A0A096NG48_PAPAN Loading...

Homeobox-containing protein 1

Binds directly to 5'-TTAGGG-3' repeats in telomeric DNA. Associates with the telomerase complex at sites of active telomere processing and positively regulates telomere elongation. Important for TERT binding to chromatin, indicating a role in recruitment of the telomerase complex to telomeres. Also plays a role in the alternative lengthening of telomeres (ALT) pathway in telomerase-negative cells where it promotes formation and/or maintenance of ALT-associated promyelocytic leukemia bodies (APBs). Enhances formation of telomere C-circles in ALT cells, suggesting a possible role in telomere recombination. Might also be involved in the DNA damage response at telomeres.

AlphaFold DB (E5RGZ2), UniProt , Accession A0A096NG48, Species PAPAN (Papio anubis, Olive baboon), Gene HMBOX1, Length 386 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	41.5	Very low	230 Å²	230	149.7 Å²	149.7	100%	1.133	82%	0.816	S	S	*	*				0	116.3	0	-48.4	-170.3	-159.9	0	0	105.1
2	L	34.3	Very low	42.1	Very low	174 Å²	174	147.4 Å²	147.4	91%	0.911	81%	0.811	S	S	*	*				53.3	122.4	70.3	-58.6	175.7	0	0	0	109.9
3	S	36.6	Very low	41.9	Very low	100 Å²	100	151.1 Å²	151.1	70%	0.699	82%	0.822	S	S	*	*			cis	-146.3	131.3	17.5	48.7	0	0	0	0	110.2
4	S	36.5	Very low	42	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	80%	0.803	S	S	*	*				72	94.2	83.9	-155	0	0	0	0	114.4
5	F	38	Very low	42.3	Very low	203 Å²	203	147.1 Å²	147.1	89%	0.89	80%	0.8	S	S	*	*			trans	-108.8	113.7	154.9	-80.5	-81.6	0	0	0	107.2
6	P	47.8	Very low	42.3	Very low	101 Å²	101	152.4 Å²	152.4	66%	0.656	81%	0.807	S	S	*	*			trans	-79.9	131.1	-177.7	31.2	-33.4	0	0	0	111.3	V8	P6-V8 HydrophobicContact CB-CG2 3.94Å; P6-V8 HydrophobicContact CG-CG2 4.31Å; P6-V8 PolarHBondContact O-N 2.89Å; P6-V8 VanDerWaalsContact O-N 3.08Å
7	V	49.6	Very low	42.5	Very low	140 Å²	140	151.9 Å²	151.9	85%	0.848	81%	0.811	S	S	*	*			trans	-69.4	95.9	166.9	176.8	0	0	0	0	108.4
8	V	46.3	Very low	42.9	Very low	102 Å²	102	149.8 Å²	149.8	62%	0.618	80%	0.8	S	S	*	*			trans	-153.7	80.2	168.6	-108.1	0	0	0	0	110.3	P6	P6-V8 HydrophobicContact CB-CG2 3.94Å; P6-V8 HydrophobicContact CG-CG2 4.31Å; P6-V8 PolarHBondContact O-N 2.89Å; P6-V8 VanDerWaalsContact O-N 3.08Å
9	L	42	Very low	43.3	Very low	159 Å²	159	150.8 Å²	150.8	83%	0.832	80%	0.8	S	S	*	*	S	Bend	trans	-151.8	33.1	165	-119.8	169	0	0	0	112
10	L	42	Very low	44.2	Very low	169 Å²	169	148.8 Å²	148.8	89%	0.885	80%	0.795	S	S	*	*	S	Bend	trans	-121	9	175.9	-105.4	156.7	0	0	0	112.4
11	E	47	Very low	45.5	Very low	162 Å²	162	150.6 Å²	150.6	76%	0.757	79%	0.791	S	S	*	*	S	Bend	trans	-137.7	56.7	-169.4	-161.2	171.1	-144	0	0	112.1
12	T	48.9	Very low	47.8	Very low	122 Å²	122	145.1 Å²	145.1	75%	0.748	76%	0.761	S	S	*	*	S	Bend	trans	-153.6	23.9	167.3	31.6	0	0	0	0	114
13	M	39.1	Very low	50.4	Low	195 Å²	195	140.5 Å²	140.5	96%	0.961	74%	0.74	S	S	*	*	S	Bend	trans	-108.9	26.2	174.1	-71.5	-129	70.4	0	0	113.7
14	S	43.2	Very low	52.8	Low	79 Å²	79	142.9 Å²	142.9	55%	0.552	74%	0.743	S	S	*	*	S	Bend	trans	-113.6	5.4	-171.8	55.6	0	0	0	0	116.1
15	H	46.5	Very low	55.5	Low	163 Å²	163	145.3 Å²	145.3	76%	0.755	74%	0.743	S	S	*	*	S	Bend	trans	-134	45.1	-173	-80.3	-63	0	0	0	115.8
16	Y	42.9	Very low	58	Low	233 Å²	233	140 Å²	140	91%	0.914	72%	0.721	S	S	*	*			trans	-138.5	52.2	161.4	-76.1	-71	0	0	0	112.6
17	T	45.3	Very low	60	Low	144 Å²	144	138.6 Å²	138.6	88%	0.883	71%	0.707	S	S	*	*			trans	-98.9	64.9	157	58.3	0	0	0	0	109
18	D	49.8	Very low	62.1	Low	113 Å²	113	134.5 Å²	134.5	60%	0.604	68%	0.68	S	S	*	*			trans	-122.6	119.6	169.4	-151.7	2.1	0	0	0	107.4	R21	D18-R21 VanDerWaalsContact OD2-CD 3.31Å; D18-R21 WeakPolarHBondContact OD2-CD 3.27Å
19	E	49.5	Very low	64.4	Low	170 Å²	170	133.9 Å²	133.9	79%	0.794	67%	0.673	S	S	*	*			trans	-55.8	151.6	176.2	-164.4	169.2	-163.5	0	0	109.1	R21	E19-R21 WeakPolarHBondContact O-CG 3.47Å; E19-R21 PolarHBondContact O-N 2.81Å
20	P	62.8	Low	66.9	Low	109 Å²	109	130.3 Å²	130.3	71%	0.708	65%	0.654	S	S	*	*			trans	-60.4	96.9	179.7	23.7	-34.3	0	0	0	110.8	F22	P20-F22 PolarHBondContact O-N 2.95Å
21	R	71.4	Confident	69.3	Low	188 Å²	188	126.6 Å²	126.6	71%	0.709	63%	0.632	S	S	*	*	S	Bend	trans	-60.1	-6.4	-176.1	-63.6	-175.9	68.9	-170.3	4.8	114.4	D18 E19	D18-R21 VanDerWaalsContact OD2-CD 3.31Å; D18-R21 WeakPolarHBondContact OD2-CD 3.27Å; E19-R21 WeakPolarHBondContact O-CG 3.47Å; E19-R21 PolarHBondContact O-N 2.81Å
22	F	84.2	Confident	71.5	Confident	114 Å²	114	125 Å²	125	50%	0.5	62%	0.62	S	S	.	*	S	Bend	trans	-129.2	133.5	-179.5	-54.9	-71.1	0	0	0	109.4	P20 Q26 I27	P20-F22 PolarHBondContact O-N 2.95Å; F22-Q26 HydrophobicContact CB-CB 4.2Å; F22-I27 HydrophobicContact CB-CD1 4.3Å; F22-I27 HydrophobicContact CB-CG1 3.88Å
23	T	89.6	Confident	73.7	Confident	77 Å²	77	122 Å²	122	47%	0.472	60%	0.599	S	S	.	*			trans	-65	159.6	173.8	67.9	0	0	0	0	110.9	E25 Q26 I27	T23-E25 PolarHBondContact O-N 3.27Å; T23-Q26 PolarHBondContact O-N 2.83Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.04Å; T23-Q26 PolarHBondContact OG1-N 2.94Å; T23-Q26 PolarHBondContact OG1-OE1 3.07Å; T23-I27 WeakPolarHBondContact O-CG1 3.36Å; T23-I27 PolarHBondContact O-N 3.4Å
24	I	86.9	Confident	76.3	Confident	151 Å²	151	121.8 Å²	121.8	77%	0.774	59%	0.587	S	S	*	*	H	α-helix	trans	-55.1	-37.5	175.8	-59.1	173.7	0	0	0	110.8	I27 D28	I24-I27 PolarHBondContact O-N 2.78Å; I24-D28 WeakPolarHBondContact O-CB 3.27Å; I24-D28 PolarHBondContact O-N 3.29Å
25	E	91.9	Very high	78.7	Confident	157 Å²	157	125.9 Å²	125.9	73%	0.734	59%	0.59	S	S	*	*	H	α-helix	trans	-66.4	-41.4	176.9	-61.8	-178.8	-179.6	0	0	112.9	T23 I27 D28 L29	T23-E25 PolarHBondContact O-N 3.27Å; E25-I27 VanDerWaalsContact C-N 3.35Å; E25-D28 PolarHBondContact O-N 2.83Å; E25-L29 WeakPolarHBondContact O-CB 3.26Å; E25-L29 PolarHBondContact O-N 2.63Å
26	Q	90.9	Very high	81	Confident	92 Å²	92	123.1 Å²	123.1	43%	0.43	59%	0.585	S	S	.	*	H	α-helix	trans	-65.8	-39	175.8	-73.2	167.1	-31.9	0	0	111.4	F22 T23 L30	F22-Q26 HydrophobicContact CB-CB 4.2Å; T23-Q26 PolarHBondContact O-N 2.83Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.04Å; T23-Q26 PolarHBondContact OG1-N 2.94Å; T23-Q26 PolarHBondContact OG1-OE1 3.07Å; Q26-L30 WeakPolarHBondContact O-CG 3.26Å; Q26-L30 PolarHBondContact O-N 3.05Å; Q26-L30 VanDerWaalsContact O-N 3.12Å
27	I	90.9	Very high	83.3	Confident	72 Å²	72	114.8 Å²	114.8	37%	0.369	57%	0.57	S	S	.	*	H	α-helix	trans	-66.4	-45.7	175.7	-65.5	170.1	0	0	0	110.6	F22 T23 I24 E25 L29 L30 Q31	F22-I27 HydrophobicContact CB-CD1 4.3Å; F22-I27 HydrophobicContact CB-CG1 3.88Å; T23-I27 WeakPolarHBondContact O-CG1 3.36Å; T23-I27 PolarHBondContact O-N 3.4Å; I24-I27 PolarHBondContact O-N 2.78Å; E25-I27 VanDerWaalsContact C-N 3.35Å; I27-L29 PolarHBondContact O-N 3.14Å; I27-L30 PolarHBondContact O-N 2.94Å; I27-Q31 WeakPolarHBondContact O-CG 3.49Å; I27-Q31 PolarHBondContact O-N 3.49Å
28	D	93	Very high	85.6	Confident	54 Å²	54	110.7 Å²	110.7	29%	0.289	54%	0.541	S	S	.	.	H	α-helix	trans	-64.1	-37.9	177.4	174.7	71.8	0	0	0	112.5	I24 E25 Q31 R32	I24-D28 WeakPolarHBondContact O-CB 3.27Å; I24-D28 PolarHBondContact O-N 3.29Å; E25-D28 PolarHBondContact O-N 2.83Å; D28-Q31 PolarHBondContact O-N 2.9Å; D28-R32 PolarHBondContact O-N 3Å; D28-R32 IonicContact OD2-CZ 3.12Å; D28-R32 IonicContact OD2-NE 2.71Å; D28-R32 PolarHBondContact OD2-NE 2.76Å; D28-R32 IonicContact OD2-NH2 2.69Å; D28-R32 PolarHBondContact OD2-NH2 2.74Å
29	L	95	Very high	87.8	Confident	89 Å²	89	108.6 Å²	108.6	47%	0.466	53%	0.533	S	S	.	.	H	α-helix	trans	-60.3	-46.2	173.2	-179.5	62.8	0	0	0	111.7	E25 I27 Q31 R32 L33	E25-L29 WeakPolarHBondContact O-CB 3.26Å; E25-L29 PolarHBondContact O-N 2.63Å; I27-L29 PolarHBondContact O-N 3.14Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 3Å; L29-R32 PolarHBondContact O-N 3.42Å; L29-L33 WeakPolarHBondContact O-CG 3.48Å; L29-L33 PolarHBondContact O-N 3.41Å
30	L	94.2	Very high	89.8	Confident	83 Å²	83	108.1 Å²	108.1	44%	0.435	53%	0.528	S	S	.	.	H	α-helix	trans	-64	-35.7	175.4	-70.6	170.6	0	0	0	112.1	Q26 I27 R34	Q26-L30 WeakPolarHBondContact O-CG 3.26Å; Q26-L30 PolarHBondContact O-N 3.05Å; Q26-L30 VanDerWaalsContact O-N 3.12Å; I27-L30 PolarHBondContact O-N 2.94Å; L30-R34 WeakPolarHBondContact O-CG 3.41Å; L30-R34 PolarHBondContact O-N 3.12Å
31	Q	91.4	Very high	91.2	Very high	91 Å²	91	109.9 Å²	109.9	43%	0.425	53%	0.527	S	S	.	.	H	α-helix	trans	-65.8	-42.7	172.7	-71.3	-177.2	23.2	0	0	111.9	I27 D28 L29 R34 R35	I27-Q31 WeakPolarHBondContact O-CG 3.49Å; I27-Q31 PolarHBondContact O-N 3.49Å; D28-Q31 PolarHBondContact O-N 2.9Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 3Å; Q31-R34 PolarHBondContact O-N 3.41Å; Q31-R35 WeakPolarHBondContact O-CG 3.2Å; Q31-R35 PolarHBondContact O-N 3.33Å
32	R	95.1	Very high	92.2	Very high	130 Å²	130	105.6 Å²	105.6	49%	0.491	52%	0.515	S	S	.	.	H	α-helix	trans	-60.1	-44.6	174.8	-79.7	-175.1	-88.3	153.8	-6.1	111.7	D28 L29 R34 R35 T36	D28-R32 PolarHBondContact O-N 3Å; D28-R32 IonicContact OD2-CZ 3.12Å; D28-R32 IonicContact OD2-NE 2.71Å; D28-R32 PolarHBondContact OD2-NE 2.76Å; D28-R32 IonicContact OD2-NH2 2.69Å; D28-R32 PolarHBondContact OD2-NH2 2.74Å; L29-R32 PolarHBondContact O-N 3.42Å; R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.05Å; R32-R35 PolarHBondContact O-N 3.08Å; R32-R35 VanDerWaalsContact O-N 3.14Å; R32-T36 PolarHBondContact O-N 3.23Å
33	L	94.8	Very high	92.7	Very high	58 Å²	58	101.1 Å²	101.1	30%	0.304	50%	0.496	S	S	.	.	H	α-helix	trans	-62.3	-36	174.2	-69.9	172	0	0	0	112.9	L29 T36 M38 I43	L29-L33 WeakPolarHBondContact O-CG 3.48Å; L29-L33 PolarHBondContact O-N 3.41Å; L33-T36 PolarHBondContact O-OG1 3.31Å; L33-M38 HydrophobicContact CD2-SD 4.4Å; L33-I43 HydrophobicContact CB-CD1 3.86Å; L33-I43 HydrophobicContact CB-CG1 4.33Å; L33-I43 HydrophobicContact CD1-CG2 4.32Å
34	R	93.3	Very high	92.9	Very high	191 Å²	191	101.3 Å²	101.3	72%	0.721	49%	0.494	S	S	*	.	H	α-helix	trans	-71.2	-30.4	173.4	-72.9	-172	67.1	-162.8	-2.8	113.3	L30 Q31 R32 T36 G37 I43	L30-R34 WeakPolarHBondContact O-CG 3.41Å; L30-R34 PolarHBondContact O-N 3.12Å; Q31-R34 PolarHBondContact O-N 3.41Å; R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.05Å; R34-T36 VanDerWaalsContact C-N 3.3Å; R34-T36 PolarHBondContact O-N 2.8Å; R34-G37 PolarHBondContact O-N 2.94Å; R34-I43 HydrophobicContact CG-CD1 4.31Å
35	R	94.3	Very high	93.2	Very high	165 Å²	165	99.7 Å²	99.7	62%	0.623	48%	0.483	S	S	*	.	H	α-helix	trans	-70.5	-21.3	177.1	-71.6	174.5	-160.7	145.8	10.2	113.2	Q31 R32 G37	Q31-R35 WeakPolarHBondContact O-CG 3.2Å; Q31-R35 PolarHBondContact O-N 3.33Å; R32-R35 PolarHBondContact O-N 3.08Å; R32-R35 VanDerWaalsContact O-N 3.14Å; R35-G37 PolarHBondContact O-N 3.47Å
36	T	93.6	Very high	93.3	Very high	104 Å²	104	94 Å²	94	64%	0.638	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-1.9	171.1	64.6	0	0	0	0	113.3	R32 L33 R34	R32-T36 PolarHBondContact O-N 3.23Å; L33-T36 PolarHBondContact O-OG1 3.31Å; R34-T36 VanDerWaalsContact C-N 3.3Å; R34-T36 PolarHBondContact O-N 2.8Å
37	G	92.4	Very high	93.4	Very high	58 Å²	58	94 Å²	94	60%	0.598	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	-5.5	-177.7	0	0	0	0	0	114.5	R34 R35 T39	R34-G37 PolarHBondContact O-N 2.94Å; R35-G37 PolarHBondContact O-N 3.47Å; G37-T39 PolarHBondContact O-N 3.33Å
38	M	93.3	Very high	93.5	Very high	58 Å²	58	96.5 Å²	96.5	29%	0.286	48%	0.475	S	S	.	.			trans	-65.2	126.5	178.9	-63.9	-179.3	72.5	0	0	111.6	L33 E42 I43 A46	L33-M38 HydrophobicContact CD2-SD 4.4Å; M38-E42 HydrophobicContact CE-CB 4.21Å; M38-I43 HydrophobicContact CB-CD1 4.3Å; M38-I43 HydrophobicContact CB-CG1 3.85Å; M38-I43 HydrophobicContact CE-CG1 4.18Å; M38-A46 HydrophobicContact CE-CB 4.1Å
39	T	94.3	Very high	93.4	Very high	70 Å²	70	95.6 Å²	95.6	43%	0.429	47%	0.471	S	S	.	.			trans	-73	163.2	171.7	67.6	0	0	0	0	111.3	G37 H41 E42 I43	G37-T39 PolarHBondContact O-N 3.33Å; T39-H41 PolarHBondContact O-N 3.48Å; T39-E42 WeakPolarHBondContact CA-OE2 3.17Å; T39-E42 VanDerWaalsContact CB-OE2 3.22Å; T39-E42 WeakPolarHBondContact CB-OE2 3.48Å; T39-E42 VanDerWaalsContact CG2-OE2 3.27Å; T39-E42 WeakPolarHBondContact CG2-OE2 3.32Å; T39-E42 PolarHBondContact N-OE2 3.1Å; T39-E42 PolarHBondContact O-N 2.91Å; T39-E42 VanDerWaalsContact O-N 3.17Å; T39-E42 WeakPolarHBondContact OG1-CG 3.47Å; T39-E42 PolarHBondContact OG1-N 2.65Å; T39-E42 PolarHBondContact OG1-OE2 3.32Å; T39-I43 WeakPolarHBondContact O-CG1 3.14Å; T39-I43 PolarHBondContact O-N 3.41Å
40	K	92.3	Very high	93.2	Very high	159 Å²	159	96.4 Å²	96.4	69%	0.691	48%	0.475	S	S	*	.	H	α-helix	trans	-53.4	-38.3	174.9	-176.9	-176.4	175.1	-172.7	0	112.4	L44	K40-L44 HydrophobicContact CG-CD1 4.28Å; K40-L44 WeakPolarHBondContact O-CG 3.43Å; K40-L44 PolarHBondContact O-N 2.97Å; K40-L44 VanDerWaalsContact O-N 3.13Å
41	H	93.3	Very high	92.9	Very high	146 Å²	146	97.9 Å²	97.9	68%	0.676	48%	0.484	S	S	*	.	H	α-helix	trans	-70.7	-39.9	-179	-58.6	106.3	0	0	0	111.9	T39 L44 H45	T39-H41 PolarHBondContact O-N 3.48Å; H41-L44 PolarHBondContact O-N 3.41Å; H41-H45 WeakPolarHBondContact O-CB 3.2Å; H41-H45 PolarHBondContact O-N 3.02Å
42	E	92.5	Very high	92.8	Very high	99 Å²	99	100.4 Å²	100.4	46%	0.463	49%	0.49	S	S	.	.	H	α-helix	trans	-68.8	-35.6	176.2	-69	158.8	128.1	0	0	112.2	M38 T39 A46	M38-E42 HydrophobicContact CE-CB 4.21Å; T39-E42 WeakPolarHBondContact CA-OE2 3.17Å; T39-E42 VanDerWaalsContact CB-OE2 3.22Å; T39-E42 WeakPolarHBondContact CB-OE2 3.48Å; T39-E42 VanDerWaalsContact CG2-OE2 3.27Å; T39-E42 WeakPolarHBondContact CG2-OE2 3.32Å; T39-E42 PolarHBondContact N-OE2 3.1Å; T39-E42 PolarHBondContact O-N 2.91Å; T39-E42 VanDerWaalsContact O-N 3.17Å; T39-E42 WeakPolarHBondContact OG1-CG 3.47Å; T39-E42 PolarHBondContact OG1-N 2.65Å; T39-E42 PolarHBondContact OG1-OE2 3.32Å; E42-A46 VanDerWaalsContact O-CB 3.23Å; E42-A46 WeakPolarHBondContact O-CB 3.46Å; E42-A46 PolarHBondContact O-N 3.21Å
43	I	94	Very high	92.3	Very high	20 Å²	20	98 Å²	98	10%	0.103	49%	0.486	C	S	.	.	H	α-helix	trans	-63.2	-43.6	173.3	-65.5	168.4	0	0	0	110.5	L33 R34 M38 T39 A46 L47	L33-I43 HydrophobicContact CB-CD1 3.86Å; L33-I43 HydrophobicContact CB-CG1 4.33Å; L33-I43 HydrophobicContact CD1-CG2 4.32Å; R34-I43 HydrophobicContact CG-CD1 4.31Å; M38-I43 HydrophobicContact CB-CD1 4.3Å; M38-I43 HydrophobicContact CB-CG1 3.85Å; M38-I43 HydrophobicContact CE-CG1 4.18Å; T39-I43 WeakPolarHBondContact O-CG1 3.14Å; T39-I43 PolarHBondContact O-N 3.41Å; I43-A46 PolarHBondContact O-N 3.2Å; I43-L47 HydrophobicContact CG2-CD1 4.46Å; I43-L47 WeakPolarHBondContact O-CG 3.25Å; I43-L47 PolarHBondContact O-N 3.15Å; I43-L47 VanDerWaalsContact O-N 3.15Å
44	L	93.8	Very high	91.6	Very high	81 Å²	81	101.1 Å²	101.1	42%	0.424	50%	0.503	S	S	.	.	H	α-helix	trans	-65.6	-47.4	176.4	-70.1	168.7	0	0	0	111.9	K40 H41 A46 L47 E48	K40-L44 HydrophobicContact CG-CD1 4.28Å; K40-L44 WeakPolarHBondContact O-CG 3.43Å; K40-L44 PolarHBondContact O-N 2.97Å; K40-L44 VanDerWaalsContact O-N 3.13Å; H41-L44 PolarHBondContact O-N 3.41Å; L44-A46 VanDerWaalsContact C-N 3.27Å; L44-A46 PolarHBondContact O-N 2.99Å; L44-L47 WeakPolarHBondContact O-CB 3.46Å; L44-L47 PolarHBondContact O-N 2.87Å; L44-L47 VanDerWaalsContact O-N 3.09Å; L44-E48 PolarHBondContact O-N 3.42Å
45	H	93.8	Very high	90.9	Very high	117 Å²	117	97.4 Å²	97.4	54%	0.542	49%	0.494	S	S	.	.	H	α-helix	trans	-62.3	-32.5	177.1	179.6	-94.7	0	0	0	112.8	H41 T49	H41-H45 WeakPolarHBondContact O-CB 3.2Å; H41-H45 PolarHBondContact O-N 3.02Å; H45-T49 VanDerWaalsContact O-CB 3.31Å; H45-T49 WeakPolarHBondContact O-CB 3.27Å; H45-T49 PolarHBondContact O-N 3.32Å; H45-T49 PolarHBondContact O-OG1 3.02Å
46	A	92.9	Very high	89.9	Confident	37 Å²	37	93.5 Å²	93.5	31%	0.306	48%	0.483	S	S	.	.	H	α-helix	trans	-68.2	-37.6	173.5	0	0	0	0	0	112.4	M38 E42 I43 L44 T49 L50	M38-A46 HydrophobicContact CE-CB 4.1Å; E42-A46 VanDerWaalsContact O-CB 3.23Å; E42-A46 WeakPolarHBondContact O-CB 3.46Å; E42-A46 PolarHBondContact O-N 3.21Å; I43-A46 PolarHBondContact O-N 3.2Å; L44-A46 VanDerWaalsContact C-N 3.27Å; L44-A46 PolarHBondContact O-N 2.99Å; A46-T49 PolarHBondContact O-N 2.61Å; A46-L50 WeakPolarHBondContact O-CG 3.34Å; A46-L50 PolarHBondContact O-N 2.67Å
47	L	93.7	Very high	88.6	Confident	91 Å²	91	93.8 Å²	93.8	48%	0.476	48%	0.477	S	S	.	.	H	α-helix	trans	-66.5	-47.6	173.4	-68	167.2	0	0	0	111.3	I43 L44 T49 L50 D51	I43-L47 HydrophobicContact CG2-CD1 4.46Å; I43-L47 WeakPolarHBondContact O-CG 3.25Å; I43-L47 PolarHBondContact O-N 3.15Å; I43-L47 VanDerWaalsContact O-N 3.15Å; L44-L47 WeakPolarHBondContact O-CB 3.46Å; L44-L47 PolarHBondContact O-N 2.87Å; L44-L47 VanDerWaalsContact O-N 3.09Å; L47-T49 PolarHBondContact O-N 3.14Å; L47-L50 WeakPolarHBondContact O-CB 3.47Å; L47-L50 PolarHBondContact O-N 3.01Å; L47-D51 PolarHBondContact O-N 2.9Å
48	E	92.7	Very high	86.9	Confident	125 Å²	125	93.9 Å²	93.9	58%	0.584	47%	0.468	S	S	*	.	H	α-helix	trans	-58.5	-34.9	174.3	-68.4	170.8	-175	0	0	112.4	L44 R52	L44-E48 PolarHBondContact O-N 3.42Å; E48-R52 WeakPolarHBondContact O-CB 3.43Å; E48-R52 PolarHBondContact O-N 2.96Å; E48-R52 VanDerWaalsContact O-N 3.16Å
49	T	91.4	Very high	85.4	Confident	35 Å²	35	94 Å²	94	22%	0.215	47%	0.469	C	S	.	.	H	α-helix	trans	-71.2	-37.6	175.4	-62.5	0	0	0	0	112.1	H45 A46 L47 L53	H45-T49 VanDerWaalsContact O-CB 3.31Å; H45-T49 WeakPolarHBondContact O-CB 3.27Å; H45-T49 PolarHBondContact O-N 3.32Å; H45-T49 PolarHBondContact O-OG1 3.02Å; A46-T49 PolarHBondContact O-N 2.61Å; L47-T49 PolarHBondContact O-N 3.14Å; T49-L53 HydrophobicContact CG2-CD1 4.15Å; T49-L53 VanDerWaalsContact O-CG 3.28Å; T49-L53 WeakPolarHBondContact O-CG 3.48Å; T49-L53 PolarHBondContact O-N 3.4Å; T49-L53 VanDerWaalsContact O-N 3.1Å
50	L	90.6	Very high	83.7	Confident	106 Å²	106	97.3 Å²	97.3	56%	0.555	48%	0.478	S	S	*	.	H	α-helix	trans	-63.4	-48.8	173.8	-83.3	161.7	0	0	0	111.4	A46 L47 R52 L53 D54	A46-L50 WeakPolarHBondContact O-CG 3.34Å; A46-L50 PolarHBondContact O-N 2.67Å; L47-L50 WeakPolarHBondContact O-CB 3.47Å; L47-L50 PolarHBondContact O-N 3.01Å; L50-R52 VanDerWaalsContact C-N 3.31Å; L50-R52 PolarHBondContact O-N 2.62Å; L50-L53 PolarHBondContact O-N 3.1Å; L50-L53 VanDerWaalsContact O-N 3.1Å; L50-D54 PolarHBondContact O-N 3.49Å
51	D	88.5	Confident	81.9	Confident	115 Å²	115	98.2 Å²	98.2	62%	0.615	48%	0.482	S	S	*	.	H	α-helix	trans	-60.1	-41.2	179.7	-66.6	-22.2	0	0	0	111.5	L47 D54 Q55	L47-D51 PolarHBondContact O-N 2.9Å; D51-D54 PolarHBondContact O-N 2.88Å; D51-Q55 WeakPolarHBondContact O-CB 3.44Å; D51-Q55 PolarHBondContact O-N 3.15Å
52	R	89.1	Confident	79.9	Confident	144 Å²	144	94 Å²	94	54%	0.543	48%	0.478	S	S	.	.	H	α-helix	trans	-64	-39.8	174.8	-175.3	176.8	65.1	-144.1	-8.2	112.6	E48 L50 E56	E48-R52 WeakPolarHBondContact O-CB 3.43Å; E48-R52 PolarHBondContact O-N 2.96Å; E48-R52 VanDerWaalsContact O-N 3.16Å; L50-R52 VanDerWaalsContact C-N 3.31Å; L50-R52 PolarHBondContact O-N 2.62Å; R52-E56 PolarHBondContact O-N 3.49Å
53	L	84.4	Confident	77.7	Confident	80 Å²	80	98.7 Å²	98.7	42%	0.419	49%	0.492	S	S	.	.	H	α-helix	trans	-68.4	-42.8	178.6	-74.6	169.3	0	0	0	111.5	T49 L50 Q55 E56 H57	T49-L53 HydrophobicContact CG2-CD1 4.15Å; T49-L53 VanDerWaalsContact O-CG 3.28Å; T49-L53 WeakPolarHBondContact O-CG 3.48Å; T49-L53 PolarHBondContact O-N 3.4Å; T49-L53 VanDerWaalsContact O-N 3.1Å; L50-L53 PolarHBondContact O-N 3.1Å; L50-L53 VanDerWaalsContact O-N 3.1Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 2.97Å; L53-E56 PolarHBondContact O-N 3.21Å; L53-H57 PolarHBondContact O-CD2 3.47Å; L53-H57 VanDerWaalsContact O-CD2 3.23Å; L53-H57 PolarHBondContact O-N 3.16Å
54	D	79.4	Confident	75.1	Confident	123 Å²	123	109.4 Å²	109.4	66%	0.658	53%	0.531	S	S	*	.	H	α-helix	trans	-62.7	-42	177.3	-161.9	45.8	0	0	0	111.2	L50 D51 E56 H57 S58	L50-D54 PolarHBondContact O-N 3.49Å; D51-D54 PolarHBondContact O-N 2.88Å; D54-E56 PolarHBondContact O-N 2.69Å; D54-H57 PolarHBondContact O-N 2.81Å; D54-S58 PolarHBondContact O-N 2.86Å
55	Q	79.8	Confident	72.5	Confident	112 Å²	112	110.8 Å²	110.8	52%	0.523	55%	0.548	S	S	.	.	H	α-helix	trans	-59	-46	172.5	-173.4	59.3	56.1	0	0	112.2	D51 L53 H57 S58 D59	D51-Q55 WeakPolarHBondContact O-CB 3.44Å; D51-Q55 PolarHBondContact O-N 3.15Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 2.97Å; Q55-H57 PolarHBondContact O-N 3.26Å; Q55-S58 PolarHBondContact NE2-OG 3.09Å; Q55-S58 PolarHBondContact O-N 2.8Å; Q55-S58 PolarHBondContact O-OG 3.34Å; Q55-D59 PolarHBondContact NE2-OD2 3.14Å; Q55-D59 PolarHBondContact O-N 3.4Å; Q55-D59 VanDerWaalsContact O-N 3.12Å
