContact CD2-O 3.34Å; L119-R177 HydrophobicContact CD2-CB 3.92Å; L119-R177 HydrophobicContact CD2-CG 4.32Å; Y173-R177 WeakPolarHBondContact O-CB 3.48Å; Y173-R177 PolarHBondContact O-N 3.3Å; Y173-R177 WeakPolarHBondContact OH-CD 3.26Å; Y173-R177 PolarHBondContact OH-NH1 3.02Å; E174-R177 PolarHBondContact O-N 3.36Å; R175-R177 VanDerWaalsContact C-N 3.31Å; R175-R177 PolarHBondContact O-N 2.87Å
178	Y	75.4	Confident	82.6	Confident	97 Å²	97	65 Å²	65	38%	0.38	29%	0.289	S	S	.	.	H	α-helix	trans	-112.7	-20.6	-167.2	-54.7	-62.4	0	0	0	114	Y96 E174	Y96-Y178 WeakPolarHBondContact CE1-O 3.43Å; E174-Y178 HydrophobicContact CB-CD2 4.02Å; E174-Y178 HydrophobicContact CG-CD2 4.08Å; E174-Y178 HydrophobicContact CG-CE2 4.11Å; E174-Y178 WeakPolarHBondContact O-CA 3.14Å; E174-Y178 WeakPolarHBondContact O-CB 3.19Å; E174-Y178 PolarHBondContact O-N 3.3Å
179	K	75.6	Confident	82.7	Confident	95 Å²	95	65 Å²	65	41%	0.413	29%	0.292	S	S	.	.			trans	-96.5	149.9	178.9	-58.9	-179.5	-177.5	168.6	0	110.2	R115 E174 R175 Q181	R115-K179 VanDerWaalsContact CZ-O 3.31Å; R115-K179 PolarHBondContact NH1-O 3.17Å; R115-K179 PolarHBondContact NH2-O 2.92Å; E174-K179 PolarHBondContact O-N 3.28Å; R175-K179 HydrophobicContact CB-CD 4.25Å; R175-K179 HydrophobicContact CG-CB 4.32Å; R175-K179 HydrophobicContact CG-CD 4.14Å; R175-K179 WeakPolarHBondContact O-CB 3.47Å; R175-K179 PolarHBondContact O-N 3.17Å; R175-K179 VanDerWaalsContact O-N 3.15Å; K179-Q181 HydrophobicContact CB-CB 4.34Å; K179-Q181 PolarHBondContact O-N 2.8Å
180	R	70.5	Confident	82.8	Confident	235 Å²	235	71 Å²	71	89%	0.887	32%	0.315	S	S	*	.			trans	-77.6	-7.9	172.9	-166.7	174.7	-179.1	-176	2.5	112.4
181	Q	77.9	Confident	83	Confident	101 Å²	101	70.8 Å²	70.8	47%	0.472	31%	0.313	S	S	.	.	S	Bend	trans	-60.3	139.8	179.6	-165.9	175.1	2.5	0	0	110.8	R175 K179	R175-Q181 HydrophobicContact CG-CB 4.13Å; K179-Q181 HydrophobicContact CB-CB 4.34Å; K179-Q181 PolarHBondContact O-N 2.8Å
182	E	75.5	Confident	83.1	Confident	122 Å²	122	69.3 Å²	69.3	57%	0.57	31%	0.306	S	S	*	.			trans	-70.7	145.3	170.9	63	-173	176.7	0	0	110.5
183	V	77.6	Confident	83.1	Confident	3 Å²	3	72.1 Å²	72.1	2%	0.018	33%	0.326	C	S	.	.			trans	-95.9	115.7	174.8	178.7	0	0	0	0	106.2	R115 I172 A176 D187	R115-V183 HydrophobicContact CB-CB 4.45Å; R115-V183 HydrophobicContact CB-CG2 4.15Å; I172-V183 HydrophobicContact CG2-CG1 4.48Å; A176-V183 HydrophobicContact CB-CG2 3.91Å; V183-D187 HydrophobicContact CG1-CB 3.94Å
184	V	83.8	Confident	83.1	Confident	80 Å²	80	72.4 Å²	72.4	49%	0.485	33%	0.328	S	S	.	.			trans	-71.1	154.7	178.3	-174.8	0	0	0	0	109.1	D186 D187 Y188	V184-D186 PolarHBondContact O-N 2.91Å; V184-D187 WeakPolarHBondContact O-CB 3.47Å; V184-D187 PolarHBondContact O-N 2.98Å; V184-Y188 PolarHBondContact O-N 3.13Å; V184-Y188 VanDerWaalsContact O-N 3.11Å
185	K	84.9	Confident	83.2	Confident	116 Å²	116	70.6 Å²	70.6	50%	0.504	32%	0.319	S	S	.	.	H	α-helix	trans	-52.8	-41.8	175.1	-174.4	178.9	-174.3	179.1	0	112.9	Y114 D187 Y188 D189	Y114-K185 HydrophobicContact CD2-CB 4.4Å; Y114-K185 HydrophobicContact CE1-CB 4.16Å; Y114-K185 HydrophobicContact CE1-CD 4.47Å; Y114-K185 HydrophobicContact CE1-CG 3.79Å; Y114-K185 HydrophobicContact CE2-CB 3.84Å; Y114-K185 HydrophobicContact CE2-CG 4.25Å; Y114-K185 VanDerWaalsContact OH-CD 3.31Å; Y114-K185 WeakPolarHBondContact OH-CD 3.28Å; Y114-K185 WeakPolarHBondContact OH-CG 3.32Å; K185-D187 PolarHBondContact O-N 3.01Å; K185-Y188 WeakPolarHBondContact O-CA 3.4Å; K185-Y188 WeakPolarHBondContact O-CB 3.5Å; K185-Y188 PolarHBondContact O-N 2.69Å; K185-Y188 VanDerWaalsContact O-N 3.11Å; K185-D189 PolarHBondContact O-N 2.89Å
186	D	88.7	Confident	83.2	Confident	80 Å²	80	71.6 Å²	71.6	43%	0.428	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-43.5	178.7	-168.1	70.1	0	0	0	112.1	V184 Y188 D189 R190	V184-D186 PolarHBondContact O-N 2.91Å; D186-Y188 VanDerWaalsContact C-N 3.28Å; D186-Y188 PolarHBondContact O-N 2.93Å; D186-D189 PolarHBondContact O-N 3.47Å; D186-R190 WeakPolarHBondContact O-CG 3.48Å; D186-R190 PolarHBondContact O-N 2.94Å; D186-R190 IonicContact OD2-CZ 2.77Å; D186-R190 IonicContact OD2-NE 3.94Å; D186-R190 PolarHBondContact OD2-NE 3Å; D186-R190 IonicContact OD2-NH2 2.85Å; D186-R190 PolarHBondContact OD2-NH2 3.11Å
187	D	88.2	Confident	83.1	Confident	31 Å²	31	76 Å²	76	17%	0.166	35%	0.346	C	S	.	.	H	α-helix	trans	-60.8	-40.3	174.5	-71.5	-7.4	0	0	0	110.7	R175 V183 V184 K185 F191	R175-D187 IonicContact NH1-OD2 3.26Å; R175-D187 PolarHBondContact NH1-OD2 3.32Å; V183-D187 HydrophobicContact CG1-CB 3.94Å; V184-D187 WeakPolarHBondContact O-CB 3.47Å; V184-D187 PolarHBondContact O-N 2.98Å; K185-D187 PolarHBondContact O-N 3.01Å; D187-F191 VanDerWaalsContact O-CB 3.23Å; D187-F191 WeakPolarHBondContact O-CB 3.47Å; D187-F191 PolarHBondContact O-N 3.09Å
188	Y	87.7	Confident	82.9	Confident	6 Å²	6	71.3 Å²	71.3	2%	0.024	33%	0.329	C	S	.	.	H	α-helix	trans	-66	-43.1	176.3	173	-97.3	0	0	0	112.4	Y114 K117 V118 E121 V184 K185 D186 R190 F191 H192	Y114-Y188 AromaticContact CD1-CD1 3.73Å; Y114-Y188 HydrophobicContact CD1-CD1 3.73Å; Y114-Y188 HydrophobicContact CD1-CD2 4.45Å; Y114-Y188 AromaticContact CD1-CG 3.69Å; Y114-Y188 HydrophobicContact CD1-CG 3.69Å; Y114-Y188 HydrophobicContact CE1-CD1 4.14Å; Y114-Y188 HydrophobicContact CG-CG 4.45Å; K117-Y188 HydrophobicContact CB-CD2 4.39Å; K117-Y188 HydrophobicContact CB-CE2 3.83Å; K117-Y188 HydrophobicContact CD-CE1 3.97Å; K117-Y188 HydrophobicContact CD-CE2 3.77Å; K117-Y188 WeakPolarHBondContact CD-OH 3.28Å; K117-Y188 WeakPolarHBondContact CE-OH 3.41Å; K117-Y188 HydrophobicContact CG-CE2 3.66Å; K117-Y188 PolarHBondContact NZ-OH 3.3Å; V118-Y188 HydrophobicContact CG2-CD2 3.7Å; V118-Y188 HydrophobicContact CG2-CE2 4.35Å; E121-Y188 PolarHBondContact OE1-OH 2.76Å; V184-Y188 PolarHBondContact O-N 3.13Å; V184-Y188 VanDerWaalsContact O-N 3.11Å; K185-Y188 WeakPolarHBondContact O-CA 3.4Å; K185-Y188 WeakPolarHBondContact O-CB 3.5Å; K185-Y188 PolarHBondContact O-N 2.69Å; K185-Y188 VanDerWaalsContact O-N 3.11Å; D186-Y188 VanDerWaalsContact C-N 3.28Å; D186-Y188 PolarHBondContact O-N 2.93Å; Y188-R190 VanDerWaalsContact C-N 3.34Å; Y188-R190 PolarHBondContact O-N 2.95Å; Y188-F191 WeakPolarHBondContact O-CB 3.06Å; Y188-F191 PolarHBondContact O-N 3.14Å; Y188-H192 HydrophobicContact CE1-CB 4.22Å; Y188-H192 HydrophobicContact CE2-CB 4.46Å; Y188-H192 VanDerWaalsContact O-CB 3.29Å; Y188-H192 WeakPolarHBondContact O-CB 3.49Å; Y188-H192 PolarHBondContact O-N 2.75Å; Y188-H192 PolarHBondContact OH-ND1 2.99Å
