A0A077ZEL8_TRITR Loading...

Moesin/ezrin/radixin homolog 1

AlphaFold DB , UniProt , Accession A0A077ZEL8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 632 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	34.8	Very low	237 Å²	237	151.3 Å²	151.3	100%	1.167	81%	0.805	S	S	*	*				0	115.3	0	-79.5	168.3	143	0	0	107.8
2	V	37.1	Very low	34.6	Very low	136 Å²	136	159.7 Å²	159.7	82%	0.824	82%	0.818	S	S	*	*			trans	44	124.7	144.5	-168.2	0	0	0	0	117
3	N	35.9	Very low	34.7	Very low	129 Å²	129	155.8 Å²	155.8	69%	0.69	81%	0.814	S	S	*	*			cis	-172.2	148.9	3.5	-136.6	-12.5	0	0	0	109.1
4	Q	38.1	Very low	34.7	Very low	171 Å²	171	154.1 Å²	154.1	80%	0.799	81%	0.813	S	S	*	*			trans	64.1	100.7	150.1	-44.1	-165.8	9.4	0	0	122
5	G	36.3	Very low	34.6	Very low	61 Å²	61	152.9 Å²	152.9	63%	0.629	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-98.8	163.9	146.1	0	0	0	0	0	111.5
6	P	38.9	Very low	34.3	Very low	136 Å²	136	148.6 Å²	148.6	88%	0.883	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-77.5	125.8	-171.7	31.2	-31.4	0	0	0	111.2
7	K	36.4	Very low	34.3	Very low	167 Å²	167	147.4 Å²	147.4	73%	0.726	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-83.7	117.9	178.3	-76.3	-179	173.7	178.5	0	111.3	W9	K7-W9 HydrophobicContact CD-CZ2 4.35Å
8	T	30.5	Very low	34.2	Very low	136 Å²	136	149.8 Å²	149.8	83%	0.834	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-60.9	138.8	152.2	46.2	0	0	0	0	109.5
9	W	32	Very low	34.2	Very low	215 Å²	215	153.1 Å²	153.1	81%	0.814	82%	0.817	S	S	*	*			trans	-125.7	126.4	171.6	-80.9	98.5	0	0	0	111.2	K7	K7-W9 HydrophobicContact CD-CZ2 4.35Å
10	T	31.6	Very low	34.5	Very low	110 Å²	110	151.3 Å²	151.3	68%	0.675	81%	0.811	S	S	*	*			trans	-78.2	130.1	173.6	15	0	0	0	0	111.8
11	M	28.5	Very low	35	Very low	166 Å²	166	148.5 Å²	148.5	82%	0.818	80%	0.803	S	S	*	*				30.3	114.6	129.7	-145.2	-174.2	-38.7	0	0	119.7
12	W	31.4	Very low	35.2	Very low	252 Å²	252	146.5 Å²	146.5	96%	0.955	79%	0.788	S	S	*	*			trans	-134.2	130.7	145.1	-70.8	71.5	0	0	0	108.8
13	S	36.7	Very low	35.6	Very low	109 Å²	109	147.5 Å²	147.5	76%	0.762	78%	0.784	S	S	*	*			trans	-84.8	133.7	179.1	172.2	0	0	0	0	110.8
14	V	34.4	Very low	36.4	Very low	132 Å²	132	149.4 Å²	149.4	80%	0.8	79%	0.789	S	S	*	*			trans	-145.9	108.8	153.7	-177.4	0	0	0	0	108.4
15	N	33	Very low	37.7	Very low	136 Å²	136	146.9 Å²	146.9	73%	0.727	78%	0.781	S	S	*	*			trans	42.1	86.7	157.1	-62.8	-15.2	0	0	0	117.6	T17	N15-T17 VanDerWaalsContact C-N 3.31Å; N15-T17 PolarHBondContact O-N 3.11Å
16	G	30.3	Very low	40.2	Very low	85 Å²	85	147.9 Å²	147.9	88%	0.876	77%	0.769	S	S	*	*			trans	-69.4	84.4	160.2	0	0	0	0	0	111.4	K18	G16-K18 PolarHBondContact O-N 3.23Å
17	T	34	Very low	42.9	Very low	128 Å²	128	146.7 Å²	146.7	79%	0.785	75%	0.748	S	S	*	*			trans	-73.6	118.1	157.9	38.3	0	0	0	0	108.3	N15 K19	N15-T17 VanDerWaalsContact C-N 3.31Å; N15-T17 PolarHBondContact O-N 3.11Å; T17-K19 PolarHBondContact O-N 2.72Å; T17-K19 VanDerWaalsContact O-N 3.12Å
18	K	32.4	Very low	45.6	Very low	191 Å²	191	139.6 Å²	139.6	83%	0.83	72%	0.718	S	S	*	*			trans	-43.6	113.1	175.4	-74.3	175.2	172.7	178.2	0	111.8	G16 V20	G16-K18 PolarHBondContact O-N 3.23Å; K18-V20 VanDerWaalsContact C-N 3.34Å; K18-V20 HydrophobicContact CB-CG2 4.18Å; K18-V20 PolarHBondContact O-N 2.84Å; K18-V20 VanDerWaalsContact O-N 3.11Å
19	K	35.1	Very low	48.7	Very low	212 Å²	212	137.8 Å²	137.8	92%	0.922	70%	0.703	S	S	*	*			trans	-75	86.2	159.5	-90.7	-178.1	175.4	173.5	0	108.5	T17	T17-K19 PolarHBondContact O-N 2.72Å; T17-K19 VanDerWaalsContact O-N 3.12Å
20	V	39.3	Very low	51.8	Low	117 Å²	117	127.7 Å²	127.7	71%	0.709	67%	0.665	S	S	*	*			trans	-121.1	0.6	171.4	177.3	0	0	0	0	111.8	K18	K18-V20 VanDerWaalsContact C-N 3.34Å; K18-V20 HydrophobicContact CB-CG2 4.18Å; K18-V20 PolarHBondContact O-N 2.84Å; K18-V20 VanDerWaalsContact O-N 3.11Å
21	S	44.3	Very low	55	Low	92 Å²	92	126.5 Å²	126.5	64%	0.643	65%	0.648	S	S	*	*			trans	-108.8	17.3	-162.3	58.7	0	0	0	0	118.3
22	K	43	Very low	58.3	Low	196 Å²	196	118.6 Å²	118.6	85%	0.852	61%	0.609	S	S	*	*	S	Bend	trans	-101.1	-15.8	-178	-116.4	-174.7	-178	-174.3	0	116.1
23	Q	45.1	Very low	61.4	Low	156 Å²	156	107.3 Å²	107.3	73%	0.729	57%	0.568	S	S	*	*	S	Bend	trans	-92.7	-29	-171.7	-148	172.4	-1.5	0	0	112.9	D25 E26	Q23-D25 PolarHBondContact O-N 3.41Å; Q23-E26 PolarHBondContact O-N 3.08Å
24	E	52.9	Low	64.3	Low	169 Å²	169	102.8 Å²	102.8	79%	0.79	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.3	175.1	-71.2	178.5	162.9	0	0	112.7
25	D	66.5	Low	67.3	Low	118 Å²	118	99.1 Å²	99.1	63%	0.631	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-2	-176.6	-110.7	-24.1	0	0	0	115	Q23 K45	Q23-D25 PolarHBondContact O-N 3.41Å; D25-K45 VanDerWaalsContact O-CD 3.26Å; D25-K45 WeakPolarHBondContact O-CD 3.46Å; D25-K45 WeakPolarHBondContact O-CE 3.45Å; D25-K45 PolarHBondContact O-NZ 3.3Å; D25-K45 IonicContact OD1-NZ 3.08Å; D25-K45 PolarHBondContact OD1-NZ 3.47Å
26	E	89.2	Confident	70.2	Confident	82 Å²	82	96.9 Å²	96.9	38%	0.383	50%	0.499	S	S	.	.	S	Bend	trans	-99.5	-14.3	180	-168.1	161.5	-159.5	0	0	113.9	Q23 K45 K46	Q23-E26 PolarHBondContact O-N 3.08Å; E26-K45 WeakPolarHBondContact O-CG 3.43Å; E26-K45 PolarHBondContact O-N 2.85Å; E26-K46 IonicContact OE1-NZ 3.84Å; E26-K46 PolarHBondContact OE1-NZ 2.95Å
27	Y	93.7	Very high	73.3	Confident	111 Å²	111	94.8 Å²	94.8	44%	0.435	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	155.9	-175.9	-67.6	-96.4	0	0	0	112	V43 K45	Y27-V43 CarbonylContact C-O 3.59Å; Y27-V43 VanDerWaalsContact CA-O 3.29Å; Y27-V43 WeakPolarHBondContact CA-O 3.32Å; Y27-K45 WeakPolarHBondContact O-CE 3.41Å
28	I	94.4	Very high	76.2	Confident	19 Å²	19	93.8 Å²	93.8	10%	0.097	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.2	171.2	48.6	158.7	0	0	0	108.8	V30 V43 K45 V88 V89 Y100	I28-V30 HydrophobicContact CD1-CG2 3.94Å; I28-V30 HydrophobicContact CG1-CG2 4.33Å; I28-V43 HydrophobicContact CD1-CG2 4.1Å; I28-V43 HydrophobicContact CG1-CG2 3.81Å; I28-V43 WeakPolarHBondContact CG1-O 3.38Å; I28-V43 PolarHBondContact N-O 2.88Å; I28-V43 PolarHBondContact O-N 3.42Å; I28-K45 HydrophobicContact CG2-CD 4.35Å; I28-K45 HydrophobicContact CG2-CG 3.58Å; I28-V88 HydrophobicContact CD1-CG1 4.3Å; I28-V89 HydrophobicContact CD1-CG1 3.76Å; I28-V89 HydrophobicContact CG2-CG1 4.29Å; I28-Y100 HydrophobicContact CB-CD2 4.2Å; I28-Y100 HydrophobicContact CB-CE2 4.07Å; I28-Y100 HydrophobicContact CD1-CD2 3.77Å; I28-Y100 HydrophobicContact CD1-CE2 3.77Å; I28-Y100 HydrophobicContact CG2-CE2 3.9Å
29	N	95.8	Very high	79.3	Confident	98 Å²	98	85.9 Å²	85.9	52%	0.524	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	133.7	171.4	-65.3	-19.7	0	0	0	109.3	F41 D98 G99 Y100	N29-F41 WeakPolarHBondContact CA-O 3.5Å; N29-D98 VanDerWaalsContact CB-O 3.24Å; N29-D98 WeakPolarHBondContact CB-O 3.2Å; N29-G99 WeakPolarHBondContact O-CA 3.41Å; N29-Y100 PolarHBondContact O-N 3.2Å
30	V	97	Very high	82.2	Confident	3 Å²	3	82 Å²	82	2%	0.018	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	123.9	-179.5	177.8	0	0	0	0	108.6	I28 V32 E40 F41 V43 L52 Y100 F102	I28-V30 HydrophobicContact CD1-CG2 3.94Å; I28-V30 HydrophobicContact CG1-CG2 4.33Å; V30-V32 HydrophobicContact CG1-CG2 3.95Å; V30-E40 WeakPolarHBondContact O-CA 3.36Å; V30-F41 PolarHBondContact N-O 2.96Å; V30-F41 PolarHBondContact O-N 3.24Å; V30-V43 HydrophobicContact CB-CG2 4.4Å; V30-V43 HydrophobicContact CG2-CG2 3.58Å; V30-L52 HydrophobicContact CG1-CD1 3.96Å; V30-L52 HydrophobicContact CG1-CD2 3.99Å; V30-Y100 CarbonylContact C-O 3.51Å; V30-Y100 WeakPolarHBondContact CA-O 3.43Å; V30-F102 HydrophobicContact CG1-CD2 3.55Å; V30-F102 HydrophobicContact CG1-CE2 3.63Å
31	R	97.5	Very high	85	Confident	85 Å²	85	78 Å²	78	32%	0.321	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.6	167.1	-174.8	178.2	-66.7	159.2	3.3	109.2	L39 E40 Y100 H101 F102	R31-L39 CarbonylContact C-O 3.59Å; R31-L39 WeakPolarHBondContact CA-O 3.35Å; R31-E40 HydrophobicContact CG-CG 4.3Å; R31-E40 IonicContact CZ-OE1 2.78Å; R31-E40 VanDerWaalsContact CZ-OE1 3.25Å; R31-E40 IonicContact NE-OE1 3.51Å; R31-E40 PolarHBondContact NE-OE1 3.38Å; R31-E40 IonicContact NH2-OE1 3.35Å; R31-E40 PolarHBondContact NH2-OE1 3.49Å; R31-Y100 PolarHBondContact N-O 3.43Å; R31-H101 WeakPolarHBondContact O-CA 3.48Å; R31-F102 PolarHBondContact O-N 2.94Å
32	V	98.2	Very high	87.4	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	113	173.3	-174.6	0	0	0	0	108.7	V30 L39 F41 V56 L70 F102 F104	V30-V32 HydrophobicContact CG1-CG2 3.95Å; V32-L39 HydrophobicContact CB-CB 4.48Å; V32-L39 PolarHBondContact N-O 3.23Å; V32-L39 PolarHBondContact O-N 2.95Å; V32-F41 HydrophobicContact CG2-CD2 4.39Å; V32-F41 HydrophobicContact CG2-CE2 4.22Å; V32-V56 HydrophobicContact CB-CG2 4.07Å; V32-V56 HydrophobicContact CG1-CG1 4.2Å; V32-V56 HydrophobicContact CG1-CG2 3.91Å; V32-V56 HydrophobicContact CG2-CG2 3.78Å; V32-L70 HydrophobicContact CG1-CD2 3.58Å; V32-F102 CarbonylContact C-O 3.59Å; V32-F102 WeakPolarHBondContact CA-O 3.49Å; V32-F102 HydrophobicContact CG1-CB 4.48Å; V32-F102 HydrophobicContact CG2-CB 4.29Å; V32-F102 HydrophobicContact CG2-CD2 4.46Å; V32-F104 HydrophobicContact CG1-CB 3.84Å
33	S	98	Very high	90	Very high	14 Å²	14	68.5 Å²	68.5	10%	0.098	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	117.7	175	-58.6	0	0	0	0	109.5	D38 H101 F102 Y103 F104	S33-D38 WeakPolarHBondContact CA-OD1 3.38Å; S33-D38 WeakPolarHBondContact CB-OD1 3.38Å; S33-D38 PolarHBondContact OG-OD1 3.21Å; S33-H101 PolarHBondContact OG-NE2 3.09Å; S33-F102 PolarHBondContact N-O 3.29Å; S33-Y103 CarbonylContact O-C 3.47Å; S33-Y103 VanDerWaalsContact O-CA 3.3Å; S33-Y103 WeakPolarHBondContact O-CA 3.36Å; S33-F104 PolarHBondContact O-N 2.75Å
34	T	97.6	Very high	92.4	Very high	15 Å²	15	62.8 Å²	62.8	9%	0.092	32%	0.323	C	S	.	.			trans	-84.7	-172.2	164	64.2	0	0	0	0	109.1	D36 A37 L39 F104	T34-D36 VanDerWaalsContact C-N 3.29Å; T34-D36 PolarHBondContact O-N 3.05Å; T34-D36 PolarHBondContact OG1-OD1 3.3Å; T34-A37 PolarHBondContact N-O 3.49Å; T34-A37 WeakPolarHBondContact OG1-CA 3.37Å; T34-A37 PolarHBondContact OG1-N 3.37Å; T34-A37 PolarHBondContact OG1-O 3.44Å; T34-L39 HydrophobicContact CG2-CD1 4.46Å; T34-F104 HydrophobicContact CG2-CB 3.95Å; T34-F104 HydrophobicContact CG2-CD1 4.12Å; T34-F104 HydrophobicContact CG2-CG 4.29Å
35	M	96.8	Very high	94.4	Very high	55 Å²	55	58.3 Å²	58.3	27%	0.271	30%	0.301	S	S	.	.	S	Bend	trans	-70.7	-23.2	176.3	-66.5	-57.7	-54.1	0	0	113.4	L105 L125 L128 Q129 Q132	M35-L105 HydrophobicContact SD-CD2 3.8Å; M35-L125 HydrophobicContact CB-CD2 4.17Å; M35-L128 HydrophobicContact CB-CB 3.61Å; M35-L128 HydrophobicContact CB-CD1 3.69Å; M35-L128 HydrophobicContact CB-CG 4.33Å; M35-L128 HydrophobicContact CE-CB 4.22Å; M35-L128 HydrophobicContact CG-CB 4.04Å; M35-Q129 HydrophobicContact CE-CB 4.34Å; M35-Q129 HydrophobicContact CG-CB 4.05Å; M35-Q129 HydrophobicContact SD-CB 3.92Å; M35-Q129 HydrophobicContact SD-CG 4.21Å; M35-Q132 HydrophobicContact CE-CB 4.02Å
36	D	93.5	Very high	95.8	Very high	88 Å²	88	58.4 Å²	58.4	47%	0.471	30%	0.296	S	S	.	.	S	Bend	trans	-131	-6.8	-172.9	62.8	-24.4	0	0	0	114.9	T34 H124 L128	T34-D36 VanDerWaalsContact C-N 3.29Å; T34-D36 PolarHBondContact O-N 3.05Å; T34-D36 PolarHBondContact OG1-OD1 3.3Å; D36-H124 IonicContact OD2-CD2 3.94Å; D36-H124 PolarHBondContact OD2-CD2 2.95Å; D36-H124 IonicContact OD2-NE2 3.93Å; D36-H124 PolarHBondContact OD2-NE2 3.31Å; D36-L128 HydrophobicContact CB-CD1 3.71Å
37	A	95.2	Very high	96.2	Very high	42 Å²	42	55.4 Å²	55.4	35%	0.347	28%	0.282	S	S	.	.			trans	-146.3	145.6	-178.8	0	0	0	0	0	113.6	T34	T34-A37 PolarHBondContact N-O 3.49Å; T34-A37 WeakPolarHBondContact OG1-CA 3.37Å; T34-A37 PolarHBondContact OG1-N 3.37Å; T34-A37 PolarHBondContact OG1-O 3.44Å
38	D	96	Very high	96.4	Very high	106 Å²	106	56.4 Å²	56.4	57%	0.567	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	125.8	166.8	-77	-35.2	0	0	0	110.3	S33	S33-D38 WeakPolarHBondContact CA-OD1 3.38Å; S33-D38 WeakPolarHBondContact CB-OD1 3.38Å; S33-D38 PolarHBondContact OG-OD1 3.21Å
39	L	96.9	Very high	96.6	Very high	26 Å²	26	55.5 Å²	55.5	14%	0.136	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.3	178.5	-52.9	175.6	0	0	0	109.8	R31 V32 T34 F41 V56 T59 I60	R31-L39 CarbonylContact C-O 3.59Å; R31-L39 WeakPolarHBondContact CA-O 3.35Å; V32-L39 HydrophobicContact CB-CB 4.48Å; V32-L39 PolarHBondContact N-O 3.23Å; V32-L39 PolarHBondContact O-N 2.95Å; T34-L39 HydrophobicContact CG2-CD1 4.46Å; L39-F41 HydrophobicContact CB-CD2 4.47Å; L39-F41 HydrophobicContact CB-CE2 3.53Å; L39-F41 HydrophobicContact CB-CZ 3.65Å; L39-F41 HydrophobicContact CD1-CE2 4.32Å; L39-F41 HydrophobicContact CD1-CZ 4.04Å; L39-F41 HydrophobicContact CG-CZ 4.42Å; L39-V56 HydrophobicContact CD1-CG1 4.02Å; L39-T59 HydrophobicContact CD1-CG2 4.26Å; L39-T59 HydrophobicContact CD2-CG2 4.08Å; L39-I60 HydrophobicContact CD1-CG2 3.77Å
40	E	96.6	Very high	96.7	Very high	131 Å²	131	52.4 Å²	52.4	61%	0.612	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.4	178.5	-62	-168.4	156.7	0	0	111	V30 R31	V30-E40 WeakPolarHBondContact O-CA 3.36Å; R31-E40 HydrophobicContact CG-CG 4.3Å; R31-E40 IonicContact CZ-OE1 2.78Å; R31-E40 VanDerWaalsContact CZ-OE1 3.25Å; R31-E40 IonicContact NE-OE1 3.51Å; R31-E40 PolarHBondContact NE-OE1 3.38Å; R31-E40 IonicContact NH2-OE1 3.35Å; R31-E40 PolarHBondContact NH2-OE1 3.49Å
41	F	96.2	Very high	96.7	Very high	33 Å²	33	56.5 Å²	56.5	15%	0.145	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.6	-178.4	-51.5	-77.8	0	0	0	111	N29 V30 V32 L39 V43 L55 V56 T59	N29-F41 WeakPolarHBondContact CA-O 3.5Å; V30-F41 PolarHBondContact N-O 2.96Å; V30-F41 PolarHBondContact O-N 3.24Å; V32-F41 HydrophobicContact CG2-CD2 4.39Å; V32-F41 HydrophobicContact CG2-CE2 4.22Å; L39-F41 HydrophobicContact CB-CD2 4.47Å; L39-F41 HydrophobicContact CB-CE2 3.53Å; L39-F41 HydrophobicContact CB-CZ 3.65Å; L39-F41 HydrophobicContact CD1-CE2 4.32Å; L39-F41 HydrophobicContact CD1-CZ 4.04Å; L39-F41 HydrophobicContact CG-CZ 4.42Å; F41-V43 HydrophobicContact CB-CG1 3.73Å; F41-L55 HydrophobicContact CB-CD2 4.28Å; F41-L55 HydrophobicContact CD1-CD2 3.7Å; F41-L55 HydrophobicContact CD1-CG 4.1Å; F41-L55 HydrophobicContact CD2-CD2 4.46Å; F41-L55 HydrophobicContact CE1-CD1 4.43Å; F41-L55 HydrophobicContact CE1-CD2 4.09Å; F41-L55 HydrophobicContact CE1-CG 3.95Å; F41-L55 HydrophobicContact CG-CD2 3.9Å; F41-L55 HydrophobicContact CZ-CG 4.32Å; F41-V56 HydrophobicContact CE2-CG2 3.97Å; F41-V56 HydrophobicContact CZ-CG2 4.45Å; F41-T59 HydrophobicContact CE1-CG2 4.49Å; F41-T59 HydrophobicContact CZ-CG2 4.38Å
42	S	96.1	Very high	96.8	Very high	77 Å²	77	52.4 Å²	52.4	54%	0.538	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	110.2	161.5	-164.2	0	0	0	0	108.5
43	V	96.3	Very high	96.8	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.067	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	154.1	-172.4	-60.9	0	0	0	0	111.5	Y27 I28 V30 F41 I47 L55	Y27-V43 CarbonylContact C-O 3.59Å; Y27-V43 VanDerWaalsContact CA-O 3.29Å; Y27-V43 WeakPolarHBondContact CA-O 3.32Å; I28-V43 HydrophobicContact CD1-CG2 4.1Å; I28-V43 HydrophobicContact CG1-CG2 3.81Å; I28-V43 WeakPolarHBondContact CG1-O 3.38Å; I28-V43 PolarHBondContact N-O 2.88Å; I28-V43 PolarHBondContact O-N 3.42Å; V30-V43 HydrophobicContact CB-CG2 4.4Å; V30-V43 HydrophobicContact CG2-CG2 3.58Å; F41-V43 HydrophobicContact CB-CG1 3.73Å; V43-I47 HydrophobicContact CB-CD1 3.84Å; V43-I47 HydrophobicContact CB-CG2 4.38Å; V43-I47 HydrophobicContact CG1-CD1 3.97Å; V43-I47 HydrophobicContact CG2-CD1 4.2Å; V43-I47 HydrophobicContact CG2-CG2 3.85Å; V43-L55 HydrophobicContact CG1-CD2 3.92Å
44	S	96.1	Very high	96.8	Very high	35 Å²	35	55.9 Å²	55.9	25%	0.245	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	140.5	177.4	179.9	0	0	0	0	111.4	K46 I47	S44-K46 PolarHBondContact O-N 3.49Å; S44-K46 PolarHBondContact OG-N 3.4Å; S44-I47 WeakPolarHBondContact O-CB 3.49Å; S44-I47 WeakPolarHBondContact O-CG2 3.34Å; S44-I47 PolarHBondContact O-N 3.35Å
45	K	94.9	Very high	96.8	Very high	75 Å²	75	57.4 Å²	57.4	33%	0.326	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-16.5	169.5	-75.9	178.3	-175.8	177.1	0	113.5	D25 E26 Y27 I28 V89	D25-K45 VanDerWaalsContact O-CD 3.26Å; D25-K45 WeakPolarHBondContact O-CD 3.46Å; D25-K45 WeakPolarHBondContact O-CE 3.45Å; D25-K45 PolarHBondContact O-NZ 3.3Å; D25-K45 IonicContact OD1-NZ 3.08Å; D25-K45 PolarHBondContact OD1-NZ 3.47Å; E26-K45 WeakPolarHBondContact O-CG 3.43Å; E26-K45 PolarHBondContact O-N 2.85Å; Y27-K45 WeakPolarHBondContact O-CE 3.41Å; I28-K45 HydrophobicContact CG2-CD 4.35Å; I28-K45 HydrophobicContact CG2-CG 3.58Å; K45-V89 HydrophobicContact CB-CG1 4.47Å; K45-V89 HydrophobicContact CG-CG1 4.47Å; K45-V89 VanDerWaalsContact O-CG2 3.24Å; K45-V89 WeakPolarHBondContact O-CG2 3.42Å
46	K	95.9	Very high	96.9	Very high	121 Å²	121	54.8 Å²	54.8	53%	0.526	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-8.9	179.2	-63.7	169.1	-176.4	149.1	0	113.8	E26 S44	E26-K46 IonicContact OE1-NZ 3.84Å; E26-K46 PolarHBondContact OE1-NZ 2.95Å; S44-K46 PolarHBondContact O-N 3.49Å; S44-K46 PolarHBondContact OG-N 3.4Å
47	I	97.5	Very high	97.1	Very high	18 Å²	18	50.8 Å²	50.8	9%	0.092	26%	0.261	C	S	.	.			trans	-59.5	133.7	-174.3	-162.5	168.9	0	0	0	112.2	V43 S44 E51 L52 K87 V88	V43-I47 HydrophobicContact CB-CD1 3.84Å; V43-I47 HydrophobicContact CB-CG2 4.38Å; V43-I47 HydrophobicContact CG1-CD1 3.97Å; V43-I47 HydrophobicContact CG2-CD1 4.2Å; V43-I47 HydrophobicContact CG2-CG2 3.85Å; S44-I47 WeakPolarHBondContact O-CB 3.49Å; S44-I47 WeakPolarHBondContact O-CG2 3.34Å; S44-I47 PolarHBondContact O-N 3.35Å; I47-E51 HydrophobicContact CD1-CB 4.21Å; I47-E51 HydrophobicContact CG1-CB 3.62Å; I47-L52 HydrophobicContact CD1-CB 3.98Å; I47-L52 HydrophobicContact CG1-CB 4.39Å; I47-K87 CarbonylContact O-C 3.59Å; I47-K87 VanDerWaalsContact O-CA 3.26Å; I47-K87 WeakPolarHBondContact O-CA 3.5Å; I47-V88 HydrophobicContact CG2-CB 4.16Å; I47-V88 HydrophobicContact CG2-CG2 3.86Å; I47-V88 PolarHBondContact O-N 3.02Å
48	R	98	Very high	97.2	Very high	132 Å²	132	57.5 Å²	57.5	50%	0.498	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-83.3	159.2	171.5	-68.3	-173.2	-108.5	-160	-1.3	111.6	S50 E51 L52 R86	R48-S50 PolarHBondContact O-N 3.35Å; R48-E51 HydrophobicContact CB-CG 4.33Å; R48-E51 WeakPolarHBondContact CB-OE2 3.45Å; R48-E51 PolarHBondContact N-OE2 2.85Å; R48-E51 PolarHBondContact O-N 3.38Å; R48-L52 PolarHBondContact O-N 3.32Å; R48-L52 VanDerWaalsContact O-N 3.09Å; R48-R86 WeakPolarHBondContact CA-O 3.38Å
49	G	97.9	Very high	97.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56.1	-38.9	175.8	0	0	0	0	0	112.9	F53 R86	G49-F53 VanDerWaalsContact O-CB 3.29Å; G49-F53 WeakPolarHBondContact O-CB 3.49Å; G49-F53 PolarHBondContact O-N 2.97Å; G49-R86 PolarHBondContact N-O 2.72Å
50	S	97.9	Very high	97.2	Very high	34 Å²	34	56.4 Å²	56.4	24%	0.238	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-49.6	174.1	36.5	0	0	0	0	112.5	R48 L52 F53 D54 F84	R48-S50 PolarHBondContact O-N 3.35Å; S50-L52 VanDerWaalsContact C-N 3.34Å; S50-L52 PolarHBondContact O-N 3.41Å; S50-F53 PolarHBondContact O-N 3.31Å; S50-D54 WeakPolarHBondContact O-CB 3.49Å; S50-D54 VanDerWaalsContact O-CG 3.28Å; S50-D54 PolarHBondContact O-N 3.35Å; S50-F84 WeakPolarHBondContact CB-O 3.5Å; S50-F84 PolarHBondContact N-O 3.43Å; S50-F84 VanDerWaalsContact N-O 3.1Å; S50-F84 PolarHBondContact OG-O 3.45Å
51	E	98.3	Very high	97.2	Very high	88 Å²	88	52.2 Å²	52.2	41%	0.411	27%	0.266	S	S	.	.	H	α-helix	trans	-64.4	-37.8	-178.4	-64.9	171.3	128	0	0	112.3	I47 R48 L55	I47-E51 HydrophobicContact CD1-CB 4.21Å; I47-E51 HydrophobicContact CG1-CB 3.62Å; R48-E51 HydrophobicContact CB-CG 4.33Å; R48-E51 WeakPolarHBondContact CB-OE2 3.45Å; R48-E51 PolarHBondContact N-OE2 2.85Å; R48-E51 PolarHBondContact O-N 3.38Å; E51-L55 WeakPolarHBondContact O-CB 3.42Å; E51-L55 PolarHBondContact O-N 3.41Å; E51-L55 VanDerWaalsContact O-N 3.08Å
52	L	98.3	Very high	97.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-45.1	173.3	176.9	61.5	0	0	0	111.1	V30 I47 R48 S50 D54 L55 V56 L70 V88 F102	V30-L52 HydrophobicContact CG1-CD1 3.96Å; V30-L52 HydrophobicContact CG1-CD2 3.99Å; I47-L52 HydrophobicContact CD1-CB 3.98Å; I47-L52 HydrophobicContact CG1-CB 4.39Å; R48-L52 PolarHBondContact O-N 3.32Å; R48-L52 VanDerWaalsContact O-N 3.09Å; S50-L52 VanDerWaalsContact C-N 3.34Å; S50-L52 PolarHBondContact O-N 3.41Å; L52-D54 PolarHBondContact O-N 3.36Å; L52-L55 WeakPolarHBondContact O-CB 3.41Å; L52-L55 PolarHBondContact O-N 3.16Å; L52-V56 WeakPolarHBondContact O-CG2 3.49Å; L52-V56 PolarHBondContact O-N 3.48Å; L52-V56 VanDerWaalsContact O-N 3.08Å; L52-L70 HydrophobicContact CB-CD1 4.41Å; L52-L70 HydrophobicContact CD2-CD1 3.82Å; L52-L70 HydrophobicContact CG-CD1 3.8Å; L52-V88 HydrophobicContact CB-CG2 4.36Å; L52-V88 HydrophobicContact CD2-CG2 3.86Å; L52-F102 HydrophobicContact CD2-CD2 3.98Å; L52-F102 HydrophobicContact CD2-CE2 3.85Å; L52-F102 HydrophobicContact CD2-CZ 4.36Å
53	F	98.6	Very high	97.3	Very high	7 Å²	7	51.5 Å²	51.5	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-43	178.2	179.4	-88.8	0	0	0	112.1	G49 S50 L55 V56 C57 T65 F68 L70 F84 F104	G49-F53 VanDerWaalsContact O-CB 3.29Å; G49-F53 WeakPolarHBondContact O-CB 3.49Å; G49-F53 PolarHBondContact O-N 2.97Å; S50-F53 PolarHBondContact O-N 3.31Å; F53-L55 VanDerWaalsContact C-N 3.33Å; F53-L55 PolarHBondContact O-N 2.96Å; F53-V56 PolarHBondContact O-N 2.93Å; F53-C57 WeakPolarHBondContact CE1-SG 3.39Å; F53-C57 PolarHBondContact O-N 3.49Å; F53-C57 PolarHBondContact O-SG 3.43Å; F53-T65 HydrophobicContact CE1-CG2 4Å; F53-T65 WeakPolarHBondContact CZ-O 3.46Å; F53-F68 HydrophobicContact CE2-CB 3.93Å; F53-F68 HydrophobicContact CZ-CB 3.96Å; F53-L70 HydrophobicContact CB-CD1 4.17Å; F53-L70 HydrophobicContact CD2-CG 4.11Å; F53-F84 HydrophobicContact CB-CD1 4.43Å; F53-F84 HydrophobicContact CB-CE1 3.76Å; F53-F84 HydrophobicContact CB-CZ 4.16Å; F53-F84 HydrophobicContact CD1-CE1 4.45Å; F53-F84 AromaticContact CD1-CZ 4Å; F53-F84 HydrophobicContact CD1-CZ 4Å; F53-F84 AromaticContact CD2-CE1 3.85Å; F53-F84 HydrophobicContact CD2-CE1 3.85Å; F53-F84 AromaticContact CD2-CZ 3.67Å; F53-F84 HydrophobicContact CD2-CZ 3.67Å; F53-F84 HydrophobicContact CE1-CZ 4.32Å; F53-F84 HydrophobicContact CE2-CZ 4.03Å; F53-F84 AromaticContact CG-CE1 3.76Å; F53-F84 HydrophobicContact CG-CE1 3.76Å; F53-F84 AromaticContact CG-CZ 3.66Å; F53-F84 HydrophobicContact CG-CZ 3.66Å; F53-F84 HydrophobicContact CZ-CZ 4.33Å; F53-F104 HydrophobicContact CD2-CD2 4.4Å; F53-F104 HydrophobicContact CD2-CE2 4.04Å; F53-F104 HydrophobicContact CE2-CD2 4.13Å; F53-F104 AromaticContact CE2-CE2 3.48Å; F53-F104 HydrophobicContact CE2-CE2 3.48Å; F53-F104 VanDerWaalsContact CE2-CE2 3.48Å; F53-F104 HydrophobicContact CE2-CZ 4.35Å; F53-F104 HydrophobicContact CZ-CE2 4.01Å
54	D	98.3	Very high	97.4	Very high	79 Å²	79	51 Å²	51	42%	0.422	25%	0.248	S	C	.	.	H	α-helix	trans	-66.2	-33.1	176.2	-70.4	-17.7	0	0	0	112.5	S50 L52 R58	S50-D54 WeakPolarHBondContact O-CB 3.49Å; S50-D54 VanDerWaalsContact O-CG 3.28Å; S50-D54 PolarHBondContact O-N 3.35Å; L52-D54 PolarHBondContact O-N 3.36Å; D54-R58 WeakPolarHBondContact O-CB 3.37Å; D54-R58 VanDerWaalsContact O-CG 3.29Å; D54-R58 WeakPolarHBondContact O-CG 3.48Å; D54-R58 PolarHBondContact O-N 2.96Å; D54-R58 VanDerWaalsContact O-N 3.08Å; D54-R58 PolarHBondContact O-NE 3.08Å
55	L	98	Very high	97.4	Very high	48 Å²	48	51.6 Å²	51.6	25%	0.251	25%	0.25	S	C	.	.	H	α-helix	trans	-64.6	-44.4	173.1	178.8	61.7	0	0	0	111.1	F41 V43 E51 L52 F53 T59	F41-L55 HydrophobicContact CB-CD2 4.28Å; F41-L55 HydrophobicContact CD1-CD2 3.7Å; F41-L55 HydrophobicContact CD1-CG 4.1Å; F41-L55 HydrophobicContact CD2-CD2 4.46Å; F41-L55 HydrophobicContact CE1-CD1 4.43Å; F41-L55 HydrophobicContact CE1-CD2 4.09Å; F41-L55 HydrophobicContact CE1-CG 3.95Å; F41-L55 HydrophobicContact CG-CD2 3.9Å; F41-L55 HydrophobicContact CZ-CG 4.32Å; V43-L55 HydrophobicContact CG1-CD2 3.92Å; E51-L55 WeakPolarHBondContact O-CB 3.42Å; E51-L55 PolarHBondContact O-N 3.41Å; E51-L55 VanDerWaalsContact O-N 3.08Å; L52-L55 WeakPolarHBondContact O-CB 3.41Å; L52-L55 PolarHBondContact O-N 3.16Å; F53-L55 VanDerWaalsContact C-N 3.33Å; F53-L55 PolarHBondContact O-N 2.96Å; L55-T59 WeakPolarHBondContact O-CB 3.41Å; L55-T59 PolarHBondContact O-N 3Å; L55-T59 PolarHBondContact O-OG1 3.21Å
56	V	98.3	Very high	97.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-52.9	176.7	173.8	0	0	0	0	110.3	V32 L39 F41 L52 F53 R58 T59 I60 F104	V32-V56 HydrophobicContact CB-CG2 4.07Å; V32-V56 HydrophobicContact CG1-CG1 4.2Å; V32-V56 HydrophobicContact CG1-CG2 3.91Å; V32-V56 HydrophobicContact CG2-CG2 3.78Å; L39-V56 HydrophobicContact CD1-CG1 4.02Å; F41-V56 HydrophobicContact CE2-CG2 3.97Å; F41-V56 HydrophobicContact CZ-CG2 4.45Å; L52-V56 WeakPolarHBondContact O-CG2 3.49Å; L52-V56 PolarHBondContact O-N 3.48Å; L52-V56 VanDerWaalsContact O-N 3.08Å; F53-V56 PolarHBondContact O-N 2.93Å; V56-R58 VanDerWaalsContact C-N 3.32Å; V56-R58 PolarHBondContact O-N 3.27Å; V56-T59 WeakPolarHBondContact O-CB 3.45Å; V56-T59 PolarHBondContact O-N 3.31Å; V56-I60 WeakPolarHBondContact O-CG1 3.41Å; V56-I60 PolarHBondContact O-N 3.44Å; V56-I60 VanDerWaalsContact O-N 3.09Å; V56-F104 HydrophobicContact CB-CD2 4.43Å; V56-F104 HydrophobicContact CG1-CB 4.39Å; V56-F104 HydrophobicContact CG1-CD2 3.56Å; V56-F104 HydrophobicContact CG1-CE2 3.96Å; V56-F104 HydrophobicContact CG1-CG 4.01Å
57	C	98.2	Very high	97.6	Very high	4 Å²	4	44.6 Å²	44.6	3%	0.027	22%	0.218	C	C	.	.	H	α-helix	trans	-58.3	-41.6	-178.3	-65.7	0	0	0	0	112.5	F53 G61 L62 T65	F53-C57 WeakPolarHBondContact CE1-SG 3.39Å; F53-C57 PolarHBondContact O-N 3.49Å; F53-C57 PolarHBondContact O-SG 3.43Å; C57-G61 PolarHBondContact O-N 2.98Å; C57-L62 PolarHBondContact O-N 3.47Å; C57-T65 HydrophobicContact CB-CG2 4.12Å
58	R	97.3	Very high	97.7	Very high	183 Å²	183	44.1 Å²	44.1	69%	0.691	22%	0.215	S	C	*	.	H	α-helix	trans	-65.3	-38.6	175.2	-75.9	-176.9	-66.6	179.2	-0	112.8	D54 V56 G61	D54-R58 WeakPolarHBondContact O-CB 3.37Å; D54-R58 VanDerWaalsContact O-CG 3.29Å; D54-R58 WeakPolarHBondContact O-CG 3.48Å; D54-R58 PolarHBondContact O-N 2.96Å; D54-R58 VanDerWaalsContact O-N 3.08Å; D54-R58 PolarHBondContact O-NE 3.08Å; V56-R58 VanDerWaalsContact C-N 3.32Å; V56-R58 PolarHBondContact O-N 3.27Å; R58-G61 PolarHBondContact O-N 2.98Å
59	T	97.4	Very high	97.7	Very high	72 Å²	72	38 Å²	38	44%	0.442	19%	0.193	S	C	.	.	H	α-helix	trans	-63.3	-42.1	179.2	-57.8	0	0	0	0	111.5	L39 F41 L55 V56	L39-T59 HydrophobicContact CD1-CG2 4.26Å; L39-T59 HydrophobicContact CD2-CG2 4.08Å; F41-T59 HydrophobicContact CE1-CG2 4.49Å; F41-T59 HydrophobicContact CZ-CG2 4.38Å; L55-T59 WeakPolarHBondContact O-CB 3.41Å; L55-T59 PolarHBondContact O-N 3Å; L55-T59 PolarHBondContact O-OG1 3.21Å; V56-T59 WeakPolarHBondContact O-CB 3.45Å; V56-T59 PolarHBondContact O-N 3.31Å
60	I	96.2	Very high	97.7	Very high	37 Å²	37	38 Å²	38	19%	0.19	19%	0.193	C	C	.	.	H	α-helix	trans	-89.1	-3.4	-180	67.7	177.8	0	0	0	113.8	L39 V56 L62 F104 L125	L39-I60 HydrophobicContact CD1-CG2 3.77Å; V56-I60 WeakPolarHBondContact O-CG1 3.41Å; V56-I60 PolarHBondContact O-N 3.44Å; V56-I60 VanDerWaalsContact O-N 3.09Å; I60-L62 HydrophobicContact CD1-CB 3.8Å; I60-L62 HydrophobicContact CD1-CD1 4.15Å; I60-L62 HydrophobicContact CG1-CB 3.72Å; I60-L62 PolarHBondContact O-N 3.39Å; I60-F104 HydrophobicContact CD1-CD1 4.32Å; I60-F104 HydrophobicContact CD1-CE1 3.77Å; I60-F104 HydrophobicContact CD1-CZ 4Å; I60-L125 HydrophobicContact CD1-CD1 4.09Å
61	G	96	Very high	97.7	Very high	43 Å²	43	38.2 Å²	38.2	44%	0.443	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	21.9	-179.7	0	0	0	0	0	115.1	C57 R58 Q119	C57-G61 PolarHBondContact O-N 2.98Å; R58-G61 PolarHBondContact O-N 2.98Å; G61-Q119 PolarHBondContact O-NE2 3.5Å
62	L	97.2	Very high	97.5	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.037	17%	0.171	C	C	.	.			trans	-90.2	129.7	-179.4	-171.9	146.9	0	0	0	111.3	C57 I60 T65 F68 F104 I121 L125	C57-L62 PolarHBondContact O-N 3.47Å; I60-L62 HydrophobicContact CD1-CB 3.8Å; I60-L62 HydrophobicContact CD1-CD1 4.15Å; I60-L62 HydrophobicContact CG1-CB 3.72Å; I60-L62 PolarHBondContact O-N 3.39Å; L62-T65 HydrophobicContact CD2-CG2 4.26Å; L62-F68 HydrophobicContact CD1-CD2 3.93Å; L62-F68 HydrophobicContact CD1-CE1 4.31Å; L62-F68 HydrophobicContact CD1-CE2 3.43Å; L62-F68 VanDerWaalsContact CD1-CE2 3.43Å; L62-F68 HydrophobicContact CD1-CZ 3.65Å; L62-F68 HydrophobicContact CD2-CD2 3.86Å; L62-F68 HydrophobicContact CD2-CE2 3.98Å; L62-F68 HydrophobicContact CG-CE2 4.25Å; L62-F104 HydrophobicContact CD1-CE1 4.28Å; L62-F104 HydrophobicContact CD1-CZ 4.36Å; L62-I121 HydrophobicContact CB-CG2 4.32Å; L62-L125 HydrophobicContact CD1-CD1 3.94Å
63	R	96.9	Very high	97.3	Very high	88 Å²	88	35.7 Å²	35.7	33%	0.332	18%	0.181	S	C	.	.			trans	-114.4	-21.9	179.2	-59	-179.9	62.9	-169.5	-1.2	113.1	T65 Q119 E326 M330	R63-T65 PolarHBondContact O-N 2.9Å; R63-Q119 VanDerWaalsContact CB-OE1 3.28Å; R63-E326 IonicContact CZ-OE1 3.9Å; R63-E326 IonicContact NE-OE1 3.46Å; R63-E326 IonicContact NH2-OE1 3.32Å; R63-E326 PolarHBondContact NH2-OE1 3.23Å; R63-M330 HydrophobicContact CB-SD 3.48Å; R63-M330 WeakPolarHBondContact CB-SD 3.37Å; R63-M330 HydrophobicContact CG-SD 4.32Å; R63-M330 VanDerWaalsContact NH1-CG 3.31Å
64	E	97.5	Very high	97	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.			trans	-77.4	53.9	175.2	-63.3	168.8	88.3	0	0	111.5	W66 F67 F68 I118 Q119 T122	E64-W66 HydrophobicContact CB-CH2 4.37Å; E64-W66 HydrophobicContact CB-CZ2 3.96Å; E64-W66 HydrophobicContact CG-CH2 4.13Å; E64-W66 HydrophobicContact CG-CZ2 3.81Å; E64-W66 PolarHBondContact O-N 2.87Å; E64-W66 VanDerWaalsContact O-N 3.11Å; E64-F67 HydrophobicContact CB-CD2 4.23Å; E64-F67 HydrophobicContact CB-CE2 4.46Å; E64-F68 WeakPolarHBondContact O-CD2 3.39Å; E64-I118 HydrophobicContact CG-CB 4.42Å; E64-I118 HydrophobicContact CG-CD1 4.38Å; E64-I118 WeakPolarHBondContact OE1-CB 3.38Å; E64-I118 PolarHBondContact OE1-N 3.48Å; E64-I118 PolarHBondContact OE2-N 2.94Å; E64-Q119 WeakPolarHBondContact OE2-CB 3.36Å; E64-Q119 WeakPolarHBondContact OE2-CG 3.47Å; E64-Q119 PolarHBondContact OE2-N 3.04Å; E64-T122 HydrophobicContact CB-CG2 4.06Å; E64-T122 WeakPolarHBondContact OE2-CB 3.47Å; E64-T122 PolarHBondContact OE2-OG1 3.02Å
65	T	97.3	Very high	96.8	Very high	47 Å²	47	38.5 Å²	38.5	29%	0.288	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-61	-24.2	-170.4	51.4	0	0	0	0	114.1	F53 C57 L62 R63 F67 F68	F53-T65 HydrophobicContact CE1-CG2 4Å; F53-T65 WeakPolarHBondContact CZ-O 3.46Å; C57-T65 HydrophobicContact CB-CG2 4.12Å; L62-T65 HydrophobicContact CD2-CG2 4.26Å; R63-T65 PolarHBondContact O-N 2.9Å; T65-F67 PolarHBondContact O-N 3.45Å; T65-F67 VanDerWaalsContact O-N 3.16Å; T65-F68 PolarHBondContact O-N 3.42Å; T65-F68 VanDerWaalsContact O-N 3.15Å
66	W	96.8	Very high	96.4	Very high	50 Å²	50	44.1 Å²	44.1	19%	0.189	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-70.6	-8.9	-171.8	52.9	74.7	0	0	0	114.8	E64 F108 L315 R318 V327 M330	E64-W66 HydrophobicContact CB-CH2 4.37Å; E64-W66 HydrophobicContact CB-CZ2 3.96Å; E64-W66 HydrophobicContact CG-CH2 4.13Å; E64-W66 HydrophobicContact CG-CZ2 3.81Å; E64-W66 PolarHBondContact O-N 2.87Å; E64-W66 VanDerWaalsContact O-N 3.11Å; W66-F108 WeakPolarHBondContact O-CD2 3.5Å; W66-L315 HydrophobicContact CB-CD2 4.02Å; W66-L315 HydrophobicContact CG-CD2 4.13Å; W66-R318 VanDerWaalsContact CZ3-NH2 3.31Å; W66-V327 HydrophobicContact CH2-CG2 3.85Å; W66-V327 HydrophobicContact CZ2-CG2 4.44Å; W66-M330 HydrophobicContact CH2-CE 3.64Å; W66-M330 HydrophobicContact CZ3-CE 4.27Å
67	F	98.2	Very high	95.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-89.9	-20.9	172.8	-64.5	-57.2	0	0	0	113.7	E64 T65 K107 F108 P110 E116 L117 T122 F126	E64-F67 HydrophobicContact CB-CD2 4.23Å; E64-F67 HydrophobicContact CB-CE2 4.46Å; T65-F67 PolarHBondContact O-N 3.45Å; T65-F67 VanDerWaalsContact O-N 3.16Å; F67-K107 PolarHBondContact O-N 2.88Å; F67-F108 VanDerWaalsContact CD1-O 3.3Å; F67-F108 WeakPolarHBondContact CD1-O 3.4Å; F67-F108 PolarHBondContact O-N 3.1Å; F67-P110 HydrophobicContact CE1-CB 4.29Å; F67-P110 HydrophobicContact CZ-CB 4.3Å; F67-E116 HydrophobicContact CZ-CB 4.27Å; F67-L117 HydrophobicContact CD2-CD2 4.34Å; F67-L117 HydrophobicContact CE2-CD2 3.88Å; F67-L117 HydrophobicContact CZ-CD2 4.32Å; F67-T122 HydrophobicContact CD2-CG2 4.24Å; F67-F126 HydrophobicContact CB-CE2 3.68Å; F67-F126 HydrophobicContact CB-CZ 3.73Å; F67-F126 HydrophobicContact CD1-CE2 4.47Å; F67-F126 AromaticContact CD1-CZ 3.97Å; F67-F126 HydrophobicContact CD1-CZ 3.97Å; F67-F126 AromaticContact CD2-CE2 3.9Å; F67-F126 HydrophobicContact CD2-CE2 3.9Å; F67-F126 HydrophobicContact CD2-CZ 4.2Å; F67-F126 AromaticContact CG-CE2 3.78Å; F67-F126 HydrophobicContact CG-CE2 3.78Å; F67-F126 AromaticContact CG-CZ 3.72Å; F67-F126 HydrophobicContact CG-CZ 3.72Å
68	F	98.5	Very high	95.3	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	161.3	-164.8	-59.6	-91.7	0	0	0	113.1	F53 L62 E64 T65 F104 L105 V106 T122 L125 F126	F53-F68 HydrophobicContact CE2-CB 3.93Å; F53-F68 HydrophobicContact CZ-CB 3.96Å; L62-F68 HydrophobicContact CD1-CD2 3.93Å; L62-F68 HydrophobicContact CD1-CE1 4.31Å; L62-F68 HydrophobicContact CD1-CE2 3.43Å; L62-F68 VanDerWaalsContact CD1-CE2 3.43Å; L62-F68 HydrophobicContact CD1-CZ 3.65Å; L62-F68 HydrophobicContact CD2-CD2 3.86Å; L62-F68 HydrophobicContact CD2-CE2 3.98Å; L62-F68 HydrophobicContact CG-CE2 4.25Å; E64-F68 WeakPolarHBondContact O-CD2 3.39Å; T65-F68 PolarHBondContact O-N 3.42Å; T65-F68 VanDerWaalsContact O-N 3.15Å; F68-F104 HydrophobicContact CB-CE1 3.87Å; F68-F104 HydrophobicContact CB-CE2 3.81Å; F68-F104 HydrophobicContact CB-CZ 3.4Å; F68-F104 VanDerWaalsContact CB-CZ 3.4Å; F68-F104 AromaticContact CD1-CD1 3.94Å; F68-F104 HydrophobicContact CD1-CD1 3.94Å; F68-F104 AromaticContact CD1-CE1 3.26Å; F68-F104 HydrophobicContact CD1-CE1 3.26Å; F68-F104 AromaticContact CD1-CZ 3.73Å; F68-F104 HydrophobicContact CD1-CZ 3.73Å; F68-F104 HydrophobicContact CD2-CE1 4.35Å; F68-F104 HydrophobicContact CD2-CZ 4.13Å; F68-F104 AromaticContact CE1-CE1 3.85Å; F68-F104 HydrophobicContact CE1-CE1 3.85Å; F68-F104 AromaticContact CG-CE1 3.56Å; F68-F104 HydrophobicContact CG-CE1 3.56Å; F68-F104 HydrophobicContact CG-CE2 4.37Å; F68-F104 AromaticContact CG-CZ 3.48Å; F68-F104 HydrophobicContact CG-CZ 3.48Å; F68-F104 VanDerWaalsContact CG-CZ 3.48Å; F68-L105 CarbonylContact C-O 3.59Å; F68-L105 VanDerWaalsContact CA-O 3.32Å; F68-L105 WeakPolarHBondContact CA-O 3.5Å; F68-V106 HydrophobicContact CD1-CG2 4.1Å; F68-V106 HydrophobicContact CE1-CG2 3.6Å; F68-V106 HydrophobicContact CZ-CG2 4.23Å; F68-T122 HydrophobicContact CE2-CG2 3.9Å; F68-T122 HydrophobicContact CZ-CG2 4Å; F68-L125 HydrophobicContact CE1-CB 3.96Å; F68-L125 HydrophobicContact CE1-CD1 4.07Å; F68-L125 HydrophobicContact CZ-CB 4.29Å; F68-L125 HydrophobicContact CZ-CD1 4.39Å; F68-F126 HydrophobicContact CE2-CE2 4.31Å; F68-F126 HydrophobicContact CZ-CD2 4.03Å; F68-F126 AromaticContact CZ-CE2 3.96Å; F68-F126 HydrophobicContact CZ-CE2 3.96Å
69	G	98	Very high	95	Very high	3 Å²	3	50.7 Å²	50.7	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	170.2	169.3	0	0	0	0	0	111.3	L105	G69-L105 PolarHBondContact N-O 3.34Å; G69-L105 PolarHBondContact O-N 3.19Å
70	L	98.3	Very high	94.7	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116.2	167.8	-61.8	167.5	0	0	0	108.8	V32 L52 F53 I82 F102 Y103 F104	V32-L70 HydrophobicContact CG1-CD2 3.58Å; L52-L70 HydrophobicContact CB-CD1 4.41Å; L52-L70 HydrophobicContact CD2-CD1 3.82Å; L52-L70 HydrophobicContact CG-CD1 3.8Å; F53-L70 HydrophobicContact CB-CD1 4.17Å; F53-L70 HydrophobicContact CD2-CG 4.11Å; L70-I82 HydrophobicContact CB-CB 4.06Å; L70-I82 HydrophobicContact CB-CG2 3.66Å; L70-I82 HydrophobicContact CD1-CG2 4.31Å; L70-I82 HydrophobicContact CG-CG2 4.33Å; L70-I82 PolarHBondContact O-N 3.24Å; L70-F102 HydrophobicContact CB-CB 4.22Å; L70-F102 HydrophobicContact CB-CD1 4.23Å; L70-F102 HydrophobicContact CB-CG 4.49Å; L70-F102 HydrophobicContact CD2-CB 4.14Å; L70-Y103 CarbonylContact C-O 3.58Å; L70-Y103 WeakPolarHBondContact CA-O 3.33Å; L70-F104 HydrophobicContact CD2-CB 4.04Å; L70-F104 HydrophobicContact CD2-CD2 3.94Å
71	Q	97.3	Very high	94.6	Very high	39 Å²	39	49.5 Å²	49.5	18%	0.182	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	148.2	169.2	-169.7	-178.4	73.2	0	0	109.5	F79 D80 W81 F102 Y103 L105	Q71-F79 HydrophobicContact CG-CB 4.16Å; Q71-F79 HydrophobicContact CG-CD1 4.46Å; Q71-D80 CarbonylContact C-O 3.59Å; Q71-D80 VanDerWaalsContact CA-O 3.31Å; Q71-D80 WeakPolarHBondContact CA-O 3.46Å; Q71-D80 WeakPolarHBondContact CG-O 3.37Å; Q71-W81 HydrophobicContact CB-CD2 4.43Å; Q71-W81 HydrophobicContact CB-CE3 4.03Å; Q71-W81 HydrophobicContact CB-CH2 4.43Å; Q71-W81 HydrophobicContact CB-CZ3 4.04Å; Q71-F102 CarbonylContact O-C 3.58Å; Q71-F102 VanDerWaalsContact O-CA 3.29Å; Q71-F102 WeakPolarHBondContact O-CA 3.37Å; Q71-Y103 PolarHBondContact N-O 3.49Å; Q71-Y103 PolarHBondContact O-N 3.49Å; Q71-L105 HydrophobicContact CB-CD1 4.18Å
72	F	96.2	Very high	94.6	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.013	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	160.3	173.3	66.2	-90.8	0	0	0	111.2	F79 D80 W81 I82 V93 F102	F72-F79 WeakPolarHBondContact O-CA 3.49Å; F72-D80 WeakPolarHBondContact CD1-O 3.47Å; F72-D80 HydrophobicContact CE1-CB 4.11Å; F72-D80 HydrophobicContact CE2-CB 4.14Å; F72-D80 HydrophobicContact CZ-CB 3.77Å; F72-D80 PolarHBondContact N-O 2.97Å; F72-D80 PolarHBondContact O-N 2.96Å; F72-W81 WeakPolarHBondContact CE1-O 3.38Å; F72-I82 HydrophobicContact CD1-CD1 4.47Å; F72-V93 HydrophobicContact CB-CG1 3.96Å; F72-V93 HydrophobicContact CB-CG2 4.46Å; F72-V93 HydrophobicContact CD1-CG2 4.17Å; F72-V93 HydrophobicContact CD2-CB 3.91Å; F72-V93 HydrophobicContact CD2-CG1 3.92Å; F72-V93 HydrophobicContact CD2-CG2 3.66Å; F72-V93 HydrophobicContact CE1-CG2 4.32Å; F72-V93 HydrophobicContact CE2-CB 4.29Å; F72-V93 HydrophobicContact CE2-CG2 3.85Å; F72-V93 HydrophobicContact CG-CB 4.38Å; F72-V93 HydrophobicContact CG-CG1 4.11Å; F72-V93 HydrophobicContact CG-CG2 3.84Å; F72-V93 HydrophobicContact CZ-CG2 4.18Å; F72-F102 HydrophobicContact CB-CD1 3.71Å; F72-F102 HydrophobicContact CB-CE1 3.82Å; F72-F102 HydrophobicContact CD1-CD1 4.47Å; F72-F102 HydrophobicContact CD1-CE1 4.24Å; F72-F102 HydrophobicContact CG-CD1 4.47Å; F72-F102 HydrophobicContact CG-CE1 4.24Å
73	T	94.1	Very high	94.5	Very high	32 Å²	32	49.9 Å²	49.9	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	119.6	169.5	-54.6	0	0	0	0	109.2	F79 R94	T73-F79 WeakPolarHBondContact OG1-CE1 3.32Å; T73-R94 WeakPolarHBondContact O-CB 3.45Å; T73-R94 PolarHBondContact O-N 2.9Å
74	S	92.2	Very high	94.5	Very high	8 Å²	8	49.3 Å²	49.3	6%	0.056	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-66.1	164.3	176.2	65.2	0	0	0	0	112.1	K76 G77 Y78 D92	S74-K76 PolarHBondContact O-N 3.34Å; S74-G77 PolarHBondContact O-N 3.42Å; S74-Y78 WeakPolarHBondContact CB-O 3.45Å; S74-Y78 PolarHBondContact N-O 2.93Å; S74-Y78 PolarHBondContact OG-N 2.91Å; S74-Y78 PolarHBondContact OG-O 3.37Å; S74-D92 CarbonylContact C-O 3.57Å; S74-D92 WeakPolarHBondContact CA-O 3.39Å
75	K	93.1	Very high	94.4	Very high	138 Å²	138	55.7 Å²	55.7	60%	0.6	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.3	175.4	-65.7	-179.3	-159.4	151.3	0	113.4	D92	K75-D92 WeakPolarHBondContact CD-OD1 3.35Å; K75-D92 WeakPolarHBondContact CE-OD1 3.47Å; K75-D92 WeakPolarHBondContact CG-OD1 3.45Å; K75-D92 PolarHBondContact N-O 3.46Å; K75-D92 IonicContact NZ-OD1 2.68Å; K75-D92 PolarHBondContact NZ-OD1 2.92Å
76	K	89.2	Confident	94.3	Very high	166 Å²	166	59.2 Å²	59.2	72%	0.722	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-0.6	175.9	-64	-176.6	-178.8	-179.8	0	113.9	S74 Y78	S74-K76 PolarHBondContact O-N 3.34Å; K76-Y78 HydrophobicContact CB-CD2 3.67Å; K76-Y78 HydrophobicContact CB-CE2 3.72Å; K76-Y78 HydrophobicContact CD-CE2 4.31Å
77	G	88	Confident	94.4	Very high	42 Å²	42	61.7 Å²	61.7	43%	0.433	29%	0.29	S	S	.	.	S	Bend	trans	86.9	1.9	179.4	0	0	0	0	0	115.2	S74	S74-G77 PolarHBondContact O-N 3.42Å
78	Y	86.4	Confident	94.3	Very high	152 Å²	152	61.7 Å²	61.7	60%	0.596	29%	0.29	S	S	*	.			trans	-83.1	144.7	173.6	-55.5	-69.3	0	0	0	111.3	S74 K76	S74-Y78 WeakPolarHBondContact CB-O 3.45Å; S74-Y78 PolarHBondContact N-O 2.93Å; S74-Y78 PolarHBondContact OG-N 2.91Å; S74-Y78 PolarHBondContact OG-O 3.37Å; K76-Y78 HydrophobicContact CB-CD2 3.67Å; K76-Y78 HydrophobicContact CB-CE2 3.72Å; K76-Y78 HydrophobicContact CD-CE2 4.31Å
79	F	89.5	Confident	94.1	Very high	131 Å²	131	63.9 Å²	63.9	58%	0.575	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	137.2	168.3	-61.8	-69.6	0	0	0	110.9	Q71 F72 T73	Q71-F79 HydrophobicContact CG-CB 4.16Å; Q71-F79 HydrophobicContact CG-CD1 4.46Å; F72-F79 WeakPolarHBondContact O-CA 3.49Å; T73-F79 WeakPolarHBondContact OG1-CE1 3.32Å
80	D	91.5	Very high	94	Very high	58 Å²	58	66.4 Å²	66.4	31%	0.31	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.1	176.2	-155.3	-5.1	0	0	0	110.3	Q71 F72	Q71-D80 CarbonylContact C-O 3.59Å; Q71-D80 VanDerWaalsContact CA-O 3.31Å; Q71-D80 WeakPolarHBondContact CA-O 3.46Å; Q71-D80 WeakPolarHBondContact CG-O 3.37Å; F72-D80 WeakPolarHBondContact CD1-O 3.47Å; F72-D80 HydrophobicContact CE1-CB 4.11Å; F72-D80 HydrophobicContact CE2-CB 4.14Å; F72-D80 HydrophobicContact CZ-CB 3.77Å; F72-D80 PolarHBondContact N-O 2.97Å; F72-D80 PolarHBondContact O-N 2.96Å
81	W	95.1	Very high	93.8	Very high	26 Å²	26	66.9 Å²	66.9	10%	0.098	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	145	178.7	-63.6	93.7	0	0	0	110.9	Q71 F72 D83 L105 K107	Q71-W81 HydrophobicContact CB-CD2 4.43Å; Q71-W81 HydrophobicContact CB-CE3 4.03Å; Q71-W81 HydrophobicContact CB-CH2 4.43Å; Q71-W81 HydrophobicContact CB-CZ3 4.04Å; F72-W81 WeakPolarHBondContact CE1-O 3.38Å; W81-D83 PolarHBondContact O-N 3.31Å; W81-L105 HydrophobicContact CH2-CB 4.01Å; W81-L105 HydrophobicContact CZ3-CB 4.27Å; W81-K107 HydrophobicContact CD2-CD 3.68Å; W81-K107 HydrophobicContact CD2-CG 4.11Å; W81-K107 HydrophobicContact CE3-CB 4.37Å; W81-K107 HydrophobicContact CE3-CD 3.84Å; W81-K107 HydrophobicContact CE3-CG 4.27Å; W81-K107 HydrophobicContact CG-CD 4.07Å; W81-K107 HydrophobicContact CH2-CB 3.68Å; W81-K107 HydrophobicContact CH2-CD 4.46Å; W81-K107 HydrophobicContact CH2-CG 3.98Å; W81-K107 HydrophobicContact CZ2-CB 4.03Å; W81-K107 HydrophobicContact CZ2-CD 4.34Å; W81-K107 HydrophobicContact CZ2-CG 3.82Å; W81-K107 HydrophobicContact CZ3-CB 3.87Å; W81-K107 HydrophobicContact CZ3-CD 4.22Å; W81-K107 HydrophobicContact CZ3-CG 4.2Å
82	I	96.2	Very high	93.6	Very high	8 Å²	8	68.1 Å²	68.1	4%	0.041	34%	0.335	C	S	.	.			trans	-60.9	132.4	175.8	-161.7	77.7	0	0	0	110.2	L70 F72 F84 V88 Q91 F102	L70-I82 HydrophobicContact CB-CB 4.06Å; L70-I82 HydrophobicContact CB-CG2 3.66Å; L70-I82 HydrophobicContact CD1-CG2 4.31Å; L70-I82 HydrophobicContact CG-CG2 4.33Å; L70-I82 PolarHBondContact O-N 3.24Å; F72-I82 HydrophobicContact CD1-CD1 4.47Å; I82-F84 HydrophobicContact CG2-CD1 3.57Å; I82-F84 HydrophobicContact CG2-CE1 3.4Å; I82-F84 VanDerWaalsContact CG2-CE1 3.4Å; I82-F84 PolarHBondContact O-N 3.14Å; I82-V88 HydrophobicContact CD1-CG2 4.41Å; I82-Q91 VanDerWaalsContact CD1-NE2 3.33Å; I82-F102 HydrophobicContact CD1-CD1 4.48Å; I82-F102 HydrophobicContact CD1-CE1 3.76Å; I82-F102 HydrophobicContact CD1-CZ 4.4Å
83	D	95	Very high	93.6	Very high	50 Å²	50	68.2 Å²	68.2	27%	0.267	34%	0.336	S	S	.	.			trans	-79.8	114.2	165.9	-179.1	-19.7	0	0	0	108.6	W81 N85 R86 Q91	W81-D83 PolarHBondContact O-N 3.31Å; D83-N85 PolarHBondContact O-N 3.05Å; D83-N85 WeakPolarHBondContact OD1-CB 3.35Å; D83-N85 PolarHBondContact OD1-N 2.95Å; D83-R86 HydrophobicContact CB-CB 4.17Å; D83-R86 HydrophobicContact CB-CG 4.24Å; D83-R86 PolarHBondContact O-N 3.26Å; D83-R86 WeakPolarHBondContact OD2-CD 3.31Å; D83-R86 VanDerWaalsContact OD2-CG 3.31Å; D83-R86 WeakPolarHBondContact OD2-CG 3.34Å; D83-Q91 PolarHBondContact O-NE2 3.42Å
84	F	95.6	Very high	93.6	Very high	75 Å²	75	73.7 Å²	73.7	33%	0.329	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.8	-178.2	-72.1	-15.3	0	0	0	114.3	S50 F53 I82	S50-F84 WeakPolarHBondContact CB-O 3.5Å; S50-F84 PolarHBondContact N-O 3.43Å; S50-F84 VanDerWaalsContact N-O 3.1Å; S50-F84 PolarHBondContact OG-O 3.45Å; F53-F84 HydrophobicContact CB-CD1 4.43Å; F53-F84 HydrophobicContact CB-CE1 3.76Å; F53-F84 HydrophobicContact CB-CZ 4.16Å; F53-F84 HydrophobicContact CD1-CE1 4.45Å; F53-F84 AromaticContact CD1-CZ 4Å; F53-F84 HydrophobicContact CD1-CZ 4Å; F53-F84 AromaticContact CD2-CE1 3.85Å; F53-F84 HydrophobicContact CD2-CE1 3.85Å; F53-F84 AromaticContact CD2-CZ 3.67Å; F53-F84 HydrophobicContact CD2-CZ 3.67Å; F53-F84 HydrophobicContact CE1-CZ 4.32Å; F53-F84 HydrophobicContact CE2-CZ 4.03Å; F53-F84 AromaticContact CG-CE1 3.76Å; F53-F84 HydrophobicContact CG-CE1 3.76Å; F53-F84 AromaticContact CG-CZ 3.66Å; F53-F84 HydrophobicContact CG-CZ 3.66Å; F53-F84 HydrophobicContact CZ-CZ 4.33Å; I82-F84 HydrophobicContact CG2-CD1 3.57Å; I82-F84 HydrophobicContact CG2-CE1 3.4Å; I82-F84 VanDerWaalsContact CG2-CE1 3.4Å; I82-F84 PolarHBondContact O-N 3.14Å
85	N	95.4	Very high	93.5	Very high	135 Å²	135	80.2 Å²	80.2	72%	0.722	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-15	-178.3	-62.5	-52.8	0	0	0	112.9	D83	D83-N85 PolarHBondContact O-N 3.05Å; D83-N85 WeakPolarHBondContact OD1-CB 3.35Å; D83-N85 PolarHBondContact OD1-N 2.95Å
86	R	96.7	Very high	93.2	Very high	121 Å²	121	77.5 Å²	77.5	46%	0.457	38%	0.375	S	S	.	.	S	Bend	trans	-102.2	150.9	-176.4	-68.5	176.3	66.4	-166	0.1	112	R48 G49 D83 A90 Q91	R48-R86 WeakPolarHBondContact CA-O 3.38Å; G49-R86 PolarHBondContact N-O 2.72Å; D83-R86 HydrophobicContact CB-CB 4.17Å; D83-R86 HydrophobicContact CB-CG 4.24Å; D83-R86 PolarHBondContact O-N 3.26Å; D83-R86 WeakPolarHBondContact OD2-CD 3.31Å; D83-R86 VanDerWaalsContact OD2-CG 3.31Å; D83-R86 WeakPolarHBondContact OD2-CG 3.34Å; R86-A90 PolarHBondContact NH2-O 3.48Å; R86-Q91 HydrophobicContact CB-CG 3.95Å; R86-Q91 PolarHBondContact O-NE2 2.92Å
87	K	97.2	Very high	92.9	Very high	101 Å²	101	78.7 Å²	78.7	44%	0.439	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-63.5	139.7	171.7	-65	-177.8	177.1	174.3	0	110.7	I47 V89 A90 Q91	I47-K87 CarbonylContact O-C 3.59Å; I47-K87 VanDerWaalsContact O-CA 3.26Å; I47-K87 WeakPolarHBondContact O-CA 3.5Å; K87-V89 VanDerWaalsContact C-N 3.32Å; K87-V89 HydrophobicContact CB-CG2 4.31Å; K87-V89 PolarHBondContact O-N 3.21Å; K87-A90 HydrophobicContact CB-CB 4.04Å; K87-A90 WeakPolarHBondContact O-CB 3.33Å; K87-A90 PolarHBondContact O-N 3.43Å; K87-Q91 WeakPolarHBondContact O-CG 3.49Å; K87-Q91 PolarHBondContact O-N 2.83Å
88	V	96.3	Very high	92.6	Very high	0 Å²	0	82.4 Å²	82.4	0%	0	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-54	-48.9	179.9	171.7	0	0	0	0	111.5	I28 I47 L52 I82 A90 Q91 Y100 F102	I28-V88 HydrophobicContact CD1-CG1 4.3Å; I47-V88 HydrophobicContact CG2-CB 4.16Å; I47-V88 HydrophobicContact CG2-CG2 3.86Å; I47-V88 PolarHBondContact O-N 3.02Å; L52-V88 HydrophobicContact CB-CG2 4.36Å; L52-V88 HydrophobicContact CD2-CG2 3.86Å; I82-V88 HydrophobicContact CD1-CG2 4.41Å; V88-A90 PolarHBondContact O-N 3.08Å; V88-A90 VanDerWaalsContact O-N 3.15Å; V88-Q91 PolarHBondContact O-N 2.68Å; V88-Q91 VanDerWaalsContact O-N 3.14Å; V88-Y100 HydrophobicContact CG1-CD1 4.47Å; V88-Y100 HydrophobicContact CG1-CG 4.49Å; V88-F102 HydrophobicContact CG1-CE2 4.07Å; V88-F102 HydrophobicContact CG1-CZ 3.56Å
89	V	95	Very high	92.9	Very high	54 Å²	54	75.6 Å²	75.6	33%	0.327	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-65.4	-17.4	179.5	-58.9	0	0	0	0	114.5	I28 K45 K87 Y100	I28-V89 HydrophobicContact CD1-CG1 3.76Å; I28-V89 HydrophobicContact CG2-CG1 4.29Å; K45-V89 HydrophobicContact CB-CG1 4.47Å; K45-V89 HydrophobicContact CG-CG1 4.47Å; K45-V89 VanDerWaalsContact O-CG2 3.24Å; K45-V89 WeakPolarHBondContact O-CG2 3.42Å; K87-V89 VanDerWaalsContact C-N 3.32Å; K87-V89 HydrophobicContact CB-CG2 4.31Å; K87-V89 PolarHBondContact O-N 3.21Å; V89-Y100 HydrophobicContact CG1-CE2 4.24Å