56	E	72.9	Confident	70.1	Confident	84 Å²	84	110 Å²	110	39%	0.393	56%	0.555	S	S	.	*	H	α-helix	trans	-63.8	-36.8	176.1	-83.3	-163.9	-138.2	0	0	113.6	R52 L53 D54 S58 K60	R52-E56 PolarHBondContact O-N 3.49Å; L53-E56 PolarHBondContact O-N 3.21Å; D54-E56 PolarHBondContact O-N 2.69Å; E56-S58 VanDerWaalsContact C-N 3.35Å; E56-K60 WeakPolarHBondContact O-CB 3.29Å; E56-K60 WeakPolarHBondContact O-CD 3.34Å; E56-K60 WeakPolarHBondContact O-CG 3.44Å; E56-K60 PolarHBondContact O-N 3.01Å; E56-K60 VanDerWaalsContact O-N 3.11Å; E56-K60 IonicContact OE2-NZ 3.31Å; E56-K60 PolarHBondContact OE2-NZ 3.01Å
57	H	65.5	Low	67.4	Low	110 Å²	110	119.3 Å²	119.3	51%	0.509	58%	0.584	S	S	.	*	H	α-helix	trans	-68	-36	174.8	-85.2	-79.6	0	0	0	111.5	L53 D54 Q55 F61	L53-H57 PolarHBondContact O-CD2 3.47Å; L53-H57 VanDerWaalsContact O-CD2 3.23Å; L53-H57 PolarHBondContact O-N 3.16Å; D54-H57 PolarHBondContact O-N 2.81Å; Q55-H57 PolarHBondContact O-N 3.26Å; H57-F61 PolarHBondContact O-N 3.48Å
58	S	57.8	Low	64.6	Low	60 Å²	60	118.9 Å²	118.9	42%	0.42	60%	0.601	S	S	.	*	H	α-helix	trans	-63.7	-43	174.8	86.2	0	0	0	0	112.5	D54 Q55 E56 G62	D54-S58 PolarHBondContact O-N 2.86Å; Q55-S58 PolarHBondContact NE2-OG 3.09Å; Q55-S58 PolarHBondContact O-N 2.8Å; Q55-S58 PolarHBondContact O-OG 3.34Å; E56-S58 VanDerWaalsContact C-N 3.35Å; S58-G62 VanDerWaalsContact O-CA 3.3Å; S58-G62 WeakPolarHBondContact O-CA 3.42Å; S58-G62 PolarHBondContact O-N 2.67Å
59	D	60.1	Low	61.7	Low	59 Å²	59	116.8 Å²	116.8	32%	0.316	61%	0.614	S	S	.	*	H	α-helix	trans	-75.2	-32.2	-179.3	-88.3	-66.8	0	0	0	112.9	Q55 R63	Q55-D59 PolarHBondContact NE2-OD2 3.14Å; Q55-D59 PolarHBondContact O-N 3.4Å; Q55-D59 VanDerWaalsContact O-N 3.12Å; D59-R63 WeakPolarHBondContact O-CG 3.41Å; D59-R63 IonicContact OD1-CZ 3.18Å; D59-R63 VanDerWaalsContact OD1-CZ 3.29Å; D59-R63 IonicContact OD1-NE 3.13Å; D59-R63 PolarHBondContact OD1-NE 3.15Å; D59-R63 IonicContact OD1-NH2 2.75Å; D59-R63 PolarHBondContact OD1-NH2 2.92Å
60	K	59.5	Low	58.8	Low	141 Å²	141	120.8 Å²	120.8	61%	0.613	64%	0.643	S	S	*	*	H	α-helix	trans	-73	-27	178.6	-75.8	165.9	-179.3	159.6	0	113.9	E56	E56-K60 WeakPolarHBondContact O-CB 3.29Å; E56-K60 WeakPolarHBondContact O-CD 3.34Å; E56-K60 WeakPolarHBondContact O-CG 3.44Å; E56-K60 PolarHBondContact O-N 3.01Å; E56-K60 VanDerWaalsContact O-N 3.11Å; E56-K60 IonicContact OE2-NZ 3.31Å; E56-K60 PolarHBondContact OE2-NZ 3.01Å
61	F	55	Low	56.2	Low	177 Å²	177	119.7 Å²	119.7	78%	0.776	64%	0.644	S	S	*	*	H	α-helix	trans	-111.5	-20.6	179	-70.3	-83.1	0	0	0	114.6	H57	H57-F61 PolarHBondContact O-N 3.48Å
62	G	50.7	Low	53.5	Low	57 Å²	57	125 Å²	125	59%	0.588	66%	0.657	S	S	*	*	H	α-helix	trans	-83.2	-14.8	-179.1	0	0	0	0	0	115.6	S58 R64	S58-G62 VanDerWaalsContact O-CA 3.3Å; S58-G62 WeakPolarHBondContact O-CA 3.42Å; S58-G62 PolarHBondContact O-N 2.67Å; G62-R64 VanDerWaalsContact C-N 3.32Å; G62-R64 PolarHBondContact O-N 3.06Å; G62-R64 VanDerWaalsContact O-N 3.13Å
63	R	46.9	Very low	50.8	Low	198 Å²	198	121.7 Å²	121.7	75%	0.747	67%	0.668	S	S	*	*			trans	-88.6	51.7	-176.2	-61.6	-74.3	-179.3	-161.6	-6.5	113.9	D59	D59-R63 WeakPolarHBondContact O-CG 3.41Å; D59-R63 IonicContact OD1-CZ 3.18Å; D59-R63 VanDerWaalsContact OD1-CZ 3.29Å; D59-R63 IonicContact OD1-NE 3.13Å; D59-R63 PolarHBondContact OD1-NE 3.15Å; D59-R63 IonicContact OD1-NH2 2.75Å; D59-R63 PolarHBondContact OD1-NH2 2.92Å
64	R	39.5	Very low	48.3	Very low	245 Å²	245	125.1 Å²	125.1	93%	0.925	69%	0.687	S	S	*	*			trans	-128.4	72.6	153.7	-83.6	-164.9	174.4	-135.9	-0.2	110.2	G62	G62-R64 VanDerWaalsContact C-N 3.32Å; G62-R64 PolarHBondContact O-N 3.06Å; G62-R64 VanDerWaalsContact O-N 3.13Å
65	S	38.4	Very low	46.1	Very low	111 Å²	111	123.6 Å²	123.6	78%	0.776	69%	0.686	S	S	*	*			trans	-68.5	131.6	167.6	-167.8	0	0	0	0	110.3
66	S	42.7	Very low	43.8	Very low	101 Å²	101	125.2 Å²	125.2	71%	0.706	70%	0.703	S	S	*	*			trans	-35.2	125.1	169.4	-177.3	0	0	0	0	115
67	Y	37.9	Very low	42.5	Very low	232 Å²	232	128.4 Å²	128.4	91%	0.91	72%	0.723	S	S	*	*			trans	-151	99	149.3	-96.9	-73.9	0	0	0	110.7
68	G	34.6	Very low	41	Very low	81 Å²	81	130.7 Å²	130.7	84%	0.835	74%	0.739	S	S	*	*			trans	69	145.3	153.6	0	0	0	0	0	119.8
69	G	30.5	Very low	40.1	Very low	82 Å²	82	133.8 Å²	133.8	85%	0.845	76%	0.755	S	S	*	*			trans	122.3	116.3	153.8	0	0	0	0	0	116.9
70	S	30.7	Very low	39.5	Very low	119 Å²	119	136.7 Å²	136.7	83%	0.832	78%	0.777	S	S	*	*			trans	-46	138.6	176	-56.1	0	0	0	0	119.4
71	S	35.8	Very low	38.2	Very low	83 Å²	83	134.3 Å²	134.3	58%	0.58	78%	0.784	S	S	*	*				82.7	147.8	125.7	-158.5	0	0	0	0	122.7
72	Y	32.5	Very low	37.3	Very low	226 Å²	226	131.5 Å²	131.5	89%	0.886	79%	0.786	S	S	*	*			trans	76.3	139.4	164.6	-46.3	-70.2	0	0	0	119.6
73	G	31.6	Very low	36.5	Very low	75 Å²	75	134.8 Å²	134.8	77%	0.773	80%	0.8	S	S	*	*			trans	117.6	73	140.1	0	0	0	0	0	120.5
74	N	31.9	Very low	35.9	Very low	152 Å²	152	130.9 Å²	130.9	81%	0.813	80%	0.803	S	S	*	*			trans	34.7	128.8	133.8	-152.8	26.3	0	0	0	123.3
75	S	33.7	Very low	36.2	Very low	90 Å²	90	126.3 Å²	126.3	63%	0.629	80%	0.803	S	S	*	*			trans	35.6	128.4	142.7	-58	0	0	0	0	122.8
76	T	32.1	Very low	36.1	Very low	146 Å²	146	125.2 Å²	125.2	90%	0.896	80%	0.8	S	S	*	*				179	160.5	106.8	27.1	0	0	0	0	113.8
77	N	44.4	Very low	35.7	Very low	151 Å²	151	127.3 Å²	127.3	81%	0.807	81%	0.809	S	S	*	*			trans	-70.3	152.4	173.6	-65.8	-31.5	0	0	0	112.6
78	N	33.9	Very low	35.4	Very low	159 Å²	159	120.2 Å²	120.2	85%	0.85	80%	0.798	S	S	*	*				-174.1	147.9	117	-104.2	-14.8	0	0	0	115.8
79	V	38.8	Very low	35.3	Very low	125 Å²	125	121.6 Å²	121.6	76%	0.758	80%	0.795	S	S	*	*			trans	-79.6	155.2	155.2	-129.5	0	0	0	0	108.3
80	P	49.3	Very low	35.5	Very low	120 Å²	120	124.1 Å²	124.1	78%	0.779	79%	0.794	S	S	*	*				-144.3	-158	75.4	41.2	-20.9	0	0	0	110.8
81	A	31.2	Very low	35.6	Very low	90 Å²	90	127 Å²	127	74%	0.744	80%	0.795	S	S	*	*			cis	-152.1	173.3	3.1	0	0	0	0	0	111.1
82	S	36	Very low	35.5	Very low	119 Å²	119	129.8 Å²	129.8	83%	0.832	81%	0.809	S	S	*	*			trans	-103.9	152.4	161.6	-54.7	0	0	0	0	110.7
83	S	34.5	Very low	35.5	Very low	125 Å²	125	127.7 Å²	127.7	87%	0.874	81%	0.807	S	S	*	*			trans	-107.7	137.9	167.8	49.8	0	0	0	0	111.3
84	S	35	Very low	35.5	Very low	117 Å²	117	132.6 Å²	132.6	82%	0.818	81%	0.809	S	S	*	*			trans	-114.2	144.8	-179.4	-52.3	0	0	0	0	110.5
85	T	44	Very low	35.5	Very low	148 Å²	148	131.1 Å²	131.1	91%	0.908	81%	0.811	S	S	*	*			trans	-118	141.4	163.1	44.4	0	0	0	0	109.5
86	A	36.3	Very low	35.3	Very low	88 Å²	88	130.5 Å²	130.5	73%	0.727	82%	0.819	S	S	*	*			trans	-123.5	161.3	-172.7	0	0	0	0	0	112.2
87	T	34.3	Very low	35.5	Very low	145 Å²	145	132.6 Å²	132.6	89%	0.89	82%	0.82	S	S	*	*			trans	133.1	143.9	148.3	54.4	0	0	0	0	112.2
88	A	33.3	Very low	34.9	Very low	83 Å²	83	130.7 Å²	130.7	69%	0.686	82%	0.819	S	S	*	*			cis	-161.2	156.4	-5.3	0	0	0	0	0	113.9
89	S	31.8	Very low	35.8	Very low	110 Å²	110	128.9 Å²	128.9	77%	0.769	82%	0.816	S	S	*	*			trans	57	114.4	140.8	-58.1	0	0	0	0	124.1
90	T	35.1	Very low	35.9	Very low	135 Å²	135	128.2 Å²	128.2	83%	0.828	82%	0.817	S	S	*	*				-171.4	109.4	110.6	19.8	0	0	0	0	108.9
91	Q	33.1	Very low	35.9	Very low	179 Å²	179	128.6 Å²	128.6	84%	0.836	82%	0.819	S	S	*	*				70	104.4	94.4	-152	-170.3	115.8	0	0	115.9
92	T	32.3	Very low	36.1	Very low	143 Å²	143	129.8 Å²	129.8	88%	0.877	82%	0.822	S	S	*	*				-170.7	157.7	128.9	21.2	0	0	0	0	109.7
93	Q	32.7	Very low	35.9	Very low	182 Å²	182	132 Å²	132	85%	0.85	83%	0.825	S	S	*	*			trans	-111.3	150.3	-172.2	-60.2	-156.8	31.8	0	0	112.9
94	H	31.7	Very low	35.9	Very low	178 Å²	178	130.3 Å²	130.3	82%	0.824	81%	0.813	S	S	*	*				-166.4	122.7	127.7	55.1	104.1	0	0	0	114.4
95	S	31.4	Very low	36	Very low	121 Å²	121	136.1 Å²	136.1	85%	0.846	82%	0.819	S	S	*	*			trans	19.8	137.3	140.5	-46.9	0	0	0	0	122.5
96	G	30.9	Very low	35.5	Very low	77 Å²	77	135.4 Å²	135.4	79%	0.794	81%	0.809	S	S	*	*			trans	159.6	94.6	151.9	0	0	0	0	0	116.6
97	M	35.4	Very low	35.4	Very low	189 Å²	189	138 Å²	138	93%	0.931	82%	0.816	S	S	*	*			trans	-60.9	158.3	-177.8	-60.2	113.1	85.9	0	0	117
98	S	32.9	Very low	35.7	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	81%	0.806	S	S	*	*			trans	-60.4	-173.8	165.8	-30.5	0	0	0	0	113.6
99	P	52.5	Low	36.6	Very low	120 Å²	120	137 Å²	137	78%	0.779	81%	0.808	S	S	*	*			cis	-136.1	-175.6	-3.3	37.2	-16.1	0	0	0	115.5
100	S	40.3	Very low	36.7	Very low	112 Å²	112	140.5 Å²	140.5	78%	0.783	81%	0.812	S	S	*	*			trans	-68.3	166.2	166.3	-42.3	0	0	0	0	113.3
101	P	49.8	Very low	36.9	Very low	127 Å²	127	139.7 Å²	139.7	83%	0.825	81%	0.809	S	S	*	*			trans	-136.4	163.4	133.2	35	-21.6	0	0	0	115.4
102	S	34.3	Very low	36.8	Very low	115 Å²	115	137.3 Å²	137.3	80%	0.804	81%	0.811	S	S	*	*			trans	-73.7	168	-172.2	-43.7	0	0	0	0	115.3
103	N	32.7	Very low	36.7	Very low	167 Å²	167	137.4 Å²	137.4	89%	0.893	81%	0.811	S	S	*	*			trans	-147.7	139.9	134.9	-125.7	-9	0	0	0	112.2
104	S	35.4	Very low	36.6	Very low	89 Å²	89	134.6 Å²	134.6	62%	0.622	81%	0.807	S	S	*	*			trans	-115.1	148.9	-175.9	51.7	0	0	0	0	110.5
105	Y	35.3	Very low	36.6	Very low	238 Å²	238	134.1 Å²	134.1	93%	0.933	81%	0.81	S	S	*	*			trans	-160.4	153.5	137.4	-97.4	-63.3	0	0	0	110.7
106	D	33.9	Very low	36.7	Very low	133 Å²	133	137 Å²	137	71%	0.711	81%	0.81	S	S	*	*			trans	-116.5	131.5	-166.1	167.6	31.3	0	0	0	110.4
107	T	34.4	Very low	36.7	Very low	143 Å²	143	141.5 Å²	141.5	88%	0.877	82%	0.816	S	S	*	*			trans	-158.4	124.2	154.6	-43.1	0	0	0	0	109.8
108	S	40.7	Very low	36.6	Very low	97 Å²	97	135.9 Å²	135.9	68%	0.678	81%	0.807	S	S	*	*			trans	-105.2	174.9	173.5	-81.2	0	0	0	0	111.2
109	P	51.9	Low	36.7	Very low	111 Å²	111	140.1 Å²	140.1	72%	0.721	81%	0.805	S	S	*	*			cis	-135.7	163.2	-35	35.8	-20.4	0	0	0	113.4
110	Q	33.4	Very low	35.7	Very low	183 Å²	183	141.1 Å²	141.1	86%	0.855	80%	0.8	S	S	*	*			trans	170.3	148.4	131	-97.2	-173.6	18.6	0	0	112.3
111	P	40.6	Very low	35.2	Very low	118 Å²	118	142.5 Å²	142.5	77%	0.766	80%	0.798	S	S	*	*			trans	-94.4	135.1	177.1	35.5	-30.9	0	0	0	112.8
112	C	29.6	Very low	34.2	Very low	129 Å²	129	142.9 Å²	142.9	87%	0.872	79%	0.793	S	S	*	*			trans	-110.6	105.6	167.3	-68.4	0	0	0	0	110
113	T	31.6	Very low	34.1	Very low	144 Å²	144	146 Å²	146	88%	0.883	80%	0.795	S	S	*	*			trans	-119.1	127	158	53.3	0	0	0	0	108
114	T	30.4	Very low	34.1	Very low	123 Å²	123	149.1 Å²	149.1	76%	0.755	79%	0.794	S	S	*	*			trans	-116	123.6	172.6	-157.3	0	0	0	0	108.6
115	N	31	Very low	33.9	Very low	168 Å²	168	152.3 Å²	152.3	90%	0.898	80%	0.804	S	S	*	*			trans	-141.2	118.1	163.5	-109.6	-14.1	0	0	0	105.7
116	Q	33.2	Very low	33.7	Very low	181 Å²	181	146 Å²	146	85%	0.846	79%	0.794	S	S	*	*			trans	-78.1	127.9	-178	-63.3	178.2	38.1	0	0	109.6
117	N	32.4	Very low	33.6	Very low	172 Å²	172	146.3 Å²	146.3	92%	0.92	80%	0.802	S	S	*	*			trans	-155	119.7	151.9	-102	-20.4	0	0	0	108.7
118	G	31.4	Very low	33.6	Very low	71 Å²	71	144.2 Å²	144.2	73%	0.732	79%	0.792	S	S	*	*			trans	-112.1	170.2	160.9	0	0	0	0	0	109.4
119	R	34.9	Very low	33.1	Very low	201 Å²	201	147.7 Å²	147.7	76%	0.758	80%	0.804	S	S	*	*			cis	-168.4	137.5	8.1	-162.8	176.6	169.1	-179.9	-10.6	109.4
120	E	32.1	Very low	32.1	Very low	141 Å²	141	145.7 Å²	145.7	66%	0.659	80%	0.803	S	S	*	*			trans	61.4	148.5	149.7	-80.3	160.8	-157.9	0	0	119.8
121	N	30.1	Very low	32.1	Very low	141 Å²	141	146.3 Å²	146.3	75%	0.754	80%	0.803	S	S	*	*			cis	-162.7	159	-11.1	-162.2	-25.3	0	0	0	110.1
122	N	29.1	Very low	31.8	Very low	135 Å²	135	149.1 Å²	149.1	72%	0.722	81%	0.808	S	S	*	*			trans	94.2	102.5	141.6	-145.9	23.2	0	0	0	119.2
123	E	32.6	Very low	32	Very low	180 Å²	180	148.5 Å²	148.5	84%	0.841	81%	0.805	S	S	*	*			trans	-124.6	129.1	159.3	-170.4	178.8	-146.4	0	0	108.1
124	R	32.7	Very low	33.3	Very low	233 Å²	233	147.1 Å²	147.1	88%	0.879	80%	0.798	S	S	*	*			trans	-140.4	146.2	165.6	-80.8	-160.8	173.4	-148.9	-2.1	111
125	L	31.5	Very low	33.3	Very low	156 Å²	156	147.8 Å²	147.8	82%	0.817	80%	0.803	S	S	*	*			trans	-89.3	169.6	-156.4	-67.5	156.1	0	0	0	115.2
126	S	31.4	Very low	33.6	Very low	105 Å²	105	150 Å²	150	73%	0.734	80%	0.798	S	S	*	*			trans	86.7	110.8	144.4	-63.7	0	0	0	0	119.7
127	T	31.5	Very low	33.6	Very low	141 Å²	141	151.4 Å²	151.4	87%	0.865	80%	0.797	S	S	*	*			trans	162.4	146.3	134	34.5	0	0	0	0	106.2
128	S	32.7	Very low	33.6	Very low	98 Å²	98	152.5 Å²	152.5	69%	0.685	80%	0.796	S	S	*	*			cis	174.7	148.7	-4.5	49.5	0	0	0	0	105.9
129	N	30.8	Very low	33.7	Very low	171 Å²	171	152.7 Å²	152.7	91%	0.914	79%	0.791	S	S	*	*			trans	58.4	131.7	161.5	-96.3	-8.2	0	0	0	120.3
130	G	32.2	Very low	33.5	Very low	68 Å²	68	150.7 Å²	150.7	70%	0.701	80%	0.795	S	S	*	*			trans	-102.2	169.9	167	0	0	0	0	0	113.3
131	K	32	Very low	33.3	Very low	197 Å²	197	148.7 Å²	148.7	86%	0.857	80%	0.797	S	S	*	*			trans	-172.4	127.5	150.4	-108.6	166.9	-177.3	179.4	0	111.4
132	M	34.5	Very low	33.5	Very low	177 Å²	177	150.5 Å²	150.5	87%	0.872	80%	0.803	S	S	*	*			trans	39.7	122.7	132.4	-60	175.1	154.5	0	0	120.3
133	S	34.8	Very low	33.9	Very low	115 Å²	115	147.7 Å²	147.7	80%	0.804	81%	0.805	S	S	*	*			trans	-66.4	-169.1	166.2	-11	0	0	0	0	113.2
134	P	58.9	Low	33.9	Very low	116 Å²	116	147.4 Å²	147.4	75%	0.753	80%	0.804	S	S	*	*			cis	-136.1	162.8	-37.2	36.4	-20.3	0	0	0	114
135	T	30.3	Very low	34.1	Very low	137 Å²	137	148.2 Å²	148.2	84%	0.84	81%	0.807	S	S	*	*			trans	-149.2	106	167.7	-61.4	0	0	0	0	109.3
136	R	36.1	Very low	34.1	Very low	215 Å²	215	145.9 Å²	145.9	81%	0.811	80%	0.804	S	S	*	*				73.7	109.7	82	-73.4	-163.2	-165.6	-169.5	7.8	116.4
137	Y	33.5	Very low	34.5	Very low	210 Å²	210	151.1 Å²	151.1	82%	0.824	81%	0.809	S	S	*	*			trans	50.8	126.4	145.1	-62.8	-75.5	0	0	0	122.4
138	H	31.9	Very low	34.7	Very low	195 Å²	195	148.2 Å²	148.2	90%	0.903	79%	0.794	S	S	*	*			trans	-135.3	149.5	130	-131.3	-87.8	0	0	0	109.6
139	A	33.8	Very low	35.1	Very low	74 Å²	74	152 Å²	152	61%	0.612	80%	0.799	S	S	*	*			trans	-125.5	162.6	-169.1	0	0	0	0	0	113.5
140	N	31	Very low	35.5	Very low	159 Å²	159	151.2 Å²	151.2	85%	0.85	79%	0.79	S	S	*	*			trans	67.6	145.4	176	-67.4	3.9	0	0	0	116
141	S	29.1	Very low	36	Very low	99 Å²	99	149.5 Å²	149.5	69%	0.692	77%	0.769	S	S	*	*			cis	-153.4	165.3	11.2	-154.6	0	0	0	0	113.9
142	M	33.1	Very low	37	Very low	180 Å²	180	143.4 Å²	143.4	89%	0.887	75%	0.751	S	S	*	*			trans	67.3	114.2	160.1	-63.1	-159.3	167.9	0	0	121.2
143	G	38.1	Very low	37.9	Very low	75 Å²	75	143.4 Å²	143.4	77%	0.773	75%	0.749	S	S	*	*				96.1	28.2	109.6	0	0	0	0	0	118.9
144	Q	32.7	Very low	38.9	Very low	175 Å²	175	144.9 Å²	144.9	82%	0.818	74%	0.744	S	S	*	*			trans	-109.9	113.2	159.1	-74.8	-76.7	-75.8	0	0	108.6	S146	Q144-S146 VanDerWaalsContact C-N 3.28Å; Q144-S146 PolarHBondContact O-N 2.99Å
145	R	35.8	Very low	39	Very low	250 Å²	250	142.2 Å²	142.2	94%	0.943	72%	0.723	S	S	*	*			trans	-66.6	96.8	162.1	-85.9	-174.8	173.8	-172.9	-2.1	106.6	Y147	R145-Y147 VanDerWaalsContact C-N 3.32Å; R145-Y147 PolarHBondContact O-N 2.87Å
146	S	31.9	Very low	40.5	Very low	106 Å²	106	140.6 Å²	140.6	74%	0.741	71%	0.708	S	S	*	*			trans	-55.3	102.4	160.4	-44.8	0	0	0	0	106.7	Q144 S148	Q144-S146 VanDerWaalsContact C-N 3.28Å; Q144-S146 PolarHBondContact O-N 2.99Å; S146-S148 PolarHBondContact O-N 3.46Å
147	Y	39.5	Very low	42.6	Very low	215 Å²	215	133.4 Å²	133.4	84%	0.843	69%	0.686	S	S	*	*			trans	-70.1	77.1	155.4	-165	-90.5	0	0	0	105.1	R145 F149	R145-Y147 VanDerWaalsContact C-N 3.32Å; R145-Y147 PolarHBondContact O-N 2.87Å; Y147-F149 PolarHBondContact O-N 3.33Å; Y147-F149 VanDerWaalsContact O-N 3.07Å
148	S	35.8	Very low	45	Very low	80 Å²	80	123.7 Å²	123.7	56%	0.559	65%	0.648	S	S	*	*			trans	-52.1	117.7	159.7	-170.5	0	0	0	0	104.3	S146 E150	S146-S148 PolarHBondContact O-N 3.46Å; S148-E150 PolarHBondContact O-N 3.48Å
149	F	41.6	Very low	47.6	Very low	177 Å²	177	117 Å²	117	78%	0.776	62%	0.62	S	S	*	*			trans	-68.5	77.7	161.4	-179.3	-96	0	0	0	105	Y147 A151	Y147-F149 PolarHBondContact O-N 3.33Å; Y147-F149 VanDerWaalsContact O-N 3.07Å; F149-A151 PolarHBondContact O-N 3.26Å
150	E	39.5	Very low	50.3	Low	155 Å²	155	119.1 Å²	119.1	72%	0.724	62%	0.621	S	S	*	*			trans	-57.2	114.2	162	-70.6	-168.5	150	0	0	104.8	S148 S152	S148-E150 PolarHBondContact O-N 3.48Å; E150-S152 VanDerWaalsContact C-N 3.25Å; E150-S152 PolarHBondContact O-N 3.03Å
151	A	43.3	Very low	53.2	Low	32 Å²	32	115.2 Å²	115.2	26%	0.264	60%	0.596	S	S	.	*			trans	-51	109.3	147.6	0	0	0	0	0	104.2	F149 E153 D155 L156	F149-A151 PolarHBondContact O-N 3.26Å; A151-E153 PolarHBondContact O-N 3.29Å; A151-D155 HydrophobicContact CB-CB 4.45Å; A151-L156 HydrophobicContact CB-CD2 4.1Å; A151-L156 HydrophobicContact CB-CG 4.17Å
152	S	52.1	Low	56.2	Low	70 Å²	70	110.5 Å²	110.5	49%	0.49	56%	0.563	S	S	.	*			trans	-44.9	139.8	177.1	43.7	0	0	0	0	108	E150 E154 D155	E150-S152 VanDerWaalsContact C-N 3.25Å; E150-S152 PolarHBondContact O-N 3.03Å; S152-E154 PolarHBondContact O-N 2.92Å; S152-D155 PolarHBondContact O-N 3.45Å
153	E	52.3	Low	59.1	Low	176 Å²	176	106.5 Å²	106.5	82%	0.822	54%	0.542	S	S	*	.	H	α-helix	trans	-51.3	-27.3	-172.3	-60.2	-175.7	119.6	0	0	112.8	A151 L156 D157	A151-E153 PolarHBondContact O-N 3.29Å; E153-L156 PolarHBondContact O-N 2.84Å; E153-D157 PolarHBondContact O-N 2.92Å; E153-D157 VanDerWaalsContact O-N 3.14Å
154	E	57.1	Low	61.7	Low	147 Å²	147	106.7 Å²	106.7	69%	0.687	52%	0.523	S	S	*	.	H	α-helix	trans	-62.7	-29.7	172.3	-155	169.6	-160.5	0	0	115.8	S152 V158	S152-E154 PolarHBondContact O-N 2.92Å; E154-V158 VanDerWaalsContact O-CG2 3.27Å; E154-V158 WeakPolarHBondContact O-CG2 3.33Å; E154-V158 PolarHBondContact O-N 3.34Å
155	D	59.6	Low	64.6	Low	59 Å²	59	98.4 Å²	98.4	32%	0.316	48%	0.484	S	S	.	.	H	α-helix	trans	-83	-30.9	177.9	-161.3	54.8	0	0	0	111.8	A151 S152 V158 D159 R223	A151-D155 HydrophobicContact CB-CB 4.45Å; S152-D155 PolarHBondContact O-N 3.45Å; D155-V158 PolarHBondContact O-N 2.7Å; D155-D159 PolarHBondContact O-N 3.49Å; D155-R223 VanDerWaalsContact CG-NH2 3.28Å; D155-R223 IonicContact OD1-CZ 4Å; D155-R223 IonicContact OD1-NH1 3.75Å; D155-R223 IonicContact OD1-NH2 3.52Å; D155-R223 PolarHBondContact OD1-NH2 3.03Å; D155-R223 IonicContact OD2-NH2 2.63Å; D155-R223 PolarHBondContact OD2-NH2 3.02Å
156	L	62.8	Low	67.4	Low	103 Å²	103	88.6 Å²	88.6	54%	0.539	45%	0.45	S	S	.	.	H	α-helix	trans	-68.5	-45.8	171.5	-63.5	176.7	0	0	0	110.9	A151 E153 V158 D159 D160	A151-L156 HydrophobicContact CB-CD2 4.1Å; A151-L156 HydrophobicContact CB-CG 4.17Å; E153-L156 PolarHBondContact O-N 2.84Å; L156-V158 VanDerWaalsContact C-N 3.26Å; L156-V158 PolarHBondContact O-N 2.84Å; L156-D159 PolarHBondContact O-N 3.2Å; L156-D159 VanDerWaalsContact O-N 3.15Å; L156-D160 PolarHBondContact O-N 3.42Å
157	D	80.9	Confident	70.3	Confident	65 Å²	65	93.8 Å²	93.8	35%	0.348	45%	0.453	S	S	.	.	H	α-helix	trans	-57.1	-37.6	173	166.4	68.3	0	0	0	112.4	E153 K161	E153-D157 PolarHBondContact O-N 2.92Å; E153-D157 VanDerWaalsContact O-N 3.14Å; D157-K161 WeakPolarHBondContact O-CB 3.46Å; D157-K161 WeakPolarHBondContact O-CD 3.47Å; D157-K161 WeakPolarHBondContact O-CG 3.37Å; D157-K161 PolarHBondContact O-N 3.46Å; D157-K161 WeakPolarHBondContact OD1-CE 3.47Å; D157-K161 IonicContact OD1-NZ 2.72Å; D157-K161 PolarHBondContact OD1-NZ 3.31Å; D157-K161 IonicContact OD2-NZ 3.7Å; D157-K161 PolarHBondContact OD2-NZ 2.92Å
158	V	83.4	Confident	72.9	Confident	5 Å²	5	89.4 Å²	89.4	3%	0.03	44%	0.435	C	S	.	.	H	α-helix	trans	-65.7	-43	175	165.6	0	0	0	0	112.2	E154 D155 L156 K161 V162 R223 L227	E154-V158 VanDerWaalsContact O-CG2 3.27Å; E154-V158 WeakPolarHBondContact O-CG2 3.33Å; E154-V158 PolarHBondContact O-N 3.34Å; D155-V158 PolarHBondContact O-N 2.7Å; L156-V158 VanDerWaalsContact C-N 3.26Å; L156-V158 PolarHBondContact O-N 2.84Å; V158-K161 WeakPolarHBondContact O-CB 3.46Å; V158-K161 PolarHBondContact O-N 2.98Å; V158-V162 VanDerWaalsContact O-CG2 3.27Å; V158-V162 WeakPolarHBondContact O-CG2 3.33Å; V158-V162 PolarHBondContact O-N 3.49Å; V158-R223 HydrophobicContact CG1-CG 3.8Å; V158-L227 HydrophobicContact CG1-CD2 4.24Å; V158-L227 HydrophobicContact CG1-CG 4.18Å; V158-L227 HydrophobicContact CG2-CD2 3.9Å
159	D	86.1	Confident	75.6	Confident	55 Å²	55	90.2 Å²	90.2	29%	0.294	43%	0.433	S	S	.	.	H	α-helix	trans	-72.1	-36.5	-179.1	-100.7	37.8	0	0	0	112.1	D155 L156 V162 E163 R223	D155-D159 PolarHBondContact O-N 3.49Å; L156-D159 PolarHBondContact O-N 3.2Å; L156-D159 VanDerWaalsContact O-N 3.15Å; D159-V162 WeakPolarHBondContact O-CB 3.48Å; D159-V162 PolarHBondContact O-N 2.77Å; D159-V162 VanDerWaalsContact O-N 3.14Å; D159-E163 PolarHBondContact O-N 3.31Å; D159-R223 IonicContact OD1-CZ 3.91Å; D159-R223 IonicContact OD1-NE 2.62Å; D159-R223 PolarHBondContact OD1-NE 2.99Å; D159-R223 IonicContact OD1-NH2 2.83Å
160	D	91.3	Very high	78	Confident	119 Å²	119	83.3 Å²	83.3	64%	0.636	41%	0.407	S	S	*	.	H	α-helix	trans	-62.5	-43.4	169.9	-79.4	-18.7	0	0	0	111.6	L156 V162 E163 E164	L156-D160 PolarHBondContact O-N 3.42Å; D160-V162 PolarHBondContact O-N 3.46Å; D160-E163 WeakPolarHBondContact O-CB 3.26Å; D160-E163 PolarHBondContact O-N 3.15Å; D160-E163 VanDerWaalsContact O-N 3.15Å; D160-E164 PolarHBondContact O-N 2.85Å