189	D	90.4	Very high	82.8	Confident	79 Å²	79	67.8 Å²	67.8	42%	0.422	32%	0.316	S	S	.	.	H	α-helix	trans	-65.3	-39.5	-179.3	-68.9	-26.3	0	0	0	111.2	K185 D186 H192 C193	K185-D189 PolarHBondContact O-N 2.89Å; D186-D189 PolarHBondContact O-N 3.47Å; D189-H192 PolarHBondContact O-N 2.9Å; D189-C193 WeakPolarHBondContact O-CB 3.45Å; D189-C193 PolarHBondContact O-N 3.39Å
190	R	89.2	Confident	82.4	Confident	128 Å²	128	67.6 Å²	67.6	48%	0.483	32%	0.322	S	S	.	.	H	α-helix	trans	-62.9	-48	171.6	-67.6	175.3	-166.7	-149.8	5.1	111.8	E168 D186 Y188 H192 C193 T194	E168-R190 IonicContact OE1-NH1 3.16Å; D186-R190 WeakPolarHBondContact O-CG 3.48Å; D186-R190 PolarHBondContact O-N 2.94Å; D186-R190 IonicContact OD2-CZ 2.77Å; D186-R190 IonicContact OD2-NE 3.94Å; D186-R190 PolarHBondContact OD2-NE 3Å; D186-R190 IonicContact OD2-NH2 2.85Å; D186-R190 PolarHBondContact OD2-NH2 3.11Å; Y188-R190 VanDerWaalsContact C-N 3.34Å; Y188-R190 PolarHBondContact O-N 2.95Å; R190-H192 VanDerWaalsContact C-N 3.32Å; R190-H192 PolarHBondContact O-N 3.01Å; R190-C193 WeakPolarHBondContact O-CB 3.48Å; R190-C193 PolarHBondContact O-N 3.35Å; R190-T194 PolarHBondContact O-N 3.13Å; R190-T194 PolarHBondContact O-OG1 3.32Å
191	F	90.1	Very high	81.7	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-56.5	-47.3	175.9	171.3	-87.9	0	0	0	111.1	V118 V122 F169 I172 D187 Y188 C193 T194 Y195	V118-F191 HydrophobicContact CB-CD1 4.48Å; V118-F191 HydrophobicContact CB-CE1 4.28Å; V118-F191 HydrophobicContact CB-CZ 4.48Å; V118-F191 HydrophobicContact CG1-CD1 4.33Å; V118-F191 HydrophobicContact CG1-CD2 4.18Å; V118-F191 HydrophobicContact CG1-CE1 3.98Å; V118-F191 HydrophobicContact CG1-CE2 3.78Å; V118-F191 HydrophobicContact CG1-CG 4.45Å; V118-F191 HydrophobicContact CG1-CZ 3.71Å; V118-F191 HydrophobicContact CG2-CD1 3.91Å; V118-F191 HydrophobicContact CG2-CE1 4.2Å; V118-F191 HydrophobicContact CG2-CG 4.19Å; V122-F191 HydrophobicContact CG2-CE2 4.2Å; V122-F191 HydrophobicContact CG2-CZ 3.59Å; F169-F191 HydrophobicContact CD1-CE2 4.44Å; F169-F191 AromaticContact CD2-CD2 3.46Å; F169-F191 HydrophobicContact CD2-CD2 3.46Å; F169-F191 VanDerWaalsContact CD2-CD2 3.46Å; F169-F191 AromaticContact CD2-CE2 3.34Å; F169-F191 HydrophobicContact CD2-CE2 3.34Å; F169-F191 HydrophobicContact CD2-CG 4.28Å; F169-F191 HydrophobicContact CD2-CZ 4.04Å; F169-F191 HydrophobicContact CE1-CE2 4.14Å; F169-F191 AromaticContact CE2-CD2 3.57Å; F169-F191 HydrophobicContact CE2-CD2 3.57Å; F169-F191 HydrophobicContact CE2-CE1 4.07Å; F169-F191 AromaticContact CE2-CE2 2.97Å; F169-F191 HydrophobicContact CE2-CE2 2.97Å; F169-F191 HydrophobicContact CE2-CG 4.31Å; F169-F191 AromaticContact CE2-CZ 3.23Å; F169-F191 HydrophobicContact CE2-CZ 3.23Å; F169-F191 HydrophobicContact CG-CD2 4.24Å; F169-F191 HydrophobicContact CG-CE2 4.08Å; F169-F191 HydrophobicContact CZ-CD2 4.38Å; F169-F191 AromaticContact CZ-CE2 3.41Å; F169-F191 HydrophobicContact CZ-CE2 3.41Å; F169-F191 VanDerWaalsContact CZ-CE2 3.41Å; F169-F191 AromaticContact CZ-CZ 3.59Å; F169-F191 HydrophobicContact CZ-CZ 3.59Å; I172-F191 HydrophobicContact CB-CD2 4.23Å; I172-F191 HydrophobicContact CD1-CB 4.11Å; I172-F191 HydrophobicContact CG2-CB 4.01Å; I172-F191 HydrophobicContact CG2-CD2 4.02Å; I172-F191 HydrophobicContact CG2-CG 4.26Å; D187-F191 VanDerWaalsContact O-CB 3.23Å; D187-F191 WeakPolarHBondContact O-CB 3.47Å; D187-F191 PolarHBondContact O-N 3.09Å; Y188-F191 WeakPolarHBondContact O-CB 3.06Å; Y188-F191 PolarHBondContact O-N 3.14Å; F191-C193 PolarHBondContact O-N 2.88Å; F191-T194 PolarHBondContact O-N 2.93Å; F191-Y195 HydrophobicContact CE1-CD2 4.38Å; F191-Y195 HydrophobicContact CZ-CD2 4.39Å; F191-Y195 VanDerWaalsContact O-CB 3.25Å; F191-Y195 WeakPolarHBondContact O-CB 3.32Å; F191-Y195 PolarHBondContact O-N 3.05Å
192	H	88.4	Confident	80.7	Confident	58 Å²	58	57.3 Å²	57.3	27%	0.269	28%	0.283	S	S	.	.	H	α-helix	trans	-68.6	-34.3	-177.8	-168.2	70.5	0	0	0	112	E121 Y188 D189 R190 Y195 N196	E121-H192 IonicContact OE1-CE1 3.32Å; E121-H192 PolarHBondContact OE1-CE1 3.23Å; E121-H192 IonicContact OE1-ND1 3.11Å; E121-H192 PolarHBondContact OE1-ND1 3.44Å; E121-H192 VanDerWaalsContact OE1-ND1 3.14Å; E121-H192 IonicContact OE2-CE1 3.45Å; E121-H192 IonicContact OE2-ND1 3.14Å; E121-H192 PolarHBondContact OE2-ND1 3.13Å; Y188-H192 HydrophobicContact CE1-CB 4.22Å; Y188-H192 HydrophobicContact CE2-CB 4.46Å; Y188-H192 VanDerWaalsContact O-CB 3.29Å; Y188-H192 WeakPolarHBondContact O-CB 3.49Å; Y188-H192 PolarHBondContact O-N 2.75Å; Y188-H192 PolarHBondContact OH-ND1 2.99Å; D189-H192 PolarHBondContact O-N 2.9Å; R190-H192 VanDerWaalsContact C-N 3.32Å; R190-H192 PolarHBondContact O-N 3.01Å; H192-Y195 PolarHBondContact O-N 2.89Å; H192-N196 PolarHBondContact CD2-ND2 3.04Å; H192-N196 PolarHBondContact NE2-ND2 2.93Å; H192-N196 WeakPolarHBondContact O-CB 3.28Å; H192-N196 PolarHBondContact O-N 3.22Å; H192-N196 PolarHBondContact O-ND2 3.43Å; H192-N196 VanDerWaalsContact O-ND2 3.15Å