90	A	95.6	Very high	93.2	Very high	55 Å²	55	71 Å²	71	46%	0.455	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-93.3	-2.9	-179.6	0	0	0	0	0	112.6	R86 K87 V88	R86-A90 PolarHBondContact NH2-O 3.48Å; K87-A90 HydrophobicContact CB-CB 4.04Å; K87-A90 WeakPolarHBondContact O-CB 3.33Å; K87-A90 PolarHBondContact O-N 3.43Å; V88-A90 PolarHBondContact O-N 3.08Å; V88-A90 VanDerWaalsContact O-N 3.15Å
91	Q	94.7	Very high	93.5	Very high	11 Å²	11	70.4 Å²	70.4	5%	0.051	34%	0.343	C	S	.	.	S	Bend	trans	-94.2	164.2	177	-61.9	-173.3	53	0	0	110.4	I82 D83 R86 K87 V88 V93	I82-Q91 VanDerWaalsContact CD1-NE2 3.33Å; D83-Q91 PolarHBondContact O-NE2 3.42Å; R86-Q91 HydrophobicContact CB-CG 3.95Å; R86-Q91 PolarHBondContact O-NE2 2.92Å; K87-Q91 WeakPolarHBondContact O-CG 3.49Å; K87-Q91 PolarHBondContact O-N 2.83Å; V88-Q91 PolarHBondContact O-N 2.68Å; V88-Q91 VanDerWaalsContact O-N 3.14Å; Q91-V93 HydrophobicContact CB-CG2 4.06Å; Q91-V93 PolarHBondContact O-N 3.45Å
92	D	93.6	Very high	93.6	Very high	65 Å²	65	69.1 Å²	69.1	35%	0.348	34%	0.338	S	S	.	.			trans	-80.1	33.8	-172.7	-162.2	39.2	0	0	0	113.3	S74 K75 R94	S74-D92 CarbonylContact C-O 3.57Å; S74-D92 WeakPolarHBondContact CA-O 3.39Å; K75-D92 WeakPolarHBondContact CD-OD1 3.35Å; K75-D92 WeakPolarHBondContact CE-OD1 3.47Å; K75-D92 WeakPolarHBondContact CG-OD1 3.45Å; K75-D92 PolarHBondContact N-O 3.46Å; K75-D92 IonicContact NZ-OD1 2.68Å; K75-D92 PolarHBondContact NZ-OD1 2.92Å; D92-R94 PolarHBondContact O-N 3.49Å
93	V	95.2	Very high	93.7	Very high	4 Å²	4	72.7 Å²	72.7	2%	0.024	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-68.9	131.4	-176.4	-169.2	0	0	0	0	110	F72 Q91 K95 Y100 F102	F72-V93 HydrophobicContact CB-CG1 3.96Å; F72-V93 HydrophobicContact CB-CG2 4.46Å; F72-V93 HydrophobicContact CD1-CG2 4.17Å; F72-V93 HydrophobicContact CD2-CB 3.91Å; F72-V93 HydrophobicContact CD2-CG1 3.92Å; F72-V93 HydrophobicContact CD2-CG2 3.66Å; F72-V93 HydrophobicContact CE1-CG2 4.32Å; F72-V93 HydrophobicContact CE2-CB 4.29Å; F72-V93 HydrophobicContact CE2-CG2 3.85Å; F72-V93 HydrophobicContact CG-CB 4.38Å; F72-V93 HydrophobicContact CG-CG1 4.11Å; F72-V93 HydrophobicContact CG-CG2 3.84Å; F72-V93 HydrophobicContact CZ-CG2 4.18Å; Q91-V93 HydrophobicContact CB-CG2 4.06Å; Q91-V93 PolarHBondContact O-N 3.45Å; V93-K95 PolarHBondContact O-N 3Å; V93-Y100 HydrophobicContact CB-CD1 3.84Å; V93-Y100 HydrophobicContact CB-CE1 4.15Å; V93-Y100 HydrophobicContact CG1-CD1 3.73Å; V93-Y100 HydrophobicContact CG1-CE1 4.49Å; V93-F102 HydrophobicContact CG1-CE1 4.11Å; V93-F102 HydrophobicContact CG1-CZ 4.07Å; V93-F102 HydrophobicContact CG2-CE1 3.94Å; V93-F102 HydrophobicContact CG2-CZ 4.1Å
94	R	93.5	Very high	93.9	Very high	147 Å²	147	70.4 Å²	70.4	56%	0.555	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-68	125.9	170.3	-177	178.8	176.8	-173.4	-1.5	108.9	T73 D92	T73-R94 WeakPolarHBondContact O-CB 3.45Å; T73-R94 PolarHBondContact O-N 2.9Å; D92-R94 PolarHBondContact O-N 3.49Å
95	K	90.7	Very high	94	Very high	146 Å²	146	68.2 Å²	68.2	64%	0.635	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	131.5	172.7	-162.6	-178.4	176.8	-170.7	0	109.4	V93 G99	V93-K95 PolarHBondContact O-N 3Å; K95-G99 WeakPolarHBondContact CG-O 3.41Å
96	V	87.6	Confident	94.2	Very high	80 Å²	80	62 Å²	62	49%	0.485	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	167.7	171.9	-169.6	0	0	0	0	108	D98 G99 H101	V96-D98 PolarHBondContact O-N 3.28Å; V96-D98 VanDerWaalsContact O-N 3.15Å; V96-G99 PolarHBondContact N-O 3.45Å; V96-G99 PolarHBondContact O-N 2.97Å; V96-G99 VanDerWaalsContact O-N 3.09Å; V96-H101 HydrophobicContact CG2-CB 4.36Å
97	E	81.5	Confident	94.2	Very high	191 Å²	191	57.2 Å²	57.2	89%	0.893	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-42.7	-177	-65.2	-175.3	169.9	0	0	112.5
98	D	82.3	Confident	94.3	Very high	120 Å²	120	53.6 Å²	53.6	64%	0.642	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	5.8	-176.6	-61.8	-38	0	0	0	115.5	N29 V96	N29-D98 VanDerWaalsContact CB-O 3.24Å; N29-D98 WeakPolarHBondContact CB-O 3.2Å; V96-D98 PolarHBondContact O-N 3.28Å; V96-D98 VanDerWaalsContact O-N 3.15Å
99	G	92.6	Very high	94.3	Very high	9 Å²	9	54.6 Å²	54.6	9%	0.093	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	131.8	-138.4	177.9	0	0	0	0	0	114.6	N29 K95 V96	N29-G99 WeakPolarHBondContact O-CA 3.41Å; K95-G99 WeakPolarHBondContact CG-O 3.41Å; V96-G99 PolarHBondContact N-O 3.45Å; V96-G99 PolarHBondContact O-N 2.97Å; V96-G99 VanDerWaalsContact O-N 3.09Å
100	Y	96	Very high	94.5	Very high	34 Å²	34	52.1 Å²	52.1	13%	0.133	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.2	178.6	-63.6	-92.5	0	0	0	110.4	I28 N29 V30 R31 V88 V89 V93	I28-Y100 HydrophobicContact CB-CD2 4.2Å; I28-Y100 HydrophobicContact CB-CE2 4.07Å; I28-Y100 HydrophobicContact CD1-CD2 3.77Å; I28-Y100 HydrophobicContact CD1-CE2 3.77Å; I28-Y100 HydrophobicContact CG2-CE2 3.9Å; N29-Y100 PolarHBondContact O-N 3.2Å; V30-Y100 CarbonylContact C-O 3.51Å; V30-Y100 WeakPolarHBondContact CA-O 3.43Å; R31-Y100 PolarHBondContact N-O 3.43Å; V88-Y100 HydrophobicContact CG1-CD1 4.47Å; V88-Y100 HydrophobicContact CG1-CG 4.49Å; V89-Y100 HydrophobicContact CG1-CE2 4.24Å; V93-Y100 HydrophobicContact CB-CD1 3.84Å; V93-Y100 HydrophobicContact CB-CE1 4.15Å; V93-Y100 HydrophobicContact CG1-CD1 3.73Å; V93-Y100 HydrophobicContact CG1-CE1 4.49Å
101	H	97	Very high	94.4	Very high	46 Å²	46	51.6 Å²	51.6	21%	0.213	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.4	178.7	-172	-163.7	0	0	0	110.4	R31 S33 V96 Y103	R31-H101 WeakPolarHBondContact O-CA 3.48Å; S33-H101 PolarHBondContact OG-NE2 3.09Å; V96-H101 HydrophobicContact CG2-CB 4.36Å; H101-Y103 AromaticContact CE1-CE1 3.86Å; H101-Y103 AromaticContact CE1-CZ 3.72Å
102	F	98.2	Very high	94.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	154.6	177.1	-57.8	-85.9	0	0	0	110.7	V30 R31 V32 S33 L52 L70 Q71 F72 I82 V88 V93	V30-F102 HydrophobicContact CG1-CD2 3.55Å; V30-F102 HydrophobicContact CG1-CE2 3.63Å; R31-F102 PolarHBondContact O-N 2.94Å; V32-F102 CarbonylContact C-O 3.59Å; V32-F102 WeakPolarHBondContact CA-O 3.49Å; V32-F102 HydrophobicContact CG1-CB 4.48Å; V32-F102 HydrophobicContact CG2-CB 4.29Å; V32-F102 HydrophobicContact CG2-CD2 4.46Å; S33-F102 PolarHBondContact N-O 3.29Å; L52-F102 HydrophobicContact CD2-CD2 3.98Å; L52-F102 HydrophobicContact CD2-CE2 3.85Å; L52-F102 HydrophobicContact CD2-CZ 4.36Å; L70-F102 HydrophobicContact CB-CB 4.22Å; L70-F102 HydrophobicContact CB-CD1 4.23Å; L70-F102 HydrophobicContact CB-CG 4.49Å; L70-F102 HydrophobicContact CD2-CB 4.14Å; Q71-F102 CarbonylContact O-C 3.58Å; Q71-F102 VanDerWaalsContact O-CA 3.29Å; Q71-F102 WeakPolarHBondContact O-CA 3.37Å; F72-F102 HydrophobicContact CB-CD1 3.71Å; F72-F102 HydrophobicContact CB-CE1 3.82Å; F72-F102 HydrophobicContact CD1-CD1 4.47Å; F72-F102 HydrophobicContact CD1-CE1 4.24Å; F72-F102 HydrophobicContact CG-CD1 4.47Å; F72-F102 HydrophobicContact CG-CE1 4.24Å; I82-F102 HydrophobicContact CD1-CD1 4.48Å; I82-F102 HydrophobicContact CD1-CE1 3.76Å; I82-F102 HydrophobicContact CD1-CZ 4.4Å; V88-F102 HydrophobicContact CG1-CE2 4.07Å; V88-F102 HydrophobicContact CG1-CZ 3.56Å; V93-F102 HydrophobicContact CG1-CE1 4.11Å; V93-F102 HydrophobicContact CG1-CZ 4.07Å; V93-F102 HydrophobicContact CG2-CE1 3.94Å; V93-F102 HydrophobicContact CG2-CZ 4.1Å
103	Y	98.3	Very high	94.5	Very high	82 Å²	82	50.8 Å²	50.8	32%	0.322	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.2	171.4	-57.1	-86.7	0	0	0	109	S33 L70 Q71 H101 L105	S33-Y103 CarbonylContact O-C 3.47Å; S33-Y103 VanDerWaalsContact O-CA 3.3Å; S33-Y103 WeakPolarHBondContact O-CA 3.36Å; L70-Y103 CarbonylContact C-O 3.58Å; L70-Y103 WeakPolarHBondContact CA-O 3.33Å; Q71-Y103 PolarHBondContact N-O 3.49Å; Q71-Y103 PolarHBondContact O-N 3.49Å; H101-Y103 AromaticContact CE1-CE1 3.86Å; H101-Y103 AromaticContact CE1-CZ 3.72Å; Y103-L105 PolarHBondContact O-N 2.75Å
104	F	98.6	Very high	94.3	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.009	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	104.8	173.9	-177.3	-90.5	0	0	0	108.9	V32 S33 T34 F53 V56 I60 L62 F68 L70 L125	V32-F104 HydrophobicContact CG1-CB 3.84Å; S33-F104 PolarHBondContact O-N 2.75Å; T34-F104 HydrophobicContact CG2-CB 3.95Å; T34-F104 HydrophobicContact CG2-CD1 4.12Å; T34-F104 HydrophobicContact CG2-CG 4.29Å; F53-F104 HydrophobicContact CD2-CD2 4.4Å; F53-F104 HydrophobicContact CD2-CE2 4.04Å; F53-F104 HydrophobicContact CE2-CD2 4.13Å; F53-F104 AromaticContact CE2-CE2 3.48Å; F53-F104 HydrophobicContact CE2-CE2 3.48Å; F53-F104 VanDerWaalsContact CE2-CE2 3.48Å; F53-F104 HydrophobicContact CE2-CZ 4.35Å; F53-F104 HydrophobicContact CZ-CE2 4.01Å; V56-F104 HydrophobicContact CB-CD2 4.43Å; V56-F104 HydrophobicContact CG1-CB 4.39Å; V56-F104 HydrophobicContact CG1-CD2 3.56Å; V56-F104 HydrophobicContact CG1-CE2 3.96Å; V56-F104 HydrophobicContact CG1-CG 4.01Å; I60-F104 HydrophobicContact CD1-CD1 4.32Å; I60-F104 HydrophobicContact CD1-CE1 3.77Å; I60-F104 HydrophobicContact CD1-CZ 4Å; L62-F104 HydrophobicContact CD1-CE1 4.28Å; L62-F104 HydrophobicContact CD1-CZ 4.36Å; F68-F104 HydrophobicContact CB-CE1 3.87Å; F68-F104 HydrophobicContact CB-CE2 3.81Å; F68-F104 HydrophobicContact CB-CZ 3.4Å; F68-F104 VanDerWaalsContact CB-CZ 3.4Å; F68-F104 AromaticContact CD1-CD1 3.94Å; F68-F104 HydrophobicContact CD1-CD1 3.94Å; F68-F104 AromaticContact CD1-CE1 3.26Å; F68-F104 HydrophobicContact CD1-CE1 3.26Å; F68-F104 AromaticContact CD1-CZ 3.73Å; F68-F104 HydrophobicContact CD1-CZ 3.73Å; F68-F104 HydrophobicContact CD2-CE1 4.35Å; F68-F104 HydrophobicContact CD2-CZ 4.13Å; F68-F104 AromaticContact CE1-CE1 3.85Å; F68-F104 HydrophobicContact CE1-CE1 3.85Å; F68-F104 AromaticContact CG-CE1 3.56Å; F68-F104 HydrophobicContact CG-CE1 3.56Å; F68-F104 HydrophobicContact CG-CE2 4.37Å; F68-F104 AromaticContact CG-CZ 3.48Å; F68-F104 HydrophobicContact CG-CZ 3.48Å; F68-F104 VanDerWaalsContact CG-CZ 3.48Å; L70-F104 HydrophobicContact CD2-CB 4.04Å; L70-F104 HydrophobicContact CD2-CD2 3.94Å; F104-L125 HydrophobicContact CD1-CD1 4.29Å; F104-L125 HydrophobicContact CE1-CD1 3.89Å
105	L	98.4	Very high	94.1	Very high	30 Å²	30	51 Å²	51	16%	0.157	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	154.1	-169.3	-62	176.1	0	0	0	111.1	M35 F68 G69 Q71 W81 Y103 K107	M35-L105 HydrophobicContact SD-CD2 3.8Å; F68-L105 CarbonylContact C-O 3.59Å; F68-L105 VanDerWaalsContact CA-O 3.32Å; F68-L105 WeakPolarHBondContact CA-O 3.5Å; G69-L105 PolarHBondContact N-O 3.34Å; G69-L105 PolarHBondContact O-N 3.19Å; Q71-L105 HydrophobicContact CB-CD1 4.18Å; W81-L105 HydrophobicContact CH2-CB 4.01Å; W81-L105 HydrophobicContact CZ3-CB 4.27Å; Y103-L105 PolarHBondContact O-N 2.75Å; L105-K107 PolarHBondContact O-N 3.45Å
106	V	98.2	Very high	94.4	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	117.8	165.1	178.5	0	0	0	0	108.4	F68 F108 F109 F126 Q129	F68-V106 HydrophobicContact CD1-CG2 4.1Å; F68-V106 HydrophobicContact CE1-CG2 3.6Å; F68-V106 HydrophobicContact CZ-CG2 4.23Å; V106-F108 VanDerWaalsContact CG1-O 3.26Å; V106-F108 WeakPolarHBondContact CG1-O 3.46Å; V106-F109 HydrophobicContact CG1-CD1 4.38Å; V106-F109 HydrophobicContact CG1-CD2 4.15Å; V106-F109 HydrophobicContact CG1-CE1 4.17Å; V106-F109 HydrophobicContact CG1-CE2 3.92Å; V106-F109 HydrophobicContact CG1-CG 4.37Å; V106-F109 HydrophobicContact CG1-CZ 3.94Å; V106-F126 HydrophobicContact CB-CE1 4.35Å; V106-F126 HydrophobicContact CB-CZ 4.37Å; V106-F126 HydrophobicContact CG1-CD1 4.06Å; V106-F126 HydrophobicContact CG1-CE1 3.38Å; V106-F126 HydrophobicContact CG1-CE2 4.15Å; V106-F126 HydrophobicContact CG1-CZ 3.43Å; V106-F126 VanDerWaalsContact CG1-CZ 3.43Å; V106-F126 HydrophobicContact CG2-CD1 4.01Å; V106-F126 HydrophobicContact CG2-CD2 3.81Å; V106-F126 HydrophobicContact CG2-CE1 4.04Å; V106-F126 HydrophobicContact CG2-CE2 3.86Å; V106-F126 HydrophobicContact CG2-CG 3.9Å; V106-F126 HydrophobicContact CG2-CZ 3.98Å; V106-Q129 PolarHBondContact O-NE2 3.05Å
107	K	97.6	Very high	94.8	Very high	22 Å²	22	42.1 Å²	42.1	10%	0.096	20%	0.204	C	C	.	.			trans	-98.1	-37.6	174.9	-173.1	172.7	-177.2	172.6	0	111.3	F67 W81 L105 H228 E307 L308	F67-K107 PolarHBondContact O-N 2.88Å; W81-K107 HydrophobicContact CD2-CD 3.68Å; W81-K107 HydrophobicContact CD2-CG 4.11Å; W81-K107 HydrophobicContact CE3-CB 4.37Å; W81-K107 HydrophobicContact CE3-CD 3.84Å; W81-K107 HydrophobicContact CE3-CG 4.27Å; W81-K107 HydrophobicContact CG-CD 4.07Å; W81-K107 HydrophobicContact CH2-CB 3.68Å; W81-K107 HydrophobicContact CH2-CD 4.46Å; W81-K107 HydrophobicContact CH2-CG 3.98Å; W81-K107 HydrophobicContact CZ2-CB 4.03Å; W81-K107 HydrophobicContact CZ2-CD 4.34Å; W81-K107 HydrophobicContact CZ2-CG 3.82Å; W81-K107 HydrophobicContact CZ3-CB 3.87Å; W81-K107 HydrophobicContact CZ3-CD 4.22Å; W81-K107 HydrophobicContact CZ3-CG 4.2Å; L105-K107 PolarHBondContact O-N 3.45Å; K107-H228 PolarHBondContact O-NE2 3.38Å; K107-E307 IonicContact NZ-OE2 3.74Å; K107-L308 HydrophobicContact CG-CD2 3.99Å
108	F	98.4	Very high	95.5	Very high	24 Å²	24	33.4 Å²	33.4	11%	0.105	16%	0.163	C	C	.	.	S	Bend	trans	-124.8	143.9	-178.7	-55.3	-74	0	0	0	110.9	W66 F67 V106 L308 L315	W66-F108 WeakPolarHBondContact O-CD2 3.5Å; F67-F108 VanDerWaalsContact CD1-O 3.3Å; F67-F108 WeakPolarHBondContact CD1-O 3.4Å; F67-F108 PolarHBondContact O-N 3.1Å; V106-F108 VanDerWaalsContact CG1-O 3.26Å; V106-F108 WeakPolarHBondContact CG1-O 3.46Å; F108-L308 HydrophobicContact CE1-CD2 4.13Å; F108-L315 HydrophobicContact CB-CD1 3.36Å; F108-L315 HydrophobicContact CD1-CD1 4.29Å; F108-L315 HydrophobicContact CD2-CD1 4.15Å; F108-L315 HydrophobicContact CG-CD1 3.69Å
109	F	98.2	Very high	96.2	Very high	22 Å²	22	29.7 Å²	29.7	10%	0.096	14%	0.142	C	C	.	.			trans	-107.5	150.8	-176.2	-71.4	-102.8	0	0	0	111.4	V106 F126 V130 Y225 S246 R319	V106-F109 HydrophobicContact CG1-CD1 4.38Å; V106-F109 HydrophobicContact CG1-CD2 4.15Å; V106-F109 HydrophobicContact CG1-CE1 4.17Å; V106-F109 HydrophobicContact CG1-CE2 3.92Å; V106-F109 HydrophobicContact CG1-CG 4.37Å; V106-F109 HydrophobicContact CG1-CZ 3.94Å; F109-F126 HydrophobicContact CD1-CD1 4.32Å; F109-F126 AromaticContact CD1-CE1 3.83Å; F109-F126 HydrophobicContact CD1-CE1 3.83Å; F109-F126 HydrophobicContact CE1-CD1 4.45Å; F109-F126 HydrophobicContact CE1-CE1 4.26Å; F109-F126 HydrophobicContact CG-CE1 4.33Å; F109-V130 HydrophobicContact CE1-CG2 3.99Å; F109-Y225 HydrophobicContact CB-CE1 4.4Å; F109-Y225 AromaticContact CD1-CE1 3.86Å; F109-Y225 HydrophobicContact CD1-CE1 3.86Å; F109-Y225 HydrophobicContact CD1-CE2 4.11Å; F109-Y225 AromaticContact CD1-CZ 3.61Å; F109-Y225 HydrophobicContact CE1-CE2 4.23Å; F109-Y225 HydrophobicContact CG-CE1 4.5Å; F109-S246 WeakPolarHBondContact O-CB 3.34Å; F109-R319 PolarHBondContact O-NH2 3.05Å
110	P	97.2	Very high	96.3	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.013	15%	0.148	C	C	.	.			trans	-63.7	160.7	169.3	29.9	-35.3	0	0	0	111.6	F67 V113 E116 L117 F126 S246	F67-P110 HydrophobicContact CE1-CB 4.29Å; F67-P110 HydrophobicContact CZ-CB 4.3Å; P110-V113 HydrophobicContact CG-CB 4.4Å; P110-V113 HydrophobicContact CG-CG1 3.7Å; P110-E116 HydrophobicContact CB-CB 3.7Å; P110-E116 HydrophobicContact CB-CG 4.18Å; P110-L117 HydrophobicContact CG-CD2 4.22Å; P110-L117 HydrophobicContact CG-CG 4.47Å; P110-F126 VanDerWaalsContact CD-CE1 3.43Å; P110-F126 HydrophobicContact CG-CE1 4.39Å; P110-S246 PolarHBondContact O-OG 3.34Å
111	E	95	Very high	96.3	Very high	44 Å²	44	31.6 Å²	31.6	21%	0.206	15%	0.152	C	C	.	.	S	Bend	trans	-78	-35.7	162.8	-73.5	174.9	-143.2	0	0	110.8	E116 L247 R319 R320	E111-E116 WeakPolarHBondContact CA-OE1 3.47Å; E111-E116 WeakPolarHBondContact CB-OE1 3.49Å; E111-E116 PolarHBondContact N-OE1 2.9Å; E111-L247 HydrophobicContact CB-CD2 4.43Å; E111-L247 HydrophobicContact CG-CD2 3.88Å; E111-R319 VanDerWaalsContact CD-CD 3.46Å; E111-R319 WeakPolarHBondContact OE1-CD 3.41Å; E111-R319 IonicContact OE1-CZ 3.4Å; E111-R319 IonicContact OE1-NE 3.77Å; E111-R319 IonicContact OE1-NH1 3.25Å; E111-R319 PolarHBondContact OE1-NH1 2.89Å; E111-R320 IonicContact OE1-CZ 3.86Å; E111-R320 IonicContact OE1-NH1 3.39Å; E111-R320 PolarHBondContact OE1-NH1 2.78Å; E111-R320 IonicContact OE1-NH2 2.67Å; E111-R320 IonicContact OE2-CZ 2.96Å; E111-R320 IonicContact OE2-NH1 3.97Å; E111-R320 PolarHBondContact OE2-NH1 3.05Å; E111-R320 IonicContact OE2-NH2 2.69Å; E111-R320 PolarHBondContact OE2-NH2 2.83Å
112	D	94.5	Very high	96.3	Very high	58 Å²	58	29.4 Å²	29.4	31%	0.31	14%	0.142	S	C	.	.			trans	-139.2	118.6	171.2	-173.2	-25.9	0	0	0	110.5	S114 E115 E116	D112-S114 VanDerWaalsContact C-N 3.25Å; D112-S114 PolarHBondContact O-N 2.89Å; D112-S114 VanDerWaalsContact OD1-CB 3.29Å; D112-S114 WeakPolarHBondContact OD1-CB 3.3Å; D112-S114 PolarHBondContact OD1-N 3.43Å; D112-S114 PolarHBondContact OD1-OG 3.37Å; D112-E115 HydrophobicContact CB-CB 4.25Å; D112-E115 HydrophobicContact CB-CG 4.35Å; D112-E115 PolarHBondContact O-N 2.88Å; D112-E116 PolarHBondContact N-OE1 3.33Å; D112-E116 WeakPolarHBondContact O-CB 3.35Å; D112-E116 PolarHBondContact O-N 3.17Å; D112-E116 VanDerWaalsContact O-N 3.08Å
113	V	96.2	Very high	96.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-31.5	-179.1	-60	0	0	0	0	112.9	P110 L117 L213 L216 R217 Q220 Y225	P110-V113 HydrophobicContact CG-CB 4.4Å; P110-V113 HydrophobicContact CG-CG1 3.7Å; V113-L117 HydrophobicContact CB-CD1 4.06Å; V113-L117 HydrophobicContact CB-CG 4.41Å; V113-L117 HydrophobicContact CG1-CD1 4.4Å; V113-L117 WeakPolarHBondContact O-CB 3.5Å; V113-L117 WeakPolarHBondContact O-CG 3.46Å; V113-L117 PolarHBondContact O-N 2.82Å; V113-L213 HydrophobicContact CG2-CD1 4.39Å; V113-L216 HydrophobicContact CB-CB 4.33Å; V113-L216 HydrophobicContact CG1-CB 4.26Å; V113-L216 HydrophobicContact CG2-CB 4.12Å; V113-R217 HydrophobicContact CG2-CG 3.92Å; V113-Q220 HydrophobicContact CG1-CB 4.26Å; V113-Q220 VanDerWaalsContact N-OE1 3.13Å; V113-Y225 WeakPolarHBondContact CG1-OH 3.16Å
114	S	90.7	Very high	96.3	Very high	27 Å²	27	26.9 Å²	26.9	19%	0.189	13%	0.133	C	C	.	.	H	α-helix	trans	-72.8	-33.8	-176	-53.1	0	0	0	0	112.5	D112 R217	D112-S114 VanDerWaalsContact C-N 3.25Å; D112-S114 PolarHBondContact O-N 2.89Å; D112-S114 VanDerWaalsContact OD1-CB 3.29Å; D112-S114 WeakPolarHBondContact OD1-CB 3.3Å; D112-S114 PolarHBondContact OD1-N 3.43Å; D112-S114 PolarHBondContact OD1-OG 3.37Å; S114-R217 PolarHBondContact OG-NE 3.27Å; S114-R217 PolarHBondContact OG-NH2 3.43Å
115	E	89.9	Confident	96.3	Very high	130 Å²	130	26.9 Å²	26.9	61%	0.607	13%	0.133	S	C	*	.	H	α-helix	trans	-93.9	-29.6	-174.6	-65.4	-59.1	134.9	0	0	112.7	D112	D112-E115 HydrophobicContact CB-CB 4.25Å; D112-E115 HydrophobicContact CB-CG 4.35Å; D112-E115 PolarHBondContact O-N 2.88Å
116	E	95.5	Very high	96.4	Very high	34 Å²	34	25.5 Å²	25.5	16%	0.159	13%	0.126	C	C	.	.	H	α-helix	trans	-100.4	-30	-172.8	-71.2	-173.6	-120.3	0	0	115.1	F67 P110 E111 D112 R319	F67-E116 HydrophobicContact CZ-CB 4.27Å; P110-E116 HydrophobicContact CB-CB 3.7Å; P110-E116 HydrophobicContact CB-CG 4.18Å; E111-E116 WeakPolarHBondContact CA-OE1 3.47Å; E111-E116 WeakPolarHBondContact CB-OE1 3.49Å; E111-E116 PolarHBondContact N-OE1 2.9Å; D112-E116 PolarHBondContact N-OE1 3.33Å; D112-E116 WeakPolarHBondContact O-CB 3.35Å; D112-E116 PolarHBondContact O-N 3.17Å; D112-E116 VanDerWaalsContact O-N 3.08Å; E116-R319 IonicContact OE1-CZ 2.91Å; E116-R319 IonicContact OE1-NE 2.69Å; E116-R319 PolarHBondContact OE1-NE 2.91Å; E116-R319 IonicContact OE1-NH2 3.89Å; E116-R319 IonicContact OE2-CZ 2.75Å; E116-R319 IonicContact OE2-NE 3.69Å; E116-R319 PolarHBondContact OE2-NE 3.36Å; E116-R319 IonicContact OE2-NH2 2.93Å; E116-R319 PolarHBondContact OE2-NH2 3.41Å
117	L	97.3	Very high	96.4	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	13%	0.127	C	C	.	.			trans	-83.7	118.1	-179.7	-55.9	-174.3	0	0	0	110.5	F67 P110 V113 T122 Q123 F126 L216 R338	F67-L117 HydrophobicContact CD2-CD2 4.34Å; F67-L117 HydrophobicContact CE2-CD2 3.88Å; F67-L117 HydrophobicContact CZ-CD2 4.32Å; P110-L117 HydrophobicContact CG-CD2 4.22Å; P110-L117 HydrophobicContact CG-CG 4.47Å; V113-L117 HydrophobicContact CB-CD1 4.06Å; V113-L117 HydrophobicContact CB-CG 4.41Å; V113-L117 HydrophobicContact CG1-CD1 4.4Å; V113-L117 WeakPolarHBondContact O-CB 3.5Å; V113-L117 WeakPolarHBondContact O-CG 3.46Å; V113-L117 PolarHBondContact O-N 2.82Å; L117-T122 HydrophobicContact CD2-CG2 4Å; L117-Q123 HydrophobicContact CD1-CG 4.42Å; L117-F126 HydrophobicContact CD1-CB 4.29Å; L117-F126 HydrophobicContact CD1-CD2 4.38Å; L117-F126 HydrophobicContact CD1-CG 4.23Å; L117-F126 HydrophobicContact CD2-CD2 3.98Å; L117-F126 HydrophobicContact CD2-CE2 3.84Å; L117-F126 HydrophobicContact CD2-CG 4.49Å; L117-F126 HydrophobicContact CD2-CZ 4.25Å; L117-L216 HydrophobicContact CD1-CD1 3.91Å; L117-R338 PolarHBondContact O-NH2 2.89Å
118	I	96.2	Very high	96.4	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.041	13%	0.13	C	C	.	.			trans	-102.4	-54.3	-169.3	-54.3	167.8	0	0	0	111.5	E64 V327 M330 K331 A334	E64-I118 HydrophobicContact CG-CB 4.42Å; E64-I118 HydrophobicContact CG-CD1 4.38Å; E64-I118 WeakPolarHBondContact OE1-CB 3.38Å; E64-I118 PolarHBondContact OE1-N 3.48Å; E64-I118 PolarHBondContact OE2-N 2.94Å; I118-V327 HydrophobicContact CD1-CG1 3.96Å; I118-M330 HydrophobicContact CD1-CB 4.27Å; I118-M330 HydrophobicContact CG2-CB 3.91Å; I118-M330 WeakPolarHBondContact CG2-O 3.43Å; I118-K331 HydrophobicContact CD1-CG 3.84Å; I118-K331 HydrophobicContact CG1-CG 3.91Å; I118-K331 HydrophobicContact CG2-CG 4.23Å; I118-A334 HydrophobicContact CG2-CB 3.6Å; I118-A334 VanDerWaalsContact O-CB 3.28Å; I118-A334 WeakPolarHBondContact O-CB 3.49Å
119	Q	95.5	Very high	96.5	Very high	43 Å²	43	26.3 Å²	26.3	20%	0.201	13%	0.131	C	C	.	.	S	Bend	trans	-91.1	144.4	-175.7	-57.7	-177.9	-95.6	0	0	111.6	G61 R63 E64 I121 T122 Q123	G61-Q119 PolarHBondContact O-NE2 3.5Å; R63-Q119 VanDerWaalsContact CB-OE1 3.28Å; E64-Q119 WeakPolarHBondContact OE2-CB 3.36Å; E64-Q119 WeakPolarHBondContact OE2-CG 3.47Å; E64-Q119 PolarHBondContact OE2-N 3.04Å; Q119-I121 VanDerWaalsContact C-N 3.27Å; Q119-I121 HydrophobicContact CB-CG2 4.01Å; Q119-I121 PolarHBondContact O-N 2.9Å; Q119-T122 WeakPolarHBondContact O-CB 3.44Å; Q119-T122 PolarHBondContact O-N 3Å; Q119-T122 VanDerWaalsContact O-N 3.09Å; Q119-Q123 PolarHBondContact O-N 3.4Å
120	D	94.8	Very high	96.5	Very high	39 Å²	39	25.3 Å²	25.3	21%	0.209	13%	0.127	C	C	.	.	H	α-helix	trans	-62.4	-34.4	178.5	-43.1	-58.7	0	0	0	112	T122 Q123 H124 E209 R341	D120-T122 VanDerWaalsContact C-N 3.34Å; D120-T122 PolarHBondContact O-N 3.32Å; D120-Q123 PolarHBondContact O-N 2.99Å; D120-H124 VanDerWaalsContact O-CB 3.27Å; D120-H124 WeakPolarHBondContact O-CB 3.43Å; D120-H124 PolarHBondContact O-N 3.02Å; D120-E209 HydrophobicContact CB-CG 4.14Å; D120-R341 IonicContact OD1-CZ 4Å; D120-R341 IonicContact OD1-NH1 3.24Å; D120-R341 PolarHBondContact OD1-NH1 2.95Å; D120-R341 IonicContact OD2-CZ 3.7Å; D120-R341 IonicContact OD2-NH1 2.84Å; D120-R341 PolarHBondContact OD2-NH1 2.81Å; D120-R341 IonicContact OD2-NH2 3.81Å; D120-R341 PolarHBondContact OD2-NH2 3.26Å
121	I	96.6	Very high	96.5	Very high	44 Å²	44	26.9 Å²	26.9	23%	0.226	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-39.8	175.3	-175.6	59	0	0	0	112	L62 Q119 H124 L125	L62-I121 HydrophobicContact CB-CG2 4.32Å; Q119-I121 VanDerWaalsContact C-N 3.27Å; Q119-I121 HydrophobicContact CB-CG2 4.01Å; Q119-I121 PolarHBondContact O-N 2.9Å; I121-H124 PolarHBondContact O-N 3.45Å; I121-L125 HydrophobicContact CD1-CD1 4.37Å; I121-L125 HydrophobicContact CD1-CG 4.22Å; I121-L125 HydrophobicContact CG1-CD1 4.33Å; I121-L125 WeakPolarHBondContact O-CG 3.34Å; I121-L125 PolarHBondContact O-N 3.37Å; I121-L125 VanDerWaalsContact O-N 3.08Å
122	T	98.1	Very high	96.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.6	-50	175.8	-54.6	0	0	0	0	109.4	E64 F67 F68 L117 Q119 D120 H124 L125 F126	E64-T122 HydrophobicContact CB-CG2 4.06Å; E64-T122 WeakPolarHBondContact OE2-CB 3.47Å; E64-T122 PolarHBondContact OE2-OG1 3.02Å; F67-T122 HydrophobicContact CD2-CG2 4.24Å; F68-T122 HydrophobicContact CE2-CG2 3.9Å; F68-T122 HydrophobicContact CZ-CG2 4Å; L117-T122 HydrophobicContact CD2-CG2 4Å; Q119-T122 WeakPolarHBondContact O-CB 3.44Å; Q119-T122 PolarHBondContact O-N 3Å; Q119-T122 VanDerWaalsContact O-N 3.09Å; D120-T122 VanDerWaalsContact C-N 3.34Å; D120-T122 PolarHBondContact O-N 3.32Å; T122-H124 VanDerWaalsContact C-N 3.34Å; T122-H124 PolarHBondContact O-N 2.93Å; T122-L125 PolarHBondContact O-N 2.66Å; T122-F126 HydrophobicContact CG2-CD2 4Å; T122-F126 HydrophobicContact CG2-CE2 4.05Å; T122-F126 WeakPolarHBondContact O-CD2 3.48Å; T122-F126 PolarHBondContact O-N 3.15Å
123	Q	98.1	Very high	96.9	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.014	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-44.7	178.5	-168.1	-169.6	-77.3	0	0	112	L117 Q119 D120 L125 F126 F127 E209 L216	L117-Q123 HydrophobicContact CD1-CG 4.42Å; Q119-Q123 PolarHBondContact O-N 3.4Å; D120-Q123 PolarHBondContact O-N 2.99Å; Q123-L125 PolarHBondContact O-N 3.06Å; Q123-F126 WeakPolarHBondContact O-CB 3.47Å; Q123-F126 PolarHBondContact O-N 3.05Å; Q123-F127 WeakPolarHBondContact O-CB 3.29Å; Q123-F127 PolarHBondContact O-N 3.26Å; Q123-E209 PolarHBondContact NE2-O 2.97Å; Q123-L216 HydrophobicContact CG-CD1 3.88Å
124	H	98.4	Very high	97	Very high	26 Å²	26	27 Å²	27	12%	0.12	13%	0.134	C	C	.	.	H	α-helix	trans	-59.7	-47.6	179.4	-173.4	56.4	0	0	0	112	D36 D120 I121 T122 F126 F127 L128 K208 E212	D36-H124 IonicContact OD2-CD2 3.94Å; D36-H124 PolarHBondContact OD2-CD2 2.95Å; D36-H124 IonicContact OD2-NE2 3.93Å; D36-H124 PolarHBondContact OD2-NE2 3.31Å; D120-H124 VanDerWaalsContact O-CB 3.27Å; D120-H124 WeakPolarHBondContact O-CB 3.43Å; D120-H124 PolarHBondContact O-N 3.02Å; I121-H124 PolarHBondContact O-N 3.45Å; T122-H124 VanDerWaalsContact C-N 3.34Å; T122-H124 PolarHBondContact O-N 2.93Å; H124-F126 PolarHBondContact O-N 3.34Å; H124-F127 WeakPolarHBondContact O-CB 3.42Å; H124-F127 PolarHBondContact O-N 3.07Å; H124-L128 WeakPolarHBondContact NE2-CD1 3.4Å; H124-L128 WeakPolarHBondContact O-CG 3.48Å; H124-L128 PolarHBondContact O-N 3.25Å; H124-K208 PolarHBondContact CE1-NZ 3.45Å; H124-E212 WeakPolarHBondContact CA-OE2 3.34Å; H124-E212 IonicContact CE1-OE1 3.61Å; H124-E212 PolarHBondContact CE1-OE1 2.75Å; H124-E212 VanDerWaalsContact CE1-OE1 3.32Å; H124-E212 IonicContact CG-OE1 3.57Å; H124-E212 IonicContact CG-OE2 2.74Å; H124-E212 VanDerWaalsContact ND1-CD 3.33Å; H124-E212 IonicContact ND1-OE1 3.04Å; H124-E212 PolarHBondContact ND1-OE1 3.03Å; H124-E212 IonicContact ND1-OE2 2.67Å; H124-E212 PolarHBondContact ND1-OE2 2.88Å
125	L	98.6	Very high	97.3	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-66.2	-37.9	178.7	-66.8	178.1	0	0	0	112.3	M35 I60 L62 F68 F104 I121 T122 Q123 Q129	M35-L125 HydrophobicContact CB-CD2 4.17Å; I60-L125 HydrophobicContact CD1-CD1 4.09Å; L62-L125 HydrophobicContact CD1-CD1 3.94Å; F68-L125 HydrophobicContact CE1-CB 3.96Å; F68-L125 HydrophobicContact CE1-CD1 4.07Å; F68-L125 HydrophobicContact CZ-CB 4.29Å; F68-L125 HydrophobicContact CZ-CD1 4.39Å; F104-L125 HydrophobicContact CD1-CD1 4.29Å; F104-L125 HydrophobicContact CE1-CD1 3.89Å; I121-L125 HydrophobicContact CD1-CD1 4.37Å; I121-L125 HydrophobicContact CD1-CG 4.22Å; I121-L125 HydrophobicContact CG1-CD1 4.33Å; I121-L125 WeakPolarHBondContact O-CG 3.34Å; I121-L125 PolarHBondContact O-N 3.37Å; I121-L125 VanDerWaalsContact O-N 3.08Å; T122-L125 PolarHBondContact O-N 2.66Å; Q123-L125 PolarHBondContact O-N 3.06Å; L125-Q129 WeakPolarHBondContact O-CB 3.4Å; L125-Q129 PolarHBondContact O-N 2.92Å; L125-Q129 VanDerWaalsContact O-N 3.09Å
126	F	98.7	Very high	97.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.3	-48.7	171.3	-96.4	-91.7	0	0	0	111.5	F67 F68 V106 F109 P110 L117 T122 Q123 H124 L128 Q129 V130 L216	F67-F126 HydrophobicContact CB-CE2 3.68Å; F67-F126 HydrophobicContact CB-CZ 3.73Å; F67-F126 HydrophobicContact CD1-CE2 4.47Å; F67-F126 AromaticContact CD1-CZ 3.97Å; F67-F126 HydrophobicContact CD1-CZ 3.97Å; F67-F126 AromaticContact CD2-CE2 3.9Å; F67-F126 HydrophobicContact CD2-CE2 3.9Å; F67-F126 HydrophobicContact CD2-CZ 4.2Å; F67-F126 AromaticContact CG-CE2 3.78Å; F67-F126 HydrophobicContact CG-CE2 3.78Å; F67-F126 AromaticContact CG-CZ 3.72Å; F67-F126 HydrophobicContact CG-CZ 3.72Å; F68-F126 HydrophobicContact CE2-CE2 4.31Å; F68-F126 HydrophobicContact CZ-CD2 4.03Å; F68-F126 AromaticContact CZ-CE2 3.96Å; F68-F126 HydrophobicContact CZ-CE2 3.96Å; V106-F126 HydrophobicContact CB-CE1 4.35Å; V106-F126 HydrophobicContact CB-CZ 4.37Å; V106-F126 HydrophobicContact CG1-CD1 4.06Å; V106-F126 HydrophobicContact CG1-CE1 3.38Å; V106-F126 HydrophobicContact CG1-CE2 4.15Å; V106-F126 HydrophobicContact CG1-CZ 3.43Å; V106-F126 VanDerWaalsContact CG1-CZ 3.43Å; V106-F126 HydrophobicContact CG2-CD1 4.01Å; V106-F126 HydrophobicContact CG2-CD2 3.81Å; V106-F126 HydrophobicContact CG2-CE1 4.04Å; V106-F126 HydrophobicContact CG2-CE2 3.86Å; V106-F126 HydrophobicContact CG2-CG 3.9Å; V106-F126 HydrophobicContact CG2-CZ 3.98Å; F109-F126 HydrophobicContact CD1-CD1 4.32Å; F109-F126 AromaticContact CD1-CE1 3.83Å; F109-F126 HydrophobicContact CD1-CE1 3.83Å; F109-F126 HydrophobicContact CE1-CD1 4.45Å; F109-F126 HydrophobicContact CE1-CE1 4.26Å; F109-F126 HydrophobicContact CG-CE1 4.33Å; P110-F126 VanDerWaalsContact CD-CE1 3.43Å; P110-F126 HydrophobicContact CG-CE1 4.39Å; L117-F126 HydrophobicContact CD1-CB 4.29Å; L117-F126 HydrophobicContact CD1-CD2 4.38Å; L117-F126 HydrophobicContact CD1-CG 4.23Å; L117-F126 HydrophobicContact CD2-CD2 3.98Å; L117-F126 HydrophobicContact CD2-CE2 3.84Å; L117-F126 HydrophobicContact CD2-CG 4.49Å; L117-F126 HydrophobicContact CD2-CZ 4.25Å; T122-F126 HydrophobicContact CG2-CD2 4Å; T122-F126 HydrophobicContact CG2-CE2 4.05Å; T122-F126 WeakPolarHBondContact O-CD2 3.48Å; T122-F126 PolarHBondContact O-N 3.15Å; Q123-F126 WeakPolarHBondContact O-CB 3.47Å; Q123-F126 PolarHBondContact O-N 3.05Å; H124-F126 PolarHBondContact O-N 3.34Å; F126-L128 PolarHBondContact O-N 2.97Å; F126-Q129 PolarHBondContact O-N 3.38Å; F126-V130 WeakPolarHBondContact O-CB 3.2Å; F126-V130 VanDerWaalsContact O-CG2 3.23Å; F126-V130 WeakPolarHBondContact O-CG2 3.14Å; F126-V130 PolarHBondContact O-N 2.78Å; F126-L216 HydrophobicContact CB-CD1 3.88Å; F126-L216 HydrophobicContact CB-CD2 4.25Å
127	F	98.8	Very high	97.7	Very high	11 Å²	11	25.9 Å²	25.9	5%	0.048	13%	0.13	C	C	.	.	H	α-helix	trans	-55.2	-51.6	178.6	158.2	-105.5	0	0	0	111.1	Q123 H124 Q129 V130 K131 A153 A156 E212 Y215 L216	Q123-F127 WeakPolarHBondContact O-CB 3.29Å; Q123-F127 PolarHBondContact O-N 3.26Å; H124-F127 WeakPolarHBondContact O-CB 3.42Å; H124-F127 PolarHBondContact O-N 3.07Å; F127-Q129 PolarHBondContact O-N 2.9Å; F127-V130 PolarHBondContact O-N 3.38Å; F127-K131 HydrophobicContact CE2-CD 4.41Å; F127-K131 HydrophobicContact CZ-CD 4.11Å; F127-K131 VanDerWaalsContact O-CB 3.23Å; F127-K131 WeakPolarHBondContact O-CB 3.22Å; F127-K131 PolarHBondContact O-N 3.5Å; F127-A153 HydrophobicContact CE2-CB 4.32Å; F127-A153 HydrophobicContact CZ-CB 4.19Å; F127-A156 HydrophobicContact CZ-CB 4.22Å; F127-E212 HydrophobicContact CB-CB 4.06Å; F127-E212 HydrophobicContact CB-CG 4.14Å; F127-E212 HydrophobicContact CD1-CB 4.45Å; F127-E212 HydrophobicContact CD1-CG 3.63Å; F127-E212 HydrophobicContact CD2-CB 4.32Å; F127-E212 HydrophobicContact CD2-CG 4.11Å; F127-E212 HydrophobicContact CE1-CG 4.01Å; F127-E212 HydrophobicContact CE2-CG 4.46Å; F127-E212 HydrophobicContact CG-CB 4.02Å; F127-E212 HydrophobicContact CG-CG 3.68Å; F127-E212 HydrophobicContact CZ-CG 4.41Å; F127-Y215 AromaticContact CD2-CD1 3.79Å; F127-Y215 HydrophobicContact CD2-CD1 3.79Å; F127-Y215 HydrophobicContact CD2-CD2 4.15Å; F127-Y215 HydrophobicContact CD2-CE1 4.4Å; F127-Y215 AromaticContact CD2-CG 3.68Å; F127-Y215 HydrophobicContact CD2-CG 3.68Å; F127-Y215 HydrophobicContact CE2-CD1 4.14Å; F127-Y215 AromaticContact CE2-CD2 3.67Å; F127-Y215 HydrophobicContact CE2-CD2 3.67Å; F127-Y215 HydrophobicContact CE2-CE2 4.12Å; F127-Y215 AromaticContact CE2-CG 3.7Å; F127-Y215 HydrophobicContact CE2-CG 3.7Å; F127-L216 HydrophobicContact CB-CD1 4.3Å; F127-L216 HydrophobicContact CB-CG 4.37Å
128	L	98.6	Very high	97.6	Very high	30 Å²	30	30.2 Å²	30.2	16%	0.157	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-44.6	-178.9	-67.8	177.4	0	0	0	112.1	M35 D36 H124 F126 Q132	M35-L128 HydrophobicContact CB-CB 3.61Å; M35-L128 HydrophobicContact CB-CD1 3.69Å; M35-L128 HydrophobicContact CB-CG 4.33Å; M35-L128 HydrophobicContact CE-CB 4.22Å; M35-L128 HydrophobicContact CG-CB 4.04Å; D36-L128 HydrophobicContact CB-CD1 3.71Å; H124-L128 WeakPolarHBondContact NE2-CD1 3.4Å; H124-L128 WeakPolarHBondContact O-CG 3.48Å; H124-L128 PolarHBondContact O-N 3.25Å; F126-L128 PolarHBondContact O-N 2.97Å; L128-Q132 WeakPolarHBondContact O-CB 3.43Å; L128-Q132 PolarHBondContact O-N 2.89Å
129	Q	98.7	Very high	97.7	Very high	26 Å²	26	30.2 Å²	30.2	12%	0.121	15%	0.154	C	C	.	.	H	α-helix	trans	-67.7	-44.6	-179.2	-172.3	172.6	-42.6	0	0	111.9	M35 V106 L125 F126 F127 K131 Q132 S133	M35-Q129 HydrophobicContact CE-CB 4.34Å; M35-Q129 HydrophobicContact CG-CB 4.05Å; M35-Q129 HydrophobicContact SD-CB 3.92Å; M35-Q129 HydrophobicContact SD-CG 4.21Å; V106-Q129 PolarHBondContact O-NE2 3.05Å; L125-Q129 WeakPolarHBondContact O-CB 3.4Å; L125-Q129 PolarHBondContact O-N 2.92Å; L125-Q129 VanDerWaalsContact O-N 3.09Å; F126-Q129 PolarHBondContact O-N 3.38Å; F127-Q129 PolarHBondContact O-N 2.9Å; Q129-K131 VanDerWaalsContact C-N 3.35Å; Q129-Q132 PolarHBondContact O-N 2.87Å; Q129-S133 PolarHBondContact O-N 3.5Å; Q129-S133 PolarHBondContact O-OG 2.86Å
130	V	98.7	Very high	97.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-64.2	-41.9	178.2	174.2	0	0	0	0	110.6	F109 F126 F127 Q132 S133 I134 I139 Y215 L216 A219 Y225	F109-V130 HydrophobicContact CE1-CG2 3.99Å; F126-V130 WeakPolarHBondContact O-CB 3.2Å; F126-V130 VanDerWaalsContact O-CG2 3.23Å; F126-V130 WeakPolarHBondContact O-CG2 3.14Å; F126-V130 PolarHBondContact O-N 2.78Å; F127-V130 PolarHBondContact O-N 3.38Å; V130-Q132 PolarHBondContact O-N 3.37Å; V130-S133 PolarHBondContact O-N 3.14Å; V130-I134 HydrophobicContact CG1-CD1 4.02Å; V130-I134 WeakPolarHBondContact O-CG1 3.43Å; V130-I134 PolarHBondContact O-N 3.32Å; V130-I139 HydrophobicContact CG1-CD1 4.36Å; V130-Y215 HydrophobicContact CG1-CE1 4.23Å; V130-L216 HydrophobicContact CB-CD2 4.02Å; V130-L216 HydrophobicContact CG1-CD2 4.35Å; V130-L216 HydrophobicContact CG2-CD2 3.88Å; V130-A219 HydrophobicContact CG1-CB 3.71Å; V130-Y225 HydrophobicContact CG1-CD2 4.14Å; V130-Y225 HydrophobicContact CG1-CE2 4.07Å; V130-Y225 HydrophobicContact CG2-CD2 4.39Å; V130-Y225 HydrophobicContact CG2-CE2 3.76Å
131	K	98.7	Very high	98	Very high	35 Å²	35	26.6 Å²	26.6	15%	0.152	14%	0.135	C	C	.	.	H	α-helix	trans	-56.8	-49.3	173.3	-173.1	-173.6	83.6	73.5	0	111.1	F127 Q129 S133 I134 L135 A153 D175 Y215	F127-K131 HydrophobicContact CE2-CD 4.41Å; F127-K131 HydrophobicContact CZ-CD 4.11Å; F127-K131 VanDerWaalsContact O-CB 3.23Å; F127-K131 WeakPolarHBondContact O-CB 3.22Å; F127-K131 PolarHBondContact O-N 3.5Å; Q129-K131 VanDerWaalsContact C-N 3.35Å; K131-S133 VanDerWaalsContact C-N 3.33Å; K131-S133 PolarHBondContact O-N 3.41Å; K131-I134 PolarHBondContact O-N 2.93Å; K131-L135 HydrophobicContact CG-CD1 4.15Å; K131-L135 VanDerWaalsContact NZ-CD1 3.33Å; K131-L135 WeakPolarHBondContact O-CG 3.37Å; K131-L135 PolarHBondContact O-N 3.28Å; K131-A153 HydrophobicContact CD-CB 4.14Å; K131-D175 PolarHBondContact NZ-O 3.06Å; K131-Y215 WeakPolarHBondContact CA-OH 3.34Å; K131-Y215 HydrophobicContact CB-CE1 4.26Å; K131-Y215 HydrophobicContact CG-CE2 4.42Å
132	Q	98.2	Very high	97.9	Very high	76 Å²	76	24.7 Å²	24.7	36%	0.355	13%	0.126	S	C	.	.	H	α-helix	trans	-61.7	-41.5	178.5	-169	63.6	45.8	0	0	112	M35 L128 Q129 V130 I134 L135 N136	M35-Q132 HydrophobicContact CE-CB 4.02Å; L128-Q132 WeakPolarHBondContact O-CB 3.43Å; L128-Q132 PolarHBondContact O-N 2.89Å; Q129-Q132 PolarHBondContact O-N 2.87Å; V130-Q132 PolarHBondContact O-N 3.37Å; Q132-I134 VanDerWaalsContact C-N 3.32Å; Q132-I134 PolarHBondContact O-N 3.21Å; Q132-L135 PolarHBondContact O-N 3.26Å; Q132-N136 PolarHBondContact NE2-ND2 3.28Å; Q132-N136 PolarHBondContact NE2-OD1 3.03Å; Q132-N136 VanDerWaalsContact O-CB 3.3Å; Q132-N136 WeakPolarHBondContact O-CB 3.2Å; Q132-N136 VanDerWaalsContact O-CG 3.23Å; Q132-N136 PolarHBondContact O-N 3.43Å
133	S	98.1	Very high	97.8	Very high	23 Å²	23	25 Å²	25	16%	0.161	13%	0.128	C	C	.	.	H	α-helix	trans	-64.3	-33.9	176.8	-69.3	0	0	0	0	113.2	Q129 V130 K131 M137 D138 I139	Q129-S133 PolarHBondContact O-N 3.5Å; Q129-S133 PolarHBondContact O-OG 2.86Å; V130-S133 PolarHBondContact O-N 3.14Å; K131-S133 VanDerWaalsContact C-N 3.33Å; K131-S133 PolarHBondContact O-N 3.41Å; S133-M137 PolarHBondContact O-N 3.29Å; S133-D138 WeakPolarHBondContact O-CB 3.5Å; S133-D138 PolarHBondContact O-N 3.44Å; S133-I139 PolarHBondContact O-N 3.36Å
134	I	98.6	Very high	97.6	Very high	4 Å²	4	25 Å²	25	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-68.4	-48	173.1	-72.1	166.6	0	0	0	110.5	V130 K131 Q132 N136 M137 I139 C141 L149 P178 Y215 A219 L222	V130-I134 HydrophobicContact CG1-CD1 4.02Å; V130-I134 WeakPolarHBondContact O-CG1 3.43Å; V130-I134 PolarHBondContact O-N 3.32Å; K131-I134 PolarHBondContact O-N 2.93Å; Q132-I134 VanDerWaalsContact C-N 3.32Å; Q132-I134 PolarHBondContact O-N 3.21Å; I134-N136 VanDerWaalsContact C-N 3.31Å; I134-N136 PolarHBondContact O-N 3.37Å; I134-M137 PolarHBondContact O-N 2.98Å; I134-M137 VanDerWaalsContact O-N 3.09Å; I134-I139 HydrophobicContact CG1-CB 3.99Å; I134-I139 HydrophobicContact CG1-CG2 4.05Å; I134-C141 HydrophobicContact CG1-CB 4.44Å; I134-C141 HydrophobicContact CG2-CB 3.68Å; I134-L149 HydrophobicContact CD1-CD1 3.79Å; I134-P178 HydrophobicContact CG2-CG 3.95Å; I134-P178 WeakPolarHBondContact O-CG 3.45Å; I134-Y215 HydrophobicContact CD1-CE1 4.16Å; I134-Y215 WeakPolarHBondContact CD1-OH 3.32Å; I134-A219 HydrophobicContact CD1-CB 4.2Å; I134-L222 HydrophobicContact CD1-CD1 3.9Å; I134-L222 HydrophobicContact CG1-CD1 4.26Å
135	L	98.2	Very high	97.5	Very high	23 Å²	23	24.1 Å²	24.1	12%	0.12	13%	0.125	C	C	.	.	H	α-helix	trans	-61.1	-39.7	179.4	-66.4	171.1	0	0	0	112.3	K131 Q132 M137 D175 L176	K131-L135 HydrophobicContact CG-CD1 4.15Å; K131-L135 VanDerWaalsContact NZ-CD1 3.33Å; K131-L135 WeakPolarHBondContact O-CG 3.37Å; K131-L135 PolarHBondContact O-N 3.28Å; Q132-L135 PolarHBondContact O-N 3.26Å; L135-M137 PolarHBondContact O-N 3.14Å; L135-D175 VanDerWaalsContact CD1-O 3.29Å; L135-D175 WeakPolarHBondContact CD1-O 3.43Å; L135-L176 VanDerWaalsContact CD2-C 3.49Å
136	N	96.9	Very high	97.4	Very high	91 Å²	91	24.1 Å²	24.1	49%	0.487	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-1.1	178	-69.9	-6.1	0	0	0	114	Q132 I134 D138	Q132-N136 PolarHBondContact NE2-ND2 3.28Å; Q132-N136 PolarHBondContact NE2-OD1 3.03Å; Q132-N136 VanDerWaalsContact O-CB 3.3Å; Q132-N136 WeakPolarHBondContact O-CB 3.2Å; Q132-N136 VanDerWaalsContact O-CG 3.23Å; Q132-N136 PolarHBondContact O-N 3.43Å; I134-N136 VanDerWaalsContact C-N 3.31Å; I134-N136 PolarHBondContact O-N 3.37Å; N136-D138 PolarHBondContact O-N 3Å
137	M	95.7	Very high	97.3	Very high	54 Å²	54	24.1 Å²	24.1	27%	0.266	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	19.7	-174.3	-69.7	-70.5	-53.9	0	0	114.8	S133 I134 L135 I139 Y140 P178 R180	S133-M137 PolarHBondContact O-N 3.29Å; I134-M137 PolarHBondContact O-N 2.98Å; I134-M137 VanDerWaalsContact O-N 3.09Å; L135-M137 PolarHBondContact O-N 3.14Å; M137-I139 VanDerWaalsContact C-N 3.26Å; M137-Y140 HydrophobicContact CE-CD2 4.09Å; M137-P178 HydrophobicContact CG-CB 4.28Å; M137-P178 HydrophobicContact SD-CB 3.88Å; M137-R180 HydrophobicContact CE-CB 4.47Å; M137-R180 HydrophobicContact SD-CB 4.03Å; M137-R180 PolarHBondContact SD-NE 3.26Å
138	D	96.2	Very high	97.2	Very high	96 Å²	96	23.6 Å²	23.6	51%	0.513	12%	0.123	S	C	.	.	S	Bend	trans	-68.5	-31.5	167.7	-64.1	-45.9	0	0	0	110.9	S133 N136 M224	S133-D138 WeakPolarHBondContact O-CB 3.5Å; S133-D138 PolarHBondContact O-N 3.44Å; N136-D138 PolarHBondContact O-N 3Å; D138-M224 WeakPolarHBondContact O-CE 3.38Å
139	I	98	Very high	97.2	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.041	12%	0.116	C	C	.	.	S	Bend	trans	-116.3	118.3	170.7	-61.5	171	0	0	0	107.8	V130 S133 I134 M137 C141 L222 M224 Y225	V130-I139 HydrophobicContact CG1-CD1 4.36Å; S133-I139 PolarHBondContact O-N 3.36Å; I134-I139 HydrophobicContact CG1-CB 3.99Å; I134-I139 HydrophobicContact CG1-CG2 4.05Å; M137-I139 VanDerWaalsContact C-N 3.26Å; I139-C141 PolarHBondContact O-N 2.61Å; I139-L222 HydrophobicContact CG2-CB 4.07Å; I139-L222 HydrophobicContact CG2-CD1 3.74Å; I139-M224 HydrophobicContact CG2-CB 4.27Å; I139-Y225 HydrophobicContact CD1-CD2 4.47Å
140	Y	97.7	Very high	97.2	Very high	5 Å²	5	21.1 Å²	21.1	2%	0.02	11%	0.111	C	C	.	.			trans	-64.4	127.5	170.5	179.9	-94	0	0	0	110.4	M137 P142 M224 L258 L596 D597 Y600	M137-Y140 HydrophobicContact CE-CD2 4.09Å; Y140-P142 HydrophobicContact CE1-CB 4.22Å; Y140-M224 VanDerWaalsContact CB-SD 3.59Å; Y140-L258 HydrophobicContact CD1-CD1 4.02Å; Y140-L258 HydrophobicContact CD1-CD2 4.03Å; Y140-L258 HydrophobicContact CE1-CD1 4.25Å; Y140-L258 HydrophobicContact CG-CD1 4.47Å; Y140-L258 HydrophobicContact CG-CD2 4.07Å; Y140-L596 HydrophobicContact CD2-CB 3.48Å; Y140-L596 VanDerWaalsContact CD2-CB 3.48Å; Y140-L596 HydrophobicContact CD2-CD1 4.08Å; Y140-L596 HydrophobicContact CD2-CG 4.4Å; Y140-L596 HydrophobicContact CE2-CB 3.76Å; Y140-L596 HydrophobicContact CG-CB 4.14Å; Y140-D597 WeakPolarHBondContact CE2-OD1 3.41Å; Y140-D597 PolarHBondContact OH-OD1 3.44Å; Y140-Y600 HydrophobicContact CE1-CD1 4.29Å; Y140-Y600 AromaticContact CE1-CD2 3.99Å; Y140-Y600 HydrophobicContact CE1-CD2 3.99Å; Y140-Y600 AromaticContact CE1-CG 3.72Å; Y140-Y600 HydrophobicContact CE1-CG 3.72Å
141	C	97.5	Very high	97.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.			trans	-128.7	123.4	174.4	-175.6	0	0	0	0	109.3	I134 I139 S146 R180 L222	I134-C141 HydrophobicContact CG1-CB 4.44Å; I134-C141 HydrophobicContact CG2-CB 3.68Å; I139-C141 PolarHBondContact O-N 2.61Å; C141-S146 PolarHBondContact O-OG 2.94Å; C141-S146 PolarHBondContact SG-OG 3.21Å; C141-R180 PolarHBondContact O-NH2 2.9Å; C141-L222 HydrophobicContact CB-CD1 3.93Å; C141-L222 HydrophobicContact CB-CD2 4.49Å
142	P	95.9	Very high	97.1	Very high	5 Å²	5	20.4 Å²	20.4	3%	0.032	11%	0.107	C	C	.	.			trans	-68.1	160.3	-179.3	31.6	-36.2	0	0	0	111.1	Y140 E144 A145 S146 Y600	Y140-P142 HydrophobicContact CE1-CB 4.22Å; P142-E144 VanDerWaalsContact CB-OE1 3.24Å; P142-E144 WeakPolarHBondContact CB-OE1 3.45Å; P142-E144 VanDerWaalsContact CG-OE1 3.32Å; P142-E144 WeakPolarHBondContact CG-OE1 3.34Å; P142-E144 PolarHBondContact O-N 3.28Å; P142-A145 HydrophobicContact CG-CB 3.77Å; P142-A145 PolarHBondContact O-N 3.01Å; P142-S146 WeakPolarHBondContact O-CB 3.36Å; P142-S146 PolarHBondContact O-N 2.99Å; P142-S146 PolarHBondContact O-OG 2.68Å; P142-Y600 HydrophobicContact CB-CD1 3.97Å; P142-Y600 HydrophobicContact CB-CE1 3.41Å; P142-Y600 VanDerWaalsContact CB-CE1 3.41Å; P142-Y600 HydrophobicContact CB-CE2 4.14Å; P142-Y600 HydrophobicContact CG-CE1 4.09Å; P142-Y600 HydrophobicContact CG-CE2 4.03Å
143	P	95.6	Very high	97.1	Very high	5 Å²	5	17.1 Å²	17.1	3%	0.032	9%	0.093	C	C	.	.	H	α-helix	trans	-61.4	-46.3	-167.1	-29.4	42.1	0	0	0	114	A145 S146 V147 V181 Q184 Y185 I584	P143-A145 PolarHBondContact O-N 3.32Å; P143-S146 WeakPolarHBondContact O-CB 3.37Å; P143-S146 PolarHBondContact O-N 3.04Å; P143-S146 VanDerWaalsContact O-N 3.13Å; P143-V147 PolarHBondContact O-N 3.46Å; P143-V181 HydrophobicContact CB-CG1 4.09Å; P143-Q184 VanDerWaalsContact CG-NE2 3.25Å; P143-Y185 HydrophobicContact CB-CE2 3.65Å; P143-Y185 HydrophobicContact CG-CE2 3.59Å; P143-Y185 WeakPolarHBondContact CG-OH 3.35Å; P143-I584 HydrophobicContact CB-CD1 3.76Å
144	E	94	Very high	97	Very high	3 Å²	3	16.2 Å²	16.2	1%	0.014	9%	0.087	C	C	.	.	H	α-helix	trans	-63.1	-39.4	178.2	67.9	-65.3	160.1	0	0	112.6	P142 S146 V147 L148 L577 L580 R581 Y600	P142-E144 VanDerWaalsContact CB-OE1 3.24Å; P142-E144 WeakPolarHBondContact CB-OE1 3.45Å; P142-E144 VanDerWaalsContact CG-OE1 3.32Å; P142-E144 WeakPolarHBondContact CG-OE1 3.34Å; P142-E144 PolarHBondContact O-N 3.28Å; E144-S146 VanDerWaalsContact C-N 3.34Å; E144-V147 PolarHBondContact O-N 3.43Å; E144-L148 PolarHBondContact O-N 3.4Å; E144-L577 HydrophobicContact CB-CD2 4.09Å; E144-L577 HydrophobicContact CG-CB 4.29Å; E144-L577 HydrophobicContact CG-CD2 4.1Å; E144-L577 WeakPolarHBondContact O-CD2 3.47Å; E144-L580 HydrophobicContact CB-CB 4.35Å; E144-L580 HydrophobicContact CB-CD2 3.99Å; E144-L580 HydrophobicContact CB-CG 4.14Å; E144-R581 HydrophobicContact CB-CB 4.45Å; E144-R581 HydrophobicContact CG-CB 4.34Å; E144-R581 IonicContact OE1-CZ 2.69Å; E144-R581 IonicContact OE1-NH1 3.92Å; E144-R581 PolarHBondContact OE1-NH1 3.05Å; E144-R581 IonicContact OE1-NH2 3.55Å; E144-R581 PolarHBondContact OE1-NH2 3.01Å; E144-R581 IonicContact OE2-CZ 3.23Å; E144-R581 IonicContact OE2-NH1 2.75Å; E144-R581 PolarHBondContact OE2-NH1 2.89Å; E144-R581 IonicContact OE2-NH2 2.81Å; E144-Y600 PolarHBondContact OE1-OH 3.01Å
145	A	95.7	Very high	96.9	Very high	9 Å²	9	16.1 Å²	16.1	7%	0.074	9%	0.086	C	C	.	.	H	α-helix	trans	-69.1	-34.8	174.3	0	0	0	0	0	111.3	P142 P143 V147 L148 L149	P142-A145 HydrophobicContact CG-CB 3.77Å; P142-A145 PolarHBondContact O-N 3.01Å; P143-A145 PolarHBondContact O-N 3.32Å; A145-V147 PolarHBondContact O-N 3.48Å; A145-L148 PolarHBondContact O-N 3.31Å; A145-L149 VanDerWaalsContact O-CB 3.31Å; A145-L149 WeakPolarHBondContact O-CB 3.31Å; A145-L149 VanDerWaalsContact O-CG 3.24Å; A145-L149 WeakPolarHBondContact O-CG 3.33Å; A145-L149 PolarHBondContact O-N 3.45Å
146	S	97.6	Very high	96.8	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.014	8%	0.084	C	C	.	.	H	α-helix	trans	-62.9	-42	177.2	-55.5	0	0	0	0	111.6	C141 P142 P143 E144 A150	C141-S146 PolarHBondContact O-OG 2.94Å; C141-S146 PolarHBondContact SG-OG 3.21Å; P142-S146 WeakPolarHBondContact O-CB 3.36Å; P142-S146 PolarHBondContact O-N 2.99Å; P142-S146 PolarHBondContact O-OG 2.68Å; P143-S146 WeakPolarHBondContact O-CB 3.37Å; P143-S146 PolarHBondContact O-N 3.04Å; P143-S146 VanDerWaalsContact O-N 3.13Å; E144-S146 VanDerWaalsContact C-N 3.34Å; S146-A150 WeakPolarHBondContact O-CB 3.47Å; S146-A150 PolarHBondContact O-N 3.36Å
147	V	96.9	Very high	96.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.8	-44.6	174.9	174.2	0	0	0	0	111.5	P143 E144 A145 A150 S151 L177 W192 R195 I196 L580	P143-V147 PolarHBondContact O-N 3.46Å; E144-V147 PolarHBondContact O-N 3.43Å; A145-V147 PolarHBondContact O-N 3.48Å; V147-A150 WeakPolarHBondContact O-CB 3.36Å; V147-A150 PolarHBondContact O-N 2.96Å; V147-S151 PolarHBondContact O-N 3.28Å; V147-S151 VanDerWaalsContact O-N 3.09Å; V147-L177 HydrophobicContact CG2-CD2 4.37Å; V147-W192 HydrophobicContact CG2-CE3 3.86Å; V147-W192 HydrophobicContact CG2-CZ3 3.57Å; V147-R195 HydrophobicContact CG1-CB 3.88Å; V147-I196 HydrophobicContact CG1-CG1 4.16Å; V147-L580 HydrophobicContact CB-CD2 3.87Å; V147-L580 HydrophobicContact CG1-CD2 3.92Å; V147-L580 HydrophobicContact CG2-CD2 4.24Å