161	K	90.4	Very high	80.4	Confident	77 Å²	77	79.4 Å²	79.4	34%	0.335	40%	0.397	S	S	.	.	H	α-helix	trans	-62.9	-23	173.1	-84.3	170.6	177	157.4	0	113.7	D157 V158 L165 Q226	D157-K161 WeakPolarHBondContact O-CB 3.46Å; D157-K161 WeakPolarHBondContact O-CD 3.47Å; D157-K161 WeakPolarHBondContact O-CG 3.37Å; D157-K161 PolarHBondContact O-N 3.46Å; D157-K161 WeakPolarHBondContact OD1-CE 3.47Å; D157-K161 IonicContact OD1-NZ 2.72Å; D157-K161 PolarHBondContact OD1-NZ 3.31Å; D157-K161 IonicContact OD2-NZ 3.7Å; D157-K161 PolarHBondContact OD2-NZ 2.92Å; V158-K161 WeakPolarHBondContact O-CB 3.46Å; V158-K161 PolarHBondContact O-N 2.98Å; K161-L165 WeakPolarHBondContact O-CG 3.38Å; K161-L165 PolarHBondContact O-N 2.91Å; K161-Q226 HydrophobicContact CB-CG 4.27Å; K161-Q226 PolarHBondContact O-NE2 2.91Å; K161-Q226 VanDerWaalsContact O-NE2 3.16Å
162	V	93.4	Very high	82.8	Confident	0 Å²	0	82.1 Å²	82.1	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-82.6	-38.3	173	168.8	0	0	0	0	111	V158 D159 D160 E164 L165 M166 R219 R223 Q226	V158-V162 VanDerWaalsContact O-CG2 3.27Å; V158-V162 WeakPolarHBondContact O-CG2 3.33Å; V158-V162 PolarHBondContact O-N 3.49Å; D159-V162 WeakPolarHBondContact O-CB 3.48Å; D159-V162 PolarHBondContact O-N 2.77Å; D159-V162 VanDerWaalsContact O-N 3.14Å; D160-V162 PolarHBondContact O-N 3.46Å; V162-E164 VanDerWaalsContact C-N 3.33Å; V162-E164 PolarHBondContact O-N 2.91Å; V162-L165 WeakPolarHBondContact O-CB 3.34Å; V162-L165 PolarHBondContact O-N 3.02Å; V162-L165 VanDerWaalsContact O-N 3.16Å; V162-M166 HydrophobicContact CG1-CG 4.49Å; V162-M166 WeakPolarHBondContact O-CG 3.21Å; V162-M166 PolarHBondContact O-N 2.99Å; V162-R219 HydrophobicContact CG1-CB 4.44Å; V162-R219 HydrophobicContact CG1-CG 3.52Å; V162-R223 VanDerWaalsContact CG2-CA 3.44Å; V162-R223 HydrophobicContact CG2-CB 3.87Å; V162-R223 HydrophobicContact CG2-CG 4.3Å; V162-Q226 HydrophobicContact CG2-CG 4.34Å
163	E	93.3	Very high	84.8	Confident	95 Å²	95	78.9 Å²	78.9	44%	0.444	39%	0.387	S	S	.	.	H	α-helix	trans	-60.6	-43.1	174.6	-156.4	62.2	-123.2	0	0	111.5	D159 D160 L165 M166 R167 R219	D159-E163 PolarHBondContact O-N 3.31Å; D160-E163 WeakPolarHBondContact O-CB 3.26Å; D160-E163 PolarHBondContact O-N 3.15Å; D160-E163 VanDerWaalsContact O-N 3.15Å; E163-L165 VanDerWaalsContact C-N 3.33Å; E163-L165 PolarHBondContact O-N 3.16Å; E163-M166 WeakPolarHBondContact O-CB 3.39Å; E163-M166 PolarHBondContact O-N 3.26Å; E163-M166 VanDerWaalsContact O-N 3.09Å; E163-R167 PolarHBondContact O-N 3.4Å; E163-R219 IonicContact OE1-NH1 3.1Å; E163-R219 IonicContact OE2-CZ 3.12Å; E163-R219 IonicContact OE2-NH1 3.29Å; E163-R219 PolarHBondContact OE2-NH1 2.87Å; E163-R219 IonicContact OE2-NH2 3.76Å; E163-R219 PolarHBondContact OE2-NH2 2.92Å
164	E	93.6	Very high	86.9	Confident	79 Å²	79	71.3 Å²	71.3	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-64.7	-34.1	174.6	176.3	58.6	-165.4	0	0	112.5	D160 V162 R167 R168	D160-E164 PolarHBondContact O-N 2.85Å; V162-E164 VanDerWaalsContact C-N 3.33Å; V162-E164 PolarHBondContact O-N 2.91Å; E164-R167 PolarHBondContact O-N 3Å; E164-R168 VanDerWaalsContact CG-CZ 3.45Å; E164-R168 WeakPolarHBondContact O-CG 3.23Å; E164-R168 PolarHBondContact O-N 3.09Å; E164-R168 IonicContact OE1-CZ 2.65Å; E164-R168 IonicContact OE1-NE 3.77Å; E164-R168 PolarHBondContact OE1-NE 3.42Å; E164-R168 IonicContact OE1-NH2 3.21Å; E164-R168 PolarHBondContact OE1-NH2 3.45Å
165	L	93.7	Very high	88.6	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-69.9	-31.1	171.1	-74.7	175.5	0	0	0	113	K161 V162 E163 R167 I173 Y222 Y225 Q226	K161-L165 WeakPolarHBondContact O-CG 3.38Å; K161-L165 PolarHBondContact O-N 2.91Å; V162-L165 WeakPolarHBondContact O-CB 3.34Å; V162-L165 PolarHBondContact O-N 3.02Å; V162-L165 VanDerWaalsContact O-N 3.16Å; E163-L165 VanDerWaalsContact C-N 3.33Å; E163-L165 PolarHBondContact O-N 3.16Å; L165-R167 VanDerWaalsContact C-N 3.32Å; L165-I173 HydrophobicContact CD2-CD1 3.51Å; L165-I173 HydrophobicContact CD2-CG1 4.1Å; L165-I173 HydrophobicContact CD2-CG2 4.18Å; L165-Y222 HydrophobicContact CB-CD2 3.62Å; L165-Y222 HydrophobicContact CB-CE2 4.08Å; L165-Y222 HydrophobicContact CB-CG 4.19Å; L165-Y222 HydrophobicContact CD1-CG 4.26Å; L165-Y222 WeakPolarHBondContact O-CE2 3.44Å; L165-Y225 HydrophobicContact CD1-CD1 3.94Å; L165-Y225 HydrophobicContact CD1-CE1 4.34Å; L165-Q226 HydrophobicContact CD1-CG 3.61Å
166	M	93.1	Very high	90.3	Very high	43 Å²	43	68.6 Å²	68.6	21%	0.212	34%	0.337	C	S	.	.	H	α-helix	trans	-70.6	-29.3	174.1	-71.7	-66.3	-60.6	0	0	112.2	V162 E163 E215 K218 Y222	V162-M166 HydrophobicContact CG1-CG 4.49Å; V162-M166 WeakPolarHBondContact O-CG 3.21Å; V162-M166 PolarHBondContact O-N 2.99Å; E163-M166 WeakPolarHBondContact O-CB 3.39Å; E163-M166 PolarHBondContact O-N 3.26Å; E163-M166 VanDerWaalsContact O-N 3.09Å; M166-E215 HydrophobicContact CE-CG 3.76Å; M166-E215 VanDerWaalsContact CE-OE1 3.3Å; M166-E215 WeakPolarHBondContact CE-OE1 3.31Å; M166-K218 HydrophobicContact CE-CB 4.25Å; M166-K218 HydrophobicContact CE-CD 4.23Å; M166-K218 HydrophobicContact SD-CB 3.54Å; M166-K218 VanDerWaalsContact SD-CB 3.54Å; M166-K218 HydrophobicContact SD-CD 4.12Å; M166-K218 HydrophobicContact SD-CG 4.5Å; M166-Y222 HydrophobicContact CG-CD2 4.15Å; M166-Y222 HydrophobicContact CG-CE2 4.39Å; M166-Y222 HydrophobicContact SD-CD2 3.78Å; M166-Y222 HydrophobicContact SD-CE2 3.72Å
167	R	94.3	Very high	91.8	Very high	216 Å²	216	63.7 Å²	63.7	82%	0.815	31%	0.311	S	S	*	.	H	α-helix	trans	-82.3	-19.9	178.7	-164.2	-179.1	170.8	92.5	6.4	114	E163 E164 L165	E163-R167 PolarHBondContact O-N 3.4Å; E164-R167 PolarHBondContact O-N 3Å; L165-R167 VanDerWaalsContact C-N 3.32Å
168	R	93.9	Very high	92.5	Very high	123 Å²	123	64.1 Å²	64.1	46%	0.464	31%	0.31	S	S	.	.	S	Bend	trans	-79	164	179.1	-78	171.8	-172.1	166.1	3.3	113.1	E164 S170 I173	E164-R168 VanDerWaalsContact CG-CZ 3.45Å; E164-R168 WeakPolarHBondContact O-CG 3.23Å; E164-R168 PolarHBondContact O-N 3.09Å; E164-R168 IonicContact OE1-CZ 2.65Å; E164-R168 IonicContact OE1-NE 3.77Å; E164-R168 PolarHBondContact OE1-NE 3.42Å; E164-R168 IonicContact OE1-NH2 3.21Å; E164-R168 PolarHBondContact OE1-NH2 3.45Å; R168-S170 PolarHBondContact O-N 3.11Å; R168-I173 HydrophobicContact CB-CD1 4Å; R168-I173 HydrophobicContact CB-CG1 3.89Å
169	D	92.3	Very high	93	Very high	96 Å²	96	66.8 Å²	66.8	51%	0.513	33%	0.332	S	S	.	.			trans	-59.4	120.7	176.1	-172.4	-68.9	0	0	0	111.1	S171 V172 I173	D169-S171 PolarHBondContact O-N 2.95Å; D169-S171 WeakPolarHBondContact OD1-CA 3.07Å; D169-S171 VanDerWaalsContact OD1-CB 3.25Å; D169-S171 WeakPolarHBondContact OD1-CB 3.26Å; D169-S171 PolarHBondContact OD1-N 3.04Å; D169-S171 PolarHBondContact OD1-OG 3.32Å; D169-V172 HydrophobicContact CB-CB 4.28Å; D169-V172 HydrophobicContact CB-CG2 3.93Å; D169-V172 PolarHBondContact O-N 3.41Å; D169-V172 PolarHBondContact OD1-N 3.35Å; D169-I173 PolarHBondContact O-N 3.35Å; D169-I173 VanDerWaalsContact O-N 3.09Å
170	S	90.9	Very high	93.4	Very high	33 Å²	33	65.2 Å²	65.2	23%	0.231	32%	0.323	C	S	.	.	H	α-helix	trans	-69.8	-14.5	-173.2	-164.9	0	0	0	0	113.7	R168 K174 K218	R168-S170 PolarHBondContact O-N 3.11Å; S170-K174 VanDerWaalsContact O-CB 3.27Å; S170-K174 WeakPolarHBondContact O-CB 3.35Å; S170-K174 PolarHBondContact O-N 2.94Å; S170-K218 PolarHBondContact OG-NZ 3.47Å; S170-K218 VanDerWaalsContact OG-NZ 3.12Å
171	S	91.7	Very high	93.5	Very high	73 Å²	73	60.1 Å²	60.1	51%	0.51	30%	0.295	S	S	.	.	H	α-helix	trans	-80.8	-42.3	172.1	75	0	0	0	0	111.2	D169 K174 E175	D169-S171 PolarHBondContact O-N 2.95Å; D169-S171 WeakPolarHBondContact OD1-CA 3.07Å; D169-S171 VanDerWaalsContact OD1-CB 3.25Å; D169-S171 WeakPolarHBondContact OD1-CB 3.26Å; D169-S171 PolarHBondContact OD1-N 3.04Å; D169-S171 PolarHBondContact OD1-OG 3.32Å; S171-K174 WeakPolarHBondContact O-CB 3.18Å; S171-K174 PolarHBondContact O-N 2.91Å; S171-E175 PolarHBondContact O-N 2.82Å
172	V	93.2	Very high	93.5	Very high	89 Å²	89	59.9 Å²	59.9	54%	0.539	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-48.6	175.1	178.8	0	0	0	0	110.3	D169 K174 E175 E176	D169-V172 HydrophobicContact CB-CB 4.28Å; D169-V172 HydrophobicContact CB-CG2 3.93Å; D169-V172 PolarHBondContact O-N 3.41Å; D169-V172 PolarHBondContact OD1-N 3.35Å; V172-K174 VanDerWaalsContact C-N 3.3Å; V172-K174 PolarHBondContact O-N 3.36Å; V172-E175 PolarHBondContact O-N 3.1Å; V172-E176 WeakPolarHBondContact O-CB 3.45Å; V172-E176 PolarHBondContact O-N 3.21Å
173	I	94.6	Very high	93.5	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-65.1	-33.7	177.5	-58.3	-47	0	0	0	111.8	L165 R168 D169 I177 Y222	L165-I173 HydrophobicContact CD2-CD1 3.51Å; L165-I173 HydrophobicContact CD2-CG1 4.1Å; L165-I173 HydrophobicContact CD2-CG2 4.18Å; R168-I173 HydrophobicContact CB-CD1 4Å; R168-I173 HydrophobicContact CB-CG1 3.89Å; D169-I173 PolarHBondContact O-N 3.35Å; D169-I173 VanDerWaalsContact O-N 3.09Å; I173-I177 HydrophobicContact CG2-CD1 3.72Å; I173-I177 HydrophobicContact CG2-CG1 4.28Å; I173-I177 WeakPolarHBondContact O-CB 3.13Å; I173-I177 VanDerWaalsContact O-CG1 3.26Å; I173-I177 WeakPolarHBondContact O-CG1 3.39Å; I173-I177 PolarHBondContact O-N 3.31Å; I173-Y222 HydrophobicContact CG2-CD1 4.35Å; I173-Y222 HydrophobicContact CG2-CE1 3.71Å; I173-Y222 HydrophobicContact CG2-CE2 4.36Å
174	K	94.5	Very high	93.2	Very high	16 Å²	16	66.3 Å²	66.3	7%	0.07	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-48.5	175	-178.5	-174.3	-65	-167.4	0	111.4	S170 S171 V172 I177 K178 W205 L206 S211	S170-K174 VanDerWaalsContact O-CB 3.27Å; S170-K174 WeakPolarHBondContact O-CB 3.35Å; S170-K174 PolarHBondContact O-N 2.94Å; S171-K174 WeakPolarHBondContact O-CB 3.18Å; S171-K174 PolarHBondContact O-N 2.91Å; V172-K174 VanDerWaalsContact C-N 3.3Å; V172-K174 PolarHBondContact O-N 3.36Å; K174-I177 PolarHBondContact O-N 3.26Å; K174-K178 WeakPolarHBondContact O-CB 3.46Å; K174-K178 PolarHBondContact O-N 2.91Å; K174-W205 HydrophobicContact CB-CH2 3.93Å; K174-W205 HydrophobicContact CB-CZ2 3.97Å; K174-W205 VanDerWaalsContact CD-O 3.32Å; K174-W205 WeakPolarHBondContact CD-O 3.45Å; K174-W205 WeakPolarHBondContact CE-O 3.46Å; K174-W205 HydrophobicContact CG-CE3 4.41Å; K174-W205 HydrophobicContact CG-CH2 4.08Å; K174-W205 HydrophobicContact CG-CZ2 4.19Å; K174-W205 HydrophobicContact CG-CZ3 4.18Å; K174-W205 PolarHBondContact NZ-O 2.91Å; K174-L206 HydrophobicContact CG-CD2 4.38Å; K174-S211 PolarHBondContact NZ-O 2.88Å
175	E	94.4	Very high	93.1	Very high	83 Å²	83	73.5 Å²	73.5	39%	0.388	36%	0.363	S	S	.	.	H	α-helix	trans	-69.4	-35.7	179.1	-66.9	-59.5	129.3	0	0	112.1	S171 V172 K178 A179	S171-E175 PolarHBondContact O-N 2.82Å; V172-E175 PolarHBondContact O-N 3.1Å; E175-K178 PolarHBondContact O-N 3.31Å; E175-K178 WeakPolarHBondContact OE1-CD 3.27Å; E175-K178 IonicContact OE1-NZ 2.81Å; E175-K178 PolarHBondContact OE1-NZ 3.39Å; E175-K178 WeakPolarHBondContact OE2-CD 3.4Å; E175-K178 IonicContact OE2-NZ 2.69Å; E175-K178 PolarHBondContact OE2-NZ 3.2Å; E175-A179 WeakPolarHBondContact O-CB 3.32Å; E175-A179 PolarHBondContact O-N 3.27Å
176	E	95.2	Very high	92.9	Very high	67 Å²	67	74.5 Å²	74.5	31%	0.313	37%	0.368	S	S	.	.	H	α-helix	trans	-59.9	-49.1	172.3	-170.5	-174.2	175.1	0	0	111.6	V172 A179 F180 Y225 K229	V172-E176 WeakPolarHBondContact O-CB 3.45Å; V172-E176 PolarHBondContact O-N 3.21Å; E176-A179 PolarHBondContact O-N 3.43Å; E176-F180 WeakPolarHBondContact O-CB 3.25Å; E176-F180 PolarHBondContact O-N 3.31Å; E176-Y225 VanDerWaalsContact CD-OH 3.27Å; E176-Y225 WeakPolarHBondContact CG-OH 3.47Å; E176-Y225 PolarHBondContact OE1-OH 3.47Å; E176-K229 IonicContact OE1-NZ 3.55Å; E176-K229 PolarHBondContact OE1-NZ 3.47Å
177	I	94.5	Very high	92.8	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-65.7	-39.4	178.1	-69.3	174.3	0	0	0	110.9	I173 K174 F180 L181 W205 F221 Y222 Y225	I173-I177 HydrophobicContact CG2-CD1 3.72Å; I173-I177 HydrophobicContact CG2-CG1 4.28Å; I173-I177 WeakPolarHBondContact O-CB 3.13Å; I173-I177 VanDerWaalsContact O-CG1 3.26Å; I173-I177 WeakPolarHBondContact O-CG1 3.39Å; I173-I177 PolarHBondContact O-N 3.31Å; K174-I177 PolarHBondContact O-N 3.26Å; I177-F180 PolarHBondContact O-N 3.2Å; I177-L181 HydrophobicContact CG2-CD1 4.14Å; I177-L181 HydrophobicContact CG2-CG 4.37Å; I177-L181 VanDerWaalsContact O-CG 3.26Å; I177-L181 WeakPolarHBondContact O-CG 3.49Å; I177-L181 PolarHBondContact O-N 3.01Å; I177-W205 HydrophobicContact CD1-CH2 4.36Å; I177-F221 HydrophobicContact CG2-CE1 4.36Å; I177-F221 HydrophobicContact CG2-CE2 4.1Å; I177-F221 HydrophobicContact CG2-CZ 3.74Å; I177-Y222 HydrophobicContact CD1-CD1 3.77Å; I177-Y222 HydrophobicContact CD1-CE1 3.79Å; I177-Y225 HydrophobicContact CD1-CD1 4.05Å; I177-Y225 HydrophobicContact CD1-CG 4.03Å; I177-Y225 HydrophobicContact CG1-CD1 3.88Å; I177-Y225 HydrophobicContact CG1-CD2 3.85Å; I177-Y225 HydrophobicContact CG1-CE1 4.04Å; I177-Y225 HydrophobicContact CG1-CE2 3.99Å; I177-Y225 HydrophobicContact CG1-CG 3.79Å
178	K	94.3	Very high	92.7	Very high	73 Å²	73	67 Å²	67	32%	0.317	35%	0.348	S	S	.	.	H	α-helix	trans	-62.3	-46	177	-177.4	177.1	161.9	-152.4	0	111.8	K174 E175 L181 A182 L206	K174-K178 WeakPolarHBondContact O-CB 3.46Å; K174-K178 PolarHBondContact O-N 2.91Å; E175-K178 PolarHBondContact O-N 3.31Å; E175-K178 WeakPolarHBondContact OE1-CD 3.27Å; E175-K178 IonicContact OE1-NZ 2.81Å; E175-K178 PolarHBondContact OE1-NZ 3.39Å; E175-K178 WeakPolarHBondContact OE2-CD 3.4Å; E175-K178 IonicContact OE2-NZ 2.69Å; E175-K178 PolarHBondContact OE2-NZ 3.2Å; K178-L181 PolarHBondContact O-N 2.99Å; K178-A182 PolarHBondContact O-N 3.12Å; K178-A182 VanDerWaalsContact O-N 3.11Å; K178-L206 HydrophobicContact CB-CD2 4.08Å
179	A	94.3	Very high	92.5	Very high	61 Å²	61	63.3 Å²	63.3	50%	0.504	34%	0.344	S	S	.	.	H	α-helix	trans	-63.8	-41.9	174.3	0	0	0	0	0	111.9	E175 E176 A182 N183	E175-A179 WeakPolarHBondContact O-CB 3.32Å; E175-A179 PolarHBondContact O-N 3.27Å; E176-A179 PolarHBondContact O-N 3.43Å; A179-A182 PolarHBondContact O-N 3.09Å; A179-N183 VanDerWaalsContact O-CB 3.29Å; A179-N183 WeakPolarHBondContact O-CB 3.33Å; A179-N183 PolarHBondContact O-N 2.56Å
180	F	94.8	Very high	92.4	Very high	23 Å²	23	60.8 Å²	60.8	10%	0.101	33%	0.332	C	S	.	.	H	α-helix	trans	-59.7	-47	175.8	175.7	-95.8	0	0	0	112.8	E176 I177 A182 N183 R184 I186 W224 Y225 E228 K229	E176-F180 WeakPolarHBondContact O-CB 3.25Å; E176-F180 PolarHBondContact O-N 3.31Å; I177-F180 PolarHBondContact O-N 3.2Å; F180-A182 VanDerWaalsContact C-N 3.35Å; F180-A182 PolarHBondContact O-N 3.01Å; F180-N183 PolarHBondContact O-N 2.78Å; F180-R184 WeakPolarHBondContact O-CB 3.32Å; F180-R184 PolarHBondContact O-N 3.13Å; F180-I186 HydrophobicContact CE1-CD1 3.97Å; F180-W224 HydrophobicContact CE1-CH2 4.22Å; F180-Y225 HydrophobicContact CB-CE2 3.87Å; F180-Y225 AromaticContact CD1-CD2 3.83Å; F180-Y225 HydrophobicContact CD1-CD2 3.83Å; F180-Y225 AromaticContact CD1-CE2 3.71Å; F180-Y225 HydrophobicContact CD1-CE2 3.71Å; F180-Y225 AromaticContact CD2-CE2 3.84Å; F180-Y225 HydrophobicContact CD2-CE2 3.84Å; F180-Y225 AromaticContact CE1-CD2 3.96Å; F180-Y225 HydrophobicContact CE1-CD2 3.96Å; F180-Y225 HydrophobicContact CE1-CE2 4.11Å; F180-Y225 HydrophobicContact CE2-CE2 4.21Å; F180-Y225 HydrophobicContact CG-CD2 4.17Å; F180-Y225 AromaticContact CG-CE2 3.56Å; F180-Y225 HydrophobicContact CG-CE2 3.56Å; F180-Y225 HydrophobicContact CZ-CD2 4.4Å; F180-Y225 HydrophobicContact CZ-CE2 4.33Å; F180-E228 HydrophobicContact CE1-CB 4.32Å; F180-E228 HydrophobicContact CE1-CG 4.06Å; F180-E228 HydrophobicContact CZ-CB 4.15Å; F180-E228 HydrophobicContact CZ-CG 3.96Å; F180-K229 HydrophobicContact CE2-CB 4.18Å; F180-K229 HydrophobicContact CE2-CG 4.33Å; F180-K229 HydrophobicContact CZ-CB 4.39Å
181	L	93.4	Very high	92.4	Very high	11 Å²	11	59.2 Å²	59.2	6%	0.058	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-42.4	177.2	-70.4	174.2	0	0	0	111.7	I177 K178 R185 I186 V191 L206 F221 W224	I177-L181 HydrophobicContact CG2-CD1 4.14Å; I177-L181 HydrophobicContact CG2-CG 4.37Å; I177-L181 VanDerWaalsContact O-CG 3.26Å; I177-L181 WeakPolarHBondContact O-CG 3.49Å; I177-L181 PolarHBondContact O-N 3.01Å; K178-L181 PolarHBondContact O-N 2.99Å; L181-R185 CarbonylContact O-C 3.57Å; L181-R185 WeakPolarHBondContact O-CA 3.25Å; L181-R185 PolarHBondContact O-N 2.77Å; L181-I186 HydrophobicContact CD2-CB 3.75Å; L181-I186 HydrophobicContact CD2-CG2 3.74Å; L181-I186 PolarHBondContact O-N 2.77Å; L181-V191 HydrophobicContact CD2-CG2 3.67Å; L181-L206 HydrophobicContact CD1-CD1 3.71Å; L181-F221 HydrophobicContact CD1-CZ 4.45Å; L181-W224 HydrophobicContact CD2-CH2 3.62Å; L181-W224 HydrophobicContact CD2-CZ3 4.04Å
182	A	91	Very high	92.4	Very high	73 Å²	73	56.6 Å²	56.6	60%	0.603	30%	0.303	S	S	*	.	H	α-helix	trans	-64.9	-51.2	176.9	0	0	0	0	0	111.8	K178 A179 F180 R184 R185	K178-A182 PolarHBondContact O-N 3.12Å; K178-A182 VanDerWaalsContact O-N 3.11Å; A179-A182 PolarHBondContact O-N 3.09Å; F180-A182 VanDerWaalsContact C-N 3.35Å; F180-A182 PolarHBondContact O-N 3.01Å; A182-R184 PolarHBondContact O-N 3.2Å; A182-R185 PolarHBondContact O-N 3.2Å; A182-R185 VanDerWaalsContact O-N 3.09Å
183	N	92.8	Very high	92.1	Very high	141 Å²	141	59 Å²	59	75%	0.754	31%	0.309	S	S	*	.	H	α-helix	trans	-61.5	-41	-177.8	-173.1	48.5	0	0	0	112.4	A179 F180 R185	A179-N183 VanDerWaalsContact O-CB 3.29Å; A179-N183 WeakPolarHBondContact O-CB 3.33Å; A179-N183 PolarHBondContact O-N 2.56Å; F180-N183 PolarHBondContact O-N 2.78Å; N183-R185 VanDerWaalsContact C-N 3.34Å
184	R	87.8	Confident	91.7	Very high	89 Å²	89	61.7 Å²	61.7	34%	0.336	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3.8	176.8	-66.3	-165.6	174.1	-172.9	7.9	114.4	F180 A182 I186 E228 K229	F180-R184 WeakPolarHBondContact O-CB 3.32Å; F180-R184 PolarHBondContact O-N 3.13Å; A182-R184 PolarHBondContact O-N 3.2Å; R184-I186 HydrophobicContact CB-CD1 3.8Å; R184-I186 HydrophobicContact CB-CG1 3.8Å; R184-I186 PolarHBondContact O-N 3.47Å; R184-I186 VanDerWaalsContact O-N 3.15Å; R184-E228 PolarHBondContact NH1-O 2.73Å; R184-K229 PolarHBondContact NH2-O 3Å
185	R	90.2	Very high	91.5	Very high	230 Å²	230	62 Å²	62	87%	0.868	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	30.9	-177	-56.7	-174.7	175.1	-149.5	-2	114	L181 A182 N183 S187	L181-R185 CarbonylContact O-C 3.57Å; L181-R185 WeakPolarHBondContact O-CA 3.25Å; L181-R185 PolarHBondContact O-N 2.77Å; A182-R185 PolarHBondContact O-N 3.2Å; A182-R185 VanDerWaalsContact O-N 3.09Å; N183-R185 VanDerWaalsContact C-N 3.34Å; R185-S187 PolarHBondContact O-N 3.18Å
186	I	89.1	Confident	91.2	Very high	22 Å²	22	61.1 Å²	61.1	11%	0.113	34%	0.342	C	S	.	.			trans	-80.9	112.4	-178.9	-60.3	172.8	0	0	0	108.6	F180 L181 R184 V190 V191 W224 E228	F180-I186 HydrophobicContact CE1-CD1 3.97Å; L181-I186 HydrophobicContact CD2-CB 3.75Å; L181-I186 HydrophobicContact CD2-CG2 3.74Å; L181-I186 PolarHBondContact O-N 2.77Å; R184-I186 HydrophobicContact CB-CD1 3.8Å; R184-I186 HydrophobicContact CB-CG1 3.8Å; R184-I186 PolarHBondContact O-N 3.47Å; R184-I186 VanDerWaalsContact O-N 3.15Å; I186-V190 HydrophobicContact CG2-CG1 4.5Å; I186-V191 HydrophobicContact CG2-CG2 3.79Å; I186-W224 HydrophobicContact CD1-CH2 4.25Å; I186-W224 HydrophobicContact CD1-CZ2 4.34Å; I186-W224 HydrophobicContact CG2-CH2 4.13Å; I186-W224 HydrophobicContact CG2-CZ2 4.11Å; I186-E228 HydrophobicContact CD1-CG 3.95Å
187	S	91	Very high	91.1	Very high	60 Å²	60	58.2 Å²	58.2	42%	0.42	33%	0.328	S	S	.	.			trans	-69	142.1	176.6	76.3	0	0	0	0	111.8	R185 A189 V190 V191	R185-S187 PolarHBondContact O-N 3.18Å; S187-A189 PolarHBondContact O-N 3.19Å; S187-V190 WeakPolarHBondContact O-CB 3.39Å; S187-V190 PolarHBondContact O-N 2.79Å; S187-V190 WeakPolarHBondContact OG-CG2 3.42Å; S187-V190 PolarHBondContact OG-N 3.3Å; S187-V191 PolarHBondContact O-N 3.16Å
188	Q	92.3	Very high	91.1	Very high	42 Å²	42	61.2 Å²	61.2	20%	0.196	35%	0.349	C	S	.	.	H	α-helix	trans	-56	-24.4	174	-60.3	167.9	-7.5	0	0	112.9	A192 Q199 I202 S203 L206	Q188-A192 VanDerWaalsContact O-CB 3.23Å; Q188-A192 WeakPolarHBondContact O-CB 3.1Å; Q188-A192 PolarHBondContact O-N 2.73Å; Q188-Q199 HydrophobicContact CB-CG 3.82Å; Q188-I202 HydrophobicContact CB-CG2 4.27Å; Q188-I202 HydrophobicContact CG-CG2 4.15Å; Q188-S203 PolarHBondContact OE1-OG 3.23Å; Q188-L206 HydrophobicContact CG-CD1 4.17Å
189	A	90.7	Very high	91	Very high	46 Å²	46	61.7 Å²	61.7	38%	0.38	35%	0.353	S	S	.	.	H	α-helix	trans	-68.6	-33.8	176	0	0	0	0	0	112.6	S187 Q193 Q199	S187-A189 PolarHBondContact O-N 3.19Å; A189-Q193 VanDerWaalsContact O-CG 3.31Å; A189-Q193 WeakPolarHBondContact O-CG 3.32Å; A189-Q193 PolarHBondContact O-N 2.8Å; A189-Q193 PolarHBondContact O-NE2 3.22Å; A189-Q199 HydrophobicContact CB-CG 4.4Å