193	C	87.3	Confident	79.7	Confident	65 Å²	65	60.2 Å²	60.2	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-49.2	171.6	-173.5	0	0	0	0	111.3	D189 R190 F191 N196 K197	D189-C193 WeakPolarHBondContact O-CB 3.45Å; D189-C193 PolarHBondContact O-N 3.39Å; R190-C193 WeakPolarHBondContact O-CB 3.48Å; R190-C193 PolarHBondContact O-N 3.35Å; F191-C193 PolarHBondContact O-N 2.88Å; C193-N196 PolarHBondContact O-N 2.94Å; C193-K197 WeakPolarHBondContact O-CG 3.35Å; C193-K197 PolarHBondContact O-N 2.89Å
194	T	85.2	Confident	78.7	Confident	11 Å²	11	66.1 Å²	66.1	7%	0.067	33%	0.325	C	S	.	.	H	α-helix	trans	-67.1	-39.4	177.4	-56.9	0	0	0	0	112	E165 F169 R190 F191 N196 K197 L198	E165-T194 HydrophobicContact CB-CG2 4.39Å; F169-T194 HydrophobicContact CB-CG2 3.9Å; F169-T194 HydrophobicContact CD2-CG2 4.17Å; F169-T194 HydrophobicContact CG-CG2 4.32Å; R190-T194 PolarHBondContact O-N 3.13Å; R190-T194 PolarHBondContact O-OG1 3.32Å; F191-T194 PolarHBondContact O-N 2.93Å; T194-N196 VanDerWaalsContact C-N 3.34Å; T194-N196 PolarHBondContact O-N 3.16Å; T194-K197 WeakPolarHBondContact O-CB 3.5Å; T194-K197 PolarHBondContact O-N 3.47Å; T194-L198 HydrophobicContact CG2-CD1 3.85Å; T194-L198 WeakPolarHBondContact O-CG 3.32Å; T194-L198 PolarHBondContact O-N 3.38Å
195	Y	85.4	Confident	77.3	Confident	29 Å²	29	64.6 Å²	64.6	11%	0.114	31%	0.311	C	S	.	.	H	α-helix	trans	-55.7	-48.7	172.4	178.5	-90.9	0	0	0	110.9	E121 V125 F169 F191 H192 K197 L198 F199	E121-Y195 HydrophobicContact CB-CD2 4.3Å; E121-Y195 HydrophobicContact CB-CE2 3.86Å; E121-Y195 PolarHBondContact O-OH 3.28Å; V125-Y195 HydrophobicContact CG2-CE2 3.44Å; V125-Y195 VanDerWaalsContact CG2-CE2 3.44Å; V125-Y195 WeakPolarHBondContact CG2-OH 3.25Å; F169-Y195 HydrophobicContact CE2-CD2 4.18Å; F169-Y195 HydrophobicContact CZ-CD2 4.34Å; F191-Y195 HydrophobicContact CE1-CD2 4.38Å; F191-Y195 HydrophobicContact CZ-CD2 4.39Å; F191-Y195 VanDerWaalsContact O-CB 3.25Å; F191-Y195 WeakPolarHBondContact O-CB 3.32Å; F191-Y195 PolarHBondContact O-N 3.05Å; H192-Y195 PolarHBondContact O-N 2.89Å; Y195-K197 PolarHBondContact O-N 3.23Å; Y195-L198 PolarHBondContact O-N 3.49Å; Y195-F199 HydrophobicContact CD1-CD2 4.3Å; Y195-F199 AromaticContact CD2-CD2 3.21Å; Y195-F199 HydrophobicContact CD2-CD2 3.21Å; Y195-F199 AromaticContact CD2-CE2 3.55Å; Y195-F199 HydrophobicContact CD2-CE2 3.55Å; Y195-F199 HydrophobicContact CD2-CG 4.3Å; Y195-F199 HydrophobicContact CE1-CB 4.35Å; Y195-F199 HydrophobicContact CE1-CD2 4.42Å; Y195-F199 HydrophobicContact CE2-CB 4.45Å; Y195-F199 AromaticContact CE2-CD2 3.35Å; Y195-F199 HydrophobicContact CE2-CD2 3.35Å; Y195-F199 AromaticContact CE2-CE2 3.82Å; Y195-F199 HydrophobicContact CE2-CE2 3.82Å; Y195-F199 HydrophobicContact CE2-CG 4.09Å; Y195-F199 AromaticContact CG-CD2 3.71Å; Y195-F199 HydrophobicContact CG-CD2 3.71Å; Y195-F199 HydrophobicContact CG-CE2 4.34Å; Y195-F199 AromaticContact CZ-CD2 3.98Å; Y195-F199 WeakPolarHBondContact O-CB 3.17Å; Y195-F199 WeakPolarHBondContact O-CD2 3.04Å; Y195-F199 PolarHBondContact O-N 2.83Å
196	N	83.5	Confident	75.6	Confident	60 Å²	60	62.7 Å²	62.7	32%	0.321	31%	0.31	S	S	.	.	H	α-helix	trans	-66.2	-38.8	179.3	-76.3	-35.7	0	0	0	111.8	H192 C193 T194 L198 V200	H192-N196 PolarHBondContact CD2-ND2 3.04Å; H192-N196 PolarHBondContact NE2-ND2 2.93Å; H192-N196 WeakPolarHBondContact O-CB 3.28Å; H192-N196 PolarHBondContact O-N 3.22Å; H192-N196 PolarHBondContact O-ND2 3.43Å; H192-N196 VanDerWaalsContact O-ND2 3.15Å; C193-N196 PolarHBondContact O-N 2.94Å; T194-N196 VanDerWaalsContact C-N 3.34Å; T194-N196 PolarHBondContact O-N 3.16Å; N196-L198 VanDerWaalsContact C-N 3.33Å; N196-L198 PolarHBondContact O-N 3.38Å; N196-V200 HydrophobicContact CB-CG2 3.77Å; N196-V200 WeakPolarHBondContact O-CB 3.47Å; N196-V200 WeakPolarHBondContact O-CG2 3.45Å; N196-V200 PolarHBondContact O-N 2.93Å
197	K	80.6	Confident	73.7	Confident	94 Å²	94	63.2 Å²	63.2	41%	0.409	32%	0.319	S	S	.	.	H	α-helix	trans	-58.3	-44.5	173.4	-70.3	172.4	-176.9	171.9	0	112	E165 C193 T194 Y195	E165-K197 IonicContact OE1-NZ 2.92Å; E165-K197 PolarHBondContact OE1-NZ 2.96Å; E165-K197 IonicContact OE2-NZ 3.68Å; C193-K197 WeakPolarHBondContact O-CG 3.35Å; C193-K197 PolarHBondContact O-N 2.89Å; T194-K197 WeakPolarHBondContact O-CB 3.5Å; T194-K197 PolarHBondContact O-N 3.47Å; Y195-K197 PolarHBondContact O-N 3.23Å
198	L	74.9	Confident	71.5	Confident	7 Å²	7	67.6 Å²	67.6	4%	0.037	35%	0.347	C	S	.	.	H	α-helix	trans	-73.3	-46.5	-178.9	-74.7	161	0	0	0	112.5	C161 L166 F169 T194 Y195 N196	C161-L198 HydrophobicContact CB-CD2 4.22Å; L166-L198 HydrophobicContact CD1-CD1 3.94Å; L166-L198 HydrophobicContact CD1-CD2 4.14Å; F169-L198 HydrophobicContact CG-CD1 4.46Å; T194-L198 HydrophobicContact CG2-CD1 3.85Å; T194-L198 WeakPolarHBondContact O-CG 3.32Å; T194-L198 PolarHBondContact O-N 3.38Å; Y195-L198 PolarHBondContact O-N 3.49Å; N196-L198 VanDerWaalsContact C-N 3.33Å; N196-L198 PolarHBondContact O-N 3.38Å
199	F	73.2	Confident	69.5	Low	23 Å²	23	67.9 Å²	67.9	10%	0.101	35%	0.352	C	S	.	.	