148	L	96.6	Very high	96.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.7	-48.5	177.1	176.6	64.1	0	0	0	111.4	E144 A145 A150 S151 Y152 W199 I218 L573 L577	E144-L148 PolarHBondContact O-N 3.4Å; A145-L148 PolarHBondContact O-N 3.31Å; L148-A150 VanDerWaalsContact C-N 3.3Å; L148-A150 PolarHBondContact O-N 2.94Å; L148-S151 WeakPolarHBondContact O-CB 3.32Å; L148-S151 PolarHBondContact O-N 2.93Å; L148-S151 VanDerWaalsContact O-N 3.07Å; L148-S151 PolarHBondContact O-OG 3.33Å; L148-Y152 HydrophobicContact CD1-CD2 4.33Å; L148-Y152 HydrophobicContact CD1-CE2 3.65Å; L148-Y152 HydrophobicContact CD2-CE2 4.44Å; L148-Y152 HydrophobicContact CG-CD2 4.27Å; L148-Y152 HydrophobicContact CG-CE2 3.81Å; L148-Y152 WeakPolarHBondContact O-CD2 3.32Å; L148-Y152 PolarHBondContact O-N 2.75Å; L148-W199 HydrophobicContact CD1-CD2 4.02Å; L148-W199 HydrophobicContact CD1-CE3 3.59Å; L148-W199 HydrophobicContact CD1-CH2 4.25Å; L148-W199 HydrophobicContact CD1-CZ3 3.73Å; L148-I218 HydrophobicContact CD2-CD1 3.6Å; L148-I218 HydrophobicContact CD2-CG1 4.49Å; L148-I218 HydrophobicContact CG-CD1 4.04Å; L148-L573 HydrophobicContact CD1-CD1 3.98Å; L148-L573 HydrophobicContact CD2-CD1 3.68Å; L148-L573 HydrophobicContact CD2-CD2 4.18Å; L148-L573 HydrophobicContact CD2-CG 4.2Å; L148-L577 HydrophobicContact CB-CD2 4.03Å; L148-L577 HydrophobicContact CD2-CD1 4.06Å; L148-L577 HydrophobicContact CD2-CD2 3.93Å; L148-L577 HydrophobicContact CD2-CG 4.29Å
149	L	98.3	Very high	96.2	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-60.6	-39.6	176.8	-74.4	179	0	0	0	111.7	I134 A145 S151 Y152 A153 Y215 I218	I134-L149 HydrophobicContact CD1-CD1 3.79Å; A145-L149 VanDerWaalsContact O-CB 3.31Å; A145-L149 WeakPolarHBondContact O-CB 3.31Å; A145-L149 VanDerWaalsContact O-CG 3.24Å; A145-L149 WeakPolarHBondContact O-CG 3.33Å; A145-L149 PolarHBondContact O-N 3.45Å; L149-S151 VanDerWaalsContact C-N 3.28Å; L149-S151 PolarHBondContact O-N 3.47Å; L149-Y152 PolarHBondContact O-N 3.35Å; L149-A153 PolarHBondContact O-N 3Å; L149-Y215 HydrophobicContact CB-CD2 4.02Å; L149-Y215 HydrophobicContact CB-CE2 3.55Å; L149-Y215 HydrophobicContact CD2-CD1 4.04Å; L149-Y215 HydrophobicContact CD2-CD2 3.79Å; L149-Y215 HydrophobicContact CD2-CE1 4.17Å; L149-Y215 HydrophobicContact CD2-CE2 3.96Å; L149-Y215 HydrophobicContact CD2-CG 3.82Å; L149-Y215 VanDerWaalsContact CD2-O 3.31Å; L149-Y215 WeakPolarHBondContact CD2-O 3.4Å; L149-Y215 HydrophobicContact CG-CD2 4.48Å; L149-Y215 HydrophobicContact CG-CE2 4.23Å; L149-Y215 VanDerWaalsContact O-CD2 3.23Å; L149-Y215 WeakPolarHBondContact O-CD2 3.46Å; L149-Y215 VanDerWaalsContact O-CE2 3.25Å; L149-Y215 WeakPolarHBondContact O-CE2 3.5Å; L149-I218 HydrophobicContact CD2-CB 3.87Å; L149-I218 HydrophobicContact CD2-CD1 4.48Å; L149-I218 HydrophobicContact CD2-CG2 3.88Å; L149-I218 HydrophobicContact CG-CG2 4.24Å
150	A	98.3	Very high	95.9	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-58.7	-40.1	173.3	0	0	0	0	0	111.8	S146 V147 L148 Y152 A153 V154 L176 L177 I196	S146-A150 WeakPolarHBondContact O-CB 3.47Å; S146-A150 PolarHBondContact O-N 3.36Å; V147-A150 WeakPolarHBondContact O-CB 3.36Å; V147-A150 PolarHBondContact O-N 2.96Å; L148-A150 VanDerWaalsContact C-N 3.3Å; L148-A150 PolarHBondContact O-N 2.94Å; A150-Y152 PolarHBondContact O-N 3.21Å; A150-A153 PolarHBondContact O-N 3.37Å; A150-V154 WeakPolarHBondContact O-CG2 3.48Å; A150-V154 PolarHBondContact O-N 2.95Å; A150-L176 HydrophobicContact CB-CB 4.03Å; A150-L177 HydrophobicContact CB-CD2 4.07Å; A150-I196 HydrophobicContact CB-CD1 3.89Å; A150-I196 HydrophobicContact CB-CG1 4.01Å; A150-I196 HydrophobicContact CB-CG2 4.34Å
151	S	97.1	Very high	95.4	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-39.5	177	83	0	0	0	0	113.2	V147 L148 L149 Q155 W199 N203	V147-S151 PolarHBondContact O-N 3.28Å; V147-S151 VanDerWaalsContact O-N 3.09Å; L148-S151 WeakPolarHBondContact O-CB 3.32Å; L148-S151 PolarHBondContact O-N 2.93Å; L148-S151 VanDerWaalsContact O-N 3.07Å; L148-S151 PolarHBondContact O-OG 3.33Å; L149-S151 VanDerWaalsContact C-N 3.28Å; L149-S151 PolarHBondContact O-N 3.47Å; S151-Q155 PolarHBondContact O-N 2.99Å; S151-W199 VanDerWaalsContact CB-CB 3.43Å; S151-N203 PolarHBondContact OG-ND2 3.24Å
152	Y	97.9	Very high	94.8	Very high	21 Å²	21	23.7 Å²	23.7	8%	0.082	14%	0.135	C	C	.	.	H	α-helix	trans	-70.4	-37.7	174.4	-70.9	-62.1	0	0	0	111.9	L148 L149 A150 V154 Q155 A156 N203 M206 E214 I218	L148-Y152 HydrophobicContact CD1-CD2 4.33Å; L148-Y152 HydrophobicContact CD1-CE2 3.65Å; L148-Y152 HydrophobicContact CD2-CE2 4.44Å; L148-Y152 HydrophobicContact CG-CD2 4.27Å; L148-Y152 HydrophobicContact CG-CE2 3.81Å; L148-Y152 WeakPolarHBondContact O-CD2 3.32Å; L148-Y152 PolarHBondContact O-N 2.75Å; L149-Y152 PolarHBondContact O-N 3.35Å; A150-Y152 PolarHBondContact O-N 3.21Å; Y152-V154 VanDerWaalsContact C-N 3.33Å; Y152-V154 PolarHBondContact O-N 3.03Å; Y152-Q155 PolarHBondContact O-N 3.46Å; Y152-A156 WeakPolarHBondContact O-CB 3.08Å; Y152-A156 PolarHBondContact O-N 3.35Å; Y152-N203 WeakPolarHBondContact CE1-OD1 3.34Å; Y152-M206 HydrophobicContact CD1-SD 3.93Å; Y152-M206 HydrophobicContact CE1-CE 3.98Å; Y152-M206 HydrophobicContact CE1-SD 3.8Å; Y152-E214 HydrophobicContact CD1-CB 3.93Å; Y152-E214 HydrophobicContact CE1-CB 3.72Å; Y152-E214 HydrophobicContact CE1-CG 4.23Å; Y152-E214 HydrophobicContact CE2-CB 4.38Å; Y152-E214 HydrophobicContact CG-CB 4.36Å; Y152-I218 HydrophobicContact CD2-CD1 3.9Å; Y152-I218 HydrophobicContact CE2-CD1 3.35Å
153	A	98.2	Very high	94	Very high	8 Å²	8	30.2 Å²	30.2	7%	0.066	17%	0.17	C	C	.	.	H	α-helix	trans	-63.6	-38.9	175.6	0	0	0	0	0	112	F127 K131 L149 A150 K157 L176 Y215	F127-A153 HydrophobicContact CE2-CB 4.32Å; F127-A153 HydrophobicContact CZ-CB 4.19Å; K131-A153 HydrophobicContact CD-CB 4.14Å; L149-A153 PolarHBondContact O-N 3Å; A150-A153 PolarHBondContact O-N 3.37Å; A153-K157 WeakPolarHBondContact O-CB 3.39Å; A153-K157 PolarHBondContact O-N 3.37Å; A153-L176 HydrophobicContact CB-CD2 4.3Å; A153-Y215 HydrophobicContact CB-CD2 4.3Å; A153-Y215 HydrophobicContact CB-CE2 4.12Å
154	V	96.5	Very high	93.1	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.024	20%	0.202	C	C	.	.	H	α-helix	trans	-68	-44.5	173.8	178.4	0	0	0	0	110.9	A150 Y152 A156 K157 C158 L171 L176 I196 W200	A150-V154 WeakPolarHBondContact O-CG2 3.48Å; A150-V154 PolarHBondContact O-N 2.95Å; Y152-V154 VanDerWaalsContact C-N 3.33Å; Y152-V154 PolarHBondContact O-N 3.03Å; V154-A156 VanDerWaalsContact C-N 3.31Å; V154-A156 PolarHBondContact O-N 3.43Å; V154-K157 PolarHBondContact O-N 2.98Å; V154-K157 VanDerWaalsContact O-N 3.16Å; V154-C158 HydrophobicContact CG1-CB 4.31Å; V154-C158 WeakPolarHBondContact O-CB 3.47Å; V154-C158 PolarHBondContact O-N 2.96Å; V154-L171 HydrophobicContact CG1-CD2 3.96Å; V154-L171 HydrophobicContact CG2-CD2 3.93Å; V154-L176 HydrophobicContact CG2-CD1 3.76Å; V154-L176 HydrophobicContact CG2-CD2 3.69Å; V154-L176 HydrophobicContact CG2-CG 4.41Å; V154-I196 HydrophobicContact CG2-CG2 4.23Å; V154-W200 HydrophobicContact CB-CD2 4.4Å; V154-W200 HydrophobicContact CG1-CD2 3.53Å; V154-W200 HydrophobicContact CG1-CE3 3.55Å; V154-W200 HydrophobicContact CG1-CG 4.21Å; V154-W200 HydrophobicContact CG1-CH2 3.88Å; V154-W200 HydrophobicContact CG1-CZ2 3.84Å; V154-W200 HydrophobicContact CG1-CZ3 3.72Å
155	Q	96.1	Very high	91.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	25%	0.245	C	C	.	.	H	α-helix	trans	-57.4	-43.6	174.4	-177.1	69.1	27.3	0	0	111.7	S151 Y152 K157 G159 D160 N203 M206 A211	S151-Q155 PolarHBondContact O-N 2.99Å; Y152-Q155 PolarHBondContact O-N 3.46Å; Q155-K157 VanDerWaalsContact C-N 3.34Å; Q155-K157 PolarHBondContact O-N 3.45Å; Q155-G159 VanDerWaalsContact O-CA 3.27Å; Q155-G159 WeakPolarHBondContact O-CA 3.43Å; Q155-G159 PolarHBondContact O-N 2.91Å; Q155-G159 PolarHBondContact OE1-O 2.94Å; Q155-G159 VanDerWaalsContact OE1-O 3.1Å; Q155-D160 PolarHBondContact NE2-OD1 3.27Å; Q155-N203 HydrophobicContact CB-CB 4.21Å; Q155-N203 HydrophobicContact CG-CB 3.96Å; Q155-N203 PolarHBondContact NE2-O 3.5Å; Q155-M206 HydrophobicContact CG-CB 4.17Å; Q155-M206 PolarHBondContact NE2-O 2.98Å; Q155-A211 HydrophobicContact CB-CB 3.98Å; Q155-A211 HydrophobicContact CG-CB 3.8Å
156	A	96.4	Very high	90.7	Very high	8 Å²	8	46.8 Å²	46.8	7%	0.066	25%	0.25	C	S	.	.	H	α-helix	trans	-65.3	-34.9	177.8	0	0	0	0	0	113.2	F127 Y152 V154 K208 A211 E212	F127-A156 HydrophobicContact CZ-CB 4.22Å; Y152-A156 WeakPolarHBondContact O-CB 3.08Å; Y152-A156 PolarHBondContact O-N 3.35Å; V154-A156 VanDerWaalsContact C-N 3.31Å; V154-A156 PolarHBondContact O-N 3.43Å; A156-K208 HydrophobicContact CB-CG 4.36Å; A156-K208 WeakPolarHBondContact O-CG 3.38Å; A156-A211 HydrophobicContact CB-CB 4.02Å; A156-E212 HydrophobicContact CB-CG 3.8Å
157	K	94.1	Very high	89.4	Confident	161 Å²	161	54.4 Å²	54.4	70%	0.7	29%	0.286	S	S	*	.	H	α-helix	trans	-82.7	-42.5	-178.5	-174.4	179.3	-179.7	-179.2	0	113	A153 V154 Q155	A153-K157 WeakPolarHBondContact O-CB 3.39Å; A153-K157 PolarHBondContact O-N 3.37Å; V154-K157 PolarHBondContact O-N 2.98Å; V154-K157 VanDerWaalsContact O-N 3.16Å; Q155-K157 VanDerWaalsContact C-N 3.34Å; Q155-K157 PolarHBondContact O-N 3.45Å
158	C	91	Very high	88	Confident	78 Å²	78	61.6 Å²	61.6	53%	0.527	32%	0.319	S	S	.	.	H	α-helix	trans	-111.5	-16.3	-166.3	-59.5	0	0	0	0	113.7	V154 W200	V154-C158 HydrophobicContact CG1-CB 4.31Å; V154-C158 WeakPolarHBondContact O-CB 3.47Å; V154-C158 PolarHBondContact O-N 2.96Å; C158-W200 HydrophobicContact CB-CH2 4.28Å; C158-W200 HydrophobicContact CB-CZ2 3.94Å
159	G	91.3	Very high	86.9	Confident	29 Å²	29	64.3 Å²	64.3	30%	0.299	35%	0.348	S	S	.	.			trans	77.8	-155.3	-170.1	0	0	0	0	0	112.3	Q155 W200	Q155-G159 VanDerWaalsContact O-CA 3.27Å; Q155-G159 WeakPolarHBondContact O-CA 3.43Å; Q155-G159 PolarHBondContact O-N 2.91Å; Q155-G159 PolarHBondContact OE1-O 2.94Å; Q155-G159 VanDerWaalsContact OE1-O 3.1Å; G159-W200 WeakPolarHBondContact O-CZ2 3.4Å; G159-W200 PolarHBondContact O-NE1 2.92Å
160	D	91.1	Very high	86	Confident	64 Å²	64	68.2 Å²	68.2	34%	0.342	37%	0.371	S	S	.	.	S	Bend	trans	-60.6	145.4	-177.3	-76.2	-2.9	0	0	0	112.7	Q155 S205	Q155-D160 PolarHBondContact NE2-OD1 3.27Å; D160-S205 WeakPolarHBondContact OD1-CA 3.48Å; D160-S205 PolarHBondContact OD1-N 2.92Å; D160-S205 PolarHBondContact OD2-N 3.39Å
161	F	88.2	Confident	85.6	Confident	40 Å²	40	68.8 Å²	68.8	18%	0.175	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-56.2	122.6	169.5	-172.1	-84.2	0	0	0	109.2	I166 K197 W200 M201	F161-I166 HydrophobicContact CD2-CD1 3.81Å; F161-I166 HydrophobicContact CE1-CD1 4.47Å; F161-I166 HydrophobicContact CE2-CD1 3.37Å; F161-I166 HydrophobicContact CE2-CG1 4.1Å; F161-I166 HydrophobicContact CZ-CD1 3.75Å; F161-I166 HydrophobicContact CZ-CG1 3.95Å; F161-K197 HydrophobicContact CE2-CB 4.03Å; F161-K197 HydrophobicContact CE2-CD 4.49Å; F161-K197 HydrophobicContact CE2-CG 4.03Å; F161-W200 HydrophobicContact CB-CD2 4.11Å; F161-W200 HydrophobicContact CB-CG 4.35Å; F161-W200 HydrophobicContact CB-CZ2 4.39Å; F161-W200 AromaticContact CD2-CD2 3.72Å; F161-W200 HydrophobicContact CD2-CD2 3.72Å; F161-W200 AromaticContact CD2-CE3 3.42Å; F161-W200 HydrophobicContact CD2-CE3 3.42Å; F161-W200 VanDerWaalsContact CD2-CE3 3.42Å; F161-W200 HydrophobicContact CD2-CG 4.28Å; F161-W200 HydrophobicContact CD2-CH2 4.32Å; F161-W200 AromaticContact CD2-CZ3 3.76Å; F161-W200 HydrophobicContact CD2-CZ3 3.76Å; F161-W200 HydrophobicContact CE2-CE3 4.03Å; F161-W200 HydrophobicContact CE2-CZ3 4.19Å; F161-W200 HydrophobicContact CG-CD2 4.41Å; F161-W200 HydrophobicContact CG-CE3 4.43Å; F161-M201 HydrophobicContact CB-CG 4.13Å; F161-M201 HydrophobicContact CD1-CG 3.79Å; F161-M201 HydrophobicContact CD1-SD 4.4Å; F161-M201 HydrophobicContact CD2-CG 3.85Å; F161-M201 HydrophobicContact CE1-CG 4.17Å; F161-M201 HydrophobicContact CE1-SD 4.27Å; F161-M201 HydrophobicContact CE2-CG 4.22Å; F161-M201 HydrophobicContact CG-CG 3.65Å; F161-M201 HydrophobicContact CZ-CG 4.38Å; F161-M201 HydrophobicContact CZ-SD 4.48Å
162	P	85.3	Confident	85.4	Confident	55 Å²	55	72.3 Å²	72.3	36%	0.357	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-62.2	143.2	-179	26.3	-35.6	0	0	0	111.1	N164 I166	P162-N164 PolarHBondContact O-N 2.8Å; P162-N164 VanDerWaalsContact O-N 3.14Å; P162-I166 HydrophobicContact CG-CD1 3.65Å; P162-I166 HydrophobicContact CG-CG1 3.42Å; P162-I166 VanDerWaalsContact CG-CG1 3.42Å
163	D	77.1	Confident	85.3	Confident	143 Å²	143	71.8 Å²	71.8	77%	0.765	39%	0.394	S	S	*	.	S	Bend	trans	-68.2	-12	178.1	-63	-40.7	0	0	0	112.6	K204	D163-K204 IonicContact OD1-NZ 3.99Å; D163-K204 PolarHBondContact OD1-NZ 2.9Å
164	N	77.4	Confident	85	Confident	133 Å²	133	77.2 Å²	77.2	71%	0.711	42%	0.418	S	S	*	.	S	Bend	trans	-92.2	151.1	173.6	-63.7	-21	0	0	0	110.9	P162 I166	P162-N164 PolarHBondContact O-N 2.8Å; P162-N164 VanDerWaalsContact O-N 3.14Å; N164-I166 PolarHBondContact O-N 2.69Å
165	E	68.9	Low	85	Confident	197 Å²	197	80.8 Å²	80.8	92%	0.921	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-56	125.1	173.1	-70.3	-175.2	173.3	0	0	110.9
166	I	70.8	Confident	85	Confident	34 Å²	34	81.9 Å²	81.9	17%	0.174	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-80.1	130	172.5	-52.2	-179.7	0	0	0	107.8	F161 P162 N164 V170 W200	F161-I166 HydrophobicContact CD2-CD1 3.81Å; F161-I166 HydrophobicContact CE1-CD1 4.47Å; F161-I166 HydrophobicContact CE2-CD1 3.37Å; F161-I166 HydrophobicContact CE2-CG1 4.1Å; F161-I166 HydrophobicContact CZ-CD1 3.75Å; F161-I166 HydrophobicContact CZ-CG1 3.95Å; P162-I166 HydrophobicContact CG-CD1 3.65Å; P162-I166 HydrophobicContact CG-CG1 3.42Å; P162-I166 VanDerWaalsContact CG-CG1 3.42Å; N164-I166 PolarHBondContact O-N 2.69Å; I166-V170 HydrophobicContact CG2-CB 3.66Å; I166-V170 HydrophobicContact CG2-CG1 3.89Å; I166-V170 HydrophobicContact CG2-CG2 3.63Å; I166-W200 HydrophobicContact CD1-CE3 4.23Å; I166-W200 HydrophobicContact CD1-CH2 3.63Å; I166-W200 HydrophobicContact CD1-CZ3 3.26Å
167	E	69.2	Low	85.1	Confident	162 Å²	162	81.6 Å²	81.6	76%	0.757	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-52.9	145.2	171.9	-66.4	-176.7	173.7	0	0	111.1	V170	E167-V170 HydrophobicContact CB-CG2 4.11Å; E167-V170 VanDerWaalsContact O-CG2 3.25Å; E167-V170 WeakPolarHBondContact O-CG2 3.42Å
168	Q	68.7	Low	85.3	Confident	151 Å²	151	74 Å²	74	71%	0.706	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	141.9	173.1	-69.1	179.9	-26.3	0	0	110
169	G	72.3	Confident	85.5	Confident	58 Å²	58	75 Å²	75	60%	0.598	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	8.5	177.9	0	0	0	0	0	115.3	L171 E193	G169-L171 VanDerWaalsContact C-N 3.29Å; G169-E193 WeakPolarHBondContact CA-OE1 3.44Å; G169-E193 PolarHBondContact N-OE1 2.96Å; G169-E193 VanDerWaalsContact N-OE1 3.15Å; G169-E193 PolarHBondContact N-OE2 2.91Å
170	V	80.6	Confident	85.7	Confident	83 Å²	83	74.6 Å²	74.6	50%	0.503	39%	0.394	S	S	.	.			trans	-71.9	-25.9	175.5	171.3	0	0	0	0	111.9	I166 E167	I166-V170 HydrophobicContact CG2-CB 3.66Å; I166-V170 HydrophobicContact CG2-CG1 3.89Å; I166-V170 HydrophobicContact CG2-CG2 3.63Å; E167-V170 HydrophobicContact CB-CG2 4.11Å; E167-V170 VanDerWaalsContact O-CG2 3.25Å; E167-V170 WeakPolarHBondContact O-CG2 3.42Å
171	L	89.7	Confident	85.9	Confident	14 Å²	14	71.6 Å²	71.6	7%	0.073	38%	0.377	C	S	.	.	S	Bend	trans	-93.3	117.5	179.9	-60.2	-177.7	0	0	0	110.1	V154 G169 L173 L176 E193 I196 K197 W200	V154-L171 HydrophobicContact CG1-CD2 3.96Å; V154-L171 HydrophobicContact CG2-CD2 3.93Å; G169-L171 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 3Å; L171-L173 VanDerWaalsContact O-N 3.12Å; L171-L176 HydrophobicContact CB-CD1 3.95Å; L171-L176 HydrophobicContact CD2-CD1 4.41Å; L171-E193 HydrophobicContact CB-CG 4.18Å; L171-E193 HydrophobicContact CD1-CG 4.44Å; L171-I196 HydrophobicContact CD1-CB 4.29Å; L171-I196 HydrophobicContact CD1-CG2 3.94Å; L171-K197 HydrophobicContact CD1-CG 4.21Å; L171-W200 HydrophobicContact CD2-CZ3 4.49Å
172	V	92.5	Very high	86.3	Confident	73 Å²	73	71 Å²	71	44%	0.442	38%	0.376	S	S	.	.			trans	-76.4	99.3	172.2	-176.3	0	0	0	0	108.4	E174 D175 L176	V172-E174 VanDerWaalsContact C-N 3.26Å; V172-E174 PolarHBondContact O-N 2.67Å; V172-D175 HydrophobicContact CB-CB 4.28Å; V172-D175 HydrophobicContact CG1-CB 4.23Å; V172-D175 WeakPolarHBondContact O-CB 3.48Å; V172-D175 PolarHBondContact O-N 3.41Å; V172-D175 VanDerWaalsContact O-N 3.12Å; V172-L176 WeakPolarHBondContact O-CG 3.35Å
173	L	94.9	Very high	86.7	Confident	10 Å²	10	71.6 Å²	71.6	5%	0.052	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-63.1	-32.3	-173.1	-67.4	-179.2	0	0	0	112.9	L171 D175 L176 L177 L182 P189 W192 E193 I196	L171-L173 PolarHBondContact O-N 3Å; L171-L173 VanDerWaalsContact O-N 3.12Å; L173-D175 PolarHBondContact O-N 3.34Å; L173-L176 PolarHBondContact O-N 3.22Å; L173-L177 PolarHBondContact O-N 3.07Å; L173-L182 HydrophobicContact CB-CD1 4.45Å; L173-L182 HydrophobicContact CB-CD2 4.33Å; L173-L182 HydrophobicContact CD1-CD2 4.31Å; L173-P189 HydrophobicContact CD1-CB 3.72Å; L173-W192 HydrophobicContact CD1-CB 3.97Å; L173-W192 HydrophobicContact CD2-CB 4.19Å; L173-E193 HydrophobicContact CD2-CG 4.01Å; L173-E193 HydrophobicContact CG-CG 4.45Å; L173-I196 HydrophobicContact CD2-CD1 3.86Å
174	E	93.7	Very high	87.4	Confident	123 Å²	123	64.8 Å²	64.8	58%	0.575	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-65.3	-23.7	177.9	-61.1	77.7	-170.6	0	0	112.5	V172 L176	V172-E174 VanDerWaalsContact C-N 3.26Å; V172-E174 PolarHBondContact O-N 2.67Å; E174-L176 VanDerWaalsContact C-N 3.34Å
175	D	95.2	Very high	88.2	Confident	78 Å²	78	59 Å²	59	42%	0.417	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-86	-7.6	174.9	-75	-13.2	0	0	0	113	K131 L135 V172 L173	K131-D175 PolarHBondContact NZ-O 3.06Å; L135-D175 VanDerWaalsContact CD1-O 3.29Å; L135-D175 WeakPolarHBondContact CD1-O 3.43Å; V172-D175 HydrophobicContact CB-CB 4.28Å; V172-D175 HydrophobicContact CG1-CB 4.23Å; V172-D175 WeakPolarHBondContact O-CB 3.48Å; V172-D175 PolarHBondContact O-N 3.41Å; V172-D175 VanDerWaalsContact O-N 3.12Å; L173-D175 PolarHBondContact O-N 3.34Å
176	L	97.2	Very high	89.4	Confident	25 Å²	25	56 Å²	56	13%	0.131	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-36.8	-168.4	-66.1	177.3	0	0	0	113.6	L135 A150 A153 V154 L171 V172 L173 E174 I196	L135-L176 VanDerWaalsContact CD2-C 3.49Å; A150-L176 HydrophobicContact CB-CB 4.03Å; A153-L176 HydrophobicContact CB-CD2 4.3Å; V154-L176 HydrophobicContact CG2-CD1 3.76Å; V154-L176 HydrophobicContact CG2-CD2 3.69Å; V154-L176 HydrophobicContact CG2-CG 4.41Å; L171-L176 HydrophobicContact CB-CD1 3.95Å; L171-L176 HydrophobicContact CD2-CD1 4.41Å; V172-L176 WeakPolarHBondContact O-CG 3.35Å; L173-L176 PolarHBondContact O-N 3.22Å; E174-L176 VanDerWaalsContact C-N 3.34Å; L176-I196 HydrophobicContact CD1-CD1 4.32Å
177	L	97.9	Very high	90.4	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	29%	0.291	C	S	.	.	S	Bend	trans	-123.8	139.2	-176.4	-64.3	178.1	0	0	0	111.2	V147 A150 L173 L182 W192 I196	V147-L177 HydrophobicContact CG2-CD2 4.37Å; A150-L177 HydrophobicContact CB-CD2 4.07Å; L173-L177 PolarHBondContact O-N 3.07Å; L177-L182 HydrophobicContact CB-CD2 4.13Å; L177-L182 HydrophobicContact CB-CG 4.22Å; L177-L182 HydrophobicContact CD1-CD2 3.82Å; L177-W192 HydrophobicContact CD1-CB 4.21Å; L177-W192 HydrophobicContact CD1-CD2 4.03Å; L177-W192 HydrophobicContact CD1-CE3 4.03Å; L177-W192 HydrophobicContact CD1-CG 4.14Å; L177-I196 HydrophobicContact CD1-CD1 4.11Å; L177-I196 HydrophobicContact CG-CD1 4.25Å
178	P	97.4	Very high	91.5	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	27%	0.273	C	S	.	.			trans	-60.8	142.1	172.8	-19.8	31	0	0	0	111.2	I134 M137 R180 V181 L182	I134-P178 HydrophobicContact CG2-CG 3.95Å; I134-P178 WeakPolarHBondContact O-CG 3.45Å; M137-P178 HydrophobicContact CG-CB 4.28Å; M137-P178 HydrophobicContact SD-CB 3.88Å; P178-R180 PolarHBondContact O-N 2.92Å; P178-R180 VanDerWaalsContact O-N 3.1Å; P178-V181 HydrophobicContact CB-CG2 4.31Å; P178-V181 HydrophobicContact CG-CG2 4.23Å; P178-V181 WeakPolarHBondContact O-CA 3.32Å; P178-V181 WeakPolarHBondContact O-CB 3.45Å; P178-V181 PolarHBondContact O-N 3.23Å; P178-L182 PolarHBondContact O-N 2.72Å
179	Q	95.8	Very high	92.6	Very high	100 Å²	100	47 Å²	47	47%	0.467	26%	0.262	S	S	.	.	H	α-helix	trans	-53.6	-37.7	-179.7	-171.7	61.9	36.7	0	0	112.8	V181 L182 D183	Q179-V181 PolarHBondContact O-N 3.05Å; Q179-L182 PolarHBondContact O-N 2.63Å; Q179-D183 WeakPolarHBondContact CG-OD2 3.47Å; Q179-D183 PolarHBondContact NE2-OD1 3.33Å; Q179-D183 PolarHBondContact NE2-OD2 3.39Å; Q179-D183 WeakPolarHBondContact O-CB 3.28Å; Q179-D183 PolarHBondContact O-N 3.32Å
180	R	95.7	Very high	93.5	Very high	21 Å²	21	48.2 Å²	48.2	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-53.3	-40	173.6	178.7	-167.5	54.9	83.8	11.6	112.4	M137 C141 P178 Q184 T594 D597	M137-R180 HydrophobicContact CE-CB 4.47Å; M137-R180 HydrophobicContact SD-CB 4.03Å; M137-R180 PolarHBondContact SD-NE 3.26Å; C141-R180 PolarHBondContact O-NH2 2.9Å; P178-R180 PolarHBondContact O-N 2.92Å; P178-R180 VanDerWaalsContact O-N 3.1Å; R180-Q184 VanDerWaalsContact O-CB 3.3Å; R180-Q184 WeakPolarHBondContact O-CB 3.4Å; R180-Q184 WeakPolarHBondContact O-CG 3.42Å; R180-Q184 PolarHBondContact O-N 2.9Å; R180-T594 HydrophobicContact CG-CG2 4.01Å; R180-D597 IonicContact CZ-OD1 3.71Å; R180-D597 IonicContact NH1-OD1 3.06Å; R180-D597 PolarHBondContact NH1-OD1 3.48Å; R180-D597 IonicContact NH1-OD2 3.74Å
181	V	96.2	Very high	94.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.8	-44.4	-179.7	178.6	0	0	0	0	111.2	P143 P178 Q179 D183 W192	P143-V181 HydrophobicContact CB-CG1 4.09Å; P178-V181 HydrophobicContact CB-CG2 4.31Å; P178-V181 HydrophobicContact CG-CG2 4.23Å; P178-V181 WeakPolarHBondContact O-CA 3.32Å; P178-V181 WeakPolarHBondContact O-CB 3.45Å; P178-V181 PolarHBondContact O-N 3.23Å; Q179-V181 PolarHBondContact O-N 3.05Å; V181-D183 VanDerWaalsContact C-N 3.3Å; V181-D183 PolarHBondContact O-N 2.93Å; V181-W192 HydrophobicContact CG1-CH2 3.72Å; V181-W192 HydrophobicContact CG1-CZ2 3.94Å; V181-W192 HydrophobicContact CG1-CZ3 4.28Å
182	L	95	Very high	94.3	Very high	27 Å²	27	47.1 Å²	47.1	14%	0.141	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-40	176.7	-61.9	175	0	0	0	111.4	L173 L177 P178 Q179 W192	L173-L182 HydrophobicContact CB-CD1 4.45Å; L173-L182 HydrophobicContact CB-CD2 4.33Å; L173-L182 HydrophobicContact CD1-CD2 4.31Å; L177-L182 HydrophobicContact CB-CD2 4.13Å; L177-L182 HydrophobicContact CB-CG 4.22Å; L177-L182 HydrophobicContact CD1-CD2 3.82Å; P178-L182 PolarHBondContact O-N 2.72Å; Q179-L182 PolarHBondContact O-N 2.63Å; L182-W192 HydrophobicContact CD2-CG 4.21Å
183	D	93.7	Very high	94.4	Very high	68 Å²	68	44 Å²	44	36%	0.364	22%	0.223	S	C	.	.	H	α-helix	trans	-77.9	-34.1	-176	-68.9	-17.1	0	0	0	113.2	Q179 V181 Y185 R592	Q179-D183 WeakPolarHBondContact CG-OD2 3.47Å; Q179-D183 PolarHBondContact NE2-OD1 3.33Å; Q179-D183 PolarHBondContact NE2-OD2 3.39Å; Q179-D183 WeakPolarHBondContact O-CB 3.28Å; Q179-D183 PolarHBondContact O-N 3.32Å; V181-D183 VanDerWaalsContact C-N 3.3Å; V181-D183 PolarHBondContact O-N 2.93Å; D183-Y185 VanDerWaalsContact C-N 3.32Å; D183-Y185 PolarHBondContact O-N 2.87Å; D183-R592 WeakPolarHBondContact O-CD 3.44Å; D183-R592 PolarHBondContact O-NH1 3.35Å
184	Q	93.6	Very high	94.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-80.2	-7.3	-168.7	77.7	-169.1	-40.4	0	0	115.3	P143 R180 V589 R592	P143-Q184 VanDerWaalsContact CG-NE2 3.25Å; R180-Q184 VanDerWaalsContact O-CB 3.3Å; R180-Q184 WeakPolarHBondContact O-CB 3.4Å; R180-Q184 WeakPolarHBondContact O-CG 3.42Å; R180-Q184 PolarHBondContact O-N 2.9Å; Q184-V589 PolarHBondContact O-N 3.14Å; Q184-R592 HydrophobicContact CB-CB 4.27Å
185	Y	93.9	Very high	94.2	Very high	10 Å²	10	45.6 Å²	45.6	4%	0.039	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-122.3	146.8	179.9	-66	-83.8	0	0	0	111.7	P143 D183 M187 W192 I584 L587 K588	P143-Y185 HydrophobicContact CB-CE2 3.65Å; P143-Y185 HydrophobicContact CG-CE2 3.59Å; P143-Y185 WeakPolarHBondContact CG-OH 3.35Å; D183-Y185 VanDerWaalsContact C-N 3.32Å; D183-Y185 PolarHBondContact O-N 2.87Å; Y185-M187 PolarHBondContact O-N 3.46Å; Y185-W192 AromaticContact CD2-CH2 3.9Å; Y185-W192 HydrophobicContact CD2-CH2 3.9Å; Y185-W192 AromaticContact CD2-CZ2 3.83Å; Y185-W192 HydrophobicContact CD2-CZ2 3.83Å; Y185-W192 HydrophobicContact CE2-CH2 4.47Å; Y185-W192 HydrophobicContact CG-CH2 4.4Å; Y185-W192 HydrophobicContact CG-CZ2 4.19Å; Y185-I584 HydrophobicContact CD1-CB 4.06Å; Y185-I584 HydrophobicContact CD1-CG1 4.36Å; Y185-I584 WeakPolarHBondContact CD1-O 3.47Å; Y185-I584 HydrophobicContact CE1-CB 3.9Å; Y185-I584 HydrophobicContact CE1-CD1 4.04Å; Y185-I584 HydrophobicContact CE1-CG1 3.72Å; Y185-I584 WeakPolarHBondContact CE1-O 3.5Å; Y185-I584 HydrophobicContact CE2-CD1 4.09Å; Y185-L587 CarbonylContact C-O 3.57Å; Y185-L587 WeakPolarHBondContact CA-O 3.49Å; Y185-L587 HydrophobicContact CD1-CB 4.38Å; Y185-K588 HydrophobicContact CD1-CB 3.96Å; Y185-K588 HydrophobicContact CD1-CG 4.3Å; Y185-K588 HydrophobicContact CE1-CB 3.69Å; Y185-K588 HydrophobicContact CE1-CD 4.24Å; Y185-K588 HydrophobicContact CE1-CG 3.84Å
186	Q	93.4	Very high	94.2	Very high	136 Å²	136	41.9 Å²	41.9	64%	0.636	21%	0.209	S	C	*	.			trans	-79.6	58.1	171.7	-62.1	177.1	52.1	0	0	110.5	L587 V589	Q186-L587 PolarHBondContact N-O 3.05Å; Q186-V589 HydrophobicContact CG-CG2 3.62Å
187	M	92.6	Very high	94	Very high	20 Å²	20	41.6 Å²	41.6	10%	0.099	21%	0.207	C	C	.	.			trans	-114.3	138.6	178	-72.2	-175.2	67.4	0	0	110	Y185 M191 W192 R195 I584 L587	Y185-M187 PolarHBondContact O-N 3.46Å; M187-M191 HydrophobicContact CB-CB 4.31Å; M187-M191 HydrophobicContact CB-CE 4.5Å; M187-M191 HydrophobicContact CB-SD 4.39Å; M187-M191 HydrophobicContact CE-CB 3.74Å; M187-M191 HydrophobicContact CE-CE 4.36Å; M187-M191 HydrophobicContact CG-CE 4Å; M187-W192 HydrophobicContact CB-CD2 4.38Å; M187-W192 HydrophobicContact CB-CG 4.49Å; M187-W192 HydrophobicContact CB-CZ2 4.18Å; M187-W192 HydrophobicContact CE-CD2 3.83Å; M187-W192 HydrophobicContact CE-CE3 3.8Å; M187-W192 HydrophobicContact CE-CG 4.34Å; M187-W192 HydrophobicContact CE-CH2 4.4Å; M187-W192 HydrophobicContact CE-CZ2 4.45Å; M187-W192 HydrophobicContact CE-CZ3 4.08Å; M187-W192 HydrophobicContact CG-CZ2 4.33Å; M187-W192 HydrophobicContact SD-CD2 4.05Å; M187-W192 HydrophobicContact SD-CE3 4.09Å; M187-W192 HydrophobicContact SD-CH2 3.59Å; M187-W192 VanDerWaalsContact SD-CH2 3.59Å; M187-W192 HydrophobicContact SD-CZ2 3.56Å; M187-W192 VanDerWaalsContact SD-CZ2 3.56Å; M187-W192 HydrophobicContact SD-CZ3 3.85Å; M187-R195 HydrophobicContact CE-CG 4.2Å; M187-I584 HydrophobicContact CE-CG2 4.44Å; M187-I584 HydrophobicContact SD-CB 4.32Å; M187-I584 HydrophobicContact SD-CG2 3.71Å; M187-L587 HydrophobicContact CG-CD1 3.64Å; M187-L587 HydrophobicContact SD-CD1 4.33Å
188	T	92.2	Very high	93.7	Very high	64 Å²	64	44.8 Å²	44.8	39%	0.393	23%	0.226	S	C	.	.			trans	-78.1	160.4	173	78.6	0	0	0	0	110.5	E190 M191 W192	T188-E190 WeakPolarHBondContact CB-OE2 3.41Å; T188-E190 PolarHBondContact O-N 3.04Å; T188-E190 PolarHBondContact OG1-N 2.94Å; T188-E190 PolarHBondContact OG1-OE2 2.99Å; T188-M191 HydrophobicContact CG2-SD 4.17Å; T188-M191 WeakPolarHBondContact O-CB 3.35Å; T188-M191 PolarHBondContact O-N 3.11Å; T188-M191 VanDerWaalsContact O-N 3.11Å; T188-M191 WeakPolarHBondContact OG1-CG 3.34Å; T188-M191 PolarHBondContact OG1-N 3.27Å; T188-W192 PolarHBondContact O-N 3.13Å
189	P	91.8	Very high	93.4	Very high	74 Å²	74	45.7 Å²	45.7	48%	0.481	23%	0.23	S	C	.	.	H	α-helix	trans	-51.1	-41.2	172.4	-29.1	37.7	0	0	0	112.9	L173 M191 W192 E193	L173-P189 HydrophobicContact CD1-CB 3.72Å; P189-M191 PolarHBondContact O-N 3.41Å; P189-W192 PolarHBondContact O-N 2.82Å; P189-E193 PolarHBondContact O-N 3.48Å
190	E	91.2	Very high	93.3	Very high	82 Å²	82	41.5 Å²	41.5	38%	0.383	21%	0.21	S	C	.	.	H	α-helix	trans	-63.7	-40.9	179.5	-55.5	73.3	-157.6	0	0	111.5	T188 W192 E193 D194	T188-E190 WeakPolarHBondContact CB-OE2 3.41Å; T188-E190 PolarHBondContact O-N 3.04Å; T188-E190 PolarHBondContact OG1-N 2.94Å; T188-E190 PolarHBondContact OG1-OE2 2.99Å; E190-W192 VanDerWaalsContact C-N 3.31Å; E190-W192 PolarHBondContact O-N 3.26Å; E190-E193 PolarHBondContact O-N 3.14Å; E190-D194 VanDerWaalsContact O-CG 3.31Å; E190-D194 PolarHBondContact O-N 3.07Å
191	M	92.8	Very high	93.2	Very high	72 Å²	72	44.9 Å²	44.9	36%	0.355	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-40.4	175.8	-65.8	173.8	69.2	0	0	111.6	M187 T188 P189 R195 L587	M187-M191 HydrophobicContact CB-CB 4.31Å; M187-M191 HydrophobicContact CB-CE 4.5Å; M187-M191 HydrophobicContact CB-SD 4.39Å; M187-M191 HydrophobicContact CE-CB 3.74Å; M187-M191 HydrophobicContact CE-CE 4.36Å; M187-M191 HydrophobicContact CG-CE 4Å; T188-M191 HydrophobicContact CG2-SD 4.17Å; T188-M191 WeakPolarHBondContact O-CB 3.35Å; T188-M191 PolarHBondContact O-N 3.11Å; T188-M191 VanDerWaalsContact O-N 3.11Å; T188-M191 WeakPolarHBondContact OG1-CG 3.34Å; T188-M191 PolarHBondContact OG1-N 3.27Å; P189-M191 PolarHBondContact O-N 3.41Å; M191-R195 WeakPolarHBondContact O-CG 3.27Å; M191-R195 PolarHBondContact O-N 3.38Å; M191-L587 HydrophobicContact CE-CD1 3.83Å
192	W	94.5	Very high	92.8	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.011	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-44.7	175.7	-76.1	120.4	0	0	0	112.2	V147 L173 L177 V181 L182 Y185 M187 T188 P189 E190 D194 R195 I196	V147-W192 HydrophobicContact CG2-CE3 3.86Å; V147-W192 HydrophobicContact CG2-CZ3 3.57Å; L173-W192 HydrophobicContact CD1-CB 3.97Å; L173-W192 HydrophobicContact CD2-CB 4.19Å; L177-W192 HydrophobicContact CD1-CB 4.21Å; L177-W192 HydrophobicContact CD1-CD2 4.03Å; L177-W192 HydrophobicContact CD1-CE3 4.03Å; L177-W192 HydrophobicContact CD1-CG 4.14Å; V181-W192 HydrophobicContact CG1-CH2 3.72Å; V181-W192 HydrophobicContact CG1-CZ2 3.94Å; V181-W192 HydrophobicContact CG1-CZ3 4.28Å; L182-W192 HydrophobicContact CD2-CG 4.21Å; Y185-W192 AromaticContact CD2-CH2 3.9Å; Y185-W192 HydrophobicContact CD2-CH2 3.9Å; Y185-W192 AromaticContact CD2-CZ2 3.83Å; Y185-W192 HydrophobicContact CD2-CZ2 3.83Å; Y185-W192 HydrophobicContact CE2-CH2 4.47Å; Y185-W192 HydrophobicContact CG-CH2 4.4Å; Y185-W192 HydrophobicContact CG-CZ2 4.19Å; M187-W192 HydrophobicContact CB-CD2 4.38Å; M187-W192 HydrophobicContact CB-CG 4.49Å; M187-W192 HydrophobicContact CB-CZ2 4.18Å; M187-W192 HydrophobicContact CE-CD2 3.83Å; M187-W192 HydrophobicContact CE-CE3 3.8Å; M187-W192 HydrophobicContact CE-CG 4.34Å; M187-W192 HydrophobicContact CE-CH2 4.4Å; M187-W192 HydrophobicContact CE-CZ2 4.45Å; M187-W192 HydrophobicContact CE-CZ3 4.08Å; M187-W192 HydrophobicContact CG-CZ2 4.33Å; M187-W192 HydrophobicContact SD-CD2 4.05Å; M187-W192 HydrophobicContact SD-CE3 4.09Å; M187-W192 HydrophobicContact SD-CH2 3.59Å; M187-W192 VanDerWaalsContact SD-CH2 3.59Å; M187-W192 HydrophobicContact SD-CZ2 3.56Å; M187-W192 VanDerWaalsContact SD-CZ2 3.56Å; M187-W192 HydrophobicContact SD-CZ3 3.85Å; T188-W192 PolarHBondContact O-N 3.13Å; P189-W192 PolarHBondContact O-N 2.82Å; E190-W192 VanDerWaalsContact C-N 3.31Å; E190-W192 PolarHBondContact O-N 3.26Å; W192-D194 VanDerWaalsContact C-N 3.3Å; W192-D194 PolarHBondContact O-N 3.48Å; W192-R195 PolarHBondContact O-N 3.07Å; W192-I196 WeakPolarHBondContact O-CG1 3.28Å; W192-I196 PolarHBondContact O-N 3.37Å
193	E	93.9	Very high	92.7	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-55.9	-46.1	175.1	-75.1	-163.3	175.8	0	0	111.5	G169 L171 L173 P189 E190 R195 I196 K197	G169-E193 WeakPolarHBondContact CA-OE1 3.44Å; G169-E193 PolarHBondContact N-OE1 2.96Å; G169-E193 VanDerWaalsContact N-OE1 3.15Å; G169-E193 PolarHBondContact N-OE2 2.91Å; L171-E193 HydrophobicContact CB-CG 4.18Å; L171-E193 HydrophobicContact CD1-CG 4.44Å; L173-E193 HydrophobicContact CD2-CG 4.01Å; L173-E193 HydrophobicContact CG-CG 4.45Å; P189-E193 PolarHBondContact O-N 3.48Å; E190-E193 PolarHBondContact O-N 3.14Å; E193-R195 VanDerWaalsContact C-N 3.3Å; E193-R195 PolarHBondContact O-N 3.02Å; E193-I196 PolarHBondContact O-N 3.4Å; E193-I196 VanDerWaalsContact O-N 3.16Å; E193-K197 WeakPolarHBondContact O-CB 3.42Å; E193-K197 VanDerWaalsContact O-CG 3.23Å; E193-K197 WeakPolarHBondContact O-CG 3.36Å; E193-K197 PolarHBondContact O-N 3.47Å; E193-K197 IonicContact OE2-NZ 2.98Å; E193-K197 PolarHBondContact OE2-NZ 3.23Å
194	D	92.2	Very high	92.4	Very high	84 Å²	84	51 Å²	51	45%	0.449	26%	0.255	S	S	.	.	H	α-helix	trans	-62.2	-37.6	-178.9	-73.7	-13.1	0	0	0	112	E190 W192 T198	E190-D194 VanDerWaalsContact O-CG 3.31Å; E190-D194 PolarHBondContact O-N 3.07Å; W192-D194 VanDerWaalsContact C-N 3.3Å; W192-D194 PolarHBondContact O-N 3.48Å; D194-T198 WeakPolarHBondContact O-CB 3.32Å; D194-T198 PolarHBondContact O-N 3.22Å; D194-T198 PolarHBondContact O-OG1 3.09Å
195	R	92.8	Very high	92.1	Very high	82 Å²	82	54.6 Å²	54.6	31%	0.309	28%	0.28	S	S	.	.	H	α-helix	trans	-65	-46.3	173.3	-61	-46.4	-178.8	155.5	10	111.6	V147 M187 M191 W192 E193 K197 T198 W199 L580 E583	V147-R195 HydrophobicContact CG1-CB 3.88Å; M187-R195 HydrophobicContact CE-CG 4.2Å; M191-R195 WeakPolarHBondContact O-CG 3.27Å; M191-R195 PolarHBondContact O-N 3.38Å; W192-R195 PolarHBondContact O-N 3.07Å; E193-R195 VanDerWaalsContact C-N 3.3Å; E193-R195 PolarHBondContact O-N 3.02Å; R195-K197 PolarHBondContact O-N 3.15Å; R195-T198 PolarHBondContact O-N 3.46Å; R195-W199 VanDerWaalsContact O-CD1 3.26Å; R195-W199 PolarHBondContact O-N 3.46Å; R195-L580 HydrophobicContact CG-CD1 4.25Å; R195-E583 IonicContact CZ-OE2 2.85Å; R195-E583 IonicContact NH1-OE2 2.97Å; R195-E583 PolarHBondContact NH1-OE2 2.84Å; R195-E583 IonicContact NH2-OE2 2.67Å; R195-E583 PolarHBondContact NH2-OE2 3.41Å
196	I	94.9	Very high	91.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-44.5	177.8	-65	168.5	0	0	0	110.6	V147 A150 V154 L171 L173 L176 L177 W192 E193 T198 W199 W200	V147-I196 HydrophobicContact CG1-CG1 4.16Å; A150-I196 HydrophobicContact CB-CD1 3.89Å; A150-I196 HydrophobicContact CB-CG1 4.01Å; A150-I196 HydrophobicContact CB-CG2 4.34Å; V154-I196 HydrophobicContact CG2-CG2 4.23Å; L171-I196 HydrophobicContact CD1-CB 4.29Å; L171-I196 HydrophobicContact CD1-CG2 3.94Å; L173-I196 HydrophobicContact CD2-CD1 3.86Å; L176-I196 HydrophobicContact CD1-CD1 4.32Å; L177-I196 HydrophobicContact CD1-CD1 4.11Å; L177-I196 HydrophobicContact CG-CD1 4.25Å; W192-I196 WeakPolarHBondContact O-CG1 3.28Å; W192-I196 PolarHBondContact O-N 3.37Å; E193-I196 PolarHBondContact O-N 3.4Å; E193-I196 VanDerWaalsContact O-N 3.16Å; I196-T198 PolarHBondContact O-N 3Å; I196-W199 PolarHBondContact O-N 3.15Å; I196-W200 WeakPolarHBondContact O-CB 3.47Å; I196-W200 PolarHBondContact O-N 3.38Å
197	K	92.8	Very high	91.8	Very high	18 Å²	18	50.8 Å²	50.8	8%	0.078	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-42.5	178	-71.9	171.4	-171.9	163.3	0	111.6	F161 L171 E193 R195 W199 W200 M201	F161-K197 HydrophobicContact CE2-CB 4.03Å; F161-K197 HydrophobicContact CE2-CD 4.49Å; F161-K197 HydrophobicContact CE2-CG 4.03Å; L171-K197 HydrophobicContact CD1-CG 4.21Å; E193-K197 WeakPolarHBondContact O-CB 3.42Å; E193-K197 VanDerWaalsContact O-CG 3.23Å; E193-K197 WeakPolarHBondContact O-CG 3.36Å; E193-K197 PolarHBondContact O-N 3.47Å; E193-K197 IonicContact OE2-NZ 2.98Å; E193-K197 PolarHBondContact OE2-NZ 3.23Å; R195-K197 PolarHBondContact O-N 3.15Å; K197-W199 VanDerWaalsContact C-N 3.3Å; K197-W199 PolarHBondContact O-N 2.91Å; K197-W200 PolarHBondContact O-N 3.3Å; K197-M201 WeakPolarHBondContact O-CG 3.48Å; K197-M201 PolarHBondContact O-N 2.98Å
198	T	90.8	Very high	91.9	Very high	69 Å²	69	54.2 Å²	54.2	42%	0.423	28%	0.279	S	S	.	.	H	α-helix	trans	-56.4	-45.4	176.7	-59	0	0	0	0	111.7	D194 R195 I196	D194-T198 WeakPolarHBondContact O-CB 3.32Å; D194-T198 PolarHBondContact O-N 3.22Å; D194-T198 PolarHBondContact O-OG1 3.09Å; R195-T198 PolarHBondContact O-N 3.46Å; I196-T198 PolarHBondContact O-N 3Å
199	W	91.9	Very high	92	Very high	21 Å²	21	54 Å²	54	8%	0.08	27%	0.273	C	S	.	.	H	α-helix	trans	-72.4	-37.7	176.1	-76.5	105	0	0	0	113.1	L148 S151 R195 I196 K197 M201 N202 L573 Q576	L148-W199 HydrophobicContact CD1-CD2 4.02Å; L148-W199 HydrophobicContact CD1-CE3 3.59Å; L148-W199 HydrophobicContact CD1-CH2 4.25Å; L148-W199 HydrophobicContact CD1-CZ3 3.73Å; S151-W199 VanDerWaalsContact CB-CB 3.43Å; R195-W199 VanDerWaalsContact O-CD1 3.26Å; R195-W199 PolarHBondContact O-N 3.46Å; I196-W199 PolarHBondContact O-N 3.15Å; K197-W199 VanDerWaalsContact C-N 3.3Å; K197-W199 PolarHBondContact O-N 2.91Å; W199-M201 VanDerWaalsContact C-N 3.33Å; W199-M201 PolarHBondContact O-N 3.4Å; W199-N202 WeakPolarHBondContact O-CB 3.41Å; W199-N202 PolarHBondContact O-N 3.17Å; W199-L573 HydrophobicContact CH2-CD1 3.91Å; W199-L573 HydrophobicContact CZ3-CD1 3.77Å; W199-Q576 HydrophobicContact CH2-CB 3.24Å; W199-Q576 HydrophobicContact CH2-CG 4.03Å; W199-Q576 VanDerWaalsContact CH2-OE1 3.24Å; W199-Q576 HydrophobicContact CZ2-CB 3.58Å; W199-Q576 HydrophobicContact CZ3-CB 4.28Å
200	W	93.8	Very high	92.1	Very high	11 Å²	11	53.9 Å²	53.9	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-39.4	178.4	-179.2	20.6	0	0	0	112	V154 C158 G159 F161 I166 L171 I196 K197 N202 N203	V154-W200 HydrophobicContact CB-CD2 4.4Å; V154-W200 HydrophobicContact CG1-CD2 3.53Å; V154-W200 HydrophobicContact CG1-CE3 3.55Å; V154-W200 HydrophobicContact CG1-CG 4.21Å; V154-W200 HydrophobicContact CG1-CH2 3.88Å; V154-W200 HydrophobicContact CG1-CZ2 3.84Å; V154-W200 HydrophobicContact CG1-CZ3 3.72Å; C158-W200 HydrophobicContact CB-CH2 4.28Å; C158-W200 HydrophobicContact CB-CZ2 3.94Å; G159-W200 WeakPolarHBondContact O-CZ2 3.4Å; G159-W200 PolarHBondContact O-NE1 2.92Å; F161-W200 HydrophobicContact CB-CD2 4.11Å; F161-W200 HydrophobicContact CB-CG 4.35Å; F161-W200 HydrophobicContact CB-CZ2 4.39Å; F161-W200 AromaticContact CD2-CD2 3.72Å; F161-W200 HydrophobicContact CD2-CD2 3.72Å; F161-W200 AromaticContact CD2-CE3 3.42Å; F161-W200 HydrophobicContact CD2-CE3 3.42Å; F161-W200 VanDerWaalsContact CD2-CE3 3.42Å; F161-W200 HydrophobicContact CD2-CG 4.28Å; F161-W200 HydrophobicContact CD2-CH2 4.32Å; F161-W200 AromaticContact CD2-CZ3 3.76Å; F161-W200 HydrophobicContact CD2-CZ3 3.76Å; F161-W200 HydrophobicContact CE2-CE3 4.03Å; F161-W200 HydrophobicContact CE2-CZ3 4.19Å; F161-W200 HydrophobicContact CG-CD2 4.41Å; F161-W200 HydrophobicContact CG-CE3 4.43Å; I166-W200 HydrophobicContact CD1-CE3 4.23Å; I166-W200 HydrophobicContact CD1-CH2 3.63Å; I166-W200 HydrophobicContact CD1-CZ3 3.26Å; L171-W200 HydrophobicContact CD2-CZ3 4.49Å; I196-W200 WeakPolarHBondContact O-CB 3.47Å; I196-W200 PolarHBondContact O-N 3.38Å; K197-W200 PolarHBondContact O-N 3.3Å; W200-N202 PolarHBondContact O-N 3.36Å; W200-N203 WeakPolarHBondContact O-CB 3.39Å; W200-N203 PolarHBondContact O-N 3Å
201	M	92.2	Very high	92.4	Very high	93 Å²	93	50 Å²	50	46%	0.458	25%	0.249	S	C	.	.	H	α-helix	trans	-57.5	-31.1	173.5	-73.1	-174.2	-71.6	0	0	113.1	F161 K197 W199 N203	F161-M201 HydrophobicContact CB-CG 4.13Å; F161-M201 HydrophobicContact CD1-CG 3.79Å; F161-M201 HydrophobicContact CD1-SD 4.4Å; F161-M201 HydrophobicContact CD2-CG 3.85Å; F161-M201 HydrophobicContact CE1-CG 4.17Å; F161-M201 HydrophobicContact CE1-SD 4.27Å; F161-M201 HydrophobicContact CE2-CG 4.22Å; F161-M201 HydrophobicContact CG-CG 3.65Å; F161-M201 HydrophobicContact CZ-CG 4.38Å; F161-M201 HydrophobicContact CZ-SD 4.48Å; K197-M201 WeakPolarHBondContact O-CG 3.48Å; K197-M201 PolarHBondContact O-N 2.98Å; W199-M201 VanDerWaalsContact C-N 3.33Å; W199-M201 PolarHBondContact O-N 3.4Å; M201-N203 VanDerWaalsContact C-N 3.25Å; M201-N203 PolarHBondContact O-N 3.34Å
202	N	89.8	Confident	92.6	Very high	101 Å²	101	46.7 Å²	46.7	54%	0.54	23%	0.232	S	C	.	.	H	α-helix	trans	-74.9	-14.5	177.7	-63.6	-26.7	0	0	0	113.1	W199 W200 K204	W199-N202 WeakPolarHBondContact O-CB 3.41Å; W199-N202 PolarHBondContact O-N 3.17Å; W200-N202 PolarHBondContact O-N 3.36Å; N202-K204 VanDerWaalsContact C-N 3.33Å
203	N	90.9	Very high	92.7	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.043	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	11.2	-179.3	-60.3	-28.4	0	0	0	113	S151 Y152 Q155 W200 M201 S205 M206	S151-N203 PolarHBondContact OG-ND2 3.24Å; Y152-N203 WeakPolarHBondContact CE1-OD1 3.34Å; Q155-N203 HydrophobicContact CB-CB 4.21Å; Q155-N203 HydrophobicContact CG-CB 3.96Å; Q155-N203 PolarHBondContact NE2-O 3.5Å; W200-N203 WeakPolarHBondContact O-CB 3.39Å; W200-N203 PolarHBondContact O-N 3Å; M201-N203 VanDerWaalsContact C-N 3.25Å; M201-N203 PolarHBondContact O-N 3.34Å; N203-S205 PolarHBondContact O-N 3.03Å; N203-M206 WeakPolarHBondContact O-CB 3.43Å; N203-M206 PolarHBondContact O-N 3.5Å; N203-M206 VanDerWaalsContact O-N 3.08Å
204	K	88.9	Confident	92.8	Very high	115 Å²	115	49.5 Å²	49.5	50%	0.5	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	136.2	-179.3	-171.1	166.9	-173.9	157.7	0	111.7	D163 N202 M206	D163-K204 IonicContact OD1-NZ 3.99Å; D163-K204 PolarHBondContact OD1-NZ 2.9Å; N202-K204 VanDerWaalsContact C-N 3.33Å; K204-M206 PolarHBondContact O-N 3.47Å
205	S	87.1	Confident	93.1	Very high	75 Å²	75	45.8 Å²	45.8	52%	0.524	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	4.8	-176.8	-51.6	0	0	0	0	116.2	D160 N203	D160-S205 WeakPolarHBondContact OD1-CA 3.48Å; D160-S205 PolarHBondContact OD1-N 2.92Å; D160-S205 PolarHBondContact OD2-N 3.39Å; N203-S205 PolarHBondContact O-N 3.03Å
206	M	89.9	Confident	93.3	Very high	44 Å²	44	41.9 Å²	41.9	22%	0.217	21%	0.211	C	C	.	.			trans	-75.5	130.8	173	-171.8	173.9	-69.6	0	0	110.4	Y152 Q155 N203 K204 E210 A211 E214	Y152-M206 HydrophobicContact CD1-SD 3.93Å; Y152-M206 HydrophobicContact CE1-CE 3.98Å; Y152-M206 HydrophobicContact CE1-SD 3.8Å; Q155-M206 HydrophobicContact CG-CB 4.17Å; Q155-M206 PolarHBondContact NE2-O 2.98Å; N203-M206 WeakPolarHBondContact O-CB 3.43Å; N203-M206 PolarHBondContact O-N 3.5Å; N203-M206 VanDerWaalsContact O-N 3.08Å; K204-M206 PolarHBondContact O-N 3.47Å; M206-E210 HydrophobicContact CG-CB 3.46Å; M206-E210 VanDerWaalsContact CG-CB 3.46Å; M206-E210 HydrophobicContact SD-CB 4.33Å; M206-A211 HydrophobicContact CG-CB 4.19Å; M206-A211 VanDerWaalsContact SD-CA 3.56Å; M206-A211 HydrophobicContact SD-CB 3.92Å; M206-E214 HydrophobicContact CE-CG 4.17Å; M206-E214 HydrophobicContact SD-CG 4.18Å
207	T	91.5	Very high	93.4	Very high	23 Å²	23	46 Å²	46	14%	0.141	23%	0.226	C	C	.	.			trans	-70.8	165	177.3	85.5	0	0	0	0	111.7	E209 E210 A211 N345	T207-E209 VanDerWaalsContact C-N 3.28Å; T207-E209 PolarHBondContact O-N 3.33Å; T207-E209 PolarHBondContact OG1-N 2.93Å; T207-E209 PolarHBondContact OG1-OE2 3.31Å; T207-E210 HydrophobicContact CG2-CG 4.44Å; T207-E210 PolarHBondContact N-OE2 2.69Å; T207-E210 PolarHBondContact O-N 3.39Å; T207-E210 PolarHBondContact OG1-N 3.38Å; T207-E210 VanDerWaalsContact OG1-N 3.12Å; T207-A211 WeakPolarHBondContact O-CB 3.24Å; T207-A211 PolarHBondContact O-N 3.29Å; T207-N345 WeakPolarHBondContact CG2-ND2 3.29Å
208	K	94.4	Very high	93.5	Very high	92 Å²	92	46.4 Å²	46.4	40%	0.4	23%	0.229	S	C	.	.	H	α-helix	trans	-53.3	-48.4	171.1	173.4	177	174.4	-172.5	0	111.2	H124 A156 E210 A211 E212	H124-K208 PolarHBondContact CE1-NZ 3.45Å; A156-K208 HydrophobicContact CB-CG 4.36Å; A156-K208 WeakPolarHBondContact O-CG 3.38Å; K208-E210 VanDerWaalsContact C-N 3.35Å; K208-E210 PolarHBondContact O-N 2.96Å; K208-A211 PolarHBondContact O-N 3.4Å; K208-E212 WeakPolarHBondContact CE-OE1 3.41Å; K208-E212 HydrophobicContact CG-CG 4.49Å; K208-E212 IonicContact NZ-OE1 2.92Å; K208-E212 VanDerWaalsContact O-CG 3.3Å; K208-E212 WeakPolarHBondContact O-CG 3.49Å; K208-E212 PolarHBondContact O-N 2.84Å
209	E	94.3	Very high	93.8	Very high	58 Å²	58	43.1 Å²	43.1	27%	0.271	21%	0.209	S	C	.	.	H	α-helix	trans	-66.7	-35.9	-178.8	-58	73	-158.1	0	0	111.9	D120 Q123 T207 L213	D120-E209 HydrophobicContact CB-CG 4.14Å; Q123-E209 PolarHBondContact NE2-O 2.97Å; T207-E209 VanDerWaalsContact C-N 3.28Å; T207-E209 PolarHBondContact O-N 3.33Å; T207-E209 PolarHBondContact OG1-N 2.93Å; T207-E209 PolarHBondContact OG1-OE2 3.31Å; E209-L213 WeakPolarHBondContact O-CB 3.33Å; E209-L213 PolarHBondContact O-N 3.49Å
210	E	93.2	Very high	94.1	Very high	73 Å²	73	43 Å²	43	34%	0.341	21%	0.209	S	C	.	.	H	α-helix	trans	-67.5	-44	174.6	-70	173.1	155.9	0	0	111.2	M206 T207 K208 E212 L213 E214	M206-E210 HydrophobicContact CG-CB 3.46Å; M206-E210 VanDerWaalsContact CG-CB 3.46Å; M206-E210 HydrophobicContact SD-CB 4.33Å; T207-E210 HydrophobicContact CG2-CG 4.44Å; T207-E210 PolarHBondContact N-OE2 2.69Å; T207-E210 PolarHBondContact O-N 3.39Å; T207-E210 PolarHBondContact OG1-N 3.38Å; T207-E210 VanDerWaalsContact OG1-N 3.12Å; K208-E210 VanDerWaalsContact C-N 3.35Å; K208-E210 PolarHBondContact O-N 2.96Å; E210-E212 PolarHBondContact O-N 3.24Å; E210-L213 PolarHBondContact O-N 2.95Å; E210-E214 WeakPolarHBondContact O-CG 3.37Å; E210-E214 PolarHBondContact O-N 3.19Å
211	A	96.8	Very high	94.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-41.6	178.2	0	0	0	0	0	112.4	Q155 A156 M206 T207 K208 L213 E214 Y215	Q155-A211 HydrophobicContact CB-CB 3.98Å; Q155-A211 HydrophobicContact CG-CB 3.8Å; A156-A211 HydrophobicContact CB-CB 4.02Å; M206-A211 HydrophobicContact CG-CB 4.19Å; M206-A211 VanDerWaalsContact SD-CA 3.56Å; M206-A211 HydrophobicContact SD-CB 3.92Å; T207-A211 WeakPolarHBondContact O-CB 3.24Å; T207-A211 PolarHBondContact O-N 3.29Å; K208-A211 PolarHBondContact O-N 3.4Å; A211-L213 VanDerWaalsContact C-N 3.35Å; A211-E214 PolarHBondContact O-N 3.27Å; A211-Y215 WeakPolarHBondContact O-CB 3.38Å; A211-Y215 PolarHBondContact O-N 3.08Å
212	E	98.2	Very high	94.3	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.014	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-38.1	174.4	-71.1	179.6	177.7	0	0	112.4	H124 F127 A156 K208 E210 Y215 L216	H124-E212 WeakPolarHBondContact CA-OE2 3.34Å; H124-E212 IonicContact CE1-OE1 3.61Å; H124-E212 PolarHBondContact CE1-OE1 2.75Å; H124-E212 VanDerWaalsContact CE1-OE1 3.32Å; H124-E212 IonicContact CG-OE1 3.57Å; H124-E212 IonicContact CG-OE2 2.74Å; H124-E212 VanDerWaalsContact ND1-CD 3.33Å; H124-E212 IonicContact ND1-OE1 3.04Å; H124-E212 PolarHBondContact ND1-OE1 3.03Å; H124-E212 IonicContact ND1-OE2 2.67Å; H124-E212 PolarHBondContact ND1-OE2 2.88Å; F127-E212 HydrophobicContact CB-CB 4.06Å; F127-E212 HydrophobicContact CB-CG 4.14Å; F127-E212 HydrophobicContact CD1-CB 4.45Å; F127-E212 HydrophobicContact CD1-CG 3.63Å; F127-E212 HydrophobicContact CD2-CB 4.32Å; F127-E212 HydrophobicContact CD2-CG 4.11Å; F127-E212 HydrophobicContact CE1-CG 4.01Å; F127-E212 HydrophobicContact CE2-CG 4.46Å; F127-E212 HydrophobicContact CG-CB 4.02Å; F127-E212 HydrophobicContact CG-CG 3.68Å; F127-E212 HydrophobicContact CZ-CG 4.41Å; A156-E212 HydrophobicContact CB-CG 3.8Å; K208-E212 WeakPolarHBondContact CE-OE1 3.41Å; K208-E212 HydrophobicContact CG-CG 4.49Å; K208-E212 IonicContact NZ-OE1 2.92Å; K208-E212 VanDerWaalsContact O-CG 3.3Å; K208-E212 WeakPolarHBondContact O-CG 3.49Å; K208-E212 PolarHBondContact O-N 2.84Å; E210-E212 PolarHBondContact O-N 3.24Å; E212-Y215 WeakPolarHBondContact O-CB 3.35Å; E212-L216 WeakPolarHBondContact O-CG 3.41Å; E212-L216 PolarHBondContact O-N 3.43Å; E212-L216 VanDerWaalsContact O-N 3.13Å
213	L	96.2	Very high	94.6	Very high	17 Å²	17	39.2 Å²	39.2	9%	0.089	19%	0.192	C	C	.	.	H	α-helix	trans	-69	-44.3	176.8	-175.8	58.5	0	0	0	111.5	V113 E209 E210 A211 Y215 L216 R217	V113-L213 HydrophobicContact CG2-CD1 4.39Å; E209-L213 WeakPolarHBondContact O-CB 3.33Å; E209-L213 PolarHBondContact O-N 3.49Å; E210-L213 PolarHBondContact O-N 2.95Å; A211-L213 VanDerWaalsContact C-N 3.35Å; L213-Y215 VanDerWaalsContact C-N 3.33Å; L213-Y215 PolarHBondContact O-N 3.27Å; L213-L216 PolarHBondContact O-N 3.3Å; L213-R217 HydrophobicContact CG-CG 4.48Å; L213-R217 WeakPolarHBondContact O-CB 3.23Å; L213-R217 VanDerWaalsContact O-CG 3.31Å; L213-R217 WeakPolarHBondContact O-CG 3.42Å; L213-R217 PolarHBondContact O-N 3.39Å
214	E	95.8	Very high	94.9	Very high	52 Å²	52	39.2 Å²	39.2	24%	0.243	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-40.5	175.7	-70.8	-52.8	139.7	0	0	111.8	Y152 M206 E210 A211 L216 R217 I218	Y152-E214 HydrophobicContact CD1-CB 3.93Å; Y152-E214 HydrophobicContact CE1-CB 3.72Å; Y152-E214 HydrophobicContact CE1-CG 4.23Å; Y152-E214 HydrophobicContact CE2-CB 4.38Å; Y152-E214 HydrophobicContact CG-CB 4.36Å; M206-E214 HydrophobicContact CE-CG 4.17Å; M206-E214 HydrophobicContact SD-CG 4.18Å; E210-E214 WeakPolarHBondContact O-CG 3.37Å; E210-E214 PolarHBondContact O-N 3.19Å; A211-E214 PolarHBondContact O-N 3.27Å; E214-L216 VanDerWaalsContact C-N 3.32Å; E214-L216 PolarHBondContact O-N 3.47Å; E214-R217 PolarHBondContact O-N 2.94Å; E214-R217 IonicContact OE1-CZ 3.94Å; E214-R217 IonicContact OE1-NH1 3.44Å; E214-R217 PolarHBondContact OE1-NH1 3.41Å; E214-I218 PolarHBondContact O-N 2.93Å; E214-I218 VanDerWaalsContact O-N 3.12Å
