E5RGZ2_HUMAN 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 , UniProt , Accession E5RGZ2, Species HUMAN (Homo sapiens, Human), Gene HMBOX1, Length 386 aa.

Structure Viewer

Loading PAE data...

(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 53.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).