H	α-helix	trans	-108.8	-13.9	-163.2	-57.5	-66.7	0	0	0	115.8	V125 F169 Y195 K201 M202	V125-F199 HydrophobicContact CB-CD1 4.38Å; V125-F199 HydrophobicContact CB-CE1 4.19Å; V125-F199 HydrophobicContact CB-CZ 4.36Å; V125-F199 HydrophobicContact CG1-CD1 3.75Å; V125-F199 HydrophobicContact CG1-CE1 3.21Å; V125-F199 HydrophobicContact CG1-CE2 4.3Å; V125-F199 HydrophobicContact CG1-CZ 3.53Å; V125-F199 HydrophobicContact CG2-CB 4.29Å; V125-F199 HydrophobicContact CG2-CD1 3.67Å; V125-F199 HydrophobicContact CG2-CD2 3.88Å; V125-F199 HydrophobicContact CG2-CE1 3.91Å; V125-F199 HydrophobicContact CG2-CE2 4.1Å; V125-F199 HydrophobicContact CG2-CG 3.67Å; V125-F199 HydrophobicContact CG2-CZ 4.12Å; F169-F199 HydrophobicContact CE2-CE2 4.39Å; F169-F199 AromaticContact CZ-CE2 3.87Å; F169-F199 HydrophobicContact CZ-CE2 3.87Å; Y195-F199 HydrophobicContact CD1-CD2 4.3Å; Y195-F199 AromaticContact CD2-CD2 3.21Å; Y195-F199 HydrophobicContact CD2-CD2 3.21Å; Y195-F199 AromaticContact CD2-CE2 3.55Å; Y195-F199 HydrophobicContact CD2-CE2 3.55Å; Y195-F199 HydrophobicContact CD2-CG 4.3Å; Y195-F199 HydrophobicContact CE1-CB 4.35Å; Y195-F199 HydrophobicContact CE1-CD2 4.42Å; Y195-F199 HydrophobicContact CE2-CB 4.45Å; Y195-F199 AromaticContact CE2-CD2 3.35Å; Y195-F199 HydrophobicContact CE2-CD2 3.35Å; Y195-F199 AromaticContact CE2-CE2 3.82Å; Y195-F199 HydrophobicContact CE2-CE2 3.82Å; Y195-F199 HydrophobicContact CE2-CG 4.09Å; Y195-F199 AromaticContact CG-CD2 3.71Å; Y195-F199 HydrophobicContact CG-CD2 3.71Å; Y195-F199 HydrophobicContact CG-CE2 4.34Å; Y195-F199 AromaticContact CZ-CD2 3.98Å; Y195-F199 WeakPolarHBondContact O-CB 3.17Å; Y195-F199 WeakPolarHBondContact O-CD2 3.04Å; Y195-F199 PolarHBondContact O-N 2.83Å; F199-K201 PolarHBondContact O-N 3.13Å; F199-K201 VanDerWaalsContact O-N 3.16Å; F199-M202 HydrophobicContact CB-CG 4.43Å; F199-M202 HydrophobicContact CD1-CE 3.51Å; F199-M202 HydrophobicContact CD1-CG 3.68Å; F199-M202 HydrophobicContact CD1-SD 3.7Å; F199-M202 HydrophobicContact CE1-CE 4.05Å; F199-M202 HydrophobicContact CE1-SD 4.09Å; F199-M202 HydrophobicContact CG-CE 4.46Å; F199-M202 WeakPolarHBondContact O-CB 3.44Å; F199-M202 PolarHBondContact O-N 2.99Å
200	V	66.9	Low	67.3	Low	91 Å²	91	68.7 Å²	68.7	55%	0.552	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-55.9	-37.3	176.3	164	0	0	0	0	111	N196	N196-V200 HydrophobicContact CB-CG2 3.77Å; N196-V200 WeakPolarHBondContact O-CB 3.47Å; N196-V200 WeakPolarHBondContact O-CG2 3.45Å; N196-V200 PolarHBondContact O-N 2.93Å
201	K	57.3	Low	65.3	Low	94 Å²	94	70.5 Å²	70.5	41%	0.409	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-88.1	-6.3	177.1	-75.2	-174.9	179.5	-176.6	0	114.2	P158 F199 K203 N204	P158-K201 HydrophobicContact CB-CB 4.04Å; P158-K201 HydrophobicContact CB-CD 3.39Å; P158-K201 HydrophobicContact CB-CG 4.4Å; P158-K201 HydrophobicContact CG-CB 3.25Å; P158-K201 HydrophobicContact CG-CD 3.41Å; P158-K201 VanDerWaalsContact CG-CD 3.41Å; P158-K201 HydrophobicContact CG-CG 3.96Å; P158-K201 PolarHBondContact O-NZ 3.34Å; F199-K201 PolarHBondContact O-N 3.13Å; F199-K201 VanDerWaalsContact O-N 3.16Å; K201-K203 PolarHBondContact O-N 3.31Å; K201-N204 PolarHBondContact O-N 3.5Å
202	M	55.7	Low	63.2	Low	26 Å²	26	78.3 Å²	78.3	13%	0.128	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-60.3	-26.5	171.4	-85.5	-136.4	-48	0	0	112.3	V125 K128 L129 F199 N204 W205	V125-M202 HydrophobicContact CB-CE 4.22Å; V125-M202 HydrophobicContact CG1-CE 3.77Å; V125-M202 HydrophobicContact CG2-CE 4.03Å; K128-M202 HydrophobicContact CB-CE 4.37Å; L129-M202 HydrophobicContact CD2-SD 3.94Å; L129-M202 HydrophobicContact CG-CE 4.47Å; L129-M202 HydrophobicContact CG-SD 4.46Å; F199-M202 HydrophobicContact CB-CG 4.43Å; F199-M202 HydrophobicContact CD1-CE 3.51Å; F199-M202 HydrophobicContact CD1-CG 3.68Å; F199-M202 HydrophobicContact CD1-SD 3.7Å; F199-M202 HydrophobicContact CE1-CE 4.05Å; F199-M202 HydrophobicContact CE1-SD 4.09Å; F199-M202 HydrophobicContact CG-CE 4.46Å; F199-M202 WeakPolarHBondContact O-CB 3.44Å; F199-M202 PolarHBondContact O-N 2.99Å; M202-N204 PolarHBondContact O-N 2.86Å; M202-N204 VanDerWaalsContact O-N 3.11Å; M202-W205 HydrophobicContact CB-CE3 4.41Å; M202-W205 HydrophobicContact CG-CE3 3.64Å; M202-W205 HydrophobicContact CG-CZ3 3.79Å; M202-W205 WeakPolarHBondContact O-CB 3.35Å; M202-W205 PolarHBondContact O-N 3.41Å; M202-W205 VanDerWaalsContact O-N 3.09Å; M202-W205 HydrophobicContact SD-CE3 3.92Å; M202-W205 HydrophobicContact SD-CZ3 3.84Å
203	K	55	Low	61.3	Low	183 Å²	183	77.5 Å²	77.5	80%	0.796	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-56.2	-25.6	171.5	-74.7	-174.1	177.4	178.7	0	112.6	K201	K201-K203 PolarHBondContact O-N 3.31Å
204	N	55.9	Low	59.3	Low	127 Å²	127	80.2 Å²	80.2	68%	0.679	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-103.4	9.2	-177.2	-58.4	-2	0	0	0	112.4	K201 M202 P206	K201-N204 PolarHBondContact O-N 3.5Å; M202-N204 PolarHBondContact O-N 2.86Å; M202-N204 VanDerWaalsContact O-N 3.11Å; N204-P206 WeakPolarHBondContact O-CD 3.4Å
205	W	55	Low	57.3	Low	49 Å²	49	83.5 Å²	83.5	19%	0.186	43%	0.427	C	S	.	.			trans	-65.3	109.6	179.9	-151.6	-52.3	0	0	0	108	M132 L151 L156 M202 C207	M132-W205 HydrophobicContact CE-CB 4.47Å; L151-W205 HydrophobicContact CD1-CH2 4.43Å; L151-W205 HydrophobicContact CD2-CH2 3.78Å; L151-W205 HydrophobicContact CD2-CZ2 4.07Å; L151-W205 HydrophobicContact CG-CH2 4.47Å; L156-W205 HydrophobicContact CB-CH2 3.32Å; L156-W205 HydrophobicContact CB-CZ2 3.09Å; L156-W205 HydrophobicContact CB-CZ3 4.24Å; L156-W205 HydrophobicContact CD1-CH2 4.39Å; L156-W205 HydrophobicContact CD1-CZ2 3.63Å; L156-W205 HydrophobicContact CD2-CZ2 3.53Å; L156-W205 VanDerWaalsContact CD2-NE1 3.27Å; L156-W205 HydrophobicContact CG-CH2 4.24Å; L156-W205 HydrophobicContact CG-CZ2 3.54Å; M202-W205 HydrophobicContact CB-CE3 4.41Å; M202-W205 HydrophobicContact CG-CE3 3.64Å; M202-W205 HydrophobicContact CG-CZ3 3.79Å; M202-W205 WeakPolarHBondContact O-CB 3.35Å; M202-W205 PolarHBondContact O-N 3.41Å; M202-W205 VanDerWaalsContact O-N 3.09Å; M202-W205 HydrophobicContact SD-CE3 3.92Å; M202-W205 HydrophobicContact SD-CZ3 3.84Å; W205-C207 PolarHBondContact O-N 3.27Å
206	P	49.3	Very low	55.3	Low	75 Å²	75	85 Å²	85	49%	0.487	44%	0.441	S	S	.	.			trans	-67.9	142.2	176.7	-6.8	24.2	0	0	0	105.6	N204 V208	N204-P206 WeakPolarHBondContact O-CD 3.4Å; P206-V208 HydrophobicContact CB-CB 3.66Å; P206-V208 HydrophobicContact CB-CG2 3.27Å; P206-V208 HydrophobicContact CG-CB 4.32Å; P206-V208 HydrophobicContact CG-CG2 4.19Å; P206-V208 PolarHBondContact O-N 3.46Å