215	Y	98.4	Very high	95.4	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.027	17%	0.17	C	C	.	.	H	α-helix	trans	-53.9	-50.7	171.5	-172.7	-73.4	0	0	0	111	F127 V130 K131 I134 L149 A153 A211 E212 L213 I218 A219	F127-Y215 AromaticContact CD2-CD1 3.79Å; F127-Y215 HydrophobicContact CD2-CD1 3.79Å; F127-Y215 HydrophobicContact CD2-CD2 4.15Å; F127-Y215 HydrophobicContact CD2-CE1 4.4Å; F127-Y215 AromaticContact CD2-CG 3.68Å; F127-Y215 HydrophobicContact CD2-CG 3.68Å; F127-Y215 HydrophobicContact CE2-CD1 4.14Å; F127-Y215 AromaticContact CE2-CD2 3.67Å; F127-Y215 HydrophobicContact CE2-CD2 3.67Å; F127-Y215 HydrophobicContact CE2-CE2 4.12Å; F127-Y215 AromaticContact CE2-CG 3.7Å; F127-Y215 HydrophobicContact CE2-CG 3.7Å; V130-Y215 HydrophobicContact CG1-CE1 4.23Å; K131-Y215 WeakPolarHBondContact CA-OH 3.34Å; K131-Y215 HydrophobicContact CB-CE1 4.26Å; K131-Y215 HydrophobicContact CG-CE2 4.42Å; I134-Y215 HydrophobicContact CD1-CE1 4.16Å; I134-Y215 WeakPolarHBondContact CD1-OH 3.32Å; L149-Y215 HydrophobicContact CB-CD2 4.02Å; L149-Y215 HydrophobicContact CB-CE2 3.55Å; L149-Y215 HydrophobicContact CD2-CD1 4.04Å; L149-Y215 HydrophobicContact CD2-CD2 3.79Å; L149-Y215 HydrophobicContact CD2-CE1 4.17Å; L149-Y215 HydrophobicContact CD2-CE2 3.96Å; L149-Y215 HydrophobicContact CD2-CG 3.82Å; L149-Y215 VanDerWaalsContact CD2-O 3.31Å; L149-Y215 WeakPolarHBondContact CD2-O 3.4Å; L149-Y215 HydrophobicContact CG-CD2 4.48Å; L149-Y215 HydrophobicContact CG-CE2 4.23Å; L149-Y215 VanDerWaalsContact O-CD2 3.23Å; L149-Y215 WeakPolarHBondContact O-CD2 3.46Å; L149-Y215 VanDerWaalsContact O-CE2 3.25Å; L149-Y215 WeakPolarHBondContact O-CE2 3.5Å; A153-Y215 HydrophobicContact CB-CD2 4.3Å; A153-Y215 HydrophobicContact CB-CE2 4.12Å; A211-Y215 WeakPolarHBondContact O-CB 3.38Å; A211-Y215 PolarHBondContact O-N 3.08Å; E212-Y215 WeakPolarHBondContact O-CB 3.35Å; L213-Y215 VanDerWaalsContact C-N 3.33Å; L213-Y215 PolarHBondContact O-N 3.27Å; Y215-I218 PolarHBondContact O-N 3.39Å; Y215-A219 HydrophobicContact CD1-CB 4.37Å; Y215-A219 HydrophobicContact CE1-CB 4.28Å; Y215-A219 VanDerWaalsContact O-CB 3.28Å; Y215-A219 WeakPolarHBondContact O-CB 3.39Å; Y215-A219 PolarHBondContact O-N 3.05Å
216	L	98.5	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.6	-35.5	-179.5	-72.2	173	0	0	0	112.8	V113 L117 Q123 F126 F127 V130 E212 L213 E214 I218 A219 Q220	V113-L216 HydrophobicContact CB-CB 4.33Å; V113-L216 HydrophobicContact CG1-CB 4.26Å; V113-L216 HydrophobicContact CG2-CB 4.12Å; L117-L216 HydrophobicContact CD1-CD1 3.91Å; Q123-L216 HydrophobicContact CG-CD1 3.88Å; F126-L216 HydrophobicContact CB-CD1 3.88Å; F126-L216 HydrophobicContact CB-CD2 4.25Å; F127-L216 HydrophobicContact CB-CD1 4.3Å; F127-L216 HydrophobicContact CB-CG 4.37Å; V130-L216 HydrophobicContact CB-CD2 4.02Å; V130-L216 HydrophobicContact CG1-CD2 4.35Å; V130-L216 HydrophobicContact CG2-CD2 3.88Å; E212-L216 WeakPolarHBondContact O-CG 3.41Å; E212-L216 PolarHBondContact O-N 3.43Å; E212-L216 VanDerWaalsContact O-N 3.13Å; L213-L216 PolarHBondContact O-N 3.3Å; E214-L216 VanDerWaalsContact C-N 3.32Å; E214-L216 PolarHBondContact O-N 3.47Å; L216-I218 VanDerWaalsContact C-N 3.29Å; L216-I218 PolarHBondContact O-N 3.44Å; L216-A219 PolarHBondContact O-N 2.95Å; L216-Q220 WeakPolarHBondContact O-CB 3.44Å; L216-Q220 PolarHBondContact O-N 3.2Å
217	R	96	Very high	96.2	Very high	85 Å²	85	30.3 Å²	30.3	32%	0.321	15%	0.145	S	C	.	.	H	α-helix	trans	-62.1	-35.8	176.8	-80.9	174.2	170.3	163.5	-0.3	112.7	V113 S114 L213 E214 Q220	V113-R217 HydrophobicContact CG2-CG 3.92Å; S114-R217 PolarHBondContact OG-NE 3.27Å; S114-R217 PolarHBondContact OG-NH2 3.43Å; L213-R217 HydrophobicContact CG-CG 4.48Å; L213-R217 WeakPolarHBondContact O-CB 3.23Å; L213-R217 VanDerWaalsContact O-CG 3.31Å; L213-R217 WeakPolarHBondContact O-CG 3.42Å; L213-R217 PolarHBondContact O-N 3.39Å; E214-R217 PolarHBondContact O-N 2.94Å; E214-R217 IonicContact OE1-CZ 3.94Å; E214-R217 IonicContact OE1-NH1 3.44Å; E214-R217 PolarHBondContact OE1-NH1 3.41Å; R217-Q220 VanDerWaalsContact O-CG 3.27Å; R217-Q220 WeakPolarHBondContact O-CG 3.47Å; R217-Q220 PolarHBondContact O-NE2 3.19Å
218	I	94.9	Very high	96.4	Very high	27 Å²	27	31.3 Å²	31.3	14%	0.138	15%	0.148	C	C	.	.	H	α-helix	trans	-80.2	-44.4	175	-65.1	158	0	0	0	110	L148 L149 Y152 E214 Y215 L216 Q220 D221	L148-I218 HydrophobicContact CD2-CD1 3.6Å; L148-I218 HydrophobicContact CD2-CG1 4.49Å; L148-I218 HydrophobicContact CG-CD1 4.04Å; L149-I218 HydrophobicContact CD2-CB 3.87Å; L149-I218 HydrophobicContact CD2-CD1 4.48Å; L149-I218 HydrophobicContact CD2-CG2 3.88Å; L149-I218 HydrophobicContact CG-CG2 4.24Å; Y152-I218 HydrophobicContact CD2-CD1 3.9Å; Y152-I218 HydrophobicContact CE2-CD1 3.35Å; E214-I218 PolarHBondContact O-N 2.93Å; E214-I218 VanDerWaalsContact O-N 3.12Å; Y215-I218 PolarHBondContact O-N 3.39Å; L216-I218 VanDerWaalsContact C-N 3.29Å; L216-I218 PolarHBondContact O-N 3.44Å; I218-Q220 VanDerWaalsContact C-N 3.29Å; I218-Q220 PolarHBondContact O-N 3.06Å; I218-D221 PolarHBondContact O-N 3.03Å
219	A	97.9	Very high	96.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64	-31.3	-176.8	0	0	0	0	0	113.3	V130 I134 Y215 L216 D221 L222 Y225	V130-A219 HydrophobicContact CG1-CB 3.71Å; I134-A219 HydrophobicContact CD1-CB 4.2Å; Y215-A219 HydrophobicContact CD1-CB 4.37Å; Y215-A219 HydrophobicContact CE1-CB 4.28Å; Y215-A219 VanDerWaalsContact O-CB 3.28Å; Y215-A219 WeakPolarHBondContact O-CB 3.39Å; Y215-A219 PolarHBondContact O-N 3.05Å; L216-A219 PolarHBondContact O-N 2.95Å; A219-D221 PolarHBondContact O-N 3.1Å; A219-L222 HydrophobicContact CB-CD1 4.47Å; A219-L222 WeakPolarHBondContact O-CB 3.37Å; A219-L222 WeakPolarHBondContact O-CG 2.97Å; A219-L222 PolarHBondContact O-N 3.43Å; A219-L222 VanDerWaalsContact O-N 3.14Å; A219-Y225 HydrophobicContact CB-CD2 4.41Å; A219-Y225 VanDerWaalsContact O-CB 3.28Å; A219-Y225 WeakPolarHBondContact O-CB 3.31Å; A219-Y225 VanDerWaalsContact O-CD2 3.32Å; A219-Y225 WeakPolarHBondContact O-CD2 3.33Å
220	Q	96.5	Very high	96.6	Very high	19 Å²	19	27.2 Å²	27.2	9%	0.089	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.5	178.9	69.5	179	-20.1	0	0	113.7	V113 L216 R217 I218 L222 Y225 K610	V113-Q220 HydrophobicContact CG1-CB 4.26Å; V113-Q220 VanDerWaalsContact N-OE1 3.13Å; L216-Q220 WeakPolarHBondContact O-CB 3.44Å; L216-Q220 PolarHBondContact O-N 3.2Å; R217-Q220 VanDerWaalsContact O-CG 3.27Å; R217-Q220 WeakPolarHBondContact O-CG 3.47Å; R217-Q220 PolarHBondContact O-NE2 3.19Å; I218-Q220 VanDerWaalsContact C-N 3.29Å; I218-Q220 PolarHBondContact O-N 3.06Å; Q220-L222 VanDerWaalsContact C-N 3.32Å; Q220-Y225 HydrophobicContact CB-CD1 4.04Å; Q220-Y225 HydrophobicContact CB-CE1 3.76Å; Q220-Y225 HydrophobicContact CB-CE2 4.32Å; Q220-Y225 HydrophobicContact CB-CG 4.46Å; Q220-K610 PolarHBondContact O-NZ 3.24Å
221	D	94.7	Very high	96.7	Very high	82 Å²	82	26 Å²	26	44%	0.439	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.3	-179.8	-67.9	-17.3	0	0	0	112.6	I218 A219 K610 Y611	I218-D221 PolarHBondContact O-N 3.03Å; A219-D221 PolarHBondContact O-N 3.1Å; D221-K610 WeakPolarHBondContact O-CB 3.48Å; D221-K610 WeakPolarHBondContact O-CD 3.25Å; D221-Y611 WeakPolarHBondContact OD1-CE2 3.5Å; D221-Y611 PolarHBondContact OD1-OH 3.01Å
222	L	96.5	Very high	96.8	Very high	16 Å²	16	26 Å²	26	8%	0.084	13%	0.127	C	C	.	.	S	Bend	trans	-64.9	136.5	173.2	-60	175.9	0	0	0	110.4	I134 I139 C141 A219 Q220 M224 Y225 K610	I134-L222 HydrophobicContact CD1-CD1 3.9Å; I134-L222 HydrophobicContact CG1-CD1 4.26Å; I139-L222 HydrophobicContact CG2-CB 4.07Å; I139-L222 HydrophobicContact CG2-CD1 3.74Å; C141-L222 HydrophobicContact CB-CD1 3.93Å; C141-L222 HydrophobicContact CB-CD2 4.49Å; A219-L222 HydrophobicContact CB-CD1 4.47Å; A219-L222 WeakPolarHBondContact O-CB 3.37Å; A219-L222 WeakPolarHBondContact O-CG 2.97Å; A219-L222 PolarHBondContact O-N 3.43Å; A219-L222 VanDerWaalsContact O-N 3.14Å; Q220-L222 VanDerWaalsContact C-N 3.32Å; L222-M224 PolarHBondContact O-N 2.98Å; L222-M224 VanDerWaalsContact O-N 3.17Å; L222-Y225 VanDerWaalsContact O-CB 3.28Å; L222-Y225 WeakPolarHBondContact O-CB 3.46Å; L222-Y225 PolarHBondContact O-N 3.33Å; L222-K610 PolarHBondContact O-NZ 3.16Å
223	D	96	Very high	96.7	Very high	27 Å²	27	27.5 Å²	27.5	14%	0.144	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-37	-173.2	-63.2	-72.2	0	0	0	113.2	L258 K610	D223-L258 HydrophobicContact CB-CB 4.15Å; D223-L258 HydrophobicContact CB-CD2 4.13Å; D223-K610 WeakPolarHBondContact OD1-CA 3.42Å
224	M	97.8	Very high	96.6	Very high	9 Å²	9	26.8 Å²	26.8	4%	0.044	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-7.2	-178.8	-60.5	-174.8	66.1	0	0	114.2	D138 I139 Y140 L222 G226 M227 Y229 K257 L258 L596	D138-M224 WeakPolarHBondContact O-CE 3.38Å; I139-M224 HydrophobicContact CG2-CB 4.27Å; Y140-M224 VanDerWaalsContact CB-SD 3.59Å; L222-M224 PolarHBondContact O-N 2.98Å; L222-M224 VanDerWaalsContact O-N 3.17Å; M224-G226 PolarHBondContact O-N 2.87Å; M224-M227 PolarHBondContact O-N 3.32Å; M224-Y229 HydrophobicContact CB-CE2 4.29Å; M224-Y229 HydrophobicContact CE-CD2 4.22Å; M224-Y229 HydrophobicContact CE-CE2 3.63Å; M224-Y229 HydrophobicContact CG-CE2 4.38Å; M224-K257 HydrophobicContact CE-CB 4.04Å; M224-K257 HydrophobicContact CE-CD 3.88Å; M224-K257 HydrophobicContact SD-CB 4.27Å; M224-L258 HydrophobicContact CG-CD2 3.61Å; M224-L258 HydrophobicContact SD-CD2 3.77Å; M224-L596 HydrophobicContact SD-CD1 4.26Å
225	Y	98	Very high	96.4	Very high	11 Å²	11	30.8 Å²	30.8	4%	0.043	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	130.1	-179.2	172.8	-85.2	0	0	0	111.8	F109 V113 V130 I139 A219 Q220 L222 M227 K610	F109-Y225 HydrophobicContact CB-CE1 4.4Å; F109-Y225 AromaticContact CD1-CE1 3.86Å; F109-Y225 HydrophobicContact CD1-CE1 3.86Å; F109-Y225 HydrophobicContact CD1-CE2 4.11Å; F109-Y225 AromaticContact CD1-CZ 3.61Å; F109-Y225 HydrophobicContact CE1-CE2 4.23Å; F109-Y225 HydrophobicContact CG-CE1 4.5Å; V113-Y225 WeakPolarHBondContact CG1-OH 3.16Å; V130-Y225 HydrophobicContact CG1-CD2 4.14Å; V130-Y225 HydrophobicContact CG1-CE2 4.07Å; V130-Y225 HydrophobicContact CG2-CD2 4.39Å; V130-Y225 HydrophobicContact CG2-CE2 3.76Å; I139-Y225 HydrophobicContact CD1-CD2 4.47Å; A219-Y225 HydrophobicContact CB-CD2 4.41Å; A219-Y225 VanDerWaalsContact O-CB 3.28Å; A219-Y225 WeakPolarHBondContact O-CB 3.31Å; A219-Y225 VanDerWaalsContact O-CD2 3.32Å; A219-Y225 WeakPolarHBondContact O-CD2 3.33Å; Q220-Y225 HydrophobicContact CB-CD1 4.04Å; Q220-Y225 HydrophobicContact CB-CE1 3.76Å; Q220-Y225 HydrophobicContact CB-CE2 4.32Å; Q220-Y225 HydrophobicContact CB-CG 4.46Å; L222-Y225 VanDerWaalsContact O-CB 3.28Å; L222-Y225 WeakPolarHBondContact O-CB 3.46Å; L222-Y225 PolarHBondContact O-N 3.33Å; Y225-M227 PolarHBondContact O-N 2.94Å; Y225-K610 PolarHBondContact O-NZ 3.04Å
226	G	96.8	Very high	96.2	Very high	7 Å²	7	36.7 Å²	36.7	7%	0.072	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	12.8	176.1	0	0	0	0	0	114.9	M224	M224-G226 PolarHBondContact O-N 2.87Å
227	M	97.2	Very high	96	Very high	29 Å²	29	42.3 Å²	42.3	14%	0.143	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-99.9	124.5	-179.2	-67.2	-58.6	-57.2	0	0	111.8	M224 Y225 Y229 N250 Y252	M224-M227 PolarHBondContact O-N 3.32Å; Y225-M227 PolarHBondContact O-N 2.94Å; M227-Y229 HydrophobicContact CB-CD2 4.32Å; M227-Y229 HydrophobicContact CB-CE1 4.39Å; M227-Y229 HydrophobicContact CB-CE2 3.53Å; M227-Y229 WeakPolarHBondContact CB-OH 3.34Å; M227-N250 HydrophobicContact CE-CB 4.22Å; M227-Y252 HydrophobicContact CE-CE2 4.41Å
228	H	96.8	Very high	96	Very high	44 Å²	44	39.6 Å²	39.6	20%	0.204	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118	170	-65.4	-81.5	0	0	0	110.2	K107 F230 G243 V244 L308	K107-H228 PolarHBondContact O-NE2 3.38Å; H228-F230 HydrophobicContact CB-CE2 3.72Å; H228-F230 HydrophobicContact CB-CZ 4.14Å; H228-G243 CarbonylContact O-C 3.51Å; H228-G243 WeakPolarHBondContact O-CA 3.47Å; H228-V244 PolarHBondContact N-O 3.28Å; H228-V244 PolarHBondContact O-N 2.82Å; H228-L308 HydrophobicContact CB-CD1 3.97Å
229	Y	96.8	Very high	96	Very high	38 Å²	38	42.5 Å²	42.5	15%	0.149	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	132.1	-175.4	-65.6	-83.1	0	0	0	113.2	M224 M227 W241 L242 Y252 K257	M224-Y229 HydrophobicContact CB-CE2 4.29Å; M224-Y229 HydrophobicContact CE-CD2 4.22Å; M224-Y229 HydrophobicContact CE-CE2 3.63Å; M224-Y229 HydrophobicContact CG-CE2 4.38Å; M227-Y229 HydrophobicContact CB-CD2 4.32Å; M227-Y229 HydrophobicContact CB-CE1 4.39Å; M227-Y229 HydrophobicContact CB-CE2 3.53Å; M227-Y229 WeakPolarHBondContact CB-OH 3.34Å; Y229-W241 HydrophobicContact CD1-CB 4.37Å; Y229-L242 CarbonylContact C-O 3.58Å; Y229-L242 VanDerWaalsContact CA-O 3.28Å; Y229-L242 WeakPolarHBondContact CA-O 3.44Å; Y229-Y252 HydrophobicContact CD1-CD2 4.43Å; Y229-Y252 HydrophobicContact CD1-CE2 4.38Å; Y229-Y252 HydrophobicContact CE1-CD2 4.05Å; Y229-Y252 HydrophobicContact CE1-CE1 4.39Å; Y229-Y252 AromaticContact CE1-CE2 3.74Å; Y229-Y252 HydrophobicContact CE1-CE2 3.74Å; Y229-Y252 AromaticContact CE1-CZ 3.93Å; Y229-K257 HydrophobicContact CD1-CB 4.45Å; Y229-K257 HydrophobicContact CD1-CD 4.01Å; Y229-K257 HydrophobicContact CD1-CG 4.13Å; Y229-K257 HydrophobicContact CD2-CD 4.32Å; Y229-K257 HydrophobicContact CE1-CB 3.91Å; Y229-K257 HydrophobicContact CE1-CD 4.23Å; Y229-K257 HydrophobicContact CE1-CG 4.08Å; Y229-K257 HydrophobicContact CG-CD 4.06Å; Y229-K257 PolarHBondContact OH-O 3.22Å; Y229-K257 VanDerWaalsContact OH-O 3.09Å
230	F	95.7	Very high	96	Very high	25 Å²	25	43 Å²	43	11%	0.11	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.8	177.5	-58.4	-84.5	0	0	0	111.6	H228 I232 W241 L242 V244 V301 V304 I305 L308	H228-F230 HydrophobicContact CB-CE2 3.72Å; H228-F230 HydrophobicContact CB-CZ 4.14Å; F230-I232 PolarHBondContact O-N 3.42Å; F230-W241 VanDerWaalsContact C-CE3 3.48Å; F230-W241 CarbonylContact O-C 3.36Å; F230-W241 WeakPolarHBondContact O-CA 3.43Å; F230-L242 HydrophobicContact CB-CB 4.34Å; F230-L242 PolarHBondContact N-O 3.48Å; F230-L242 PolarHBondContact O-N 2.93Å; F230-V244 HydrophobicContact CD2-CG2 4.48Å; F230-V244 HydrophobicContact CE2-CG2 4.38Å; F230-V301 HydrophobicContact CD1-CG1 3.73Å; F230-V301 HydrophobicContact CE1-CG1 4.41Å; F230-V304 HydrophobicContact CE1-CG1 4.13Å; F230-V304 HydrophobicContact CZ-CG1 4.19Å; F230-I305 HydrophobicContact CB-CD1 3.81Å; F230-I305 HydrophobicContact CB-CG1 4.21Å; F230-I305 HydrophobicContact CD1-CD1 4.02Å; F230-I305 HydrophobicContact CD1-CG1 3.65Å; F230-I305 HydrophobicContact CD2-CD1 4.16Å; F230-I305 HydrophobicContact CD2-CG1 3.66Å; F230-I305 HydrophobicContact CE1-CG1 3.88Å; F230-I305 HydrophobicContact CE2-CG1 3.89Å; F230-I305 HydrophobicContact CG-CD1 3.71Å; F230-I305 HydrophobicContact CG-CG1 3.53Å; F230-I305 HydrophobicContact CZ-CG1 4.01Å; F230-L308 HydrophobicContact CE2-CD1 3.93Å; F230-L308 HydrophobicContact CZ-CD1 3.51Å
231	P	96.1	Very high	96	Very high	47 Å²	47	44.8 Å²	44.8	31%	0.305	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	127.5	173.2	29.8	-32.6	0	0	0	109.8	W241	P231-W241 HydrophobicContact CB-CE3 4.47Å; P231-W241 HydrophobicContact CB-CZ3 4.26Å; P231-W241 HydrophobicContact CG-CZ3 4.44Å
232	I	97.1	Very high	96.2	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	161.8	-178.8	64.5	160.8	0	0	0	111.1	F230 L240 L242 F294 T295 F629	F230-I232 PolarHBondContact O-N 3.42Å; I232-L240 HydrophobicContact CD1-CB 4.44Å; I232-L240 HydrophobicContact CG1-CB 3.95Å; I232-L240 PolarHBondContact N-O 2.87Å; I232-L240 PolarHBondContact O-N 3.37Å; I232-L242 HydrophobicContact CD1-CB 3.97Å; I232-L242 HydrophobicContact CD1-CD1 4.28Å; I232-L242 HydrophobicContact CG1-CB 4.23Å; I232-L242 HydrophobicContact CG2-CB 3.72Å; I232-F294 HydrophobicContact CB-CB 4.27Å; I232-F294 HydrophobicContact CB-CD2 3.78Å; I232-F294 HydrophobicContact CB-CE2 4.43Å; I232-F294 HydrophobicContact CB-CG 4.22Å; I232-F294 HydrophobicContact CD1-CB 4.03Å; I232-F294 HydrophobicContact CD1-CD1 4.32Å; I232-F294 HydrophobicContact CD1-CD2 4.3Å; I232-F294 HydrophobicContact CD1-CG 3.99Å; I232-F294 HydrophobicContact CG2-CD2 3.48Å; I232-F294 VanDerWaalsContact CG2-CD2 3.48Å; I232-F294 HydrophobicContact CG2-CE2 3.64Å; I232-F294 HydrophobicContact CG2-CG 4.27Å; I232-T295 CarbonylContact C-O 3.58Å; I232-T295 WeakPolarHBondContact CA-O 3.4Å; I232-F629 HydrophobicContact CD1-CE2 4.01Å; I232-F629 HydrophobicContact CD1-CZ 4.27Å
233	H	96.6	Very high	96.2	Very high	33 Å²	33	40.2 Å²	40.2	15%	0.153	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.3	169.1	-48.2	75.4	0	0	0	110.5	E237 S238 N239 F294 T295	H233-E237 IonicContact CG-OE2 2.62Å; H233-S238 WeakPolarHBondContact CA-O 3.48Å; H233-N239 PolarHBondContact NE2-OD1 3.46Å; H233-F294 CarbonylContact O-C 3.5Å; H233-F294 WeakPolarHBondContact O-CA 3.39Å; H233-F294 VanDerWaalsContact O-CB 3.26Å; H233-F294 WeakPolarHBondContact O-CB 3.41Å; H233-T295 PolarHBondContact N-O 3.28Å; H233-T295 PolarHBondContact O-N 3.45Å
234	N	94.9	Very high	96.3	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.011	19%	0.186	C	C	.	.			trans	-83.8	-171	172.5	71.5	1.6	0	0	0	110.7	K236 E237 S238 L240 F629 L632	N234-K236 PolarHBondContact O-N 3.49Å; N234-K236 WeakPolarHBondContact OD1-CA 3.32Å; N234-K236 WeakPolarHBondContact OD1-CB 3.5Å; N234-K236 PolarHBondContact OD1-N 2.85Å; N234-E237 PolarHBondContact O-N 3.11Å; N234-E237 PolarHBondContact OD1-N 2.93Å; N234-S238 WeakPolarHBondContact OD1-CB 3.48Å; N234-S238 PolarHBondContact OD1-N 2.88Å; N234-S238 VanDerWaalsContact OD1-N 3.09Å; N234-L240 HydrophobicContact CB-CD1 4.18Å; N234-F629 HydrophobicContact CB-CE1 3.82Å; N234-F629 HydrophobicContact CB-CE2 3.87Å; N234-F629 HydrophobicContact CB-CZ 3.42Å; N234-F629 VanDerWaalsContact CB-CZ 3.42Å; N234-F629 PolarHBondContact ND2-O 3.47Å; N234-L632 PolarHBondContact ND2-OXT 2.67Å
235	K	91.3	Very high	96.3	Very high	136 Å²	136	38.7 Å²	38.7	59%	0.591	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.7	179	-64.6	175.4	-170	148.4	0	114.5	E237 D630	K235-E237 VanDerWaalsContact C-N 3.31Å; K235-D630 IonicContact NZ-OD1 3.99Å; K235-D630 IonicContact NZ-OD2 3.92Å; K235-D630 PolarHBondContact NZ-OD2 2.83Å
236	K	93.8	Very high	96.2	Very high	131 Å²	131	39 Å²	39	57%	0.57	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	3.5	176.1	-67.3	-176.2	-179.7	175.7	0	112.7	N234 S238 D630 G631	N234-K236 PolarHBondContact O-N 3.49Å; N234-K236 WeakPolarHBondContact OD1-CA 3.32Å; N234-K236 WeakPolarHBondContact OD1-CB 3.5Å; N234-K236 PolarHBondContact OD1-N 2.85Å; K236-S238 PolarHBondContact O-N 2.84Å; K236-D630 WeakPolarHBondContact CD-O 3.09Å; K236-D630 WeakPolarHBondContact CE-O 3.46Å; K236-G631 PolarHBondContact NZ-O 2.98Å
237	E	93.9	Very high	96.1	Very high	118 Å²	118	41.9 Å²	41.9	55%	0.551	20%	0.203	S	C	*	.			trans	61.6	26.2	-174.6	-55.8	-64	154	0	0	113.3	H233 N234 K235	H233-E237 IonicContact CG-OE2 2.62Å; N234-E237 PolarHBondContact O-N 3.11Å; N234-E237 PolarHBondContact OD1-N 2.93Å; K235-E237 VanDerWaalsContact C-N 3.31Å
238	S	95.9	Very high	96	Very high	29 Å²	29	40.7 Å²	40.7	20%	0.203	20%	0.198	C	C	.	.			trans	-68.7	134.3	174.7	-63.6	0	0	0	0	110.8	H233 N234 K236 L240 L632	H233-S238 WeakPolarHBondContact CA-O 3.48Å; N234-S238 WeakPolarHBondContact OD1-CB 3.48Å; N234-S238 PolarHBondContact OD1-N 2.88Å; N234-S238 VanDerWaalsContact OD1-N 3.09Å; K236-S238 PolarHBondContact O-N 2.84Å; S238-L240 PolarHBondContact O-N 2.95Å; S238-L632 VanDerWaalsContact CB-O 3.29Å; S238-L632 WeakPolarHBondContact CB-O 3.33Å; S238-L632 PolarHBondContact OG-O 3.25Å; S238-L632 PolarHBondContact OG-OXT 3.22Å; S238-L632 VanDerWaalsContact OG-OXT 3.07Å
239	N	95.9	Very high	96.1	Very high	88 Å²	88	38.6 Å²	38.6	47%	0.471	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	110.6	177	-71.7	-75.7	0	0	0	110.2	H233 K254	H233-N239 PolarHBondContact NE2-OD1 3.46Å; N239-K254 HydrophobicContact CB-CD 4.01Å
240	L	97.4	Very high	96.1	Very high	9 Å²	9	37.3 Å²	37.3	5%	0.047	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	166.6	-175.3	-60	172.6	0	0	0	110.8	I232 N234 S238 V251 Y252 F629 L632	I232-L240 HydrophobicContact CD1-CB 4.44Å; I232-L240 HydrophobicContact CG1-CB 3.95Å; I232-L240 PolarHBondContact N-O 2.87Å; I232-L240 PolarHBondContact O-N 3.37Å; N234-L240 HydrophobicContact CB-CD1 4.18Å; S238-L240 PolarHBondContact O-N 2.95Å; L240-V251 HydrophobicContact CB-CG1 4.26Å; L240-V251 HydrophobicContact CD1-CG1 4.12Å; L240-Y252 WeakPolarHBondContact CA-O 3.37Å; L240-Y252 WeakPolarHBondContact CB-O 3.4Å; L240-F629 HydrophobicContact CD1-CD2 4.07Å; L240-F629 HydrophobicContact CD1-CE2 3.64Å; L240-L632 HydrophobicContact CD1-CB 4.24Å; L240-L632 HydrophobicContact CD1-CD1 4.36Å; L240-L632 HydrophobicContact CD2-CB 4.18Å; L240-L632 HydrophobicContact CD2-CD1 4.13Å
241	W	97.5	Very high	96.2	Very high	58 Å²	58	36.1 Å²	36.1	22%	0.22	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.4	167.5	-62.8	96.8	0	0	0	110.8	Y229 F230 P231 V251 Y252 K254 K257	Y229-W241 HydrophobicContact CD1-CB 4.37Å; F230-W241 VanDerWaalsContact C-CE3 3.48Å; F230-W241 CarbonylContact O-C 3.36Å; F230-W241 WeakPolarHBondContact O-CA 3.43Å; P231-W241 HydrophobicContact CB-CE3 4.47Å; P231-W241 HydrophobicContact CB-CZ3 4.26Å; P231-W241 HydrophobicContact CG-CZ3 4.44Å; W241-V251 WeakPolarHBondContact O-CA 3.29Å; W241-Y252 HydrophobicContact CB-CD2 4.44Å; W241-Y252 PolarHBondContact N-O 3.43Å; W241-Y252 PolarHBondContact O-N 3.05Å; W241-K254 PolarHBondContact NE1-O 3.38Å; W241-K257 HydrophobicContact CG-CG 4.37Å; W241-K257 VanDerWaalsContact CZ2-CE 3.48Å
242	L	97.6	Very high	96.2	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.5	161.1	-172.7	78	0	0	0	108.1	Y229 F230 I232 V244 I249 N250 V251 F294 I305	Y229-L242 CarbonylContact C-O 3.58Å; Y229-L242 VanDerWaalsContact CA-O 3.28Å; Y229-L242 WeakPolarHBondContact CA-O 3.44Å; F230-L242 HydrophobicContact CB-CB 4.34Å; F230-L242 PolarHBondContact N-O 3.48Å; F230-L242 PolarHBondContact O-N 2.93Å; I232-L242 HydrophobicContact CD1-CB 3.97Å; I232-L242 HydrophobicContact CD1-CD1 4.28Å; I232-L242 HydrophobicContact CG1-CB 4.23Å; I232-L242 HydrophobicContact CG2-CB 3.72Å; L242-V244 HydrophobicContact CD2-CG2 3.98Å; L242-V244 HydrophobicContact CG-CG2 4.27Å; L242-I249 HydrophobicContact CD1-CG2 3.42Å; L242-I249 VanDerWaalsContact CD1-CG2 3.42Å; L242-I249 HydrophobicContact CG-CG2 4.16Å; L242-N250 CarbonylContact C-O 3.55Å; L242-V251 HydrophobicContact CD1-CG2 4.49Å; L242-F294 HydrophobicContact CD1-CE1 4.03Å; L242-F294 HydrophobicContact CD1-CZ 4.19Å; L242-F294 HydrophobicContact CD2-CE1 4.22Å; L242-F294 HydrophobicContact CD2-CE2 4.12Å; L242-F294 HydrophobicContact CD2-CZ 3.55Å; L242-F294 HydrophobicContact CG-CZ 4.45Å; L242-I305 HydrophobicContact CD2-CD1 4.19Å; L242-I305 HydrophobicContact CD2-CG2 3.76Å
243	G	97.9	Very high	96.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129	166.8	0	0	0	0	0	110.5	H228 I249 N250	H228-G243 CarbonylContact O-C 3.51Å; H228-G243 WeakPolarHBondContact O-CA 3.47Å; G243-I249 CarbonylContact O-C 3.56Å; G243-I249 WeakPolarHBondContact O-CA 3.36Å; G243-N250 PolarHBondContact N-O 3.29Å; G243-N250 PolarHBondContact O-N 2.95Å
244	V	98.1	Very high	96	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.6	173.4	-176.3	0	0	0	0	108.5	H228 F230 L242 W266 I305 L308	H228-V244 PolarHBondContact N-O 3.28Å; H228-V244 PolarHBondContact O-N 2.82Å; F230-V244 HydrophobicContact CD2-CG2 4.48Å; F230-V244 HydrophobicContact CE2-CG2 4.38Å; L242-V244 HydrophobicContact CD2-CG2 3.98Å; L242-V244 HydrophobicContact CG-CG2 4.27Å; V244-W266 HydrophobicContact CG1-CH2 4.1Å; V244-W266 HydrophobicContact CG1-CZ2 4.05Å; V244-I305 HydrophobicContact CG2-CG2 4.47Å; V244-L308 HydrophobicContact CG1-CB 4.38Å
245	G	97.2	Very high	95.8	Very high	4 Å²	4	46.7 Å²	46.7	4%	0.041	23%	0.226	C	C	.	.			trans	-139	-173.8	-178.1	0	0	0	0	0	113.6	L247 G248 W266	G245-L247 VanDerWaalsContact C-N 3.32Å; G245-L247 PolarHBondContact O-N 2.9Å; G245-G248 PolarHBondContact N-O 3.07Å; G245-W266 WeakPolarHBondContact O-CZ2 3.03Å; G245-W266 PolarHBondContact O-NE1 2.86Å; G245-W266 VanDerWaalsContact O-NE1 3.08Å
246	S	95.9	Very high	95.9	Very high	19 Å²	19	41 Å²	41	13%	0.133	20%	0.202	C	C	.	.	S	Bend	trans	-67.5	-29.7	-179.2	55.4	0	0	0	0	113.2	F109 P110 W266	F109-S246 WeakPolarHBondContact O-CB 3.34Å; P110-S246 PolarHBondContact O-OG 3.34Å; S246-W266 PolarHBondContact O-NE1 3.49Å
247	L	94.1	Very high	96.1	Very high	66 Å²	66	37 Å²	37	35%	0.346	18%	0.184	S	C	.	.	S	Bend	trans	-88.6	-23.5	-178.1	-61.2	175.8	0	0	0	114.3	E111 G245 W266 Y611 L614	E111-L247 HydrophobicContact CB-CD2 4.43Å; E111-L247 HydrophobicContact CG-CD2 3.88Å; G245-L247 VanDerWaalsContact C-N 3.32Å; G245-L247 PolarHBondContact O-N 2.9Å; L247-W266 VanDerWaalsContact C-CD1 3.47Å; L247-Y611 HydrophobicContact CD1-CD1 4.49Å; L247-Y611 HydrophobicContact CD1-CE1 4.26Å; L247-L614 HydrophobicContact CD1-CD1 3.7Å
248	G	96.1	Very high	96.2	Very high	4 Å²	4	31.6 Å²	31.6	4%	0.041	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.5	-156.6	-177.9	0	0	0	0	0	113.9	G245 F264 W266	G245-G248 PolarHBondContact N-O 3.07Å; G248-F264 WeakPolarHBondContact CA-O 3.21Å; G248-W266 VanDerWaalsContact N-NE1 3.2Å
249	I	97.3	Very high	96.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.5	177.6	-59.4	178.9	0	0	0	109.1	L242 G243 S263 F264 W266 I269 I272 I281	L242-I249 HydrophobicContact CD1-CG2 3.42Å; L242-I249 VanDerWaalsContact CD1-CG2 3.42Å; L242-I249 HydrophobicContact CG-CG2 4.16Å; G243-I249 CarbonylContact O-C 3.56Å; G243-I249 WeakPolarHBondContact O-CA 3.36Å; I249-S263 CarbonylContact O-C 3.53Å; I249-S263 WeakPolarHBondContact O-CA 3.17Å; I249-F264 PolarHBondContact N-O 3.39Å; I249-F264 PolarHBondContact O-N 2.89Å; I249-W266 HydrophobicContact CD1-CH2 3.77Å; I249-W266 HydrophobicContact CD1-CZ3 3.82Å; I249-W266 HydrophobicContact CG1-CH2 3.54Å; I249-W266 HydrophobicContact CG1-CZ2 4.1Å; I249-W266 HydrophobicContact CG1-CZ3 3.93Å; I249-I269 HydrophobicContact CD1-CD1 3.62Å; I249-I269 HydrophobicContact CG1-CD1 4Å; I249-I272 HydrophobicContact CD1-CD1 4.19Å; I249-I281 HydrophobicContact CD1-CD1 3.62Å; I249-I281 HydrophobicContact CD1-CG1 4.33Å; I249-I281 HydrophobicContact CG2-CD1 4.11Å
250	N	97.4	Very high	96.2	Very high	11 Å²	11	28.1 Å²	28.1	6%	0.059	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	149.9	-176.4	-66.3	-19.5	0	0	0	110.6	M227 L242 G243 Y252 P260 A262 S263 L614	M227-N250 HydrophobicContact CE-CB 4.22Å; L242-N250 CarbonylContact C-O 3.55Å; G243-N250 PolarHBondContact N-O 3.29Å; G243-N250 PolarHBondContact O-N 2.95Å; N250-Y252 HydrophobicContact CB-CD2 4.25Å; N250-Y252 HydrophobicContact CB-CE2 3.32Å; N250-Y252 WeakPolarHBondContact CB-OH 3.28Å; N250-Y252 PolarHBondContact ND2-OH 2.94Å; N250-P260 HydrophobicContact CB-CB 3.98Å; N250-A262 CarbonylContact C-O 3.51Å; N250-A262 WeakPolarHBondContact CA-O 3.18Å; N250-S263 VanDerWaalsContact OD1-CB 3.27Å; N250-S263 WeakPolarHBondContact OD1-CB 3.44Å; N250-S263 PolarHBondContact OD1-OG 3.47Å; N250-L614 WeakPolarHBondContact ND2-CD2 3.19Å
251	V	97.4	Very high	96.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.8	171.3	-175.5	0	0	0	0	110.4	L240 W241 L242 P260 K261 A262 F629	L240-V251 HydrophobicContact CB-CG1 4.26Å; L240-V251 HydrophobicContact CD1-CG1 4.12Å; W241-V251 WeakPolarHBondContact O-CA 3.29Å; L242-V251 HydrophobicContact CD1-CG2 4.49Å; V251-P260 CarbonylContact O-C 3.58Å; V251-P260 WeakPolarHBondContact O-CA 3.45Å; V251-K261 PolarHBondContact O-N 3.46Å; V251-A262 PolarHBondContact N-O 3.39Å; V251-A262 PolarHBondContact O-N 2.76Å; V251-F629 HydrophobicContact CB-CD2 4.16Å; V251-F629 HydrophobicContact CG1-CD2 3.68Å; V251-F629 HydrophobicContact CG1-CE2 3.85Å; V251-F629 HydrophobicContact CG2-CD2 3.86Å; V251-F629 HydrophobicContact CG2-CE2 4.13Å
252	Y	97.1	Very high	95.9	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.6	-176.2	-51.8	-104.7	0	0	0	111.3	M227 Y229 L240 W241 N250 N256 K257 P260	M227-Y252 HydrophobicContact CE-CE2 4.41Å; Y229-Y252 HydrophobicContact CD1-CD2 4.43Å; Y229-Y252 HydrophobicContact CD1-CE2 4.38Å; Y229-Y252 HydrophobicContact CE1-CD2 4.05Å; Y229-Y252 HydrophobicContact CE1-CE1 4.39Å; Y229-Y252 AromaticContact CE1-CE2 3.74Å; Y229-Y252 HydrophobicContact CE1-CE2 3.74Å; Y229-Y252 AromaticContact CE1-CZ 3.93Å; L240-Y252 WeakPolarHBondContact CA-O 3.37Å; L240-Y252 WeakPolarHBondContact CB-O 3.4Å; W241-Y252 HydrophobicContact CB-CD2 4.44Å; W241-Y252 PolarHBondContact N-O 3.43Å; W241-Y252 PolarHBondContact O-N 3.05Å; N250-Y252 HydrophobicContact CB-CD2 4.25Å; N250-Y252 HydrophobicContact CB-CE2 3.32Å; N250-Y252 WeakPolarHBondContact CB-OH 3.28Å; N250-Y252 PolarHBondContact ND2-OH 2.94Å; Y252-N256 WeakPolarHBondContact CB-O 3.47Å; Y252-K257 WeakPolarHBondContact CD1-O 3.48Å; Y252-K257 WeakPolarHBondContact CE1-O 3.44Å; Y252-P260 HydrophobicContact CD1-CB 4.08Å; Y252-P260 HydrophobicContact CE1-CB 3.71Å; Y252-P260 HydrophobicContact CE1-CG 4.17Å; Y252-P260 HydrophobicContact CE2-CB 4.49Å
253	E	95.1	Very high	95.9	Very high	74 Å²	74	28.6 Å²	28.6	35%	0.346	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	157.5	168.3	-70.9	173.5	158.9	0	0	110.7	N255 N256 K261	E253-N255 PolarHBondContact O-N 2.93Å; E253-N255 VanDerWaalsContact O-N 3.11Å; E253-N256 PolarHBondContact O-N 3.33Å; E253-K261 HydrophobicContact CG-CG 4.04Å; E253-K261 VanDerWaalsContact OE1-CE 3.23Å; E253-K261 WeakPolarHBondContact OE1-CE 3.36Å; E253-K261 IonicContact OE1-NZ 3.63Å; E253-K261 WeakPolarHBondContact OE2-CE 3.42Å; E253-K261 IonicContact OE2-NZ 3.48Å; E253-K261 PolarHBondContact OE2-NZ 2.95Å
254	K	93.1	Very high	95.7	Very high	125 Å²	125	28.7 Å²	28.7	54%	0.543	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-38.5	-175.2	-171	178.5	179	178.6	0	114.5	N239 W241	N239-K254 HydrophobicContact CB-CD 4.01Å; W241-K254 PolarHBondContact NE1-O 3.38Å
255	N	91.4	Very high	95.5	Very high	104 Å²	104	30.3 Å²	30.3	56%	0.556	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.2	4.6	-170.6	-58.2	-11.5	0	0	0	113.6	E253	E253-N255 PolarHBondContact O-N 2.93Å; E253-N255 VanDerWaalsContact O-N 3.11Å
256	N	94.5	Very high	95.4	Very high	16 Å²	16	30.1 Å²	30.1	9%	0.086	16%	0.156	C	C	.	.			trans	-139.4	98.2	179	-177.2	-12.4	0	0	0	110.2	Y252 E253 L258 T259 A599	Y252-N256 WeakPolarHBondContact CB-O 3.47Å; E253-N256 PolarHBondContact O-N 3.33Å; N256-L258 PolarHBondContact OD1-N 2.97Å; N256-T259 PolarHBondContact ND2-OG1 3.07Å; N256-T259 PolarHBondContact OD1-N 3.44Å; N256-A599 HydrophobicContact CB-CB 4.43Å
257	K	96.2	Very high	95.3	Very high	48 Å²	48	32.5 Å²	32.5	21%	0.209	17%	0.172	C	C	.	.	S	Bend	trans	-89.4	-2.5	174.6	-70.4	-177.4	177.4	179.3	0	113.8	M224 Y229 W241 Y252 L596	M224-K257 HydrophobicContact CE-CB 4.04Å; M224-K257 HydrophobicContact CE-CD 3.88Å; M224-K257 HydrophobicContact SD-CB 4.27Å; Y229-K257 HydrophobicContact CD1-CB 4.45Å; Y229-K257 HydrophobicContact CD1-CD 4.01Å; Y229-K257 HydrophobicContact CD1-CG 4.13Å; Y229-K257 HydrophobicContact CD2-CD 4.32Å; Y229-K257 HydrophobicContact CE1-CB 3.91Å; Y229-K257 HydrophobicContact CE1-CD 4.23Å; Y229-K257 HydrophobicContact CE1-CG 4.08Å; Y229-K257 HydrophobicContact CG-CD 4.06Å; Y229-K257 PolarHBondContact OH-O 3.22Å; Y229-K257 VanDerWaalsContact OH-O 3.09Å; W241-K257 HydrophobicContact CG-CG 4.37Å; W241-K257 VanDerWaalsContact CZ2-CE 3.48Å; Y252-K257 WeakPolarHBondContact CD1-O 3.48Å; Y252-K257 WeakPolarHBondContact CE1-O 3.44Å; K257-L596 HydrophobicContact CB-CD2 4.32Å
258	L	95.9	Very high	95.2	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	17%	0.166	C	C	.	.	S	Bend	trans	-84.8	-47.1	-179.9	-52.9	-174.5	0	0	0	110.1	Y140 D223 M224 N256 P260 L596 A599	Y140-L258 HydrophobicContact CD1-CD1 4.02Å; Y140-L258 HydrophobicContact CD1-CD2 4.03Å; Y140-L258 HydrophobicContact CE1-CD1 4.25Å; Y140-L258 HydrophobicContact CG-CD1 4.47Å; Y140-L258 HydrophobicContact CG-CD2 4.07Å; D223-L258 HydrophobicContact CB-CB 4.15Å; D223-L258 HydrophobicContact CB-CD2 4.13Å; M224-L258 HydrophobicContact CG-CD2 3.61Å; M224-L258 HydrophobicContact SD-CD2 3.77Å; N256-L258 PolarHBondContact OD1-N 2.97Å; L258-P260 VanDerWaalsContact O-CD 3.22Å; L258-P260 WeakPolarHBondContact O-CD 3.34Å; L258-L596 HydrophobicContact CD1-CB 4.47Å; L258-L596 VanDerWaalsContact CD1-O 3.3Å; L258-L596 WeakPolarHBondContact CD1-O 3.33Å; L258-L596 HydrophobicContact CD2-CD2 4.11Å; L258-L596 HydrophobicContact CG-CD2 3.97Å; L258-A599 HydrophobicContact CD1-CB 4.01Å; L258-A599 HydrophobicContact CG-CB 4.41Å
259	T	95.8	Very high	95.1	Very high	35 Å²	35	31.5 Å²	31.5	22%	0.215	17%	0.165	C	C	.	.	S	Bend	trans	-104.5	101.9	-171.4	-39.1	0	0	0	0	111.4	N256 T613	N256-T259 PolarHBondContact ND2-OG1 3.07Å; N256-T259 PolarHBondContact OD1-N 3.44Å; T259-T613 HydrophobicContact CG2-CG2 3.63Å
260	P	96.1	Very high	94.8	Very high	9 Å²	9	36.9 Å²	36.9	6%	0.058	19%	0.188	C	C	.	.			trans	-65	142.1	174.4	27.4	-35.9	0	0	0	112	N250 V251 Y252 L258 T613 L614 S617	N250-P260 HydrophobicContact CB-CB 3.98Å; V251-P260 CarbonylContact O-C 3.58Å; V251-P260 WeakPolarHBondContact O-CA 3.45Å; Y252-P260 HydrophobicContact CD1-CB 4.08Å; Y252-P260 HydrophobicContact CE1-CB 3.71Å; Y252-P260 HydrophobicContact CE1-CG 4.17Å; Y252-P260 HydrophobicContact CE2-CB 4.49Å; L258-P260 VanDerWaalsContact O-CD 3.22Å; L258-P260 WeakPolarHBondContact O-CD 3.34Å; P260-T613 HydrophobicContact CG-CG2 4.15Å; P260-L614 HydrophobicContact CG-CD2 4.12Å; P260-S617 WeakPolarHBondContact O-CB 3.47Å
261	K	95.2	Very high	94.5	Very high	72 Å²	72	40.8 Å²	40.8	31%	0.313	21%	0.206	S	C	.	.	S	Bend	trans	-86.8	-34.1	173.4	-63.9	-56.1	-168.6	-173.1	0	112.6	V251 E253 L628 L632	V251-K261 PolarHBondContact O-N 3.46Å; E253-K261 HydrophobicContact CG-CG 4.04Å; E253-K261 VanDerWaalsContact OE1-CE 3.23Å; E253-K261 WeakPolarHBondContact OE1-CE 3.36Å; E253-K261 IonicContact OE1-NZ 3.63Å; E253-K261 WeakPolarHBondContact OE2-CE 3.42Å; E253-K261 IonicContact OE2-NZ 3.48Å; E253-K261 PolarHBondContact OE2-NZ 2.95Å; K261-L628 WeakPolarHBondContact O-CD2 3.46Å; K261-L632 HydrophobicContact CB-CD1 3.94Å; K261-L632 HydrophobicContact CG-CD1 4.18Å; K261-L632 HydrophobicContact CG-CD2 4.38Å
262	A	95.3	Very high	94.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	135.1	176.6	0	0	0	0	0	109.9	N250 V251 F264	N250-A262 CarbonylContact C-O 3.51Å; N250-A262 WeakPolarHBondContact CA-O 3.18Å; V251-A262 PolarHBondContact N-O 3.39Å; V251-A262 PolarHBondContact O-N 2.76Å; A262-F264 HydrophobicContact CB-CE2 4.26Å
263	S	95.6	Very high	94.3	Very high	7 Å²	7	43.7 Å²	43.7	5%	0.049	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.2	179.7	-71.9	0	0	0	0	111.3	I249 N250 S617 R625	I249-S263 CarbonylContact O-C 3.53Å; I249-S263 WeakPolarHBondContact O-CA 3.17Å; N250-S263 VanDerWaalsContact OD1-CB 3.27Å; N250-S263 WeakPolarHBondContact OD1-CB 3.44Å; N250-S263 PolarHBondContact OD1-OG 3.47Å; S263-S617 PolarHBondContact N-O 3.1Å; S263-S617 PolarHBondContact OG-OG 2.91Å; S263-R625 WeakPolarHBondContact O-CD 3.3Å; S263-R625 PolarHBondContact O-NH1 3.19Å
264	F	95	Very high	94.2	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.009	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	108.7	179.6	-56.3	-87.2	0	0	0	108.7	G248 I249 A262 V292 T622 R625 I626	G248-F264 WeakPolarHBondContact CA-O 3.21Å; I249-F264 PolarHBondContact N-O 3.39Å; I249-F264 PolarHBondContact O-N 2.89Å; A262-F264 HydrophobicContact CB-CE2 4.26Å; F264-V292 HydrophobicContact CD1-CG2 4.24Å; F264-V292 HydrophobicContact CD2-CG2 4.4Å; F264-V292 HydrophobicContact CE1-CG2 3.66Å; F264-V292 HydrophobicContact CE2-CG2 3.84Å; F264-V292 HydrophobicContact CZ-CG2 3.43Å; F264-V292 VanDerWaalsContact CZ-CG2 3.43Å; F264-T622 HydrophobicContact CD1-CG2 4.46Å; F264-T622 HydrophobicContact CE1-CG2 4.34Å; F264-R625 HydrophobicContact CE1-CB 4.01Å; F264-R625 HydrophobicContact CZ-CB 4.11Å; F264-I626 HydrophobicContact CE1-CG1 3.99Å; F264-I626 HydrophobicContact CZ-CG1 4.2Å
265	A	94.4	Very high	94.3	Very high	34 Å²	34	44 Å²	44	28%	0.281	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	150.6	177.5	0	0	0	0	0	111.1	S267 E268	A265-S267 PolarHBondContact O-N 3.18Å; A265-E268 HydrophobicContact CB-CG 4.43Å; A265-E268 WeakPolarHBondContact O-CB 3.21Å; A265-E268 PolarHBondContact O-N 2.94Å
266	W	95.4	Very high	94.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-57.8	-32.3	178.6	-69.4	121.1	0	0	0	113.4	V244 G245 S246 L247 G248 I249 E268 I269 I272 C309 H313 Y316	V244-W266 HydrophobicContact CG1-CH2 4.1Å; V244-W266 HydrophobicContact CG1-CZ2 4.05Å; G245-W266 WeakPolarHBondContact O-CZ2 3.03Å; G245-W266 PolarHBondContact O-NE1 2.86Å; G245-W266 VanDerWaalsContact O-NE1 3.08Å; S246-W266 PolarHBondContact O-NE1 3.49Å; L247-W266 VanDerWaalsContact C-CD1 3.47Å; G248-W266 VanDerWaalsContact N-NE1 3.2Å; I249-W266 HydrophobicContact CD1-CH2 3.77Å; I249-W266 HydrophobicContact CD1-CZ3 3.82Å; I249-W266 HydrophobicContact CG1-CH2 3.54Å; I249-W266 HydrophobicContact CG1-CZ2 4.1Å; I249-W266 HydrophobicContact CG1-CZ3 3.93Å; W266-E268 PolarHBondContact O-N 3.45Å; W266-E268 VanDerWaalsContact O-N 3.16Å; W266-I269 HydrophobicContact CD2-CD1 4.46Å; W266-I269 HydrophobicContact CE3-CD1 3.55Å; W266-I269 HydrophobicContact CZ3-CD1 3.66Å; W266-I269 PolarHBondContact O-N 2.77Å; W266-I269 VanDerWaalsContact O-N 3.13Å; W266-I272 HydrophobicContact CZ3-CD1 4.15Å; W266-C309 HydrophobicContact CH2-CB 3.93Å; W266-C309 HydrophobicContact CZ3-CB 4.25Å; W266-H313 HydrophobicContact CD2-CB 4.16Å; W266-H313 HydrophobicContact CE3-CB 3.7Å; W266-H313 AromaticContact CE3-CG 3.96Å; W266-H313 HydrophobicContact CZ3-CB 4.03Å; W266-Y316 HydrophobicContact CB-CD1 3.51Å; W266-Y316 HydrophobicContact CB-CD2 3.62Å; W266-Y316 HydrophobicContact CB-CE1 3.82Å; W266-Y316 HydrophobicContact CB-CE2 3.86Å; W266-Y316 HydrophobicContact CB-CG 3.44Å; W266-Y316 VanDerWaalsContact CB-CG 3.44Å; W266-Y316 AromaticContact CD1-CD2 3.71Å; W266-Y316 AromaticContact CD1-CG 3.84Å; W266-Y316 HydrophobicContact CG-CD1 4.38Å; W266-Y316 HydrophobicContact CG-CD2 4.04Å; W266-Y316 AromaticContact CG-CG 3.89Å; W266-Y316 HydrophobicContact CG-CG 3.89Å
267	S	92.7	Very high	94.2	Very high	68 Å²	68	50.7 Å²	50.7	48%	0.476	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-59.8	-22.7	174.1	44.4	0	0	0	0	114.4	A265 Y316	A265-S267 PolarHBondContact O-N 3.18Å; S267-Y316 VanDerWaalsContact CB-OH 3.29Å; S267-Y316 WeakPolarHBondContact CB-OH 3.32Å
268	E	92.4	Very high	94	Very high	47 Å²	47	53.6 Å²	53.6	22%	0.22	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-88.7	-17.9	-179.7	-58.4	-179.3	-174.9	0	0	112.7	A265 W266 T283 W284 R625	A265-E268 HydrophobicContact CB-CG 4.43Å; A265-E268 WeakPolarHBondContact O-CB 3.21Å; A265-E268 PolarHBondContact O-N 2.94Å; W266-E268 PolarHBondContact O-N 3.45Å; W266-E268 VanDerWaalsContact O-N 3.16Å; E268-T283 CarbonylContact O-C 3.49Å; E268-T283 WeakPolarHBondContact O-CA 3.13Å; E268-T283 WeakPolarHBondContact O-CB 3.45Å; E268-W284 PolarHBondContact O-N 3.34Å; E268-R625 IonicContact OE1-CZ 3.03Å; E268-R625 IonicContact OE1-NH1 3.66Å; E268-R625 IonicContact OE1-NH2 2.76Å; E268-R625 PolarHBondContact OE1-NH2 3.18Å; E268-R625 IonicContact OE2-CZ 3.27Å; E268-R625 VanDerWaalsContact OE2-CZ 3.23Å; E268-R625 IonicContact OE2-NH1 2.77Å; E268-R625 PolarHBondContact OE2-NH1 3.23Å; E268-R625 IonicContact OE2-NH2 3.86Å; E268-R625 PolarHBondContact OE2-NH2 3.16Å
269	I	92.7	Very high	94.1	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	122	-172.2	-63.8	170.9	0	0	0	109.5	I249 W266 I272 I281 W284	I249-I269 HydrophobicContact CD1-CD1 3.62Å; I249-I269 HydrophobicContact CG1-CD1 4Å; W266-I269 HydrophobicContact CD2-CD1 4.46Å; W266-I269 HydrophobicContact CE3-CD1 3.55Å; W266-I269 HydrophobicContact CZ3-CD1 3.66Å; W266-I269 PolarHBondContact O-N 2.77Å; W266-I269 VanDerWaalsContact O-N 3.13Å; I269-I272 HydrophobicContact CG2-CD1 3.98Å; I269-I272 HydrophobicContact CG2-CG1 3.76Å; I269-I281 HydrophobicContact CD1-CG2 4.17Å; I269-I281 HydrophobicContact CG1-CG2 3.96Å; I269-I281 HydrophobicContact CG2-CG2 4.06Å; I269-W284 PolarHBondContact O-NE1 3.43Å
270	K	91.6	Very high	94	Very high	113 Å²	113	53.8 Å²	53.8	49%	0.491	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-52.9	179.1	179.5	178.8	179.1	-177	0	111.5	H282 W284	K270-H282 WeakPolarHBondContact CB-O 3.47Å; K270-H282 PolarHBondContact N-O 3Å; K270-W284 HydrophobicContact CB-CD2 3.87Å; K270-W284 HydrophobicContact CB-CE3 4.24Å; K270-W284 HydrophobicContact CB-CG 4.18Å; K270-W284 HydrophobicContact CB-CZ2 4.33Å; K270-W284 HydrophobicContact CD-CD2 4.33Å; K270-W284 HydrophobicContact CD-CE3 3.84Å; K270-W284 HydrophobicContact CD-CH2 4.49Å; K270-W284 HydrophobicContact CD-CZ3 3.93Å; K270-W284 HydrophobicContact CG-CD2 4.03Å; K270-W284 HydrophobicContact CG-CE3 3.92Å; K270-W284 HydrophobicContact CG-CH2 3.97Å; K270-W284 HydrophobicContact CG-CZ2 4.06Å; K270-W284 HydrophobicContact CG-CZ3 3.9Å
271	H	92.2	Very high	93.9	Very high	93 Å²	93	53.4 Å²	53.4	43%	0.431	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	158.5	175.6	71.5	-70.8	0	0	0	110.7	H282	H271-H282 AromaticContact CD2-CD2 3.59Å; H271-H282 WeakPolarHBondContact CE1-CB 3.4Å; H271-H282 AromaticContact CE1-CD2 3.25Å; H271-H282 PolarHBondContact CE1-CD2 2.65Å; H271-H282 AromaticContact CE1-CG 3.28Å; H271-H282 PolarHBondContact N-O 2.85Å; H271-H282 WeakPolarHBondContact ND1-CB 3.09Å; H271-H282 AromaticContact ND1-CD2 3.89Å; H271-H282 AromaticContact ND1-CG 3.87Å; H271-H282 AromaticContact NE2-CD2 3.04Å; H271-H282 PolarHBondContact NE2-CD2 2.86Å; H271-H282 AromaticContact NE2-CG 3.59Å; H271-H282 AromaticContact NE2-NE2 3.62Å; H271-H282 WeakPolarHBondContact O-CB 3.29Å; H271-H282 PolarHBondContact O-N 3.29Å
272	I	95	Very high	93.8	Very high	29 Å²	29	51.7 Å²	51.7	15%	0.149	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137.6	-177.6	-60.3	173.1	0	0	0	108.1	I249 W266 I269 F279 I281 L306 C309	I249-I272 HydrophobicContact CD1-CD1 4.19Å; W266-I272 HydrophobicContact CZ3-CD1 4.15Å; I269-I272 HydrophobicContact CG2-CD1 3.98Å; I269-I272 HydrophobicContact CG2-CG1 3.76Å; I272-F279 HydrophobicContact CG2-CD1 4.17Å; I272-F279 HydrophobicContact CG2-CE1 3.15Å; I272-F279 HydrophobicContact CG2-CE2 4.39Å; I272-F279 HydrophobicContact CG2-CZ 3.28Å; I272-I281 HydrophobicContact CG1-CG1 4.33Å; I272-I281 HydrophobicContact CG1-CG2 4.29Å; I272-I281 HydrophobicContact CG2-CG1 4.35Å; I272-L306 HydrophobicContact CB-CD1 4.12Å; I272-L306 HydrophobicContact CG2-CD1 3.76Å; I272-C309 HydrophobicContact CD1-CB 3.47Å; I272-C309 VanDerWaalsContact CD1-CB 3.47Å
273	S	93.9	Very high	93.6	Very high	36 Å²	36	52 Å²	52	25%	0.252	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	163.1	177.7	68.5	0	0	0	0	111	M280	S273-M280 PolarHBondContact N-O 3.38Å; S273-M280 PolarHBondContact O-N 3.02Å; S273-M280 VanDerWaalsContact O-O 3.11Å; S273-M280 WeakPolarHBondContact OG-CE 3.15Å
274	F	94.4	Very high	93.2	Very high	55 Å²	55	59.2 Å²	59.2	24%	0.241	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	151.5	167.5	74.7	-91.5	0	0	0	110.2	K278 F279 V299 N302 K303 L306	F274-K278 CarbonylContact C-O 3.51Å; F274-K278 VanDerWaalsContact CA-O 3.22Å; F274-K278 WeakPolarHBondContact CA-O 3.34Å; F274-K278 WeakPolarHBondContact CB-O 3.29Å; F274-F279 HydrophobicContact CB-CB 4.36Å; F274-F279 HydrophobicContact CB-CD2 3.62Å; F274-F279 HydrophobicContact CB-CE2 4.22Å; F274-F279 HydrophobicContact CB-CG 4.17Å; F274-F279 HydrophobicContact CD1-CD2 4.46Å; F274-F279 HydrophobicContact CD1-CE2 4.32Å; F274-F279 HydrophobicContact CG-CD2 4.32Å; F274-V299 HydrophobicContact CE2-CG1 3.9Å; F274-N302 HydrophobicContact CB-CB 4.31Å; F274-N302 HydrophobicContact CD1-CB 4.12Å; F274-N302 HydrophobicContact CD2-CB 3.74Å; F274-N302 HydrophobicContact CE1-CB 4.39Å; F274-N302 HydrophobicContact CE2-CB 4.05Å; F274-N302 HydrophobicContact CG-CB 3.79Å; F274-N302 HydrophobicContact CZ-CB 4.37Å; F274-K303 HydrophobicContact CE1-CG 4.3Å; F274-K303 HydrophobicContact CZ-CG 3.77Å; F274-L306 HydrophobicContact CD1-CB 4.31Å; F274-L306 HydrophobicContact CD1-CD2 3.93Å; F274-L306 HydrophobicContact CE1-CB 4.33Å; F274-L306 HydrophobicContact CE1-CD2 3.71Å
275	K	93.5	Very high	92.5	Very high	151 Å²	151	62.3 Å²	62.3	66%	0.657	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	118.6	171.1	-174.9	179.2	178.1	-177.4	0	107.9	K277 K278	K275-K277 PolarHBondContact O-N 3.44Å; K275-K277 VanDerWaalsContact O-N 3.16Å; K275-K278 PolarHBondContact N-O 2.88Å; K275-K278 PolarHBondContact O-N 3.46Å
276	E	91.3	Very high	91.2	Very high	142 Å²	142	70.5 Å²	70.5	66%	0.664	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	-116.7	-174.6	-59.7	166	-158.5	0	0	111	N302	E276-N302 PolarHBondContact O-ND2 2.93Å
277	K	92.5	Very high	90.1	Very high	118 Å²	118	72.5 Å²	72.5	51%	0.513	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-14.7	178.2	-64.7	-168.9	-178.8	-164.9	0	113.8	K275 T295 C296 Q297 N302	K275-K277 PolarHBondContact O-N 3.44Å; K275-K277 VanDerWaalsContact O-N 3.16Å; K277-T295 WeakPolarHBondContact O-CA 3.29Å; K277-C296 PolarHBondContact O-N 3.2Å; K277-C296 VanDerWaalsContact O-N 3.16Å; K277-Q297 WeakPolarHBondContact CE-O 3.46Å; K277-Q297 PolarHBondContact NZ-O 3.17Å; K277-Q297 VanDerWaalsContact NZ-O 3.14Å; K277-N302 VanDerWaalsContact C-ND2 3.34Å; K277-N302 WeakPolarHBondContact CA-ND2 3.3Å; K277-N302 PolarHBondContact O-ND2 3.3Å
278	K	94	Very high	88.7	Confident	109 Å²	109	77 Å²	77	47%	0.474	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.9	-175.9	-173.6	179.1	-178.5	179.8	0	110.9	F274 K275 M280 F294	F274-K278 CarbonylContact C-O 3.51Å; F274-K278 VanDerWaalsContact CA-O 3.22Å; F274-K278 WeakPolarHBondContact CA-O 3.34Å; F274-K278 WeakPolarHBondContact CB-O 3.29Å; K275-K278 PolarHBondContact N-O 2.88Å; K275-K278 PolarHBondContact O-N 3.46Å; K278-M280 HydrophobicContact CG-CG 4.38Å; K278-F294 WeakPolarHBondContact CA-O 3.47Å
279	F	96.3	Very high	87.6	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	143.5	175.4	-155.7	-85.4	0	0	0	110	I272 F274 I281 A293 F294 N302 I305 L306	I272-F279 HydrophobicContact CG2-CD1 4.17Å; I272-F279 HydrophobicContact CG2-CE1 3.15Å; I272-F279 HydrophobicContact CG2-CE2 4.39Å; I272-F279 HydrophobicContact CG2-CZ 3.28Å; F274-F279 HydrophobicContact CB-CB 4.36Å; F274-F279 HydrophobicContact CB-CD2 3.62Å; F274-F279 HydrophobicContact CB-CE2 4.22Å; F274-F279 HydrophobicContact CB-CG 4.17Å; F274-F279 HydrophobicContact CD1-CD2 4.46Å; F274-F279 HydrophobicContact CD1-CE2 4.32Å; F274-F279 HydrophobicContact CG-CD2 4.32Å; F279-I281 HydrophobicContact CD1-CG1 4.12Å; F279-I281 HydrophobicContact CE1-CD1 4.46Å; F279-I281 HydrophobicContact CE1-CG1 3.92Å; F279-A293 WeakPolarHBondContact O-CA 3.31Å; F279-F294 HydrophobicContact CB-CD1 4.38Å; F279-F294 HydrophobicContact CB-CD2 3.76Å; F279-F294 HydrophobicContact CB-CE1 4.03Å; F279-F294 HydrophobicContact CB-CE2 3.35Å; F279-F294 HydrophobicContact CB-CG 4.26Å; F279-F294 HydrophobicContact CB-CZ 3.5Å; F279-F294 AromaticContact CD1-CE1 3.52Å; F279-F294 HydrophobicContact CD1-CE1 3.52Å; F279-F294 AromaticContact CD1-CE2 3.92Å; F279-F294 HydrophobicContact CD1-CE2 3.92Å; F279-F294 AromaticContact CD1-CZ 3.14Å; F279-F294 HydrophobicContact CD1-CZ 3.14Å; F279-F294 HydrophobicContact CD2-CE2 4.39Å; F279-F294 HydrophobicContact CD2-CZ 4.3Å; F279-F294 HydrophobicContact CE1-CE1 4.31Å; F279-F294 AromaticContact CE1-CZ 3.85Å; F279-F294 HydrophobicContact CE1-CZ 3.85Å; F279-F294 HydrophobicContact CG-CE1 4.09Å; F279-F294 AromaticContact CG-CE2 3.66Å; F279-F294 HydrophobicContact CG-CE2 3.66Å; F279-F294 AromaticContact CG-CZ 3.4Å; F279-F294 HydrophobicContact CG-CZ 3.4Å; F279-F294 VanDerWaalsContact CG-CZ 3.4Å; F279-F294 PolarHBondContact N-O 3.4Å; F279-F294 PolarHBondContact O-N 3.33Å; F279-F294 VanDerWaalsContact O-N 3.11Å; F279-N302 HydrophobicContact CD2-CB 4.13Å; F279-I305 HydrophobicContact CD2-CG2 4.46Å; F279-I305 HydrophobicContact CE1-CG2 4.08Å; F279-I305 HydrophobicContact CE2-CB 3.98Å; F279-I305 HydrophobicContact CE2-CG2 3.73Å; F279-I305 HydrophobicContact CZ-CB 4.22Å; F279-I305 HydrophobicContact CZ-CG2 3.5Å; F279-I305 VanDerWaalsContact CZ-CG2 3.5Å; F279-L306 HydrophobicContact CE2-CB 4.15Å; F279-L306 HydrophobicContact CZ-CB 4.37Å; F279-L306 HydrophobicContact CZ-CD1 4.49Å