190	V	89.4	Confident	91	Very high	43 Å²	43	62.6 Å²	62.6	26%	0.261	36%	0.355	S	S	.	.	H	α-helix	trans	-70.7	-48.7	173.7	170.1	0	0	0	0	109.9	I186 S187 A192 Q193 V194 L236	I186-V190 HydrophobicContact CG2-CG1 4.5Å; S187-V190 WeakPolarHBondContact O-CB 3.39Å; S187-V190 PolarHBondContact O-N 2.79Å; S187-V190 WeakPolarHBondContact OG-CG2 3.42Å; S187-V190 PolarHBondContact OG-N 3.3Å; V190-A192 VanDerWaalsContact C-N 3.25Å; V190-A192 PolarHBondContact O-N 2.82Å; V190-Q193 WeakPolarHBondContact O-CB 3.3Å; V190-Q193 PolarHBondContact O-N 3.33Å; V190-V194 PolarHBondContact O-N 2.97Å; V190-L236 HydrophobicContact CG1-CD1 4.32Å; V190-L236 HydrophobicContact CG1-CD2 3.31Å; V190-L236 HydrophobicContact CG1-CG 4.47Å
191	V	91.1	Very high	91.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-54.5	-43.4	175.2	-173.3	0	0	0	0	111.5	L181 I186 S187 Q193 V194 T195 I202 F221 W224	L181-V191 HydrophobicContact CD2-CG2 3.67Å; I186-V191 HydrophobicContact CG2-CG2 3.79Å; S187-V191 PolarHBondContact O-N 3.16Å; V191-Q193 VanDerWaalsContact C-N 3.28Å; V191-Q193 PolarHBondContact O-N 3.03Å; V191-V194 PolarHBondContact O-N 2.94Å; V191-T195 HydrophobicContact CG1-CG2 3.91Å; V191-T195 WeakPolarHBondContact O-CB 3.45Å; V191-T195 WeakPolarHBondContact O-CG2 3.35Å; V191-T195 PolarHBondContact O-N 2.9Å; V191-T195 PolarHBondContact O-OG1 2.7Å; V191-I202 HydrophobicContact CB-CD1 3.95Å; V191-I202 HydrophobicContact CG1-CD1 3.74Å; V191-F221 HydrophobicContact CG1-CD2 3.81Å; V191-F221 HydrophobicContact CG1-CE2 3.34Å; V191-F221 HydrophobicContact CG1-CZ 4.04Å; V191-W224 HydrophobicContact CG1-CD2 4.2Å; V191-W224 HydrophobicContact CG1-CE3 3.96Å; V191-W224 HydrophobicContact CG1-CH2 4.4Å; V191-W224 HydrophobicContact CG1-CZ3 4.07Å; V191-W224 HydrophobicContact CG2-CH2 3.67Å; V191-W224 HydrophobicContact CG2-CZ2 3.93Å; V191-W224 HydrophobicContact CG2-CZ3 4.08Å
192	A	92.6	Very high	91.2	Very high	17 Å²	17	65 Å²	65	14%	0.14	36%	0.363	C	S	.	.	H	α-helix	trans	-62.4	-31.7	178.7	0	0	0	0	0	114	Q188 V190 G196 I197 Q199 I202	Q188-A192 VanDerWaalsContact O-CB 3.23Å; Q188-A192 WeakPolarHBondContact O-CB 3.1Å; Q188-A192 PolarHBondContact O-N 2.73Å; V190-A192 VanDerWaalsContact C-N 3.25Å; V190-A192 PolarHBondContact O-N 2.82Å; A192-G196 WeakPolarHBondContact O-CA 3.5Å; A192-G196 PolarHBondContact O-N 2.75Å; A192-I197 WeakPolarHBondContact CA-O 3.44Å; A192-I197 WeakPolarHBondContact CB-O 3.32Å; A192-Q199 HydrophobicContact CB-CB 3.78Å; A192-I202 HydrophobicContact CB-CD1 3.96Å
193	Q	86.8	Confident	91.4	Very high	141 Å²	141	63 Å²	63	66%	0.659	34%	0.344	S	S	*	.	H	α-helix	trans	-71.8	-42	177.5	-71.5	166.4	26.9	0	0	111.5	A189 V190 V191	A189-Q193 VanDerWaalsContact O-CG 3.31Å; A189-Q193 WeakPolarHBondContact O-CG 3.32Å; A189-Q193 PolarHBondContact O-N 2.8Å; A189-Q193 PolarHBondContact O-NE2 3.22Å; V190-Q193 WeakPolarHBondContact O-CB 3.3Å; V190-Q193 PolarHBondContact O-N 3.33Å; V191-Q193 VanDerWaalsContact C-N 3.28Å; V191-Q193 PolarHBondContact O-N 3.03Å
194	V	86.4	Confident	91.5	Very high	58 Å²	58	60.3 Å²	60.3	35%	0.352	33%	0.327	S	S	.	.	H	α-helix	trans	-77.7	-47.8	-177.4	-174.6	0	0	0	0	111.6	V190 V191 L236	V190-V194 PolarHBondContact O-N 2.97Å; V191-V194 PolarHBondContact O-N 2.94Å; V194-L236 HydrophobicContact CG2-CD2 4.13Å
195	T	89.9	Confident	91.9	Very high	22 Å²	22	56 Å²	56	14%	0.135	31%	0.311	C	S	.	.	H	α-helix	trans	-78.2	-18.3	-176.7	61.5	0	0	0	0	114.1	V191 I197 F221 W224	V191-T195 HydrophobicContact CG1-CG2 3.91Å; V191-T195 WeakPolarHBondContact O-CB 3.45Å; V191-T195 WeakPolarHBondContact O-CG2 3.35Å; V191-T195 PolarHBondContact O-N 2.9Å; V191-T195 PolarHBondContact O-OG1 2.7Å; T195-I197 PolarHBondContact O-N 3.5Å; T195-I197 PolarHBondContact OG1-N 2.82Å; T195-F221 HydrophobicContact CG2-CD2 4.27Å; T195-W224 HydrophobicContact CG2-CB 3.65Å; T195-W224 HydrophobicContact CG2-CD2 4.35Å; T195-W224 HydrophobicContact CG2-CG 3.84Å
196	G	88.5	Confident	92.1	Very high	65 Å²	65	45.5 Å²	45.5	67%	0.67	27%	0.271	S	S	*	.			trans	72	1.2	-171.5	0	0	0	0	0	114.8	A192	A192-G196 WeakPolarHBondContact O-CA 3.5Å; A192-G196 PolarHBondContact O-N 2.75Å
197	I	91.8	Very high	92.2	Very high	6 Å²	6	50 Å²	50	3%	0.031	30%	0.295	C	S	.	.			trans	-78	136.7	174.7	-53.4	167.8	0	0	0	108.1	A192 T195 Q199 R201 I202 L213 K217 F221	A192-I197 WeakPolarHBondContact CA-O 3.44Å; A192-I197 WeakPolarHBondContact CB-O 3.32Å; T195-I197 PolarHBondContact O-N 3.5Å; T195-I197 PolarHBondContact OG1-N 2.82Å; I197-Q199 PolarHBondContact O-N 2.66Å; I197-R201 HydrophobicContact CG2-CB 4.3Å; I197-R201 HydrophobicContact CG2-CG 4.34Å; I197-I202 HydrophobicContact CB-CD1 4.13Å; I197-I202 HydrophobicContact CB-CG1 3.99Å; I197-I202 HydrophobicContact CG2-CD1 4.33Å; I197-I202 HydrophobicContact CG2-CG1 3.63Å; I197-L213 HydrophobicContact CG2-CD2 4.46Å; I197-K217 HydrophobicContact CD1-CB 3.99Å; I197-K217 WeakPolarHBondContact CD1-O 3.43Å; I197-K217 HydrophobicContact CG1-CB 4.16Å; I197-K217 HydrophobicContact CG1-CG 4.19Å; I197-K217 HydrophobicContact CG2-CD 4.46Å; I197-F221 HydrophobicContact CD1-CB 3.76Å; I197-F221 HydrophobicContact CD1-CG 4.24Å
198	S	94.9	Very high	92.3	Very high	63 Å²	63	52.4 Å²	52.4	44%	0.441	30%	0.3	S	S	.	.			trans	-65.9	135.5	179.8	57.3	0	0	0	0	111.5	S200 R201 I202	S198-S200 PolarHBondContact O-N 3.4Å; S198-S200 VanDerWaalsContact O-N 3.16Å; S198-R201 WeakPolarHBondContact O-CA 3.39Å; S198-R201 WeakPolarHBondContact O-CB 3.31Å; S198-R201 PolarHBondContact O-N 3.27Å; S198-R201 VanDerWaalsContact OG-CB 3.27Å; S198-R201 WeakPolarHBondContact OG-CB 3.07Å; S198-I202 PolarHBondContact O-N 3.24Å
199	Q	92.6	Very high	92.1	Very high	83 Å²	83	57.4 Å²	57.4	39%	0.388	32%	0.323	S	S	.	.	H	α-helix	trans	-51.6	-42.2	-179.5	175.5	-81.6	-30.6	0	0	112.4	Q188 A189 A192 I197 R201 I202 S203	Q188-Q199 HydrophobicContact CB-CG 3.82Å; A189-Q199 HydrophobicContact CB-CG 4.4Å; A192-Q199 HydrophobicContact CB-CB 3.78Å; I197-Q199 PolarHBondContact O-N 2.66Å; Q199-R201 VanDerWaalsContact C-N 3.26Å; Q199-R201 PolarHBondContact O-N 3Å; Q199-I202 PolarHBondContact O-N 2.71Å; Q199-S203 WeakPolarHBondContact O-CB 3.27Å; Q199-S203 PolarHBondContact O-N 3.08Å
200	S	95.1	Very high	91.8	Very high	79 Å²	79	59.3 Å²	59.3	55%	0.552	35%	0.347	S	S	*	.	H	α-helix	trans	-62.6	-29.3	175.8	57.1	0	0	0	0	113.7	S198 H204	S198-S200 PolarHBondContact O-N 3.4Å; S198-S200 VanDerWaalsContact O-N 3.16Å; S200-H204 VanDerWaalsContact O-CB 3.28Å; S200-H204 WeakPolarHBondContact O-CB 3.42Å; S200-H204 PolarHBondContact O-N 3.04Å
201	R	95.7	Very high	91.9	Very high	86 Å²	86	57.9 Å²	57.9	33%	0.325	34%	0.339	S	S	.	.	H	α-helix	trans	-79.6	-35.6	176.1	-177.1	53.2	173.8	-171.6	-6.2	111.5	I197 S198 Q199 W205 D212 L213	I197-R201 HydrophobicContact CG2-CB 4.3Å; I197-R201 HydrophobicContact CG2-CG 4.34Å; S198-R201 WeakPolarHBondContact O-CA 3.39Å; S198-R201 WeakPolarHBondContact O-CB 3.31Å; S198-R201 PolarHBondContact O-N 3.27Å; S198-R201 VanDerWaalsContact OG-CB 3.27Å; S198-R201 WeakPolarHBondContact OG-CB 3.07Å; Q199-R201 VanDerWaalsContact C-N 3.26Å; Q199-R201 PolarHBondContact O-N 3Å; R201-W205 VanDerWaalsContact O-CB 3.31Å; R201-W205 WeakPolarHBondContact O-CB 3.49Å; R201-W205 PolarHBondContact O-N 2.7Å; R201-D212 PolarHBondContact NH2-O 2.93Å; R201-L213 HydrophobicContact CG-CD2 3.71Å
202	I	95.4	Very high	92	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-61.9	-48	169.2	-58.2	176	0	0	0	109.4	Q188 V191 A192 I197 S198 Q199 W205 L206 F221	Q188-I202 HydrophobicContact CB-CG2 4.27Å; Q188-I202 HydrophobicContact CG-CG2 4.15Å; V191-I202 HydrophobicContact CB-CD1 3.95Å; V191-I202 HydrophobicContact CG1-CD1 3.74Å; A192-I202 HydrophobicContact CB-CD1 3.96Å; I197-I202 HydrophobicContact CB-CD1 4.13Å; I197-I202 HydrophobicContact CB-CG1 3.99Å; I197-I202 HydrophobicContact CG2-CD1 4.33Å; I197-I202 HydrophobicContact CG2-CG1 3.63Å; S198-I202 PolarHBondContact O-N 3.24Å; Q199-I202 PolarHBondContact O-N 2.71Å; I202-W205 PolarHBondContact O-N 3.4Å; I202-L206 HydrophobicContact CG2-CD1 3.75Å; I202-L206 HydrophobicContact CG2-CG 4.31Å; I202-L206 WeakPolarHBondContact O-CB 3.49Å; I202-L206 WeakPolarHBondContact O-CG 3.36Å; I202-L206 PolarHBondContact O-N 2.71Å; I202-F221 HydrophobicContact CG2-CE1 4.05Å; I202-F221 HydrophobicContact CG2-CZ 3.96Å
203	S	95.8	Very high	92	Very high	29 Å²	29	60.8 Å²	60.8	20%	0.203	35%	0.352	C	S	.	.	H	α-helix	trans	-58.7	-50.7	177.5	-163.1	0	0	0	0	112.3	Q188 Q199 W205 L206 L207	Q188-S203 PolarHBondContact OE1-OG 3.23Å; Q199-S203 WeakPolarHBondContact O-CB 3.27Å; Q199-S203 PolarHBondContact O-N 3.08Å; S203-W205 VanDerWaalsContact C-N 3.3Å; S203-W205 PolarHBondContact O-N 2.72Å; S203-L206 PolarHBondContact O-N 3.45Å; S203-L207 WeakPolarHBondContact O-CB 3.32Å; S203-L207 WeakPolarHBondContact O-CG 3.39Å; S203-L207 PolarHBondContact O-N 3.23Å
204	H	94.9	Very high	92.3	Very high	85 Å²	85	56.9 Å²	56.9	39%	0.394	34%	0.34	S	S	.	.	H	α-helix	trans	-57.7	-44.5	175.8	-176.6	-59.1	0	0	0	111.2	S200 Q208 S211	S200-H204 VanDerWaalsContact O-CB 3.28Å; S200-H204 WeakPolarHBondContact O-CB 3.42Å; S200-H204 PolarHBondContact O-N 3.04Å; H204-Q208 WeakPolarHBondContact O-CB 3.39Å; H204-Q208 PolarHBondContact O-N 3.12Å; H204-S211 WeakPolarHBondContact CE1-CB 2.85Å; H204-S211 WeakPolarHBondContact ND1-CB 3.32Å; H204-S211 PolarHBondContact ND1-OG 2.87Å; H204-S211 PolarHBondContact O-OG 3.37Å
205	W	95.2	Very high	92.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-46.1	178.7	-179	69.2	0	0	0	112.6	K174 I177 R201 I202 S203 S211 D212 L213 F221 Y222	K174-W205 HydrophobicContact CB-CH2 3.93Å; K174-W205 HydrophobicContact CB-CZ2 3.97Å; K174-W205 VanDerWaalsContact CD-O 3.32Å; K174-W205 WeakPolarHBondContact CD-O 3.45Å; K174-W205 WeakPolarHBondContact CE-O 3.46Å; K174-W205 HydrophobicContact CG-CE3 4.41Å; K174-W205 HydrophobicContact CG-CH2 4.08Å; K174-W205 HydrophobicContact CG-CZ2 4.19Å; K174-W205 HydrophobicContact CG-CZ3 4.18Å; K174-W205 PolarHBondContact NZ-O 2.91Å; I177-W205 HydrophobicContact CD1-CH2 4.36Å; R201-W205 VanDerWaalsContact O-CB 3.31Å; R201-W205 WeakPolarHBondContact O-CB 3.49Å; R201-W205 PolarHBondContact O-N 2.7Å; I202-W205 PolarHBondContact O-N 3.4Å; S203-W205 VanDerWaalsContact C-N 3.3Å; S203-W205 PolarHBondContact O-N 2.72Å; W205-S211 WeakPolarHBondContact CA-OG 3.31Å; W205-S211 VanDerWaalsContact CD1-O 3.28Å; W205-S211 PolarHBondContact O-OG 3.15Å; W205-D212 PolarHBondContact NE1-OD1 3.33Å; W205-L213 HydrophobicContact CB-CD1 4.48Å; W205-L213 HydrophobicContact CB-CD2 4.1Å; W205-L213 HydrophobicContact CB-CG 4.02Å; W205-L213 HydrophobicContact CD2-CD1 3.84Å; W205-L213 HydrophobicContact CD2-CG 3.98Å; W205-L213 HydrophobicContact CE3-CD1 4.2Å; W205-L213 HydrophobicContact CG-CD1 3.99Å; W205-L213 HydrophobicContact CG-CD2 4.24Å; W205-L213 HydrophobicContact CG-CG 3.61Å; W205-F221 HydrophobicContact CE3-CD1 4.18Å; W205-F221 AromaticContact CE3-CE1 3.62Å; W205-F221 HydrophobicContact CE3-CE1 3.62Å; W205-F221 HydrophobicContact CH2-CE1 4.36Å; W205-F221 AromaticContact CZ3-CD1 3.92Å; W205-F221 HydrophobicContact CZ3-CD1 3.92Å; W205-F221 AromaticContact CZ3-CE1 3.4Å; W205-F221 HydrophobicContact CZ3-CE1 3.4Å; W205-F221 VanDerWaalsContact CZ3-CE1 3.4Å; W205-F221 HydrophobicContact CZ3-CZ 4.31Å; W205-Y222 HydrophobicContact CH2-CE1 4.27Å
206	L	94.5	Very high	92.8	Very high	8 Å²	8	67.6 Å²	67.6	4%	0.042	39%	0.385	C	S	.	.	H	α-helix	trans	-69.4	-31.6	-178.4	-70.4	171.3	0	0	0	113.7	K174 K178 L181 Q188 I202 S203	K174-L206 HydrophobicContact CG-CD2 4.38Å; K178-L206 HydrophobicContact CB-CD2 4.08Å; L181-L206 HydrophobicContact CD1-CD1 3.71Å; Q188-L206 HydrophobicContact CG-CD1 4.17Å; I202-L206 HydrophobicContact CG2-CD1 3.75Å; I202-L206 HydrophobicContact CG2-CG 4.31Å; I202-L206 WeakPolarHBondContact O-CB 3.49Å; I202-L206 WeakPolarHBondContact O-CG 3.36Å; I202-L206 PolarHBondContact O-N 2.71Å; S203-L206 PolarHBondContact O-N 3.45Å
207	L	92.3	Very high	93	Very high	117 Å²	117	68.7 Å²	68.7	61%	0.613	37%	0.371	S	S	*	.	H	α-helix	trans	-105.3	-32.8	-171	-59.5	178.7	0	0	0	114	S203	S203-L207 WeakPolarHBondContact O-CB 3.32Å; S203-L207 WeakPolarHBondContact O-CG 3.39Å; S203-L207 PolarHBondContact O-N 3.23Å
208	Q	93	Very high	93.1	Very high	111 Å²	111	69.6 Å²	69.6	52%	0.519	38%	0.375	S	S	.	.	S	Bend	trans	-87.2	119.5	-177.1	-171.9	63.4	48.8	0	0	110.7	H204 S211	H204-Q208 WeakPolarHBondContact O-CB 3.39Å; H204-Q208 PolarHBondContact O-N 3.12Å; Q208-S211 WeakPolarHBondContact O-CB 3.37Å; Q208-S211 PolarHBondContact O-N 2.84Å; Q208-S211 PolarHBondContact O-OG 3.29Å
209	Q	86.8	Confident	93.1	Very high	147 Å²	147	70.5 Å²	70.5	69%	0.687	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	145.8	173.9	-64.4	-62.8	2.4	0	0	111.7	S211	Q209-S211 PolarHBondContact O-N 2.69Å
210	G	85.4	Confident	93.1	Very high	85 Å²	85	68.5 Å²	68.5	88%	0.876	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	-2.2	-174.6	0	0	0	0	0	115.6
211	S	91.4	Very high	93.1	Very high	14 Å²	14	64.7 Å²	64.7	10%	0.098	34%	0.34	C	S	.	.			trans	-85.7	140.1	-179.5	79.4	0	0	0	0	112.7	K174 H204 W205 Q208 Q209	K174-S211 PolarHBondContact NZ-O 2.88Å; H204-S211 WeakPolarHBondContact CE1-CB 2.85Å; H204-S211 WeakPolarHBondContact ND1-CB 3.32Å; H204-S211 PolarHBondContact ND1-OG 2.87Å; H204-S211 PolarHBondContact O-OG 3.37Å; W205-S211 WeakPolarHBondContact CA-OG 3.31Å; W205-S211 VanDerWaalsContact CD1-O 3.28Å; W205-S211 PolarHBondContact O-OG 3.15Å; Q208-S211 WeakPolarHBondContact O-CB 3.37Å; Q208-S211 PolarHBondContact O-N 2.84Å; Q208-S211 PolarHBondContact O-OG 3.29Å; Q209-S211 PolarHBondContact O-N 2.69Å
212	D	92.1	Very high	93.1	Very high	71 Å²	71	60.8 Å²	60.8	38%	0.38	33%	0.325	S	S	.	.			trans	-132.1	156.4	-175.6	-155.1	14.5	0	0	0	115	R201 W205 K218	R201-D212 PolarHBondContact NH2-O 2.93Å; W205-D212 PolarHBondContact NE1-OD1 3.33Å; D212-K218 WeakPolarHBondContact OD1-CE 3.28Å; D212-K218 IonicContact OD1-NZ 2.74Å; D212-K218 PolarHBondContact OD1-NZ 2.71Å; D212-K218 WeakPolarHBondContact OD2-CE 3.33Å; D212-K218 IonicContact OD2-NZ 2.86Å; D212-K218 PolarHBondContact OD2-NZ 3.48Å
213	L	93.3	Very high	93	Very high	6 Å²	6	64.6 Å²	64.6	3%	0.031	34%	0.339	C	S	.	.			trans	-91	146.4	172.3	-69.8	174.7	0	0	0	110.4	I197 R201 W205 K217 K218 F221	I197-L213 HydrophobicContact CG2-CD2 4.46Å; R201-L213 HydrophobicContact CG-CD2 3.71Å; W205-L213 HydrophobicContact CB-CD1 4.48Å; W205-L213 HydrophobicContact CB-CD2 4.1Å; W205-L213 HydrophobicContact CB-CG 4.02Å; W205-L213 HydrophobicContact CD2-CD1 3.84Å; W205-L213 HydrophobicContact CD2-CG 3.98Å; W205-L213 HydrophobicContact CE3-CD1 4.2Å; W205-L213 HydrophobicContact CG-CD1 3.99Å; W205-L213 HydrophobicContact CG-CD2 4.24Å; W205-L213 HydrophobicContact CG-CG 3.61Å; L213-K217 HydrophobicContact CB-CB 4.22Å; L213-K218 HydrophobicContact CB-CG 3.82Å; L213-K218 WeakPolarHBondContact O-CE 3.32Å; L213-F221 HydrophobicContact CD1-CD1 3.72Å; L213-F221 HydrophobicContact CD1-CE1 4.43Å
214	S	93.9	Very high	92.8	Very high	59 Å²	59	63.6 Å²	63.6	41%	0.413	33%	0.331	S	S	.	.			trans	-60.1	144	167.4	55.8	0	0	0	0	109.9	Q216 K217 K218	S214-Q216 PolarHBondContact O-N 2.94Å; S214-K217 CarbonylContact O-C 3.58Å; S214-K217 WeakPolarHBondContact O-CA 3.36Å; S214-K217 WeakPolarHBondContact O-CB 3.36Å; S214-K217 PolarHBondContact O-N 3.24Å; S214-K217 WeakPolarHBondContact OG-CD 3.14Å; S214-K217 WeakPolarHBondContact OG-CG 3.33Å; S214-K218 PolarHBondContact O-N 3.05Å
215	E	93.2	Very high	92.7	Very high	141 Å²	141	59.7 Å²	59.7	66%	0.659	31%	0.313	S	S	*	.	H	α-helix	trans	-45.8	-50.2	-174.9	-177.3	143.3	-131.5	0	0	114.8	M166 K217 K218 R219	M166-E215 HydrophobicContact CE-CG 3.76Å; M166-E215 VanDerWaalsContact CE-OE1 3.3Å; M166-E215 WeakPolarHBondContact CE-OE1 3.31Å; E215-K217 PolarHBondContact O-N 2.9Å; E215-K217 VanDerWaalsContact O-N 3.13Å; E215-K218 WeakPolarHBondContact O-CA 3.15Å; E215-K218 WeakPolarHBondContact O-CB 3.32Å; E215-K218 PolarHBondContact O-N 3.13Å; E215-R219 PolarHBondContact O-N 2.89Å
216	Q	92.5	Very high	92.6	Very high	164 Å²	164	60.6 Å²	60.6	77%	0.766	32%	0.317	S	S	*	.	H	α-helix	trans	-55.3	-33.9	175.2	-169.7	-175	25.7	0	0	113.6	S214 A220	S214-Q216 PolarHBondContact O-N 2.94Å; Q216-A220 WeakPolarHBondContact O-CB 3.36Å; Q216-A220 PolarHBondContact O-N 3.19Å; Q216-A220 VanDerWaalsContact O-N 3.15Å
217	K	93.1	Very high	92.2	Very high	88 Å²	88	62.9 Å²	62.9	38%	0.383	33%	0.329	S	S	.	.	H	α-helix	trans	-81.2	-33.1	177	-65.9	177	-173.1	157.3	0	111.7	I197 L213 S214 E215 F221	I197-K217 HydrophobicContact CD1-CB 3.99Å; I197-K217 WeakPolarHBondContact CD1-O 3.43Å; I197-K217 HydrophobicContact CG1-CB 4.16Å; I197-K217 HydrophobicContact CG1-CG 4.19Å; I197-K217 HydrophobicContact CG2-CD 4.46Å; L213-K217 HydrophobicContact CB-CB 4.22Å; S214-K217 CarbonylContact O-C 3.58Å; S214-K217 WeakPolarHBondContact O-CA 3.36Å; S214-K217 WeakPolarHBondContact O-CB 3.36Å; S214-K217 PolarHBondContact O-N 3.24Å; S214-K217 WeakPolarHBondContact OG-CD 3.14Å; S214-K217 WeakPolarHBondContact OG-CG 3.33Å; E215-K217 PolarHBondContact O-N 2.9Å; E215-K217 VanDerWaalsContact O-N 3.13Å; K217-F221 VanDerWaalsContact O-CB 3.25Å; K217-F221 WeakPolarHBondContact O-CB 3.49Å; K217-F221 PolarHBondContact O-N 3.17Å
218	K	95.1	Very high	92	Very high	25 Å²	25	57.5 Å²	57.5	11%	0.109	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-54.3	168.1	-67.8	-167.8	-175.8	-166.9	0	110	M166 S170 D212 L213 S214 E215 A220 F221 Y222	M166-K218 HydrophobicContact CE-CB 4.25Å; M166-K218 HydrophobicContact CE-CD 4.23Å; M166-K218 HydrophobicContact SD-CB 3.54Å; M166-K218 VanDerWaalsContact SD-CB 3.54Å; M166-K218 HydrophobicContact SD-CD 4.12Å; M166-K218 HydrophobicContact SD-CG 4.5Å; S170-K218 PolarHBondContact OG-NZ 3.47Å; S170-K218 VanDerWaalsContact OG-NZ 3.12Å; D212-K218 WeakPolarHBondContact OD1-CE 3.28Å; D212-K218 IonicContact OD1-NZ 2.74Å; D212-K218 PolarHBondContact OD1-NZ 2.71Å; D212-K218 WeakPolarHBondContact OD2-CE 3.33Å; D212-K218 IonicContact OD2-NZ 2.86Å; D212-K218 PolarHBondContact OD2-NZ 3.48Å; L213-K218 HydrophobicContact CB-CG 3.82Å; L213-K218 WeakPolarHBondContact O-CE 3.32Å; S214-K218 PolarHBondContact O-N 3.05Å; E215-K218 WeakPolarHBondContact O-CA 3.15Å; E215-K218 WeakPolarHBondContact O-CB 3.32Å; E215-K218 PolarHBondContact O-N 3.13Å; K218-A220 VanDerWaalsContact C-N 3.34Å; K218-A220 PolarHBondContact O-N 3.49Å; K218-F221 CarbonylContact O-C 3.59Å; K218-F221 PolarHBondContact O-N 2.81Å; K218-Y222 HydrophobicContact CB-CD2 4.46Å; K218-Y222 HydrophobicContact CB-CE2 4.19Å; K218-Y222 HydrophobicContact CD-CE2 4.5Å; K218-Y222 WeakPolarHBondContact O-CB 3.45Å; K218-Y222 VanDerWaalsContact O-CG 3.27Å; K218-Y222 PolarHBondContact O-N 3.06Å
219	R	94.4	Very high	91.5	Very high	83 Å²	83	56.2 Å²	56.2	31%	0.313	29%	0.294	S	S	.	.	H	α-helix	trans	-55.5	-46.7	-179.6	-154	-178.2	-170.4	87.3	2.6	111.9	V162 E163 E215 F221 Y222 R223	V162-R219 HydrophobicContact CG1-CB 4.44Å; V162-R219 HydrophobicContact CG1-CG 3.52Å; E163-R219 IonicContact OE1-NH1 3.1Å; E163-R219 IonicContact OE2-CZ 3.12Å; E163-R219 IonicContact OE2-NH1 3.29Å; E163-R219 PolarHBondContact OE2-NH1 2.87Å; E163-R219 IonicContact OE2-NH2 3.76Å; E163-R219 PolarHBondContact OE2-NH2 2.92Å; E215-R219 PolarHBondContact O-N 2.89Å; R219-F221 PolarHBondContact O-N 3.46Å; R219-Y222 PolarHBondContact O-N 3.2Å; R219-R223 VanDerWaalsContact O-CB 3.25Å; R219-R223 WeakPolarHBondContact O-CB 3.49Å; R219-R223 PolarHBondContact O-N 3.34Å
220	A	92.8	Very high	91.2	Very high	40 Å²	40	53.1 Å²	53.1	33%	0.331	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-38.8	175.8	0	0	0	0	0	113.6	Q216 K218 W224	Q216-A220 WeakPolarHBondContact O-CB 3.36Å; Q216-A220 PolarHBondContact O-N 3.19Å; Q216-A220 VanDerWaalsContact O-N 3.15Å; K218-A220 VanDerWaalsContact C-N 3.34Å; K218-A220 PolarHBondContact O-N 3.49Å; A220-W224 PolarHBondContact O-N 2.87Å
221	F	94.4	Very high	90.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-74.2	-40.6	179	-164.7	-174.1	0	0	0	111.9	I177 L181 V191 T195 I197 I202 W205 L213 K217 K218 R219 W224 Y225	I177-F221 HydrophobicContact CG2-CE1 4.36Å; I177-F221 HydrophobicContact CG2-CE2 4.1Å; I177-F221 HydrophobicContact CG2-CZ 3.74Å; L181-F221 HydrophobicContact CD1-CZ 4.45Å; V191-F221 HydrophobicContact CG1-CD2 3.81Å; V191-F221 HydrophobicContact CG1-CE2 3.34Å; V191-F221 HydrophobicContact CG1-CZ 4.04Å; T195-F221 HydrophobicContact CG2-CD2 4.27Å; I197-F221 HydrophobicContact CD1-CB 3.76Å; I197-F221 HydrophobicContact CD1-CG 4.24Å; I202-F221 HydrophobicContact CG2-CE1 4.05Å; I202-F221 HydrophobicContact CG2-CZ 3.96Å; W205-F221 HydrophobicContact CE3-CD1 4.18Å; W205-F221 AromaticContact CE3-CE1 3.62Å; W205-F221 HydrophobicContact CE3-CE1 3.62Å; W205-F221 HydrophobicContact CH2-CE1 4.36Å; W205-F221 AromaticContact CZ3-CD1 3.92Å; W205-F221 HydrophobicContact CZ3-CD1 3.92Å; W205-F221 AromaticContact CZ3-CE1 3.4Å; W205-F221 HydrophobicContact CZ3-CE1 3.4Å; W205-F221 VanDerWaalsContact CZ3-CE1 3.4Å; W205-F221 HydrophobicContact CZ3-CZ 4.31Å; L213-F221 HydrophobicContact CD1-CD1 3.72Å; L213-F221 HydrophobicContact CD1-CE1 4.43Å; K217-F221 VanDerWaalsContact O-CB 3.25Å; K217-F221 WeakPolarHBondContact O-CB 3.49Å; K217-F221 PolarHBondContact O-N 3.17Å; K218-F221 CarbonylContact O-C 3.59Å; K218-F221 PolarHBondContact O-N 2.81Å; R219-F221 PolarHBondContact O-N 3.46Å; F221-W224 AromaticContact CD2-CE3 3.7Å; F221-W224 HydrophobicContact CD2-CE3 3.7Å; F221-W224 HydrophobicContact CD2-CZ3 4.24Å; F221-W224 AromaticContact CE2-CE3 3.64Å; F221-W224 HydrophobicContact CE2-CE3 3.64Å; F221-W224 AromaticContact CE2-CZ3 3.7Å; F221-W224 HydrophobicContact CE2-CZ3 3.7Å; F221-W224 PolarHBondContact O-N 3.22Å; F221-Y225 WeakPolarHBondContact O-CB 3.35Å; F221-Y225 PolarHBondContact O-N 3.42Å