207	C	48.1	Very low	53.7	Low	91 Å²	91	87.7 Å²	87.7	62%	0.615	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-56.5	2.5	169.8	-57.2	0	0	0	0	113.9	W205 G209 H210	W205-C207 PolarHBondContact O-N 3.27Å; C207-G209 PolarHBondContact O-N 2.91Å; C207-H210 PolarHBondContact O-N 2.93Å; C207-H210 VanDerWaalsContact O-N 3.14Å
208	V	42.7	Very low	52.2	Low	123 Å²	123	90.3 Å²	90.3	75%	0.745	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-52	-7.4	176.9	176.1	0	0	0	0	114.9	P206 H210	P206-V208 HydrophobicContact CB-CB 3.66Å; P206-V208 HydrophobicContact CB-CG2 3.27Å; P206-V208 HydrophobicContact CG-CB 4.32Å; P206-V208 HydrophobicContact CG-CG2 4.19Å; P206-V208 PolarHBondContact O-N 3.46Å; V208-H210 VanDerWaalsContact C-N 3.31Å; V208-H210 PolarHBondContact O-N 3.4Å
209	G	45.4	Very low	50.9	Low	13 Å²	13	94.2 Å²	94.2	13%	0.134	50%	0.497	C	S	.	.	G	3₁₀ helix	trans	-78.2	-3.8	168.8	0	0	0	0	0	115.8	C207 Q211 R212 L213	C207-G209 PolarHBondContact O-N 2.91Å; G209-Q211 PolarHBondContact O-N 3.48Å; G209-Q211 VanDerWaalsContact O-N 3.15Å; G209-R212 PolarHBondContact O-N 2.93Å; G209-L213 PolarHBondContact O-N 2.92Å; G209-L213 VanDerWaalsContact O-N 3.12Å
210	H	45.3	Very low	49.9	Very low	96 Å²	96	95.9 Å²	95.9	44%	0.444	51%	0.512	S	S	.	.	H	α-helix	trans	-52.2	-41.4	-176.1	-106.3	68.2	0	0	0	112.5	S133 N134 C207 V208 L214	S133-H210 PolarHBondContact OG-CE1 3.28Å; S133-H210 PolarHBondContact OG-NE2 2.94Å; N134-H210 PolarHBondContact ND2-O 3.02Å; C207-H210 PolarHBondContact O-N 2.93Å; C207-H210 VanDerWaalsContact O-N 3.14Å; V208-H210 VanDerWaalsContact C-N 3.31Å; V208-H210 PolarHBondContact O-N 3.4Å; H210-L214 VanDerWaalsContact O-CD1 3.24Å; H210-L214 WeakPolarHBondContact O-CD1 3.24Å; H210-L214 WeakPolarHBondContact O-CG 3.47Å
211	Q	47.1	Very low	49.3	Very low	165 Å²	165	99.2 Å²	99.2	77%	0.771	52%	0.519	S	S	*	.	H	α-helix	trans	-81	-37.7	-179.6	-78.6	-179	-10.1	0	0	113.9	G209 L214 S215	G209-Q211 PolarHBondContact O-N 3.48Å; G209-Q211 VanDerWaalsContact O-N 3.15Å; Q211-L214 PolarHBondContact O-N 3.31Å; Q211-S215 WeakPolarHBondContact O-CB 3.44Å; Q211-S215 PolarHBondContact O-N 3.44Å
212	R	44.9	Very low	49.4	Very low	164 Å²	164	96.6 Å²	96.6	62%	0.619	51%	0.509	S	S	*	.	H	α-helix	trans	-72.5	-36.7	-175	-141	-174.3	-76.7	-179.8	-5.3	111.9	G209 S215 C216	G209-R212 PolarHBondContact O-N 2.93Å; R212-S215 WeakPolarHBondContact CA-OG 3.38Å; R212-S215 PolarHBondContact O-N 3.01Å; R212-S215 PolarHBondContact O-OG 3.32Å; R212-C216 PolarHBondContact O-N 3.49Å
213	L	47.7	Very low	50	Low	42 Å²	42	98.4 Å²	98.4	22%	0.22	52%	0.52	C	S	.	.	H	α-helix	trans	-66.9	-38	173.1	-71.3	173.7	0	0	0	112.4	N134 F135 G209 S215	N134-L213 HydrophobicContact CB-CB 4.18Å; N134-L213 HydrophobicContact CB-CD1 3.77Å; F135-L213 HydrophobicContact CD2-CD1 4.27Å; F135-L213 HydrophobicContact CE2-CD1 3.92Å; F135-L213 HydrophobicContact CE2-CD2 4.5Å; G209-L213 PolarHBondContact O-N 2.92Å; G209-L213 VanDerWaalsContact O-N 3.12Å; L213-S215 VanDerWaalsContact C-N 3.3Å
214	L	46.1	Very low	50.6	Low	121 Å²	121	94.3 Å²	94.3	63%	0.634	51%	0.514	S	S	*	.	H	α-helix	trans	-67.8	-31.5	172.8	-72.6	169.3	0	0	0	112.2	H210 Q211 C216	H210-L214 VanDerWaalsContact O-CD1 3.24Å; H210-L214 WeakPolarHBondContact O-CD1 3.24Å; H210-L214 WeakPolarHBondContact O-CG 3.47Å; Q211-L214 PolarHBondContact O-N 3.31Å; L214-C216 VanDerWaalsContact C-N 3.27Å; L214-C216 PolarHBondContact O-N 3.35Å
215	S	43.8	Very low	51.2	Low	81 Å²	81	91.2 Å²	91.2	57%	0.566	50%	0.502	S	S	*	.	H	α-helix	trans	-72.2	-19.9	-178.1	73.4	0	0	0	0	113.6	Q211 R212 L213 P217	Q211-S215 WeakPolarHBondContact O-CB 3.44Å; Q211-S215 PolarHBondContact O-N 3.44Å; R212-S215 WeakPolarHBondContact CA-OG 3.38Å; R212-S215 PolarHBondContact O-N 3.01Å; R212-S215 PolarHBondContact O-OG 3.32Å; L213-S215 VanDerWaalsContact C-N 3.3Å; S215-P217 WeakPolarHBondContact O-CD 3.32Å
216	C	43.8	Very low	51.8	Low	61 Å²	61	90.4 Å²	90.4	41%	0.412	50%	0.5	S	S	.	.			trans	-73.9	103	163.6	-96.8	0	0	0	0	107.5	R212 L214 K218	R212-C216 PolarHBondContact O-N 3.49Å; L214-C216 VanDerWaalsContact C-N 3.27Å; L214-C216 PolarHBondContact O-N 3.35Å; C216-K218 PolarHBondContact O-N 3.19Å
217	P	48.4	Very low	52.6	Low	116 Å²	116	89.6 Å²	89.6	75%	0.753	49%	0.494	S	S	*	.			trans	-75.2	11.4	176.3	20.2	-3.6	0	0	0	110.9	S215 T219	S215-P217 WeakPolarHBondContact O-CD 3.32Å; P217-T219 PolarHBondContact O-N 3.43Å
218	K	49.1	Very low	53.6	Low	148 Å²	148	90.8 Å²	90.8	64%	0.643	49%	0.49	S	S	*	.			trans	-66.6	95.6	176	-68.7	-170.6	-179.3	-178.3	0	106.3	C216	C216-K218 PolarHBondContact O-N 3.19Å
219	T	48.8	Very low	54.8	Low	90 Å²	90	88 Å²	88	55%	0.552	47%	0.474	S	S	*	.			trans	-37.4	154.3	172.3	64.5	0	0	0	0	110	P217 K221	P217-T219 PolarHBondContact O-N 3.43Å; T219-K221 CarbonylContact O-C 3.54Å; T219-K221 PolarHBondContact O-N 2.91Å
220	S	50.8	Low	55.7	Low	58 Å²	58	89.4 Å²	89.4	41%	0.406	48%	0.477	S	S	.	.	S	Bend	trans	-56.9	14.8	172.3	60.3	0	0	0	0	115.5
221	K	55.9	Low	56.7	Low	160 Å²	160	86.7 Å²	86.7	70%	0.696	47%	0.466	S	S	*	.	S	Bend	trans	-98.9	123.4	169.1	-60.2	-178.4	179	177.2	0	107.3	T219 D223	T219-K221 CarbonylContact O-C 3.54Å; T219-K221 PolarHBondContact O-N 2.91Å; K221-D223 PolarHBondContact O-N 3.02Å
222	L	59.4	Low	57.6	Low	39 Å²	39	82.1 Å²	82.1	20%	0.204	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-48.2	134	165.2	-124.2	78	0	0	0	110.1	A142 I146 E226 V227 I230	A142-L222 HydrophobicContact CB-CD1 3.94Å; I146-L222 HydrophobicContact CD1-CD2 3.88Å; I146-L222 HydrophobicContact CD1-CG 4.49Å; L222-E226 HydrophobicContact CD2-CB 4.14Å; L222-E226 HydrophobicContact CG-CB 4.02Å; L222-V227 HydrophobicContact CB-CG2 3.83Å; L222-V227 HydrophobicContact CD2-CG2 3.93Å; L222-V227 HydrophobicContact CG-CG2 4.47Å; L222-I230 HydrophobicContact CD2-CD1 3.23Å; L222-I230 HydrophobicContact CD2-CG1 4.25Å