280	M	94.8	Very high	87.2	Confident	42 Å²	42	80 Å²	80	21%	0.207	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	120.1	-174.6	-63.8	179.7	-62.2	0	0	110.4	S273 K278 T291 V292 A293	S273-M280 PolarHBondContact N-O 3.38Å; S273-M280 PolarHBondContact O-N 3.02Å; S273-M280 VanDerWaalsContact O-O 3.11Å; S273-M280 WeakPolarHBondContact OG-CE 3.15Å; K278-M280 HydrophobicContact CG-CG 4.38Å; M280-T291 HydrophobicContact CB-CG2 3.96Å; M280-T291 HydrophobicContact CG-CG2 4.35Å; M280-V292 WeakPolarHBondContact CA-O 3.42Å; M280-A293 HydrophobicContact CG-CB 4.41Å
281	I	94.6	Very high	87.2	Confident	1 Å²	1	76.2 Å²	76.2	1%	0.005	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112	173.1	-59.2	162.9	0	0	0	107.2	I249 I269 I272 F279 T291 V292 F294	I249-I281 HydrophobicContact CD1-CD1 3.62Å; I249-I281 HydrophobicContact CD1-CG1 4.33Å; I249-I281 HydrophobicContact CG2-CD1 4.11Å; I269-I281 HydrophobicContact CD1-CG2 4.17Å; I269-I281 HydrophobicContact CG1-CG2 3.96Å; I269-I281 HydrophobicContact CG2-CG2 4.06Å; I272-I281 HydrophobicContact CG1-CG1 4.33Å; I272-I281 HydrophobicContact CG1-CG2 4.29Å; I272-I281 HydrophobicContact CG2-CG1 4.35Å; F279-I281 HydrophobicContact CD1-CG1 4.12Å; F279-I281 HydrophobicContact CE1-CD1 4.46Å; F279-I281 HydrophobicContact CE1-CG1 3.92Å; I281-T291 CarbonylContact O-C 3.54Å; I281-T291 WeakPolarHBondContact O-CA 2.99Å; I281-V292 HydrophobicContact CB-CB 4.22Å; I281-V292 PolarHBondContact N-O 3.49Å; I281-V292 PolarHBondContact O-N 2.92Å; I281-F294 HydrophobicContact CD1-CE1 3.87Å; I281-F294 HydrophobicContact CG1-CE1 4.42Å
282	H	92.3	Very high	87.2	Confident	37 Å²	37	71.9 Å²	71.9	17%	0.171	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.7	179	-58.3	-80.7	0	0	0	109.8	K270 H271 T291	K270-H282 WeakPolarHBondContact CB-O 3.47Å; K270-H282 PolarHBondContact N-O 3Å; H271-H282 AromaticContact CD2-CD2 3.59Å; H271-H282 WeakPolarHBondContact CE1-CB 3.4Å; H271-H282 AromaticContact CE1-CD2 3.25Å; H271-H282 PolarHBondContact CE1-CD2 2.65Å; H271-H282 AromaticContact CE1-CG 3.28Å; H271-H282 PolarHBondContact N-O 2.85Å; H271-H282 WeakPolarHBondContact ND1-CB 3.09Å; H271-H282 AromaticContact ND1-CD2 3.89Å; H271-H282 AromaticContact ND1-CG 3.87Å; H271-H282 AromaticContact NE2-CD2 3.04Å; H271-H282 PolarHBondContact NE2-CD2 2.86Å; H271-H282 AromaticContact NE2-CG 3.59Å; H271-H282 AromaticContact NE2-NE2 3.62Å; H271-H282 WeakPolarHBondContact O-CB 3.29Å; H271-H282 PolarHBondContact O-N 3.29Å; H282-T291 WeakPolarHBondContact ND1-CG2 3.39Å; H282-T291 PolarHBondContact ND1-OG1 3.23Å
283	T	90.7	Very high	87.2	Confident	5 Å²	5	71 Å²	71	3%	0.031	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	171.6	179.1	65.1	0	0	0	0	111.7	E268 D285 S290 T622	E268-T283 CarbonylContact O-C 3.49Å; E268-T283 WeakPolarHBondContact O-CA 3.13Å; E268-T283 WeakPolarHBondContact O-CB 3.45Å; T283-D285 PolarHBondContact O-N 3.42Å; T283-S290 PolarHBondContact N-O 3.08Å; T283-S290 WeakPolarHBondContact OG1-CB 3.46Å; T283-S290 PolarHBondContact OG1-O 2.85Å; T283-T622 HydrophobicContact CG2-CG2 3.63Å; T283-T622 WeakPolarHBondContact OG1-CG2 3.27Å
284	W	86.6	Confident	87.3	Confident	160 Å²	160	69.4 Å²	69.4	61%	0.606	33%	0.329	S	S	*	.	S	Bend	trans	-69.7	-15.3	177.8	-74.4	106.8	0	0	0	114.3	E268 I269 K270 K286	E268-W284 PolarHBondContact O-N 3.34Å; I269-W284 PolarHBondContact O-NE1 3.43Å; K270-W284 HydrophobicContact CB-CD2 3.87Å; K270-W284 HydrophobicContact CB-CE3 4.24Å; K270-W284 HydrophobicContact CB-CG 4.18Å; K270-W284 HydrophobicContact CB-CZ2 4.33Å; K270-W284 HydrophobicContact CD-CD2 4.33Å; K270-W284 HydrophobicContact CD-CE3 3.84Å; K270-W284 HydrophobicContact CD-CH2 4.49Å; K270-W284 HydrophobicContact CD-CZ3 3.93Å; K270-W284 HydrophobicContact CG-CD2 4.03Å; K270-W284 HydrophobicContact CG-CE3 3.92Å; K270-W284 HydrophobicContact CG-CH2 3.97Å; K270-W284 HydrophobicContact CG-CZ2 4.06Å; K270-W284 HydrophobicContact CG-CZ3 3.9Å; W284-K286 PolarHBondContact O-N 3.45Å
285	D	80.8	Confident	87.4	Confident	67 Å²	67	68.8 Å²	68.8	36%	0.358	33%	0.33	S	S	.	.			trans	-62.6	127.6	175.1	179.8	12.8	0	0	0	110	T283 S287 S290	T283-D285 PolarHBondContact O-N 3.42Å; D285-S287 PolarHBondContact O-N 3.46Å; D285-S287 PolarHBondContact OD1-N 2.86Å; D285-S287 PolarHBondContact OD2-OG 3.04Å; D285-S290 WeakPolarHBondContact O-CB 3.43Å; D285-S290 PolarHBondContact O-OG 2.92Å
286	K	67.9	Low	87.4	Confident	206 Å²	206	61.8 Å²	61.8	90%	0.896	30%	0.3	S	S	*	.			trans	-78.8	-2.8	-178	-63.9	-176.2	-177.6	177.8	0	112.8	W284	W284-K286 PolarHBondContact O-N 3.45Å
287	S	71.4	Confident	87.1	Confident	41 Å²	41	61.3 Å²	61.3	29%	0.287	30%	0.298	S	S	.	.	S	Bend	trans	-66.7	143.4	175.3	80.2	0	0	0	0	111.4	D285 N289 S290	D285-S287 PolarHBondContact O-N 3.46Å; D285-S287 PolarHBondContact OD1-N 2.86Å; D285-S287 PolarHBondContact OD2-OG 3.04Å; S287-N289 PolarHBondContact O-N 3.42Å; S287-S290 WeakPolarHBondContact O-CB 3.45Å; S287-S290 PolarHBondContact O-N 3.45Å; S287-S290 VanDerWaalsContact O-N 3.09Å; S287-S290 PolarHBondContact O-OG 3.38Å
288	N	63.8	Low	86.7	Confident	162 Å²	162	59.3 Å²	59.3	87%	0.866	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-14.2	175.7	-75.6	-11.9	0	0	0	113.4
289	N	70.1	Confident	86.4	Confident	101 Å²	101	56.6 Å²	56.6	54%	0.54	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	19.9	-178.8	-66.2	-6.3	0	0	0	112.5	S287 T291 I626	S287-N289 PolarHBondContact O-N 3.42Å; N289-T291 VanDerWaalsContact C-N 3.3Å; N289-T291 PolarHBondContact O-N 2.87Å; N289-I626 WeakPolarHBondContact O-CD1 3.42Å
290	S	84.2	Confident	86	Confident	12 Å²	12	59.2 Å²	59.2	8%	0.084	31%	0.307	C	S	.	.			trans	-91.3	15.1	-177.7	72.3	0	0	0	0	114.3	T283 D285 S287	T283-S290 PolarHBondContact N-O 3.08Å; T283-S290 WeakPolarHBondContact OG1-CB 3.46Å; T283-S290 PolarHBondContact OG1-O 2.85Å; D285-S290 WeakPolarHBondContact O-CB 3.43Å; D285-S290 PolarHBondContact O-OG 2.92Å; S287-S290 WeakPolarHBondContact O-CB 3.45Å; S287-S290 PolarHBondContact O-N 3.45Å; S287-S290 VanDerWaalsContact O-N 3.09Å; S287-S290 PolarHBondContact O-OG 3.38Å
291	T	90.9	Very high	85.7	Confident	34 Å²	34	59.4 Å²	59.4	21%	0.209	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.9	-177.3	-55.6	0	0	0	0	111	M280 I281 H282 N289	M280-T291 HydrophobicContact CB-CG2 3.96Å; M280-T291 HydrophobicContact CG-CG2 4.35Å; I281-T291 CarbonylContact O-C 3.54Å; I281-T291 WeakPolarHBondContact O-CA 2.99Å; H282-T291 WeakPolarHBondContact ND1-CG2 3.39Å; H282-T291 PolarHBondContact ND1-OG1 3.23Å; N289-T291 VanDerWaalsContact C-N 3.3Å; N289-T291 PolarHBondContact O-N 2.87Å
292	V	92.7	Very high	85.6	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.012	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	121.8	167.6	-175.2	0	0	0	0	107.3	F264 M280 I281 F294 I626 F629	F264-V292 HydrophobicContact CD1-CG2 4.24Å; F264-V292 HydrophobicContact CD2-CG2 4.4Å; F264-V292 HydrophobicContact CE1-CG2 3.66Å; F264-V292 HydrophobicContact CE2-CG2 3.84Å; F264-V292 HydrophobicContact CZ-CG2 3.43Å; F264-V292 VanDerWaalsContact CZ-CG2 3.43Å; M280-V292 WeakPolarHBondContact CA-O 3.42Å; I281-V292 HydrophobicContact CB-CB 4.22Å; I281-V292 PolarHBondContact N-O 3.49Å; I281-V292 PolarHBondContact O-N 2.92Å; V292-F294 HydrophobicContact CG1-CD1 4.47Å; V292-I626 HydrophobicContact CG2-CD1 4.22Å; V292-I626 HydrophobicContact CG2-CG1 3.71Å; V292-F629 HydrophobicContact CG1-CD1 3.8Å; V292-F629 HydrophobicContact CG1-CE1 3.78Å; V292-F629 HydrophobicContact CG1-CG 4.43Å; V292-F629 HydrophobicContact CG1-CZ 4.4Å
293	A	94.2	Very high	85.5	Confident	10 Å²	10	63.4 Å²	63.4	8%	0.083	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128.3	-178.9	0	0	0	0	0	111.3	F279 M280	F279-A293 WeakPolarHBondContact O-CA 3.31Å; M280-A293 HydrophobicContact CG-CB 4.41Å
294	F	96	Very high	85.5	Confident	3 Å²	3	64.5 Å²	64.5	1%	0.013	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	168.1	179.6	60	-95.8	0	0	0	111.2	I232 H233 L242 K278 F279 I281 V292 I305 F629	I232-F294 HydrophobicContact CB-CB 4.27Å; I232-F294 HydrophobicContact CB-CD2 3.78Å; I232-F294 HydrophobicContact CB-CE2 4.43Å; I232-F294 HydrophobicContact CB-CG 4.22Å; I232-F294 HydrophobicContact CD1-CB 4.03Å; I232-F294 HydrophobicContact CD1-CD1 4.32Å; I232-F294 HydrophobicContact CD1-CD2 4.3Å; I232-F294 HydrophobicContact CD1-CG 3.99Å; I232-F294 HydrophobicContact CG2-CD2 3.48Å; I232-F294 VanDerWaalsContact CG2-CD2 3.48Å; I232-F294 HydrophobicContact CG2-CE2 3.64Å; I232-F294 HydrophobicContact CG2-CG 4.27Å; H233-F294 CarbonylContact O-C 3.5Å; H233-F294 WeakPolarHBondContact O-CA 3.39Å; H233-F294 VanDerWaalsContact O-CB 3.26Å; H233-F294 WeakPolarHBondContact O-CB 3.41Å; L242-F294 HydrophobicContact CD1-CE1 4.03Å; L242-F294 HydrophobicContact CD1-CZ 4.19Å; L242-F294 HydrophobicContact CD2-CE1 4.22Å; L242-F294 HydrophobicContact CD2-CE2 4.12Å; L242-F294 HydrophobicContact CD2-CZ 3.55Å; L242-F294 HydrophobicContact CG-CZ 4.45Å; K278-F294 WeakPolarHBondContact CA-O 3.47Å; F279-F294 HydrophobicContact CB-CD1 4.38Å; F279-F294 HydrophobicContact CB-CD2 3.76Å; F279-F294 HydrophobicContact CB-CE1 4.03Å; F279-F294 HydrophobicContact CB-CE2 3.35Å; F279-F294 HydrophobicContact CB-CG 4.26Å; F279-F294 HydrophobicContact CB-CZ 3.5Å; F279-F294 AromaticContact CD1-CE1 3.52Å; F279-F294 HydrophobicContact CD1-CE1 3.52Å; F279-F294 AromaticContact CD1-CE2 3.92Å; F279-F294 HydrophobicContact CD1-CE2 3.92Å; F279-F294 AromaticContact CD1-CZ 3.14Å; F279-F294 HydrophobicContact CD1-CZ 3.14Å; F279-F294 HydrophobicContact CD2-CE2 4.39Å; F279-F294 HydrophobicContact CD2-CZ 4.3Å; F279-F294 HydrophobicContact CE1-CE1 4.31Å; F279-F294 AromaticContact CE1-CZ 3.85Å; F279-F294 HydrophobicContact CE1-CZ 3.85Å; F279-F294 HydrophobicContact CG-CE1 4.09Å; F279-F294 AromaticContact CG-CE2 3.66Å; F279-F294 HydrophobicContact CG-CE2 3.66Å; F279-F294 AromaticContact CG-CZ 3.4Å; F279-F294 HydrophobicContact CG-CZ 3.4Å; F279-F294 VanDerWaalsContact CG-CZ 3.4Å; F279-F294 PolarHBondContact N-O 3.4Å; F279-F294 PolarHBondContact O-N 3.33Å; F279-F294 VanDerWaalsContact O-N 3.11Å; I281-F294 HydrophobicContact CD1-CE1 3.87Å; I281-F294 HydrophobicContact CG1-CE1 4.42Å; V292-F294 HydrophobicContact CG1-CD1 4.47Å; F294-I305 HydrophobicContact CE2-CD1 4.4Å; F294-F629 HydrophobicContact CB-CZ 4.01Å
295	T	96.6	Very high	85.9	Confident	42 Å²	42	56.9 Å²	56.9	26%	0.258	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.9	175.6	63.2	0	0	0	0	111.1	I232 H233 K277	I232-T295 CarbonylContact C-O 3.58Å; I232-T295 WeakPolarHBondContact CA-O 3.4Å; H233-T295 PolarHBondContact N-O 3.28Å; H233-T295 PolarHBondContact O-N 3.45Å; K277-T295 WeakPolarHBondContact O-CA 3.29Å
296	C	92.9	Very high	86.6	Confident	4 Å²	4	55.5 Å²	55.5	3%	0.027	30%	0.297	C	S	.	.			trans	-110.8	160.5	171.2	-67.3	0	0	0	0	110.6	K277 N298 V301 N302	K277-C296 PolarHBondContact O-N 3.2Å; K277-C296 VanDerWaalsContact O-N 3.16Å; C296-N298 VanDerWaalsContact C-N 3.33Å; C296-N298 PolarHBondContact O-N 3.43Å; C296-V301 HydrophobicContact CB-CB 4.48Å; C296-V301 HydrophobicContact CB-CG1 4.43Å; C296-N302 WeakPolarHBondContact CB-OD1 3.48Å; C296-N302 PolarHBondContact SG-OD1 2.93Å
297	Q	85.5	Confident	87.8	Confident	131 Å²	131	49.6 Å²	49.6	61%	0.612	27%	0.273	S	S	*	.	S	Bend	trans	-62.2	-38.8	-177.6	-64.8	-179.9	-2.8	0	0	112.9	K277	K277-Q297 WeakPolarHBondContact CE-O 3.46Å; K277-Q297 PolarHBondContact NZ-O 3.17Å; K277-Q297 VanDerWaalsContact NZ-O 3.14Å
298	N	84.1	Confident	89	Confident	77 Å²	77	47.7 Å²	47.7	41%	0.412	26%	0.26	S	S	.	.			trans	-138.3	143.9	-174.5	-173.6	-10.3	0	0	0	111.6	C296 A300 V301	C296-N298 VanDerWaalsContact C-N 3.33Å; C296-N298 PolarHBondContact O-N 3.43Å; N298-A300 PolarHBondContact O-N 3.38Å; N298-A300 PolarHBondContact OD1-N 3.18Å; N298-A300 VanDerWaalsContact OD1-N 3.11Å; N298-V301 HydrophobicContact CB-CG2 4.4Å; N298-V301 WeakPolarHBondContact O-CB 3.35Å; N298-V301 PolarHBondContact O-N 3.01Å; N298-V301 VanDerWaalsContact O-N 3.1Å
299	V	89	Confident	90.5	Very high	52 Å²	52	40 Å²	40	32%	0.315	22%	0.218	S	C	.	.	H	α-helix	trans	-58.7	-31.1	175	-174.4	0	0	0	0	112.3	F274 V301 N302 K303	F274-V299 HydrophobicContact CE2-CG1 3.9Å; V299-V301 VanDerWaalsContact C-N 3.28Å; V299-V301 PolarHBondContact O-N 3.49Å; V299-N302 WeakPolarHBondContact O-CB 3.36Å; V299-N302 PolarHBondContact O-N 2.91Å; V299-K303 PolarHBondContact O-N 3.25Å
300	A	86.5	Confident	91.8	Very high	55 Å²	55	39.3 Å²	39.3	46%	0.455	21%	0.214	S	C	.	.	H	α-helix	trans	-59.4	-40.2	175.4	0	0	0	0	0	112	N298 N302 K303 V304	N298-A300 PolarHBondContact O-N 3.38Å; N298-A300 PolarHBondContact OD1-N 3.18Å; N298-A300 VanDerWaalsContact OD1-N 3.11Å; A300-N302 PolarHBondContact O-N 3.38Å; A300-K303 WeakPolarHBondContact O-CB 3.43Å; A300-K303 PolarHBondContact O-N 3.47Å; A300-V304 PolarHBondContact O-N 2.91Å
301	V	89.2	Confident	92.3	Very high	45 Å²	45	39.3 Å²	39.3	27%	0.273	22%	0.216	S	C	.	.	H	α-helix	trans	-65.1	-41.3	177.4	-179.8	0	0	0	0	110.7	F230 C296 N298 V299 K303 V304 I305	F230-V301 HydrophobicContact CD1-CG1 3.73Å; F230-V301 HydrophobicContact CE1-CG1 4.41Å; C296-V301 HydrophobicContact CB-CB 4.48Å; C296-V301 HydrophobicContact CB-CG1 4.43Å; N298-V301 HydrophobicContact CB-CG2 4.4Å; N298-V301 WeakPolarHBondContact O-CB 3.35Å; N298-V301 PolarHBondContact O-N 3.01Å; N298-V301 VanDerWaalsContact O-N 3.1Å; V299-V301 VanDerWaalsContact C-N 3.28Å; V299-V301 PolarHBondContact O-N 3.49Å; V301-K303 VanDerWaalsContact C-N 3.25Å; V301-K303 PolarHBondContact O-N 3.44Å; V301-V304 PolarHBondContact O-N 2.95Å; V301-V304 VanDerWaalsContact O-N 3.15Å; V301-I305 HydrophobicContact CG1-CD1 3.85Å; V301-I305 HydrophobicContact CG1-CG1 4.23Å; V301-I305 WeakPolarHBondContact O-CG1 3.4Å; V301-I305 PolarHBondContact O-N 3.39Å
302	N	92.6	Very high	92.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.5	-36.3	176	-76.1	-20.7	0	0	0	112.7	F274 E276 K277 F279 C296 V299 A300 L306	F274-N302 HydrophobicContact CB-CB 4.31Å; F274-N302 HydrophobicContact CD1-CB 4.12Å; F274-N302 HydrophobicContact CD2-CB 3.74Å; F274-N302 HydrophobicContact CE1-CB 4.39Å; F274-N302 HydrophobicContact CE2-CB 4.05Å; F274-N302 HydrophobicContact CG-CB 3.79Å; F274-N302 HydrophobicContact CZ-CB 4.37Å; E276-N302 PolarHBondContact O-ND2 2.93Å; K277-N302 VanDerWaalsContact C-ND2 3.34Å; K277-N302 WeakPolarHBondContact CA-ND2 3.3Å; K277-N302 PolarHBondContact O-ND2 3.3Å; F279-N302 HydrophobicContact CD2-CB 4.13Å; C296-N302 WeakPolarHBondContact CB-OD1 3.48Å; C296-N302 PolarHBondContact SG-OD1 2.93Å; V299-N302 WeakPolarHBondContact O-CB 3.36Å; V299-N302 PolarHBondContact O-N 2.91Å; A300-N302 PolarHBondContact O-N 3.38Å; N302-L306 WeakPolarHBondContact O-CB 3.26Å; N302-L306 PolarHBondContact O-N 2.86Å
303	K	90.7	Very high	92.7	Very high	122 Å²	122	39.7 Å²	39.7	53%	0.53	22%	0.216	S	C	.	.	H	α-helix	trans	-64.5	-47.1	175.3	-67.7	-178.6	178.8	-174.6	0	111.6	F274 V299 A300 V301 L306 E307	F274-K303 HydrophobicContact CE1-CG 4.3Å; F274-K303 HydrophobicContact CZ-CG 3.77Å; V299-K303 PolarHBondContact O-N 3.25Å; A300-K303 WeakPolarHBondContact O-CB 3.43Å; A300-K303 PolarHBondContact O-N 3.47Å; V301-K303 VanDerWaalsContact C-N 3.25Å; V301-K303 PolarHBondContact O-N 3.44Å; K303-L306 PolarHBondContact O-N 2.8Å; K303-E307 WeakPolarHBondContact O-CG 3.17Å; K303-E307 PolarHBondContact O-N 3.45Å
304	V	90.7	Very high	92.8	Very high	29 Å²	29	43.7 Å²	43.7	18%	0.176	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-46.3	178.1	178.1	0	0	0	0	111.2	F230 A300 V301 L306 E307 L308	F230-V304 HydrophobicContact CE1-CG1 4.13Å; F230-V304 HydrophobicContact CZ-CG1 4.19Å; A300-V304 PolarHBondContact O-N 2.91Å; V301-V304 PolarHBondContact O-N 2.95Å; V301-V304 VanDerWaalsContact O-N 3.15Å; V304-L306 VanDerWaalsContact C-N 3.34Å; V304-L306 PolarHBondContact O-N 2.98Å; V304-E307 PolarHBondContact O-N 2.86Å; V304-L308 HydrophobicContact CG1-CD1 4.05Å; V304-L308 WeakPolarHBondContact O-CG 3.38Å; V304-L308 PolarHBondContact O-N 3.24Å
305	I	94.5	Very high	92.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-47.3	176.2	-64.7	170.5	0	0	0	110.3	F230 L242 V244 F279 F294 V301 E307 L308 C309	F230-I305 HydrophobicContact CB-CD1 3.81Å; F230-I305 HydrophobicContact CB-CG1 4.21Å; F230-I305 HydrophobicContact CD1-CD1 4.02Å; F230-I305 HydrophobicContact CD1-CG1 3.65Å; F230-I305 HydrophobicContact CD2-CD1 4.16Å; F230-I305 HydrophobicContact CD2-CG1 3.66Å; F230-I305 HydrophobicContact CE1-CG1 3.88Å; F230-I305 HydrophobicContact CE2-CG1 3.89Å; F230-I305 HydrophobicContact CG-CD1 3.71Å; F230-I305 HydrophobicContact CG-CG1 3.53Å; F230-I305 HydrophobicContact CZ-CG1 4.01Å; L242-I305 HydrophobicContact CD2-CD1 4.19Å; L242-I305 HydrophobicContact CD2-CG2 3.76Å; V244-I305 HydrophobicContact CG2-CG2 4.47Å; F279-I305 HydrophobicContact CD2-CG2 4.46Å; F279-I305 HydrophobicContact CE1-CG2 4.08Å; F279-I305 HydrophobicContact CE2-CB 3.98Å; F279-I305 HydrophobicContact CE2-CG2 3.73Å; F279-I305 HydrophobicContact CZ-CB 4.22Å; F279-I305 HydrophobicContact CZ-CG2 3.5Å; F279-I305 VanDerWaalsContact CZ-CG2 3.5Å; F294-I305 HydrophobicContact CE2-CD1 4.4Å; V301-I305 HydrophobicContact CG1-CD1 3.85Å; V301-I305 HydrophobicContact CG1-CG1 4.23Å; V301-I305 WeakPolarHBondContact O-CG1 3.4Å; V301-I305 PolarHBondContact O-N 3.39Å; I305-E307 PolarHBondContact O-N 3.44Å; I305-L308 PolarHBondContact O-N 2.92Å; I305-C309 WeakPolarHBondContact O-CB 3.34Å; I305-C309 PolarHBondContact O-N 2.76Å; I305-C309 PolarHBondContact O-SG 3.08Å
306	L	95	Very high	92.8	Very high	38 Å²	38	43.8 Å²	43.8	20%	0.199	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-46.2	-179.5	-178.9	65.5	0	0	0	111.6	I272 F274 F279 N302 K303 V304 C309 I310	I272-L306 HydrophobicContact CB-CD1 4.12Å; I272-L306 HydrophobicContact CG2-CD1 3.76Å; F274-L306 HydrophobicContact CD1-CB 4.31Å; F274-L306 HydrophobicContact CD1-CD2 3.93Å; F274-L306 HydrophobicContact CE1-CB 4.33Å; F274-L306 HydrophobicContact CE1-CD2 3.71Å; F279-L306 HydrophobicContact CE2-CB 4.15Å; F279-L306 HydrophobicContact CZ-CB 4.37Å; F279-L306 HydrophobicContact CZ-CD1 4.49Å; N302-L306 WeakPolarHBondContact O-CB 3.26Å; N302-L306 PolarHBondContact O-N 2.86Å; K303-L306 PolarHBondContact O-N 2.8Å; V304-L306 VanDerWaalsContact C-N 3.34Å; V304-L306 PolarHBondContact O-N 2.98Å; L306-C309 PolarHBondContact O-N 2.96Å; L306-I310 HydrophobicContact CD1-CD1 4Å; L306-I310 HydrophobicContact CD1-CG1 4.3Å; L306-I310 HydrophobicContact CD2-CD1 4.46Å; L306-I310 HydrophobicContact CG-CD1 3.83Å; L306-I310 HydrophobicContact CG-CG1 4.48Å; L306-I310 VanDerWaalsContact O-CG1 3.29Å; L306-I310 WeakPolarHBondContact O-CG1 3.44Å; L306-I310 PolarHBondContact O-N 3.18Å
307	E	93.4	Very high	92.9	Very high	81 Å²	81	47.7 Å²	47.7	38%	0.379	25%	0.253	S	S	.	.	H	α-helix	trans	-62.5	-42.6	178.7	-73.6	-178.6	-170.5	0	0	112.6	K107 K303 V304 I305 I310 G311	K107-E307 IonicContact NZ-OE2 3.74Å; K303-E307 WeakPolarHBondContact O-CG 3.17Å; K303-E307 PolarHBondContact O-N 3.45Å; V304-E307 PolarHBondContact O-N 2.86Å; I305-E307 PolarHBondContact O-N 3.44Å; E307-I310 PolarHBondContact O-N 2.78Å; E307-G311 PolarHBondContact O-N 3.31Å
308	L	95.6	Very high	93.4	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-64.5	-43.9	176	-71.5	171.5	0	0	0	111.4	K107 F108 H228 F230 V244 V304 I305 I310 G311 S312	K107-L308 HydrophobicContact CG-CD2 3.99Å; F108-L308 HydrophobicContact CE1-CD2 4.13Å; H228-L308 HydrophobicContact CB-CD1 3.97Å; F230-L308 HydrophobicContact CE2-CD1 3.93Å; F230-L308 HydrophobicContact CZ-CD1 3.51Å; V244-L308 HydrophobicContact CG1-CB 4.38Å; V304-L308 HydrophobicContact CG1-CD1 4.05Å; V304-L308 WeakPolarHBondContact O-CG 3.38Å; V304-L308 PolarHBondContact O-N 3.24Å; I305-L308 PolarHBondContact O-N 2.92Å; L308-I310 PolarHBondContact O-N 3.41Å; L308-G311 PolarHBondContact O-N 3Å; L308-S312 VanDerWaalsContact O-CB 3.3Å; L308-S312 WeakPolarHBondContact O-CB 3.49Å; L308-S312 PolarHBondContact O-N 3.4Å; L308-S312 PolarHBondContact O-OG 3.12Å; L308-S312 VanDerWaalsContact O-OG 3.09Å
309	C	97.3	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-43	176.7	-71.2	0	0	0	0	112.4	W266 I272 I305 L306 H313	W266-C309 HydrophobicContact CH2-CB 3.93Å; W266-C309 HydrophobicContact CZ3-CB 4.25Å; I272-C309 HydrophobicContact CD1-CB 3.47Å; I272-C309 VanDerWaalsContact CD1-CB 3.47Å; I305-C309 WeakPolarHBondContact O-CB 3.34Å; I305-C309 PolarHBondContact O-N 2.76Å; I305-C309 PolarHBondContact O-SG 3.08Å; L306-C309 PolarHBondContact O-N 2.96Å; C309-H313 WeakPolarHBondContact O-CB 3.4Å; C309-H313 PolarHBondContact O-N 2.97Å
310	I	95.3	Very high	94.1	Very high	86 Å²	86	48 Å²	48	44%	0.441	24%	0.237	S	C	.	.	H	α-helix	trans	-62.7	-47.4	177.3	-70.1	168.9	0	0	0	110.4	L306 E307 L308 H313 N314	L306-I310 HydrophobicContact CD1-CD1 4Å; L306-I310 HydrophobicContact CD1-CG1 4.3Å; L306-I310 HydrophobicContact CD2-CD1 4.46Å; L306-I310 HydrophobicContact CG-CD1 3.83Å; L306-I310 HydrophobicContact CG-CG1 4.48Å; L306-I310 VanDerWaalsContact O-CG1 3.29Å; L306-I310 WeakPolarHBondContact O-CG1 3.44Å; L306-I310 PolarHBondContact O-N 3.18Å; E307-I310 PolarHBondContact O-N 2.78Å; L308-I310 PolarHBondContact O-N 3.41Å; I310-H313 PolarHBondContact O-N 3.2Å; I310-N314 WeakPolarHBondContact O-CB 3.29Å; I310-N314 PolarHBondContact O-N 3.49Å; I310-N314 PolarHBondContact O-ND2 3.37Å
311	G	95.3	Very high	94.4	Very high	13 Å²	13	51.5 Å²	51.5	13%	0.134	24%	0.244	C	C	.	.	H	α-helix	trans	-64.5	-46.8	180	0	0	0	0	0	113	E307 L308 H313 N314 L315	E307-G311 PolarHBondContact O-N 3.31Å; L308-G311 PolarHBondContact O-N 3Å; G311-H313 PolarHBondContact O-N 3.05Å; G311-N314 PolarHBondContact O-N 2.9Å; G311-L315 PolarHBondContact O-N 2.99Å
312	S	96.9	Very high	94.5	Very high	7 Å²	7	54.7 Å²	54.7	5%	0.049	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-43.3	176.3	-66	0	0	0	0	112	L308 L315 Y316	L308-S312 VanDerWaalsContact O-CB 3.3Å; L308-S312 WeakPolarHBondContact O-CB 3.49Å; L308-S312 PolarHBondContact O-N 3.4Å; L308-S312 PolarHBondContact O-OG 3.12Å; L308-S312 VanDerWaalsContact O-OG 3.09Å; S312-L315 PolarHBondContact O-N 3.48Å; S312-Y316 WeakPolarHBondContact O-CB 3.48Å; S312-Y316 PolarHBondContact O-N 3.48Å
313	H	96.1	Very high	94.5	Very high	36 Å²	36	57.9 Å²	57.9	17%	0.167	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-39.9	177	-171.8	-164.1	0	0	0	112.1	W266 C309 I310 G311 L315 Y316 L317	W266-H313 HydrophobicContact CD2-CB 4.16Å; W266-H313 HydrophobicContact CE3-CB 3.7Å; W266-H313 AromaticContact CE3-CG 3.96Å; W266-H313 HydrophobicContact CZ3-CB 4.03Å; C309-H313 WeakPolarHBondContact O-CB 3.4Å; C309-H313 PolarHBondContact O-N 2.97Å; I310-H313 PolarHBondContact O-N 3.2Å; G311-H313 PolarHBondContact O-N 3.05Å; H313-L315 PolarHBondContact O-N 2.97Å; H313-Y316 WeakPolarHBondContact O-CB 3.4Å; H313-Y316 PolarHBondContact O-N 3.44Å; H313-L317 WeakPolarHBondContact O-CG 3.44Å; H313-L317 PolarHBondContact O-N 3.5Å
314	N	96.2	Very high	94.7	Very high	95 Å²	95	55.4 Å²	55.4	51%	0.508	28%	0.278	S	S	.	.	H	α-helix	trans	-62.9	-42.1	175.8	-76	-20.2	0	0	0	112.1	I310 G311 L317 R318	I310-N314 WeakPolarHBondContact O-CB 3.29Å; I310-N314 PolarHBondContact O-N 3.49Å; I310-N314 PolarHBondContact O-ND2 3.37Å; G311-N314 PolarHBondContact O-N 2.9Å; N314-L317 PolarHBondContact O-N 2.9Å; N314-R318 WeakPolarHBondContact O-CB 3.47Å; N314-R318 PolarHBondContact O-N 3.34Å
315	L	96.5	Very high	94.8	Very high	16 Å²	16	59.7 Å²	59.7	8%	0.084	30%	0.299	C	S	.	.	H	α-helix	trans	-65.1	-43.4	174.6	-75.8	172.3	0	0	0	111.7	W66 F108 G311 S312 H313 L317 R318 R319	W66-L315 HydrophobicContact CB-CD2 4.02Å; W66-L315 HydrophobicContact CG-CD2 4.13Å; F108-L315 HydrophobicContact CB-CD1 3.36Å; F108-L315 HydrophobicContact CD1-CD1 4.29Å; F108-L315 HydrophobicContact CD2-CD1 4.15Å; F108-L315 HydrophobicContact CG-CD1 3.69Å; G311-L315 PolarHBondContact O-N 2.99Å; S312-L315 PolarHBondContact O-N 3.48Å; H313-L315 PolarHBondContact O-N 2.97Å; L315-L317 VanDerWaalsContact C-N 3.32Å; L315-L317 PolarHBondContact O-N 2.86Å; L315-R318 PolarHBondContact O-N 3.25Å; L315-R319 WeakPolarHBondContact O-CG 3.24Å; L315-R319 PolarHBondContact O-N 2.78Å
316	Y	96	Very high	94.8	Very high	31 Å²	31	64.1 Å²	64.1	12%	0.122	32%	0.32	C	S	.	.	H	α-helix	trans	-53.1	-49.8	172.6	170.2	-88.4	0	0	0	111.1	W266 S267 S312 H313 R318 R319 R320	W266-Y316 HydrophobicContact CB-CD1 3.51Å; W266-Y316 HydrophobicContact CB-CD2 3.62Å; W266-Y316 HydrophobicContact CB-CE1 3.82Å; W266-Y316 HydrophobicContact CB-CE2 3.86Å; W266-Y316 HydrophobicContact CB-CG 3.44Å; W266-Y316 VanDerWaalsContact CB-CG 3.44Å; W266-Y316 AromaticContact CD1-CD2 3.71Å; W266-Y316 AromaticContact CD1-CG 3.84Å; W266-Y316 HydrophobicContact CG-CD1 4.38Å; W266-Y316 HydrophobicContact CG-CD2 4.04Å; W266-Y316 AromaticContact CG-CG 3.89Å; W266-Y316 HydrophobicContact CG-CG 3.89Å; S267-Y316 VanDerWaalsContact CB-OH 3.29Å; S267-Y316 WeakPolarHBondContact CB-OH 3.32Å; S312-Y316 WeakPolarHBondContact O-CB 3.48Å; S312-Y316 PolarHBondContact O-N 3.48Å; H313-Y316 WeakPolarHBondContact O-CB 3.4Å; H313-Y316 PolarHBondContact O-N 3.44Å; Y316-R318 PolarHBondContact O-N 3.34Å; Y316-R319 PolarHBondContact O-N 2.95Å; Y316-R320 VanDerWaalsContact CE2-NE 3.26Å; Y316-R320 WeakPolarHBondContact O-CD 3.44Å; Y316-R320 PolarHBondContact O-NH1 3.47Å; Y316-R320 PolarHBondContact OH-NE 2.95Å
317	L	95.2	Very high	94.8	Very high	85 Å²	85	62.6 Å²	62.6	45%	0.445	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	-41.7	178.6	-69.8	174.9	0	0	0	112.1	H313 N314 L315 R319 R320	H313-L317 WeakPolarHBondContact O-CG 3.44Å; H313-L317 PolarHBondContact O-N 3.5Å; N314-L317 PolarHBondContact O-N 2.9Å; L315-L317 VanDerWaalsContact C-N 3.32Å; L315-L317 PolarHBondContact O-N 2.86Å; L317-R319 VanDerWaalsContact C-N 3.34Å; L317-R319 PolarHBondContact O-N 3.09Å; L317-R320 PolarHBondContact O-N 3.37Å
318	R	94.6	Very high	94.8	Very high	93 Å²	93	63.6 Å²	63.6	35%	0.351	32%	0.317	S	S	.	.	H	α-helix	trans	-59.9	-41	178.1	-176.4	177.1	176.8	-173.4	-4.3	112.2	W66 N314 L315 Y316 R320 Q321	W66-R318 VanDerWaalsContact CZ3-NH2 3.31Å; N314-R318 WeakPolarHBondContact O-CB 3.47Å; N314-R318 PolarHBondContact O-N 3.34Å; L315-R318 PolarHBondContact O-N 3.25Å; Y316-R318 PolarHBondContact O-N 3.34Å; R318-R320 PolarHBondContact O-N 2.72Å; R318-Q321 WeakPolarHBondContact O-CB 3.39Å; R318-Q321 PolarHBondContact O-N 3.28Å
319	R	94.3	Very high	94.7	Very high	58 Å²	58	68.7 Å²	68.7	22%	0.219	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-23.7	178	-70.4	168.7	-174.9	126.8	5.3	114.3	F109 E111 E116 L315 Y316 L317 Q321	F109-R319 PolarHBondContact O-NH2 3.05Å; E111-R319 VanDerWaalsContact CD-CD 3.46Å; E111-R319 WeakPolarHBondContact OE1-CD 3.41Å; E111-R319 IonicContact OE1-CZ 3.4Å; E111-R319 IonicContact OE1-NE 3.77Å; E111-R319 IonicContact OE1-NH1 3.25Å; E111-R319 PolarHBondContact OE1-NH1 2.89Å; E116-R319 IonicContact OE1-CZ 2.91Å; E116-R319 IonicContact OE1-NE 2.69Å; E116-R319 PolarHBondContact OE1-NE 2.91Å; E116-R319 IonicContact OE1-NH2 3.89Å; E116-R319 IonicContact OE2-CZ 2.75Å; E116-R319 IonicContact OE2-NE 3.69Å; E116-R319 PolarHBondContact OE2-NE 3.36Å; E116-R319 IonicContact OE2-NH2 2.93Å; E116-R319 PolarHBondContact OE2-NH2 3.41Å; L315-R319 WeakPolarHBondContact O-CG 3.24Å; L315-R319 PolarHBondContact O-N 2.78Å; Y316-R319 PolarHBondContact O-N 2.95Å; L317-R319 VanDerWaalsContact C-N 3.34Å; L317-R319 PolarHBondContact O-N 3.09Å; R319-Q321 VanDerWaalsContact C-N 3.3Å
320	R	95	Very high	94.6	Very high	115 Å²	115	69 Å²	69	43%	0.434	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-1.6	175.5	-77.5	88.4	-168.9	133.4	10.4	112.8	E111 Y316 L317 R318	E111-R320 IonicContact OE1-CZ 3.86Å; E111-R320 IonicContact OE1-NH1 3.39Å; E111-R320 PolarHBondContact OE1-NH1 2.78Å; E111-R320 IonicContact OE1-NH2 2.67Å; E111-R320 IonicContact OE2-CZ 2.96Å; E111-R320 IonicContact OE2-NH1 3.97Å; E111-R320 PolarHBondContact OE2-NH1 3.05Å; E111-R320 IonicContact OE2-NH2 2.69Å; E111-R320 PolarHBondContact OE2-NH2 2.83Å; Y316-R320 VanDerWaalsContact CE2-NE 3.26Å; Y316-R320 WeakPolarHBondContact O-CD 3.44Å; Y316-R320 PolarHBondContact O-NH1 3.47Å; Y316-R320 PolarHBondContact OH-NE 2.95Å; L317-R320 PolarHBondContact O-N 3.37Å; R318-R320 PolarHBondContact O-N 2.72Å
321	Q	92.4	Very high	94.5	Very high	130 Å²	130	68.4 Å²	68.4	61%	0.607	34%	0.336	S	S	*	.	S	Bend	trans	-101.7	154.8	173.1	-59.6	-59.9	-37.2	0	0	109.8	R318 R319	R318-Q321 WeakPolarHBondContact O-CB 3.39Å; R318-Q321 PolarHBondContact O-N 3.28Å; R319-Q321 VanDerWaalsContact C-N 3.3Å
322	P	91.9	Very high	94.3	Very high	111 Å²	111	70.8 Å²	70.8	72%	0.721	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-56	145.6	170.3	-23.1	33.7	0	0	0	111.7	T324	P322-T324 PolarHBondContact O-N 3.04Å
323	D	92.3	Very high	94.1	Very high	68 Å²	68	77.8 Å²	77.8	36%	0.364	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-54.5	136.7	174.9	-78.9	-18.1	0	0	0	110.8	V327 Q328 K331	D323-V327 HydrophobicContact CB-CB 4.13Å; D323-V327 HydrophobicContact CB-CG1 3.9Å; D323-Q328 HydrophobicContact CB-CG 3.77Å; D323-Q328 PolarHBondContact O-NE2 2.75Å; D323-K331 IonicContact OD1-NZ 3.88Å; D323-K331 WeakPolarHBondContact OD2-CD 3.22Å; D323-K331 WeakPolarHBondContact OD2-CE 3.33Å; D323-K331 IonicContact OD2-NZ 2.69Å; D323-K331 PolarHBondContact OD2-NZ 3.25Å
324	T	94.3	Very high	93.7	Very high	70 Å²	70	76.8 Å²	76.8	43%	0.429	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-64.8	157	173.2	66.2	0	0	0	0	110.4	P322 E326 V327 Q328	P322-T324 PolarHBondContact O-N 3.04Å; T324-E326 PolarHBondContact O-N 3.13Å; T324-E326 VanDerWaalsContact O-N 3.11Å; T324-V327 PolarHBondContact O-N 3.16Å; T324-V327 WeakPolarHBondContact OG1-CG2 3.27Å; T324-V327 PolarHBondContact OG1-N 3.19Å; T324-Q328 WeakPolarHBondContact O-CG 3.38Å; T324-Q328 PolarHBondContact O-N 2.96Å
325	L	94	Very high	93.3	Very high	118 Å²	118	80.1 Å²	80.1	62%	0.618	39%	0.388	S	S	*	.	H	α-helix	trans	-52	-37.9	176.9	178.9	62.7	0	0	0	112	Q328 Q329	L325-Q328 PolarHBondContact O-N 3.48Å; L325-Q329 HydrophobicContact CD1-CG 4.43Å; L325-Q329 WeakPolarHBondContact O-CB 3.47Å; L325-Q329 VanDerWaalsContact O-CG 3.27Å; L325-Q329 WeakPolarHBondContact O-CG 3.45Å; L325-Q329 PolarHBondContact O-N 2.81Å
326	E	93.7	Very high	92.8	Very high	94 Å²	94	84.7 Å²	84.7	44%	0.439	41%	0.409	S	S	.	.	H	α-helix	trans	-63.1	-46.6	176.8	-168.1	-177.3	-177.1	0	0	112.5	R63 T324 Q329 M330	R63-E326 IonicContact CZ-OE1 3.9Å; R63-E326 IonicContact NE-OE1 3.46Å; R63-E326 IonicContact NH2-OE1 3.32Å; R63-E326 PolarHBondContact NH2-OE1 3.23Å; T324-E326 PolarHBondContact O-N 3.13Å; T324-E326 VanDerWaalsContact O-N 3.11Å; E326-Q329 PolarHBondContact O-N 3.06Å; E326-M330 HydrophobicContact CG-CE 4.16Å; E326-M330 WeakPolarHBondContact O-CG 3.19Å; E326-M330 PolarHBondContact O-N 3.32Å
327	V	94.2	Very high	92.2	Very high	6 Å²	6	85.1 Å²	85.1	4%	0.036	41%	0.413	C	S	.	.	H	α-helix	trans	-64.3	-42.1	177.4	173.5	0	0	0	0	110.7	W66 I118 D323 T324 Q329 M330 K331	W66-V327 HydrophobicContact CH2-CG2 3.85Å; W66-V327 HydrophobicContact CZ2-CG2 4.44Å; I118-V327 HydrophobicContact CD1-CG1 3.96Å; D323-V327 HydrophobicContact CB-CB 4.13Å; D323-V327 HydrophobicContact CB-CG1 3.9Å; T324-V327 PolarHBondContact O-N 3.16Å; T324-V327 WeakPolarHBondContact OG1-CG2 3.27Å; T324-V327 PolarHBondContact OG1-N 3.19Å; V327-Q329 PolarHBondContact O-N 2.9Å; V327-M330 HydrophobicContact CB-CE 4.44Å; V327-M330 HydrophobicContact CG2-CE 4.01Å; V327-M330 PolarHBondContact O-N 3.39Å; V327-K331 HydrophobicContact CG1-CD 4.32Å; V327-K331 HydrophobicContact CG1-CG 4.47Å; V327-K331 PolarHBondContact O-N 3.32Å
328	Q	93.8	Very high	91.5	Very high	102 Å²	102	85.2 Å²	85.2	48%	0.477	41%	0.408	S	S	.	.	H	α-helix	trans	-60.1	-44.5	175.7	-66.1	179.2	26.3	0	0	111.7	D323 T324 L325 M330 K331 A332	D323-Q328 HydrophobicContact CB-CG 3.77Å; D323-Q328 PolarHBondContact O-NE2 2.75Å; T324-Q328 WeakPolarHBondContact O-CG 3.38Å; T324-Q328 PolarHBondContact O-N 2.96Å; L325-Q328 PolarHBondContact O-N 3.48Å; Q328-M330 VanDerWaalsContact C-N 3.35Å; Q328-M330 PolarHBondContact O-N 3.49Å; Q328-K331 PolarHBondContact O-N 2.91Å; Q328-A332 WeakPolarHBondContact O-CB 3.37Å; Q328-A332 PolarHBondContact O-N 2.87Å
329	Q	94.5	Very high	90.7	Very high	109 Å²	109	83.2 Å²	83.2	51%	0.509	41%	0.411	S	S	.	.	H	α-helix	trans	-62.9	-39.9	175	-74.7	175.1	-4.2	0	0	112.2	L325 E326 V327 R333	L325-Q329 HydrophobicContact CD1-CG 4.43Å; L325-Q329 WeakPolarHBondContact O-CB 3.47Å; L325-Q329 VanDerWaalsContact O-CG 3.27Å; L325-Q329 WeakPolarHBondContact O-CG 3.45Å; L325-Q329 PolarHBondContact O-N 2.81Å; E326-Q329 PolarHBondContact O-N 3.06Å; V327-Q329 PolarHBondContact O-N 2.9Å; Q329-R333 WeakPolarHBondContact O-CB 3.44Å; Q329-R333 PolarHBondContact O-N 3.45Å
330	M	94.8	Very high	90	Very high	7 Å²	7	87 Å²	87	3%	0.034	43%	0.425	C	S	.	.	H	α-helix	trans	-63.6	-48.4	175.2	-73.3	-172.2	-67.6	0	0	111.6	R63 W66 I118 E326 V327 Q328 A332 R333 A334	R63-M330 HydrophobicContact CB-SD 3.48Å; R63-M330 WeakPolarHBondContact CB-SD 3.37Å; R63-M330 HydrophobicContact CG-SD 4.32Å; R63-M330 VanDerWaalsContact NH1-CG 3.31Å; W66-M330 HydrophobicContact CH2-CE 3.64Å; W66-M330 HydrophobicContact CZ3-CE 4.27Å; I118-M330 HydrophobicContact CD1-CB 4.27Å; I118-M330 HydrophobicContact CG2-CB 3.91Å; I118-M330 WeakPolarHBondContact CG2-O 3.43Å; E326-M330 HydrophobicContact CG-CE 4.16Å; E326-M330 WeakPolarHBondContact O-CG 3.19Å; E326-M330 PolarHBondContact O-N 3.32Å; V327-M330 HydrophobicContact CB-CE 4.44Å; V327-M330 HydrophobicContact CG2-CE 4.01Å; V327-M330 PolarHBondContact O-N 3.39Å; Q328-M330 VanDerWaalsContact C-N 3.35Å; Q328-M330 PolarHBondContact O-N 3.49Å; M330-A332 PolarHBondContact O-N 2.97Å; M330-R333 PolarHBondContact O-N 2.92Å; M330-A334 WeakPolarHBondContact O-CB 3.2Å; M330-A334 PolarHBondContact O-N 3.01Å
331	K	93.3	Very high	89.1	Confident	72 Å²	72	85.1 Å²	85.1	31%	0.313	42%	0.418	S	S	.	.	H	α-helix	trans	-60.5	-43.6	176.9	-75.6	-175.8	173.9	177.4	0	112	I118 D323 V327 Q328 R333 A334 K335	I118-K331 HydrophobicContact CD1-CG 3.84Å; I118-K331 HydrophobicContact CG1-CG 3.91Å; I118-K331 HydrophobicContact CG2-CG 4.23Å; D323-K331 IonicContact OD1-NZ 3.88Å; D323-K331 WeakPolarHBondContact OD2-CD 3.22Å; D323-K331 WeakPolarHBondContact OD2-CE 3.33Å; D323-K331 IonicContact OD2-NZ 2.69Å; D323-K331 PolarHBondContact OD2-NZ 3.25Å; V327-K331 HydrophobicContact CG1-CD 4.32Å; V327-K331 HydrophobicContact CG1-CG 4.47Å; V327-K331 PolarHBondContact O-N 3.32Å; Q328-K331 PolarHBondContact O-N 2.91Å; K331-R333 PolarHBondContact O-N 3.5Å; K331-A334 PolarHBondContact O-N 3.49Å; K331-K335 WeakPolarHBondContact O-CB 3.35Å; K331-K335 PolarHBondContact O-N 2.91Å
332	A	91.4	Very high	88.2	Confident	64 Å²	64	83.5 Å²	83.5	53%	0.529	41%	0.413	S	S	.	.	H	α-helix	trans	-61.3	-44.6	176.9	0	0	0	0	0	111.9	Q328 M330 K335 Q336	Q328-A332 WeakPolarHBondContact O-CB 3.37Å; Q328-A332 PolarHBondContact O-N 2.87Å; M330-A332 PolarHBondContact O-N 2.97Å; A332-K335 PolarHBondContact O-N 3.38Å; A332-Q336 PolarHBondContact O-N 2.69Å
333	R	90.8	Very high	87.3	Confident	154 Å²	154	83.2 Å²	83.2	58%	0.581	41%	0.409	S	S	*	.	H	α-helix	trans	-64.4	-45.9	176.2	-176.6	174.9	176.8	174.3	-0.3	111.9	Q329 M330 K331 K335 Q336 D337	Q329-R333 WeakPolarHBondContact O-CB 3.44Å; Q329-R333 PolarHBondContact O-N 3.45Å; M330-R333 PolarHBondContact O-N 2.92Å; K331-R333 PolarHBondContact O-N 3.5Å; R333-K335 VanDerWaalsContact C-N 3.34Å; R333-K335 PolarHBondContact O-N 2.97Å; R333-Q336 WeakPolarHBondContact O-CB 3.29Å; R333-Q336 PolarHBondContact O-N 2.96Å; R333-Q336 VanDerWaalsContact O-N 3.17Å; R333-D337 IonicContact NE-OD2 2.86Å; R333-D337 WeakPolarHBondContact O-CB 3.42Å; R333-D337 VanDerWaalsContact O-CG 3.29Å; R333-D337 PolarHBondContact O-N 3.48Å
334	A	89.5	Confident	86.3	Confident	14 Å²	14	83.1 Å²	83.1	12%	0.116	41%	0.413	C	S	.	.	H	α-helix	trans	-60.6	-42.8	177.2	0	0	0	0	0	111.8	I118 M330 K331 Q336 D337 R338	I118-A334 HydrophobicContact CG2-CB 3.6Å; I118-A334 VanDerWaalsContact O-CB 3.28Å; I118-A334 WeakPolarHBondContact O-CB 3.49Å; M330-A334 WeakPolarHBondContact O-CB 3.2Å; M330-A334 PolarHBondContact O-N 3.01Å; K331-A334 PolarHBondContact O-N 3.49Å; A334-Q336 VanDerWaalsContact C-N 3.34Å; A334-Q336 PolarHBondContact O-N 2.85Å; A334-D337 PolarHBondContact O-N 3.37Å; A334-R338 WeakPolarHBondContact O-CB 3.48Å; A334-R338 WeakPolarHBondContact O-CG 3.11Å; A334-R338 PolarHBondContact O-N 2.76Å
335	K	87	Confident	85.1	Confident	165 Å²	165	82.9 Å²	82.9	72%	0.717	41%	0.41	S	S	*	.	H	α-helix	trans	-60.3	-42.4	174.2	-173	174.8	-178.4	174.1	0	111.9	K331 A332 R333 A339	K331-K335 WeakPolarHBondContact O-CB 3.35Å; K331-K335 PolarHBondContact O-N 2.91Å; A332-K335 PolarHBondContact O-N 3.38Å; R333-K335 VanDerWaalsContact C-N 3.34Å; R333-K335 PolarHBondContact O-N 2.97Å; K335-A339 WeakPolarHBondContact O-CB 3.45Å; K335-A339 PolarHBondContact O-N 2.98Å
336	Q	85.7	Confident	83.8	Confident	113 Å²	113	84.6 Å²	84.6	53%	0.528	41%	0.412	S	S	.	.	H	α-helix	trans	-65.4	-39.6	176	-169.1	-175.1	12	0	0	112.2	A332 R333 A334 R340	A332-Q336 PolarHBondContact O-N 2.69Å; R333-Q336 WeakPolarHBondContact O-CB 3.29Å; R333-Q336 PolarHBondContact O-N 2.96Å; R333-Q336 VanDerWaalsContact O-N 3.17Å; A334-Q336 VanDerWaalsContact C-N 3.34Å; A334-Q336 PolarHBondContact O-N 2.85Å; Q336-R340 WeakPolarHBondContact O-CB 3.19Å; Q336-R340 WeakPolarHBondContact O-CG 3.33Å; Q336-R340 PolarHBondContact O-N 2.89Å; Q336-R340 PolarHBondContact O-NE 2.76Å
337	D	84.5	Confident	82.4	Confident	39 Å²	39	82.8 Å²	82.8	21%	0.209	41%	0.41	C	S	.	.	H	α-helix	trans	-69.5	-43.7	179.2	-69.2	-15.8	0	0	0	111.3	R333 A334 R340 R341	R333-D337 IonicContact NE-OD2 2.86Å; R333-D337 WeakPolarHBondContact O-CB 3.42Å; R333-D337 VanDerWaalsContact O-CG 3.29Å; R333-D337 PolarHBondContact O-N 3.48Å; A334-D337 PolarHBondContact O-N 3.37Å; D337-R340 PolarHBondContact O-N 3.32Å; D337-R340 IonicContact OD1-CZ 2.69Å; D337-R340 IonicContact OD1-NE 2.64Å; D337-R340 IonicContact OD1-NH2 3.43Å; D337-R340 PolarHBondContact OD1-NH2 3.32Å; D337-R341 WeakPolarHBondContact O-CG 3.42Å; D337-R341 PolarHBondContact O-N 2.93Å
338	R	80.3	Confident	80.8	Confident	88 Å²	88	85.9 Å²	85.9	33%	0.332	43%	0.429	S	S	.	.	H	α-helix	trans	-59.3	-47	172.1	-70.5	179.6	-169.1	168.9	5.4	111.6	L117 A334 R340 R341 L342	L117-R338 PolarHBondContact O-NH2 2.89Å; A334-R338 WeakPolarHBondContact O-CB 3.48Å; A334-R338 WeakPolarHBondContact O-CG 3.11Å; A334-R338 PolarHBondContact O-N 2.76Å; R338-R340 VanDerWaalsContact C-N 3.35Å; R338-R340 PolarHBondContact O-N 3.08Å; R338-R341 PolarHBondContact O-N 3.23Å; R338-L342 WeakPolarHBondContact O-CG 3.32Å; R338-L342 PolarHBondContact O-N 3.48Å
339	A	78.1	Confident	79.4	Confident	50 Å²	50	84.5 Å²	84.5	41%	0.413	43%	0.428	S	S	.	.	H	α-helix	trans	-61.1	-41.2	177.5	0	0	0	0	0	112.5	K335 R341 L342 V343	K335-A339 WeakPolarHBondContact O-CB 3.45Å; K335-A339 PolarHBondContact O-N 2.98Å; A339-R341 VanDerWaalsContact C-N 3.35Å; A339-R341 PolarHBondContact O-N 3.48Å; A339-L342 PolarHBondContact O-N 2.94Å; A339-V343 WeakPolarHBondContact O-CG2 3.36Å; A339-V343 PolarHBondContact O-N 3.4Å; A339-V343 VanDerWaalsContact O-N 3.12Å
340	R	78.5	Confident	77.8	Confident	137 Å²	137	85.9 Å²	85.9	52%	0.517	43%	0.429	S	S	.	.	H	α-helix	trans	-61.6	-40.9	175.3	-80.5	-174	-83.7	-161.7	-7.3	112.3	Q336 D337 R338 S344	Q336-R340 WeakPolarHBondContact O-CB 3.19Å; Q336-R340 WeakPolarHBondContact O-CG 3.33Å; Q336-R340 PolarHBondContact O-N 2.89Å; Q336-R340 PolarHBondContact O-NE 2.76Å; D337-R340 PolarHBondContact O-N 3.32Å; D337-R340 IonicContact OD1-CZ 2.69Å; D337-R340 IonicContact OD1-NE 2.64Å; D337-R340 IonicContact OD1-NH2 3.43Å; D337-R340 PolarHBondContact OD1-NH2 3.32Å; R338-R340 VanDerWaalsContact C-N 3.35Å; R338-R340 PolarHBondContact O-N 3.08Å; R340-S344 WeakPolarHBondContact O-CB 3.22Å; R340-S344 PolarHBondContact O-N 3.41Å
341	R	75.4	Confident	76.1	Confident	77 Å²	77	88 Å²	88	29%	0.291	44%	0.441	S	S	.	.	H	α-helix	trans	-66.8	-43.5	176.5	-69.5	176.6	-156	137.2	6	112.3	D120 D337 R338 A339 V343 S344 N345	D120-R341 IonicContact OD1-CZ 4Å; D120-R341 IonicContact OD1-NH1 3.24Å; D120-R341 PolarHBondContact OD1-NH1 2.95Å; D120-R341 IonicContact OD2-CZ 3.7Å; D120-R341 IonicContact OD2-NH1 2.84Å; D120-R341 PolarHBondContact OD2-NH1 2.81Å; D120-R341 IonicContact OD2-NH2 3.81Å; D120-R341 PolarHBondContact OD2-NH2 3.26Å; D337-R341 WeakPolarHBondContact O-CG 3.42Å; D337-R341 PolarHBondContact O-N 2.93Å; R338-R341 PolarHBondContact O-N 3.23Å; A339-R341 VanDerWaalsContact C-N 3.35Å; A339-R341 PolarHBondContact O-N 3.48Å; R341-V343 VanDerWaalsContact C-N 3.3Å; R341-V343 PolarHBondContact O-N 3.11Å; R341-S344 CarbonylContact O-C 3.52Å; R341-S344 WeakPolarHBondContact O-CB 3.44Å; R341-S344 PolarHBondContact O-N 3.46Å; R341-S344 VanDerWaalsContact O-N 3.12Å; R341-N345 WeakPolarHBondContact O-CB 3.45Å; R341-N345 VanDerWaalsContact O-CG 3.24Å; R341-N345 PolarHBondContact O-N 2.93Å
342	L	73.4	Confident	74.5	Confident	96 Å²	96	91.3 Å²	91.3	50%	0.503	46%	0.461	S	S	.	.	H	α-helix	trans	-58.4	-42.9	176.8	-72.2	172.8	0	0	0	111.7	R338 A339 N345 F346	R338-L342 WeakPolarHBondContact O-CG 3.32Å; R338-L342 PolarHBondContact O-N 3.48Å; A339-L342 PolarHBondContact O-N 2.94Å; L342-N345 PolarHBondContact O-N 3.16Å; L342-F346 VanDerWaalsContact O-CB 3.27Å; L342-F346 WeakPolarHBondContact O-CB 3.46Å; L342-F346 PolarHBondContact O-N 3.31Å
343	V	73.8	Confident	73.1	Confident	104 Å²	104	92.5 Å²	92.5	63%	0.63	47%	0.466	S	S	*	.	H	α-helix	trans	-64.6	-43.4	174.8	175	0	0	0	0	111.4	A339 R341 S347	A339-V343 WeakPolarHBondContact O-CG2 3.36Å; A339-V343 PolarHBondContact O-N 3.4Å; A339-V343 VanDerWaalsContact O-N 3.12Å; R341-V343 VanDerWaalsContact C-N 3.3Å; R341-V343 PolarHBondContact O-N 3.11Å; V343-S347 WeakPolarHBondContact O-CB 3.45Å; V343-S347 PolarHBondContact O-N 3.15Å
344	S	70.6	Confident	71.5	Confident	66 Å²	66	87.8 Å²	87.8	46%	0.462	45%	0.454	S	S	.	.	H	α-helix	trans	-62	-45.3	177.4	-170.4	0	0	0	0	111.8	R340 R341 S347 T348	R340-S344 WeakPolarHBondContact O-CB 3.22Å; R340-S344 PolarHBondContact O-N 3.41Å; R341-S344 CarbonylContact O-C 3.52Å; R341-S344 WeakPolarHBondContact O-CB 3.44Å; R341-S344 PolarHBondContact O-N 3.46Å; R341-S344 VanDerWaalsContact O-N 3.12Å; S344-S347 PolarHBondContact O-N 2.83Å; S344-T348 WeakPolarHBondContact O-CB 3.34Å; S344-T348 PolarHBondContact O-N 2.76Å; S344-T348 PolarHBondContact O-OG1 3.24Å
345	N	69.3	Low	69.9	Low	66 Å²	66	90.7 Å²	90.7	35%	0.353	49%	0.485	S	S	.	.	H	α-helix	trans	-67.7	-44.5	-180	-69.3	-12.3	0	0	0	110.6	T207 R341 L342 S347 T348 T349	T207-N345 WeakPolarHBondContact CG2-ND2 3.29Å; R341-N345 WeakPolarHBondContact O-CB 3.45Å; R341-N345 VanDerWaalsContact O-CG 3.24Å; R341-N345 PolarHBondContact O-N 2.93Å; L342-N345 PolarHBondContact O-N 3.16Å; N345-S347 VanDerWaalsContact C-N 3.32Å; N345-S347 PolarHBondContact O-N 3.25Å; N345-T348 PolarHBondContact O-N 3.21Å; N345-T349 WeakPolarHBondContact O-CB 3.3Å; N345-T349 PolarHBondContact O-N 3.1Å; N345-T349 PolarHBondContact O-OG1 2.86Å
346	F	68.2	Low	68.4	Low	153 Å²	153	90.7 Å²	90.7	67%	0.671	49%	0.486	S	S	*	.	H	α-helix	trans	-60	-43.1	174.4	-173.4	-96.5	0	0	0	111.7	L342 Y350	L342-F346 VanDerWaalsContact O-CB 3.27Å; L342-F346 WeakPolarHBondContact O-CB 3.46Å; L342-F346 PolarHBondContact O-N 3.31Å; F346-Y350 WeakPolarHBondContact O-CB 3.46Å; F346-Y350 PolarHBondContact O-N 3.38Å
347	S	62.6	Low	66.8	Low	56 Å²	56	87.2 Å²	87.2	39%	0.392	47%	0.473	S	S	.	.	H	α-helix	trans	-62.9	-46.2	175.8	-173.3	0	0	0	0	111.7	V343 S344 N345 Y350 L351	V343-S347 WeakPolarHBondContact O-CB 3.45Å; V343-S347 PolarHBondContact O-N 3.15Å; S344-S347 PolarHBondContact O-N 2.83Å; N345-S347 VanDerWaalsContact C-N 3.32Å; N345-S347 PolarHBondContact O-N 3.25Å; S347-Y350 PolarHBondContact O-N 2.62Å; S347-L351 WeakPolarHBondContact O-CB 3.34Å; S347-L351 WeakPolarHBondContact O-CG 3.5Å; S347-L351 PolarHBondContact O-N 3.41Å
348	T	62.2	Low	65.6	Low	71 Å²	71	90.5 Å²	90.5	44%	0.436	50%	0.495	S	S	.	.	H	α-helix	trans	-61.3	-48.6	176.8	-69.7	0	0	0	0	111.3	S344 N345 Y350 L351 L352	S344-T348 WeakPolarHBondContact O-CB 3.34Å; S344-T348 PolarHBondContact O-N 2.76Å; S344-T348 PolarHBondContact O-OG1 3.24Å; N345-T348 PolarHBondContact O-N 3.21Å; T348-Y350 VanDerWaalsContact C-N 3.34Å; T348-Y350 PolarHBondContact O-N 3.5Å; T348-L351 PolarHBondContact O-N 3.09Å; T348-L352 HydrophobicContact CG2-CD1 3.86Å; T348-L352 HydrophobicContact CG2-CG 4.42Å; T348-L352 WeakPolarHBondContact O-CB 3.34Å; T348-L352 VanDerWaalsContact O-CG 3.3Å; T348-L352 WeakPolarHBondContact O-CG 3.29Å; T348-L352 PolarHBondContact O-N 3.25Å
349	T	63.8	Low	64.5	Low	74 Å²	74	92.4 Å²	92.4	45%	0.454	51%	0.507	S	S	.	.	H	α-helix	trans	-61.4	-42.4	177.7	-59.6	0	0	0	0	111.4	N345 L352 S353	N345-T349 WeakPolarHBondContact O-CB 3.3Å; N345-T349 PolarHBondContact O-N 3.1Å; N345-T349 PolarHBondContact O-OG1 2.86Å; T349-L352 PolarHBondContact O-N 2.85Å; T349-S353 WeakPolarHBondContact O-CB 3.26Å; T349-S353 PolarHBondContact O-N 3.18Å; T349-S353 PolarHBondContact O-OG 2.98Å
350	Y	61.4	Low	63.7	Low	137 Å²	137	94.5 Å²	94.5	54%	0.537	51%	0.512	S	S	.	.	H	α-helix	trans	-63.6	-45.9	176.2	-174.4	-95.9	0	0	0	111.9	F346 S347 T348 S353 T354	F346-Y350 WeakPolarHBondContact O-CB 3.46Å; F346-Y350 PolarHBondContact O-N 3.38Å; S347-Y350 PolarHBondContact O-N 2.62Å; T348-Y350 VanDerWaalsContact C-N 3.34Å; T348-Y350 PolarHBondContact O-N 3.5Å; Y350-S353 PolarHBondContact O-N 3.31Å; Y350-S353 PolarHBondContact O-OG 2.91Å; Y350-T354 HydrophobicContact CD1-CG2 4.33Å; Y350-T354 HydrophobicContact CD2-CG2 4.29Å; Y350-T354 HydrophobicContact CE1-CG2 3.96Å; Y350-T354 HydrophobicContact CE2-CG2 3.93Å; Y350-T354 HydrophobicContact CG-CG2 4.49Å; Y350-T354 WeakPolarHBondContact O-CB 3.48Å; Y350-T354 WeakPolarHBondContact O-CG2 3.31Å; Y350-T354 PolarHBondContact O-N 3.19Å; Y350-T354 PolarHBondContact O-OG1 2.97Å
351	L	58.1	Low	62.8	Low	53 Å²	53	92.2 Å²	92.2	28%	0.277	51%	0.507	S	S	.	.	H	α-helix	trans	-62.2	-43.6	177.8	-72.4	171.7	0	0	0	112.1	S347 T348 T354 G355	S347-L351 WeakPolarHBondContact O-CB 3.34Å; S347-L351 WeakPolarHBondContact O-CG 3.5Å; S347-L351 PolarHBondContact O-N 3.41Å; T348-L351 PolarHBondContact O-N 3.09Å; L351-T354 PolarHBondContact O-N 3.06Å; L351-G355 PolarHBondContact O-N 2.93Å
352	L	60.1	Low	62.3	Low	141 Å²	141	94.4 Å²	94.4	74%	0.738	52%	0.519	S	S	*	.	H	α-helix	trans	-62.2	-41.8	175	-71.6	170.7	0	0	0	111.7	T348 T349 T354	T348-L352 HydrophobicContact CG2-CD1 3.86Å; T348-L352 HydrophobicContact CG2-CG 4.42Å; T348-L352 WeakPolarHBondContact O-CB 3.34Å; T348-L352 VanDerWaalsContact O-CG 3.3Å; T348-L352 WeakPolarHBondContact O-CG 3.29Å; T348-L352 PolarHBondContact O-N 3.25Å; T349-L352 PolarHBondContact O-N 2.85Å; L352-T354 PolarHBondContact O-N 3.09Å
353	S	62.3	Low	62.2	Low	89 Å²	89	93 Å²	93	62%	0.622	52%	0.516	S	S	*	.	H	α-helix	trans	-73.1	-23	-178.6	72.6	0	0	0	0	114.6	T349 Y350	T349-S353 WeakPolarHBondContact O-CB 3.26Å; T349-S353 PolarHBondContact O-N 3.18Å; T349-S353 PolarHBondContact O-OG 2.98Å; Y350-S353 PolarHBondContact O-N 3.31Å; Y350-S353 PolarHBondContact O-OG 2.91Å