222	Y	95.2	Very high	89.9	Confident	3 Å²	3	56.7 Å²	56.7	1%	0.012	29%	0.288	C	S	.	.	H	α-helix	trans	-68.7	-38.7	178.3	-67	-2	0	0	0	111.3	L165 M166 I173 I177 W205 K218 R219 Y225 Q226	L165-Y222 HydrophobicContact CB-CD2 3.62Å; L165-Y222 HydrophobicContact CB-CE2 4.08Å; L165-Y222 HydrophobicContact CB-CG 4.19Å; L165-Y222 HydrophobicContact CD1-CG 4.26Å; L165-Y222 WeakPolarHBondContact O-CE2 3.44Å; M166-Y222 HydrophobicContact CG-CD2 4.15Å; M166-Y222 HydrophobicContact CG-CE2 4.39Å; M166-Y222 HydrophobicContact SD-CD2 3.78Å; M166-Y222 HydrophobicContact SD-CE2 3.72Å; I173-Y222 HydrophobicContact CG2-CD1 4.35Å; I173-Y222 HydrophobicContact CG2-CE1 3.71Å; I173-Y222 HydrophobicContact CG2-CE2 4.36Å; I177-Y222 HydrophobicContact CD1-CD1 3.77Å; I177-Y222 HydrophobicContact CD1-CE1 3.79Å; W205-Y222 HydrophobicContact CH2-CE1 4.27Å; K218-Y222 HydrophobicContact CB-CD2 4.46Å; K218-Y222 HydrophobicContact CB-CE2 4.19Å; K218-Y222 HydrophobicContact CD-CE2 4.5Å; K218-Y222 WeakPolarHBondContact O-CB 3.45Å; K218-Y222 VanDerWaalsContact O-CG 3.27Å; K218-Y222 PolarHBondContact O-N 3.06Å; R219-Y222 PolarHBondContact O-N 3.2Å; Y222-Y225 WeakPolarHBondContact O-CB 3.5Å; Y222-Y225 PolarHBondContact O-N 2.94Å; Y222-Q226 WeakPolarHBondContact O-CG 3.47Å; Y222-Q226 PolarHBondContact O-N 3.24Å
223	R	93	Very high	88.5	Confident	80 Å²	80	54.5 Å²	54.5	30%	0.302	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-45.2	173.2	-163.2	177.9	-163.9	-92.5	7.7	111.6	D155 V158 D159 V162 R219 Y225 L227	D155-R223 VanDerWaalsContact CG-NH2 3.28Å; D155-R223 IonicContact OD1-CZ 4Å; D155-R223 IonicContact OD1-NH1 3.75Å; D155-R223 IonicContact OD1-NH2 3.52Å; D155-R223 PolarHBondContact OD1-NH2 3.03Å; D155-R223 IonicContact OD2-NH2 2.63Å; D155-R223 PolarHBondContact OD2-NH2 3.02Å; V158-R223 HydrophobicContact CG1-CG 3.8Å; D159-R223 IonicContact OD1-CZ 3.91Å; D159-R223 IonicContact OD1-NE 2.62Å; D159-R223 PolarHBondContact OD1-NE 2.99Å; D159-R223 IonicContact OD1-NH2 2.83Å; V162-R223 VanDerWaalsContact CG2-CA 3.44Å; V162-R223 HydrophobicContact CG2-CB 3.87Å; V162-R223 HydrophobicContact CG2-CG 4.3Å; R219-R223 VanDerWaalsContact O-CB 3.25Å; R219-R223 WeakPolarHBondContact O-CB 3.49Å; R219-R223 PolarHBondContact O-N 3.34Å; R223-Y225 VanDerWaalsContact C-N 3.34Å; R223-Y225 PolarHBondContact O-N 3.07Å; R223-L227 HydrophobicContact CG-CD1 4.34Å; R223-L227 WeakPolarHBondContact O-CB 3.22Å; R223-L227 VanDerWaalsContact O-CG 3.27Å; R223-L227 WeakPolarHBondContact O-CG 3.47Å; R223-L227 PolarHBondContact O-N 3.49Å; R223-L227 VanDerWaalsContact O-N 3.1Å
224	W	92.4	Very high	87	Confident	8 Å²	8	55.8 Å²	55.8	3%	0.03	29%	0.293	C	S	.	.	H	α-helix	trans	-59.2	-45	171.2	170.7	77	0	0	0	111.9	F180 L181 I186 V191 T195 A220 F221 Q226 L227 E228 T235	F180-W224 HydrophobicContact CE1-CH2 4.22Å; L181-W224 HydrophobicContact CD2-CH2 3.62Å; L181-W224 HydrophobicContact CD2-CZ3 4.04Å; I186-W224 HydrophobicContact CD1-CH2 4.25Å; I186-W224 HydrophobicContact CD1-CZ2 4.34Å; I186-W224 HydrophobicContact CG2-CH2 4.13Å; I186-W224 HydrophobicContact CG2-CZ2 4.11Å; V191-W224 HydrophobicContact CG1-CD2 4.2Å; V191-W224 HydrophobicContact CG1-CE3 3.96Å; V191-W224 HydrophobicContact CG1-CH2 4.4Å; V191-W224 HydrophobicContact CG1-CZ3 4.07Å; V191-W224 HydrophobicContact CG2-CH2 3.67Å; V191-W224 HydrophobicContact CG2-CZ2 3.93Å; V191-W224 HydrophobicContact CG2-CZ3 4.08Å; T195-W224 HydrophobicContact CG2-CB 3.65Å; T195-W224 HydrophobicContact CG2-CD2 4.35Å; T195-W224 HydrophobicContact CG2-CG 3.84Å; A220-W224 PolarHBondContact O-N 2.87Å; F221-W224 AromaticContact CD2-CE3 3.7Å; F221-W224 HydrophobicContact CD2-CE3 3.7Å; F221-W224 HydrophobicContact CD2-CZ3 4.24Å; F221-W224 AromaticContact CE2-CE3 3.64Å; F221-W224 HydrophobicContact CE2-CE3 3.64Å; F221-W224 AromaticContact CE2-CZ3 3.7Å; F221-W224 HydrophobicContact CE2-CZ3 3.7Å; F221-W224 PolarHBondContact O-N 3.22Å; W224-Q226 PolarHBondContact O-N 3.4Å; W224-L227 PolarHBondContact O-N 3.3Å; W224-E228 HydrophobicContact CH2-CB 4.49Å; W224-E228 HydrophobicContact CH2-CG 4.31Å; W224-E228 HydrophobicContact CZ2-CB 4.07Å; W224-E228 HydrophobicContact CZ2-CG 3.81Å; W224-E228 VanDerWaalsContact O-CB 3.32Å; W224-E228 WeakPolarHBondContact O-CB 3.46Å; W224-E228 PolarHBondContact O-N 3.12Å; W224-T235 PolarHBondContact NE1-OG1 3.01Å
225	Y	93.3	Very high	85.2	Confident	3 Å²	3	54.1 Å²	54.1	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-46.1	-179.2	169.4	-115.6	0	0	0	112	L165 E176 I177 F180 F221 Y222 R223 E228 K229	L165-Y225 HydrophobicContact CD1-CD1 3.94Å; L165-Y225 HydrophobicContact CD1-CE1 4.34Å; E176-Y225 VanDerWaalsContact CD-OH 3.27Å; E176-Y225 WeakPolarHBondContact CG-OH 3.47Å; E176-Y225 PolarHBondContact OE1-OH 3.47Å; I177-Y225 HydrophobicContact CD1-CD1 4.05Å; I177-Y225 HydrophobicContact CD1-CG 4.03Å; I177-Y225 HydrophobicContact CG1-CD1 3.88Å; I177-Y225 HydrophobicContact CG1-CD2 3.85Å; I177-Y225 HydrophobicContact CG1-CE1 4.04Å; I177-Y225 HydrophobicContact CG1-CE2 3.99Å; I177-Y225 HydrophobicContact CG1-CG 3.79Å; F180-Y225 HydrophobicContact CB-CE2 3.87Å; F180-Y225 AromaticContact CD1-CD2 3.83Å; F180-Y225 HydrophobicContact CD1-CD2 3.83Å; F180-Y225 AromaticContact CD1-CE2 3.71Å; F180-Y225 HydrophobicContact CD1-CE2 3.71Å; F180-Y225 AromaticContact CD2-CE2 3.84Å; F180-Y225 HydrophobicContact CD2-CE2 3.84Å; F180-Y225 AromaticContact CE1-CD2 3.96Å; F180-Y225 HydrophobicContact CE1-CD2 3.96Å; F180-Y225 HydrophobicContact CE1-CE2 4.11Å; F180-Y225 HydrophobicContact CE2-CE2 4.21Å; F180-Y225 HydrophobicContact CG-CD2 4.17Å; F180-Y225 AromaticContact CG-CE2 3.56Å; F180-Y225 HydrophobicContact CG-CE2 3.56Å; F180-Y225 HydrophobicContact CZ-CD2 4.4Å; F180-Y225 HydrophobicContact CZ-CE2 4.33Å; F221-Y225 WeakPolarHBondContact O-CB 3.35Å; F221-Y225 PolarHBondContact O-N 3.42Å; Y222-Y225 WeakPolarHBondContact O-CB 3.5Å; Y222-Y225 PolarHBondContact O-N 2.94Å; R223-Y225 VanDerWaalsContact C-N 3.34Å; R223-Y225 PolarHBondContact O-N 3.07Å; Y225-E228 PolarHBondContact O-N 3.22Å; Y225-K229 HydrophobicContact CE1-CD 4.17Å; Y225-K229 HydrophobicContact CE2-CD 4.39Å; Y225-K229 WeakPolarHBondContact O-CB 3.49Å; Y225-K229 PolarHBondContact O-N 2.81Å; Y225-K229 WeakPolarHBondContact OH-CE 3.36Å; Y225-K229 PolarHBondContact OH-NZ 2.74Å
226	Q	91.9	Very high	83.4	Confident	20 Å²	20	50.5 Å²	50.5	9%	0.093	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-45.1	178	-66	-69.8	42.5	0	0	111.8	K161 V162 L165 Y222 W224 E228 K229 T230	K161-Q226 HydrophobicContact CB-CG 4.27Å; K161-Q226 PolarHBondContact O-NE2 2.91Å; K161-Q226 VanDerWaalsContact O-NE2 3.16Å; V162-Q226 HydrophobicContact CG2-CG 4.34Å; L165-Q226 HydrophobicContact CD1-CG 3.61Å; Y222-Q226 WeakPolarHBondContact O-CG 3.47Å; Y222-Q226 PolarHBondContact O-N 3.24Å; W224-Q226 PolarHBondContact O-N 3.4Å; Q226-E228 VanDerWaalsContact C-N 3.33Å; Q226-E228 PolarHBondContact O-N 3.45Å; Q226-K229 WeakPolarHBondContact O-CB 3.3Å; Q226-K229 PolarHBondContact O-N 3.24Å; Q226-K229 VanDerWaalsContact O-N 3.14Å; Q226-T230 PolarHBondContact O-N 2.97Å; Q226-T230 PolarHBondContact O-OG1 3.41Å; Q226-T230 VanDerWaalsContact O-OG1 3.1Å
227	L	86.9	Confident	81.3	Confident	55 Å²	55	46.9 Å²	46.9	29%	0.288	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-41.5	176.1	-71.3	168.9	0	0	0	112.4	V158 R223 W224 T230 N231 T235	V158-L227 HydrophobicContact CG1-CD2 4.24Å; V158-L227 HydrophobicContact CG1-CG 4.18Å; V158-L227 HydrophobicContact CG2-CD2 3.9Å; R223-L227 HydrophobicContact CG-CD1 4.34Å; R223-L227 WeakPolarHBondContact O-CB 3.22Å; R223-L227 VanDerWaalsContact O-CG 3.27Å; R223-L227 WeakPolarHBondContact O-CG 3.47Å; R223-L227 PolarHBondContact O-N 3.49Å; R223-L227 VanDerWaalsContact O-N 3.1Å; W224-L227 PolarHBondContact O-N 3.3Å; L227-T230 PolarHBondContact O-OG1 3.3Å; L227-N231 PolarHBondContact O-N 3.23Å; L227-T235 HydrophobicContact CB-CG2 3.75Å
228	E	87.3	Confident	78.9	Confident	5 Å²	5	50.1 Å²	50.1	2%	0.023	28%	0.276	C	S	.	.	H	α-helix	trans	-72.3	-30.7	177.2	-164.4	63.2	-144.2	0	0	111.6	F180 R184 I186 W224 Y225 Q226 G233 T235	F180-E228 HydrophobicContact CE1-CB 4.32Å; F180-E228 HydrophobicContact CE1-CG 4.06Å; F180-E228 HydrophobicContact CZ-CB 4.15Å; F180-E228 HydrophobicContact CZ-CG 3.96Å; R184-E228 PolarHBondContact NH1-O 2.73Å; I186-E228 HydrophobicContact CD1-CG 3.95Å; W224-E228 HydrophobicContact CH2-CB 4.49Å; W224-E228 HydrophobicContact CH2-CG 4.31Å; W224-E228 HydrophobicContact CZ2-CB 4.07Å; W224-E228 HydrophobicContact CZ2-CG 3.81Å; W224-E228 VanDerWaalsContact O-CB 3.32Å; W224-E228 WeakPolarHBondContact O-CB 3.46Å; W224-E228 PolarHBondContact O-N 3.12Å; Y225-E228 PolarHBondContact O-N 3.22Å; Q226-E228 VanDerWaalsContact C-N 3.33Å; Q226-E228 PolarHBondContact O-N 3.45Å; E228-G233 PolarHBondContact OE1-N 3.15Å; E228-T235 PolarHBondContact OE2-OG1 3.17Å
229	K	82.9	Confident	76.5	Confident	83 Å²	83	56.5 Å²	56.5	36%	0.361	30%	0.3	S	S	.	.	H	α-helix	trans	-70	-45.4	177	-169.6	176.8	-169.8	169.4	0	111.5	E176 F180 R184 Y225 Q226	E176-K229 IonicContact OE1-NZ 3.55Å; E176-K229 PolarHBondContact OE1-NZ 3.47Å; F180-K229 HydrophobicContact CE2-CB 4.18Å; F180-K229 HydrophobicContact CE2-CG 4.33Å; F180-K229 HydrophobicContact CZ-CB 4.39Å; R184-K229 PolarHBondContact NH2-O 3Å; Y225-K229 HydrophobicContact CE1-CD 4.17Å; Y225-K229 HydrophobicContact CE2-CD 4.39Å; Y225-K229 WeakPolarHBondContact O-CB 3.49Å; Y225-K229 PolarHBondContact O-N 2.81Å; Y225-K229 WeakPolarHBondContact OH-CE 3.36Å; Y225-K229 PolarHBondContact OH-NZ 2.74Å; Q226-K229 WeakPolarHBondContact O-CB 3.3Å; Q226-K229 PolarHBondContact O-N 3.24Å; Q226-K229 VanDerWaalsContact O-N 3.14Å
230	T	80.4	Confident	74	Confident	82 Å²	82	58.1 Å²	58.1	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-76	-40.9	178.8	55.7	0	0	0	0	112.9	Q226 L227	Q226-T230 PolarHBondContact O-N 2.97Å; Q226-T230 PolarHBondContact O-OG1 3.41Å; Q226-T230 VanDerWaalsContact O-OG1 3.1Å; L227-T230 PolarHBondContact O-OG1 3.3Å
231	N	77.8	Confident	71.1	Confident	93 Å²	93	60 Å²	60	50%	0.497	34%	0.336	S	S	.	.	S	Bend	trans	-130.7	85.4	-176.5	-160.7	-9.8	0	0	0	111.5	L227 G233 A234	L227-N231 PolarHBondContact O-N 3.23Å; N231-G233 PolarHBondContact O-N 3.11Å; N231-A234 HydrophobicContact CB-CB 3.78Å; N231-A234 WeakPolarHBondContact O-CB 3.41Å; N231-A234 PolarHBondContact O-N 3.42Å
232	P	72.3	Confident	68.4	Low	82 Å²	82	64.6 Å²	64.6	53%	0.532	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	122.7	-176.8	-22.1	30.9	0	0	0	112.2	A234	P232-A234 VanDerWaalsContact C-N 3.3Å; P232-A234 PolarHBondContact O-N 3.33Å
233	G	62.5	Low	66	Low	24 Å²	24	71.7 Å²	71.7	25%	0.247	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	-4.1	179.6	0	0	0	0	0	115.5	E228 N231 T235 L236 S237	E228-G233 PolarHBondContact OE1-N 3.15Å; N231-G233 PolarHBondContact O-N 3.11Å; G233-T235 VanDerWaalsContact C-N 3.34Å; G233-T235 PolarHBondContact O-N 3.04Å; G233-L236 CarbonylContact O-C 3.52Å; G233-L236 PolarHBondContact O-N 3.34Å; G233-L236 VanDerWaalsContact O-N 3.08Å; G233-S237 VanDerWaalsContact O-CB 3.26Å; G233-S237 WeakPolarHBondContact O-CB 3.36Å; G233-S237 PolarHBondContact O-N 2.84Å
234	A	61.4	Low	63.3	Low	33 Å²	33	73 Å²	73	27%	0.273	42%	0.421	S	S	.	.	H	α-helix	trans	-61.7	-41.5	176.9	0	0	0	0	0	112.3	N231 P232 L236 S237 M238	N231-A234 HydrophobicContact CB-CB 3.78Å; N231-A234 WeakPolarHBondContact O-CB 3.41Å; N231-A234 PolarHBondContact O-N 3.42Å; P232-A234 VanDerWaalsContact C-N 3.3Å; P232-A234 PolarHBondContact O-N 3.33Å; A234-L236 PolarHBondContact O-N 3.35Å; A234-S237 PolarHBondContact O-N 3.42Å; A234-M238 PolarHBondContact O-N 2.83Å
235	T	57.1	Low	61.1	Low	25 Å²	25	80.7 Å²	80.7	15%	0.153	46%	0.462	C	S	.	.	H	α-helix	trans	-69.6	-20.4	176.6	82.1	0	0	0	0	112.9	W224 L227 E228 G233	W224-T235 PolarHBondContact NE1-OG1 3.01Å; L227-T235 HydrophobicContact CB-CG2 3.75Å; E228-T235 PolarHBondContact OE2-OG1 3.17Å; G233-T235 VanDerWaalsContact C-N 3.34Å; G233-T235 PolarHBondContact O-N 3.04Å
236	L	55	Low	58.4	Low	65 Å²	65	88.8 Å²	88.8	34%	0.34	50%	0.499	S	S	.	.	H	α-helix	trans	-93.8	-27.4	179.6	-53	-175.5	0	0	0	112.7	V190 V194 G233 A234 R239	V190-L236 HydrophobicContact CG1-CD1 4.32Å; V190-L236 HydrophobicContact CG1-CD2 3.31Å; V190-L236 HydrophobicContact CG1-CG 4.47Å; V194-L236 HydrophobicContact CG2-CD2 4.13Å; G233-L236 CarbonylContact O-C 3.52Å; G233-L236 PolarHBondContact O-N 3.34Å; G233-L236 VanDerWaalsContact O-N 3.08Å; A234-L236 PolarHBondContact O-N 3.35Å; L236-R239 WeakPolarHBondContact O-CB 3.41Å; L236-R239 PolarHBondContact O-N 3.43Å
237	S	47.6	Very low	56.1	Low	87 Å²	87	94.6 Å²	94.6	61%	0.608	53%	0.531	S	S	*	.	H	α-helix	trans	-72.9	-30.3	176.2	-172.9	0	0	0	0	111.9	G233 A234 R239	G233-S237 VanDerWaalsContact O-CB 3.26Å; G233-S237 WeakPolarHBondContact O-CB 3.36Å; G233-S237 PolarHBondContact O-N 2.84Å; A234-S237 PolarHBondContact O-N 3.42Å; S237-R239 PolarHBondContact O-N 3.32Å
238	M	42.7	Very low	54	Low	156 Å²	156	97.2 Å²	97.2	77%	0.768	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	12.9	169	-66	-68.4	92.5	0	0	114.4	A234	A234-M238 PolarHBondContact O-N 2.83Å
239	R	45.6	Very low	51.5	Low	160 Å²	160	104.3 Å²	104.3	60%	0.604	58%	0.584	S	S	*	*	S	Bend	trans	-63.8	126.7	160.7	177.6	-177.2	-175.7	117.7	-7.6	108.6	L236 S237 A241	L236-R239 WeakPolarHBondContact O-CB 3.41Å; L236-R239 PolarHBondContact O-N 3.43Å; S237-R239 PolarHBondContact O-N 3.32Å; R239-A241 PolarHBondContact O-N 3.26Å
240	P	41.2	Very low	49.4	Very low	116 Å²	116	110.2 Å²	110.2	75%	0.753	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-56.4	116.7	167.4	-21.6	32.5	0	0	0	108.6
241	A	31.2	Very low	47.1	Very low	79 Å²	79	118 Å²	118	65%	0.653	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-53.2	133.7	171.6	0	0	0	0	0	107.8	R239 I243	R239-A241 PolarHBondContact O-N 3.26Å; A241-I243 PolarHBondContact O-N 3.46Å
242	P	38.7	Very low	45.4	Very low	97 Å²	97	121.8 Å²	121.8	63%	0.63	64%	0.64	S	S	*	*			trans	-60.2	107.4	165.1	-13.3	27.8	0	0	0	106	P244	P242-P244 VanDerWaalsContact O-CD 3.26Å; P242-P244 WeakPolarHBondContact O-CD 3.48Å; P242-P244 VanDerWaalsContact O-N 3.1Å
243	I	44.9	Very low	43.4	Very low	152 Å²	152	124.3 Å²	124.3	78%	0.779	65%	0.653	S	S	*	*			trans	-51.8	119	170.9	-7.8	176.4	0	0	0	105.9	A241 I245	A241-I243 PolarHBondContact O-N 3.46Å; I243-I245 PolarHBondContact O-N 2.9Å; I243-I245 VanDerWaalsContact O-N 3.12Å
244	P	36.4	Very low	42.4	Very low	107 Å²	107	128.6 Å²	128.6	70%	0.695	68%	0.677	S	S	*	*			trans	-58.5	121.5	170.8	-20.6	33.2	0	0	0	106.8	P242 E246	P242-P244 VanDerWaalsContact O-CD 3.26Å; P242-P244 WeakPolarHBondContact O-CD 3.48Å; P242-P244 VanDerWaalsContact O-N 3.1Å; P244-E246 PolarHBondContact O-N 3.28Å
245	I	45.8	Very low	41.6	Very low	171 Å²	171	132.6 Å²	132.6	88%	0.877	70%	0.7	S	S	*	*			trans	-78.2	77.3	166.5	-57.8	173.7	0	0	0	105.3	I243	I243-I245 PolarHBondContact O-N 2.9Å; I243-I245 VanDerWaalsContact O-N 3.12Å
246	E	37.7	Very low	40.6	Very low	172 Å²	172	137.1 Å²	137.1	80%	0.804	73%	0.73	S	S	*	*			trans	-87.7	116.3	152.9	-70.2	-166.6	153.2	0	0	106.6	P244 P248	P244-E246 PolarHBondContact O-N 3.28Å; E246-P248 WeakPolarHBondContact O-CD 3.34Å
247	D	42	Very low	40.2	Very low	142 Å²	142	140.5 Å²	140.5	76%	0.759	75%	0.753	S	S	*	*			trans	-69.6	125.9	172.1	-161.6	-16.6	0	0	0	108	E249	D247-E249 PolarHBondContact OD1-N 2.87Å
248	P	44.1	Very low	39.7	Very low	110 Å²	110	142.4 Å²	142.4	71%	0.714	77%	0.766	S	S	*	*				-144.1	123.8	121.2	31.1	-14	0	0	0	114.9	E246	E246-P248 WeakPolarHBondContact O-CD 3.34Å
249	E	33.3	Very low	39	Very low	154 Å²	154	139.4 Å²	139.4	72%	0.72	77%	0.766	S	S	*	*				40.5	118.7	128.2	-72.5	-155.2	114.7	0	0	121.1	D247	D247-E249 PolarHBondContact OD1-N 2.87Å
250	W	40	Very low	38.2	Very low	208 Å²	208	138.1 Å²	138.1	79%	0.788	78%	0.777	S	S	*	*			trans	46.7	99.6	141.2	-56.4	108.3	0	0	0	119.7
251	R	32.4	Very low	38.2	Very low	245 Å²	245	139.2 Å²	139.2	93%	0.925	79%	0.787	S	S	*	*				-171.6	156.7	105.8	-99.1	163.6	-153.7	-70.3	-3.8	113.5
252	Q	41.4	Very low	38.6	Very low	173 Å²	173	138.2 Å²	138.2	81%	0.808	78%	0.784	S	S	*	*			trans	-92.2	129.8	-174.7	-61.5	167.3	6.2	0	0	111.9
253	T	29.9	Very low	38.6	Very low	134 Å²	134	139.8 Å²	139.8	82%	0.822	79%	0.792	S	S	*	*			trans	-154.5	117.6	153	47.8	0	0	0	0	110.7
254	P	41.8	Very low	38.1	Very low	114 Å²	114	141.6 Å²	141.6	74%	0.74	80%	0.795	S	S	*	*			trans	-87.2	177.7	154.4	37.9	-33	0	0	0	110
255	P	45.5	Very low	38.5	Very low	118 Å²	118	146.9 Å²	146.9	77%	0.766	80%	0.801	S	S	*	*			cis	-107.9	-124.5	-4.5	43.4	-29.2	0	0	0	108
256	P	36.3	Very low	38.4	Very low	120 Å²	120	145.6 Å²	145.6	78%	0.779	80%	0.795	S	S	*	*			cis	-93.9	176.2	-8.9	39.5	-34.1	0	0	0	113.9
257	V	44.8	Very low	38.8	Very low	135 Å²	135	147.9 Å²	147.9	82%	0.818	80%	0.796	S	S	*	*			trans	-103.7	121.1	165	-79.2	0	0	0	0	110
258	S	38.4	Very low	39.3	Very low	127 Å²	127	152.2 Å²	152.2	89%	0.888	80%	0.802	S	S	*	*			trans	154.7	97.6	150.5	-75.3	0	0	0	0	111.9
259	A	27.7	Very low	39.7	Very low	93 Å²	93	149.6 Å²	149.6	77%	0.769	80%	0.795	S	S	*	*			trans	-158.2	105.9	157.3	0	0	0	0	0	111.1
260	T	28.1	Very low	41.6	Very low	134 Å²	134	146.6 Å²	146.6	82%	0.822	79%	0.791	S	S	*	*			trans	38.7	112.1	146.4	53.1	0	0	0	0	119.8	G262	T260-G262 PolarHBondContact O-N 2.99Å
261	S	41.3	Very low	43.4	Very low	139 Å²	139	146.5 Å²	146.5	97%	0.972	79%	0.79	S	S	*	*	S	Bend	trans	-48.2	105.6	157.1	-55	0	0	0	0	112.1
262	G	39.7	Very low	46.2	Very low	58 Å²	58	137 Å²	137	60%	0.598	76%	0.756	S	S	*	*			trans	-172.2	123.3	178.6	0	0	0	0	0	113.9	T260 F264	T260-G262 PolarHBondContact O-N 2.99Å; G262-F264 PolarHBondContact O-N 3.44Å
263	T	38.6	Very low	48.5	Very low	129 Å²	129	134.1 Å²	134.1	79%	0.791	75%	0.75	S	S	*	*			trans	73.9	26.7	154.8	-33.1	0	0	0	0	118.8	R265	T263-R265 PolarHBondContact O-N 2.93Å
264	F	34.6	Very low	51.6	Low	191 Å²	191	130.8 Å²	130.8	84%	0.838	72%	0.723	S	S	*	*			trans	-78.7	59.3	146.3	-140.6	-89.8	0	0	0	110.2	G262 L266	G262-F264 PolarHBondContact O-N 3.44Å; F264-L266 HydrophobicContact CD1-CD2 4.49Å; F264-L266 HydrophobicContact CD1-CG 4.26Å; F264-L266 HydrophobicContact CE1-CD2 4.31Å; F264-L266 PolarHBondContact O-N 2.91Å
265	R	46.2	Very low	54.1	Low	218 Å²	218	129.4 Å²	129.4	82%	0.823	70%	0.703	S	S	*	*			trans	-68.4	89.1	166.8	-77.4	-168.8	-179.4	-172.6	3.1	107	T263 R267	T263-R265 PolarHBondContact O-N 2.93Å; R265-R267 PolarHBondContact O-N 3.42Å
266	L	42.2	Very low	56.5	Low	144 Å²	144	132 Å²	132	75%	0.754	70%	0.702	S	S	*	*			trans	-37.7	116.2	171.2	-81.8	149.4	0	0	0	108.9	F264 R268	F264-L266 HydrophobicContact CD1-CD2 4.49Å; F264-L266 HydrophobicContact CD1-CG 4.26Å; F264-L266 HydrophobicContact CE1-CD2 4.31Å; F264-L266 PolarHBondContact O-N 2.91Å; L266-R268 PolarHBondContact O-N 3.29Å; L266-R268 VanDerWaalsContact O-N 3.1Å
267	R	47.6	Very low	59.3	Low	219 Å²	219	131.3 Å²	131.3	83%	0.826	69%	0.688	S	S	*	*			trans	-41.9	125.4	164.2	-82.4	-176.7	170.1	-136.4	5.3	106.4	R265 G269	R265-R267 PolarHBondContact O-N 3.42Å; R267-G269 WeakPolarHBondContact O-CA 3.44Å; R267-G269 PolarHBondContact O-N 3.12Å
268	R	51.7	Low	61.8	Low	234 Å²	234	124.9 Å²	124.9	88%	0.883	65%	0.65	S	S	*	*	S	Bend	trans	-45.7	109.3	174.4	-180	179.8	-115.2	-115	-0.7	107.1	L266	L266-R268 PolarHBondContact O-N 3.29Å; L266-R268 VanDerWaalsContact O-N 3.1Å
269	G	52.1	Low	64.7	Low	54 Å²	54	121.4 Å²	121.4	56%	0.557	62%	0.62	S	S	*	*			trans	-59.1	160.3	-150.4	0	0	0	0	0	113.9	R267 R271	R267-G269 WeakPolarHBondContact O-CA 3.44Å; R267-G269 PolarHBondContact O-N 3.12Å; G269-R271 PolarHBondContact O-N 3.48Å
270	S	72.8	Confident	68	Low	92 Å²	92	119.8 Å²	119.8	64%	0.643	61%	0.607	S	S	*	*			trans	-51.6	101.9	170.8	-174.3	0	0	0	0	108.9
271	R	79.1	Confident	71.3	Confident	206 Å²	206	114.7 Å²	114.7	78%	0.777	58%	0.576	S	S	*	*			trans	-83.6	126.5	-168.4	-178.4	175.4	170.4	124.2	-5	108.1	G269 T273	G269-R271 PolarHBondContact O-N 3.48Å; R271-T273 PolarHBondContact O-N 2.91Å; R271-T273 PolarHBondContact O-OG1 3.2Å