223	D	67.1	Low	58.6	Low	65 Å²	65	79.6 Å²	79.6	35%	0.348	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-65.3	150.7	175.2	-175.8	27.2	0	0	0	109.9	K221 S225 E226 V227	K221-D223 PolarHBondContact O-N 3.02Å; D223-S225 PolarHBondContact O-N 3.26Å; D223-S225 PolarHBondContact OD2-OG 3Å; D223-E226 HydrophobicContact CB-CG 4.14Å; D223-E226 PolarHBondContact N-OE2 3.44Å; D223-E226 WeakPolarHBondContact O-CB 3.44Å; D223-E226 PolarHBondContact O-N 2.94Å; D223-V227 WeakPolarHBondContact O-CG2 3.49Å; D223-V227 PolarHBondContact O-N 3.31Å
224	S	67.9	Low	59.4	Low	96 Å²	96	79.3 Å²	79.3	67%	0.671	44%	0.439	S	S	*	.	H	α-helix	trans	-55.3	-35.4	178.1	60.9	0	0	0	0	112.8	H228	S224-H228 PolarHBondContact O-N 2.93Å
225	S	69.5	Low	60.2	Low	62 Å²	62	75.5 Å²	75.5	43%	0.434	43%	0.429	S	S	.	.	H	α-helix	trans	-64.3	-45.6	173.9	64.8	0	0	0	0	111.7	D223 H228 V229	D223-S225 PolarHBondContact O-N 3.26Å; D223-S225 PolarHBondContact OD2-OG 3Å; S225-H228 WeakPolarHBondContact O-CB 3.48Å; S225-H228 PolarHBondContact O-N 2.95Å; S225-V229 WeakPolarHBondContact O-CG2 3.44Å; S225-V229 PolarHBondContact O-N 2.82Å
226	E	67.4	Low	61	Low	33 Å²	33	75.1 Å²	75.1	15%	0.154	42%	0.42	C	S	.	.	H	α-helix	trans	-64.5	-42.4	177.3	-64.1	175.5	140.7	0	0	111.3	I146 R150 L222 D223 H228 V229 I230	I146-E226 HydrophobicContact CD1-CB 4.09Å; R150-E226 IonicContact CZ-OE1 3.96Å; R150-E226 IonicContact CZ-OE2 2.76Å; R150-E226 IonicContact NE-OE1 3.87Å; R150-E226 PolarHBondContact NE-OE1 2.97Å; R150-E226 IonicContact NE-OE2 3.89Å; R150-E226 IonicContact NH2-OE1 2.8Å; R150-E226 PolarHBondContact NH2-OE1 3.22Å; R150-E226 IonicContact NH2-OE2 2.69Å; R150-E226 PolarHBondContact NH2-OE2 3.44Å; L222-E226 HydrophobicContact CD2-CB 4.14Å; L222-E226 HydrophobicContact CG-CB 4.02Å; D223-E226 HydrophobicContact CB-CG 4.14Å; D223-E226 PolarHBondContact N-OE2 3.44Å; D223-E226 WeakPolarHBondContact O-CB 3.44Å; D223-E226 PolarHBondContact O-N 2.94Å; E226-H228 VanDerWaalsContact C-N 3.26Å; E226-H228 PolarHBondContact O-N 3.3Å; E226-V229 PolarHBondContact O-N 3.44Å; E226-V229 VanDerWaalsContact O-N 3.16Å; E226-I230 WeakPolarHBondContact O-CG1 3.28Å; E226-I230 PolarHBondContact O-N 3.32Å
227	V	66	Low	61.8	Low	57 Å²	57	75.1 Å²	75.1	35%	0.345	41%	0.413	S	S	.	.	H	α-helix	trans	-57.9	-41.8	173.9	176.2	0	0	0	0	110.6	L222 D223 I230 N231	L222-V227 HydrophobicContact CB-CG2 3.83Å; L222-V227 HydrophobicContact CD2-CG2 3.93Å; L222-V227 HydrophobicContact CG-CG2 4.47Å; D223-V227 WeakPolarHBondContact O-CG2 3.49Å; D223-V227 PolarHBondContact O-N 3.31Å; V227-I230 PolarHBondContact O-N 3.11Å; V227-N231 WeakPolarHBondContact O-CB 3.26Å; V227-N231 PolarHBondContact O-N 2.97Å; V227-N231 PolarHBondContact O-ND2 2.96Å; V227-N231 PolarHBondContact O-OD1 2.92Å
228	H	67.8	Low	62.6	Low	116 Å²	116	75 Å²	75	54%	0.537	40%	0.398	S	S	.	.	H	α-helix	trans	-62.1	-43.9	176.7	-165.8	-75.7	0	0	0	111.8	S224 S225 E226 I230 N231 D232	S224-H228 PolarHBondContact O-N 2.93Å; S225-H228 WeakPolarHBondContact O-CB 3.48Å; S225-H228 PolarHBondContact O-N 2.95Å; E226-H228 VanDerWaalsContact C-N 3.26Å; E226-H228 PolarHBondContact O-N 3.3Å; H228-I230 PolarHBondContact O-N 3.25Å; H228-N231 PolarHBondContact O-N 3.43Å; H228-D232 IonicContact CE1-OD2 2.91Å; H228-D232 PolarHBondContact CE1-OD2 3.03Å; H228-D232 IonicContact ND1-OD2 3.04Å; H228-D232 PolarHBondContact ND1-OD2 3.26Å; H228-D232 PolarHBondContact O-N 3.47Å
229	V	67.9	Low	63.3	Low	66 Å²	66	78 Å²	78	40%	0.4	41%	0.405	S	S	.	.	H	α-helix	trans	-62.4	-42.6	177.6	175.4	0	0	0	0	111.6	S225 E226 N231 D232 R233	S225-V229 WeakPolarHBondContact O-CG2 3.44Å; S225-V229 PolarHBondContact O-N 2.82Å; E226-V229 PolarHBondContact O-N 3.44Å; E226-V229 VanDerWaalsContact O-N 3.16Å; V229-N231 VanDerWaalsContact C-N 3.33Å; V229-N231 PolarHBondContact O-N 3.45Å; V229-D232 PolarHBondContact O-N 3.29Å; V229-R233 WeakPolarHBondContact O-CB 3.34Å; V229-R233 WeakPolarHBondContact O-CG 3.43Å; V229-R233 PolarHBondContact O-N 2.87Å
230	I	64.5	Low	63.8	Low	41 Å²	41	75.5 Å²	75.5	21%	0.21	39%	0.388	C	S	.	.	H	α-helix	trans	-58	-49.5	173.5	-62.1	-179.8	0	0	0	110.6	P143 I146 L222 E226 V227 H228 D232 R233 S234	P143-I230 VanDerWaalsContact CD-CD1 3.44Å; P143-I230 HydrophobicContact CG-CD1 3.56Å; P143-I230 HydrophobicContact CG-CG1 3.73Å; I146-I230 HydrophobicContact CD1-CD1 3.46Å; I146-I230 VanDerWaalsContact CD1-CD1 3.46Å; I146-I230 HydrophobicContact CD1-CG1 3.27Å; I146-I230 HydrophobicContact CG1-CG1 4.44Å; L222-I230 HydrophobicContact CD2-CD1 3.23Å; L222-I230 HydrophobicContact CD2-CG1 4.25Å; E226-I230 WeakPolarHBondContact O-CG1 3.28Å; E226-I230 PolarHBondContact O-N 3.32Å; V227-I230 PolarHBondContact O-N 3.11Å; H228-I230 PolarHBondContact O-N 3.25Å; I230-D232 VanDerWaalsContact C-N 3.26Å; I230-D232 PolarHBondContact O-N 3.02Å; I230-R233 PolarHBondContact O-N 3.14Å; I230-S234 WeakPolarHBondContact O-CB 3.37Å; I230-S234 PolarHBondContact O-N 3.05Å; I230-S234 PolarHBondContact O-OG 2.85Å
231	N	65.9	Low	64.3	Low	40 Å²	40	75.4 Å²	75.4	21%	0.214	38%	0.381	C	S	.	.	H	α-helix	trans	-63.9	-36	-172.9	-73.5	-10.5	0	0	0	111.5	V227 H228 V229 F237	V227-N231 WeakPolarHBondContact O-CB 3.26Å; V227-N231 PolarHBondContact O-N 2.97Å; V227-N231 PolarHBondContact O-ND2 2.96Å; V227-N231 PolarHBondContact O-OD1 2.92Å; H228-N231 PolarHBondContact O-N 3.43Å; V229-N231 VanDerWaalsContact C-N 3.33Å; V229-N231 PolarHBondContact O-N 3.45Å; N231-F237 HydrophobicContact CB-CD1 3.41Å; N231-F237 VanDerWaalsContact CB-CD1 3.41Å; N231-F237 HydrophobicContact CB-CE1 3.35Å; N231-F237 HydrophobicContact CB-CG 4.1Å; N231-F237 HydrophobicContact CB-CZ 3.99Å; N231-F237 WeakPolarHBondContact ND2-CE1 3.47Å; N231-F237 VanDerWaalsContact ND2-CZ 3.32Å; N231-F237 WeakPolarHBondContact ND2-CZ 3.33Å; N231-F237 WeakPolarHBondContact O-CD1 3.34Å; N231-F237 WeakPolarHBondContact OD1-CD2 3.38Å; N231-F237 WeakPolarHBondContact OD1-CE1 3.33Å; N231-F237 WeakPolarHBondContact OD1-CE2 3.31Å; N231-F237 WeakPolarHBondContact OD1-CZ 3.28Å