354	T	57	Low	62.1	Low	55 Å²	55	94.1 Å²	94.1	34%	0.337	51%	0.512	S	S	.	.	H	α-helix	trans	-105.1	-6.1	-172.5	54.7	0	0	0	0	114.8	Y350 L351 L352 F356	Y350-T354 HydrophobicContact CD1-CG2 4.33Å; Y350-T354 HydrophobicContact CD2-CG2 4.29Å; Y350-T354 HydrophobicContact CE1-CG2 3.96Å; Y350-T354 HydrophobicContact CE2-CG2 3.93Å; Y350-T354 HydrophobicContact CG-CG2 4.49Å; Y350-T354 WeakPolarHBondContact O-CB 3.48Å; Y350-T354 WeakPolarHBondContact O-CG2 3.31Å; Y350-T354 PolarHBondContact O-N 3.19Å; Y350-T354 PolarHBondContact O-OG1 2.97Å; L351-T354 PolarHBondContact O-N 3.06Å; L352-T354 PolarHBondContact O-N 3.09Å; T354-F356 PolarHBondContact O-N 3.29Å; T354-F356 VanDerWaalsContact O-N 3.09Å
355	G	56.2	Low	62.2	Low	75 Å²	75	94.8 Å²	94.8	77%	0.773	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	19.6	173.4	0	0	0	0	0	115.4	L351	L351-G355 PolarHBondContact O-N 2.93Å
356	F	53.9	Low	62.4	Low	165 Å²	165	97.1 Å²	97.1	72%	0.724	52%	0.519	S	S	*	.			trans	-107.5	46.5	-160.1	-143.5	-84.2	0	0	0	113.5	T354	T354-F356 PolarHBondContact O-N 3.29Å; T354-F356 VanDerWaalsContact O-N 3.09Å
357	C	53.2	Low	62.9	Low	40 Å²	40	92.6 Å²	92.6	27%	0.27	51%	0.51	S	S	.	.			trans	-153.2	114	-175.4	-105	0	0	0	0	117.5	E361	C357-E361 HydrophobicContact CB-CB 4.13Å; C357-E361 HydrophobicContact CB-CG 3.86Å; C357-E361 WeakPolarHBondContact CB-OE1 3.32Å; C357-E361 WeakPolarHBondContact CB-OE2 3.49Å; C357-E361 VanDerWaalsContact SG-CD 3.52Å; C357-E361 WeakPolarHBondContact SG-CG 3.48Å; C357-E361 PolarHBondContact SG-OE1 3.5Å
358	T	59	Low	63.5	Low	108 Å²	108	95.4 Å²	95.4	66%	0.663	52%	0.517	S	S	*	.	S	Bend	trans	-142.1	-36.4	147.2	57	0	0	0	0	111.3	K362	T358-K362 WeakPolarHBondContact O-CG 3.47Å
359	Q	57.9	Low	64.1	Low	127 Å²	127	99.8 Å²	99.8	59%	0.593	53%	0.525	S	S	*	.	H	α-helix	trans	-89.4	-43.8	-175	-164.2	62.1	34.7	0	0	114.1	E361 K362 C363	Q359-E361 VanDerWaalsContact C-N 3.28Å; Q359-E361 PolarHBondContact O-N 3.3Å; Q359-K362 PolarHBondContact O-N 2.96Å; Q359-C363 PolarHBondContact O-N 3.03Å
360	N	60.4	Low	65	Low	94 Å²	94	103.2 Å²	103.2	50%	0.503	54%	0.536	S	S	.	.	H	α-helix	trans	-68.5	-32.5	177.6	-154.9	3.6	0	0	0	111.2	C363 K364	N360-C363 PolarHBondContact O-N 3Å; N360-K364 WeakPolarHBondContact O-CB 3.29Å; N360-K364 WeakPolarHBondContact O-CG 3.38Å; N360-K364 PolarHBondContact O-N 3.09Å
361	E	60.3	Low	66.1	Low	89 Å²	89	102.8 Å²	102.8	42%	0.416	54%	0.543	S	S	.	.	H	α-helix	trans	-62.4	-43.7	172.8	-118	170.5	-150.1	0	0	112.4	C357 Q359 K364 L365	C357-E361 HydrophobicContact CB-CB 4.13Å; C357-E361 HydrophobicContact CB-CG 3.86Å; C357-E361 WeakPolarHBondContact CB-OE1 3.32Å; C357-E361 WeakPolarHBondContact CB-OE2 3.49Å; C357-E361 VanDerWaalsContact SG-CD 3.52Å; C357-E361 WeakPolarHBondContact SG-CG 3.48Å; C357-E361 PolarHBondContact SG-OE1 3.5Å; Q359-E361 VanDerWaalsContact C-N 3.28Å; Q359-E361 PolarHBondContact O-N 3.3Å; E361-K364 PolarHBondContact O-N 3.25Å; E361-L365 WeakPolarHBondContact O-CB 3.49Å; E361-L365 PolarHBondContact O-N 3.45Å
362	K	64	Low	67.1	Low	123 Å²	123	108.2 Å²	108.2	54%	0.535	56%	0.559	S	S	.	*	H	α-helix	trans	-62.1	-47.6	175.7	-78.8	178.5	-178.9	-178.7	0	112.1	T358 Q359 K364 L365 E366	T358-K362 WeakPolarHBondContact O-CG 3.47Å; Q359-K362 PolarHBondContact O-N 2.96Å; K362-K364 PolarHBondContact O-N 3.08Å; K362-L365 PolarHBondContact O-N 3.25Å; K362-E366 WeakPolarHBondContact O-CB 3.42Å; K362-E366 WeakPolarHBondContact O-CG 3.36Å; K362-E366 PolarHBondContact O-N 3.08Å
363	C	73.2	Confident	68.2	Low	66 Å²	66	103.8 Å²	103.8	45%	0.446	54%	0.543	S	S	.	.	H	α-helix	trans	-64.4	-39.7	178.8	-68.5	0	0	0	0	112.5	Q359 N360 A367	Q359-C363 PolarHBondContact O-N 3.03Å; N360-C363 PolarHBondContact O-N 3Å; C363-A367 WeakPolarHBondContact O-CB 3.34Å; C363-A367 PolarHBondContact O-N 2.98Å
364	K	71.1	Confident	69.4	Low	128 Å²	128	105.4 Å²	105.4	56%	0.557	55%	0.545	S	S	*	.	H	α-helix	trans	-66.8	-42.5	175.1	-75.3	-178.5	179.7	-175.9	0	112.2	N360 E361 K362 A367 E368	N360-K364 WeakPolarHBondContact O-CB 3.29Å; N360-K364 WeakPolarHBondContact O-CG 3.38Å; N360-K364 PolarHBondContact O-N 3.09Å; E361-K364 PolarHBondContact O-N 3.25Å; K362-K364 PolarHBondContact O-N 3.08Å; K364-A367 PolarHBondContact O-N 3.24Å; K364-E368 WeakPolarHBondContact O-CB 3.27Å; K364-E368 PolarHBondContact O-N 2.84Å
365	L	72.3	Confident	70.5	Confident	81 Å²	81	105.6 Å²	105.6	42%	0.424	55%	0.552	S	S	.	*	H	α-helix	trans	-66.4	-38.2	179	-171.4	71.1	0	0	0	111.8	E361 K362 R369	E361-L365 WeakPolarHBondContact O-CB 3.49Å; E361-L365 PolarHBondContact O-N 3.45Å; K362-L365 PolarHBondContact O-N 3.25Å; L365-R369 WeakPolarHBondContact O-CB 3.32Å; L365-R369 WeakPolarHBondContact O-CG 3.49Å; L365-R369 PolarHBondContact O-N 3.38Å
366	E	73.1	Confident	71.7	Confident	115 Å²	115	104.9 Å²	104.9	54%	0.537	53%	0.53	S	S	.	.	H	α-helix	trans	-65.4	-46.9	173.3	-78	174.2	177.1	0	0	111.6	K362 E368 R369 E370	K362-E366 WeakPolarHBondContact O-CB 3.42Å; K362-E366 WeakPolarHBondContact O-CG 3.36Å; K362-E366 PolarHBondContact O-N 3.08Å; E366-E368 VanDerWaalsContact C-N 3.34Å; E366-E368 PolarHBondContact O-N 2.62Å; E366-R369 PolarHBondContact O-N 2.74Å; E366-E370 PolarHBondContact O-N 2.89Å
367	A	78.8	Confident	73.2	Confident	57 Å²	57	104.3 Å²	104.3	47%	0.471	53%	0.527	S	S	.	.	H	α-helix	trans	-61.6	-40.1	176	0	0	0	0	0	112.5	C363 K364 E370 L371	C363-A367 WeakPolarHBondContact O-CB 3.34Å; C363-A367 PolarHBondContact O-N 2.98Å; K364-A367 PolarHBondContact O-N 3.24Å; A367-E370 PolarHBondContact O-N 2.93Å; A367-L371 WeakPolarHBondContact O-CB 3.08Å; A367-L371 PolarHBondContact O-N 3.27Å
368	E	74.6	Confident	74.8	Confident	116 Å²	116	106.2 Å²	106.2	54%	0.542	53%	0.532	S	S	.	.	H	α-helix	trans	-67.5	-39.4	175.9	-170.2	-178.6	168	0	0	111.8	K364 E366 L371 R372	K364-E368 WeakPolarHBondContact O-CB 3.27Å; K364-E368 PolarHBondContact O-N 2.84Å; E366-E368 VanDerWaalsContact C-N 3.34Å; E366-E368 PolarHBondContact O-N 2.62Å; E368-L371 PolarHBondContact O-N 2.92Å; E368-R372 VanDerWaalsContact O-CB 3.23Å; E368-R372 WeakPolarHBondContact O-CB 3.36Å; E368-R372 PolarHBondContact O-N 2.76Å
369	R	76.5	Confident	75.8	Confident	162 Å²	162	106.5 Å²	106.5	61%	0.611	52%	0.521	S	S	*	.	H	α-helix	trans	-62.8	-42.2	174.1	-78.7	171.4	178.2	-177.2	0.5	111.8	L365 E366 R372 A373	L365-R369 WeakPolarHBondContact O-CB 3.32Å; L365-R369 WeakPolarHBondContact O-CG 3.49Å; L365-R369 PolarHBondContact O-N 3.38Å; E366-R369 PolarHBondContact O-N 2.74Å; R369-R372 PolarHBondContact O-N 3.12Å; R369-A373 VanDerWaalsContact O-CB 3.31Å; R369-A373 WeakPolarHBondContact O-CB 3.42Å; R369-A373 PolarHBondContact O-N 3.07Å
370	E	82.6	Confident	77.1	Confident	147 Å²	147	103.6 Å²	103.6	69%	0.687	51%	0.51	S	S	*	.	H	α-helix	trans	-65.2	-45.1	175.7	-74.9	-175.3	170.9	0	0	111.8	E366 A367 R372 A373 L374	E366-E370 PolarHBondContact O-N 2.89Å; A367-E370 PolarHBondContact O-N 2.93Å; E370-R372 VanDerWaalsContact C-N 3.31Å; E370-R372 PolarHBondContact O-N 3.29Å; E370-A373 PolarHBondContact O-N 2.99Å; E370-L374 PolarHBondContact O-N 2.81Å
371	L	82.8	Confident	78.5	Confident	128 Å²	128	105.2 Å²	105.2	67%	0.67	51%	0.509	S	S	*	.	H	α-helix	trans	-61.2	-41.7	176.4	-161.8	98.9	0	0	0	111.3	A367 E368 L374 A375	A367-L371 WeakPolarHBondContact O-CB 3.08Å; A367-L371 PolarHBondContact O-N 3.27Å; E368-L371 PolarHBondContact O-N 2.92Å; L371-L374 PolarHBondContact O-N 3.41Å; L371-A375 WeakPolarHBondContact O-CB 3.26Å; L371-A375 PolarHBondContact O-N 3.49Å
372	R	81.1	Confident	79.5	Confident	166 Å²	166	104.6 Å²	104.6	63%	0.626	51%	0.508	S	S	*	.	H	α-helix	trans	-67.5	-40.9	177.2	-165.8	172.5	-169	110	-0.4	111.9	E368 R369 E370 L374 A375 D376	E368-R372 VanDerWaalsContact O-CB 3.23Å; E368-R372 WeakPolarHBondContact O-CB 3.36Å; E368-R372 PolarHBondContact O-N 2.76Å; R369-R372 PolarHBondContact O-N 3.12Å; E370-R372 VanDerWaalsContact C-N 3.31Å; E370-R372 PolarHBondContact O-N 3.29Å; R372-L374 VanDerWaalsContact C-N 3.31Å; R372-L374 PolarHBondContact O-N 2.89Å; R372-A375 PolarHBondContact O-N 2.87Å; R372-D376 WeakPolarHBondContact O-CB 3.46Å; R372-D376 PolarHBondContact O-N 3.42Å
373	A	82.6	Confident	80.4	Confident	49 Å²	49	104.1 Å²	104.1	41%	0.405	51%	0.506	S	S	.	.	H	α-helix	trans	-63.3	-37.5	174.9	0	0	0	0	0	112.1	R369 E370 K377	R369-A373 VanDerWaalsContact O-CB 3.31Å; R369-A373 WeakPolarHBondContact O-CB 3.42Å; R369-A373 PolarHBondContact O-N 3.07Å; E370-A373 PolarHBondContact O-N 2.99Å; A373-K377 WeakPolarHBondContact O-CG 3.06Å; A373-K377 PolarHBondContact O-N 3.16Å; A373-K377 VanDerWaalsContact O-N 3.07Å
374	L	86.2	Confident	81	Confident	123 Å²	123	107.3 Å²	107.3	64%	0.644	51%	0.514	S	S	*	.	H	α-helix	trans	-67.8	-44.1	174	-168.7	70.6	0	0	0	111.4	E370 L371 R372 D376 K377 E378	E370-L374 PolarHBondContact O-N 2.81Å; L371-L374 PolarHBondContact O-N 3.41Å; R372-L374 VanDerWaalsContact C-N 3.31Å; R372-L374 PolarHBondContact O-N 2.89Å; L374-D376 PolarHBondContact O-N 3.37Å; L374-K377 PolarHBondContact O-N 2.85Å; L374-E378 PolarHBondContact O-N 3.03Å
375	A	81.8	Confident	81.6	Confident	59 Å²	59	105.5 Å²	105.5	49%	0.488	51%	0.508	S	S	.	.	H	α-helix	trans	-63.5	-38.6	176.8	0	0	0	0	0	112.5	L371 R372 E378 R379	L371-A375 WeakPolarHBondContact O-CB 3.26Å; L371-A375 PolarHBondContact O-N 3.49Å; R372-A375 PolarHBondContact O-N 2.87Å; A375-E378 PolarHBondContact O-N 3.13Å; A375-R379 VanDerWaalsContact O-CB 3.28Å; A375-R379 WeakPolarHBondContact O-CB 3.33Å; A375-R379 PolarHBondContact O-N 2.93Å
376	D	79.5	Confident	82	Confident	59 Å²	59	106 Å²	106	32%	0.316	51%	0.51	S	S	.	.	H	α-helix	trans	-68.3	-40.3	176.1	-80.9	-33.5	0	0	0	111.8	R372 L374 R379 D380	R372-D376 WeakPolarHBondContact O-CB 3.46Å; R372-D376 PolarHBondContact O-N 3.42Å; L374-D376 PolarHBondContact O-N 3.37Å; D376-R379 PolarHBondContact O-N 3.28Å; D376-R379 IonicContact OD1-CZ 3.04Å; D376-R379 IonicContact OD1-NE 3.55Å; D376-R379 IonicContact OD1-NH1 2.68Å; D376-R379 PolarHBondContact OD1-NH1 3.43Å; D376-R379 VanDerWaalsContact OD1-NH1 3.08Å; D376-R379 IonicContact OD1-NH2 3.42Å; D376-D380 WeakPolarHBondContact O-CB 3.49Å; D376-D380 PolarHBondContact O-N 3.48Å
377	K	87.4	Confident	82.5	Confident	154 Å²	154	103.1 Å²	103.1	67%	0.67	51%	0.506	S	S	*	.	H	α-helix	trans	-60.3	-44.5	172.2	-77.2	177.2	-177	178.9	0	111.9	A373 L374 D380 R381	A373-K377 WeakPolarHBondContact O-CG 3.06Å; A373-K377 PolarHBondContact O-N 3.16Å; A373-K377 VanDerWaalsContact O-N 3.07Å; L374-K377 PolarHBondContact O-N 2.85Å; K377-D380 PolarHBondContact O-N 3.47Å; K377-R381 PolarHBondContact O-N 2.87Å
378	E	84.8	Confident	82.8	Confident	80 Å²	80	104.9 Å²	104.9	37%	0.374	51%	0.507	S	S	.	.	H	α-helix	trans	-67.1	-40.7	178.5	-177.7	58.5	-166.9	0	0	111.8	L374 A375 D380 R381 L382	L374-E378 PolarHBondContact O-N 3.03Å; A375-E378 PolarHBondContact O-N 3.13Å; E378-D380 VanDerWaalsContact C-N 3.32Å; E378-D380 PolarHBondContact O-N 2.75Å; E378-R381 WeakPolarHBondContact O-CB 3.29Å; E378-R381 PolarHBondContact O-N 3.08Å; E378-R381 IonicContact OE1-CZ 3.93Å; E378-R381 IonicContact OE1-NE 3.87Å; E378-R381 PolarHBondContact OE1-NE 3.07Å; E378-R381 IonicContact OE1-NH2 2.61Å; E378-R381 PolarHBondContact OE1-NH2 2.72Å; E378-R381 IonicContact OE2-CZ 3.46Å; E378-R381 IonicContact OE2-NE 3.28Å; E378-R381 PolarHBondContact OE2-NE 2.79Å; E378-R381 IonicContact OE2-NH2 3.57Å; E378-L382 HydrophobicContact CG-CD1 4.42Å; E378-L382 WeakPolarHBondContact O-CG 3.4Å; E378-L382 PolarHBondContact O-N 3.24Å
379	R	81.8	Confident	83.2	Confident	113 Å²	113	102.1 Å²	102.1	43%	0.426	50%	0.495	S	S	.	.	H	α-helix	trans	-59.2	-43.6	172.9	-176.5	-157.4	71.3	-169.4	-2.4	111.4	A375 D376 L382 K383	A375-R379 VanDerWaalsContact O-CB 3.28Å; A375-R379 WeakPolarHBondContact O-CB 3.33Å; A375-R379 PolarHBondContact O-N 2.93Å; D376-R379 PolarHBondContact O-N 3.28Å; D376-R379 IonicContact OD1-CZ 3.04Å; D376-R379 IonicContact OD1-NE 3.55Å; D376-R379 IonicContact OD1-NH1 2.68Å; D376-R379 PolarHBondContact OD1-NH1 3.43Å; D376-R379 VanDerWaalsContact OD1-NH1 3.08Å; D376-R379 IonicContact OD1-NH2 3.42Å; R379-L382 PolarHBondContact O-N 2.74Å; R379-K383 WeakPolarHBondContact O-CB 3.45Å; R379-K383 VanDerWaalsContact O-CG 3.32Å; R379-K383 WeakPolarHBondContact O-CG 3.3Å; R379-K383 PolarHBondContact O-N 2.94Å
380	D	84.4	Confident	83.4	Confident	67 Å²	67	100.7 Å²	100.7	36%	0.358	49%	0.493	S	S	.	.	H	α-helix	trans	-70.4	-34.8	-179.6	-68.5	-11.1	0	0	0	111.6	D376 K377 E378 K383 Q384	D376-D380 WeakPolarHBondContact O-CB 3.49Å; D376-D380 PolarHBondContact O-N 3.48Å; K377-D380 PolarHBondContact O-N 3.47Å; E378-D380 VanDerWaalsContact C-N 3.32Å; E378-D380 PolarHBondContact O-N 2.75Å; D380-K383 PolarHBondContact O-N 2.92Å; D380-K383 IonicContact OD1-NZ 3.66Å; D380-Q384 WeakPolarHBondContact O-CG 3.46Å; D380-Q384 PolarHBondContact O-N 2.9Å; D380-Q384 VanDerWaalsContact O-N 3.1Å
381	R	89.2	Confident	83.5	Confident	128 Å²	128	100.5 Å²	100.5	48%	0.483	49%	0.492	S	S	.	.	H	α-helix	trans	-58.5	-52.4	169.1	-172.7	-176.8	79.9	88.5	0.9	111.5	K377 E378 K383 Q384 E385	K377-R381 PolarHBondContact O-N 2.87Å; E378-R381 WeakPolarHBondContact O-CB 3.29Å; E378-R381 PolarHBondContact O-N 3.08Å; E378-R381 IonicContact OE1-CZ 3.93Å; E378-R381 IonicContact OE1-NE 3.87Å; E378-R381 PolarHBondContact OE1-NE 3.07Å; E378-R381 IonicContact OE1-NH2 2.61Å; E378-R381 PolarHBondContact OE1-NH2 2.72Å; E378-R381 IonicContact OE2-CZ 3.46Å; E378-R381 IonicContact OE2-NE 3.28Å; E378-R381 PolarHBondContact OE2-NE 2.79Å; E378-R381 IonicContact OE2-NH2 3.57Å; R381-K383 VanDerWaalsContact C-N 3.31Å; R381-K383 PolarHBondContact O-N 2.89Å; R381-Q384 PolarHBondContact O-N 2.89Å; R381-E385 IonicContact NH1-OE2 3.46Å; R381-E385 PolarHBondContact O-N 2.84Å
382	L	82.3	Confident	83.5	Confident	76 Å²	76	98.8 Å²	98.8	40%	0.398	48%	0.481	S	S	.	.	H	α-helix	trans	-63.2	-35.8	179.1	-69.8	172.5	0	0	0	112.3	E378 R379 E385 I386	E378-L382 HydrophobicContact CG-CD1 4.42Å; E378-L382 WeakPolarHBondContact O-CG 3.4Å; E378-L382 PolarHBondContact O-N 3.24Å; R379-L382 PolarHBondContact O-N 2.74Å; L382-E385 PolarHBondContact O-N 3.42Å; L382-I386 WeakPolarHBondContact O-CB 3.44Å; L382-I386 VanDerWaalsContact O-CG1 3.28Å; L382-I386 WeakPolarHBondContact O-CG1 3.31Å; L382-I386 PolarHBondContact O-N 3.15Å
383	K	82.3	Confident	83.4	Confident	112 Å²	112	93.4 Å²	93.4	49%	0.487	46%	0.464	S	S	.	.	H	α-helix	trans	-62.8	-42	174.6	-80	175.4	179.5	176	0	112.4	R379 D380 R381 A387	R379-K383 WeakPolarHBondContact O-CB 3.45Å; R379-K383 VanDerWaalsContact O-CG 3.32Å; R379-K383 WeakPolarHBondContact O-CG 3.3Å; R379-K383 PolarHBondContact O-N 2.94Å; D380-K383 PolarHBondContact O-N 2.92Å; D380-K383 IonicContact OD1-NZ 3.66Å; R381-K383 VanDerWaalsContact C-N 3.31Å; R381-K383 PolarHBondContact O-N 2.89Å; K383-A387 WeakPolarHBondContact O-CB 3.4Å; K383-A387 PolarHBondContact O-N 2.78Å
384	Q	86.8	Confident	83.4	Confident	134 Å²	134	95.4 Å²	95.4	63%	0.626	47%	0.467	S	S	*	.	H	α-helix	trans	-64.9	-43.2	176.2	-71.4	174.2	0.3	0	0	111.2	D380 R381 A387 I388	D380-Q384 WeakPolarHBondContact O-CG 3.46Å; D380-Q384 PolarHBondContact O-N 2.9Å; D380-Q384 VanDerWaalsContact O-N 3.1Å; R381-Q384 PolarHBondContact O-N 2.89Å; Q384-A387 WeakPolarHBondContact O-CB 3.5Å; Q384-A387 PolarHBondContact O-N 3.18Å; Q384-I388 WeakPolarHBondContact O-CG1 3.33Å; Q384-I388 PolarHBondContact O-N 3.08Å
385	E	83.3	Confident	83.1	Confident	89 Å²	89	92 Å²	92	42%	0.416	46%	0.457	S	S	.	.	H	α-helix	trans	-61.6	-44.9	177.2	-167.8	168.1	-170.4	0	0	111.9	R381 L382 A387 I388 L389	R381-E385 IonicContact NH1-OE2 3.46Å; R381-E385 PolarHBondContact O-N 2.84Å; L382-E385 PolarHBondContact O-N 3.42Å; E385-A387 VanDerWaalsContact C-N 3.32Å; E385-A387 PolarHBondContact O-N 2.78Å; E385-I388 PolarHBondContact O-N 2.92Å; E385-L389 WeakPolarHBondContact O-CG 3.49Å; E385-L389 PolarHBondContact O-N 3.28Å
386	I	80	Confident	83	Confident	91 Å²	91	89.8 Å²	89.8	47%	0.467	44%	0.438	S	S	.	.	H	α-helix	trans	-61.8	-38.3	174.1	-70.5	168	0	0	0	111.8	L382 L389 K390	L382-I386 WeakPolarHBondContact O-CB 3.44Å; L382-I386 VanDerWaalsContact O-CG1 3.28Å; L382-I386 WeakPolarHBondContact O-CG1 3.31Å; L382-I386 PolarHBondContact O-N 3.15Å; I386-L389 PolarHBondContact O-N 3.43Å; I386-K390 HydrophobicContact CG2-CD 4.19Å; I386-K390 HydrophobicContact CG2-CG 4.43Å; I386-K390 WeakPolarHBondContact O-CB 3.49Å; I386-K390 VanDerWaalsContact O-CG 3.32Å; I386-K390 WeakPolarHBondContact O-CG 3.29Å; I386-K390 PolarHBondContact O-N 2.99Å
387	A	84.2	Confident	83.2	Confident	56 Å²	56	92 Å²	92	46%	0.463	45%	0.447	S	S	.	.	H	α-helix	trans	-63.9	-43.3	177.9	0	0	0	0	0	111.6	K383 Q384 E385 K390 E391	K383-A387 WeakPolarHBondContact O-CB 3.4Å; K383-A387 PolarHBondContact O-N 2.78Å; Q384-A387 WeakPolarHBondContact O-CB 3.5Å; Q384-A387 PolarHBondContact O-N 3.18Å; E385-A387 VanDerWaalsContact C-N 3.32Å; E385-A387 PolarHBondContact O-N 2.78Å; A387-K390 PolarHBondContact O-N 3.25Å; A387-E391 PolarHBondContact O-N 3.35Å; A387-E391 VanDerWaalsContact O-N 3.08Å
388	I	85.1	Confident	83	Confident	94 Å²	94	90.1 Å²	90.1	48%	0.482	44%	0.44	S	S	.	.	H	α-helix	trans	-63.1	-47.1	175.8	-66	166.1	0	0	0	110.7	Q384 E385 K390 E391 Q392	Q384-I388 WeakPolarHBondContact O-CG1 3.33Å; Q384-I388 PolarHBondContact O-N 3.08Å; E385-I388 PolarHBondContact O-N 2.92Å; I388-K390 VanDerWaalsContact C-N 3.31Å; I388-K390 PolarHBondContact O-N 2.9Å; I388-E391 PolarHBondContact O-N 3.02Å; I388-Q392 WeakPolarHBondContact O-CG 3.38Å; I388-Q392 PolarHBondContact O-N 3.46Å
389	L	82.2	Confident	82.8	Confident	57 Å²	57	88 Å²	88	30%	0.298	44%	0.436	S	S	.	.	H	α-helix	trans	-61.4	-39.5	178.4	-70.4	170.6	0	0	0	111.9	E385 I386 Q392 I393 V501	E385-L389 WeakPolarHBondContact O-CG 3.49Å; E385-L389 PolarHBondContact O-N 3.28Å; I386-L389 PolarHBondContact O-N 3.43Å; L389-Q392 PolarHBondContact O-N 3.44Å; L389-I393 WeakPolarHBondContact O-CG1 3.49Å; L389-I393 PolarHBondContact O-N 3.35Å; L389-V501 HydrophobicContact CD2-CG1 4.06Å
390	K	80.7	Confident	82.9	Confident	132 Å²	132	83.7 Å²	83.7	57%	0.574	42%	0.422	S	S	*	.	H	α-helix	trans	-62.5	-44.6	175.4	-78.8	179	178.1	-176.6	0	112.3	I386 A387 I388 Q392 I393 I394	I386-K390 HydrophobicContact CG2-CD 4.19Å; I386-K390 HydrophobicContact CG2-CG 4.43Å; I386-K390 WeakPolarHBondContact O-CB 3.49Å; I386-K390 VanDerWaalsContact O-CG 3.32Å; I386-K390 WeakPolarHBondContact O-CG 3.29Å; I386-K390 PolarHBondContact O-N 2.99Å; A387-K390 PolarHBondContact O-N 3.25Å; I388-K390 VanDerWaalsContact C-N 3.31Å; I388-K390 PolarHBondContact O-N 2.9Å; K390-Q392 VanDerWaalsContact C-N 3.31Å; K390-Q392 PolarHBondContact O-N 3.24Å; K390-I393 PolarHBondContact O-N 3.02Å; K390-I394 WeakPolarHBondContact O-CG1 3.42Å; K390-I394 PolarHBondContact O-N 2.99Å
391	E	86.1	Confident	82.7	Confident	143 Å²	143	86.6 Å²	86.6	67%	0.668	43%	0.431	S	S	*	.	H	α-helix	trans	-62.2	-40.7	176.6	-170.4	174.2	-175.8	0	0	111.2	A387 I388 I394 A395	A387-E391 PolarHBondContact O-N 3.35Å; A387-E391 VanDerWaalsContact O-N 3.08Å; I388-E391 PolarHBondContact O-N 3.02Å; E391-I394 PolarHBondContact O-N 3.19Å; E391-A395 WeakPolarHBondContact O-CB 3.36Å; E391-A395 PolarHBondContact O-N 3Å
392	Q	81.2	Confident	82.3	Confident	93 Å²	93	87.6 Å²	87.6	44%	0.435	44%	0.435	S	S	.	.	H	α-helix	trans	-63.4	-42	174.7	-71.2	176.9	-2.3	0	0	113	I388 L389 K390 A395 A396	I388-Q392 WeakPolarHBondContact O-CG 3.38Å; I388-Q392 PolarHBondContact O-N 3.46Å; L389-Q392 PolarHBondContact O-N 3.44Å; K390-Q392 VanDerWaalsContact C-N 3.31Å; K390-Q392 PolarHBondContact O-N 3.24Å; Q392-A395 PolarHBondContact O-N 3.09Å; Q392-A396 VanDerWaalsContact O-CB 3.31Å; Q392-A396 WeakPolarHBondContact O-CB 3.48Å; Q392-A396 PolarHBondContact O-N 3Å
393	I	79.7	Confident	82.1	Confident	52 Å²	52	84.5 Å²	84.5	27%	0.267	42%	0.42	S	S	.	.	H	α-helix	trans	-61.3	-47.4	175.7	-70.5	169.7	0	0	0	110.5	L389 K390 A395 A396 Q397 L498 V501	L389-I393 WeakPolarHBondContact O-CG1 3.49Å; L389-I393 PolarHBondContact O-N 3.35Å; K390-I393 PolarHBondContact O-N 3.02Å; I393-A395 PolarHBondContact O-N 3.34Å; I393-A396 PolarHBondContact O-N 3.42Å; I393-Q397 HydrophobicContact CG2-CG 4.37Å; I393-Q397 WeakPolarHBondContact O-CB 3.45Å; I393-Q397 WeakPolarHBondContact O-CG 3.46Å; I393-Q397 PolarHBondContact O-N 3.26Å; I393-L498 HydrophobicContact CG2-CD1 4.15Å; I393-V501 HydrophobicContact CD1-CG1 3.95Å; I393-V501 HydrophobicContact CG1-CB 4.37Å; I393-V501 HydrophobicContact CG1-CG1 3.5Å; I393-V501 VanDerWaalsContact CG1-CG1 3.5Å
394	I	82.3	Confident	82	Confident	92 Å²	92	82.5 Å²	82.5	47%	0.472	41%	0.412	S	S	.	.	H	α-helix	trans	-60.6	-48.4	179.3	-68	167.2	0	0	0	110	K390 E391 A396 Q397 E398	K390-I394 WeakPolarHBondContact O-CG1 3.42Å; K390-I394 PolarHBondContact O-N 2.99Å; E391-I394 PolarHBondContact O-N 3.19Å; I394-A396 VanDerWaalsContact C-N 3.33Å; I394-A396 PolarHBondContact O-N 3.37Å; I394-Q397 PolarHBondContact O-N 2.92Å; I394-E398 HydrophobicContact CG2-CG 4.47Å; I394-E398 WeakPolarHBondContact O-CG 3.44Å; I394-E398 PolarHBondContact O-N 2.98Å
395	A	81.1	Confident	81.9	Confident	52 Å²	52	80.8 Å²	80.8	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-61.2	-39.8	178.7	0	0	0	0	0	112.6	E391 Q392 I393 A399	E391-A395 WeakPolarHBondContact O-CB 3.36Å; E391-A395 PolarHBondContact O-N 3Å; Q392-A395 PolarHBondContact O-N 3.09Å; I393-A395 PolarHBondContact O-N 3.34Å; A395-A399 WeakPolarHBondContact O-CB 3.27Å; A395-A399 PolarHBondContact O-N 2.74Å
396	A	79.4	Confident	81.8	Confident	11 Å²	11	79.9 Å²	79.9	9%	0.091	41%	0.405	C	S	.	.	H	α-helix	trans	-67.2	-41.1	176.5	0	0	0	0	0	112.1	Q392 I393 I394 A399 L400 L498	Q392-A396 VanDerWaalsContact O-CB 3.31Å; Q392-A396 WeakPolarHBondContact O-CB 3.48Å; Q392-A396 PolarHBondContact O-N 3Å; I393-A396 PolarHBondContact O-N 3.42Å; I394-A396 VanDerWaalsContact C-N 3.33Å; I394-A396 PolarHBondContact O-N 3.37Å; A396-A399 PolarHBondContact O-N 3.3Å; A396-L400 WeakPolarHBondContact O-CB 3.43Å; A396-L400 PolarHBondContact O-N 2.83Å; A396-L498 HydrophobicContact CB-CB 4.34Å; A396-L498 HydrophobicContact CB-CD1 4.15Å
397	Q	83.2	Confident	81.8	Confident	106 Å²	106	75.8 Å²	75.8	50%	0.495	38%	0.384	S	S	.	.	H	α-helix	trans	-64.5	-43.7	175.4	-74.7	178.2	-26.5	0	0	112	I393 I394 A399 L400 K401 L498	I393-Q397 HydrophobicContact CG2-CG 4.37Å; I393-Q397 WeakPolarHBondContact O-CB 3.45Å; I393-Q397 WeakPolarHBondContact O-CG 3.46Å; I393-Q397 PolarHBondContact O-N 3.26Å; I394-Q397 PolarHBondContact O-N 2.92Å; Q397-A399 VanDerWaalsContact C-N 3.34Å; Q397-A399 PolarHBondContact O-N 3.45Å; Q397-L400 PolarHBondContact O-N 2.84Å; Q397-K401 WeakPolarHBondContact O-CB 3.26Å; Q397-K401 PolarHBondContact O-N 2.94Å; Q397-L498 HydrophobicContact CG-CD1 4.11Å
398	E	84	Confident	81.8	Confident	114 Å²	114	78.7 Å²	78.7	53%	0.533	39%	0.392	S	S	.	.	H	α-helix	trans	-66.1	-35.4	176.1	-73.1	-177.8	173.7	0	0	112.6	I394 R402	I394-E398 HydrophobicContact CG2-CG 4.47Å; I394-E398 WeakPolarHBondContact O-CG 3.44Å; I394-E398 PolarHBondContact O-N 2.98Å; E398-R402 WeakPolarHBondContact O-CB 3.38Å; E398-R402 WeakPolarHBondContact O-CG 3.41Å; E398-R402 PolarHBondContact O-N 2.81Å; E398-R402 VanDerWaalsContact O-N 3.15Å; E398-R402 PolarHBondContact O-NE 3.37Å
399	A	80.2	Confident	81.7	Confident	35 Å²	35	79 Å²	79	29%	0.289	39%	0.394	S	S	.	.	H	α-helix	trans	-67.9	-42.4	173.8	0	0	0	0	0	111.7	A395 A396 Q397 R402 S403 A494	A395-A399 WeakPolarHBondContact O-CB 3.27Å; A395-A399 PolarHBondContact O-N 2.74Å; A396-A399 PolarHBondContact O-N 3.3Å; Q397-A399 VanDerWaalsContact C-N 3.34Å; Q397-A399 PolarHBondContact O-N 3.45Å; A399-R402 PolarHBondContact O-N 3.38Å; A399-S403 WeakPolarHBondContact O-CB 3.49Å; A399-S403 PolarHBondContact O-N 3.47Å; A399-A494 HydrophobicContact CB-CB 4.38Å
400	L	83.3	Confident	81.8	Confident	23 Å²	23	77.5 Å²	77.5	12%	0.12	39%	0.387	C	S	.	.	H	α-helix	trans	-59.9	-51.7	176.3	179.7	59.6	0	0	0	110.9	A396 Q397 R402 S403 E404 E491 A494 R495	A396-L400 WeakPolarHBondContact O-CB 3.43Å; A396-L400 PolarHBondContact O-N 2.83Å; Q397-L400 PolarHBondContact O-N 2.84Å; L400-R402 PolarHBondContact O-N 3.37Å; L400-S403 WeakPolarHBondContact O-CB 3.39Å; L400-S403 PolarHBondContact O-N 3.27Å; L400-S403 VanDerWaalsContact O-N 3.07Å; L400-E404 HydrophobicContact CD1-CG 4.23Å; L400-E404 WeakPolarHBondContact O-CG 3.43Å; L400-E404 PolarHBondContact O-N 2.77Å; L400-E491 HydrophobicContact CD1-CG 3.72Å; L400-A494 HydrophobicContact CB-CB 4.12Å; L400-A494 HydrophobicContact CD1-CB 4.36Å; L400-R495 HydrophobicContact CD1-CG 3.57Å; L400-R495 HydrophobicContact CD2-CG 4.07Å; L400-R495 HydrophobicContact CG-CG 4.48Å
401	K	80.5	Confident	82	Confident	129 Å²	129	73 Å²	73	56%	0.561	37%	0.374	S	S	*	.	H	α-helix	trans	-56.4	-47.4	178.8	-175.8	-177.6	175	-171.9	0	112.2	Q397 S403 E404 E405	Q397-K401 WeakPolarHBondContact O-CB 3.26Å; Q397-K401 PolarHBondContact O-N 2.94Å; K401-S403 VanDerWaalsContact C-N 3.29Å; K401-S403 PolarHBondContact O-N 3.14Å; K401-E404 PolarHBondContact O-N 3.15Å; K401-E405 WeakPolarHBondContact CE-OE1 3.35Å; K401-E405 IonicContact NZ-OE1 3.8Å; K401-E405 WeakPolarHBondContact O-CG 3.38Å; K401-E405 PolarHBondContact O-N 2.64Å
402	R	80.9	Confident	82.1	Confident	148 Å²	148	71.9 Å²	71.9	56%	0.558	37%	0.369	S	S	*	.	H	α-helix	trans	-62	-37.2	177.3	-78.4	-177.3	-72.8	153.7	-9.5	112.4	E398 A399 L400 T406	E398-R402 WeakPolarHBondContact O-CB 3.38Å; E398-R402 WeakPolarHBondContact O-CG 3.41Å; E398-R402 PolarHBondContact O-N 2.81Å; E398-R402 VanDerWaalsContact O-N 3.15Å; E398-R402 PolarHBondContact O-NE 3.37Å; A399-R402 PolarHBondContact O-N 3.38Å; L400-R402 PolarHBondContact O-N 3.37Å; R402-T406 WeakPolarHBondContact O-CB 3.33Å; R402-T406 PolarHBondContact O-N 2.84Å; R402-T406 VanDerWaalsContact O-N 3.07Å; R402-T406 PolarHBondContact O-OG1 3.28Å
403	S	78.9	Confident	82.3	Confident	12 Å²	12	73.3 Å²	73.3	8%	0.084	37%	0.373	C	S	.	.	H	α-helix	trans	-70.7	-40.7	179.1	-159	0	0	0	0	112.1	A399 L400 K401 T406 A407 A487 E491	A399-S403 WeakPolarHBondContact O-CB 3.49Å; A399-S403 PolarHBondContact O-N 3.47Å; L400-S403 WeakPolarHBondContact O-CB 3.39Å; L400-S403 PolarHBondContact O-N 3.27Å; L400-S403 VanDerWaalsContact O-N 3.07Å; K401-S403 VanDerWaalsContact C-N 3.29Å; K401-S403 PolarHBondContact O-N 3.14Å; S403-T406 PolarHBondContact O-N 2.98Å; S403-A407 WeakPolarHBondContact O-CB 3.46Å; S403-A407 PolarHBondContact O-N 3.48Å; S403-A487 PolarHBondContact OG-O 2.93Å; S403-E491 WeakPolarHBondContact OG-CA 3.38Å; S403-E491 PolarHBondContact OG-N 2.74Å
404	E	80.1	Confident	82.5	Confident	70 Å²	70	71 Å²	71	33%	0.327	36%	0.362	S	S	.	.	H	α-helix	trans	-60.9	-51	174.5	-72.1	174.6	164	0	0	110.6	L400 K401 T406 A407 D408 E491 R495	L400-E404 HydrophobicContact CD1-CG 4.23Å; L400-E404 WeakPolarHBondContact O-CG 3.43Å; L400-E404 PolarHBondContact O-N 2.77Å; K401-E404 PolarHBondContact O-N 3.15Å; E404-T406 VanDerWaalsContact C-N 3.27Å; E404-T406 PolarHBondContact O-N 3.33Å; E404-A407 PolarHBondContact O-N 2.72Å; E404-A407 VanDerWaalsContact O-N 3.13Å; E404-D408 PolarHBondContact O-N 3.04Å; E404-E491 HydrophobicContact CG-CG 4.09Å; E404-R495 IonicContact OE1-CZ 3.33Å; E404-R495 IonicContact OE1-NH2 2.78Å; E404-R495 PolarHBondContact OE1-NH2 2.97Å
405	E	83.1	Confident	82.7	Confident	98 Å²	98	71.8 Å²	71.8	46%	0.458	36%	0.364	S	S	.	.	H	α-helix	trans	-58.1	-38.2	176.5	-71.2	172.3	173.7	0	0	112.4	K401 L409	K401-E405 WeakPolarHBondContact CE-OE1 3.35Å; K401-E405 IonicContact NZ-OE1 3.8Å; K401-E405 WeakPolarHBondContact O-CG 3.38Å; K401-E405 PolarHBondContact O-N 2.64Å; E405-L409 WeakPolarHBondContact O-CG 3.37Å; E405-L409 PolarHBondContact O-N 3.36Å
406	T	81.3	Confident	83	Confident	69 Å²	69	72.8 Å²	72.8	42%	0.423	36%	0.361	S	S	.	.	H	α-helix	trans	-70	-40.2	177.7	-56.7	0	0	0	0	111.8	R402 S403 E404 L410 A487	R402-T406 WeakPolarHBondContact O-CB 3.33Å; R402-T406 PolarHBondContact O-N 2.84Å; R402-T406 VanDerWaalsContact O-N 3.07Å; R402-T406 PolarHBondContact O-OG1 3.28Å; S403-T406 PolarHBondContact O-N 2.98Å; E404-T406 VanDerWaalsContact C-N 3.27Å; E404-T406 PolarHBondContact O-N 3.33Å; T406-L410 HydrophobicContact CG2-CD1 3.94Å; T406-L410 HydrophobicContact CG2-CG 4.48Å; T406-L410 WeakPolarHBondContact O-CB 3.43Å; T406-L410 VanDerWaalsContact O-CG 3.29Å; T406-L410 WeakPolarHBondContact O-CG 3.47Å; T406-L410 PolarHBondContact O-N 3.43Å; T406-A487 HydrophobicContact CG2-CB 4.35Å
407	A	81.1	Confident	83.1	Confident	5 Å²	5	72.5 Å²	72.5	4%	0.041	36%	0.359	C	S	.	.	H	α-helix	trans	-65	-42.9	178.4	0	0	0	0	0	111.4	S403 E404 L410 A411 L484 A487	S403-A407 WeakPolarHBondContact O-CB 3.46Å; S403-A407 PolarHBondContact O-N 3.48Å; E404-A407 PolarHBondContact O-N 2.72Å; E404-A407 VanDerWaalsContact O-N 3.13Å; A407-L410 PolarHBondContact O-N 3.06Å; A407-A411 WeakPolarHBondContact O-CB 3.37Å; A407-A411 PolarHBondContact O-N 3.12Å; A407-L484 HydrophobicContact CB-CD1 3.99Å; A407-L484 WeakPolarHBondContact O-CD1 3.33Å; A407-A487 HydrophobicContact CB-CB 4.18Å
408	D	82.8	Confident	83.3	Confident	117 Å²	117	71.5 Å²	71.5	63%	0.626	35%	0.354	S	S	*	.	H	α-helix	trans	-61.5	-46.8	177.3	-72.3	-18.3	0	0	0	111.6	E404 L410 A411 E412	E404-D408 PolarHBondContact O-N 3.04Å; D408-L410 VanDerWaalsContact C-N 3.35Å; D408-L410 PolarHBondContact O-N 3.47Å; D408-A411 PolarHBondContact O-N 2.7Å; D408-E412 PolarHBondContact O-N 3.46Å
409	L	84	Confident	83.5	Confident	101 Å²	101	71 Å²	71	53%	0.529	35%	0.351	S	S	.	.	H	α-helix	trans	-62.2	-39	177.4	-74.1	172	0	0	0	113	E405 K413	E405-L409 WeakPolarHBondContact O-CG 3.37Å; E405-L409 PolarHBondContact O-N 3.36Å; L409-K413 WeakPolarHBondContact O-CB 3.48Å; L409-K413 WeakPolarHBondContact O-CG 3.4Å; L409-K413 PolarHBondContact O-N 3.46Å; L409-K413 VanDerWaalsContact O-N 3.07Å
410	L	85.2	Confident	83.8	Confident	26 Å²	26	72.4 Å²	72.4	14%	0.136	35%	0.352	C	S	.	.	H	α-helix	trans	-70.4	-38	177.9	-73.8	170.1	0	0	0	111.8	T406 A407 D408 A414 L480 D483 L484 A487	T406-L410 HydrophobicContact CG2-CD1 3.94Å; T406-L410 HydrophobicContact CG2-CG 4.48Å; T406-L410 WeakPolarHBondContact O-CB 3.43Å; T406-L410 VanDerWaalsContact O-CG 3.29Å; T406-L410 WeakPolarHBondContact O-CG 3.47Å; T406-L410 PolarHBondContact O-N 3.43Å; A407-L410 PolarHBondContact O-N 3.06Å; D408-L410 VanDerWaalsContact C-N 3.35Å; D408-L410 PolarHBondContact O-N 3.47Å; L410-A414 VanDerWaalsContact O-CB 3.3Å; L410-A414 WeakPolarHBondContact O-CB 3.41Å; L410-A414 PolarHBondContact O-N 3.24Å; L410-L480 HydrophobicContact CD2-CD2 3.81Å; L410-D483 HydrophobicContact CD1-CB 3.85Å; L410-D483 HydrophobicContact CD2-CB 3.82Å; L410-D483 HydrophobicContact CG-CB 4.45Å; L410-L484 HydrophobicContact CB-CB 4.22Å; L410-L484 HydrophobicContact CB-CD1 4.19Å; L410-A487 HydrophobicContact CD1-CB 3.94Å
411	A	83.9	Confident	84	Confident	38 Å²	38	71.6 Å²	71.6	31%	0.314	35%	0.349	S	S	.	.	H	α-helix	trans	-64.3	-44.8	175.8	0	0	0	0	0	111.6	A407 D408 A414 H415 L484	A407-A411 WeakPolarHBondContact O-CB 3.37Å; A407-A411 PolarHBondContact O-N 3.12Å; D408-A411 PolarHBondContact O-N 2.7Å; A411-A414 PolarHBondContact O-N 3.07Å; A411-H415 WeakPolarHBondContact O-CB 3.27Å; A411-H415 PolarHBondContact O-N 2.8Å; A411-L484 HydrophobicContact CB-CD1 4.21Å; A411-L484 HydrophobicContact CB-CD2 4.12Å
412	E	87.3	Confident	84.5	Confident	119 Å²	119	71 Å²	71	56%	0.556	35%	0.351	S	S	*	.	H	α-helix	trans	-61.8	-47.2	176.4	-172.4	179.1	-175.2	0	0	111.4	D408 A414 H415 I416	D408-E412 PolarHBondContact O-N 3.46Å; E412-A414 PolarHBondContact O-N 3.31Å; E412-H415 PolarHBondContact O-N 3.38Å; E412-I416 HydrophobicContact CG-CD1 4.07Å; E412-I416 WeakPolarHBondContact O-CG1 3.46Å; E412-I416 PolarHBondContact O-N 2.87Å
413	K	86	Confident	85	Confident	122 Å²	122	67.3 Å²	67.3	53%	0.53	35%	0.345	S	S	.	.	H	α-helix	trans	-62.1	-42.6	177	-74.8	-178.2	178.5	-175.8	0	112.6	L409 H415 I416 S417 L480	L409-K413 WeakPolarHBondContact O-CB 3.48Å; L409-K413 WeakPolarHBondContact O-CG 3.4Å; L409-K413 PolarHBondContact O-N 3.46Å; L409-K413 VanDerWaalsContact O-N 3.07Å; K413-H415 VanDerWaalsContact C-N 3.3Å; K413-H415 PolarHBondContact O-N 2.67Å; K413-I416 PolarHBondContact O-N 2.86Å; K413-S417 PolarHBondContact O-N 2.8Å; K413-S417 PolarHBondContact O-OG 3.08Å; K413-L480 HydrophobicContact CB-CD1 3.77Å; K413-L480 HydrophobicContact CB-CD2 4.11Å; K413-L480 HydrophobicContact CD-CD2 4.38Å
414	A	84.7	Confident	85.4	Confident	4 Å²	4	67.8 Å²	67.8	3%	0.033	35%	0.346	C	S	.	.	H	α-helix	trans	-61.5	-41.8	179.1	0	0	0	0	0	111.2	L410 A411 E412 E418 L480 K481	L410-A414 VanDerWaalsContact O-CB 3.3Å; L410-A414 WeakPolarHBondContact O-CB 3.41Å; L410-A414 PolarHBondContact O-N 3.24Å; A411-A414 PolarHBondContact O-N 3.07Å; E412-A414 PolarHBondContact O-N 3.31Å; A414-E418 WeakPolarHBondContact O-CB 3.23Å; A414-E418 PolarHBondContact O-N 2.95Å; A414-L480 HydrophobicContact CB-CB 3.82Å; A414-K481 HydrophobicContact CB-CG 4.22Å
415	H	85.9	Confident	85.8	Confident	108 Å²	108	67.9 Å²	67.9	50%	0.5	35%	0.352	S	S	.	.	H	α-helix	trans	-62.4	-47.3	176.1	-174.6	-83.2	0	0	0	111.8	A411 E412 K413 S417 E418 E419	A411-H415 WeakPolarHBondContact O-CB 3.27Å; A411-H415 PolarHBondContact O-N 2.8Å; E412-H415 PolarHBondContact O-N 3.38Å; K413-H415 VanDerWaalsContact C-N 3.3Å; K413-H415 PolarHBondContact O-N 2.67Å; H415-S417 PolarHBondContact O-N 2.94Å; H415-E418 PolarHBondContact O-N 3.42Å; H415-E419 IonicContact CE1-OE1 2.68Å; H415-E419 PolarHBondContact CE1-OE1 3.25Å; H415-E419 VanDerWaalsContact CE1-OE1 3.28Å; H415-E419 IonicContact CE1-OE2 2.83Å; H415-E419 PolarHBondContact CE1-OE2 3.38Å; H415-E419 IonicContact ND1-OE2 3.46Å; H415-E419 PolarHBondContact ND1-OE2 2.94Å; H415-E419 PolarHBondContact O-N 3.27Å
416	I	86.7	Confident	86.2	Confident	74 Å²	74	70.1 Å²	70.1	38%	0.379	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-47.6	178.5	-67.4	166.5	0	0	0	110.9	E412 K413 E418 E419 E420	E412-I416 HydrophobicContact CG-CD1 4.07Å; E412-I416 WeakPolarHBondContact O-CG1 3.46Å; E412-I416 PolarHBondContact O-N 2.87Å; K413-I416 PolarHBondContact O-N 2.86Å; I416-E418 VanDerWaalsContact C-N 3.3Å; I416-E418 PolarHBondContact O-N 3.22Å; I416-E419 PolarHBondContact O-N 2.94Å; I416-E420 HydrophobicContact CG2-CG 4.42Å; I416-E420 WeakPolarHBondContact O-CB 3.48Å; I416-E420 WeakPolarHBondContact O-CG 3.47Å; I416-E420 PolarHBondContact O-N 3.44Å
417	S	82.7	Confident	86.6	Confident	5 Å²	5	73.6 Å²	73.6	4%	0.035	37%	0.365	C	S	.	.	H	α-helix	trans	-63	-35.2	178.7	-66.5	0	0	0	0	112.7	K413 H415 A421 E476	K413-S417 PolarHBondContact O-N 2.8Å; K413-S417 PolarHBondContact O-OG 3.08Å; H415-S417 PolarHBondContact O-N 2.94Å; S417-A421 WeakPolarHBondContact O-CB 3.38Å; S417-A421 PolarHBondContact O-N 3.12Å; S417-E476 PolarHBondContact OG-OE2 3.01Å
418	E	86.1	Confident	86.9	Confident	84 Å²	84	73.5 Å²	73.5	39%	0.393	37%	0.365	S	S	.	.	H	α-helix	trans	-69.8	-42.6	176	-173.8	161.8	-152.7	0	0	111.9	A414 H415 I416 A421 L422 A477 K481	A414-E418 WeakPolarHBondContact O-CB 3.23Å; A414-E418 PolarHBondContact O-N 2.95Å; H415-E418 PolarHBondContact O-N 3.42Å; I416-E418 VanDerWaalsContact C-N 3.3Å; I416-E418 PolarHBondContact O-N 3.22Å; E418-A421 PolarHBondContact O-N 2.87Å; E418-L422 WeakPolarHBondContact O-CG 3.43Å; E418-L422 PolarHBondContact O-N 3.43Å; E418-A477 HydrophobicContact CB-CB 4.34Å; E418-K481 IonicContact OE1-NZ 2.62Å; E418-K481 PolarHBondContact OE1-NZ 3.24Å; E418-K481 WeakPolarHBondContact OE2-CE 3.28Å; E418-K481 IonicContact OE2-NZ 2.96Å; E418-K481 PolarHBondContact OE2-NZ 3.11Å
419	E	88.6	Confident	87.2	Confident	103 Å²	103	70.6 Å²	70.6	48%	0.481	36%	0.357	S	S	.	.	H	α-helix	trans	-62.4	-43	172.8	-75.4	-170	136.6	0	0	112.2	H415 I416 A421 L422 V423	H415-E419 IonicContact CE1-OE1 2.68Å; H415-E419 PolarHBondContact CE1-OE1 3.25Å; H415-E419 VanDerWaalsContact CE1-OE1 3.28Å; H415-E419 IonicContact CE1-OE2 2.83Å; H415-E419 PolarHBondContact CE1-OE2 3.38Å; H415-E419 IonicContact ND1-OE2 3.46Å; H415-E419 PolarHBondContact ND1-OE2 2.94Å; H415-E419 PolarHBondContact O-N 3.27Å; I416-E419 PolarHBondContact O-N 2.94Å; E419-A421 VanDerWaalsContact C-N 3.33Å; E419-A421 PolarHBondContact O-N 2.76Å; E419-L422 PolarHBondContact O-N 3.33Å; E419-V423 WeakPolarHBondContact O-CG2 3.31Å; E419-V423 PolarHBondContact O-N 3.04Å
420	E	86.7	Confident	87.5	Confident	65 Å²	65	70.4 Å²	70.4	30%	0.304	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-42.3	175.8	-75	178.8	137.4	0	0	111.6	I416 V423 L424 R473	I416-E420 HydrophobicContact CG2-CG 4.42Å; I416-E420 WeakPolarHBondContact O-CB 3.48Å; I416-E420 WeakPolarHBondContact O-CG 3.47Å; I416-E420 PolarHBondContact O-N 3.44Å; E420-V423 PolarHBondContact O-N 3.46Å; E420-L424 WeakPolarHBondContact O-CB 3.5Å; E420-L424 WeakPolarHBondContact O-CG 3.4Å; E420-L424 PolarHBondContact O-N 2.96Å; E420-R473 HydrophobicContact CB-CG 4.38Å; E420-R473 VanDerWaalsContact CD-NH2 3.27Å; E420-R473 IonicContact OE1-CZ 2.64Å; E420-R473 IonicContact OE1-NH1 2.76Å; E420-R473 IonicContact OE1-NH2 3.38Å; E420-R473 PolarHBondContact OE1-NH2 3.49Å; E420-R473 IonicContact OE2-CZ 2.74Å; E420-R473 IonicContact OE2-NE 3.7Å; E420-R473 IonicContact OE2-NH1 2.72Å; E420-R473 PolarHBondContact OE2-NH1 2.91Å; E420-R473 IonicContact OE2-NH2 3.82Å; E420-R473 PolarHBondContact OE2-NH2 3.11Å
421	A	88.3	Confident	87.5	Confident	7 Å²	7	70.3 Å²	70.3	6%	0.058	36%	0.359	C	S	.	.	H	α-helix	trans	-63.1	-42.3	175.7	0	0	0	0	0	112.1	S417 E418 E419 L424 T425 S470 R473	S417-A421 WeakPolarHBondContact O-CB 3.38Å; S417-A421 PolarHBondContact O-N 3.12Å; E418-A421 PolarHBondContact O-N 2.87Å; E419-A421 VanDerWaalsContact C-N 3.33Å; E419-A421 PolarHBondContact O-N 2.76Å; A421-L424 PolarHBondContact O-N 3.09Å; A421-T425 WeakPolarHBondContact O-CB 3.38Å; A421-T425 PolarHBondContact O-N 2.91Å; A421-T425 PolarHBondContact O-OG1 3.28Å; A421-S470 PolarHBondContact O-OG 3.47Å; A421-S470 VanDerWaalsContact O-OG 3.1Å; A421-R473 HydrophobicContact CB-CB 3.91Å
422	L	90.3	Very high	87.6	Confident	116 Å²	116	73.2 Å²	73.2	61%	0.607	37%	0.367	S	S	*	.	H	α-helix	trans	-63.1	-42.4	176.4	-72.8	170.8	0	0	0	111.9	E418 E419 T425 K426	E418-L422 WeakPolarHBondContact O-CG 3.43Å; E418-L422 PolarHBondContact O-N 3.43Å; E419-L422 PolarHBondContact O-N 3.33Å; L422-T425 PolarHBondContact O-N 3.34Å; L422-K426 WeakPolarHBondContact O-CB 3.45Å; L422-K426 PolarHBondContact O-N 2.9Å
423	V	90.9	Very high	87.6	Confident	71 Å²	71	68.4 Å²	68.4	43%	0.43	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-44.4	176.9	171.6	0	0	0	0	111	E419 E420 K426 R427	E419-V423 WeakPolarHBondContact O-CG2 3.31Å; E419-V423 PolarHBondContact O-N 3.04Å; E420-V423 PolarHBondContact O-N 3.46Å; V423-K426 PolarHBondContact O-N 3.48Å; V423-R427 WeakPolarHBondContact O-CB 3.42Å; V423-R427 VanDerWaalsContact O-CG 3.31Å; V423-R427 WeakPolarHBondContact O-CG 3.31Å; V423-R427 PolarHBondContact O-N 3.1Å
424	L	88.2	Confident	87.5	Confident	21 Å²	21	67 Å²	67	11%	0.11	34%	0.344	C	S	.	.	H	α-helix	trans	-64.8	-42.4	177.8	-73.4	168.4	0	0	0	111.9	E420 A421 K426 R427 A428 E469 R473	E420-L424 WeakPolarHBondContact O-CB 3.5Å; E420-L424 WeakPolarHBondContact O-CG 3.4Å; E420-L424 PolarHBondContact O-N 2.96Å; A421-L424 PolarHBondContact O-N 3.09Å; L424-K426 PolarHBondContact O-N 2.76Å; L424-R427 PolarHBondContact O-N 3.48Å; L424-A428 WeakPolarHBondContact O-CB 3.29Å; L424-A428 PolarHBondContact O-N 3.11Å; L424-E469 HydrophobicContact CD1-CB 3.87Å; L424-R473 HydrophobicContact CD1-CG 4.11Å
425	T	88.5	Confident	87.4	Confident	73 Å²	73	67.3 Å²	67.3	45%	0.448	35%	0.345	S	S	.	.	H	α-helix	trans	-61.1	-44.7	175.9	-56.4	0	0	0	0	111.4	A421 L422 A428 A429 S470	A421-T425 WeakPolarHBondContact O-CB 3.38Å; A421-T425 PolarHBondContact O-N 2.91Å; A421-T425 PolarHBondContact O-OG1 3.28Å; L422-T425 PolarHBondContact O-N 3.34Å; T425-A428 PolarHBondContact O-N 2.97Å; T425-A429 PolarHBondContact O-N 2.92Å; T425-S470 PolarHBondContact OG1-OG 3.48Å
426	K	90.8	Very high	87.4	Confident	144 Å²	144	68 Å²	68	63%	0.626	35%	0.349	S	S	*	.	H	α-helix	trans	-62.1	-45	176.2	-175.4	179.1	178.8	-179.1	0	111.6	L422 V423 L424 A428 A429 D430	L422-K426 WeakPolarHBondContact O-CB 3.45Å; L422-K426 PolarHBondContact O-N 2.9Å; V423-K426 PolarHBondContact O-N 3.48Å; L424-K426 PolarHBondContact O-N 2.76Å; K426-A428 VanDerWaalsContact C-N 3.32Å; K426-A428 PolarHBondContact O-N 3.22Å; K426-A429 PolarHBondContact O-N 3.26Å; K426-D430 VanDerWaalsContact O-CG 3.29Å; K426-D430 PolarHBondContact O-N 2.94Å
427	R	89.1	Confident	87.3	Confident	142 Å²	142	70.5 Å²	70.5	54%	0.536	35%	0.353	S	S	.	.	H	α-helix	trans	-62.5	-38.7	177.3	-74.6	176.9	179	-179.8	2.3	112.4	V423 L424 D430 A431 M466	V423-R427 WeakPolarHBondContact O-CB 3.42Å; V423-R427 VanDerWaalsContact O-CG 3.31Å; V423-R427 WeakPolarHBondContact O-CG 3.31Å; V423-R427 PolarHBondContact O-N 3.1Å; L424-R427 PolarHBondContact O-N 3.48Å; R427-D430 PolarHBondContact O-N 3.2Å; R427-A431 WeakPolarHBondContact O-CB 3.3Å; R427-A431 PolarHBondContact O-N 3.05Å; R427-M466 HydrophobicContact CB-SD 3.83Å
428	A	88.1	Confident	87.1	Confident	4 Å²	4	72 Å²	72	3%	0.033	36%	0.36	C	S	.	.	H	α-helix	trans	-63	-47.1	174.6	0	0	0	0	0	111.2	L424 T425 K426 D430 A431 E432 M466 V467	L424-A428 WeakPolarHBondContact O-CB 3.29Å; L424-A428 PolarHBondContact O-N 3.11Å; T425-A428 PolarHBondContact O-N 2.97Å; K426-A428 VanDerWaalsContact C-N 3.32Å; K426-A428 PolarHBondContact O-N 3.22Å; A428-D430 PolarHBondContact O-N 2.79Å; A428-A431 WeakPolarHBondContact O-CB 3.42Å; A428-A431 PolarHBondContact O-N 3Å; A428-E432 WeakPolarHBondContact O-CG 3.47Å; A428-E432 PolarHBondContact O-N 2.67Å; A428-M466 HydrophobicContact CB-CB 4.07Å; A428-V467 HydrophobicContact CB-CG2 3.75Å
429	A	89.6	Confident	86.6	Confident	55 Å²	55	75.4 Å²	75.4	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-61.8	-41	177	0	0	0	0	0	112.7	T425 K426 A431 E432 G433	T425-A429 PolarHBondContact O-N 2.92Å; K426-A429 PolarHBondContact O-N 3.26Å; A429-A431 VanDerWaalsContact C-N 3.34Å; A429-A431 PolarHBondContact O-N 2.93Å; A429-E432 PolarHBondContact O-N 2.93Å; A429-G433 PolarHBondContact O-N 3.31Å
430	D	89.2	Confident	86.1	Confident	97 Å²	97	77.4 Å²	77.4	52%	0.519	38%	0.382	S	S	.	.	H	α-helix	trans	-62.7	-41.4	175.5	-70.9	-22.7	0	0	0	111.2	K426 R427 A428 G433 E434	K426-D430 VanDerWaalsContact O-CG 3.29Å; K426-D430 PolarHBondContact O-N 2.94Å; R427-D430 PolarHBondContact O-N 3.2Å; A428-D430 PolarHBondContact O-N 2.79Å; D430-G433 PolarHBondContact O-N 2.81Å; D430-E434 PolarHBondContact O-N 2.84Å; D430-E434 VanDerWaalsContact O-N 3.08Å
431	A	85.7	Confident	85.4	Confident	24 Å²	24	78 Å²	78	20%	0.198	39%	0.39	C	S	.	.	H	α-helix	trans	-66.6	-42.3	176.9	0	0	0	0	0	112.5	R427 A428 A429 G433 E434 I435 A463	R427-A431 WeakPolarHBondContact O-CB 3.3Å; R427-A431 PolarHBondContact O-N 3.05Å; A428-A431 WeakPolarHBondContact O-CB 3.42Å; A428-A431 PolarHBondContact O-N 3Å; A429-A431 VanDerWaalsContact C-N 3.34Å; A429-A431 PolarHBondContact O-N 2.93Å; A431-G433 VanDerWaalsContact C-N 3.32Å; A431-G433 PolarHBondContact O-N 3.17Å; A431-E434 WeakPolarHBondContact O-CB 3.49Å; A431-E434 PolarHBondContact O-N 2.97Å; A431-E434 VanDerWaalsContact O-N 3.16Å; A431-I435 WeakPolarHBondContact O-CG1 3.3Å; A431-I435 PolarHBondContact O-N 3.46Å; A431-A463 HydrophobicContact CB-CB 4.16Å
432	E	86.3	Confident	84.1	Confident	100 Å²	100	82.3 Å²	82.3	47%	0.467	43%	0.426	S	S	.	.	H	α-helix	trans	-60.4	-41.6	173.1	-74.1	178.8	175.7	0	0	112	A428 A429 E434 I435 Q436 A463	A428-E432 WeakPolarHBondContact O-CG 3.47Å; A428-E432 PolarHBondContact O-N 2.67Å; A429-E432 PolarHBondContact O-N 2.93Å; E432-E434 VanDerWaalsContact C-N 3.3Å; E432-E434 PolarHBondContact O-N 3.16Å; E432-I435 WeakPolarHBondContact O-CB 2.88Å; E432-I435 PolarHBondContact O-N 2.7Å; E432-Q436 WeakPolarHBondContact O-CG 3.43Å; E432-Q436 PolarHBondContact O-N 3.26Å; E432-A463 HydrophobicContact CG-CB 4.44Å
433	G	87.7	Confident	83	Confident	18 Å²	18	79.1 Å²	79.1	19%	0.186	41%	0.409	C	S	.	.	H	α-helix	trans	-60	-38.4	173.7	0	0	0	0	0	112.8	A429 D430 A431 Q436 R437	A429-G433 PolarHBondContact O-N 3.31Å; D430-G433 PolarHBondContact O-N 2.81Å; A431-G433 VanDerWaalsContact C-N 3.32Å; A431-G433 PolarHBondContact O-N 3.17Å; G433-Q436 PolarHBondContact O-N 2.96Å; G433-R437 WeakPolarHBondContact O-CG 3.33Å; G433-R437 PolarHBondContact O-N 3.49Å; G433-R437 VanDerWaalsContact O-N 3.09Å; G433-R437 PolarHBondContact O-NH1 2.82Å
434	E	83.9	Confident	81.8	Confident	93 Å²	93	86 Å²	86	44%	0.435	43%	0.433	S	S	.	.	H	α-helix	trans	-67.2	-41.1	174.4	-158.1	72.2	-111.9	0	0	111.9	D430 A431 E432 Q436 R437 M438	D430-E434 PolarHBondContact O-N 2.84Å; D430-E434 VanDerWaalsContact O-N 3.08Å; A431-E434 WeakPolarHBondContact O-CB 3.49Å; A431-E434 PolarHBondContact O-N 2.97Å; A431-E434 VanDerWaalsContact O-N 3.16Å; E432-E434 VanDerWaalsContact C-N 3.3Å; E432-E434 PolarHBondContact O-N 3.16Å; E434-Q436 VanDerWaalsContact C-N 3.32Å; E434-Q436 PolarHBondContact O-N 2.9Å; E434-R437 WeakPolarHBondContact O-CB 3.39Å; E434-R437 PolarHBondContact O-N 2.94Å; E434-R437 IonicContact OE1-CZ 3.55Å; E434-R437 IonicContact OE1-NE 3.32Å; E434-R437 PolarHBondContact OE1-NE 3.02Å; E434-R437 IonicContact OE1-NH2 2.96Å; E434-R437 PolarHBondContact OE1-NH2 2.9Å; E434-R437 IonicContact OE2-CZ 3.72Å; E434-R437 IonicContact OE2-NE 2.72Å; E434-R437 IonicContact OE2-NH2 3.71Å; E434-R437 PolarHBondContact OE2-NH2 3.28Å; E434-M438 HydrophobicContact CG-CE 4.47Å; E434-M438 WeakPolarHBondContact O-CG 3.39Å; E434-M438 PolarHBondContact O-N 3.23Å
435	I	82.8	Confident	81.3	Confident	9 Å²	9	88.4 Å²	88.4	5%	0.046	45%	0.446	C	S	.	.	H	α-helix	trans	-60.3	-43.4	175.4	-66.3	163.4	0	0	0	110.7	A431 E432 M438 R439 A456 A459 E460	A431-I435 WeakPolarHBondContact O-CG1 3.3Å; A431-I435 PolarHBondContact O-N 3.46Å; E432-I435 WeakPolarHBondContact O-CB 2.88Å; E432-I435 PolarHBondContact O-N 2.7Å; I435-M438 HydrophobicContact CG1-CE 4.12Å; I435-M438 PolarHBondContact O-N 3.22Å; I435-R439 WeakPolarHBondContact O-CG 3.37Å; I435-R439 PolarHBondContact O-N 3.26Å; I435-A456 HydrophobicContact CG2-CB 4.5Å; I435-A459 HydrophobicContact CD1-CB 3.93Å; I435-A459 HydrophobicContact CG1-CB 3.69Å; I435-E460 HydrophobicContact CD1-CB 4.07Å
436	Q	84.5	Confident	80.7	Confident	124 Å²	124	93 Å²	93	58%	0.579	46%	0.462	S	S	*	.	H	α-helix	trans	-62.9	-41.8	175.9	-72.5	-179.8	-2.7	0	0	112.1	E432 G433 E434 M438 R439 I440	E432-Q436 WeakPolarHBondContact O-CG 3.43Å; E432-Q436 PolarHBondContact O-N 3.26Å; G433-Q436 PolarHBondContact O-N 2.96Å; E434-Q436 VanDerWaalsContact C-N 3.32Å; E434-Q436 PolarHBondContact O-N 2.9Å; Q436-M438 PolarHBondContact O-N 2.92Å; Q436-R439 PolarHBondContact O-N 3.49Å; Q436-I440 WeakPolarHBondContact O-CG1 3.37Å; Q436-I440 PolarHBondContact O-N 3.15Å; Q436-I440 VanDerWaalsContact O-N 3.08Å
437	R	84.5	Confident	80.1	Confident	126 Å²	126	93 Å²	93	48%	0.475	47%	0.465	S	S	.	.	H	α-helix	trans	-59.8	-44.4	174	-74.8	-173.2	-71.6	-85.7	10	112	G433 E434 R439 I440 T441	G433-R437 WeakPolarHBondContact O-CG 3.33Å; G433-R437 PolarHBondContact O-N 3.49Å; G433-R437 VanDerWaalsContact O-N 3.09Å; G433-R437 PolarHBondContact O-NH1 2.82Å; E434-R437 WeakPolarHBondContact O-CB 3.39Å; E434-R437 PolarHBondContact O-N 2.94Å; E434-R437 IonicContact OE1-CZ 3.55Å; E434-R437 IonicContact OE1-NE 3.32Å; E434-R437 PolarHBondContact OE1-NE 3.02Å; E434-R437 IonicContact OE1-NH2 2.96Å; E434-R437 PolarHBondContact OE1-NH2 2.9Å; E434-R437 IonicContact OE2-CZ 3.72Å; E434-R437 IonicContact OE2-NE 2.72Å; E434-R437 IonicContact OE2-NH2 3.71Å; E434-R437 PolarHBondContact OE2-NH2 3.28Å; R437-R439 PolarHBondContact O-N 3.23Å; R437-I440 PolarHBondContact O-N 2.92Å; R437-T441 PolarHBondContact O-N 3.25Å; R437-T441 PolarHBondContact O-OG1 2.75Å
438	M	79.6	Confident	79.5	Confident	37 Å²	37	91.7 Å²	91.7	18%	0.182	47%	0.465	C	S	.	.	H	α-helix	trans	-60.4	-44.3	175	-71.8	-172.1	-75.2	0	0	111.3	E434 I435 Q436 I440 T441 M452 K455 A459	E434-M438 HydrophobicContact CG-CE 4.47Å; E434-M438 WeakPolarHBondContact O-CG 3.39Å; E434-M438 PolarHBondContact O-N 3.23Å; I435-M438 HydrophobicContact CG1-CE 4.12Å; I435-M438 PolarHBondContact O-N 3.22Å; Q436-M438 PolarHBondContact O-N 2.92Å; M438-I440 PolarHBondContact O-N 3.4Å; M438-T441 PolarHBondContact O-N 3.45Å; M438-M452 HydrophobicContact CB-CG 4.07Å; M438-M452 HydrophobicContact CB-SD 3.94Å; M438-M452 HydrophobicContact CG-CG 4.44Å; M438-M452 HydrophobicContact CG-SD 4.42Å; M438-K455 HydrophobicContact SD-CB 4.32Å; M438-A459 HydrophobicContact CE-CB 4.15Å