272	F	89.7	Confident	74	Confident	45 Å²	45	108.1 Å²	108.1	20%	0.197	53%	0.53	C	S	.	.			trans	-48.9	127.4	173.2	173.1	-96.4	0	0	0	110.9	W274 L318 E319 V321 K325	F272-W274 AromaticContact CE1-CD2 3.51Å; F272-W274 HydrophobicContact CE1-CD2 3.51Å; F272-W274 AromaticContact CE1-CE2 3.5Å; F272-W274 AromaticContact CE1-CE3 3.68Å; F272-W274 HydrophobicContact CE1-CE3 3.68Å; F272-W274 HydrophobicContact CE1-CG 4.11Å; F272-W274 AromaticContact CE1-CH2 3.88Å; F272-W274 HydrophobicContact CE1-CH2 3.88Å; F272-W274 AromaticContact CE1-CZ2 3.68Å; F272-W274 HydrophobicContact CE1-CZ2 3.68Å; F272-W274 AromaticContact CE1-CZ3 3.88Å; F272-W274 HydrophobicContact CE1-CZ3 3.88Å; F272-W274 AromaticContact CZ-CD2 3.9Å; F272-W274 HydrophobicContact CZ-CD2 3.9Å; F272-W274 AromaticContact CZ-CE3 3.58Å; F272-W274 HydrophobicContact CZ-CE3 3.58Å; F272-W274 HydrophobicContact CZ-CH2 4.07Å; F272-W274 HydrophobicContact CZ-CZ2 4.33Å; F272-W274 AromaticContact CZ-CZ3 3.68Å; F272-W274 HydrophobicContact CZ-CZ3 3.68Å; F272-L318 WeakPolarHBondContact CD2-O 3.39Å; F272-E319 WeakPolarHBondContact CE2-O 3.49Å; F272-V321 HydrophobicContact CE2-CG2 4.33Å; F272-V321 HydrophobicContact CZ-CG2 4.11Å; F272-K325 HydrophobicContact CD1-CD 3.83Å; F272-K325 HydrophobicContact CD1-CG 4.39Å; F272-K325 HydrophobicContact CD2-CD 3.99Å; F272-K325 HydrophobicContact CE1-CB 4.45Å; F272-K325 HydrophobicContact CE1-CD 3.82Å; F272-K325 HydrophobicContact CE1-CG 4.39Å; F272-K325 HydrophobicContact CE2-CD 3.99Å; F272-K325 HydrophobicContact CG-CD 3.9Å; F272-K325 HydrophobicContact CZ-CD 3.91Å
273	T	91	Very high	76.8	Confident	113 Å²	113	108.7 Å²	108.7	69%	0.693	52%	0.517	S	S	*	.			trans	-123.5	130.8	-178.3	-62.7	0	0	0	0	108.1	R271 R275	R271-T273 PolarHBondContact O-N 2.91Å; R271-T273 PolarHBondContact O-OG1 3.2Å; T273-R275 PolarHBondContact O-N 2.86Å
274	W	94.6	Very high	79.6	Confident	64 Å²	64	105.6 Å²	105.6	24%	0.242	50%	0.501	C	S	.	.			trans	-68.1	128.6	179.6	-68.1	107.5	0	0	0	111.1	F272 C278 L279 M282 V321 K325 V326 W329	F272-W274 AromaticContact CE1-CD2 3.51Å; F272-W274 HydrophobicContact CE1-CD2 3.51Å; F272-W274 AromaticContact CE1-CE2 3.5Å; F272-W274 AromaticContact CE1-CE3 3.68Å; F272-W274 HydrophobicContact CE1-CE3 3.68Å; F272-W274 HydrophobicContact CE1-CG 4.11Å; F272-W274 AromaticContact CE1-CH2 3.88Å; F272-W274 HydrophobicContact CE1-CH2 3.88Å; F272-W274 AromaticContact CE1-CZ2 3.68Å; F272-W274 HydrophobicContact CE1-CZ2 3.68Å; F272-W274 AromaticContact CE1-CZ3 3.88Å; F272-W274 HydrophobicContact CE1-CZ3 3.88Å; F272-W274 AromaticContact CZ-CD2 3.9Å; F272-W274 HydrophobicContact CZ-CD2 3.9Å; F272-W274 AromaticContact CZ-CE3 3.58Å; F272-W274 HydrophobicContact CZ-CE3 3.58Å; F272-W274 HydrophobicContact CZ-CH2 4.07Å; F272-W274 HydrophobicContact CZ-CZ2 4.33Å; F272-W274 AromaticContact CZ-CZ3 3.68Å; F272-W274 HydrophobicContact CZ-CZ3 3.68Å; W274-C278 HydrophobicContact CE3-CB 4.05Å; W274-C278 HydrophobicContact CZ3-CB 4.44Å; W274-L279 HydrophobicContact CB-CD1 4.38Å; W274-L279 HydrophobicContact CB-CD2 3.72Å; W274-L279 HydrophobicContact CB-CG 3.98Å; W274-L279 HydrophobicContact CG-CD2 4.03Å; W274-M282 HydrophobicContact CD2-CE 3.67Å; W274-M282 HydrophobicContact CE3-CE 3.32Å; W274-M282 HydrophobicContact CE3-SD 4.23Å; W274-M282 HydrophobicContact CG-CE 4.46Å; W274-M282 HydrophobicContact CH2-CE 3.8Å; W274-M282 HydrophobicContact CH2-SD 3.64Å; W274-M282 HydrophobicContact CZ2-CE 4.13Å; W274-M282 HydrophobicContact CZ2-SD 4.23Å; W274-M282 HydrophobicContact CZ3-CE 3.38Å; W274-M282 HydrophobicContact CZ3-SD 3.64Å; W274-V321 HydrophobicContact CH2-CG1 3.97Å; W274-V321 HydrophobicContact CZ3-CG1 3.74Å; W274-V321 HydrophobicContact CZ3-CG2 4.08Å; W274-K325 HydrophobicContact CH2-CB 3.8Å; W274-K325 HydrophobicContact CZ2-CB 3.97Å; W274-K325 WeakPolarHBondContact CZ2-O 3.4Å; W274-V326 HydrophobicContact CH2-CG2 4.49Å; W274-W329 AromaticContact CD1-CD1 3.98Å; W274-W329 AromaticContact CE2-CD1 3.7Å; W274-W329 HydrophobicContact CH2-CB 4.37Å; W274-W329 HydrophobicContact CZ2-CB 3.7Å; W274-W329 HydrophobicContact CZ2-CG 4.24Å; W274-W329 AromaticContact NE1-CD1 3.59Å
275	R	94.9	Very high	82.6	Confident	84 Å²	84	98.8 Å²	98.8	32%	0.317	47%	0.47	S	S	.	.			trans	-76.5	151.2	167.8	-57.9	-154.5	-159	150.9	8.1	110.2	T273 E277 C278 L279 I308 E319	T273-R275 PolarHBondContact O-N 2.86Å; R275-E277 VanDerWaalsContact C-N 3.32Å; R275-E277 PolarHBondContact O-N 2.89Å; R275-C278 PolarHBondContact O-N 3.14Å; R275-C278 VanDerWaalsContact O-N 3.15Å; R275-L279 PolarHBondContact O-N 3.17Å; R275-L279 VanDerWaalsContact O-N 3.17Å; R275-I308 HydrophobicContact CB-CG2 4.11Å; R275-I308 HydrophobicContact CG-CG2 4.18Å; R275-I308 VanDerWaalsContact NH1-CB 3.26Å; R275-I308 PolarHBondContact NH1-O 3.29Å; R275-I308 PolarHBondContact NH2-O 3.48Å; R275-E319 IonicContact CZ-OE1 2.97Å; R275-E319 IonicContact NE-OE1 2.63Å; R275-E319 IonicContact NH2-OE1 3.46Å; R275-E319 PolarHBondContact NH2-OE1 3.24Å
276	K	94.8	Very high	85	Confident	173 Å²	173	88.6 Å²	88.6	75%	0.752	43%	0.432	S	S	*	.	H	α-helix	trans	-54.2	-45.7	179.4	-67.6	-173.5	177.3	-175.5	0	112.3	C278 L279 A280	K276-C278 VanDerWaalsContact C-N 3.34Å; K276-C278 PolarHBondContact O-N 3.46Å; K276-L279 WeakPolarHBondContact O-CA 3.36Å; K276-L279 WeakPolarHBondContact O-CB 3.4Å; K276-L279 PolarHBondContact O-N 3.49Å; K276-A280 PolarHBondContact O-N 3.23Å
277	E	96	Very high	87.6	Confident	105 Å²	105	88 Å²	88	49%	0.491	43%	0.429	S	S	.	.	H	α-helix	trans	-56.7	-43.7	177.5	-42.5	-40.3	118.4	0	0	113.3	R275 L279 A280 V281 V307	R275-E277 VanDerWaalsContact C-N 3.32Å; R275-E277 PolarHBondContact O-N 2.89Å; E277-L279 VanDerWaalsContact C-N 3.3Å; E277-L279 PolarHBondContact O-N 3.41Å; E277-A280 PolarHBondContact O-N 3.39Å; E277-V281 WeakPolarHBondContact O-CG2 3.29Å; E277-V281 PolarHBondContact O-N 2.8Å; E277-V281 VanDerWaalsContact O-N 3.11Å; E277-V307 HydrophobicContact CB-CB 4.44Å; E277-V307 HydrophobicContact CB-CG1 3.57Å; E277-V307 HydrophobicContact CG-CG1 4.07Å
278	C	97.6	Very high	89.8	Confident	1 Å²	1	84.3 Å²	84.3	1%	0.007	42%	0.421	C	S	.	.	H	α-helix	trans	-65.8	-34.1	176.5	-59.3	0	0	0	0	112.3	W274 R275 K276 M282 C304 I308	W274-C278 HydrophobicContact CE3-CB 4.05Å; W274-C278 HydrophobicContact CZ3-CB 4.44Å; R275-C278 PolarHBondContact O-N 3.14Å; R275-C278 VanDerWaalsContact O-N 3.15Å; K276-C278 VanDerWaalsContact C-N 3.34Å; K276-C278 PolarHBondContact O-N 3.46Å; C278-M282 HydrophobicContact CB-CE 4.47Å; C278-M282 WeakPolarHBondContact O-CB 3.47Å; C278-M282 WeakPolarHBondContact O-CE 3.1Å; C278-M282 WeakPolarHBondContact O-CG 3.36Å; C278-M282 PolarHBondContact O-N 3.23Å; C278-C304 HydrophobicContact CB-CB 4.09Å; C278-I308 WeakPolarHBondContact SG-CG2 3.42Å
279	L	97.7	Very high	91.9	Very high	53 Å²	53	76.7 Å²	76.7	28%	0.277	40%	0.398	S	S	.	.	H	α-helix	trans	-64.9	-45.5	176.4	-65.3	172.6	0	0	0	110.3	W274 R275 K276 E277 V281 M282 E283 W329	W274-L279 HydrophobicContact CB-CD1 4.38Å; W274-L279 HydrophobicContact CB-CD2 3.72Å; W274-L279 HydrophobicContact CB-CG 3.98Å; W274-L279 HydrophobicContact CG-CD2 4.03Å; R275-L279 PolarHBondContact O-N 3.17Å; R275-L279 VanDerWaalsContact O-N 3.17Å; K276-L279 WeakPolarHBondContact O-CA 3.36Å; K276-L279 WeakPolarHBondContact O-CB 3.4Å; K276-L279 PolarHBondContact O-N 3.49Å; E277-L279 VanDerWaalsContact C-N 3.3Å; E277-L279 PolarHBondContact O-N 3.41Å; L279-V281 PolarHBondContact O-N 2.8Å; L279-M282 HydrophobicContact CD2-CE 3.99Å; L279-M282 PolarHBondContact O-N 3.27Å; L279-E283 WeakPolarHBondContact O-CB 3.45Å; L279-E283 WeakPolarHBondContact O-CG 3.44Å; L279-E283 PolarHBondContact O-N 2.99Å; L279-W329 HydrophobicContact CD2-CZ2 4.43Å
280	A	97.6	Very high	94	Very high	59 Å²	59	78.1 Å²	78.1	49%	0.488	39%	0.39	S	S	.	.	H	α-helix	trans	-59.4	-45.5	176.9	0	0	0	0	0	112.2	K276 E277 E283 S284	K276-A280 PolarHBondContact O-N 3.23Å; E277-A280 PolarHBondContact O-N 3.39Å; A280-E283 PolarHBondContact O-N 2.64Å; A280-S284 PolarHBondContact O-N 3.05Å
281	V	97.8	Very high	95.2	Very high	28 Å²	28	80.6 Å²	80.6	17%	0.17	39%	0.386	C	S	.	.	H	α-helix	trans	-58	-53.3	174.3	173	0	0	0	0	110.9	E277 L279 E283 S284 Y285 A303 V307	E277-V281 WeakPolarHBondContact O-CG2 3.29Å; E277-V281 PolarHBondContact O-N 2.8Å; E277-V281 VanDerWaalsContact O-N 3.11Å; L279-V281 PolarHBondContact O-N 2.8Å; V281-E283 VanDerWaalsContact C-N 3.31Å; V281-E283 PolarHBondContact O-N 3.32Å; V281-S284 WeakPolarHBondContact O-CB 3.49Å; V281-S284 PolarHBondContact O-N 2.92Å; V281-Y285 HydrophobicContact CG1-CD2 4.02Å; V281-Y285 HydrophobicContact CG1-CE2 3.99Å; V281-Y285 WeakPolarHBondContact O-CD2 3.37Å; V281-Y285 PolarHBondContact O-N 3.01Å; V281-A303 HydrophobicContact CG1-CB 4Å; V281-V307 HydrophobicContact CG2-CG2 4.32Å
282	M	97.8	Very high	96.1	Very high	0 Å²	0	71 Å²	71	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64.7	-32.8	-179	-70.1	-174.5	-63.9	0	0	113.2	W274 C278 L279 F286 I300 V326 W329 F330	W274-M282 HydrophobicContact CD2-CE 3.67Å; W274-M282 HydrophobicContact CE3-CE 3.32Å; W274-M282 HydrophobicContact CE3-SD 4.23Å; W274-M282 HydrophobicContact CG-CE 4.46Å; W274-M282 HydrophobicContact CH2-CE 3.8Å; W274-M282 HydrophobicContact CH2-SD 3.64Å; W274-M282 HydrophobicContact CZ2-CE 4.13Å; W274-M282 HydrophobicContact CZ2-SD 4.23Å; W274-M282 HydrophobicContact CZ3-CE 3.38Å; W274-M282 HydrophobicContact CZ3-SD 3.64Å; C278-M282 HydrophobicContact CB-CE 4.47Å; C278-M282 WeakPolarHBondContact O-CB 3.47Å; C278-M282 WeakPolarHBondContact O-CE 3.1Å; C278-M282 WeakPolarHBondContact O-CG 3.36Å; C278-M282 PolarHBondContact O-N 3.23Å; L279-M282 HydrophobicContact CD2-CE 3.99Å; L279-M282 PolarHBondContact O-N 3.27Å; M282-F286 WeakPolarHBondContact O-CB 3.34Å; M282-F286 PolarHBondContact O-N 3.19Å; M282-I300 HydrophobicContact CG-CG2 3.78Å; M282-V326 HydrophobicContact SD-CG1 4.5Å; M282-V326 HydrophobicContact SD-CG2 4.32Å; M282-W329 HydrophobicContact CB-CD2 4.12Å; M282-W329 HydrophobicContact CB-CE3 3.85Å; M282-W329 HydrophobicContact CB-CH2 3.89Å; M282-W329 HydrophobicContact CB-CZ2 4.15Å; M282-W329 HydrophobicContact CB-CZ3 3.74Å; M282-W329 HydrophobicContact CE-CB 4.31Å; M282-W329 VanDerWaalsContact CE-CD1 3.48Å; M282-W329 HydrophobicContact CE-CD2 3.77Å; M282-W329 HydrophobicContact CE-CG 3.61Å; M282-W329 HydrophobicContact CG-CE3 4.5Å; M282-W329 HydrophobicContact SD-CB 3.91Å; M282-W329 HydrophobicContact SD-CD2 3.8Å; M282-W329 HydrophobicContact SD-CE3 4.1Å; M282-W329 HydrophobicContact SD-CG 3.7Å; M282-F330 HydrophobicContact CB-CE2 4.25Å; M282-F330 HydrophobicContact CG-CE2 4.37Å
283	E	97.8	Very high	96.4	Very high	70 Å²	70	73.4 Å²	73.4	33%	0.327	37%	0.366	S	S	.	.	H	α-helix	trans	-68.1	-37.7	175.8	-76.6	-176.1	150.2	0	0	112	L279 A280 V281 F286 N287 W329 R333	L279-E283 WeakPolarHBondContact O-CB 3.45Å; L279-E283 WeakPolarHBondContact O-CG 3.44Å; L279-E283 PolarHBondContact O-N 2.99Å; A280-E283 PolarHBondContact O-N 2.64Å; V281-E283 VanDerWaalsContact C-N 3.31Å; V281-E283 PolarHBondContact O-N 3.32Å; E283-F286 PolarHBondContact O-N 2.79Å; E283-N287 VanDerWaalsContact O-CG 3.25Å; E283-N287 PolarHBondContact O-N 2.95Å; E283-N287 VanDerWaalsContact O-N 3.16Å; E283-N287 PolarHBondContact O-ND2 3.05Å; E283-W329 HydrophobicContact CG-CH2 3.64Å; E283-W329 HydrophobicContact CG-CZ2 3.77Å; E283-R333 IonicContact OE1-CZ 2.93Å; E283-R333 IonicContact OE1-NH1 2.75Å; E283-R333 PolarHBondContact OE1-NH1 3.12Å; E283-R333 VanDerWaalsContact OE1-NH1 3.13Å; E283-R333 IonicContact OE1-NH2 2.79Å; E283-R333 PolarHBondContact OE1-NH2 3.46Å
284	S	97.6	Very high	96.7	Very high	65 Å²	65	72 Å²	72	46%	0.455	35%	0.351	S	S	.	.	H	α-helix	trans	-58.9	-56.5	172.7	-165.1	0	0	0	0	111.4	A280 V281 F286 N287 E288	A280-S284 PolarHBondContact O-N 3.05Å; V281-S284 WeakPolarHBondContact O-CB 3.49Å; V281-S284 PolarHBondContact O-N 2.92Å; S284-F286 PolarHBondContact O-N 2.9Å; S284-N287 PolarHBondContact O-N 3.04Å; S284-N287 VanDerWaalsContact O-N 3.1Å; S284-E288 PolarHBondContact O-N 2.9Å
285	Y	97.4	Very high	96.9	Very high	48 Å²	48	72.2 Å²	72.2	19%	0.188	37%	0.366	C	S	.	.	H	α-helix	trans	-61.5	-29.4	177.8	-80.2	-83.1	0	0	0	113.2	V281 E288 N289 K296 E299 I300	V281-Y285 HydrophobicContact CG1-CD2 4.02Å; V281-Y285 HydrophobicContact CG1-CE2 3.99Å; V281-Y285 WeakPolarHBondContact O-CD2 3.37Å; V281-Y285 PolarHBondContact O-N 3.01Å; Y285-E288 PolarHBondContact O-N 3.37Å; Y285-N289 PolarHBondContact O-N 3.41Å; Y285-K296 HydrophobicContact CD1-CD 4.08Å; Y285-K296 HydrophobicContact CE1-CD 3.85Å; Y285-E299 VanDerWaalsContact CE1-OE1 3.3Å; Y285-E299 WeakPolarHBondContact CE1-OE1 3.42Å; Y285-E299 PolarHBondContact OH-OE1 2.97Å; Y285-I300 HydrophobicContact CD1-CD1 4.01Å; Y285-I300 HydrophobicContact CD1-CG1 3.75Å; Y285-I300 HydrophobicContact CD2-CD1 4.44Å; Y285-I300 HydrophobicContact CD2-CG1 3.71Å; Y285-I300 HydrophobicContact CE1-CG1 4Å; Y285-I300 HydrophobicContact CE2-CG1 3.98Å; Y285-I300 HydrophobicContact CG-CD1 3.86Å; Y285-I300 HydrophobicContact CG-CG1 3.57Å
286	F	97.6	Very high	97	Very high	4 Å²	4	71.5 Å²	71.5	2%	0.018	37%	0.365	C	S	.	.	H	α-helix	trans	-68.8	-33.1	176.6	-172.1	-84.7	0	0	0	112.9	M282 E283 S284 E288 Q290 W329 F330 R333 R334 I337	M282-F286 WeakPolarHBondContact O-CB 3.34Å; M282-F286 PolarHBondContact O-N 3.19Å; E283-F286 PolarHBondContact O-N 2.79Å; S284-F286 PolarHBondContact O-N 2.9Å; F286-E288 VanDerWaalsContact C-N 3.34Å; F286-Q290 HydrophobicContact CD1-CG 4.06Å; F286-Q290 HydrophobicContact CE1-CB 4.43Å; F286-Q290 HydrophobicContact CE1-CG 3.61Å; F286-Q290 HydrophobicContact CE2-CB 4.12Å; F286-Q290 HydrophobicContact CE2-CG 4.17Å; F286-Q290 HydrophobicContact CG-CG 4.49Å; F286-Q290 HydrophobicContact CZ-CB 4.01Å; F286-Q290 HydrophobicContact CZ-CG 3.66Å; F286-Q290 VanDerWaalsContact O-CG 3.32Å; F286-Q290 WeakPolarHBondContact O-CG 3.34Å; F286-W329 HydrophobicContact CB-CH2 4.35Å; F286-W329 HydrophobicContact CB-CZ3 4.04Å; F286-W329 AromaticContact CD2-CZ3 3.88Å; F286-W329 HydrophobicContact CD2-CZ3 3.88Å; F286-W329 HydrophobicContact CG-CZ3 4.2Å; F286-F330 HydrophobicContact CB-CE1 3.93Å; F286-F330 HydrophobicContact CB-CZ 4.18Å; F286-F330 AromaticContact CD2-CD1 3.53Å; F286-F330 HydrophobicContact CD2-CD1 3.53Å; F286-F330 AromaticContact CD2-CE1 3.7Å; F286-F330 HydrophobicContact CD2-CE1 3.7Å; F286-F330 HydrophobicContact CD2-CG 4.22Å; F286-F330 HydrophobicContact CD2-CZ 4.49Å; F286-F330 HydrophobicContact CE2-CD1 4.17Å; F286-F330 HydrophobicContact CG-CE1 4.27Å; F286-R333 HydrophobicContact CD1-CG 4.15Å; F286-R333 HydrophobicContact CD2-CB 4.13Å; F286-R333 HydrophobicContact CD2-CG 3.8Å; F286-R333 HydrophobicContact CE1-CG 3.91Å; F286-R333 HydrophobicContact CE2-CB 3.72Å; F286-R333 HydrophobicContact CE2-CG 3.53Å; F286-R333 HydrophobicContact CG-CG 4.12Å; F286-R333 HydrophobicContact CZ-CB 4.16Å; F286-R333 HydrophobicContact CZ-CG 3.61Å; F286-R334 HydrophobicContact CE2-CG 3.75Å; F286-R334 HydrophobicContact CZ-CG 3.79Å; F286-I337 HydrophobicContact CE1-CD1 3.41Å; F286-I337 VanDerWaalsContact CE1-CD1 3.41Å; F286-I337 HydrophobicContact CZ-CD1 3.66Å
287	N	95.9	Very high	97.1	Very high	131 Å²	131	65.6 Å²	65.6	70%	0.701	34%	0.339	S	S	*	.	H	α-helix	trans	-71.3	-31.6	176.6	-64.4	-25	0	0	0	111.7	E283 S284	E283-N287 VanDerWaalsContact O-CG 3.25Å; E283-N287 PolarHBondContact O-N 2.95Å; E283-N287 VanDerWaalsContact O-N 3.16Å; E283-N287 PolarHBondContact O-ND2 3.05Å; S284-N287 PolarHBondContact O-N 3.04Å; S284-N287 VanDerWaalsContact O-N 3.1Å
288	E	95.4	Very high	97.2	Very high	142 Å²	142	65.7 Å²	65.7	66%	0.664	34%	0.339	S	S	*	.	H	α-helix	trans	-76.4	-51.6	174.1	-65.5	167.8	-147.1	0	0	112.4	S284 Y285 F286	S284-E288 PolarHBondContact O-N 2.9Å; Y285-E288 PolarHBondContact O-N 3.37Å; F286-E288 VanDerWaalsContact C-N 3.34Å
289	N	94.9	Very high	97.3	Very high	73 Å²	73	69.4 Å²	69.4	39%	0.39	36%	0.356	S	S	.	.			trans	-143.8	108.5	-179.6	179.5	8.6	0	0	0	111.6	Y285 Y291 F330	Y285-N289 PolarHBondContact O-N 3.41Å; N289-Y291 PolarHBondContact ND2-O 3.32Å; N289-Y291 PolarHBondContact O-N 3.24Å; N289-Y291 VanDerWaalsContact OD1-C 3.26Å; N289-Y291 WeakPolarHBondContact OD1-CA 3.4Å; N289-Y291 PolarHBondContact OD1-N 3.09Å; N289-Y291 PolarHBondContact OD1-O 3.37Å; N289-F330 WeakPolarHBondContact O-CE1 3.36Å
290	Q	96.9	Very high	97.3	Very high	85 Å²	85	66.9 Å²	66.9	40%	0.397	34%	0.343	S	S	.	.	S	Bend	trans	-69.1	-11.6	177.3	-60.8	-169	2.5	0	0	114.4	F286 R334	F286-Q290 HydrophobicContact CD1-CG 4.06Å; F286-Q290 HydrophobicContact CE1-CB 4.43Å; F286-Q290 HydrophobicContact CE1-CG 3.61Å; F286-Q290 HydrophobicContact CE2-CB 4.12Å; F286-Q290 HydrophobicContact CE2-CG 4.17Å; F286-Q290 HydrophobicContact CG-CG 4.49Å; F286-Q290 HydrophobicContact CZ-CB 4.01Å; F286-Q290 HydrophobicContact CZ-CG 3.66Å; F286-Q290 VanDerWaalsContact O-CG 3.32Å; F286-Q290 WeakPolarHBondContact O-CG 3.34Å; Q290-R334 WeakPolarHBondContact O-CD 3.27Å; Q290-R334 PolarHBondContact O-NH1 3.37Å
291	Y	97.6	Very high	97.3	Very high	144 Å²	144	64.2 Å²	64.2	57%	0.565	32%	0.321	S	S	*	.	S	Bend	trans	-131.2	68.7	-177.7	-62.1	-94.6	0	0	0	111.2	N289 R334	N289-Y291 PolarHBondContact ND2-O 3.32Å; N289-Y291 PolarHBondContact O-N 3.24Å; N289-Y291 VanDerWaalsContact OD1-C 3.26Å; N289-Y291 WeakPolarHBondContact OD1-CA 3.4Å; N289-Y291 PolarHBondContact OD1-N 3.09Å; N289-Y291 PolarHBondContact OD1-O 3.37Å; Y291-R334 VanDerWaalsContact CE1-CD 3.47Å
292	P	97	Very high	97.3	Very high	3 Å²	3	68 Å²	68	2%	0.019	34%	0.34	C	S	.	.			trans	-63.5	141.9	174.4	28.7	-35.5	0	0	0	110.6	K296 R297 I300 F330	P292-K296 HydrophobicContact CB-CB 3.93Å; P292-K296 HydrophobicContact CB-CG 3.81Å; P292-R297 HydrophobicContact CB-CG 4.14Å; P292-R297 HydrophobicContact CG-CG 3.99Å; P292-R297 VanDerWaalsContact O-CZ 3.23Å; P292-R297 PolarHBondContact O-NE 3.11Å; P292-R297 PolarHBondContact O-NH2 2.63Å; P292-I300 HydrophobicContact CB-CD1 4.19Å; P292-I300 HydrophobicContact CG-CD1 4.33Å; P292-F330 HydrophobicContact CG-CD1 3.61Å; P292-F330 HydrophobicContact CG-CD2 4.32Å; P292-F330 HydrophobicContact CG-CE1 3.67Å; P292-F330 HydrophobicContact CG-CE2 4.4Å; P292-F330 HydrophobicContact CG-CG 3.97Å; P292-F330 HydrophobicContact CG-CZ 4.1Å
293	D	97.1	Very high	97.3	Very high	97 Å²	97	69.4 Å²	69.4	52%	0.519	35%	0.352	S	S	.	.			trans	-74	-175.7	168.7	65.7	5.1	0	0	0	111.1	K296 R297	D293-K296 WeakPolarHBondContact OD1-CB 3.45Å; D293-K296 PolarHBondContact OD1-N 2.91Å; D293-R297 VanDerWaalsContact O-CD 3.26Å; D293-R297 WeakPolarHBondContact O-CD 3.47Å; D293-R297 WeakPolarHBondContact O-CG 3.49Å; D293-R297 PolarHBondContact O-N 3.23Å; D293-R297 VanDerWaalsContact O-N 3.07Å; D293-R297 PolarHBondContact O-NE 3.16Å
294	E	96.9	Very high	97.3	Very high	84 Å²	84	66.1 Å²	66.1	39%	0.393	34%	0.336	S	S	.	.	H	α-helix	trans	-69.1	-41.9	-175.9	-162.2	60.1	-158.8	0	0	112.5	K296 R297 E298 S323	E294-K296 PolarHBondContact O-N 3.21Å; E294-R297 WeakPolarHBondContact O-CB 3.28Å; E294-R297 PolarHBondContact O-N 3.04Å; E294-R297 VanDerWaalsContact O-N 3.14Å; E294-R297 WeakPolarHBondContact OE2-CD 3.35Å; E294-R297 IonicContact OE2-CZ 3.58Å; E294-R297 IonicContact OE2-NE 3.86Å; E294-R297 IonicContact OE2-NH1 2.7Å; E294-R297 PolarHBondContact OE2-NH1 2.93Å; E294-E298 PolarHBondContact O-N 3.46Å; E294-S323 WeakPolarHBondContact OE1-CB 3.23Å; E294-S323 PolarHBondContact OE1-OG 3.45Å
295	A	97.7	Very high	97.3	Very high	67 Å²	67	64 Å²	64	55%	0.554	32%	0.32	S	S	*	.	H	α-helix	trans	-60.6	-45.6	177.5	0	0	0	0	0	111.9	R297 E298 E299	A295-R297 VanDerWaalsContact C-N 3.32Å; A295-R297 PolarHBondContact O-N 3.1Å; A295-E298 PolarHBondContact O-N 3.1Å; A295-E299 PolarHBondContact O-N 3.37Å
296	K	97.3	Very high	97.3	Very high	69 Å²	69	65 Å²	65	30%	0.3	34%	0.339	S	S	.	.	H	α-helix	trans	-67	-30.8	176.4	-172.7	60.2	63.6	178.9	0	112.1	Y285 P292 D293 E294 E299 I300	Y285-K296 HydrophobicContact CD1-CD 4.08Å; Y285-K296 HydrophobicContact CE1-CD 3.85Å; P292-K296 HydrophobicContact CB-CB 3.93Å; P292-K296 HydrophobicContact CB-CG 3.81Å; D293-K296 WeakPolarHBondContact OD1-CB 3.45Å; D293-K296 PolarHBondContact OD1-N 2.91Å; E294-K296 PolarHBondContact O-N 3.21Å; K296-E299 WeakPolarHBondContact CE-OE2 3.38Å; K296-E299 IonicContact NZ-OE1 2.93Å; K296-E299 PolarHBondContact NZ-OE1 2.93Å; K296-E299 IonicContact NZ-OE2 2.68Å; K296-E299 PolarHBondContact NZ-OE2 3.29Å; K296-E299 PolarHBondContact O-N 2.82Å; K296-I300 HydrophobicContact CG-CD1 4.08Å; K296-I300 WeakPolarHBondContact O-CB 3.47Å; K296-I300 WeakPolarHBondContact O-CD1 3.2Å; K296-I300 WeakPolarHBondContact O-CG1 3.38Å; K296-I300 PolarHBondContact O-N 3.25Å