232	D	67.4	Low	64.4	Low	68 Å²	68	75.5 Å²	75.5	36%	0.364	38%	0.376	S	S	.	.	H	α-helix	trans	-74.2	-41.1	174.6	-79.7	-19.9	0	0	0	112.1	H228 V229 I230 R238	H228-D232 IonicContact CE1-OD2 2.91Å; H228-D232 PolarHBondContact CE1-OD2 3.03Å; H228-D232 IonicContact ND1-OD2 3.04Å; H228-D232 PolarHBondContact ND1-OD2 3.26Å; H228-D232 PolarHBondContact O-N 3.47Å; V229-D232 PolarHBondContact O-N 3.29Å; I230-D232 VanDerWaalsContact C-N 3.26Å; I230-D232 PolarHBondContact O-N 3.02Å; D232-R238 PolarHBondContact O-NE 3.5Å; D232-R238 PolarHBondContact O-NH2 3.45Å
233	R	65.2	Low	64.1	Low	111 Å²	111	83.7 Å²	83.7	42%	0.419	41%	0.405	S	S	.	.	H	α-helix	trans	-72.8	-41	-177.9	-75	-175.4	170.1	-148.5	-5.9	113.4	D145 N167 V229 I230 G235	D145-R233 IonicContact OD1-NH1 3.72Å; D145-R233 PolarHBondContact OD1-NH1 3.46Å; D145-R233 VanDerWaalsContact OD2-CD 3.25Å; D145-R233 WeakPolarHBondContact OD2-CD 3.25Å; D145-R233 IonicContact OD2-CZ 3.61Å; D145-R233 IonicContact OD2-NE 3.78Å; D145-R233 IonicContact OD2-NH1 2.76Å; D145-R233 PolarHBondContact OD2-NH1 3.22Å; N167-R233 PolarHBondContact ND2-NH2 2.82Å; N167-R233 PolarHBondContact OD1-NH1 2.92Å; N167-R233 PolarHBondContact OD1-NH2 3.19Å; N167-R233 VanDerWaalsContact OD1-NH2 3.15Å; V229-R233 WeakPolarHBondContact O-CB 3.34Å; V229-R233 WeakPolarHBondContact O-CG 3.43Å; V229-R233 PolarHBondContact O-N 2.87Å; I230-R233 PolarHBondContact O-N 3.14Å; R233-G235 PolarHBondContact O-N 2.84Å; R233-G235 VanDerWaalsContact O-N 3.08Å
234	S	64.8	Low	63.4	Low	37 Å²	37	86 Å²	86	26%	0.259	42%	0.423	S	S	.	.			trans	-73	105.8	-176.6	56.7	0	0	0	0	111.6	I230 L236 F237 R238	I230-S234 WeakPolarHBondContact O-CB 3.37Å; I230-S234 PolarHBondContact O-N 3.05Å; I230-S234 PolarHBondContact O-OG 2.85Å; S234-L236 PolarHBondContact O-N 2.79Å; S234-L236 VanDerWaalsContact O-N 3.13Å; S234-F237 WeakPolarHBondContact O-CB 3.37Å; S234-F237 PolarHBondContact O-N 3.41Å; S234-F237 WeakPolarHBondContact OG-CB 3.41Å; S234-R238 PolarHBondContact O-N 3.34Å
235	G	62.8	Low	62.7	Low	41 Å²	41	87.7 Å²	87.7	42%	0.423	43%	0.43	S	S	.	.	H	α-helix	trans	-56.6	-31.2	178.9	0	0	0	0	0	113.3	R233 R238 R239	R233-G235 PolarHBondContact O-N 2.84Å; R233-G235 VanDerWaalsContact O-N 3.08Å; G235-R238 PolarHBondContact O-N 2.94Å; G235-R239 WeakPolarHBondContact O-CB 3.36Å; G235-R239 VanDerWaalsContact O-CG 3.26Å; G235-R239 WeakPolarHBondContact O-CG 3.12Å; G235-R239 PolarHBondContact O-N 3.38Å
236	L	60.5	Low	61.7	Low	73 Å²	73	91.9 Å²	91.9	38%	0.382	45%	0.446	S	S	.	.	H	α-helix	trans	-64.6	-42.7	172.1	-72.8	167.6	0	0	0	112.1	Y96 S234 R239 L240	Y96-L236 WeakPolarHBondContact OH-CD1 3.3Å; S234-L236 PolarHBondContact O-N 2.79Å; S234-L236 VanDerWaalsContact O-N 3.13Å; L236-R239 PolarHBondContact O-N 3.02Å; L236-L240 WeakPolarHBondContact O-CB 3.31Å; L236-L240 VanDerWaalsContact O-CG 3.28Å; L236-L240 WeakPolarHBondContact O-CG 3.31Å; L236-L240 PolarHBondContact O-N 3.07Å
237	F	61.7	Low	60.6	Low	61 Å²	61	95.6 Å²	95.6	27%	0.268	47%	0.473	S	S	.	.	H	α-helix	trans	-66.6	-41.4	177.3	-168.8	-83.8	0	0	0	111	N231 S234 R239 L240 F241	N231-F237 HydrophobicContact CB-CD1 3.41Å; N231-F237 VanDerWaalsContact CB-CD1 3.41Å; N231-F237 HydrophobicContact CB-CE1 3.35Å; N231-F237 HydrophobicContact CB-CG 4.1Å; N231-F237 HydrophobicContact CB-CZ 3.99Å; N231-F237 WeakPolarHBondContact ND2-CE1 3.47Å; N231-F237 VanDerWaalsContact ND2-CZ 3.32Å; N231-F237 WeakPolarHBondContact ND2-CZ 3.33Å; N231-F237 WeakPolarHBondContact O-CD1 3.34Å; N231-F237 WeakPolarHBondContact OD1-CD2 3.38Å; N231-F237 WeakPolarHBondContact OD1-CE1 3.33Å; N231-F237 WeakPolarHBondContact OD1-CE2 3.31Å; N231-F237 WeakPolarHBondContact OD1-CZ 3.28Å; S234-F237 WeakPolarHBondContact O-CB 3.37Å; S234-F237 PolarHBondContact O-N 3.41Å; S234-F237 WeakPolarHBondContact OG-CB 3.41Å; F237-R239 VanDerWaalsContact C-N 3.29Å; F237-R239 PolarHBondContact O-N 3.11Å; F237-L240 PolarHBondContact O-N 3.28Å; F237-F241 HydrophobicContact CB-CD2 4.4Å; F237-F241 HydrophobicContact CD1-CB 3.83Å; F237-F241 HydrophobicContact CD1-CD2 4.12Å; F237-F241 HydrophobicContact CD1-CG 4.4Å; F237-F241 HydrophobicContact CD2-CB 4.36Å; F237-F241 AromaticContact CD2-CD2 3.21Å; F237-F241 HydrophobicContact CD2-CD2 3.21Å; F237-F241 AromaticContact CD2-CE2 3.7Å; F237-F241 HydrophobicContact CD2-CE2 3.7Å; F237-F241 HydrophobicContact CD2-CG 4.04Å; F237-F241 HydrophobicContact CE1-CB 3.42Å; F237-F241 VanDerWaalsContact CE1-CB 3.42Å; F237-F241 HydrophobicContact CE1-CD2 4.13Å; F237-F241 HydrophobicContact CE1-CG 4.05Å; F237-F241 HydrophobicContact CE2-CB 4Å; F237-F241 HydrophobicContact CE2-CD1 4.47Å; F237-F241 AromaticContact CE2-CD2 3.23Å; F237-F241 HydrophobicContact CE2-CD2 3.23Å; F237-F241 AromaticContact CE2-CE2 3.72Å; F237-F241 HydrophobicContact CE2-CE2 3.72Å; F237-F241 AromaticContact CE2-CG 3.65Å; F237-F241 HydrophobicContact CE2-CG 3.65Å; F237-F241 HydrophobicContact CG-CB 4.27Å; F237-F241 AromaticContact CG-CD2 3.67Å; F237-F241 HydrophobicContact CG-CD2 3.67Å; F237-F241 HydrophobicContact CG-CE2 4.49Å; F237-F241 HydrophobicContact CG-CG 4.38Å; F237-F241 HydrophobicContact CZ-CB 3.51Å; F237-F241 HydrophobicContact CZ-CD1 4.48Å; F237-F241 AromaticContact CZ-CD2 3.71Å; F237-F241 HydrophobicContact CZ-CD2 3.71Å; F237-F241 AromaticContact CZ-CG 3.65Å; F237-F241 HydrophobicContact CZ-CG 3.65Å; F237-F241 WeakPolarHBondContact O-CA 3.1Å; F237-F241 WeakPolarHBondContact O-CB 3.15Å; F237-F241 PolarHBondContact O-N 3.12Å