439	R	75.3	Confident	79.1	Confident	155 Å²	155	97.6 Å²	97.6	59%	0.585	49%	0.49	S	S	*	.	H	α-helix	trans	-65.1	-32.3	-179.7	-72.8	177.3	-179	176.1	3.8	114.2	I435 Q436 R437 E460	I435-R439 WeakPolarHBondContact O-CG 3.37Å; I435-R439 PolarHBondContact O-N 3.26Å; Q436-R439 PolarHBondContact O-N 3.49Å; R437-R439 PolarHBondContact O-N 3.23Å; R439-E460 IonicContact NH2-OE1 2.91Å; R439-E460 PolarHBondContact NH2-OE1 3.46Å; R439-E460 IonicContact NH2-OE2 3.13Å; R439-E460 PolarHBondContact NH2-OE2 3.48Å
440	I	78.1	Confident	78.7	Confident	144 Å²	144	101.6 Å²	101.6	74%	0.738	50%	0.497	S	S	*	.	H	α-helix	trans	-79.8	-22.2	-179.9	-66.6	167.6	0	0	0	112	Q436 R437 M438 A442	Q436-I440 WeakPolarHBondContact O-CG1 3.37Å; Q436-I440 PolarHBondContact O-N 3.15Å; Q436-I440 VanDerWaalsContact O-N 3.08Å; R437-I440 PolarHBondContact O-N 2.92Å; M438-I440 PolarHBondContact O-N 3.4Å; I440-A442 PolarHBondContact O-N 2.87Å; I440-A442 VanDerWaalsContact O-N 3.11Å
441	T	72.4	Confident	78.3	Confident	78 Å²	78	101.4 Å²	101.4	48%	0.479	49%	0.494	S	S	.	.	S	Bend	trans	-65.9	114.8	-176.9	-57.8	0	0	0	0	110.2	R437 M438 I443 M452	R437-T441 PolarHBondContact O-N 3.25Å; R437-T441 PolarHBondContact O-OG1 2.75Å; M438-T441 PolarHBondContact O-N 3.45Å; T441-I443 PolarHBondContact O-N 2.9Å; T441-M452 HydrophobicContact CG2-CE 4.21Å
442	A	61	Low	78.1	Confident	98 Å²	98	102.7 Å²	102.7	81%	0.81	50%	0.496	S	S	*	.			trans	-72.7	109.9	-178.6	0	0	0	0	0	111	I440	I440-A442 PolarHBondContact O-N 2.87Å; I440-A442 VanDerWaalsContact O-N 3.11Å
443	I	66.5	Low	77.9	Confident	48 Å²	48	102 Å²	102	25%	0.246	49%	0.493	C	S	.	.			trans	-99.3	129.7	-178.7	-57.9	166.3	0	0	0	110.3	T441 N445 E448 K449 M452	T441-I443 PolarHBondContact O-N 2.9Å; I443-N445 WeakPolarHBondContact CG2-O 3.48Å; I443-E448 HydrophobicContact CG2-CB 3.42Å; I443-E448 VanDerWaalsContact CG2-CB 3.42Å; I443-K449 HydrophobicContact CB-CB 4.34Å; I443-K449 HydrophobicContact CD1-CB 4.26Å; I443-K449 HydrophobicContact CG2-CB 4.12Å; I443-M452 HydrophobicContact CD1-CB 3.57Å; I443-M452 HydrophobicContact CD1-CE 3.8Å; I443-M452 HydrophobicContact CD1-CG 4.12Å; I443-M452 HydrophobicContact CD1-SD 3.62Å; I443-M452 HydrophobicContact CG1-CE 4.18Å; I443-M452 HydrophobicContact CG1-SD 4.35Å
444	K	65.9	Low	77.8	Confident	217 Å²	217	107.4 Å²	107.4	94%	0.943	51%	0.508	S	S	*	.			trans	-88.6	-26.5	-179.6	-65.2	-177.9	-179.9	179	0	113.4
445	N	77.3	Confident	77.9	Confident	71 Å²	71	108.8 Å²	108.8	38%	0.38	51%	0.512	S	S	.	.	S	Bend	trans	-100.6	134.1	-177.9	-175.2	4.3	0	0	0	111.3	I443 E447 E448 K449	I443-N445 WeakPolarHBondContact CG2-O 3.48Å; N445-E447 VanDerWaalsContact C-N 3.33Å; N445-E447 PolarHBondContact O-N 3.29Å; N445-E447 PolarHBondContact OD1-N 3.22Å; N445-E448 HydrophobicContact CB-CB 4.16Å; N445-E448 HydrophobicContact CB-CG 4.07Å; N445-E448 PolarHBondContact O-N 2.96Å; N445-K449 PolarHBondContact O-N 3.23Å
446	E	76.9	Confident	78	Confident	169 Å²	169	108.7 Å²	108.7	79%	0.79	51%	0.513	S	S	*	.	H	α-helix	trans	-64.7	-35.4	-180	-162.9	163.6	-155.4	0	0	112.3	K449 F450	E446-K449 PolarHBondContact O-N 3.3Å; E446-F450 PolarHBondContact O-N 2.97Å
447	E	77.4	Confident	78	Confident	145 Å²	145	110 Å²	110	68%	0.678	51%	0.513	S	S	*	.	H	α-helix	trans	-65.9	-43.9	175.6	-70.5	-177	158.1	0	0	112.4	N445 K449 F450 M451	N445-E447 VanDerWaalsContact C-N 3.33Å; N445-E447 PolarHBondContact O-N 3.29Å; N445-E447 PolarHBondContact OD1-N 3.22Å; E447-K449 VanDerWaalsContact C-N 3.29Å; E447-K449 PolarHBondContact O-N 3.36Å; E447-F450 PolarHBondContact O-N 3.31Å; E447-M451 WeakPolarHBondContact O-CB 3.48Å; E447-M451 WeakPolarHBondContact O-CG 3.09Å; E447-M451 PolarHBondContact O-N 2.93Å
448	E	77.8	Confident	78.1	Confident	114 Å²	114	108.1 Å²	108.1	53%	0.533	51%	0.51	S	S	.	.	H	α-helix	trans	-65.6	-35.8	177.4	-72.7	178.5	168	0	0	111.3	I443 N445 M451 M452	I443-E448 HydrophobicContact CG2-CB 3.42Å; I443-E448 VanDerWaalsContact CG2-CB 3.42Å; N445-E448 HydrophobicContact CB-CB 4.16Å; N445-E448 HydrophobicContact CB-CG 4.07Å; N445-E448 PolarHBondContact O-N 2.96Å; E448-M451 PolarHBondContact O-N 3.36Å; E448-M452 WeakPolarHBondContact O-CB 3.5Å; E448-M452 PolarHBondContact O-N 3.26Å
449	K	79.3	Confident	78.4	Confident	128 Å²	128	107.5 Å²	107.5	56%	0.557	51%	0.51	S	S	*	.	H	α-helix	trans	-63.4	-47.5	176.1	-176.6	-173.7	174.5	-171.5	0	110.6	I443 N445 E446 E447 M451 M452 E453	I443-K449 HydrophobicContact CB-CB 4.34Å; I443-K449 HydrophobicContact CD1-CB 4.26Å; I443-K449 HydrophobicContact CG2-CB 4.12Å; N445-K449 PolarHBondContact O-N 3.23Å; E446-K449 PolarHBondContact O-N 3.3Å; E447-K449 VanDerWaalsContact C-N 3.29Å; E447-K449 PolarHBondContact O-N 3.36Å; K449-M451 PolarHBondContact O-N 3Å; K449-M452 PolarHBondContact O-N 3.44Å; K449-E453 WeakPolarHBondContact O-CB 3.38Å; K449-E453 PolarHBondContact O-N 2.84Å
450	F	80.8	Confident	79	Confident	139 Å²	139	104.2 Å²	104.2	61%	0.61	50%	0.501	S	S	*	.	H	α-helix	trans	-61.6	-43.5	176.5	-174.2	-98.7	0	0	0	112	E446 E447 E453 R454	E446-F450 PolarHBondContact O-N 2.97Å; E447-F450 PolarHBondContact O-N 3.31Å; F450-E453 PolarHBondContact O-N 3.25Å; F450-R454 PolarHBondContact O-N 2.84Å
451	M	81.4	Confident	79.5	Confident	93 Å²	93	103.4 Å²	103.4	46%	0.458	50%	0.498	S	S	.	.	H	α-helix	trans	-64.4	-41.2	176.8	-74.7	-64.9	-67.4	0	0	112.8	E447 E448 K449 R454 K455	E447-M451 WeakPolarHBondContact O-CB 3.48Å; E447-M451 WeakPolarHBondContact O-CG 3.09Å; E447-M451 PolarHBondContact O-N 2.93Å; E448-M451 PolarHBondContact O-N 3.36Å; K449-M451 PolarHBondContact O-N 3Å; M451-R454 PolarHBondContact O-N 3.12Å; M451-K455 WeakPolarHBondContact O-CG 3.24Å; M451-K455 PolarHBondContact O-N 3.42Å
452	M	80.8	Confident	80.2	Confident	50 Å²	50	104.3 Å²	104.3	25%	0.246	50%	0.499	C	S	.	.	H	α-helix	trans	-70.3	-37.6	177.4	-167.2	173.6	-66	0	0	111.6	M438 T441 I443 E448 K449 R454 K455 A456	M438-M452 HydrophobicContact CB-CG 4.07Å; M438-M452 HydrophobicContact CB-SD 3.94Å; M438-M452 HydrophobicContact CG-CG 4.44Å; M438-M452 HydrophobicContact CG-SD 4.42Å; T441-M452 HydrophobicContact CG2-CE 4.21Å; I443-M452 HydrophobicContact CD1-CB 3.57Å; I443-M452 HydrophobicContact CD1-CE 3.8Å; I443-M452 HydrophobicContact CD1-CG 4.12Å; I443-M452 HydrophobicContact CD1-SD 3.62Å; I443-M452 HydrophobicContact CG1-CE 4.18Å; I443-M452 HydrophobicContact CG1-SD 4.35Å; E448-M452 WeakPolarHBondContact O-CB 3.5Å; E448-M452 PolarHBondContact O-N 3.26Å; K449-M452 PolarHBondContact O-N 3.44Å; M452-R454 VanDerWaalsContact C-N 3.32Å; M452-R454 PolarHBondContact O-N 3.44Å; M452-K455 PolarHBondContact O-N 2.92Å; M452-A456 WeakPolarHBondContact O-CB 3.36Å; M452-A456 PolarHBondContact O-N 3.31Å
453	E	82	Confident	81.5	Confident	86 Å²	86	99.8 Å²	99.8	40%	0.402	46%	0.462	S	S	.	.	H	α-helix	trans	-62.3	-40.6	173.3	-169.1	178.1	168.4	0	0	111.4	K449 F450 A456 R457	K449-E453 WeakPolarHBondContact O-CB 3.38Å; K449-E453 PolarHBondContact O-N 2.84Å; F450-E453 PolarHBondContact O-N 3.25Å; E453-A456 PolarHBondContact O-N 3.35Å; E453-R457 WeakPolarHBondContact O-CG 3.49Å; E453-R457 PolarHBondContact O-N 3.4Å; E453-R457 IonicContact OE1-CZ 3.76Å; E453-R457 IonicContact OE1-NE 3.68Å; E453-R457 IonicContact OE1-NH2 3.88Å; E453-R457 PolarHBondContact OE1-NH2 3.03Å
454	R	85.2	Confident	82.6	Confident	131 Å²	131	100.9 Å²	100.9	49%	0.494	47%	0.471	S	S	.	.	H	α-helix	trans	-62.5	-45.4	174.5	-155.2	-173.5	92.1	179.7	2.1	112.1	F450 M451 M452 R457 E458	F450-R454 PolarHBondContact O-N 2.84Å; M451-R454 PolarHBondContact O-N 3.12Å; M452-R454 VanDerWaalsContact C-N 3.32Å; M452-R454 PolarHBondContact O-N 3.44Å; R454-R457 PolarHBondContact O-N 2.86Å; R454-E458 IonicContact CZ-OE1 3.41Å; R454-E458 IonicContact NE-OE1 3.59Å; R454-E458 PolarHBondContact NE-OE1 2.81Å; R454-E458 IonicContact NH2-OE1 3.55Å; R454-E458 PolarHBondContact NH2-OE1 2.92Å; R454-E458 WeakPolarHBondContact O-CG 3.33Å; R454-E458 PolarHBondContact O-N 3.48Å
455	K	85.2	Confident	83.8	Confident	122 Å²	122	98.6 Å²	98.6	53%	0.53	46%	0.456	S	S	.	.	H	α-helix	trans	-62.3	-40.7	175.2	-75.5	-176.9	178.4	-177.6	0	112.5	M438 M451 M452 E458 A459	M438-K455 HydrophobicContact SD-CB 4.32Å; M451-K455 WeakPolarHBondContact O-CG 3.24Å; M451-K455 PolarHBondContact O-N 3.42Å; M452-K455 PolarHBondContact O-N 2.92Å; K455-E458 PolarHBondContact O-N 3.2Å; K455-A459 WeakPolarHBondContact O-CB 3.13Å; K455-A459 PolarHBondContact O-N 3.13Å
456	A	86	Confident	84.4	Confident	8 Å²	8	97.4 Å²	97.4	7%	0.066	45%	0.449	C	S	.	.	H	α-helix	trans	-62.9	-42.3	176.5	0	0	0	0	0	111.3	I435 M452 E453 A459 E460	I435-A456 HydrophobicContact CG2-CB 4.5Å; M452-A456 WeakPolarHBondContact O-CB 3.36Å; M452-A456 PolarHBondContact O-N 3.31Å; E453-A456 PolarHBondContact O-N 3.35Å; A456-A459 PolarHBondContact O-N 3.49Å; A456-E460 VanDerWaalsContact O-CB 3.32Å; A456-E460 WeakPolarHBondContact O-CB 3.26Å; A456-E460 PolarHBondContact O-N 2.89Å
457	R	85.4	Confident	85	Confident	150 Å²	150	91.9 Å²	91.9	57%	0.566	43%	0.426	S	S	*	.	H	α-helix	trans	-65.2	-42	174.3	-72.2	-177.8	-168	177.8	5.1	112.9	E453 R454 A459 E460 L461	E453-R457 WeakPolarHBondContact O-CG 3.49Å; E453-R457 PolarHBondContact O-N 3.4Å; E453-R457 IonicContact OE1-CZ 3.76Å; E453-R457 IonicContact OE1-NE 3.68Å; E453-R457 IonicContact OE1-NH2 3.88Å; E453-R457 PolarHBondContact OE1-NH2 3.03Å; R454-R457 PolarHBondContact O-N 2.86Å; R457-A459 VanDerWaalsContact C-N 3.35Å; R457-E460 PolarHBondContact O-N 3.35Å; R457-L461 WeakPolarHBondContact O-CG 3.19Å; R457-L461 PolarHBondContact O-N 3.09Å; R457-L461 VanDerWaalsContact O-N 3.08Å
458	E	85.4	Confident	85.6	Confident	88 Å²	88	90.5 Å²	90.5	41%	0.411	42%	0.42	S	S	.	.	H	α-helix	trans	-61.5	-43.1	175.2	-74.8	171.6	-160.4	0	0	111.2	R454 K455 L461 I462	R454-E458 IonicContact CZ-OE1 3.41Å; R454-E458 IonicContact NE-OE1 3.59Å; R454-E458 PolarHBondContact NE-OE1 2.81Å; R454-E458 IonicContact NH2-OE1 3.55Å; R454-E458 PolarHBondContact NH2-OE1 2.92Å; R454-E458 WeakPolarHBondContact O-CG 3.33Å; R454-E458 PolarHBondContact O-N 3.48Å; K455-E458 PolarHBondContact O-N 3.2Å; E458-L461 PolarHBondContact O-N 3.46Å; E458-I462 WeakPolarHBondContact O-CG1 3.4Å; E458-I462 PolarHBondContact O-N 2.82Å
459	A	86.2	Confident	86.2	Confident	23 Å²	23	89.2 Å²	89.2	19%	0.19	41%	0.414	C	S	.	.	H	α-helix	trans	-66.7	-37.3	175.8	0	0	0	0	0	112.7	I435 M438 K455 A456 R457 L461 I462 A463	I435-A459 HydrophobicContact CD1-CB 3.93Å; I435-A459 HydrophobicContact CG1-CB 3.69Å; M438-A459 HydrophobicContact CE-CB 4.15Å; K455-A459 WeakPolarHBondContact O-CB 3.13Å; K455-A459 PolarHBondContact O-N 3.13Å; A456-A459 PolarHBondContact O-N 3.49Å; R457-A459 VanDerWaalsContact C-N 3.35Å; A459-L461 VanDerWaalsContact C-N 3.34Å; A459-L461 PolarHBondContact O-N 2.94Å; A459-I462 PolarHBondContact O-N 3.26Å; A459-A463 WeakPolarHBondContact O-CB 3.19Å; A459-A463 PolarHBondContact O-N 2.82Å
460	E	87.2	Confident	86.6	Confident	86 Å²	86	83.5 Å²	83.5	40%	0.402	39%	0.39	S	S	.	.	H	α-helix	trans	-63.1	-39.7	176.5	-171.7	164.7	-149.5	0	0	111.5	I435 R439 A456 R457 A463 T464	I435-E460 HydrophobicContact CD1-CB 4.07Å; R439-E460 IonicContact NH2-OE1 2.91Å; R439-E460 PolarHBondContact NH2-OE1 3.46Å; R439-E460 IonicContact NH2-OE2 3.13Å; R439-E460 PolarHBondContact NH2-OE2 3.48Å; A456-E460 VanDerWaalsContact O-CB 3.32Å; A456-E460 WeakPolarHBondContact O-CB 3.26Å; A456-E460 PolarHBondContact O-N 2.89Å; R457-E460 PolarHBondContact O-N 3.35Å; E460-A463 PolarHBondContact O-N 2.9Å; E460-T464 WeakPolarHBondContact O-CB 3.46Å; E460-T464 PolarHBondContact O-N 2.95Å; E460-T464 PolarHBondContact O-OG1 2.96Å
461	L	89.1	Confident	87.1	Confident	128 Å²	128	81.4 Å²	81.4	67%	0.67	38%	0.382	S	S	*	.	H	α-helix	trans	-63	-40.7	172.3	-74.2	164.9	0	0	0	112.4	R457 E458 A459 R465	R457-L461 WeakPolarHBondContact O-CG 3.19Å; R457-L461 PolarHBondContact O-N 3.09Å; R457-L461 VanDerWaalsContact O-N 3.08Å; E458-L461 PolarHBondContact O-N 3.46Å; A459-L461 VanDerWaalsContact C-N 3.34Å; A459-L461 PolarHBondContact O-N 2.94Å; L461-R465 PolarHBondContact O-N 3.47Å
462	I	87.8	Confident	87.6	Confident	96 Å²	96	80.2 Å²	80.2	49%	0.492	38%	0.381	S	S	.	.	H	α-helix	trans	-66.9	-46	177.4	-66.5	167.6	0	0	0	110.7	E458 A459 T464 R465 M466	E458-I462 WeakPolarHBondContact O-CG1 3.4Å; E458-I462 PolarHBondContact O-N 2.82Å; A459-I462 PolarHBondContact O-N 3.26Å; I462-T464 VanDerWaalsContact C-N 3.33Å; I462-T464 PolarHBondContact O-N 3.32Å; I462-R465 PolarHBondContact O-N 2.91Å; I462-M466 HydrophobicContact CG2-CE 3.65Å; I462-M466 HydrophobicContact CG2-SD 4.26Å; I462-M466 WeakPolarHBondContact O-CG 3.4Å; I462-M466 PolarHBondContact O-N 2.77Å
463	A	88.5	Confident	87.9	Confident	4 Å²	4	81.6 Å²	81.6	3%	0.033	38%	0.383	C	S	.	.	H	α-helix	trans	-60.3	-44.5	177.4	0	0	0	0	0	111	A431 E432 A459 E460 R465 M466 V467	A431-A463 HydrophobicContact CB-CB 4.16Å; E432-A463 HydrophobicContact CG-CB 4.44Å; A459-A463 WeakPolarHBondContact O-CB 3.19Å; A459-A463 PolarHBondContact O-N 2.82Å; E460-A463 PolarHBondContact O-N 2.9Å; A463-R465 PolarHBondContact O-N 3.32Å; A463-M466 PolarHBondContact O-N 3.2Å; A463-M466 VanDerWaalsContact O-N 3.14Å; A463-V467 WeakPolarHBondContact O-CG2 3.42Å; A463-V467 PolarHBondContact O-N 3.47Å
464	T	89.5	Confident	88.2	Confident	71 Å²	71	81.1 Å²	81.1	44%	0.436	39%	0.386	S	S	.	.	H	α-helix	trans	-58.2	-46.7	175.6	-54.3	0	0	0	0	111.3	E460 I462 M466 V467 E468	E460-T464 WeakPolarHBondContact O-CB 3.46Å; E460-T464 PolarHBondContact O-N 2.95Å; E460-T464 PolarHBondContact O-OG1 2.96Å; I462-T464 VanDerWaalsContact C-N 3.33Å; I462-T464 PolarHBondContact O-N 3.32Å; T464-M466 VanDerWaalsContact C-N 3.34Å; T464-M466 PolarHBondContact O-N 2.69Å; T464-V467 PolarHBondContact O-N 3.32Å; T464-E468 WeakPolarHBondContact O-CG 3.48Å; T464-E468 PolarHBondContact O-N 2.85Å
465	R	90.2	Very high	88.6	Confident	168 Å²	168	81.9 Å²	81.9	63%	0.634	39%	0.389	S	S	*	.	H	α-helix	trans	-61.2	-40.8	175.7	179.5	-177.2	-95.2	-175.8	-8.4	112.2	L461 I462 A463 V467 E468 E469	L461-R465 PolarHBondContact O-N 3.47Å; I462-R465 PolarHBondContact O-N 2.91Å; A463-R465 PolarHBondContact O-N 3.32Å; R465-V467 VanDerWaalsContact C-N 3.32Å; R465-V467 PolarHBondContact O-N 2.82Å; R465-E468 PolarHBondContact O-N 2.9Å; R465-E469 HydrophobicContact CG-CG 4.5Å; R465-E469 WeakPolarHBondContact O-CG 3.38Å; R465-E469 PolarHBondContact O-N 3.19Å
466	M	89.8	Confident	88.8	Confident	46 Å²	46	80 Å²	80	23%	0.227	38%	0.382	C	S	.	.	H	α-helix	trans	-64.6	-36.6	177.7	-71.9	178.5	177.9	0	0	112.2	R427 A428 I462 A463 T464 S470	R427-M466 HydrophobicContact CB-SD 3.83Å; A428-M466 HydrophobicContact CB-CB 4.07Å; I462-M466 HydrophobicContact CG2-CE 3.65Å; I462-M466 HydrophobicContact CG2-SD 4.26Å; I462-M466 WeakPolarHBondContact O-CG 3.4Å; I462-M466 PolarHBondContact O-N 2.77Å; A463-M466 PolarHBondContact O-N 3.2Å; A463-M466 VanDerWaalsContact O-N 3.14Å; T464-M466 VanDerWaalsContact C-N 3.34Å; T464-M466 PolarHBondContact O-N 2.69Å; M466-S470 WeakPolarHBondContact O-CB 3.15Å; M466-S470 PolarHBondContact O-N 2.84Å
467	V	89.9	Confident	88.9	Confident	53 Å²	53	79.9 Å²	79.9	32%	0.321	38%	0.381	S	S	.	.	H	α-helix	trans	-65.4	-47.1	173.2	173.7	0	0	0	0	110.3	A428 A463 T464 R465 E469 S470 E471	A428-V467 HydrophobicContact CB-CG2 3.75Å; A463-V467 WeakPolarHBondContact O-CG2 3.42Å; A463-V467 PolarHBondContact O-N 3.47Å; T464-V467 PolarHBondContact O-N 3.32Å; R465-V467 VanDerWaalsContact C-N 3.32Å; R465-V467 PolarHBondContact O-N 2.82Å; V467-E469 VanDerWaalsContact C-N 3.35Å; V467-E469 PolarHBondContact O-N 2.85Å; V467-S470 WeakPolarHBondContact O-CB 3.49Å; V467-S470 PolarHBondContact O-N 2.99Å; V467-E471 WeakPolarHBondContact O-CG 3.35Å; V467-E471 PolarHBondContact O-N 3.01Å
468	E	90.6	Very high	89.1	Confident	116 Å²	116	77.4 Å²	77.4	54%	0.542	38%	0.376	S	S	.	.	H	α-helix	trans	-58.2	-45.1	176.2	-71.5	176.3	173.8	0	0	112	T464 R465 E471 T472	T464-E468 WeakPolarHBondContact O-CG 3.48Å; T464-E468 PolarHBondContact O-N 2.85Å; R465-E468 PolarHBondContact O-N 2.9Å; E468-E471 PolarHBondContact O-N 2.76Å; E468-T472 WeakPolarHBondContact O-CG2 3.33Å; E468-T472 PolarHBondContact O-N 2.87Å
469	E	89.3	Confident	89.4	Confident	87 Å²	87	79.6 Å²	79.6	41%	0.407	38%	0.384	S	S	.	.	H	α-helix	trans	-63.3	-43	175.4	-75.2	179	-172.3	0	0	111.6	L424 R465 V467 E471 T472 R473	L424-E469 HydrophobicContact CD1-CB 3.87Å; R465-E469 HydrophobicContact CG-CG 4.5Å; R465-E469 WeakPolarHBondContact O-CG 3.38Å; R465-E469 PolarHBondContact O-N 3.19Å; V467-E469 VanDerWaalsContact C-N 3.35Å; V467-E469 PolarHBondContact O-N 2.85Å; E469-E471 VanDerWaalsContact C-N 3.34Å; E469-E471 PolarHBondContact O-N 3.36Å; E469-T472 WeakPolarHBondContact CA-OG1 3.28Å; E469-T472 PolarHBondContact O-N 2.85Å; E469-T472 VanDerWaalsContact O-N 3.15Å; E469-T472 PolarHBondContact O-OG1 3.46Å; E469-R473 WeakPolarHBondContact O-CG 3.22Å; E469-R473 PolarHBondContact O-N 2.79Å
470	S	88.8	Confident	89.5	Confident	8 Å²	8	79.5 Å²	79.5	6%	0.056	38%	0.38	C	S	.	.	H	α-helix	trans	-58.6	-44.8	175.5	-178.7	0	0	0	0	111.9	A421 T425 M466 V467 T472 R473 T474	A421-S470 PolarHBondContact O-OG 3.47Å; A421-S470 VanDerWaalsContact O-OG 3.1Å; T425-S470 PolarHBondContact OG1-OG 3.48Å; M466-S470 WeakPolarHBondContact O-CB 3.15Å; M466-S470 PolarHBondContact O-N 2.84Å; V467-S470 WeakPolarHBondContact O-CB 3.49Å; V467-S470 PolarHBondContact O-N 2.99Å; S470-T472 VanDerWaalsContact C-N 3.32Å; S470-T472 PolarHBondContact O-N 3.38Å; S470-R473 PolarHBondContact O-N 3.08Å; S470-T474 WeakPolarHBondContact O-CB 3.38Å; S470-T474 PolarHBondContact O-N 3.44Å; S470-T474 PolarHBondContact O-OG1 2.96Å
471	E	91.7	Very high	89.7	Confident	96 Å²	96	78.9 Å²	78.9	45%	0.449	38%	0.376	S	S	.	.	H	α-helix	trans	-62.5	-39.9	175.9	-71.3	-174.8	-178.4	0	0	111.7	V467 E468 E469 T474 R475	V467-E471 WeakPolarHBondContact O-CG 3.35Å; V467-E471 PolarHBondContact O-N 3.01Å; E468-E471 PolarHBondContact O-N 2.76Å; E469-E471 VanDerWaalsContact C-N 3.34Å; E469-E471 PolarHBondContact O-N 3.36Å; E471-T474 PolarHBondContact O-N 3.42Å; E471-R475 VanDerWaalsContact O-CG 3.32Å; E471-R475 WeakPolarHBondContact O-CG 3.43Å; E471-R475 PolarHBondContact O-N 3.07Å; E471-R475 IonicContact OE2-NH2 3.62Å; E471-R475 PolarHBondContact OE2-NH2 2.83Å
472	T	91.3	Very high	89.8	Confident	68 Å²	68	77.8 Å²	77.8	42%	0.417	37%	0.367	S	S	.	.	H	α-helix	trans	-63.8	-40.7	176.3	61.8	0	0	0	0	112.3	E468 E469 S470 R475 E476	E468-T472 WeakPolarHBondContact O-CG2 3.33Å; E468-T472 PolarHBondContact O-N 2.87Å; E469-T472 WeakPolarHBondContact CA-OG1 3.28Å; E469-T472 PolarHBondContact O-N 2.85Å; E469-T472 VanDerWaalsContact O-N 3.15Å; E469-T472 PolarHBondContact O-OG1 3.46Å; S470-T472 VanDerWaalsContact C-N 3.32Å; S470-T472 PolarHBondContact O-N 3.38Å; T472-R475 PolarHBondContact O-N 3.36Å; T472-E476 PolarHBondContact O-N 3.48Å
473	R	87.3	Confident	89.9	Confident	78 Å²	78	75 Å²	75	29%	0.294	35%	0.353	S	S	.	.	H	α-helix	trans	-68.6	-35.9	176.6	-67.4	-54.1	-168.6	137.3	23.6	112.3	E420 A421 L424 E469 S470 E476 A477	E420-R473 HydrophobicContact CB-CG 4.38Å; E420-R473 VanDerWaalsContact CD-NH2 3.27Å; E420-R473 IonicContact OE1-CZ 2.64Å; E420-R473 IonicContact OE1-NH1 2.76Å; E420-R473 IonicContact OE1-NH2 3.38Å; E420-R473 PolarHBondContact OE1-NH2 3.49Å; E420-R473 IonicContact OE2-CZ 2.74Å; E420-R473 IonicContact OE2-NE 3.7Å; E420-R473 IonicContact OE2-NH1 2.72Å; E420-R473 PolarHBondContact OE2-NH1 2.91Å; E420-R473 IonicContact OE2-NH2 3.82Å; E420-R473 PolarHBondContact OE2-NH2 3.11Å; A421-R473 HydrophobicContact CB-CB 3.91Å; L424-R473 HydrophobicContact CD1-CG 4.11Å; E469-R473 WeakPolarHBondContact O-CG 3.22Å; E469-R473 PolarHBondContact O-N 2.79Å; S470-R473 PolarHBondContact O-N 3.08Å; R473-E476 WeakPolarHBondContact CD-OE2 3.09Å; R473-E476 IonicContact CZ-OE2 2.92Å; R473-E476 IonicContact NE-OE2 3.23Å; R473-E476 IonicContact NH1-OE2 3.59Å; R473-E476 PolarHBondContact NH1-OE2 3.49Å; R473-E476 WeakPolarHBondContact O-CB 3.49Å; R473-E476 PolarHBondContact O-N 2.82Å; R473-A477 WeakPolarHBondContact O-CB 3.44Å; R473-A477 PolarHBondContact O-N 2.79Å
474	T	88.7	Confident	89.7	Confident	76 Å²	76	75.7 Å²	75.7	47%	0.466	36%	0.357	S	S	.	.	H	α-helix	trans	-62.9	-43.9	172.6	-55.5	0	0	0	0	111.2	S470 E471 E476 A477 E478	S470-T474 WeakPolarHBondContact O-CB 3.38Å; S470-T474 PolarHBondContact O-N 3.44Å; S470-T474 PolarHBondContact O-OG1 2.96Å; E471-T474 PolarHBondContact O-N 3.42Å; T474-E476 VanDerWaalsContact C-N 3.35Å; T474-E476 PolarHBondContact O-N 3Å; T474-A477 PolarHBondContact O-N 2.97Å; T474-E478 WeakPolarHBondContact O-CB 3.5Å; T474-E478 PolarHBondContact O-N 3.3Å
475	R	91.7	Very high	89.7	Confident	147 Å²	147	77 Å²	77	56%	0.555	37%	0.365	S	S	*	.	H	α-helix	trans	-64.9	-37.2	174.8	-68.6	177.1	-136.6	137.5	1.2	112.3	E471 T472 K479	E471-R475 VanDerWaalsContact O-CG 3.32Å; E471-R475 WeakPolarHBondContact O-CG 3.43Å; E471-R475 PolarHBondContact O-N 3.07Å; E471-R475 IonicContact OE2-NH2 3.62Å; E471-R475 PolarHBondContact OE2-NH2 2.83Å; T472-R475 PolarHBondContact O-N 3.36Å; R475-K479 PolarHBondContact O-N 2.92Å
476	E	89.8	Confident	89.6	Confident	84 Å²	84	76.8 Å²	76.8	39%	0.393	36%	0.364	S	S	.	.	H	α-helix	trans	-64.1	-47.9	174.5	-175.7	178.6	-153.5	0	0	111.5	S417 T472 R473 T474 E478 K479 L480	S417-E476 PolarHBondContact OG-OE2 3.01Å; T472-E476 PolarHBondContact O-N 3.48Å; R473-E476 WeakPolarHBondContact CD-OE2 3.09Å; R473-E476 IonicContact CZ-OE2 2.92Å; R473-E476 IonicContact NE-OE2 3.23Å; R473-E476 IonicContact NH1-OE2 3.59Å; R473-E476 PolarHBondContact NH1-OE2 3.49Å; R473-E476 WeakPolarHBondContact O-CB 3.49Å; R473-E476 PolarHBondContact O-N 2.82Å; T474-E476 VanDerWaalsContact C-N 3.35Å; T474-E476 PolarHBondContact O-N 3Å; E476-E478 VanDerWaalsContact C-N 3.32Å; E476-E478 PolarHBondContact O-N 2.91Å; E476-K479 WeakPolarHBondContact O-CB 3.42Å; E476-K479 PolarHBondContact O-N 2.69Å; E476-L480 HydrophobicContact CG-CD1 4.07Å; E476-L480 WeakPolarHBondContact O-CG 3.47Å; E476-L480 PolarHBondContact O-N 2.64Å
477	A	87.8	Confident	89.3	Confident	5 Å²	5	75.1 Å²	75.1	4%	0.041	36%	0.357	C	S	.	.	H	α-helix	trans	-59.1	-42.7	176.8	0	0	0	0	0	111.7	E418 R473 T474 L480 K481	E418-A477 HydrophobicContact CB-CB 4.34Å; R473-A477 WeakPolarHBondContact O-CB 3.44Å; R473-A477 PolarHBondContact O-N 2.79Å; T474-A477 PolarHBondContact O-N 2.97Å; A477-L480 PolarHBondContact O-N 2.86Å; A477-K481 WeakPolarHBondContact O-CG 3.32Å; A477-K481 PolarHBondContact O-N 2.79Å
478	E	90.8	Very high	89.1	Confident	98 Å²	98	79.5 Å²	79.5	46%	0.458	37%	0.368	S	S	.	.	H	α-helix	trans	-64.3	-41.2	177.1	-174.5	54.7	-148	0	0	112.1	T474 E476 L480 K481 Q482	T474-E478 WeakPolarHBondContact O-CB 3.5Å; T474-E478 PolarHBondContact O-N 3.3Å; E476-E478 VanDerWaalsContact C-N 3.32Å; E476-E478 PolarHBondContact O-N 2.91Å; E478-L480 PolarHBondContact O-N 3.37Å; E478-K481 PolarHBondContact O-N 2.82Å; E478-Q482 WeakPolarHBondContact O-CG 3.39Å; E478-Q482 PolarHBondContact O-N 3.16Å
479	K	91.8	Very high	89	Confident	134 Å²	134	79.5 Å²	79.5	58%	0.583	37%	0.368	S	S	*	.	H	α-helix	trans	-62.5	-43.3	174.1	-175	-176.4	175.4	-172.8	0	111.7	R475 E476 K481 Q482 D483	R475-K479 PolarHBondContact O-N 2.92Å; E476-K479 WeakPolarHBondContact O-CB 3.42Å; E476-K479 PolarHBondContact O-N 2.69Å; K479-K481 VanDerWaalsContact C-N 3.34Å; K479-K481 PolarHBondContact O-N 2.83Å; K479-Q482 WeakPolarHBondContact O-CB 3.28Å; K479-Q482 PolarHBondContact O-N 3.17Å; K479-D483 PolarHBondContact O-N 3.29Å
480	L	88.8	Confident	88.6	Confident	20 Å²	20	77.5 Å²	77.5	11%	0.105	37%	0.366	C	S	.	.	H	α-helix	trans	-65.2	-36.8	177.2	-70.9	165.2	0	0	0	111.9	L410 K413 A414 E476 A477 E478 Q482 D483 L484	L410-L480 HydrophobicContact CD2-CD2 3.81Å; K413-L480 HydrophobicContact CB-CD1 3.77Å; K413-L480 HydrophobicContact CB-CD2 4.11Å; K413-L480 HydrophobicContact CD-CD2 4.38Å; A414-L480 HydrophobicContact CB-CB 3.82Å; E476-L480 HydrophobicContact CG-CD1 4.07Å; E476-L480 WeakPolarHBondContact O-CG 3.47Å; E476-L480 PolarHBondContact O-N 2.64Å; A477-L480 PolarHBondContact O-N 2.86Å; E478-L480 PolarHBondContact O-N 3.37Å; L480-Q482 VanDerWaalsContact C-N 3.34Å; L480-D483 PolarHBondContact O-N 2.94Å; L480-L484 WeakPolarHBondContact O-CB 3.39Å; L480-L484 PolarHBondContact O-N 3.27Å
481	K	89.9	Confident	88.3	Confident	74 Å²	74	78.5 Å²	78.5	32%	0.322	37%	0.37	S	S	.	.	H	α-helix	trans	-62.2	-40.3	172.1	-75	174.9	-178.2	175.9	0	111.5	A414 E418 A477 E478 K479 L484 V485	A414-K481 HydrophobicContact CB-CG 4.22Å; E418-K481 IonicContact OE1-NZ 2.62Å; E418-K481 PolarHBondContact OE1-NZ 3.24Å; E418-K481 WeakPolarHBondContact OE2-CE 3.28Å; E418-K481 IonicContact OE2-NZ 2.96Å; E418-K481 PolarHBondContact OE2-NZ 3.11Å; A477-K481 WeakPolarHBondContact O-CG 3.32Å; A477-K481 PolarHBondContact O-N 2.79Å; E478-K481 PolarHBondContact O-N 2.82Å; K479-K481 VanDerWaalsContact C-N 3.34Å; K479-K481 PolarHBondContact O-N 2.83Å; K481-L484 WeakPolarHBondContact O-CB 3.34Å; K481-L484 PolarHBondContact O-N 3.1Å; K481-V485 WeakPolarHBondContact O-CG2 3.46Å; K481-V485 PolarHBondContact O-N 3.28Å; K481-V485 VanDerWaalsContact O-N 3.14Å
482	Q	91.6	Very high	88	Confident	104 Å²	104	80.2 Å²	80.2	49%	0.486	38%	0.378	S	S	.	.	H	α-helix	trans	-66.1	-40.4	173.9	-68.4	172.9	16.3	0	0	112.4	E478 K479 L480 L484 V485 R486	E478-Q482 WeakPolarHBondContact O-CG 3.39Å; E478-Q482 PolarHBondContact O-N 3.16Å; K479-Q482 WeakPolarHBondContact O-CB 3.28Å; K479-Q482 PolarHBondContact O-N 3.17Å; L480-Q482 VanDerWaalsContact C-N 3.34Å; Q482-L484 VanDerWaalsContact C-N 3.33Å; Q482-V485 PolarHBondContact O-N 3.5Å; Q482-R486 PolarHBondContact O-N 2.81Å
483	D	89.2	Confident	87.7	Confident	37 Å²	37	81.3 Å²	81.3	20%	0.198	38%	0.381	C	S	.	.	H	α-helix	trans	-62.1	-41.3	174.2	-70.8	-18.2	0	0	0	111.5	L410 K479 L480 V485 R486 A487	L410-D483 HydrophobicContact CD1-CB 3.85Å; L410-D483 HydrophobicContact CD2-CB 3.82Å; L410-D483 HydrophobicContact CG-CB 4.45Å; K479-D483 PolarHBondContact O-N 3.29Å; L480-D483 PolarHBondContact O-N 2.94Å; D483-V485 VanDerWaalsContact C-N 3.34Å; D483-V485 PolarHBondContact O-N 3.14Å; D483-R486 WeakPolarHBondContact O-CB 3.33Å; D483-R486 PolarHBondContact O-N 3.48Å; D483-R486 VanDerWaalsContact O-N 3.14Å; D483-R486 IonicContact OD1-CZ 2.84Å; D483-R486 IonicContact OD1-NE 3.63Å; D483-R486 IonicContact OD1-NH2 2.79Å; D483-R486 PolarHBondContact OD1-NH2 2.97Å; D483-A487 PolarHBondContact O-N 3.41Å
484	L	86.1	Confident	87.3	Confident	19 Å²	19	78 Å²	78	10%	0.099	37%	0.37	C	S	.	.	H	α-helix	trans	-60.9	-41.3	177.2	179	63.3	0	0	0	112	A407 L410 A411 L480 K481 Q482 R486 A487 R488	A407-L484 HydrophobicContact CB-CD1 3.99Å; A407-L484 WeakPolarHBondContact O-CD1 3.33Å; L410-L484 HydrophobicContact CB-CB 4.22Å; L410-L484 HydrophobicContact CB-CD1 4.19Å; A411-L484 HydrophobicContact CB-CD1 4.21Å; A411-L484 HydrophobicContact CB-CD2 4.12Å; L480-L484 WeakPolarHBondContact O-CB 3.39Å; L480-L484 PolarHBondContact O-N 3.27Å; K481-L484 WeakPolarHBondContact O-CB 3.34Å; K481-L484 PolarHBondContact O-N 3.1Å; Q482-L484 VanDerWaalsContact C-N 3.33Å; L484-R486 VanDerWaalsContact C-N 3.29Å; L484-R486 PolarHBondContact O-N 3.21Å; L484-A487 PolarHBondContact O-N 2.99Å; L484-R488 HydrophobicContact CD1-CG 4.49Å; L484-R488 WeakPolarHBondContact O-CG 3.43Å; L484-R488 PolarHBondContact O-N 2.93Å
485	V	89.5	Confident	87.1	Confident	100 Å²	100	79.9 Å²	79.9	61%	0.606	37%	0.369	S	S	*	.	H	α-helix	trans	-60.6	-41.4	175.2	172.6	0	0	0	0	110.9	K481 Q482 D483 R488 H489	K481-V485 WeakPolarHBondContact O-CG2 3.46Å; K481-V485 PolarHBondContact O-N 3.28Å; K481-V485 VanDerWaalsContact O-N 3.14Å; Q482-V485 PolarHBondContact O-N 3.5Å; D483-V485 VanDerWaalsContact C-N 3.34Å; D483-V485 PolarHBondContact O-N 3.14Å; V485-R488 PolarHBondContact O-N 3.02Å; V485-H489 PolarHBondContact O-N 3.05Å
486	R	87.8	Confident	86.7	Confident	162 Å²	162	75.2 Å²	75.2	61%	0.611	36%	0.359	S	S	*	.	H	α-helix	trans	-65.2	-41.9	176.3	-67.4	-170.1	-81.7	-156.3	-4	112.1	Q482 D483 L484 H489 A490	Q482-R486 PolarHBondContact O-N 2.81Å; D483-R486 WeakPolarHBondContact O-CB 3.33Å; D483-R486 PolarHBondContact O-N 3.48Å; D483-R486 VanDerWaalsContact O-N 3.14Å; D483-R486 IonicContact OD1-CZ 2.84Å; D483-R486 IonicContact OD1-NE 3.63Å; D483-R486 IonicContact OD1-NH2 2.79Å; D483-R486 PolarHBondContact OD1-NH2 2.97Å; L484-R486 VanDerWaalsContact C-N 3.29Å; L484-R486 PolarHBondContact O-N 3.21Å; R486-H489 PolarHBondContact O-N 3.25Å; R486-A490 PolarHBondContact O-N 3.2Å
487	A	83.5	Confident	86.1	Confident	11 Å²	11	77.6 Å²	77.6	9%	0.091	37%	0.368	C	S	.	.	H	α-helix	trans	-63.1	-43.3	176.3	0	0	0	0	0	111.9	S403 T406 A407 L410 D483 L484 H489 A490 E491	S403-A487 PolarHBondContact OG-O 2.93Å; T406-A487 HydrophobicContact CG2-CB 4.35Å; A407-A487 HydrophobicContact CB-CB 4.18Å; L410-A487 HydrophobicContact CD1-CB 3.94Å; D483-A487 PolarHBondContact O-N 3.41Å; L484-A487 PolarHBondContact O-N 2.99Å; A487-H489 VanDerWaalsContact C-N 3.35Å; A487-H489 PolarHBondContact O-N 3.47Å; A487-A490 WeakPolarHBondContact O-CB 3.28Å; A487-A490 PolarHBondContact O-N 2.93Å; A487-E491 PolarHBondContact O-N 3.4Å
488	R	84.8	Confident	85.7	Confident	145 Å²	145	78.8 Å²	78.8	55%	0.547	37%	0.373	S	S	.	.	H	α-helix	trans	-64.3	-37	175.4	-74.6	-178.2	176.5	172.6	0.8	112.9	L484 V485 E491 Q492	L484-R488 HydrophobicContact CD1-CG 4.49Å; L484-R488 WeakPolarHBondContact O-CG 3.43Å; L484-R488 PolarHBondContact O-N 2.93Å; V485-R488 PolarHBondContact O-N 3.02Å; R488-E491 WeakPolarHBondContact O-CB 3.47Å; R488-E491 PolarHBondContact O-N 2.95Å; R488-Q492 PolarHBondContact O-N 3.07Å
489	H	88.4	Confident	85.2	Confident	116 Å²	116	80 Å²	80	54%	0.537	38%	0.379	S	S	.	.	H	α-helix	trans	-65	-40.4	173.9	-174.2	-92.4	0	0	0	111.6	V485 R486 A487 Q492 L493	V485-H489 PolarHBondContact O-N 3.05Å; R486-H489 PolarHBondContact O-N 3.25Å; A487-H489 VanDerWaalsContact C-N 3.35Å; A487-H489 PolarHBondContact O-N 3.47Å; H489-Q492 PolarHBondContact O-N 2.85Å; H489-L493 WeakPolarHBondContact O-CG 3.36Å; H489-L493 PolarHBondContact O-N 3.4Å
490	A	80.8	Confident	84.6	Confident	45 Å²	45	79.7 Å²	79.7	37%	0.372	38%	0.379	S	S	.	.	H	α-helix	trans	-63.7	-39.5	174.5	0	0	0	0	0	112.4	R486 A487 L493 A494	R486-A490 PolarHBondContact O-N 3.2Å; A487-A490 WeakPolarHBondContact O-CB 3.28Å; A487-A490 PolarHBondContact O-N 2.93Å; A490-L493 PolarHBondContact O-N 2.84Å; A490-A494 PolarHBondContact O-N 2.93Å
491	E	82.4	Confident	83.9	Confident	29 Å²	29	80.2 Å²	80.2	14%	0.136	38%	0.383	C	S	.	.	H	α-helix	trans	-60.8	-46.1	174.5	-174.7	-167.5	154.6	0	0	111.1	L400 S403 E404 A487 R488 L493 A494 R495	L400-E491 HydrophobicContact CD1-CG 3.72Å; S403-E491 WeakPolarHBondContact OG-CA 3.38Å; S403-E491 PolarHBondContact OG-N 2.74Å; E404-E491 HydrophobicContact CG-CG 4.09Å; A487-E491 PolarHBondContact O-N 3.4Å; R488-E491 WeakPolarHBondContact O-CB 3.47Å; R488-E491 PolarHBondContact O-N 2.95Å; E491-L493 PolarHBondContact O-N 3.5Å; E491-A494 PolarHBondContact O-N 2.87Å; E491-R495 PolarHBondContact O-N 3.24Å; E491-R495 IonicContact OE1-CZ 3.05Å; E491-R495 IonicContact OE1-NH1 2.98Å; E491-R495 PolarHBondContact OE1-NH1 3.27Å; E491-R495 IonicContact OE1-NH2 3.85Å; E491-R495 PolarHBondContact OE1-NH2 3.44Å
492	Q	86	Confident	83.2	Confident	133 Å²	133	81.8 Å²	81.8	62%	0.621	39%	0.394	S	S	*	.	H	α-helix	trans	-65.8	-37	178.2	-170.2	162.7	-0	0	0	112.5	R488 H489 R495 S496	R488-Q492 PolarHBondContact O-N 3.07Å; H489-Q492 PolarHBondContact O-N 2.85Å; Q492-R495 PolarHBondContact O-N 2.89Å; Q492-S496 WeakPolarHBondContact O-CB 3.32Å; Q492-S496 PolarHBondContact O-N 2.96Å; Q492-S496 PolarHBondContact O-OG 3.2Å
493	L	85.3	Confident	82.2	Confident	91 Å²	91	81.3 Å²	81.3	48%	0.476	40%	0.399	S	S	.	.	H	α-helix	trans	-63.8	-43.5	171.9	-74.8	168.9	0	0	0	111.9	H489 A490 E491 S496 K497	H489-L493 WeakPolarHBondContact O-CG 3.36Å; H489-L493 PolarHBondContact O-N 3.4Å; A490-L493 PolarHBondContact O-N 2.84Å; E491-L493 PolarHBondContact O-N 3.5Å; L493-S496 PolarHBondContact O-N 3.42Å; L493-K497 PolarHBondContact O-N 3.26Å
494	A	77.8	Confident	80.6	Confident	9 Å²	9	83.9 Å²	83.9	7%	0.074	41%	0.413	C	S	.	.	H	α-helix	trans	-63.6	-42.3	177.1	0	0	0	0	0	111.6	A399 L400 A490 E491 K497 L498	A399-A494 HydrophobicContact CB-CB 4.38Å; L400-A494 HydrophobicContact CB-CB 4.12Å; L400-A494 HydrophobicContact CD1-CB 4.36Å; A490-A494 PolarHBondContact O-N 2.93Å; E491-A494 PolarHBondContact O-N 2.87Å; A494-K497 PolarHBondContact O-N 3.44Å; A494-L498 PolarHBondContact O-N 3.39Å
495	R	84.6	Confident	79	Confident	115 Å²	115	87 Å²	87	43%	0.434	43%	0.433	S	S	.	.	H	α-helix	trans	-62.1	-42.5	173.2	-73.9	-166.6	179.7	121.3	9.1	112.5	L400 E404 E491 Q492 L498 Q499	L400-R495 HydrophobicContact CD1-CG 3.57Å; L400-R495 HydrophobicContact CD2-CG 4.07Å; L400-R495 HydrophobicContact CG-CG 4.48Å; E404-R495 IonicContact OE1-CZ 3.33Å; E404-R495 IonicContact OE1-NH2 2.78Å; E404-R495 PolarHBondContact OE1-NH2 2.97Å; E491-R495 PolarHBondContact O-N 3.24Å; E491-R495 IonicContact OE1-CZ 3.05Å; E491-R495 IonicContact OE1-NH1 2.98Å; E491-R495 PolarHBondContact OE1-NH1 3.27Å; E491-R495 IonicContact OE1-NH2 3.85Å; E491-R495 PolarHBondContact OE1-NH2 3.44Å; Q492-R495 PolarHBondContact O-N 2.89Å; R495-L498 PolarHBondContact O-N 3.47Å; R495-Q499 WeakPolarHBondContact O-CB 3.09Å; R495-Q499 PolarHBondContact O-N 3.45Å
496	S	83.9	Confident	76.8	Confident	49 Å²	49	92.3 Å²	92.3	34%	0.343	44%	0.444	S	S	.	.	H	α-helix	trans	-63.4	-44.6	179	-56.2	0	0	0	0	111.3	Q492 L493 L498 Q499 E500	Q492-S496 WeakPolarHBondContact O-CB 3.32Å; Q492-S496 PolarHBondContact O-N 2.96Å; Q492-S496 PolarHBondContact O-OG 3.2Å; L493-S496 PolarHBondContact O-N 3.42Å; S496-L498 VanDerWaalsContact C-N 3.33Å; S496-L498 PolarHBondContact O-N 3.05Å; S496-Q499 WeakPolarHBondContact O-CB 3.17Å; S496-Q499 PolarHBondContact O-N 2.99Å; S496-Q499 VanDerWaalsContact O-N 3.14Å; S496-E500 WeakPolarHBondContact O-CG 3.38Å; S496-E500 PolarHBondContact O-N 3.32Å
497	K	77.8	Confident	74.4	Confident	133 Å²	133	87.9 Å²	87.9	58%	0.578	44%	0.438	S	S	*	.	H	α-helix	trans	-59.8	-42	173.8	-75.2	-176.3	178.6	-174.9	0	112.6	L493 A494 Q499 E500 V501	L493-K497 PolarHBondContact O-N 3.26Å; A494-K497 PolarHBondContact O-N 3.44Å; K497-Q499 VanDerWaalsContact C-N 3.3Å; K497-Q499 PolarHBondContact O-N 3.22Å; K497-E500 PolarHBondContact O-N 2.52Å; K497-V501 WeakPolarHBondContact O-CG2 3.13Å; K497-V501 PolarHBondContact O-N 2.82Å; K497-V501 VanDerWaalsContact O-N 3.15Å
498	L	79	Confident	72.3	Confident	30 Å²	30	92.5 Å²	92.5	16%	0.157	47%	0.467	C	S	.	.	H	α-helix	trans	-63.2	-40.6	176.3	-172	67.3	0	0	0	110.9	I393 A396 Q397 A494 R495 S496 V501 I502	I393-L498 HydrophobicContact CG2-CD1 4.15Å; A396-L498 HydrophobicContact CB-CB 4.34Å; A396-L498 HydrophobicContact CB-CD1 4.15Å; Q397-L498 HydrophobicContact CG-CD1 4.11Å; A494-L498 PolarHBondContact O-N 3.39Å; R495-L498 PolarHBondContact O-N 3.47Å; S496-L498 VanDerWaalsContact C-N 3.33Å; S496-L498 PolarHBondContact O-N 3.05Å; L498-V501 PolarHBondContact O-N 2.87Å; L498-I502 HydrophobicContact CD1-CD1 4.27Å; L498-I502 HydrophobicContact CG-CD1 3.87Å; L498-I502 WeakPolarHBondContact O-CB 3.39Å; L498-I502 WeakPolarHBondContact O-CD1 3.25Å; L498-I502 WeakPolarHBondContact O-CG1 3.38Å; L498-I502 PolarHBondContact O-N 3.09Å; L498-I502 VanDerWaalsContact O-N 3.09Å
499	Q	81.2	Confident	70	Confident	124 Å²	124	92 Å²	92	58%	0.579	48%	0.48	S	S	*	.	H	α-helix	trans	-66.4	-40.8	176.9	-170.4	173.3	0.1	0	0	112.2	R495 S496 K497 V501 I502 T503	R495-Q499 WeakPolarHBondContact O-CB 3.09Å; R495-Q499 PolarHBondContact O-N 3.45Å; S496-Q499 WeakPolarHBondContact O-CB 3.17Å; S496-Q499 PolarHBondContact O-N 2.99Å; S496-Q499 VanDerWaalsContact O-N 3.14Å; K497-Q499 VanDerWaalsContact C-N 3.3Å; K497-Q499 PolarHBondContact O-N 3.22Å; Q499-V501 PolarHBondContact O-N 3.47Å; Q499-I502 PolarHBondContact O-N 2.86Å; Q499-T503 HydrophobicContact CG-CG2 3.98Å; Q499-T503 WeakPolarHBondContact O-CB 3.23Å; Q499-T503 PolarHBondContact O-N 2.86Å; Q499-T503 PolarHBondContact O-OG1 3.1Å
500	E	78.8	Confident	67.6	Low	127 Å²	127	92 Å²	92	59%	0.593	49%	0.491	S	S	*	.	H	α-helix	trans	-58.4	-45.6	175.2	-75.6	172.1	-176.4	0	0	111.7	S496 K497 I502 N504	S496-E500 WeakPolarHBondContact O-CG 3.38Å; S496-E500 PolarHBondContact O-N 3.32Å; K497-E500 PolarHBondContact O-N 2.52Å; E500-I502 VanDerWaalsContact C-N 3.33Å; E500-I502 PolarHBondContact O-N 3.15Å; E500-N504 WeakPolarHBondContact O-CB 3.37Å; E500-N504 PolarHBondContact O-N 3.45Å
501	V	73.6	Confident	65.4	Low	31 Å²	31	99.4 Å²	99.4	19%	0.188	52%	0.515	C	S	.	.	H	α-helix	trans	-68.7	-31.8	179.4	-179.3	0	0	0	0	112	L389 I393 K497 L498 Q499	L389-V501 HydrophobicContact CD2-CG1 4.06Å; I393-V501 HydrophobicContact CD1-CG1 3.95Å; I393-V501 HydrophobicContact CG1-CB 4.37Å; I393-V501 HydrophobicContact CG1-CG1 3.5Å; I393-V501 VanDerWaalsContact CG1-CG1 3.5Å; K497-V501 WeakPolarHBondContact O-CG2 3.13Å; K497-V501 PolarHBondContact O-N 2.82Å; K497-V501 VanDerWaalsContact O-N 3.15Å; L498-V501 PolarHBondContact O-N 2.87Å; Q499-V501 PolarHBondContact O-N 3.47Å
502	I	74.6	Confident	62.9	Low	107 Å²	107	105.7 Å²	105.7	55%	0.549	55%	0.548	S	S	.	.	H	α-helix	trans	-80	-42.7	179.2	-68.4	168	0	0	0	112.2	L498 Q499 E500	L498-I502 HydrophobicContact CD1-CD1 4.27Å; L498-I502 HydrophobicContact CG-CD1 3.87Å; L498-I502 WeakPolarHBondContact O-CB 3.39Å; L498-I502 WeakPolarHBondContact O-CD1 3.25Å; L498-I502 WeakPolarHBondContact O-CG1 3.38Å; L498-I502 PolarHBondContact O-N 3.09Å; L498-I502 VanDerWaalsContact O-N 3.09Å; Q499-I502 PolarHBondContact O-N 2.86Å; E500-I502 VanDerWaalsContact C-N 3.33Å; E500-I502 PolarHBondContact O-N 3.15Å
503	T	70.5	Confident	60.3	Low	95 Å²	95	106.6 Å²	106.6	58%	0.583	56%	0.557	S	S	*	*	H	α-helix	trans	-83.1	-15.7	-172	50.9	0	0	0	0	113.4	Q499 P505	Q499-T503 HydrophobicContact CG-CG2 3.98Å; Q499-T503 WeakPolarHBondContact O-CB 3.23Å; Q499-T503 PolarHBondContact O-N 2.86Å; Q499-T503 PolarHBondContact O-OG1 3.1Å; T503-P505 WeakPolarHBondContact O-CD 3.46Å
504	N	56.6	Low	57.8	Low	91 Å²	91	106 Å²	106	49%	0.487	56%	0.559	S	S	.	*			trans	-122.3	65.5	-177.6	-156.4	11	0	0	0	114.8	E500 Y506 S507	E500-N504 WeakPolarHBondContact O-CB 3.37Å; E500-N504 PolarHBondContact O-N 3.45Å; N504-Y506 PolarHBondContact O-N 3.16Å; N504-S507 WeakPolarHBondContact ND2-CB 3.37Å; N504-S507 WeakPolarHBondContact OD1-CB 3.23Å; N504-S507 PolarHBondContact OD1-N 3.06Å
505	P	51.2	Low	55.7	Low	83 Å²	83	115.5 Å²	115.5	54%	0.539	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.3	4.6	174.3	25.4	-25.7	0	0	0	114.4	T503	T503-P505 WeakPolarHBondContact O-CD 3.46Å
506	Y	44.4	Very low	53.4	Low	212 Å²	212	119.7 Å²	119.7	83%	0.831	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.2	19.3	-169.3	-70.6	-73.4	0	0	0	117	N504	N504-Y506 PolarHBondContact O-N 3.16Å
507	S	37.4	Very low	50.9	Low	69 Å²	69	121 Å²	121	48%	0.483	64%	0.64	S	S	.	*			trans	-105.7	120.5	175.6	-155.6	0	0	0	0	112.2	N504 V509	N504-S507 WeakPolarHBondContact ND2-CB 3.37Å; N504-S507 WeakPolarHBondContact OD1-CB 3.23Å; N504-S507 PolarHBondContact OD1-N 3.06Å; S507-V509 PolarHBondContact O-N 3.38Å
508	P	38.3	Very low	48.7	Very low	109 Å²	109	123.1 Å²	123.1	71%	0.708	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-65.4	126.6	170.9	-2.6	16.1	0	0	0	108.6	P510	P508-P510 WeakPolarHBondContact O-CD 3.38Å
509	V	36.7	Very low	46.7	Very low	134 Å²	134	131.1 Å²	131.1	81%	0.812	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-72.5	117.3	172.3	-158	0	0	0	0	108.1	S507	S507-V509 PolarHBondContact O-N 3.38Å
510	P	38.5	Very low	44.2	Very low	117 Å²	117	133.5 Å²	133.5	76%	0.76	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-77.9	131.7	170.9	-8.1	26.9	0	0	0	109.2	P508 L512	P508-P510 WeakPolarHBondContact O-CD 3.38Å; P510-L512 PolarHBondContact O-N 2.9Å
511	F	35.2	Very low	42	Very low	200 Å²	200	136.6 Å²	136.6	88%	0.877	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-55.6	131.7	168.7	-87.4	-100	0	0	0	111.1
512	L	30.4	Very low	39.9	Very low	160 Å²	160	140.1 Å²	140.1	84%	0.838	74%	0.738	S	S	*	*			trans	-0.7	117	155.7	-72.3	150.4	0	0	0	116.5	P510	P510-L512 PolarHBondContact O-N 2.9Å
513	N	31.3	Very low	37.8	Very low	153 Å²	153	144.5 Å²	144.5	82%	0.818	75%	0.749	S	S	*	*			trans	-142	123	142.2	-130.4	7.9	0	0	0	108.4
514	P	31.2	Very low	36	Very low	77 Å²	77	146.9 Å²	146.9	50%	0.5	75%	0.753	S	S	.	*			trans	-76.1	169.2	169.3	21.7	-10	0	0	0	109.6
515	Y	35.4	Very low	34.9	Very low	209 Å²	209	147.7 Å²	147.7	82%	0.82	76%	0.764	S	S	*	*			trans	94.9	129.4	176.2	-38.2	-61.9	0	0	0	115.8
516	E	34.9	Very low	34.1	Very low	203 Å²	203	153.8 Å²	153.8	95%	0.949	78%	0.777	S	S	*	*			trans	82.6	119.5	177	-53.6	-177.5	166.6	0	0	114.5
517	G	32.5	Very low	33.8	Very low	77 Å²	77	149.1 Å²	149.1	79%	0.794	77%	0.773	S	S	*	*			cis	148.1	123.2	15.1	0	0	0	0	0	106.7
518	M	32.1	Very low	33.4	Very low	177 Å²	177	151.6 Å²	151.6	87%	0.872	79%	0.789	S	S	*	*			trans	-36.3	141.2	-176.3	-63.3	169.2	81.9	0	0	116.5
519	Q	35.4	Very low	33.4	Very low	199 Å²	199	152.3 Å²	152.3	93%	0.93	79%	0.794	S	S	*	*				-171.2	132.4	117.2	-99.6	163.7	18.3	0	0	113.1
520	Q	28.9	Very low	33.2	Very low	173 Å²	173	154.7 Å²	154.7	81%	0.808	80%	0.796	S	S	*	*			trans	-91.4	151.1	179	-72.3	166.6	-27.8	0	0	111.8
521	Q	34	Very low	33.3	Very low	192 Å²	192	154.3 Å²	154.3	90%	0.897	79%	0.793	S	S	*	*			trans	179.7	101.3	142.3	-101.1	172.4	12.3	0	0	106.6
522	V	27.8	Very low	33.3	Very low	106 Å²	106	151 Å²	151	64%	0.642	79%	0.789	S	S	*	*				64.3	134.4	69.8	-164.1	0	0	0	0	114.6
523	Y	32	Very low	33.4	Very low	199 Å²	199	151.4 Å²	151.4	78%	0.78	79%	0.787	S	S	*	*			trans	92.9	136.1	172.7	-63	-79.7	0	0	0	116.4
524	Q	31.7	Very low	33.7	Very low	144 Å²	144	154.6 Å²	154.6	67%	0.673	79%	0.794	S	S	*	*			cis	178.9	149	-27.6	-119.9	-160.9	-11.8	0	0	104.8
525	P	32.8	Very low	33.9	Very low	109 Å²	109	161.8 Å²	161.8	71%	0.708	81%	0.811	S	S	*	*			trans	-107.7	158.2	-172.9	39.2	-30.9	0	0	0	114.3
526	Y	35	Very low	34	Very low	210 Å²	210	157.4 Å²	157.4	82%	0.824	81%	0.808	S	S	*	*			trans	-152	158.8	166.9	-85.2	-64.4	0	0	0	112.2
527	P	38.7	Very low	34.2	Very low	115 Å²	115	158.4 Å²	158.4	75%	0.747	81%	0.805	S	S	*	*			trans	-121.3	173.1	-133.2	22.8	1.7	0	0	0	115.7
528	C	27.8	Very low	34.5	Very low	121 Å²	121	159.7 Å²	159.7	82%	0.818	81%	0.808	S	S	*	*			trans	-58.3	162.8	175.4	-60.9	0	0	0	0	114.8
529	P	39.9	Very low	34.8	Very low	124 Å²	124	158.4 Å²	158.4	81%	0.805	81%	0.805	S	S	*	*				-149.2	173	107.8	32	-11.2	0	0	0	116.7
530	H	32.9	Very low	35	Very low	184 Å²	184	154.9 Å²	154.9	85%	0.852	80%	0.799	S	S	*	*			trans	-76.5	-158.4	-169.1	-58.6	-90.3	0	0	0	116.9
531	P	39.6	Very low	35.4	Very low	108 Å²	108	153 Å²	153	70%	0.701	80%	0.799	S	S	*	*				-128.1	143.3	-101.9	37.9	-17.8	0	0	0	114.8
532	T	35.7	Very low	35.5	Very low	131 Å²	131	148.6 Å²	148.6	80%	0.804	79%	0.789	S	S	*	*			trans	-163.4	133.2	154.8	-21.1	0	0	0	0	112.9
533	E	31.2	Very low	36	Very low	169 Å²	169	148.4 Å²	148.4	79%	0.79	79%	0.791	S	S	*	*			trans	26.1	120.5	153.1	-66.3	173.8	-177.6	0	0	120
534	F	37.5	Very low	36.5	Very low	220 Å²	220	146.2 Å²	146.2	97%	0.965	79%	0.792	S	S	*	*			trans	-160.4	138.5	137.6	-108.3	-77.5	0	0	0	112.6
535	R	35.6	Very low	36.8	Very low	228 Å²	228	146.7 Å²	146.7	86%	0.86	80%	0.798	S	S	*	*			trans	-68.5	167.2	177.1	-107.4	-170.3	-173.7	-177.9	3	113.1
536	P	38.8	Very low	37	Very low	117 Å²	117	149.5 Å²	149.5	76%	0.76	80%	0.803	S	S	*	*			trans	-85.8	138.7	-149.6	34.6	-35.4	0	0	0	113.6
537	Y	38.3	Very low	37.3	Very low	224 Å²	224	143.7 Å²	143.7	88%	0.878	79%	0.79	S	S	*	*			trans	-123.3	128.6	161.2	-87.1	-88.4	0	0	0	108.8	N539	Y537-N539 PolarHBondContact O-N 2.78Å
538	A	37.9	Very low	37.5	Very low	103 Å²	103	140.1 Å²	140.1	85%	0.851	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-58.9	123.2	175.6	0	0	0	0	0	110.4
539	N	39.5	Very low	38.5	Very low	151 Å²	151	141 Å²	141	81%	0.807	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-102.4	143.7	163	-87.8	-25.1	0	0	0	109.3	Y537	Y537-N539 PolarHBondContact O-N 2.78Å
540	P	40.2	Very low	39	Very low	125 Å²	125	145.1 Å²	145.1	81%	0.812	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-70.2	142.4	-172.6	-10.2	26.8	0	0	0	111.5
541	V	36.3	Very low	40.1	Very low	133 Å²	133	140.5 Å²	140.5	81%	0.806	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-57.6	129.4	179.2	175.1	0	0	0	0	111.4
542	S	37	Very low	40.6	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-69.3	124.5	163.9	-152.3	0	0	0	0	109	D544	S542-D544 VanDerWaalsContact C-N 3.3Å; S542-D544 PolarHBondContact O-N 2.75Å; S542-D544 VanDerWaalsContact O-N 3.11Å
543	P	37.7	Very low	41.8	Very low	103 Å²	103	140.2 Å²	140.2	67%	0.669	72%	0.723	S	S	*	*	S	Bend	trans	-83.5	30.6	-169.2	15.7	-5.2	0	0	0	116.6
544	D	41.7	Very low	43.6	Very low	153 Å²	153	135.5 Å²	135.5	82%	0.818	71%	0.709	S	S	*	*			trans	-111.8	21.3	-178.5	-81.4	-31.5	0	0	0	115.1	S542	S542-D544 VanDerWaalsContact C-N 3.3Å; S542-D544 PolarHBondContact O-N 2.75Å; S542-D544 VanDerWaalsContact O-N 3.11Å
545	I	38.9	Very low	44.4	Very low	154 Å²	154	130.2 Å²	130.2	79%	0.79	69%	0.691	S	S	*	*			trans	-126.2	60.7	164.5	-49.3	178.4	0	0	0	109
546	M	35.9	Very low	45.2	Very low	167 Å²	167	123 Å²	123	82%	0.823	68%	0.675	S	S	*	*			trans	-91.4	81.6	158.5	-70.9	-169.4	77.2	0	0	107.8	A548	M546-A548 VanDerWaalsContact C-N 3.34Å; M546-A548 PolarHBondContact O-N 2.93Å
547	V	42.4	Very low	46.6	Very low	89 Å²	89	120.3 Å²	120.3	54%	0.539	66%	0.663	S	S	.	*			trans	-57.6	111.1	151.9	177.7	0	0	0	0	104.2	E549 D551 I552	V547-E549 PolarHBondContact O-N 2.82Å; V547-D551 HydrophobicContact CG1-CB 4.2Å; V547-I552 HydrophobicContact CG1-CD1 4.43Å; V547-I552 HydrophobicContact CG1-CG1 4Å
548	A	43.3	Very low	47.9	Very low	40 Å²	40	115.2 Å²	115.2	33%	0.331	65%	0.647	S	S	.	*			trans	-56.4	133.7	-169.8	0	0	0	0	0	108.3	M546 R550 D551 I552	M546-A548 VanDerWaalsContact C-N 3.34Å; M546-A548 PolarHBondContact O-N 2.93Å; A548-R550 HydrophobicContact CB-CB 4.48Å; A548-R550 CarbonylContact O-C 3.58Å; A548-R550 PolarHBondContact O-N 3.04Å; A548-D551 WeakPolarHBondContact O-CB 3.45Å; A548-D551 PolarHBondContact O-N 3.26Å; A548-I552 PolarHBondContact O-N 2.91Å
549	E	47.1	Very low	48.4	Very low	138 Å²	138	115.3 Å²	115.3	65%	0.645	63%	0.632	S	S	*	*	H	α-helix	trans	-52.6	-22.2	177.7	-150.8	-170.3	144.2	0	0	112.2	V547 K553	V547-E549 PolarHBondContact O-N 2.82Å; E549-K553 WeakPolarHBondContact O-CG 3.17Å; E549-K553 PolarHBondContact O-N 3.07Å; E549-K553 IonicContact OE1-NZ 3.32Å; E549-K553 PolarHBondContact OE1-NZ 2.68Å
550	R	50.6	Low	49.6	Very low	211 Å²	211	112.4 Å²	112.4	80%	0.796	61%	0.614	S	S	*	*	H	α-helix	trans	-64.8	-42.2	169.9	-73.7	-176.3	177.9	151.9	0.4	113.7	A548 K553 S554	A548-R550 HydrophobicContact CB-CB 4.48Å; A548-R550 CarbonylContact O-C 3.58Å; A548-R550 PolarHBondContact O-N 3.04Å; R550-K553 PolarHBondContact O-N 3.3Å; R550-S554 WeakPolarHBondContact O-CB 3.38Å; R550-S554 PolarHBondContact O-N 3.09Å
551	D	56.3	Low	51	Low	88 Å²	88	112.7 Å²	112.7	47%	0.471	60%	0.602	S	S	.	*	H	α-helix	trans	-68.8	-41.2	-178.7	-62	-25.5	0	0	0	110.5	V547 A548 S554 L555	V547-D551 HydrophobicContact CG1-CB 4.2Å; A548-D551 WeakPolarHBondContact O-CB 3.45Å; A548-D551 PolarHBondContact O-N 3.26Å; D551-S554 PolarHBondContact O-N 3.03Å; D551-L555 WeakPolarHBondContact O-CB 3.41Å; D551-L555 WeakPolarHBondContact O-CD1 3.35Å; D551-L555 PolarHBondContact O-N 3.21Å
552	I	49.9	Very low	52.2	Low	100 Å²	100	113.1 Å²	113.1	51%	0.513	60%	0.595	S	S	.	*	H	α-helix	trans	-63.5	-44.7	175.3	-60.4	177.2	0	0	0	110.9	V547 A548 S554 L555 S556	V547-I552 HydrophobicContact CG1-CD1 4.43Å; V547-I552 HydrophobicContact CG1-CG1 4Å; A548-I552 PolarHBondContact O-N 2.91Å; I552-S554 VanDerWaalsContact C-N 3.35Å; I552-L555 PolarHBondContact O-N 2.95Å; I552-S556 VanDerWaalsContact O-CB 3.29Å; I552-S556 WeakPolarHBondContact O-CB 3.27Å; I552-S556 PolarHBondContact O-N 2.65Å