297	R	98.3	Very high	97.2	Very high	50 Å²	50	68.8 Å²	68.8	19%	0.189	36%	0.362	C	S	.	.	H	α-helix	trans	-68.6	-36.9	172.4	-68.9	159.4	-156.5	169.1	7.4	112.7	P292 D293 E294 A295 A301 V326	P292-R297 HydrophobicContact CB-CG 4.14Å; P292-R297 HydrophobicContact CG-CG 3.99Å; P292-R297 VanDerWaalsContact O-CZ 3.23Å; P292-R297 PolarHBondContact O-NE 3.11Å; P292-R297 PolarHBondContact O-NH2 2.63Å; D293-R297 VanDerWaalsContact O-CD 3.26Å; D293-R297 WeakPolarHBondContact O-CD 3.47Å; D293-R297 WeakPolarHBondContact O-CG 3.49Å; D293-R297 PolarHBondContact O-N 3.23Å; D293-R297 VanDerWaalsContact O-N 3.07Å; D293-R297 PolarHBondContact O-NE 3.16Å; E294-R297 WeakPolarHBondContact O-CB 3.28Å; E294-R297 PolarHBondContact O-N 3.04Å; E294-R297 VanDerWaalsContact O-N 3.14Å; E294-R297 WeakPolarHBondContact OE2-CD 3.35Å; E294-R297 IonicContact OE2-CZ 3.58Å; E294-R297 IonicContact OE2-NE 3.86Å; E294-R297 IonicContact OE2-NH1 2.7Å; E294-R297 PolarHBondContact OE2-NH1 2.93Å; A295-R297 VanDerWaalsContact C-N 3.32Å; A295-R297 PolarHBondContact O-N 3.1Å; R297-A301 VanDerWaalsContact O-CB 3.29Å; R297-A301 WeakPolarHBondContact O-CB 3.5Å; R297-A301 PolarHBondContact O-N 3.25Å; R297-V326 HydrophobicContact CB-CG1 4.38Å; R297-V326 HydrophobicContact CG-CG1 4.32Å
298	E	98.2	Very high	97.1	Very high	107 Å²	107	62.7 Å²	62.7	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-44.3	173.4	-71.7	-173.9	163.7	0	0	110.9	E294 A295 I300 A301 N302	E294-E298 PolarHBondContact O-N 3.46Å; A295-E298 PolarHBondContact O-N 3.1Å; E298-I300 PolarHBondContact O-N 3.06Å; E298-A301 PolarHBondContact O-N 3.37Å; E298-N302 WeakPolarHBondContact O-CB 3.34Å; E298-N302 PolarHBondContact O-N 3.13Å; E298-N302 PolarHBondContact O-ND2 2.69Å
299	E	98	Very high	97	Very high	78 Å²	78	59.8 Å²	59.8	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-55.6	-51.1	172.2	-174	-168.1	127.8	0	0	111.7	Y285 A295 K296 A301 N302 A303	Y285-E299 VanDerWaalsContact CE1-OE1 3.3Å; Y285-E299 WeakPolarHBondContact CE1-OE1 3.42Å; Y285-E299 PolarHBondContact OH-OE1 2.97Å; A295-E299 PolarHBondContact O-N 3.37Å; K296-E299 WeakPolarHBondContact CE-OE2 3.38Å; K296-E299 IonicContact NZ-OE1 2.93Å; K296-E299 PolarHBondContact NZ-OE1 2.93Å; K296-E299 IonicContact NZ-OE2 2.68Å; K296-E299 PolarHBondContact NZ-OE2 3.29Å; K296-E299 PolarHBondContact O-N 2.82Å; E299-A301 VanDerWaalsContact C-N 3.33Å; E299-A301 PolarHBondContact O-N 2.75Å; E299-N302 PolarHBondContact O-N 2.93Å; E299-A303 WeakPolarHBondContact O-CB 3.37Å; E299-A303 PolarHBondContact O-N 2.97Å
300	I	98.1	Very high	96.7	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-41.4	177.4	-66.6	161.6	0	0	0	111.2	M282 Y285 P292 K296 E298 N302 A303 C304 V326 F330	M282-I300 HydrophobicContact CG-CG2 3.78Å; Y285-I300 HydrophobicContact CD1-CD1 4.01Å; Y285-I300 HydrophobicContact CD1-CG1 3.75Å; Y285-I300 HydrophobicContact CD2-CD1 4.44Å; Y285-I300 HydrophobicContact CD2-CG1 3.71Å; Y285-I300 HydrophobicContact CE1-CG1 4Å; Y285-I300 HydrophobicContact CE2-CG1 3.98Å; Y285-I300 HydrophobicContact CG-CD1 3.86Å; Y285-I300 HydrophobicContact CG-CG1 3.57Å; P292-I300 HydrophobicContact CB-CD1 4.19Å; P292-I300 HydrophobicContact CG-CD1 4.33Å; K296-I300 HydrophobicContact CG-CD1 4.08Å; K296-I300 WeakPolarHBondContact O-CB 3.47Å; K296-I300 WeakPolarHBondContact O-CD1 3.2Å; K296-I300 WeakPolarHBondContact O-CG1 3.38Å; K296-I300 PolarHBondContact O-N 3.25Å; E298-I300 PolarHBondContact O-N 3.06Å; I300-N302 VanDerWaalsContact C-N 3.33Å; I300-N302 PolarHBondContact O-N 2.79Å; I300-A303 PolarHBondContact O-N 3.23Å; I300-C304 WeakPolarHBondContact O-CB 3.34Å; I300-C304 PolarHBondContact O-N 2.84Å; I300-C304 PolarHBondContact O-SG 2.95Å; I300-V326 HydrophobicContact CB-CG1 4.04Å; I300-V326 HydrophobicContact CD1-CG1 4.38Å; I300-V326 HydrophobicContact CG2-CG1 3.64Å; I300-V326 HydrophobicContact CG2-CG2 4.04Å; I300-F330 HydrophobicContact CD1-CE2 4.05Å; I300-F330 HydrophobicContact CD1-CZ 3.83Å
301	A	98.2	Very high	96.3	Very high	3 Å²	3	65.2 Å²	65.2	3%	0.025	35%	0.348	C	S	.	.	H	α-helix	trans	-64.1	-39.5	177.1	0	0	0	0	0	111.7	R297 E298 E299 N305 V321 V326	R297-A301 VanDerWaalsContact O-CB 3.29Å; R297-A301 WeakPolarHBondContact O-CB 3.5Å; R297-A301 PolarHBondContact O-N 3.25Å; E298-A301 PolarHBondContact O-N 3.37Å; E299-A301 VanDerWaalsContact C-N 3.33Å; E299-A301 PolarHBondContact O-N 2.75Å; A301-N305 VanDerWaalsContact O-CB 3.32Å; A301-N305 WeakPolarHBondContact O-CB 3.44Å; A301-N305 PolarHBondContact O-N 3.2Å; A301-N305 PolarHBondContact O-ND2 3.22Å; A301-V321 HydrophobicContact CB-CG1 4.05Å; A301-V326 HydrophobicContact CB-CG2 3.91Å
302	N	97.9	Very high	95.7	Very high	108 Å²	108	62.9 Å²	62.9	58%	0.578	37%	0.367	S	S	*	.	H	α-helix	trans	-67.8	-44.2	175.9	-70.9	-27.9	0	0	0	111.8	E298 E299 I300 N305 A306	E298-N302 WeakPolarHBondContact O-CB 3.34Å; E298-N302 PolarHBondContact O-N 3.13Å; E298-N302 PolarHBondContact O-ND2 2.69Å; E299-N302 PolarHBondContact O-N 2.93Å; I300-N302 VanDerWaalsContact C-N 3.33Å; I300-N302 PolarHBondContact O-N 2.79Å; N302-N305 PolarHBondContact O-N 2.75Å; N302-A306 WeakPolarHBondContact O-CB 3.33Å; N302-A306 PolarHBondContact O-N 3.2Å
303	A	97.8	Very high	95.3	Very high	30 Å²	30	69.1 Å²	69.1	25%	0.248	39%	0.394	C	S	.	.	H	α-helix	trans	-59.9	-47.9	173.9	0	0	0	0	0	111.5	V281 E299 I300 N305 A306 V307	V281-A303 HydrophobicContact CG1-CB 4Å; E299-A303 WeakPolarHBondContact O-CB 3.37Å; E299-A303 PolarHBondContact O-N 2.97Å; I300-A303 PolarHBondContact O-N 3.23Å; A303-N305 PolarHBondContact O-N 3.45Å; A303-A306 PolarHBondContact O-N 3.01Å; A303-V307 WeakPolarHBondContact O-CG2 3.15Å; A303-V307 PolarHBondContact O-N 3Å
304	C	98	Very high	94.9	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-55.5	-51.5	172.5	-75	0	0	0	0	111.6	C278 I300 A306 V307 I308 V321	C278-C304 HydrophobicContact CB-CB 4.09Å; I300-C304 WeakPolarHBondContact O-CB 3.34Å; I300-C304 PolarHBondContact O-N 2.84Å; I300-C304 PolarHBondContact O-SG 2.95Å; C304-A306 VanDerWaalsContact C-N 3.34Å; C304-A306 PolarHBondContact O-N 3.17Å; C304-V307 PolarHBondContact O-N 3.49Å; C304-I308 WeakPolarHBondContact O-CG1 3.48Å; C304-I308 PolarHBondContact O-N 3.46Å; C304-V321 HydrophobicContact CB-CB 4.16Å; C304-V321 HydrophobicContact CB-CG1 4.09Å; C304-V321 HydrophobicContact CB-CG2 3.93Å
305	N	97.4	Very high	94.5	Very high	21 Å²	21	70.5 Å²	70.5	11%	0.112	40%	0.395	C	S	.	.	H	α-helix	trans	-57.5	-43.9	179	-78.7	-38.3	0	0	0	112.1	A301 N302 A303 V307 I308 Q309 L315 V321	A301-N305 VanDerWaalsContact O-CB 3.32Å; A301-N305 WeakPolarHBondContact O-CB 3.44Å; A301-N305 PolarHBondContact O-N 3.2Å; A301-N305 PolarHBondContact O-ND2 3.22Å; N302-N305 PolarHBondContact O-N 2.75Å; A303-N305 PolarHBondContact O-N 3.45Å; N305-V307 VanDerWaalsContact C-N 3.34Å; N305-V307 PolarHBondContact O-N 2.95Å; N305-I308 WeakPolarHBondContact O-CG1 3.47Å; N305-I308 PolarHBondContact O-N 3.28Å; N305-Q309 WeakPolarHBondContact O-CB 3.38Å; N305-Q309 PolarHBondContact O-N 3.24Å; N305-L315 HydrophobicContact CB-CD1 4.04Å; N305-V321 PolarHBondContact ND2-O 3.02Å; N305-V321 WeakPolarHBondContact OD1-CB 3.39Å; N305-V321 PolarHBondContact OD1-N 3.43Å
306	A	96.5	Very high	94.1	Very high	70 Å²	70	69.6 Å²	69.6	58%	0.579	39%	0.385	S	S	*	.	H	α-helix	trans	-59.1	-42.8	179.6	0	0	0	0	0	112.3	N302 A303 C304 I308	N302-A306 WeakPolarHBondContact O-CB 3.33Å; N302-A306 PolarHBondContact O-N 3.2Å; A303-A306 PolarHBondContact O-N 3.01Å; C304-A306 VanDerWaalsContact C-N 3.34Å; C304-A306 PolarHBondContact O-N 3.17Å; A306-I308 VanDerWaalsContact C-N 3.35Å; A306-I308 PolarHBondContact O-N 3.03Å
307	V	96	Very high	93.5	Very high	82 Å²	82	72 Å²	72	50%	0.497	40%	0.401	S	S	.	.	H	α-helix	trans	-71.5	-28.5	178.5	-173.8	0	0	0	0	112.2	E277 V281 A303 C304 N305	E277-V307 HydrophobicContact CB-CB 4.44Å; E277-V307 HydrophobicContact CB-CG1 3.57Å; E277-V307 HydrophobicContact CG-CG1 4.07Å; V281-V307 HydrophobicContact CG2-CG2 4.32Å; A303-V307 WeakPolarHBondContact O-CG2 3.15Å; A303-V307 PolarHBondContact O-N 3Å; C304-V307 PolarHBondContact O-N 3.49Å; N305-V307 VanDerWaalsContact C-N 3.34Å; N305-V307 PolarHBondContact O-N 2.95Å
308	I	94.3	Very high	93	Very high	4 Å²	4	74.4 Å²	74.4	2%	0.021	42%	0.417	C	S	.	.	H	α-helix	trans	-90.3	-12.6	178.3	64.1	162.1	0	0	0	115.1	R275 C278 C304 N305 A306 K310 L315 E319 V321	R275-I308 HydrophobicContact CB-CG2 4.11Å; R275-I308 HydrophobicContact CG-CG2 4.18Å; R275-I308 VanDerWaalsContact NH1-CB 3.26Å; R275-I308 PolarHBondContact NH1-O 3.29Å; R275-I308 PolarHBondContact NH2-O 3.48Å; C278-I308 WeakPolarHBondContact SG-CG2 3.42Å; C304-I308 WeakPolarHBondContact O-CG1 3.48Å; C304-I308 PolarHBondContact O-N 3.46Å; N305-I308 WeakPolarHBondContact O-CG1 3.47Å; N305-I308 PolarHBondContact O-N 3.28Å; A306-I308 VanDerWaalsContact C-N 3.35Å; A306-I308 PolarHBondContact O-N 3.03Å; I308-K310 PolarHBondContact O-N 2.88Å; I308-L315 HydrophobicContact CB-CD2 4.45Å; I308-L315 HydrophobicContact CD1-CD1 4.01Å; I308-L315 HydrophobicContact CD1-CD2 3.78Å; I308-L315 HydrophobicContact CG1-CD1 3.84Å; I308-L315 HydrophobicContact CG1-CD2 3.88Å; I308-E319 WeakPolarHBondContact CD1-O 3.45Å; I308-V321 HydrophobicContact CD1-CG2 4.12Å
309	Q	93.4	Very high	92.6	Very high	81 Å²	81	72.3 Å²	72.3	38%	0.379	41%	0.407	S	S	.	.			trans	-74.5	114.8	-179.3	175.5	57.5	59.5	0	0	110.1	N305 K313 L315	N305-Q309 WeakPolarHBondContact O-CB 3.38Å; N305-Q309 PolarHBondContact O-N 3.24Å; Q309-K313 PolarHBondContact NE2-O 3.13Å; Q309-L315 HydrophobicContact CB-CD1 4.17Å; Q309-L315 HydrophobicContact CB-CG 4.48Å
310	K	88.8	Confident	92.5	Very high	139 Å²	139	74 Å²	74	60%	0.604	41%	0.411	S	S	*	.	B	Isolated β-bridge	trans	-81.7	146.2	175.3	-66	-165.6	177.2	-166.2	0	110.8	I308 G312 K313	I308-K310 PolarHBondContact O-N 2.88Å; K310-G312 PolarHBondContact O-N 2.94Å; K310-K313 HydrophobicContact CB-CB 4.47Å; K310-K313 PolarHBondContact O-N 3.29Å
311	P	88.3	Confident	92.4	Very high	132 Å²	132	74.2 Å²	74.2	86%	0.857	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	135.5	170.3	-26.6	35.3	0	0	0	111.3	K313	P311-K313 PolarHBondContact O-N 3.22Å
312	G	83.8	Confident	92.4	Very high	95 Å²	95	76.8 Å²	76.8	98%	0.979	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	-12.7	178.4	0	0	0	0	0	117.4	K310	K310-G312 PolarHBondContact O-N 2.94Å
313	K	89.7	Confident	92.4	Very high	135 Å²	135	72.8 Å²	72.8	59%	0.587	41%	0.408	S	S	*	.	B	Isolated β-bridge	trans	-118.9	103.4	-176.1	-177.7	-178.9	176.2	179.3	0	112.7	Q309 K310 P311	Q309-K313 PolarHBondContact NE2-O 3.13Å; K310-K313 HydrophobicContact CB-CB 4.47Å; K310-K313 PolarHBondContact O-N 3.29Å; P311-K313 PolarHBondContact O-N 3.22Å
314	K	88	Confident	92.4	Very high	189 Å²	189	76.6 Å²	76.6	82%	0.822	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-53.5	137.8	172.9	-65.2	-178	179.8	178.9	0	111.5
315	L	89	Confident	92.3	Very high	20 Å²	20	79 Å²	79	11%	0.105	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-62.3	135.8	173	-72.9	163.2	0	0	0	111.6	N305 I308 Q309 E319	N305-L315 HydrophobicContact CB-CD1 4.04Å; I308-L315 HydrophobicContact CB-CD2 4.45Å; I308-L315 HydrophobicContact CD1-CD1 4.01Å; I308-L315 HydrophobicContact CD1-CD2 3.78Å; I308-L315 HydrophobicContact CG1-CD1 3.84Å; I308-L315 HydrophobicContact CG1-CD2 3.88Å; Q309-L315 HydrophobicContact CB-CD1 4.17Å; Q309-L315 HydrophobicContact CB-CG 4.48Å; L315-E319 HydrophobicContact CD2-CB 4.24Å
316	S	89.1	Confident	92.3	Very high	48 Å²	48	78 Å²	78	34%	0.336	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-73.3	153.9	170.4	67.6	0	0	0	0	111	L318 E319 R320	S316-L318 PolarHBondContact O-N 3.15Å; S316-E319 CarbonylContact O-C 3.57Å; S316-E319 PolarHBondContact O-N 2.88Å; S316-E319 WeakPolarHBondContact OG-CG 3.44Å; S316-E319 PolarHBondContact OG-N 3.35Å; S316-E319 PolarHBondContact OG-OE2 3.45Å; S316-R320 WeakPolarHBondContact O-CB 3.36Å; S316-R320 PolarHBondContact O-N 3.42Å
317	D	85.6	Confident	92.4	Very high	121 Å²	121	79.2 Å²	79.2	65%	0.647	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.5	-179.6	-59.4	-40.4	0	0	0	113.2	E319 R320	D317-E319 VanDerWaalsContact C-N 3.3Å; D317-R320 IonicContact OD1-CZ 2.8Å; D317-R320 IonicContact OD1-NE 2.67Å; D317-R320 PolarHBondContact OD1-NE 2.97Å; D317-R320 VanDerWaalsContact OD1-NE 3.12Å; D317-R320 IonicContact OD1-NH2 3.2Å
318	L	87.1	Confident	92.5	Very high	100 Å²	100	78.9 Å²	78.9	52%	0.524	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-27.8	170	-66.3	177.1	0	0	0	112.9	F272 S316	F272-L318 WeakPolarHBondContact CD2-O 3.39Å; S316-L318 PolarHBondContact O-N 3.15Å
319	E	90.6	Very high	92.7	Very high	62 Å²	62	80 Å²	80	29%	0.29	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-24.2	179.5	-66.9	174.6	96.3	0	0	113.5	F272 R275 I308 L315 S316 D317 V321	F272-E319 WeakPolarHBondContact CE2-O 3.49Å; R275-E319 IonicContact CZ-OE1 2.97Å; R275-E319 IonicContact NE-OE1 2.63Å; R275-E319 IonicContact NH2-OE1 3.46Å; R275-E319 PolarHBondContact NH2-OE1 3.24Å; I308-E319 WeakPolarHBondContact CD1-O 3.45Å; L315-E319 HydrophobicContact CD2-CB 4.24Å; S316-E319 CarbonylContact O-C 3.57Å; S316-E319 PolarHBondContact O-N 2.88Å; S316-E319 WeakPolarHBondContact OG-CG 3.44Å; S316-E319 PolarHBondContact OG-N 3.35Å; S316-E319 PolarHBondContact OG-OE2 3.45Å; D317-E319 VanDerWaalsContact C-N 3.3Å; E319-V321 PolarHBondContact O-N 2.9Å
320	R	94.6	Very high	92.9	Very high	115 Å²	115	76.1 Å²	76.1	43%	0.434	40%	0.4	S	S	.	.			trans	-59	127.6	-177.2	-173.1	-170.7	-64.3	-101.9	-0.1	111.5	S316 D317 K325	S316-R320 WeakPolarHBondContact O-CB 3.36Å; S316-R320 PolarHBondContact O-N 3.42Å; D317-R320 IonicContact OD1-CZ 2.8Å; D317-R320 IonicContact OD1-NE 2.67Å; D317-R320 PolarHBondContact OD1-NE 2.97Å; D317-R320 VanDerWaalsContact OD1-NE 3.12Å; D317-R320 IonicContact OD1-NH2 3.2Å; R320-K325 PolarHBondContact O-NZ 2.88Å
321	V	97.2	Very high	93.3	Very high	4 Å²	4	70.2 Å²	70.2	2%	0.024	38%	0.377	C	S	.	.			trans	-80.3	140.9	170	-173.1	0	0	0	0	109.2	F272 W274 A301 C304 N305 I308 E319 V326	F272-V321 HydrophobicContact CE2-CG2 4.33Å; F272-V321 HydrophobicContact CZ-CG2 4.11Å; W274-V321 HydrophobicContact CH2-CG1 3.97Å; W274-V321 HydrophobicContact CZ3-CG1 3.74Å; W274-V321 HydrophobicContact CZ3-CG2 4.08Å; A301-V321 HydrophobicContact CB-CG1 4.05Å; C304-V321 HydrophobicContact CB-CB 4.16Å; C304-V321 HydrophobicContact CB-CG1 4.09Å; C304-V321 HydrophobicContact CB-CG2 3.93Å; N305-V321 PolarHBondContact ND2-O 3.02Å; N305-V321 WeakPolarHBondContact OD1-CB 3.39Å; N305-V321 PolarHBondContact OD1-N 3.43Å; I308-V321 HydrophobicContact CD1-CG2 4.12Å; E319-V321 PolarHBondContact O-N 2.9Å; V321-V326 HydrophobicContact CG1-CG2 3.73Å
322	T	97.4	Very high	93.8	Very high	56 Å²	56	68.3 Å²	68.3	34%	0.344	36%	0.359	S	S	.	.			trans	-130	158.6	177.9	63.5	0	0	0	0	109.8	L324 K325 V326	T322-L324 PolarHBondContact O-N 2.84Å; T322-K325 WeakPolarHBondContact O-CA 3.26Å; T322-K325 WeakPolarHBondContact O-CB 3.36Å; T322-K325 PolarHBondContact O-N 3.05Å; T322-K325 WeakPolarHBondContact OG1-CG 3.37Å; T322-K325 PolarHBondContact OG1-N 3.07Å; T322-V326 PolarHBondContact O-N 3.14Å
323	S	97.6	Very high	94.4	Very high	25 Å²	25	67.4 Å²	67.4	18%	0.175	33%	0.326	C	S	.	.	H	α-helix	trans	-54	-40.7	178.4	66.8	0	0	0	0	112	E294 K325 V326 Y327	E294-S323 WeakPolarHBondContact OE1-CB 3.23Å; E294-S323 PolarHBondContact OE1-OG 3.45Å; S323-K325 PolarHBondContact O-N 3.18Å; S323-V326 WeakPolarHBondContact O-CB 3.12Å; S323-V326 PolarHBondContact O-N 2.95Å; S323-Y327 PolarHBondContact O-N 2.78Å
324	L	97.3	Very high	94.8	Very high	109 Å²	109	62.9 Å²	62.9	57%	0.571	31%	0.306	S	S	*	.	H	α-helix	trans	-60.9	-39.2	174.2	-179.1	62.1	0	0	0	113.2	T322 Y327 N328	T322-L324 PolarHBondContact O-N 2.84Å; L324-Y327 HydrophobicContact CD1-CD1 4.44Å; L324-N328 WeakPolarHBondContact CD1-ND2 3.37Å; L324-N328 PolarHBondContact O-N 3.24Å; L324-N328 VanDerWaalsContact O-N 3.12Å; L324-N328 PolarHBondContact O-ND2 2.7Å
325	K	96.8	Very high	95.2	Very high	50 Å²	50	60.5 Å²	60.5	22%	0.217	30%	0.296	C	S	.	.	H	α-helix	trans	-65.3	-44.4	175	-72.6	172.7	179.1	178.4	0	109.9	F272 W274 R320 T322 S323 N328 W329	F272-K325 HydrophobicContact CD1-CD 3.83Å; F272-K325 HydrophobicContact CD1-CG 4.39Å; F272-K325 HydrophobicContact CD2-CD 3.99Å; F272-K325 HydrophobicContact CE1-CB 4.45Å; F272-K325 HydrophobicContact CE1-CD 3.82Å; F272-K325 HydrophobicContact CE1-CG 4.39Å; F272-K325 HydrophobicContact CE2-CD 3.99Å; F272-K325 HydrophobicContact CG-CD 3.9Å; F272-K325 HydrophobicContact CZ-CD 3.91Å; W274-K325 HydrophobicContact CH2-CB 3.8Å; W274-K325 HydrophobicContact CZ2-CB 3.97Å; W274-K325 WeakPolarHBondContact CZ2-O 3.4Å; R320-K325 PolarHBondContact O-NZ 2.88Å; T322-K325 WeakPolarHBondContact O-CA 3.26Å; T322-K325 WeakPolarHBondContact O-CB 3.36Å; T322-K325 PolarHBondContact O-N 3.05Å; T322-K325 WeakPolarHBondContact OG1-CG 3.37Å; T322-K325 PolarHBondContact OG1-N 3.07Å; S323-K325 PolarHBondContact O-N 3.18Å; K325-N328 PolarHBondContact O-N 3.35Å; K325-W329 PolarHBondContact O-N 3.5Å
326	V	98.2	Very high	95.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-49.7	175.8	177.6	0	0	0	0	111.1	W274 M282 R297 I300 A301 V321 T322 S323 N328 W329 F330	W274-V326 HydrophobicContact CH2-CG2 4.49Å; M282-V326 HydrophobicContact SD-CG1 4.5Å; M282-V326 HydrophobicContact SD-CG2 4.32Å; R297-V326 HydrophobicContact CB-CG1 4.38Å; R297-V326 HydrophobicContact CG-CG1 4.32Å; I300-V326 HydrophobicContact CB-CG1 4.04Å; I300-V326 HydrophobicContact CD1-CG1 4.38Å; I300-V326 HydrophobicContact CG2-CG1 3.64Å; I300-V326 HydrophobicContact CG2-CG2 4.04Å; A301-V326 HydrophobicContact CB-CG2 3.91Å; V321-V326 HydrophobicContact CG1-CG2 3.73Å; T322-V326 PolarHBondContact O-N 3.14Å; S323-V326 WeakPolarHBondContact O-CB 3.12Å; S323-V326 PolarHBondContact O-N 2.95Å; V326-N328 VanDerWaalsContact C-N 3.3Å; V326-N328 PolarHBondContact O-N 3.45Å; V326-W329 WeakPolarHBondContact O-CA 3.37Å; V326-W329 WeakPolarHBondContact O-CB 3.48Å; V326-W329 PolarHBondContact O-N 2.96Å; V326-F330 HydrophobicContact CG1-CD2 3.66Å; V326-F330 HydrophobicContact CG1-CE2 3.66Å; V326-F330 WeakPolarHBondContact O-CD2 3.31Å; V326-F330 PolarHBondContact O-N 3.42Å
327	Y	98.1	Very high	95.7	Very high	97 Å²	97	63.3 Å²	63.3	38%	0.38	30%	0.304	S	S	.	.	H	α-helix	trans	-50.4	-49.1	174.9	172	-107.3	0	0	0	112.3	S323 L324 W329 F330 A331	S323-Y327 PolarHBondContact O-N 2.78Å; L324-Y327 HydrophobicContact CD1-CD1 4.44Å; Y327-W329 VanDerWaalsContact C-N 3.34Å; Y327-W329 PolarHBondContact O-N 2.7Å; Y327-F330 PolarHBondContact O-N 2.96Å; Y327-A331 WeakPolarHBondContact O-CB 3.45Å; Y327-A331 PolarHBondContact O-N 2.7Å
328	N	97.9	Very high	96.1	Very high	75 Å²	75	64.7 Å²	64.7	40%	0.401	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-36.2	178.8	-82.2	-75	0	0	0	112.4	L324 K325 V326 N332	L324-N328 WeakPolarHBondContact CD1-ND2 3.37Å; L324-N328 PolarHBondContact O-N 3.24Å; L324-N328 VanDerWaalsContact O-N 3.12Å; L324-N328 PolarHBondContact O-ND2 2.7Å; K325-N328 PolarHBondContact O-N 3.35Å; V326-N328 VanDerWaalsContact C-N 3.3Å; V326-N328 PolarHBondContact O-N 3.45Å; N328-N332 WeakPolarHBondContact O-CB 3.44Å; N328-N332 VanDerWaalsContact O-CG 3.25Å; N328-N332 PolarHBondContact O-N 2.8Å; N328-N332 PolarHBondContact O-ND2 2.86Å
329	W	98	Very high	96.3	Very high	26 Å²	26	67.4 Å²	67.4	10%	0.098	31%	0.308	C	S	.	.	H	α-helix	trans	-64.1	-50.6	174.1	-173.6	97.6	0	0	0	111.1	W274 L279 M282 E283 F286 K325 V326 Y327 A331 N332 R333	W274-W329 AromaticContact CD1-CD1 3.98Å; W274-W329 AromaticContact CE2-CD1 3.7Å; W274-W329 HydrophobicContact CH2-CB 4.37Å; W274-W329 HydrophobicContact CZ2-CB 3.7Å; W274-W329 HydrophobicContact CZ2-CG 4.24Å; W274-W329 AromaticContact NE1-CD1 3.59Å; L279-W329 HydrophobicContact CD2-CZ2 4.43Å; M282-W329 HydrophobicContact CB-CD2 4.12Å; M282-W329 HydrophobicContact CB-CE3 3.85Å; M282-W329 HydrophobicContact CB-CH2 3.89Å; M282-W329 HydrophobicContact CB-CZ2 4.15Å; M282-W329 HydrophobicContact CB-CZ3 3.74Å; M282-W329 HydrophobicContact CE-CB 4.31Å; M282-W329 VanDerWaalsContact CE-CD1 3.48Å; M282-W329 HydrophobicContact CE-CD2 3.77Å; M282-W329 HydrophobicContact CE-CG 3.61Å; M282-W329 HydrophobicContact CG-CE3 4.5Å; M282-W329 HydrophobicContact SD-CB 3.91Å; M282-W329 HydrophobicContact SD-CD2 3.8Å; M282-W329 HydrophobicContact SD-CE3 4.1Å; M282-W329 HydrophobicContact SD-CG 3.7Å; E283-W329 HydrophobicContact CG-CH2 3.64Å; E283-W329 HydrophobicContact CG-CZ2 3.77Å; F286-W329 HydrophobicContact CB-CH2 4.35Å; F286-W329 HydrophobicContact CB-CZ3 4.04Å; F286-W329 AromaticContact CD2-CZ3 3.88Å; F286-W329 HydrophobicContact CD2-CZ3 3.88Å; F286-W329 HydrophobicContact CG-CZ3 4.2Å; K325-W329 PolarHBondContact O-N 3.5Å; V326-W329 WeakPolarHBondContact O-CA 3.37Å; V326-W329 WeakPolarHBondContact O-CB 3.48Å; V326-W329 PolarHBondContact O-N 2.96Å; Y327-W329 VanDerWaalsContact C-N 3.34Å; Y327-W329 PolarHBondContact O-N 2.7Å; W329-A331 PolarHBondContact O-N 3.4Å; W329-N332 PolarHBondContact O-N 3.23Å; W329-N332 VanDerWaalsContact O-N 3.14Å; W329-R333 HydrophobicContact CE3-CB 4.21Å; W329-R333 HydrophobicContact CH2-CB 4.24Å; W329-R333 HydrophobicContact CH2-CG 3.93Å; W329-R333 HydrophobicContact CZ2-CG 4.48Å; W329-R333 HydrophobicContact CZ3-CB 4.02Å; W329-R333 HydrophobicContact CZ3-CG 4.07Å; W329-R333 WeakPolarHBondContact O-CB 3.45Å; W329-R333 PolarHBondContact O-N 3.1Å