238	R	63.9	Low	59.7	Low	112 Å²	112	100 Å²	100	42%	0.423	49%	0.493	S	S	.	.	H	α-helix	trans	-58.7	-41.1	172.4	-85.4	-167	-91.4	-173.6	-8.1	112.3	D232 S234 G235 R242	D232-R238 PolarHBondContact O-NE 3.5Å; D232-R238 PolarHBondContact O-NH2 3.45Å; S234-R238 PolarHBondContact O-N 3.34Å; G235-R238 PolarHBondContact O-N 2.94Å; R238-R242 WeakPolarHBondContact O-CB 3.19Å; R238-R242 PolarHBondContact O-N 2.87Å
239	R	63.9	Low	58.7	Low	213 Å²	213	102.1 Å²	102.1	80%	0.804	51%	0.509	S	S	*	.	H	α-helix	trans	-66.5	-38.1	176.8	-74.7	174.1	-175.9	-172.1	1.2	112.9	G235 L236 F237	G235-R239 WeakPolarHBondContact O-CB 3.36Å; G235-R239 VanDerWaalsContact O-CG 3.26Å; G235-R239 WeakPolarHBondContact O-CG 3.12Å; G235-R239 PolarHBondContact O-N 3.38Å; L236-R239 PolarHBondContact O-N 3.02Å; F237-R239 VanDerWaalsContact C-N 3.29Å; F237-R239 PolarHBondContact O-N 3.11Å
240	L	59.9	Low	57.5	Low	36 Å²	36	108.1 Å²	108.1	19%	0.188	55%	0.545	C	S	.	.	H	α-helix	trans	-87.7	-42.8	-174.9	-66.7	172.5	0	0	0	112.5	K85 A88 L236 F237	K85-L240 WeakPolarHBondContact CD-O 3.48Å; K85-L240 WeakPolarHBondContact CE-O 3.39Å; K85-L240 VanDerWaalsContact CG-O 3.28Å; K85-L240 WeakPolarHBondContact CG-O 3.43Å; K85-L240 PolarHBondContact NZ-O 2.88Å; A88-L240 HydrophobicContact CB-CD2 3.85Å; L236-L240 WeakPolarHBondContact O-CB 3.31Å; L236-L240 VanDerWaalsContact O-CG 3.28Å; L236-L240 WeakPolarHBondContact O-CG 3.31Å; L236-L240 PolarHBondContact O-N 3.07Å; F237-L240 PolarHBondContact O-N 3.28Å
241	F	60.7	Low	57.2	Low	57 Å²	57	111.5 Å²	111.5	25%	0.25	56%	0.562	C	S	.	*	H	α-helix	trans	-115.1	-17.8	-164.7	-62.9	-76.8	0	0	0	115.2	F82 K85 F237 R243	F82-F241 HydrophobicContact CD2-CE1 4.18Å; F82-F241 HydrophobicContact CE2-CD1 4.19Å; F82-F241 AromaticContact CE2-CE1 3.7Å; F82-F241 HydrophobicContact CE2-CE1 3.7Å; F82-F241 HydrophobicContact CZ-CE1 4.49Å; K85-F241 HydrophobicContact CB-CE1 4.34Å; F237-F241 HydrophobicContact CB-CD2 4.4Å; F237-F241 HydrophobicContact CD1-CB 3.83Å; F237-F241 HydrophobicContact CD1-CD2 4.12Å; F237-F241 HydrophobicContact CD1-CG 4.4Å; F237-F241 HydrophobicContact CD2-CB 4.36Å; F237-F241 AromaticContact CD2-CD2 3.21Å; F237-F241 HydrophobicContact CD2-CD2 3.21Å; F237-F241 AromaticContact CD2-CE2 3.7Å; F237-F241 HydrophobicContact CD2-CE2 3.7Å; F237-F241 HydrophobicContact CD2-CG 4.04Å; F237-F241 HydrophobicContact CE1-CB 3.42Å; F237-F241 VanDerWaalsContact CE1-CB 3.42Å; F237-F241 HydrophobicContact CE1-CD2 4.13Å; F237-F241 HydrophobicContact CE1-CG 4.05Å; F237-F241 HydrophobicContact CE2-CB 4Å; F237-F241 HydrophobicContact CE2-CD1 4.47Å; F237-F241 AromaticContact CE2-CD2 3.23Å; F237-F241 HydrophobicContact CE2-CD2 3.23Å; F237-F241 AromaticContact CE2-CE2 3.72Å; F237-F241 HydrophobicContact CE2-CE2 3.72Å; F237-F241 AromaticContact CE2-CG 3.65Å; F237-F241 HydrophobicContact CE2-CG 3.65Å; F237-F241 HydrophobicContact CG-CB 4.27Å; F237-F241 AromaticContact CG-CD2 3.67Å; F237-F241 HydrophobicContact CG-CD2 3.67Å; F237-F241 HydrophobicContact CG-CE2 4.49Å; F237-F241 HydrophobicContact CG-CG 4.38Å; F237-F241 HydrophobicContact CZ-CB 3.51Å; F237-F241 HydrophobicContact CZ-CD1 4.48Å; F237-F241 AromaticContact CZ-CD2 3.71Å; F237-F241 HydrophobicContact CZ-CD2 3.71Å; F237-F241 AromaticContact CZ-CG 3.65Å; F237-F241 HydrophobicContact CZ-CG 3.65Å; F237-F241 WeakPolarHBondContact O-CA 3.1Å; F237-F241 WeakPolarHBondContact O-CB 3.15Å; F237-F241 PolarHBondContact O-N 3.12Å; F241-R243 PolarHBondContact O-N 2.89Å; F241-R243 VanDerWaalsContact O-N 3.07Å
242	R	58.9	Low	56.7	Low	161 Å²	161	115.2 Å²	115.2	61%	0.608	58%	0.58	S	S	*	*			trans	-60.9	120.6	176.3	-155	177.7	-149.6	-165	3	108.3	R238	R238-R242 WeakPolarHBondContact O-CB 3.19Å; R238-R242 PolarHBondContact O-N 2.87Å
243	R	51.8	Low	56.1	Low	212 Å²	212	117.8 Å²	117.8	80%	0.8	59%	0.592	S	S	*	*			trans	-64	132.4	171.5	-68.3	-175.2	179.8	-171.7	0.6	106.4	F241 T245	F241-R243 PolarHBondContact O-N 2.89Å; F241-R243 VanDerWaalsContact O-N 3.07Å; R243-T245 VanDerWaalsContact C-N 3.34Å; R243-T245 PolarHBondContact O-N 3.03Å
244	P	53.8	Low	55.6	Low	114 Å²	114	118.2 Å²	118.2	74%	0.74	60%	0.602	S	S	*	*			trans	-57.9	110.9	157.6	24.9	-28.4	0	0	0	104.9	L246	P244-L246 VanDerWaalsContact C-N 3.28Å; P244-L246 PolarHBondContact O-N 3.07Å
245	T	52.4	Low	55	Low	131 Å²	131	123.3 Å²	123.3	80%	0.804	62%	0.624	S	S	*	*			trans	-59.1	104.4	164.8	44	0	0	0	0	104.4	R243	R243-T245 VanDerWaalsContact C-N 3.34Å; R243-T245 PolarHBondContact O-N 3.03Å
246	L	47.9	Very low	54.5	Low	149 Å²	149	128.8 Å²	128.8	78%	0.78	64%	0.637	S	S	*	*			trans	-51.3	130.4	165.5	-82.4	158.8	0	0	0	105.7	P244 I248	P244-L246 VanDerWaalsContact C-N 3.28Å; P244-L246 PolarHBondContact O-N 3.07Å; L246-I248 PolarHBondContact O-N 3.13Å
247	P	44.8	Very low	54.1	Low	111 Å²	111	132.8 Å²	132.8	72%	0.721	66%	0.655	S	S	*	*			trans	-54.2	119.1	173.3	23.4	-31.2	0	0	0	106.5	N249	P247-N249 PolarHBondContact O-N 3.01Å
248	I	46.9	Very low	53.5	Low	149 Å²	149	138.3 Å²	138.3	76%	0.764	69%	0.685	S	S	*	*			trans	-67.8	98.6	167.2	-57.1	173	0	0	0	103.2	L246 V250	L246-I248 PolarHBondContact O-N 3.13Å; I248-V250 VanDerWaalsContact C-N 3.28Å; I248-V250 HydrophobicContact CG2-CG2 3.68Å; I248-V250 PolarHBondContact O-N 3.05Å
249	N	46.1	Very low	52.6	Low	161 Å²	161	140.5 Å²	140.5	86%	0.861	71%	0.707	S	S	*	*			trans	-62.8	101.5	160.7	-104.5	-27.2	0	0	0	105.2	P247	P247-N249 PolarHBondContact O-N 3.01Å
250	V	44.7	Very low	51.6	Low	192 Å²	192	133.9 Å²	133.9	100%	1.164	70%	0.698	S	S	*	*			trans	-92.7	0	156.5	-177.1	0	0	0	0	106.4	I248	I248-V250 VanDerWaalsContact C-N 3.28Å; I248-V250 HydrophobicContact CG2-CG2 3.68Å; I248-V250 PolarHBondContact O-N 3.05Å

Retrieved 250 of 250 residues in 463.4 ms (Link to these results)

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