330	F	98.4	Very high	96.4	Very high	1 Å²	1	71.9 Å²	71.9	0%	0.004	32%	0.322	C	S	.	.	H	α-helix	trans	-58.9	-44.8	178	-87.3	-106.1	0	0	0	111.7	M282 F286 N289 P292 I300 V326 Y327 N332 R333 R334	M282-F330 HydrophobicContact CB-CE2 4.25Å; M282-F330 HydrophobicContact CG-CE2 4.37Å; F286-F330 HydrophobicContact CB-CE1 3.93Å; F286-F330 HydrophobicContact CB-CZ 4.18Å; F286-F330 AromaticContact CD2-CD1 3.53Å; F286-F330 HydrophobicContact CD2-CD1 3.53Å; F286-F330 AromaticContact CD2-CE1 3.7Å; F286-F330 HydrophobicContact CD2-CE1 3.7Å; F286-F330 HydrophobicContact CD2-CG 4.22Å; F286-F330 HydrophobicContact CD2-CZ 4.49Å; F286-F330 HydrophobicContact CE2-CD1 4.17Å; F286-F330 HydrophobicContact CG-CE1 4.27Å; N289-F330 WeakPolarHBondContact O-CE1 3.36Å; P292-F330 HydrophobicContact CG-CD1 3.61Å; P292-F330 HydrophobicContact CG-CD2 4.32Å; P292-F330 HydrophobicContact CG-CE1 3.67Å; P292-F330 HydrophobicContact CG-CE2 4.4Å; P292-F330 HydrophobicContact CG-CG 3.97Å; P292-F330 HydrophobicContact CG-CZ 4.1Å; I300-F330 HydrophobicContact CD1-CE2 4.05Å; I300-F330 HydrophobicContact CD1-CZ 3.83Å; V326-F330 HydrophobicContact CG1-CD2 3.66Å; V326-F330 HydrophobicContact CG1-CE2 3.66Å; V326-F330 WeakPolarHBondContact O-CD2 3.31Å; V326-F330 PolarHBondContact O-N 3.42Å; Y327-F330 PolarHBondContact O-N 2.96Å; F330-N332 VanDerWaalsContact C-N 3.33Å; F330-N332 PolarHBondContact O-N 3.16Å; F330-R333 PolarHBondContact O-N 3.23Å; F330-R334 WeakPolarHBondContact O-CG 3.47Å; F330-R334 PolarHBondContact O-N 3.26Å
331	A	97.4	Very high	96.2	Very high	15 Å²	15	69.3 Å²	69.3	12%	0.124	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-38.9	176.5	0	0	0	0	0	112.9	Y327 W329 K335	Y327-A331 WeakPolarHBondContact O-CB 3.45Å; Y327-A331 PolarHBondContact O-N 2.7Å; W329-A331 PolarHBondContact O-N 3.4Å; A331-K335 WeakPolarHBondContact O-CG 3.5Å; A331-K335 PolarHBondContact O-N 2.84Å
332	N	97.6	Very high	95.7	Very high	91 Å²	91	73.9 Å²	73.9	49%	0.487	35%	0.35	S	S	.	.	H	α-helix	trans	-74.8	-36.2	176.1	-71.5	-39	0	0	0	112.4	N328 W329 F330 R334 K335 E336	N328-N332 WeakPolarHBondContact O-CB 3.44Å; N328-N332 VanDerWaalsContact O-CG 3.25Å; N328-N332 PolarHBondContact O-N 2.8Å; N328-N332 PolarHBondContact O-ND2 2.86Å; W329-N332 PolarHBondContact O-N 3.23Å; W329-N332 VanDerWaalsContact O-N 3.14Å; F330-N332 VanDerWaalsContact C-N 3.33Å; F330-N332 PolarHBondContact O-N 3.16Å; N332-R334 PolarHBondContact O-N 3.14Å; N332-K335 WeakPolarHBondContact O-CB 3.22Å; N332-K335 PolarHBondContact O-N 2.62Å; N332-E336 WeakPolarHBondContact O-CB 3.33Å; N332-E336 PolarHBondContact O-N 3.32Å
333	R	97.5	Very high	95.3	Very high	76 Å²	76	75.4 Å²	75.4	29%	0.287	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-43.2	176.2	-174.6	59.1	171.6	-152.4	-12.9	111.7	E283 F286 W329 F330 K335 E336 I337	E283-R333 IonicContact OE1-CZ 2.93Å; E283-R333 IonicContact OE1-NH1 2.75Å; E283-R333 PolarHBondContact OE1-NH1 3.12Å; E283-R333 VanDerWaalsContact OE1-NH1 3.13Å; E283-R333 IonicContact OE1-NH2 2.79Å; E283-R333 PolarHBondContact OE1-NH2 3.46Å; F286-R333 HydrophobicContact CD1-CG 4.15Å; F286-R333 HydrophobicContact CD2-CB 4.13Å; F286-R333 HydrophobicContact CD2-CG 3.8Å; F286-R333 HydrophobicContact CE1-CG 3.91Å; F286-R333 HydrophobicContact CE2-CB 3.72Å; F286-R333 HydrophobicContact CE2-CG 3.53Å; F286-R333 HydrophobicContact CG-CG 4.12Å; F286-R333 HydrophobicContact CZ-CB 4.16Å; F286-R333 HydrophobicContact CZ-CG 3.61Å; W329-R333 HydrophobicContact CE3-CB 4.21Å; W329-R333 HydrophobicContact CH2-CB 4.24Å; W329-R333 HydrophobicContact CH2-CG 3.93Å; W329-R333 HydrophobicContact CZ2-CG 4.48Å; W329-R333 HydrophobicContact CZ3-CB 4.02Å; W329-R333 HydrophobicContact CZ3-CG 4.07Å; W329-R333 WeakPolarHBondContact O-CB 3.45Å; W329-R333 PolarHBondContact O-N 3.1Å; F330-R333 PolarHBondContact O-N 3.23Å; R333-K335 PolarHBondContact O-N 3.24Å; R333-E336 PolarHBondContact O-N 3.32Å; R333-I337 HydrophobicContact CG-CD1 4.38Å; R333-I337 WeakPolarHBondContact O-CG1 3.37Å; R333-I337 PolarHBondContact O-N 3.47Å
334	R	97.7	Very high	94.7	Very high	40 Å²	40	76.7 Å²	76.7	15%	0.151	37%	0.367	C	S	.	.	H	α-helix	trans	-61.5	-39.3	172.8	-66.1	-170.8	-57.7	-95	3.9	112.8	F286 Q290 Y291 F330 N332 K338	F286-R334 HydrophobicContact CE2-CG 3.75Å; F286-R334 HydrophobicContact CZ-CG 3.79Å; Q290-R334 WeakPolarHBondContact O-CD 3.27Å; Q290-R334 PolarHBondContact O-NH1 3.37Å; Y291-R334 VanDerWaalsContact CE1-CD 3.47Å; F330-R334 WeakPolarHBondContact O-CG 3.47Å; F330-R334 PolarHBondContact O-N 3.26Å; N332-R334 PolarHBondContact O-N 3.14Å; R334-K338 WeakPolarHBondContact O-CG 3.48Å; R334-K338 PolarHBondContact O-N 3.18Å
335	K	96.6	Very high	94.1	Very high	140 Å²	140	73.8 Å²	73.8	61%	0.609	36%	0.359	S	S	*	.	H	α-helix	trans	-66.4	-40.6	175.4	-72.3	172.3	-177.8	177.8	0	112.1	A331 N332 R333 K338 R339	A331-K335 WeakPolarHBondContact O-CG 3.5Å; A331-K335 PolarHBondContact O-N 2.84Å; N332-K335 WeakPolarHBondContact O-CB 3.22Å; N332-K335 PolarHBondContact O-N 2.62Å; R333-K335 PolarHBondContact O-N 3.24Å; K335-K338 PolarHBondContact O-N 3.37Å; K335-R339 WeakPolarHBondContact O-CB 3.32Å; K335-R339 PolarHBondContact O-N 3.19Å
336	E	95.3	Very high	93.2	Very high	54 Å²	54	75.4 Å²	75.4	25%	0.252	37%	0.369	S	S	.	.	H	α-helix	trans	-65.3	-42.7	178.9	179.4	64	-175.2	0	0	111.8	N332 R333 R339 R340	N332-E336 WeakPolarHBondContact O-CB 3.33Å; N332-E336 PolarHBondContact O-N 3.32Å; R333-E336 PolarHBondContact O-N 3.32Å; E336-R339 WeakPolarHBondContact O-CB 3.3Å; E336-R339 PolarHBondContact O-N 3.33Å; E336-R339 IonicContact OE2-NH1 3.83Å; E336-R339 PolarHBondContact OE2-NH1 3.37Å; E336-R340 WeakPolarHBondContact O-CG 3.4Å; E336-R340 PolarHBondContact O-N 2.77Å; E336-R340 IonicContact OE1-CZ 2.7Å; E336-R340 VanDerWaalsContact OE1-CZ 3.31Å; E336-R340 IonicContact OE1-NE 3Å; E336-R340 PolarHBondContact OE1-NE 3.43Å; E336-R340 IonicContact OE1-NH2 2.73Å; E336-R340 PolarHBondContact OE1-NH2 2.84Å
337	I	92.3	Very high	92.1	Very high	72 Å²	72	79.6 Å²	79.6	37%	0.369	39%	0.391	S	S	.	.	H	α-helix	trans	-60.2	-48.2	174.9	-68.7	166.9	0	0	0	110.9	F286 R333 R339 R340 A341	F286-I337 HydrophobicContact CE1-CD1 3.41Å; F286-I337 VanDerWaalsContact CE1-CD1 3.41Å; F286-I337 HydrophobicContact CZ-CD1 3.66Å; R333-I337 HydrophobicContact CG-CD1 4.38Å; R333-I337 WeakPolarHBondContact O-CG1 3.37Å; R333-I337 PolarHBondContact O-N 3.47Å; I337-R339 VanDerWaalsContact C-N 3.3Å; I337-R339 PolarHBondContact O-N 2.68Å; I337-R340 PolarHBondContact O-N 2.95Å; I337-A341 PolarHBondContact O-N 2.93Å
338	K	94.1	Very high	90.9	Very high	151 Å²	151	82.5 Å²	82.5	66%	0.657	41%	0.408	S	S	*	.	H	α-helix	trans	-60.4	-38.5	176.3	-71.2	-173.8	178	-167.4	0	112.6	R334 K335 N342	R334-K338 WeakPolarHBondContact O-CG 3.48Å; R334-K338 PolarHBondContact O-N 3.18Å; K335-K338 PolarHBondContact O-N 3.37Å; K338-N342 WeakPolarHBondContact O-CB 3.32Å; K338-N342 PolarHBondContact O-N 3.32Å; K338-N342 VanDerWaalsContact O-N 3.12Å
339	R	92.8	Very high	89.3	Confident	156 Å²	156	83.2 Å²	83.2	59%	0.589	42%	0.419	S	S	*	.	H	α-helix	trans	-64	-47.2	175	-178.8	-169.5	-69.1	173.4	-8	111.4	K335 E336 I337 N342 I343	K335-R339 WeakPolarHBondContact O-CB 3.32Å; K335-R339 PolarHBondContact O-N 3.19Å; E336-R339 WeakPolarHBondContact O-CB 3.3Å; E336-R339 PolarHBondContact O-N 3.33Å; E336-R339 IonicContact OE2-NH1 3.83Å; E336-R339 PolarHBondContact OE2-NH1 3.37Å; I337-R339 VanDerWaalsContact C-N 3.3Å; I337-R339 PolarHBondContact O-N 2.68Å; R339-N342 PolarHBondContact O-N 2.91Å; R339-I343 HydrophobicContact CG-CD1 3.83Å; R339-I343 HydrophobicContact CG-CG1 4.5Å; R339-I343 WeakPolarHBondContact O-CG1 3.44Å; R339-I343 PolarHBondContact O-N 3.42Å
340	R	91.4	Very high	87.8	Confident	156 Å²	156	88.3 Å²	88.3	59%	0.589	44%	0.444	S	S	*	.	H	α-helix	trans	-62.8	-42.6	179.4	-72.7	179.7	-173.7	-150.6	-2.3	112	E336 I337 N342 I343 A344	E336-R340 WeakPolarHBondContact O-CG 3.4Å; E336-R340 PolarHBondContact O-N 2.77Å; E336-R340 IonicContact OE1-CZ 2.7Å; E336-R340 VanDerWaalsContact OE1-CZ 3.31Å; E336-R340 IonicContact OE1-NE 3Å; E336-R340 PolarHBondContact OE1-NE 3.43Å; E336-R340 IonicContact OE1-NH2 2.73Å; E336-R340 PolarHBondContact OE1-NH2 2.84Å; I337-R340 PolarHBondContact O-N 2.95Å; R340-N342 VanDerWaalsContact C-N 3.35Å; R340-N342 PolarHBondContact O-N 3.48Å; R340-I343 PolarHBondContact O-N 3.12Å; R340-A344 WeakPolarHBondContact O-CB 3.49Å; R340-A344 PolarHBondContact O-N 2.94Å
341	A	90.3	Very high	85.7	Confident	61 Å²	61	91.3 Å²	91.3	50%	0.504	48%	0.475	S	S	.	.	H	α-helix	trans	-61	-42.1	175.3	0	0	0	0	0	112.2	I337 A344 A345	I337-A341 PolarHBondContact O-N 2.93Å; A341-A344 PolarHBondContact O-N 3.12Å; A341-A345 WeakPolarHBondContact O-CB 3.44Å; A341-A345 PolarHBondContact O-N 3.42Å
342	N	88.3	Confident	83.7	Confident	100 Å²	100	95.6 Å²	95.6	54%	0.535	50%	0.495	S	S	.	.	H	α-helix	trans	-64.7	-45.8	175.2	-171	-11.5	0	0	0	111.7	K338 R339 R340 A344 A345 I346	K338-N342 WeakPolarHBondContact O-CB 3.32Å; K338-N342 PolarHBondContact O-N 3.32Å; K338-N342 VanDerWaalsContact O-N 3.12Å; R339-N342 PolarHBondContact O-N 2.91Å; R340-N342 VanDerWaalsContact C-N 3.35Å; R340-N342 PolarHBondContact O-N 3.48Å; N342-A344 VanDerWaalsContact C-N 3.33Å; N342-A344 PolarHBondContact O-N 2.94Å; N342-A345 PolarHBondContact O-N 3.34Å; N342-I346 VanDerWaalsContact O-CG1 3.32Å; N342-I346 WeakPolarHBondContact O-CG1 3.12Å; N342-I346 PolarHBondContact O-N 3.31Å; N342-I346 VanDerWaalsContact OD1-CD1 3.29Å; N342-I346 WeakPolarHBondContact OD1-CD1 3.29Å
343	I	87.3	Confident	81.1	Confident	88 Å²	88	98.6 Å²	98.6	45%	0.451	51%	0.511	S	S	.	.	H	α-helix	trans	-61.1	-41.8	175.9	-67.2	168.3	0	0	0	111.3	R339 R340 I346 L347	R339-I343 HydrophobicContact CG-CD1 3.83Å; R339-I343 HydrophobicContact CG-CG1 4.5Å; R339-I343 WeakPolarHBondContact O-CG1 3.44Å; R339-I343 PolarHBondContact O-N 3.42Å; R340-I343 PolarHBondContact O-N 3.12Å; I343-I346 PolarHBondContact O-N 2.73Å; I343-L347 HydrophobicContact CG2-CD1 4.05Å; I343-L347 WeakPolarHBondContact O-CG 3.31Å; I343-L347 PolarHBondContact O-N 3.33Å
344	A	85.9	Confident	79	Confident	52 Å²	52	100.5 Å²	100.5	43%	0.43	53%	0.531	S	S	.	.	H	α-helix	trans	-62.1	-48.4	176.1	0	0	0	0	0	111.5	R340 A341 N342 I346 L347 E348	R340-A344 WeakPolarHBondContact O-CB 3.49Å; R340-A344 PolarHBondContact O-N 2.94Å; A341-A344 PolarHBondContact O-N 3.12Å; N342-A344 VanDerWaalsContact C-N 3.33Å; N342-A344 PolarHBondContact O-N 2.94Å; A344-I346 VanDerWaalsContact C-N 3.28Å; A344-I346 PolarHBondContact O-N 3.08Å; A344-L347 PolarHBondContact O-N 2.83Å; A344-L347 VanDerWaalsContact O-N 3.12Å; A344-E348 VanDerWaalsContact O-CB 3.31Å; A344-E348 WeakPolarHBondContact O-CB 3.27Å; A344-E348 PolarHBondContact O-N 3.22Å
345	A	83.6	Confident	76.3	Confident	49 Å²	49	107.1 Å²	107.1	41%	0.405	56%	0.563	S	S	.	*	H	α-helix	trans	-62.1	-33.6	176.2	0	0	0	0	0	112.8	A341 N342 S349	A341-A345 WeakPolarHBondContact O-CB 3.44Å; A341-A345 PolarHBondContact O-N 3.42Å; N342-A345 PolarHBondContact O-N 3.34Å; A345-S349 VanDerWaalsContact O-CB 3.27Å; A345-S349 WeakPolarHBondContact O-CB 3.49Å; A345-S349 PolarHBondContact O-N 3.32Å; A345-S349 PolarHBondContact O-OG 2.88Å
346	I	78.4	Confident	73.5	Confident	83 Å²	83	105 Å²	105	43%	0.426	57%	0.566	S	S	.	*	H	α-helix	trans	-65.6	-48.7	171.8	-71.2	167.7	0	0	0	110.2	N342 I343 A344 E348 S349 H350	N342-I346 VanDerWaalsContact O-CG1 3.32Å; N342-I346 WeakPolarHBondContact O-CG1 3.12Å; N342-I346 PolarHBondContact O-N 3.31Å; N342-I346 VanDerWaalsContact OD1-CD1 3.29Å; N342-I346 WeakPolarHBondContact OD1-CD1 3.29Å; I343-I346 PolarHBondContact O-N 2.73Å; A344-I346 VanDerWaalsContact C-N 3.28Å; A344-I346 PolarHBondContact O-N 3.08Å; I346-E348 PolarHBondContact O-N 3.23Å; I346-S349 WeakPolarHBondContact CA-OG 3.49Å; I346-S349 PolarHBondContact O-N 3.01Å; I346-S349 PolarHBondContact O-OG 3.41Å; I346-H350 PolarHBondContact O-N 3.22Å; I346-H350 VanDerWaalsContact O-N 3.08Å; I346-H350 PolarHBondContact O-ND1 2.73Å
347	L	75.1	Confident	71.1	Confident	89 Å²	89	108.9 Å²	108.9	47%	0.466	60%	0.596	S	S	.	*	H	α-helix	trans	-62.1	-42.3	179	-70.4	167.9	0	0	0	112.3	I343 A344 H350	I343-L347 HydrophobicContact CG2-CD1 4.05Å; I343-L347 WeakPolarHBondContact O-CG 3.31Å; I343-L347 PolarHBondContact O-N 3.33Å; A344-L347 PolarHBondContact O-N 2.83Å; A344-L347 VanDerWaalsContact O-N 3.12Å; L347-H350 PolarHBondContact O-N 3.26Å
348	E	73.5	Confident	68.4	Low	157 Å²	157	107.9 Å²	107.9	73%	0.734	60%	0.603	S	S	*	*	H	α-helix	trans	-63.9	-46.3	177.1	-173.1	174.7	-166.3	0	0	111.7	A344 I346 H350 G351	A344-E348 VanDerWaalsContact O-CB 3.31Å; A344-E348 WeakPolarHBondContact O-CB 3.27Å; A344-E348 PolarHBondContact O-N 3.22Å; I346-E348 PolarHBondContact O-N 3.23Å; E348-H350 PolarHBondContact O-N 3.39Å; E348-G351 PolarHBondContact O-N 2.91Å
349	S	64.3	Low	65.8	Low	91 Å²	91	104.6 Å²	104.6	64%	0.636	61%	0.613	S	S	*	*	H	α-helix	trans	-68.7	-13.6	174.9	56.9	0	0	0	0	114.7	A345 I346	A345-S349 VanDerWaalsContact O-CB 3.27Å; A345-S349 WeakPolarHBondContact O-CB 3.49Å; A345-S349 PolarHBondContact O-N 3.32Å; A345-S349 PolarHBondContact O-OG 2.88Å; I346-S349 WeakPolarHBondContact CA-OG 3.49Å; I346-S349 PolarHBondContact O-N 3.01Å; I346-S349 PolarHBondContact O-OG 3.41Å
350	H	67.1	Low	63	Low	133 Å²	133	105.5 Å²	105.5	62%	0.616	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	3.8	171.3	-74.2	64.2	0	0	0	113.2	I346 L347 E348 I352	I346-H350 PolarHBondContact O-N 3.22Å; I346-H350 VanDerWaalsContact O-N 3.08Å; I346-H350 PolarHBondContact O-ND1 2.73Å; L347-H350 PolarHBondContact O-N 3.26Å; E348-H350 PolarHBondContact O-N 3.39Å; H350-I352 HydrophobicContact CB-CG1 4.41Å; H350-I352 PolarHBondContact O-N 2.99Å
351	G	53.7	Low	60.6	Low	64 Å²	64	103.4 Å²	103.4	66%	0.66	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.9	26	173.4	0	0	0	0	0	114.1	E348 D353	E348-G351 PolarHBondContact O-N 2.91Å; G351-D353 PolarHBondContact O-N 2.96Å
352	I	54.4	Low	57.9	Low	105 Å²	105	107.5 Å²	107.5	54%	0.538	65%	0.646	S	S	.	*			trans	-87.2	91.1	174.7	-55.2	179.4	0	0	0	107.6	H350 V354	H350-I352 HydrophobicContact CB-CG1 4.41Å; H350-I352 PolarHBondContact O-N 2.99Å; I352-V354 VanDerWaalsContact C-N 3.32Å; I352-V354 HydrophobicContact CG2-CG2 4.3Å; I352-V354 PolarHBondContact O-N 2.86Å
353	D	44.2	Very low	55.6	Low	153 Å²	153	107.1 Å²	107.1	82%	0.818	65%	0.651	S	S	*	*			trans	-59.3	95.2	166.1	-99.8	-54.5	0	0	0	109.3	G351 Q355	G351-D353 PolarHBondContact O-N 2.96Å; D353-Q355 PolarHBondContact O-N 3.26Å
354	V	52.6	Low	53.4	Low	117 Å²	117	109.9 Å²	109.9	71%	0.709	67%	0.667	S	S	*	*			trans	-75.3	84.3	161.8	179.6	0	0	0	0	106.4	I352 S356	I352-V354 VanDerWaalsContact C-N 3.32Å; I352-V354 HydrophobicContact CG2-CG2 4.3Å; I352-V354 PolarHBondContact O-N 2.86Å; V354-S356 PolarHBondContact O-N 2.85Å
355	Q	40.3	Very low	51.4	Low	178 Å²	178	114.6 Å²	114.6	83%	0.832	69%	0.685	S	S	*	*			trans	-58.8	106.1	170.7	-158.1	151.1	24.7	0	0	107.5	D353	D353-Q355 PolarHBondContact O-N 3.26Å
356	S	38.8	Very low	49.7	Very low	96 Å²	96	119 Å²	119	67%	0.671	71%	0.706	S	S	*	*			trans	-57.3	140.8	176.8	-72.7	0	0	0	0	108.5	V354 G358	V354-S356 PolarHBondContact O-N 2.85Å; S356-G358 VanDerWaalsContact C-N 3.25Å; S356-G358 PolarHBondContact O-N 3.46Å
357	P	44.3	Very low	48	Very low	135 Å²	135	123 Å²	123	88%	0.877	73%	0.728	S	S	*	*			trans	-63.8	89.5	173.8	-19.7	32.5	0	0	0	109.8
358	G	36	Very low	45.9	Very low	51 Å²	51	122 Å²	122	53%	0.526	74%	0.739	S	S	.	*			trans	-63.1	135.2	173.1	0	0	0	0	0	109.1	S356 H360	S356-G358 VanDerWaalsContact C-N 3.25Å; S356-G358 PolarHBondContact O-N 3.46Å; G358-H360 PolarHBondContact O-CD2 2.7Å; G358-H360 PolarHBondContact O-N 3.04Å
359	G	40.1	Very low	43.9	Very low	83 Å²	83	121.6 Å²	121.6	86%	0.856	74%	0.742	S	S	*	*			trans	-66	103.2	178	0	0	0	0	0	110.7	S361	G359-S361 PolarHBondContact O-N 2.94Å
360	H	34.7	Very low	42.6	Very low	174 Å²	174	123 Å²	123	81%	0.806	74%	0.743	S	S	*	*			trans	-79.2	98	163.4	-72.2	-82.9	0	0	0	108.3	G358 N362	G358-H360 PolarHBondContact O-CD2 2.7Å; G358-H360 PolarHBondContact O-N 3.04Å; H360-N362 PolarHBondContact O-N 3.24Å
361	S	40	Very low	40.8	Very low	112 Å²	112	125.9 Å²	125.9	78%	0.783	75%	0.75	S	S	*	*			trans	-74.5	98.7	169.8	-174.2	0	0	0	0	108.5	G359 S363	G359-S361 PolarHBondContact O-N 2.94Å; S361-S363 VanDerWaalsContact C-N 3.33Å; S361-S363 PolarHBondContact O-N 3.4Å
362	N	34.2	Very low	40.1	Very low	147 Å²	147	127.5 Å²	127.5	79%	0.786	75%	0.751	S	S	*	*			trans	-70.2	92.2	169.2	-86.4	28.6	0	0	0	109.4	H360	H360-N362 PolarHBondContact O-N 3.24Å
363	S	39.2	Very low	39.1	Very low	92 Å²	92	130.3 Å²	130.3	64%	0.643	76%	0.762	S	S	*	*			trans	-107.8	92.9	156.3	-164.9	0	0	0	0	106.3	S361	S361-S363 VanDerWaalsContact C-N 3.33Å; S361-S363 PolarHBondContact O-N 3.4Å
364	D	42	Very low	38.5	Very low	146 Å²	146	130.8 Å²	130.8	78%	0.781	76%	0.759	S	S	*	*			trans	-114.4	101.1	167	-98.1	-56.1	0	0	0	107.2	V366	D364-V366 PolarHBondContact O-N 2.95Å
365	D	43.2	Very low	37.6	Very low	152 Å²	152	131.1 Å²	131.1	81%	0.813	76%	0.762	S	S	*	*			trans	-68.2	116.5	166.7	-64.1	-87.2	0	0	0	108.7
366	V	46.9	Very low	37.3	Very low	141 Å²	141	129.9 Å²	129.9	86%	0.855	76%	0.761	S	S	*	*			trans	-119.2	103.5	163.5	74.2	0	0	0	0	109.6	D364	D364-V366 PolarHBondContact O-N 2.95Å
367	D	42.7	Very low	37.2	Very low	166 Å²	166	137 Å²	137	89%	0.888	77%	0.773	S	S	*	*			trans	-76.5	140.8	171.8	-171.1	11.4	0	0	0	109.6
368	G	32.5	Very low	36.7	Very low	68 Å²	68	138.6 Å²	138.6	70%	0.701	77%	0.771	S	S	*	*			trans	175.8	59.5	-164.3	0	0	0	0	0	119.4
369	N	31.7	Very low	36.8	Very low	149 Å²	149	145.7 Å²	145.7	80%	0.797	79%	0.79	S	S	*	*			trans	76.7	93.4	144.8	-140.1	96.1	0	0	0	120.9
370	D	35.8	Very low	36.7	Very low	121 Å²	121	146 Å²	146	65%	0.647	79%	0.785	S	S	*	*			trans	-3.2	126.7	133.2	-172.3	29.6	0	0	0	118.9
371	Y	30.2	Very low	36.8	Very low	194 Å²	194	146.1 Å²	146.1	76%	0.761	79%	0.786	S	S	*	*				-178.8	149.5	116.5	-120.4	-99.9	0	0	0	113.8
372	S	37.5	Very low	36.9	Very low	98 Å²	98	147.2 Å²	147.2	69%	0.685	79%	0.787	S	S	*	*			trans	105.6	77	160.4	-40.4	0	0	0	0	118.7
373	E	34.3	Very low	37.2	Very low	164 Å²	164	146.8 Å²	146.8	77%	0.766	79%	0.79	S	S	*	*				47.3	112.3	123.4	-75	-179.8	135.1	0	0	122.6
374	Q	30.6	Very low	37.2	Very low	162 Å²	162	146 Å²	146	76%	0.757	79%	0.788	S	S	*	*				72.9	87.7	109.4	-163.8	170.2	-11.6	0	0	120.8
375	T	34.4	Very low	37	Very low	125 Å²	125	148 Å²	148	77%	0.767	79%	0.793	S	S	*	*			trans	176.1	137.7	138.8	21.2	0	0	0	0	106.7
376	D	35	Very low	36.8	Very low	152 Å²	152	153.7 Å²	153.7	81%	0.813	82%	0.815	S	S	*	*			cis	-136.8	142.9	2.1	-96.2	-57.1	0	0	0	110.8
377	R	35.7	Very low	36.3	Very low	245 Å²	245	154.3 Å²	154.3	93%	0.925	81%	0.813	S	S	*	*			trans	-117.8	102	158.4	-82.7	-173.2	176.6	-178.4	0.6	108
378	M	34.2	Very low	36	Very low	169 Å²	169	153.7 Å²	153.7	83%	0.833	81%	0.809	S	S	*	*			trans	-178.4	102.7	136.7	-158	76.3	75	0	0	111.4
379	Q	37.2	Very low	36.2	Very low	199 Å²	199	158.4 Å²	158.4	93%	0.93	82%	0.815	S	S	*	*			trans	-167.6	91.6	138.5	-107.1	153.9	29.9	0	0	109.4
380	A	38.6	Very low	36.4	Very low	90 Å²	90	159 Å²	159	74%	0.744	82%	0.816	S	S	*	*			trans	-82.5	177.2	160.7	0	0	0	0	0	109.8
381	E	37.5	Very low	36.5	Very low	176 Å²	176	161.4 Å²	161.4	82%	0.822	83%	0.827	S	S	*	*			trans	86.7	80.5	156.5	-146.1	160.5	-173	0	0	118.1
382	V	41.8	Very low	36.9	Very low	136 Å²	136	159.2 Å²	159.2	82%	0.824	83%	0.831	S	S	*	*				28	108.5	116.1	-175	0	0	0	0	116.8
383	V	40.3	Very low	36.8	Very low	138 Å²	138	163.6 Å²	163.6	84%	0.836	84%	0.841	S	S	*	*			trans	-139.8	109.4	146.4	179.4	0	0	0	0	110.4
384	A	39.2	Very low	37	Very low	74 Å²	74	163.5 Å²	163.5	61%	0.612	85%	0.847	S	S	*	*			trans	36.8	157.3	139.7	0	0	0	0	0	124.5
385	Q	38.5	Very low	37.6	Very low	188 Å²	188	163.7 Å²	163.7	88%	0.879	86%	0.855	S	S	*	*			trans	81.3	131.4	165.3	-58.1	170.3	-15.4	0	0	115.5
386	E	38.5	Very low	37.9	Very low	272 Å²	272	167.2 Å²	167.2	100%	1.271	86%	0.863	S	S	*	*			cis	-117.1	0	1.5	-70.4	-178	101.7	0	0	113.1

Retrieved 386 of 386 residues in 758.6 ms (Link to these results)

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