553	K	62.7	Low	53.2	Low	132 Å²	132	115.4 Å²	115.4	57%	0.574	59%	0.589	S	S	*	*	H	α-helix	trans	-64.5	-39.1	176.5	-74.6	177	-173.6	168.7	0	111.9	E549 R550 A557	E549-K553 WeakPolarHBondContact O-CG 3.17Å; E549-K553 PolarHBondContact O-N 3.07Å; E549-K553 IonicContact OE1-NZ 3.32Å; E549-K553 PolarHBondContact OE1-NZ 2.68Å; R550-K553 PolarHBondContact O-N 3.3Å; K553-A557 WeakPolarHBondContact O-CB 3.35Å; K553-A557 PolarHBondContact O-N 3.11Å
554	S	68.2	Low	54.4	Low	71 Å²	71	114.2 Å²	114.2	50%	0.497	58%	0.58	S	S	.	*	H	α-helix	trans	-64.7	-49	176.2	-165.2	0	0	0	0	111.6	R550 D551 I552 S556 A557 E558	R550-S554 WeakPolarHBondContact O-CB 3.38Å; R550-S554 PolarHBondContact O-N 3.09Å; D551-S554 PolarHBondContact O-N 3.03Å; I552-S554 VanDerWaalsContact C-N 3.35Å; S554-S556 PolarHBondContact O-N 3.49Å; S554-A557 PolarHBondContact O-N 2.9Å; S554-E558 PolarHBondContact O-N 3.43Å
555	L	53.5	Low	55.6	Low	109 Å²	109	110.9 Å²	110.9	57%	0.571	56%	0.559	S	S	*	*	H	α-helix	trans	-58.9	-44.8	175.2	-87.7	147.7	0	0	0	111.6	D551 I552 A557 E558 I559	D551-L555 WeakPolarHBondContact O-CB 3.41Å; D551-L555 WeakPolarHBondContact O-CD1 3.35Å; D551-L555 PolarHBondContact O-N 3.21Å; I552-L555 PolarHBondContact O-N 2.95Å; L555-A557 VanDerWaalsContact C-N 3.33Å; L555-A557 PolarHBondContact O-N 2.9Å; L555-E558 PolarHBondContact O-N 3.14Å; L555-I559 VanDerWaalsContact O-CG1 3.24Å; L555-I559 WeakPolarHBondContact O-CG1 3.16Å; L555-I559 PolarHBondContact O-N 3.24Å
556	S	52.3	Low	56.6	Low	75 Å²	75	111 Å²	111	52%	0.524	55%	0.551	S	S	.	*	H	α-helix	trans	-62.6	-38.5	177	-175.1	0	0	0	0	112.4	I552 S554 E560	I552-S556 VanDerWaalsContact O-CB 3.29Å; I552-S556 WeakPolarHBondContact O-CB 3.27Å; I552-S556 PolarHBondContact O-N 2.65Å; S554-S556 PolarHBondContact O-N 3.49Å; S556-E560 WeakPolarHBondContact O-CB 3.48Å; S556-E560 PolarHBondContact O-N 3.27Å
557	A	69.9	Low	58	Low	62 Å²	62	107.7 Å²	107.7	51%	0.512	54%	0.536	S	S	.	.	H	α-helix	trans	-70.7	-38.1	177.2	0	0	0	0	0	112.2	K553 S554 L555 E560 K561	K553-A557 WeakPolarHBondContact O-CB 3.35Å; K553-A557 PolarHBondContact O-N 3.11Å; S554-A557 PolarHBondContact O-N 2.9Å; L555-A557 VanDerWaalsContact C-N 3.33Å; L555-A557 PolarHBondContact O-N 2.9Å; A557-E560 PolarHBondContact O-N 2.99Å; A557-K561 VanDerWaalsContact O-CB 3.32Å; A557-K561 WeakPolarHBondContact O-CB 3.45Å; A557-K561 PolarHBondContact O-N 3.29Å
558	E	64.4	Low	59.4	Low	117 Å²	117	110.4 Å²	110.4	55%	0.547	54%	0.537	S	S	.	.	H	α-helix	trans	-63.1	-47.3	174.6	-159.2	93.8	-124.9	0	0	111	S554 L555 E560 K561 E562	S554-E558 PolarHBondContact O-N 3.43Å; L555-E558 PolarHBondContact O-N 3.14Å; E558-E560 PolarHBondContact O-N 3.39Å; E558-K561 PolarHBondContact O-N 2.94Å; E558-E562 WeakPolarHBondContact O-CB 3.48Å; E558-E562 PolarHBondContact O-N 3.2Å
559	I	49	Very low	60.7	Low	105 Å²	105	113.9 Å²	113.9	54%	0.538	54%	0.544	S	S	.	.	H	α-helix	trans	-59.5	-45.2	176.4	-68.8	165.3	0	0	0	110.9	L555 E562 R563	L555-I559 VanDerWaalsContact O-CG1 3.24Å; L555-I559 WeakPolarHBondContact O-CG1 3.16Å; L555-I559 PolarHBondContact O-N 3.24Å; I559-E562 PolarHBondContact O-N 3.1Å; I559-R563 VanDerWaalsContact O-CB 3.27Å; I559-R563 WeakPolarHBondContact O-CB 3.29Å; I559-R563 PolarHBondContact O-N 3.18Å
560	E	64.3	Low	61.8	Low	90 Å²	90	109.2 Å²	109.2	42%	0.421	53%	0.527	S	S	.	.	H	α-helix	trans	-69	-34.3	-179.8	-169.2	60	-153.6	0	0	112.1	S556 A557 E558 R563 T564	S556-E560 WeakPolarHBondContact O-CB 3.48Å; S556-E560 PolarHBondContact O-N 3.27Å; A557-E560 PolarHBondContact O-N 2.99Å; E558-E560 PolarHBondContact O-N 3.39Å; E560-R563 IonicContact OE1-NH1 2.98Å; E560-R563 IonicContact OE2-NH1 2.8Å; E560-R563 PolarHBondContact OE2-NH1 3.09Å; E560-T564 WeakPolarHBondContact O-CB 3.35Å; E560-T564 PolarHBondContact O-N 3.5Å; E560-T564 PolarHBondContact O-OG1 3.16Å
561	K	70.2	Confident	63.1	Low	131 Å²	131	105.1 Å²	105.1	57%	0.57	51%	0.514	S	S	*	.	H	α-helix	trans	-64.6	-48.4	173.3	-178.8	-172.7	170.9	-164.3	0	111.3	A557 E558 R563 T564 E565	A557-K561 VanDerWaalsContact O-CB 3.32Å; A557-K561 WeakPolarHBondContact O-CB 3.45Å; A557-K561 PolarHBondContact O-N 3.29Å; E558-K561 PolarHBondContact O-N 2.94Å; K561-R563 VanDerWaalsContact C-N 3.33Å; K561-R563 PolarHBondContact O-N 3.45Å; K561-T564 PolarHBondContact O-N 3.1Å; K561-E565 PolarHBondContact O-N 3.11Å
562	E	61.6	Low	64.2	Low	141 Å²	141	104.4 Å²	104.4	66%	0.659	51%	0.51	S	S	*	.	H	α-helix	trans	-61.2	-42.9	177.5	-168.7	175.4	-164.6	0	0	111	E558 I559 T564 E565 Y566	E558-E562 WeakPolarHBondContact O-CB 3.48Å; E558-E562 PolarHBondContact O-N 3.2Å; I559-E562 PolarHBondContact O-N 3.1Å; E562-T564 PolarHBondContact O-N 2.94Å; E562-E565 PolarHBondContact O-N 2.89Å; E562-Y566 WeakPolarHBondContact O-CB 3.23Å; E562-Y566 PolarHBondContact O-N 3.24Å
563	R	57	Low	65.6	Low	147 Å²	147	101.6 Å²	101.6	56%	0.555	50%	0.496	S	S	*	.	H	α-helix	trans	-59.9	-44.6	173.4	-174.6	-174	-178	-165.4	1.7	112.6	I559 E560 K561 E565 Y566 L567	I559-R563 VanDerWaalsContact O-CB 3.27Å; I559-R563 WeakPolarHBondContact O-CB 3.29Å; I559-R563 PolarHBondContact O-N 3.18Å; E560-R563 IonicContact OE1-NH1 2.98Å; E560-R563 IonicContact OE2-NH1 2.8Å; E560-R563 PolarHBondContact OE2-NH1 3.09Å; K561-R563 VanDerWaalsContact C-N 3.33Å; K561-R563 PolarHBondContact O-N 3.45Å; R563-E565 VanDerWaalsContact C-N 3.35Å; R563-Y566 PolarHBondContact O-N 2.92Å; R563-L567 HydrophobicContact CG-CD1 4.34Å; R563-L567 WeakPolarHBondContact O-CG 3.43Å; R563-L567 PolarHBondContact O-N 2.94Å
564	T	63.2	Low	66.5	Low	78 Å²	78	101 Å²	101	48%	0.479	50%	0.495	S	S	.	.	H	α-helix	trans	-64.6	-41.4	178.6	-58.5	0	0	0	0	111.1	E560 K561 E562 L567 R568	E560-T564 WeakPolarHBondContact O-CB 3.35Å; E560-T564 PolarHBondContact O-N 3.5Å; E560-T564 PolarHBondContact O-OG1 3.16Å; K561-T564 PolarHBondContact O-N 3.1Å; E562-T564 PolarHBondContact O-N 2.94Å; T564-L567 PolarHBondContact O-N 2.75Å; T564-R568 PolarHBondContact O-N 2.99Å
565	E	66.2	Low	67.4	Low	83 Å²	83	102.4 Å²	102.4	39%	0.388	49%	0.494	S	S	.	.	H	α-helix	trans	-64.9	-43	176.5	-167.3	-178	153	0	0	111.8	K561 E562 R563 R568 K569	K561-E565 PolarHBondContact O-N 3.11Å; E562-E565 PolarHBondContact O-N 2.89Å; R563-E565 VanDerWaalsContact C-N 3.35Å; E565-R568 PolarHBondContact O-N 3.49Å; E565-K569 HydrophobicContact CG-CD 4.32Å; E565-K569 WeakPolarHBondContact O-CB 3.49Å; E565-K569 WeakPolarHBondContact O-CG 2.93Å; E565-K569 PolarHBondContact O-N 3.49Å; E565-K569 VanDerWaalsContact OE1-CE 3.29Å; E565-K569 WeakPolarHBondContact OE1-CE 3.35Å; E565-K569 IonicContact OE1-NZ 2.65Å; E565-K569 PolarHBondContact OE1-NZ 3.44Å
566	Y	61.6	Low	69	Low	157 Å²	157	99.7 Å²	99.7	62%	0.616	48%	0.479	S	S	*	.	H	α-helix	trans	-58	-49.2	173.5	173.8	-93.2	0	0	0	111.6	E562 R563 R568 K569 S570	E562-Y566 WeakPolarHBondContact O-CB 3.23Å; E562-Y566 PolarHBondContact O-N 3.24Å; R563-Y566 PolarHBondContact O-N 2.92Å; Y566-R568 VanDerWaalsContact C-N 3.31Å; Y566-R568 PolarHBondContact O-N 2.74Å; Y566-K569 PolarHBondContact O-N 3.12Å; Y566-S570 VanDerWaalsContact O-CB 3.29Å; Y566-S570 WeakPolarHBondContact O-CB 3.46Å; Y566-S570 PolarHBondContact O-N 2.67Å
567	L	64.1	Low	70.7	Confident	98 Å²	98	97.5 Å²	97.5	51%	0.513	46%	0.461	S	S	.	.	H	α-helix	trans	-60.5	-39.7	178	-73.7	170.6	0	0	0	112.1	R563 T564 K571	R563-L567 HydrophobicContact CG-CD1 4.34Å; R563-L567 WeakPolarHBondContact O-CG 3.43Å; R563-L567 PolarHBondContact O-N 2.94Å; T564-L567 PolarHBondContact O-N 2.75Å; L567-K571 WeakPolarHBondContact O-CB 3.43Å; L567-K571 PolarHBondContact O-N 3.21Å
568	R	71.9	Confident	71.7	Confident	146 Å²	146	98.2 Å²	98.2	55%	0.551	46%	0.459	S	S	*	.	H	α-helix	trans	-65.9	-46	176.4	-169.1	-168.8	70.9	80.3	-0.9	111.8	T564 E565 Y566 K571 L572	T564-R568 PolarHBondContact O-N 2.99Å; E565-R568 PolarHBondContact O-N 3.49Å; Y566-R568 VanDerWaalsContact C-N 3.31Å; Y566-R568 PolarHBondContact O-N 2.74Å; R568-K571 PolarHBondContact O-N 3.13Å; R568-L572 WeakPolarHBondContact O-CB 3.44Å; R568-L572 PolarHBondContact O-N 3.37Å
569	K	69.8	Low	73	Confident	113 Å²	113	98.1 Å²	98.1	49%	0.491	46%	0.459	S	S	.	.	H	α-helix	trans	-62.2	-44.9	177.2	-78	173.7	167.9	166.2	0	111.1	E565 Y566 L572 L573	E565-K569 HydrophobicContact CG-CD 4.32Å; E565-K569 WeakPolarHBondContact O-CB 3.49Å; E565-K569 WeakPolarHBondContact O-CG 2.93Å; E565-K569 PolarHBondContact O-N 3.49Å; E565-K569 VanDerWaalsContact OE1-CE 3.29Å; E565-K569 WeakPolarHBondContact OE1-CE 3.35Å; E565-K569 IonicContact OE1-NZ 2.65Å; E565-K569 PolarHBondContact OE1-NZ 3.44Å; Y566-K569 PolarHBondContact O-N 3.12Å; K569-L572 PolarHBondContact O-N 3.05Å; K569-L573 WeakPolarHBondContact O-CB 3.44Å; K569-L573 PolarHBondContact O-N 2.98Å
570	S	72	Confident	75	Confident	39 Å²	39	93.5 Å²	93.5	27%	0.273	44%	0.435	S	S	.	.	H	α-helix	trans	-60.2	-45.8	176.3	178	0	0	0	0	112	Y566 L573 Q574	Y566-S570 VanDerWaalsContact O-CB 3.29Å; Y566-S570 WeakPolarHBondContact O-CB 3.46Å; Y566-S570 PolarHBondContact O-N 2.67Å; S570-L573 WeakPolarHBondContact O-CB 3.3Å; S570-L573 PolarHBondContact O-N 2.88Å; S570-Q574 WeakPolarHBondContact O-CG 3.42Å; S570-Q574 PolarHBondContact O-N 3.45Å
571	K	76	Confident	76.4	Confident	125 Å²	125	91.6 Å²	91.6	54%	0.543	42%	0.424	S	S	.	.	H	α-helix	trans	-62.3	-46.4	176.4	-175.5	-179.6	174.7	-168.3	0	112.3	L567 R568 L573 Q574 E575	L567-K571 WeakPolarHBondContact O-CB 3.43Å; L567-K571 PolarHBondContact O-N 3.21Å; R568-K571 PolarHBondContact O-N 3.13Å; K571-L573 VanDerWaalsContact C-N 3.28Å; K571-L573 PolarHBondContact O-N 2.86Å; K571-Q574 WeakPolarHBondContact O-CB 3.24Å; K571-Q574 PolarHBondContact O-N 3.45Å; K571-E575 WeakPolarHBondContact CE-OE1 3.24Å; K571-E575 IonicContact NZ-OE1 3.89Å; K571-E575 WeakPolarHBondContact O-CG 3.31Å; K571-E575 PolarHBondContact O-N 3.5Å
572	L	80.6	Confident	77.4	Confident	73 Å²	73	89.2 Å²	89.2	38%	0.382	42%	0.424	S	S	.	.	H	α-helix	trans	-59	-43.1	176.9	177.8	63.3	0	0	0	111.1	R568 K569 Q574 E575 Q576	R568-L572 WeakPolarHBondContact O-CB 3.44Å; R568-L572 PolarHBondContact O-N 3.37Å; K569-L572 PolarHBondContact O-N 3.05Å; L572-Q574 PolarHBondContact O-N 3.29Å; L572-E575 PolarHBondContact O-N 3.25Å; L572-Q576 HydrophobicContact CD1-CG 4.37Å; L572-Q576 WeakPolarHBondContact O-CG 3.39Å; L572-Q576 PolarHBondContact O-N 2.89Å
573	L	80	Confident	78.8	Confident	42 Å²	42	86.3 Å²	86.3	22%	0.22	41%	0.41	C	S	.	.	H	α-helix	trans	-61.2	-43.9	176.8	-174.9	70.8	0	0	0	111.7	L148 W199 K569 S570 K571 E575 Q576 L577	L148-L573 HydrophobicContact CD1-CD1 3.98Å; L148-L573 HydrophobicContact CD2-CD1 3.68Å; L148-L573 HydrophobicContact CD2-CD2 4.18Å; L148-L573 HydrophobicContact CD2-CG 4.2Å; W199-L573 HydrophobicContact CH2-CD1 3.91Å; W199-L573 HydrophobicContact CZ3-CD1 3.77Å; K569-L573 WeakPolarHBondContact O-CB 3.44Å; K569-L573 PolarHBondContact O-N 2.98Å; S570-L573 WeakPolarHBondContact O-CB 3.3Å; S570-L573 PolarHBondContact O-N 2.88Å; K571-L573 VanDerWaalsContact C-N 3.28Å; K571-L573 PolarHBondContact O-N 2.86Å; L573-E575 PolarHBondContact O-N 3.09Å; L573-Q576 PolarHBondContact O-N 3.32Å; L573-L577 HydrophobicContact CG-CD1 4.31Å; L573-L577 WeakPolarHBondContact O-CB 3.46Å; L573-L577 WeakPolarHBondContact O-CG 3.32Å; L573-L577 PolarHBondContact O-N 3.49Å
574	Q	80.9	Confident	80.5	Confident	118 Å²	118	79.4 Å²	79.4	55%	0.551	38%	0.384	S	S	*	.	H	α-helix	trans	-62.1	-41.4	176.2	-74.2	178.6	-18.5	0	0	112.6	S570 K571 L572 L577 T578	S570-Q574 WeakPolarHBondContact O-CG 3.42Å; S570-Q574 PolarHBondContact O-N 3.45Å; K571-Q574 WeakPolarHBondContact O-CB 3.24Å; K571-Q574 PolarHBondContact O-N 3.45Å; L572-Q574 PolarHBondContact O-N 3.29Å; Q574-L577 PolarHBondContact O-N 3.2Å; Q574-T578 WeakPolarHBondContact O-CB 3.46Å; Q574-T578 PolarHBondContact O-N 3.27Å; Q574-T578 PolarHBondContact O-OG1 2.9Å
575	E	87.6	Confident	81.8	Confident	101 Å²	101	79.4 Å²	79.4	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-61.9	-48.9	176.4	-73.3	172.6	172.3	0	0	110.8	K571 L572 L573 L577 T578 E579	K571-E575 WeakPolarHBondContact CE-OE1 3.24Å; K571-E575 IonicContact NZ-OE1 3.89Å; K571-E575 WeakPolarHBondContact O-CG 3.31Å; K571-E575 PolarHBondContact O-N 3.5Å; L572-E575 PolarHBondContact O-N 3.25Å; L573-E575 PolarHBondContact O-N 3.09Å; E575-L577 PolarHBondContact O-N 3.39Å; E575-T578 WeakPolarHBondContact O-CB 3.3Å; E575-T578 PolarHBondContact O-N 2.9Å; E575-T578 VanDerWaalsContact O-N 3.16Å; E575-E579 PolarHBondContact O-N 3.23Å
576	Q	85.8	Confident	82.9	Confident	53 Å²	53	79 Å²	79	25%	0.248	40%	0.396	C	S	.	.	H	α-helix	trans	-64.1	-37.9	178.5	-70.4	177	-48.5	0	0	113.1	W199 L572 L573 T578 E579 L580	W199-Q576 HydrophobicContact CH2-CB 3.24Å; W199-Q576 HydrophobicContact CH2-CG 4.03Å; W199-Q576 VanDerWaalsContact CH2-OE1 3.24Å; W199-Q576 HydrophobicContact CZ2-CB 3.58Å; W199-Q576 HydrophobicContact CZ3-CB 4.28Å; L572-Q576 HydrophobicContact CD1-CG 4.37Å; L572-Q576 WeakPolarHBondContact O-CG 3.39Å; L572-Q576 PolarHBondContact O-N 2.89Å; L573-Q576 PolarHBondContact O-N 3.32Å; Q576-T578 VanDerWaalsContact C-N 3.34Å; Q576-E579 PolarHBondContact O-N 3.45Å; Q576-L580 PolarHBondContact O-N 2.89Å
577	L	89.2	Confident	84.4	Confident	29 Å²	29	74.1 Å²	74.1	15%	0.152	38%	0.381	C	S	.	.	H	α-helix	trans	-66	-37.7	173.7	-75.2	176.4	0	0	0	111.9	E144 L148 L573 Q574 E575 R581	E144-L577 HydrophobicContact CB-CD2 4.09Å; E144-L577 HydrophobicContact CG-CB 4.29Å; E144-L577 HydrophobicContact CG-CD2 4.1Å; E144-L577 WeakPolarHBondContact O-CD2 3.47Å; L148-L577 HydrophobicContact CB-CD2 4.03Å; L148-L577 HydrophobicContact CD2-CD1 4.06Å; L148-L577 HydrophobicContact CD2-CD2 3.93Å; L148-L577 HydrophobicContact CD2-CG 4.29Å; L573-L577 HydrophobicContact CG-CD1 4.31Å; L573-L577 WeakPolarHBondContact O-CB 3.46Å; L573-L577 WeakPolarHBondContact O-CG 3.32Å; L573-L577 PolarHBondContact O-N 3.49Å; Q574-L577 PolarHBondContact O-N 3.2Å; E575-L577 PolarHBondContact O-N 3.39Å; L577-R581 WeakPolarHBondContact O-CB 3.32Å; L577-R581 PolarHBondContact O-N 3.41Å
578	T	90.4	Very high	85.8	Confident	76 Å²	76	70.5 Å²	70.5	47%	0.466	36%	0.361	S	S	.	.	H	α-helix	trans	-68.3	-38.5	176.6	-57	0	0	0	0	111.5	Q574 E575 Q576 S582	Q574-T578 WeakPolarHBondContact O-CB 3.46Å; Q574-T578 PolarHBondContact O-N 3.27Å; Q574-T578 PolarHBondContact O-OG1 2.9Å; E575-T578 WeakPolarHBondContact O-CB 3.3Å; E575-T578 PolarHBondContact O-N 2.9Å; E575-T578 VanDerWaalsContact O-N 3.16Å; Q576-T578 VanDerWaalsContact C-N 3.34Å; T578-S582 WeakPolarHBondContact O-CB 3.45Å; T578-S582 PolarHBondContact O-N 3.36Å; T578-S582 PolarHBondContact O-OG 3.18Å
579	E	92.1	Very high	86.8	Confident	116 Å²	116	64.7 Å²	64.7	54%	0.542	34%	0.341	S	S	.	.	H	α-helix	trans	-61.5	-53.6	173.2	-178.5	173.7	-151.3	0	0	110.6	E575 Q576 R581 S582 E583	E575-E579 PolarHBondContact O-N 3.23Å; Q576-E579 PolarHBondContact O-N 3.45Å; E579-R581 VanDerWaalsContact C-N 3.31Å; E579-R581 PolarHBondContact O-N 3.43Å; E579-S582 WeakPolarHBondContact O-CB 3.32Å; E579-S582 PolarHBondContact O-N 2.86Å; E579-E583 WeakPolarHBondContact O-CG 3.37Å; E579-E583 PolarHBondContact O-N 2.63Å
580	L	90.8	Very high	87.8	Confident	7 Å²	7	64.8 Å²	64.8	4%	0.037	34%	0.344	C	S	.	.	H	α-helix	trans	-57.2	-44.1	178.2	177.7	60	0	0	0	112.2	E144 V147 R195 Q576 S582 E583 I584	E144-L580 HydrophobicContact CB-CB 4.35Å; E144-L580 HydrophobicContact CB-CD2 3.99Å; E144-L580 HydrophobicContact CB-CG 4.14Å; V147-L580 HydrophobicContact CB-CD2 3.87Å; V147-L580 HydrophobicContact CG1-CD2 3.92Å; V147-L580 HydrophobicContact CG2-CD2 4.24Å; R195-L580 HydrophobicContact CG-CD1 4.25Å; Q576-L580 PolarHBondContact O-N 2.89Å; L580-S582 VanDerWaalsContact C-N 3.31Å; L580-S582 PolarHBondContact O-N 3.49Å; L580-E583 PolarHBondContact O-N 3.07Å; L580-I584 HydrophobicContact CD1-CG2 4.04Å; L580-I584 WeakPolarHBondContact O-CG1 3.46Å; L580-I584 PolarHBondContact O-N 3.27Å; L580-I584 VanDerWaalsContact O-N 3.1Å
581	R	92.6	Very high	88.7	Confident	51 Å²	51	71 Å²	71	19%	0.192	37%	0.368	C	S	.	.	H	α-helix	trans	-55.7	-48.3	174.5	-175.5	-165	-51.3	-70.6	-1.4	111	E144 L577 E579 E583 I584 E585 Y600	E144-R581 HydrophobicContact CB-CB 4.45Å; E144-R581 HydrophobicContact CG-CB 4.34Å; E144-R581 IonicContact OE1-CZ 2.69Å; E144-R581 IonicContact OE1-NH1 3.92Å; E144-R581 PolarHBondContact OE1-NH1 3.05Å; E144-R581 IonicContact OE1-NH2 3.55Å; E144-R581 PolarHBondContact OE1-NH2 3.01Å; E144-R581 IonicContact OE2-CZ 3.23Å; E144-R581 IonicContact OE2-NH1 2.75Å; E144-R581 PolarHBondContact OE2-NH1 2.89Å; E144-R581 IonicContact OE2-NH2 2.81Å; L577-R581 WeakPolarHBondContact O-CB 3.32Å; L577-R581 PolarHBondContact O-N 3.41Å; E579-R581 VanDerWaalsContact C-N 3.31Å; E579-R581 PolarHBondContact O-N 3.43Å; R581-E583 VanDerWaalsContact C-N 3.3Å; R581-E583 PolarHBondContact O-N 3.09Å; R581-I584 WeakPolarHBondContact O-CG1 3.29Å; R581-I584 PolarHBondContact O-N 3.34Å; R581-E585 WeakPolarHBondContact O-CB 3.36Å; R581-E585 PolarHBondContact O-N 3.27Å; R581-Y600 PolarHBondContact NH1-OH 2.92Å; R581-Y600 PolarHBondContact NH2-OH 3.32Å; R581-Y600 VanDerWaalsContact NH2-OH 3.12Å
582	S	92.5	Very high	89.5	Confident	81 Å²	81	71.8 Å²	71.8	57%	0.566	37%	0.368	S	S	*	.	H	α-helix	trans	-64.1	-36.9	-178.2	-56	0	0	0	0	112	T578 E579 L580	T578-S582 WeakPolarHBondContact O-CB 3.45Å; T578-S582 PolarHBondContact O-N 3.36Å; T578-S582 PolarHBondContact O-OG 3.18Å; E579-S582 WeakPolarHBondContact O-CB 3.32Å; E579-S582 PolarHBondContact O-N 2.86Å; L580-S582 VanDerWaalsContact C-N 3.31Å; L580-S582 PolarHBondContact O-N 3.49Å
583	E	91	Very high	90	Very high	80 Å²	80	69.6 Å²	69.6	37%	0.374	36%	0.356	S	S	.	.	H	α-helix	trans	-68.7	-40.7	178.9	-71.5	-179.7	-179.4	0	0	113.3	R195 E579 L580 R581	R195-E583 IonicContact CZ-OE2 2.85Å; R195-E583 IonicContact NH1-OE2 2.97Å; R195-E583 PolarHBondContact NH1-OE2 2.84Å; R195-E583 IonicContact NH2-OE2 2.67Å; R195-E583 PolarHBondContact NH2-OE2 3.41Å; E579-E583 WeakPolarHBondContact O-CG 3.37Å; E579-E583 PolarHBondContact O-N 2.63Å; L580-E583 PolarHBondContact O-N 3.07Å; R581-E583 VanDerWaalsContact C-N 3.3Å; R581-E583 PolarHBondContact O-N 3.09Å
584	I	91.6	Very high	90.6	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-83.8	-20.2	-178.6	68	-178.2	0	0	0	112.8	P143 Y185 M187 L580 R581 G586 L587 K588	P143-I584 HydrophobicContact CB-CD1 3.76Å; Y185-I584 HydrophobicContact CD1-CB 4.06Å; Y185-I584 HydrophobicContact CD1-CG1 4.36Å; Y185-I584 WeakPolarHBondContact CD1-O 3.47Å; Y185-I584 HydrophobicContact CE1-CB 3.9Å; Y185-I584 HydrophobicContact CE1-CD1 4.04Å; Y185-I584 HydrophobicContact CE1-CG1 3.72Å; Y185-I584 WeakPolarHBondContact CE1-O 3.5Å; Y185-I584 HydrophobicContact CE2-CD1 4.09Å; M187-I584 HydrophobicContact CE-CG2 4.44Å; M187-I584 HydrophobicContact SD-CB 4.32Å; M187-I584 HydrophobicContact SD-CG2 3.71Å; L580-I584 HydrophobicContact CD1-CG2 4.04Å; L580-I584 WeakPolarHBondContact O-CG1 3.46Å; L580-I584 PolarHBondContact O-N 3.27Å; L580-I584 VanDerWaalsContact O-N 3.1Å; R581-I584 WeakPolarHBondContact O-CG1 3.29Å; R581-I584 PolarHBondContact O-N 3.34Å; I584-G586 VanDerWaalsContact C-N 3.26Å; I584-G586 PolarHBondContact O-N 3.46Å; I584-L587 WeakPolarHBondContact O-CA 3.41Å; I584-L587 WeakPolarHBondContact O-CB 3.42Å; I584-L587 PolarHBondContact O-N 2.91Å; I584-K588 PolarHBondContact O-N 2.95Å
585	E	90.9	Very high	91.1	Very high	78 Å²	78	67.6 Å²	67.6	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-57.8	-37.9	-176.1	-167.6	65.2	-173.4	0	0	112.4	R581 L587 K588	R581-E585 WeakPolarHBondContact O-CB 3.36Å; R581-E585 PolarHBondContact O-N 3.27Å; E585-L587 PolarHBondContact O-N 3.37Å; E585-K588 VanDerWaalsContact O-CB 3.24Å; E585-K588 WeakPolarHBondContact O-CB 3.34Å; E585-K588 PolarHBondContact O-N 3.27Å; E585-K588 VanDerWaalsContact O-N 3.16Å
586	G	89.7	Confident	91.4	Very high	74 Å²	74	64.3 Å²	64.3	76%	0.763	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-13.6	176.4	0	0	0	0	0	114.9	I584	I584-G586 VanDerWaalsContact C-N 3.26Å; I584-G586 PolarHBondContact O-N 3.46Å
587	L	92.5	Very high	91.8	Very high	56 Å²	56	62 Å²	62	29%	0.293	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	0.5	178.2	-58.5	176.1	0	0	0	112.4	Y185 Q186 M187 M191 I584 E585	Y185-L587 CarbonylContact C-O 3.57Å; Y185-L587 WeakPolarHBondContact CA-O 3.49Å; Y185-L587 HydrophobicContact CD1-CB 4.38Å; Q186-L587 PolarHBondContact N-O 3.05Å; M187-L587 HydrophobicContact CG-CD1 3.64Å; M187-L587 HydrophobicContact SD-CD1 4.33Å; M191-L587 HydrophobicContact CE-CD1 3.83Å; I584-L587 WeakPolarHBondContact O-CA 3.41Å; I584-L587 WeakPolarHBondContact O-CB 3.42Å; I584-L587 PolarHBondContact O-N 2.91Å; E585-L587 PolarHBondContact O-N 3.37Å
588	K	93.3	Very high	92	Very high	22 Å²	22	66.8 Å²	66.8	10%	0.096	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-70.3	138.8	-175.1	-162.9	173.6	-176.8	-170	0	111.7	Y185 I584 E585 Q593	Y185-K588 HydrophobicContact CD1-CB 3.96Å; Y185-K588 HydrophobicContact CD1-CG 4.3Å; Y185-K588 HydrophobicContact CE1-CB 3.69Å; Y185-K588 HydrophobicContact CE1-CD 4.24Å; Y185-K588 HydrophobicContact CE1-CG 3.84Å; I584-K588 PolarHBondContact O-N 2.95Å; E585-K588 VanDerWaalsContact O-CB 3.24Å; E585-K588 WeakPolarHBondContact O-CB 3.34Å; E585-K588 PolarHBondContact O-N 3.27Å; E585-K588 VanDerWaalsContact O-N 3.16Å; K588-Q593 VanDerWaalsContact CE-CD 3.43Å; K588-Q593 VanDerWaalsContact NZ-CD 3.32Å; K588-Q593 VanDerWaalsContact NZ-NE2 3.17Å
589	V	93.3	Very high	92.1	Very high	23 Å²	23	63.4 Å²	63.4	14%	0.139	32%	0.322	C	S	.	.			trans	-99.8	104.5	174.6	-175.8	0	0	0	0	108.6	Q184 Q186 E591 R592	Q184-V589 PolarHBondContact O-N 3.14Å; Q186-V589 HydrophobicContact CG-CG2 3.62Å; V589-E591 VanDerWaalsContact C-N 3.26Å; V589-E591 WeakPolarHBondContact CG1-OE2 3.5Å; V589-E591 PolarHBondContact O-N 3.2Å; V589-R592 HydrophobicContact CB-CB 4.32Å; V589-R592 HydrophobicContact CB-CG 4.16Å; V589-R592 HydrophobicContact CG1-CB 4.39Å; V589-R592 HydrophobicContact CG1-CG 3.84Å; V589-R592 PolarHBondContact O-N 3.08Å
590	E	90.4	Very high	92.2	Very high	115 Å²	115	59.5 Å²	59.5	54%	0.537	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-54.6	-38.5	-175.3	-69	-60.5	123.1	0	0	113.2	R592 Q593	E590-R592 PolarHBondContact O-N 3.36Å; E590-Q593 WeakPolarHBondContact O-CB 3.47Å; E590-Q593 WeakPolarHBondContact O-CG 3.31Å; E590-Q593 PolarHBondContact O-N 3.18Å; E590-Q593 PolarHBondContact OE1-NE2 3.42Å; E590-Q593 PolarHBondContact OE2-NE2 2.96Å
591	E	92.2	Very high	92.3	Very high	169 Å²	169	61.7 Å²	61.7	79%	0.79	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-69.4	-14.6	-178.8	-57.3	86.4	176.5	0	0	113.8	V589	V589-E591 VanDerWaalsContact C-N 3.26Å; V589-E591 WeakPolarHBondContact CG1-OE2 3.5Å; V589-E591 PolarHBondContact O-N 3.2Å
592	R	91.9	Very high	92.3	Very high	142 Å²	142	64.7 Å²	64.7	54%	0.536	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-96.2	0.3	179.7	-63.8	-175.4	-178.5	-171.8	-1.6	113.1	D183 Q184 V589 E590	D183-R592 WeakPolarHBondContact O-CD 3.44Å; D183-R592 PolarHBondContact O-NH1 3.35Å; Q184-R592 HydrophobicContact CB-CB 4.27Å; V589-R592 HydrophobicContact CB-CB 4.32Å; V589-R592 HydrophobicContact CB-CG 4.16Å; V589-R592 HydrophobicContact CG1-CB 4.39Å; V589-R592 HydrophobicContact CG1-CG 3.84Å; V589-R592 PolarHBondContact O-N 3.08Å; E590-R592 PolarHBondContact O-N 3.36Å
593	Q	90.9	Very high	92.2	Very high	28 Å²	28	61.4 Å²	61.4	13%	0.131	31%	0.305	C	S	.	.			trans	-69.3	133.8	178.2	-66.2	-169.4	29.3	0	0	112	K588 E590 D597	K588-Q593 VanDerWaalsContact CE-CD 3.43Å; K588-Q593 VanDerWaalsContact NZ-CD 3.32Å; K588-Q593 VanDerWaalsContact NZ-NE2 3.17Å; E590-Q593 WeakPolarHBondContact O-CB 3.47Å; E590-Q593 WeakPolarHBondContact O-CG 3.31Å; E590-Q593 PolarHBondContact O-N 3.18Å; E590-Q593 PolarHBondContact OE1-NE2 3.42Å; E590-Q593 PolarHBondContact OE2-NE2 2.96Å; Q593-D597 HydrophobicContact CB-CB 4.44Å
594	T	92.3	Very high	92.2	Very high	47 Å²	47	61.2 Å²	61.2	29%	0.288	31%	0.306	S	S	.	.			trans	-87.5	165.8	175.5	71.1	0	0	0	0	111.8	R180 L596 D597 R598	R180-T594 HydrophobicContact CG-CG2 4.01Å; T594-L596 PolarHBondContact O-N 3.23Å; T594-L596 PolarHBondContact OG1-N 3.46Å; T594-D597 VanDerWaalsContact CB-OD2 3.32Å; T594-D597 WeakPolarHBondContact CB-OD2 3.39Å; T594-D597 PolarHBondContact N-OD2 3.42Å; T594-D597 WeakPolarHBondContact O-CB 3.45Å; T594-D597 PolarHBondContact O-N 2.93Å; T594-D597 VanDerWaalsContact O-N 3.11Å; T594-D597 VanDerWaalsContact OG1-CG 3.27Å; T594-D597 PolarHBondContact OG1-N 3.37Å; T594-D597 PolarHBondContact OG1-OD2 3Å; T594-R598 PolarHBondContact O-N 2.89Å
595	D	92.3	Very high	92.2	Very high	71 Å²	71	69.1 Å²	69.1	38%	0.38	34%	0.343	S	S	.	.	H	α-helix	trans	-57.2	-34.4	172.6	-68.9	-2.9	0	0	0	112.3	R598 A599	D595-R598 PolarHBondContact O-N 3.36Å; D595-R598 IonicContact OD1-CZ 2.76Å; D595-R598 IonicContact OD1-NE 3.33Å; D595-R598 IonicContact OD1-NH2 2.97Å; D595-R598 PolarHBondContact OD1-NH2 3.48Å; D595-A599 WeakPolarHBondContact O-CB 3.45Å; D595-A599 PolarHBondContact O-N 3.27Å
596	L	94.4	Very high	92.2	Very high	32 Å²	32	69.5 Å²	69.5	17%	0.168	35%	0.351	C	S	.	.	H	α-helix	trans	-72.1	-34.4	177.7	-62.7	172.8	0	0	0	111.7	Y140 M224 K257 L258 T594 R598 A599 Y600	Y140-L596 HydrophobicContact CD2-CB 3.48Å; Y140-L596 VanDerWaalsContact CD2-CB 3.48Å; Y140-L596 HydrophobicContact CD2-CD1 4.08Å; Y140-L596 HydrophobicContact CD2-CG 4.4Å; Y140-L596 HydrophobicContact CE2-CB 3.76Å; Y140-L596 HydrophobicContact CG-CB 4.14Å; M224-L596 HydrophobicContact SD-CD1 4.26Å; K257-L596 HydrophobicContact CB-CD2 4.32Å; L258-L596 HydrophobicContact CD1-CB 4.47Å; L258-L596 VanDerWaalsContact CD1-O 3.3Å; L258-L596 WeakPolarHBondContact CD1-O 3.33Å; L258-L596 HydrophobicContact CD2-CD2 4.11Å; L258-L596 HydrophobicContact CG-CD2 3.97Å; T594-L596 PolarHBondContact O-N 3.23Å; T594-L596 PolarHBondContact OG1-N 3.46Å; L596-R598 VanDerWaalsContact C-N 3.33Å; L596-A599 PolarHBondContact O-N 2.76Å; L596-Y600 VanDerWaalsContact O-CB 3.31Å; L596-Y600 WeakPolarHBondContact O-CB 3.2Å; L596-Y600 PolarHBondContact O-N 3.01Å
597	D	93.7	Very high	92.2	Very high	3 Å²	3	69 Å²	69	2%	0.016	35%	0.346	C	S	.	.	H	α-helix	trans	-63.4	-41.5	173.8	-61.9	-53.9	0	0	0	111.5	Y140 R180 Q593 T594 Y600 Q601	Y140-D597 WeakPolarHBondContact CE2-OD1 3.41Å; Y140-D597 PolarHBondContact OH-OD1 3.44Å; R180-D597 IonicContact CZ-OD1 3.71Å; R180-D597 IonicContact NH1-OD1 3.06Å; R180-D597 PolarHBondContact NH1-OD1 3.48Å; R180-D597 IonicContact NH1-OD2 3.74Å; Q593-D597 HydrophobicContact CB-CB 4.44Å; T594-D597 VanDerWaalsContact CB-OD2 3.32Å; T594-D597 WeakPolarHBondContact CB-OD2 3.39Å; T594-D597 PolarHBondContact N-OD2 3.42Å; T594-D597 WeakPolarHBondContact O-CB 3.45Å; T594-D597 PolarHBondContact O-N 2.93Å; T594-D597 VanDerWaalsContact O-N 3.11Å; T594-D597 VanDerWaalsContact OG1-CG 3.27Å; T594-D597 PolarHBondContact OG1-N 3.37Å; T594-D597 PolarHBondContact OG1-OD2 3Å; D597-Y600 PolarHBondContact O-N 3.43Å; D597-Q601 WeakPolarHBondContact O-CG 3.38Å; D597-Q601 PolarHBondContact O-N 2.64Å
598	R	93.1	Very high	91.9	Very high	131 Å²	131	68 Å²	68	49%	0.494	34%	0.341	S	S	.	.	H	α-helix	trans	-65.8	-45.6	176.1	-66.1	-172.7	-73.6	165.3	-6.9	111.7	T594 D595 L596 Y600 Q601 E602	T594-R598 PolarHBondContact O-N 2.89Å; D595-R598 PolarHBondContact O-N 3.36Å; D595-R598 IonicContact OD1-CZ 2.76Å; D595-R598 IonicContact OD1-NE 3.33Å; D595-R598 IonicContact OD1-NH2 2.97Å; D595-R598 PolarHBondContact OD1-NH2 3.48Å; L596-R598 VanDerWaalsContact C-N 3.33Å; R598-Y600 VanDerWaalsContact C-N 3.27Å; R598-Y600 PolarHBondContact O-N 3.24Å; R598-Q601 PolarHBondContact O-N 3.11Å; R598-E602 WeakPolarHBondContact O-CG 3.41Å; R598-E602 PolarHBondContact O-N 2.68Å
599	A	93.3	Very high	91.7	Very high	5 Å²	5	71.2 Å²	71.2	4%	0.041	36%	0.359	C	S	.	.	H	α-helix	trans	-61.1	-36.1	175.3	0	0	0	0	0	112.6	N256 L258 D595 L596 S603	N256-A599 HydrophobicContact CB-CB 4.43Å; L258-A599 HydrophobicContact CD1-CB 4.01Å; L258-A599 HydrophobicContact CG-CB 4.41Å; D595-A599 WeakPolarHBondContact O-CB 3.45Å; D595-A599 PolarHBondContact O-N 3.27Å; L596-A599 PolarHBondContact O-N 2.76Å; A599-S603 PolarHBondContact O-N 2.66Å; A599-S603 VanDerWaalsContact O-N 3.11Å; A599-S603 PolarHBondContact O-OG 3.31Å
600	Y	93.8	Very high	91.6	Very high	33 Å²	33	71.2 Å²	71.2	13%	0.129	36%	0.358	C	S	.	.	H	α-helix	trans	-69.3	-43.3	175.6	179.4	-106.9	0	0	0	111.6	Y140 P142 E144 R581 L596 D597 R598 E602 S603 L604	Y140-Y600 HydrophobicContact CE1-CD1 4.29Å; Y140-Y600 AromaticContact CE1-CD2 3.99Å; Y140-Y600 HydrophobicContact CE1-CD2 3.99Å; Y140-Y600 AromaticContact CE1-CG 3.72Å; Y140-Y600 HydrophobicContact CE1-CG 3.72Å; P142-Y600 HydrophobicContact CB-CD1 3.97Å; P142-Y600 HydrophobicContact CB-CE1 3.41Å; P142-Y600 VanDerWaalsContact CB-CE1 3.41Å; P142-Y600 HydrophobicContact CB-CE2 4.14Å; P142-Y600 HydrophobicContact CG-CE1 4.09Å; P142-Y600 HydrophobicContact CG-CE2 4.03Å; E144-Y600 PolarHBondContact OE1-OH 3.01Å; R581-Y600 PolarHBondContact NH1-OH 2.92Å; R581-Y600 PolarHBondContact NH2-OH 3.32Å; R581-Y600 VanDerWaalsContact NH2-OH 3.12Å; L596-Y600 VanDerWaalsContact O-CB 3.31Å; L596-Y600 WeakPolarHBondContact O-CB 3.2Å; L596-Y600 PolarHBondContact O-N 3.01Å; D597-Y600 PolarHBondContact O-N 3.43Å; R598-Y600 VanDerWaalsContact C-N 3.27Å; R598-Y600 PolarHBondContact O-N 3.24Å; Y600-E602 VanDerWaalsContact C-N 3.32Å; Y600-E602 PolarHBondContact O-N 3.29Å; Y600-S603 WeakPolarHBondContact O-CB 3.36Å; Y600-S603 PolarHBondContact O-N 3.32Å; Y600-S603 VanDerWaalsContact O-N 3.1Å; Y600-L604 HydrophobicContact CD1-CD1 4.07Å; Y600-L604 HydrophobicContact CD1-CG 4.4Å; Y600-L604 HydrophobicContact CE1-CD1 3.56Å; Y600-L604 HydrophobicContact CE1-CD2 4.34Å; Y600-L604 HydrophobicContact CE1-CG 3.95Å; Y600-L604 PolarHBondContact O-N 2.98Å
601	Q	92.3	Very high	91.7	Very high	53 Å²	53	69.3 Å²	69.3	25%	0.248	35%	0.346	C	S	.	.	H	α-helix	trans	-59.2	-41.3	173.4	-76.4	179.7	-25.2	0	0	112.4	D597 R598 S603 L604 Q605	D597-Q601 WeakPolarHBondContact O-CG 3.38Å; D597-Q601 PolarHBondContact O-N 2.64Å; R598-Q601 PolarHBondContact O-N 3.11Å; Q601-S603 VanDerWaalsContact C-N 3.3Å; Q601-S603 PolarHBondContact O-N 2.94Å; Q601-L604 WeakPolarHBondContact O-CB 3.42Å; Q601-L604 PolarHBondContact O-N 3.1Å; Q601-Q605 WeakPolarHBondContact O-CG 3.43Å; Q601-Q605 PolarHBondContact O-N 3.44Å; Q601-Q605 VanDerWaalsContact O-N 3.08Å
602	E	92.2	Very high	91.6	Very high	115 Å²	115	62 Å²	62	54%	0.537	31%	0.314	S	S	.	.	H	α-helix	trans	-60.2	-41.2	173.7	-72.5	175.5	-174.5	0	0	111.5	R598 Y600 L604 Q605 T606	R598-E602 WeakPolarHBondContact O-CG 3.41Å; R598-E602 PolarHBondContact O-N 2.68Å; Y600-E602 VanDerWaalsContact C-N 3.32Å; Y600-E602 PolarHBondContact O-N 3.29Å; E602-L604 PolarHBondContact O-N 3.29Å; E602-Q605 WeakPolarHBondContact O-CB 3.49Å; E602-Q605 PolarHBondContact O-N 3.07Å; E602-T606 PolarHBondContact O-N 2.78Å
603	S	91.5	Very high	91.6	Very high	11 Å²	11	55.6 Å²	55.6	8%	0.077	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-35.8	177.9	-54.8	0	0	0	0	112.2	A599 Y600 Q601 Q605 T606 G607 D608	A599-S603 PolarHBondContact O-N 2.66Å; A599-S603 VanDerWaalsContact O-N 3.11Å; A599-S603 PolarHBondContact O-OG 3.31Å; Y600-S603 WeakPolarHBondContact O-CB 3.36Å; Y600-S603 PolarHBondContact O-N 3.32Å; Y600-S603 VanDerWaalsContact O-N 3.1Å; Q601-S603 VanDerWaalsContact C-N 3.3Å; Q601-S603 PolarHBondContact O-N 2.94Å; S603-Q605 VanDerWaalsContact C-N 3.34Å; S603-T606 PolarHBondContact O-N 3.33Å; S603-T606 PolarHBondContact O-OG1 2.8Å; S603-G607 PolarHBondContact O-N 3.35Å; S603-G607 VanDerWaalsContact O-N 3.1Å; S603-D608 PolarHBondContact O-N 3.49Å
604	L	90.3	Very high	91.6	Very high	77 Å²	77	55.9 Å²	55.9	40%	0.403	29%	0.293	S	S	.	.	H	α-helix	trans	-63.9	-38.2	172	-71.2	177.8	0	0	0	112.3	Y600 Q601 E602 T606 G607	Y600-L604 HydrophobicContact CD1-CD1 4.07Å; Y600-L604 HydrophobicContact CD1-CG 4.4Å; Y600-L604 HydrophobicContact CE1-CD1 3.56Å; Y600-L604 HydrophobicContact CE1-CD2 4.34Å; Y600-L604 HydrophobicContact CE1-CG 3.95Å; Y600-L604 PolarHBondContact O-N 2.98Å; Q601-L604 WeakPolarHBondContact O-CB 3.42Å; Q601-L604 PolarHBondContact O-N 3.1Å; E602-L604 PolarHBondContact O-N 3.29Å; L604-T606 VanDerWaalsContact C-N 3.34Å; L604-G607 PolarHBondContact O-N 2.95Å
605	Q	92.2	Very high	91.6	Very high	166 Å²	166	61.4 Å²	61.4	78%	0.776	31%	0.309	S	S	*	.	H	α-helix	trans	-67.3	-33.9	178.3	-70	174.7	15.9	0	0	112.5	Q601 E602 S603 G607	Q601-Q605 WeakPolarHBondContact O-CG 3.43Å; Q601-Q605 PolarHBondContact O-N 3.44Å; Q601-Q605 VanDerWaalsContact O-N 3.08Å; E602-Q605 WeakPolarHBondContact O-CB 3.49Å; E602-Q605 PolarHBondContact O-N 3.07Å; S603-Q605 VanDerWaalsContact C-N 3.34Å; Q605-G607 VanDerWaalsContact C-N 3.31Å
606	T	90.9	Very high	91.6	Very high	87 Å²	87	63.9 Å²	63.9	53%	0.534	32%	0.316	S	S	.	.	H	α-helix	trans	-79	-17.2	174.6	64.8	0	0	0	0	112.9	E602 S603 L604 D608	E602-T606 PolarHBondContact O-N 2.78Å; S603-T606 PolarHBondContact O-N 3.33Å; S603-T606 PolarHBondContact O-OG1 2.8Å; L604-T606 VanDerWaalsContact C-N 3.34Å; T606-D608 WeakPolarHBondContact CB-OD2 3.43Å; T606-D608 PolarHBondContact OG1-N 2.74Å; T606-D608 PolarHBondContact OG1-OD2 2.79Å
607	G	89.2	Confident	91.6	Very high	64 Å²	64	62.9 Å²	62.9	66%	0.66	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	20	-175.1	0	0	0	0	0	113.2	S603 L604 Q605	S603-G607 PolarHBondContact O-N 3.35Å; S603-G607 VanDerWaalsContact O-N 3.1Å; L604-G607 PolarHBondContact O-N 2.95Å; Q605-G607 VanDerWaalsContact C-N 3.31Å
608	D	87.5	Confident	91.6	Very high	35 Å²	35	63.9 Å²	63.9	19%	0.187	32%	0.323	C	S	.	.			trans	-89.2	124.7	-178.8	-69.9	-42.9	0	0	0	111.3	S603 T606 A612 K616	S603-D608 PolarHBondContact O-N 3.49Å; T606-D608 WeakPolarHBondContact CB-OD2 3.43Å; T606-D608 PolarHBondContact OG1-N 2.74Å; T606-D608 PolarHBondContact OG1-OD2 2.79Å; D608-A612 HydrophobicContact CB-CB 4.28Å; D608-K616 WeakPolarHBondContact OD1-CE 3.47Å; D608-K616 IonicContact OD1-NZ 3.61Å; D608-K616 PolarHBondContact OD1-NZ 2.81Å; D608-K616 IonicContact OD2-NZ 3.49Å; D608-K616 PolarHBondContact OD2-NZ 3.24Å
609	D	88.8	Confident	91.5	Very high	89 Å²	89	60.6 Å²	60.6	48%	0.476	32%	0.324	S	S	.	.			trans	-81	174.1	163.4	66.4	40.5	0	0	0	111.5	Y611 A612 T613	D609-Y611 VanDerWaalsContact C-N 3.27Å; D609-Y611 PolarHBondContact O-N 3.41Å; D609-Y611 WeakPolarHBondContact OD1-CA 3.39Å; D609-Y611 PolarHBondContact OD1-N 3.36Å; D609-A612 PolarHBondContact O-N 3.28Å; D609-A612 WeakPolarHBondContact OD1-CB 3.32Å; D609-A612 PolarHBondContact OD1-N 3.12Å; D609-T613 WeakPolarHBondContact O-CB 3.23Å; D609-T613 PolarHBondContact O-N 3.22Å; D609-T613 PolarHBondContact O-OG1 3.28Å
610	K	91.4	Very high	91.3	Very high	23 Å²	23	63 Å²	63	10%	0.1	35%	0.349	C	S	.	.	H	α-helix	trans	-48.1	-47.5	175.7	176.1	179.5	-175.3	166.6	0	112.7	Q220 D221 L222 D223 Y225 T613 L614	Q220-K610 PolarHBondContact O-NZ 3.24Å; D221-K610 WeakPolarHBondContact O-CB 3.48Å; D221-K610 WeakPolarHBondContact O-CD 3.25Å; L222-K610 PolarHBondContact O-NZ 3.16Å; D223-K610 WeakPolarHBondContact OD1-CA 3.42Å; Y225-K610 PolarHBondContact O-NZ 3.04Å; K610-T613 PolarHBondContact O-N 2.62Å; K610-L614 HydrophobicContact CG-CD1 4.17Å; K610-L614 WeakPolarHBondContact O-CB 3.43Å; K610-L614 VanDerWaalsContact O-CG 3.26Å; K610-L614 WeakPolarHBondContact O-CG 3.48Å; K610-L614 PolarHBondContact O-N 2.6Å
611	Y	90.8	Very high	91.2	Very high	74 Å²	74	64.7 Å²	64.7	29%	0.29	37%	0.366	S	S	.	.	H	α-helix	trans	-76.1	-34.6	-174.6	-57.1	-75.1	0	0	0	112.4	D221 L247 D609 L614 R615	D221-Y611 WeakPolarHBondContact OD1-CE2 3.5Å; D221-Y611 PolarHBondContact OD1-OH 3.01Å; L247-Y611 HydrophobicContact CD1-CD1 4.49Å; L247-Y611 HydrophobicContact CD1-CE1 4.26Å; D609-Y611 VanDerWaalsContact C-N 3.27Å; D609-Y611 PolarHBondContact O-N 3.41Å; D609-Y611 WeakPolarHBondContact OD1-CA 3.39Å; D609-Y611 PolarHBondContact OD1-N 3.36Å; Y611-L614 PolarHBondContact O-N 2.86Å; Y611-R615 WeakPolarHBondContact O-CB 3.18Å; Y611-R615 WeakPolarHBondContact O-CG 3.32Å; Y611-R615 PolarHBondContact O-N 3.44Å
612	A	91.4	Very high	91.1	Very high	15 Å²	15	63.4 Å²	63.4	12%	0.124	36%	0.362	C	S	.	.	H	α-helix	trans	-63.3	-44.9	171.2	0	0	0	0	0	110.5	D608 D609 R615 K616	D608-A612 HydrophobicContact CB-CB 4.28Å; D609-A612 PolarHBondContact O-N 3.28Å; D609-A612 WeakPolarHBondContact OD1-CB 3.32Å; D609-A612 PolarHBondContact OD1-N 3.12Å; A612-R615 PolarHBondContact O-N 3.12Å; A612-K616 WeakPolarHBondContact O-CG 3.4Å; A612-K616 PolarHBondContact O-N 3.31Å
613	T	91.9	Very high	91	Very high	9 Å²	9	63.5 Å²	63.5	6%	0.055	36%	0.36	C	S	.	.	H	α-helix	trans	-62	-43.9	175.9	-58.5	0	0	0	0	111.8	T259 P260 D609 K610 K616 S617	T259-T613 HydrophobicContact CG2-CG2 3.63Å; P260-T613 HydrophobicContact CG-CG2 4.15Å; D609-T613 WeakPolarHBondContact O-CB 3.23Å; D609-T613 PolarHBondContact O-N 3.22Å; D609-T613 PolarHBondContact O-OG1 3.28Å; K610-T613 PolarHBondContact O-N 2.62Å; T613-K616 PolarHBondContact O-N 3.43Å; T613-S617 WeakPolarHBondContact O-CB 3.43Å; T613-S617 PolarHBondContact O-N 3.02Å; T613-S617 PolarHBondContact O-OG 3.18Å
614	L	91	Very high	91	Very high	34 Å²	34	65.7 Å²	65.7	18%	0.178	38%	0.376	C	S	.	.	H	α-helix	trans	-63.7	-40.1	174.8	-72.8	171.4	0	0	0	112.4	L247 N250 P260 K610 Y611 S617 G618	L247-L614 HydrophobicContact CD1-CD1 3.7Å; N250-L614 WeakPolarHBondContact ND2-CD2 3.19Å; P260-L614 HydrophobicContact CG-CD2 4.12Å; K610-L614 HydrophobicContact CG-CD1 4.17Å; K610-L614 WeakPolarHBondContact O-CB 3.43Å; K610-L614 VanDerWaalsContact O-CG 3.26Å; K610-L614 WeakPolarHBondContact O-CG 3.48Å; K610-L614 PolarHBondContact O-N 2.6Å; Y611-L614 PolarHBondContact O-N 2.86Å; L614-S617 WeakPolarHBondContact CA-OG 3.4Å; L614-S617 PolarHBondContact O-OG 3.06Å; L614-G618 PolarHBondContact O-N 3.18Å
615	R	91.3	Very high	91.2	Very high	162 Å²	162	62.4 Å²	62.4	61%	0.611	36%	0.358	S	S	*	.	H	α-helix	trans	-63.3	-42.2	174.1	-75.9	-173.8	-61.2	-93.2	1.2	111.8	Y611 A612 A619	Y611-R615 WeakPolarHBondContact O-CB 3.18Å; Y611-R615 WeakPolarHBondContact O-CG 3.32Å; Y611-R615 PolarHBondContact O-N 3.44Å; A612-R615 PolarHBondContact O-N 3.12Å; R615-A619 PolarHBondContact O-N 2.69Å; R615-A619 VanDerWaalsContact O-N 3.1Å
616	K	93.7	Very high	91.2	Very high	123 Å²	123	54.9 Å²	54.9	54%	0.535	32%	0.323	S	S	.	.	H	α-helix	trans	-65.7	-47.3	178.7	-74.7	178.8	177.1	-176.8	0	112.1	D608 A612 T613 G618 A619	D608-K616 WeakPolarHBondContact OD1-CE 3.47Å; D608-K616 IonicContact OD1-NZ 3.61Å; D608-K616 PolarHBondContact OD1-NZ 2.81Å; D608-K616 IonicContact OD2-NZ 3.49Å; D608-K616 PolarHBondContact OD2-NZ 3.24Å; A612-K616 WeakPolarHBondContact O-CG 3.4Å; A612-K616 PolarHBondContact O-N 3.31Å; T613-K616 PolarHBondContact O-N 3.43Å; K616-G618 VanDerWaalsContact C-N 3.33Å; K616-G618 PolarHBondContact O-N 3.47Å; K616-A619 VanDerWaalsContact O-CB 3.29Å; K616-A619 WeakPolarHBondContact O-CB 3.12Å; K616-A619 PolarHBondContact O-N 2.67Å
617	S	93.8	Very high	91.2	Very high	12 Å²	12	53.7 Å²	53.7	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-72.9	-22.5	179.3	55.3	0	0	0	0	114	P260 S263 T613 L614 R625	P260-S617 WeakPolarHBondContact O-CB 3.47Å; S263-S617 PolarHBondContact N-O 3.1Å; S263-S617 PolarHBondContact OG-OG 2.91Å; T613-S617 WeakPolarHBondContact O-CB 3.43Å; T613-S617 PolarHBondContact O-N 3.02Å; T613-S617 PolarHBondContact O-OG 3.18Å; L614-S617 WeakPolarHBondContact CA-OG 3.4Å; L614-S617 PolarHBondContact O-OG 3.06Å; S617-R625 VanDerWaalsContact O-CD 3.31Å; S617-R625 WeakPolarHBondContact O-CD 3.45Å
618	G	92.6	Very high	91.4	Very high	24 Å²	24	54.6 Å²	54.6	25%	0.247	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-8.5	170.7	0	0	0	0	0	114.5	L614 K616 R625	L614-G618 PolarHBondContact O-N 3.18Å; K616-G618 VanDerWaalsContact C-N 3.33Å; K616-G618 PolarHBondContact O-N 3.47Å; G618-R625 PolarHBondContact O-NE 2.85Å; G618-R625 VanDerWaalsContact O-NE 3.15Å
619	A	90.9	Very high	91.7	Very high	61 Å²	61	52.9 Å²	52.9	50%	0.504	30%	0.302	S	S	.	.			trans	-68.7	153.4	-177	0	0	0	0	0	112.6	R615 K616	R615-A619 PolarHBondContact O-N 2.69Å; R615-A619 VanDerWaalsContact O-N 3.1Å; K616-A619 VanDerWaalsContact O-CB 3.29Å; K616-A619 WeakPolarHBondContact O-CB 3.12Å; K616-A619 PolarHBondContact O-N 2.67Å
620	G	90.2	Very high	91.8	Very high	56 Å²	56	50.3 Å²	50.3	58%	0.577	29%	0.288	S	S	*	.	S	Bend	trans	82.2	174.9	-178.8	0	0	0	0	0	114.1	R625	G620-R625 PolarHBondContact O-NE 3.24Å
621	S	91	Very high	91.9	Very high	69 Å²	69	51.1 Å²	51.1	48%	0.483	30%	0.304	S	S	.	.			trans	-62.4	152	-179.6	71.2	0	0	0	0	112.2	K623 S624 R625	S621-K623 PolarHBondContact O-N 2.92Å; S621-S624 PolarHBondContact N-OG 3.39Å; S621-S624 VanDerWaalsContact N-OG 3.07Å; S621-S624 PolarHBondContact O-N 3.3Å; S621-S624 VanDerWaalsContact O-N 3.08Å; S621-S624 PolarHBondContact O-OG 2.91Å; S621-S624 WeakPolarHBondContact OG-CB 3.44Å; S621-S624 PolarHBondContact OG-N 3.18Å; S621-S624 PolarHBondContact OG-OG 3.17Å; S621-R625 PolarHBondContact O-N 3.41Å; S621-R625 VanDerWaalsContact O-N 3.13Å
622	T	90.4	Very high	91.9	Very high	25 Å²	25	49.9 Å²	49.9	15%	0.153	30%	0.302	C	S	.	.	H	α-helix	trans	-54.4	-40.5	171.9	-51.9	0	0	0	0	111.6	F264 T283 S624 R625 I626	F264-T622 HydrophobicContact CD1-CG2 4.46Å; F264-T622 HydrophobicContact CE1-CG2 4.34Å; T283-T622 HydrophobicContact CG2-CG2 3.63Å; T283-T622 WeakPolarHBondContact OG1-CG2 3.27Å; T622-S624 PolarHBondContact O-N 3.44Å; T622-R625 PolarHBondContact O-N 2.85Å; T622-I626 HydrophobicContact CG2-CD1 3.92Å; T622-I626 HydrophobicContact CG2-CG1 4.47Å; T622-I626 VanDerWaalsContact O-CG1 3.29Å; T622-I626 WeakPolarHBondContact O-CG1 3.48Å; T622-I626 PolarHBondContact O-N 3.21Å
623	K	89.9	Confident	91.9	Very high	117 Å²	117	51.7 Å²	51.7	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-58.6	-43.4	175.9	-176.5	-177.8	176.8	-175.5	0	112.9	S621 I626 A627	S621-K623 PolarHBondContact O-N 2.92Å; K623-I626 PolarHBondContact O-N 2.85Å; K623-A627 WeakPolarHBondContact O-CB 2.91Å; K623-A627 PolarHBondContact O-N 2.81Å
624	S	92.2	Very high	91.9	Very high	58 Å²	58	53.9 Å²	53.9	41%	0.406	32%	0.324	S	S	.	.	H	α-helix	trans	-68.4	-37	178.8	48.9	0	0	0	0	112.2	S621 T622 A627 L628	S621-S624 PolarHBondContact N-OG 3.39Å; S621-S624 VanDerWaalsContact N-OG 3.07Å; S621-S624 PolarHBondContact O-N 3.3Å; S621-S624 VanDerWaalsContact O-N 3.08Å; S621-S624 PolarHBondContact O-OG 2.91Å; S621-S624 WeakPolarHBondContact OG-CB 3.44Å; S621-S624 PolarHBondContact OG-N 3.18Å; S621-S624 PolarHBondContact OG-OG 3.17Å; T622-S624 PolarHBondContact O-N 3.44Å; S624-A627 PolarHBondContact O-N 3.15Å; S624-L628 PolarHBondContact O-N 2.79Å
625	R	93.8	Very high	92	Very high	8 Å²	8	55 Å²	55	3%	0.03	33%	0.332	C	S	.	.	H	α-helix	trans	-69.3	-37.6	175.3	-74.9	-178.7	-80.2	124.1	-5.8	112.6	S263 F264 E268 S617 G618 G620 S621 T622 A627 L628 F629	S263-R625 WeakPolarHBondContact O-CD 3.3Å; S263-R625 PolarHBondContact O-NH1 3.19Å; F264-R625 HydrophobicContact CE1-CB 4.01Å; F264-R625 HydrophobicContact CZ-CB 4.11Å; E268-R625 IonicContact OE1-CZ 3.03Å; E268-R625 IonicContact OE1-NH1 3.66Å; E268-R625 IonicContact OE1-NH2 2.76Å; E268-R625 PolarHBondContact OE1-NH2 3.18Å; E268-R625 IonicContact OE2-CZ 3.27Å; E268-R625 VanDerWaalsContact OE2-CZ 3.23Å; E268-R625 IonicContact OE2-NH1 2.77Å; E268-R625 PolarHBondContact OE2-NH1 3.23Å; E268-R625 IonicContact OE2-NH2 3.86Å; E268-R625 PolarHBondContact OE2-NH2 3.16Å; S617-R625 VanDerWaalsContact O-CD 3.31Å; S617-R625 WeakPolarHBondContact O-CD 3.45Å; G618-R625 PolarHBondContact O-NE 2.85Å; G618-R625 VanDerWaalsContact O-NE 3.15Å; G620-R625 PolarHBondContact O-NE 3.24Å; S621-R625 PolarHBondContact O-N 3.41Å; S621-R625 VanDerWaalsContact O-N 3.13Å; T622-R625 PolarHBondContact O-N 2.85Å; R625-A627 VanDerWaalsContact C-N 3.35Å; R625-L628 PolarHBondContact O-N 2.94Å; R625-F629 WeakPolarHBondContact O-CB 3.24Å; R625-F629 PolarHBondContact O-N 2.69Å
626	I	92.6	Very high	92	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-62.7	-43.3	171.1	-68.1	168.6	0	0	0	110.6	F264 N289 V292 T622 K623 L628 F629 D630	F264-I626 HydrophobicContact CE1-CG1 3.99Å; F264-I626 HydrophobicContact CZ-CG1 4.2Å; N289-I626 WeakPolarHBondContact O-CD1 3.42Å; V292-I626 HydrophobicContact CG2-CD1 4.22Å; V292-I626 HydrophobicContact CG2-CG1 3.71Å; T622-I626 HydrophobicContact CG2-CD1 3.92Å; T622-I626 HydrophobicContact CG2-CG1 4.47Å; T622-I626 VanDerWaalsContact O-CG1 3.29Å; T622-I626 WeakPolarHBondContact O-CG1 3.48Å; T622-I626 PolarHBondContact O-N 3.21Å; K623-I626 PolarHBondContact O-N 2.85Å; I626-L628 VanDerWaalsContact C-N 3.33Å; I626-L628 PolarHBondContact O-N 3.5Å; I626-F629 WeakPolarHBondContact O-CB 3.49Å; I626-F629 PolarHBondContact O-N 3.02Å; I626-D630 PolarHBondContact O-N 2.91Å
627	A	91.9	Very high	91.9	Very high	62 Å²	62	44.1 Å²	44.1	51%	0.512	30%	0.302	S	S	.	.	H	α-helix	trans	-64.8	-36.9	177.1	0	0	0	0	0	112.5	K623 S624 R625 G631	K623-A627 WeakPolarHBondContact O-CB 2.91Å; K623-A627 PolarHBondContact O-N 2.81Å; S624-A627 PolarHBondContact O-N 3.15Å; R625-A627 VanDerWaalsContact C-N 3.35Å; A627-G631 PolarHBondContact O-N 3.3Å
628	L	92.7	Very high	91.8	Very high	82 Å²	82	46.2 Å²	46.2	43%	0.429	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-48.4	172.6	-178.4	64	0	0	0	110.6	K261 S624 R625 I626 G631 L632	K261-L628 WeakPolarHBondContact O-CD2 3.46Å; S624-L628 PolarHBondContact O-N 2.79Å; R625-L628 PolarHBondContact O-N 2.94Å; I626-L628 VanDerWaalsContact C-N 3.33Å; I626-L628 PolarHBondContact O-N 3.5Å; L628-G631 WeakPolarHBondContact O-CA 3.47Å; L628-G631 PolarHBondContact O-N 3.11Å; L628-L632 WeakPolarHBondContact O-CG 3.47Å; L628-L632 PolarHBondContact O-N 3.34Å
629	F	93.7	Very high	91.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-58.5	-47.3	176.8	167.1	-107.9	0	0	0	113.6	I232 N234 L240 V251 V292 F294 R625 I626 G631	I232-F629 HydrophobicContact CD1-CE2 4.01Å; I232-F629 HydrophobicContact CD1-CZ 4.27Å; N234-F629 HydrophobicContact CB-CE1 3.82Å; N234-F629 HydrophobicContact CB-CE2 3.87Å; N234-F629 HydrophobicContact CB-CZ 3.42Å; N234-F629 VanDerWaalsContact CB-CZ 3.42Å; N234-F629 PolarHBondContact ND2-O 3.47Å; L240-F629 HydrophobicContact CD1-CD2 4.07Å; L240-F629 HydrophobicContact CD1-CE2 3.64Å; V251-F629 HydrophobicContact CB-CD2 4.16Å; V251-F629 HydrophobicContact CG1-CD2 3.68Å; V251-F629 HydrophobicContact CG1-CE2 3.85Å; V251-F629 HydrophobicContact CG2-CD2 3.86Å; V251-F629 HydrophobicContact CG2-CE2 4.13Å; V292-F629 HydrophobicContact CG1-CD1 3.8Å; V292-F629 HydrophobicContact CG1-CE1 3.78Å; V292-F629 HydrophobicContact CG1-CG 4.43Å; V292-F629 HydrophobicContact CG1-CZ 4.4Å; F294-F629 HydrophobicContact CB-CZ 4.01Å; R625-F629 WeakPolarHBondContact O-CB 3.24Å; R625-F629 PolarHBondContact O-N 2.69Å; I626-F629 WeakPolarHBondContact O-CB 3.49Å; I626-F629 PolarHBondContact O-N 3.02Å; F629-G631 PolarHBondContact O-N 3.45Å
630	D	91.6	Very high	91.8	Very high	34 Å²	34	46.8 Å²	46.8	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-69.1	-16	175.5	-80.2	-15.6	0	0	0	111.9	K235 K236 I626	K235-D630 IonicContact NZ-OD1 3.99Å; K235-D630 IonicContact NZ-OD2 3.92Å; K235-D630 PolarHBondContact NZ-OD2 2.83Å; K236-D630 WeakPolarHBondContact CD-O 3.09Å; K236-D630 WeakPolarHBondContact CE-O 3.46Å; I626-D630 PolarHBondContact O-N 2.91Å
631	G	92.1	Very high	91.9	Very high	41 Å²	41	46 Å²	46	42%	0.423	29%	0.285	S	S	.	.	H	α-helix	trans	-84.2	-34.5	-179	0	0	0	0	0	114.2	K236 A627 L628 F629	K236-G631 PolarHBondContact NZ-O 2.98Å; A627-G631 PolarHBondContact O-N 3.3Å; L628-G631 WeakPolarHBondContact O-CA 3.47Å; L628-G631 PolarHBondContact O-N 3.11Å; F629-G631 PolarHBondContact O-N 3.45Å
632	L	91.1	Very high	92	Very high	48 Å²	48	43.9 Å²	43.9	25%	0.251	27%	0.267	S	S	.	.			trans	-56.5	0	168.9	-61.3	174.2	0	0	0	111	N234 S238 L240 K261 L628	N234-L632 PolarHBondContact ND2-OXT 2.67Å; S238-L632 VanDerWaalsContact CB-O 3.29Å; S238-L632 WeakPolarHBondContact CB-O 3.33Å; S238-L632 PolarHBondContact OG-O 3.25Å; S238-L632 PolarHBondContact OG-OXT 3.22Å; S238-L632 VanDerWaalsContact OG-OXT 3.07Å; L240-L632 HydrophobicContact CD1-CB 4.24Å; L240-L632 HydrophobicContact CD1-CD1 4.36Å; L240-L632 HydrophobicContact CD2-CB 4.18Å; L240-L632 HydrophobicContact CD2-CD1 4.13Å; K261-L632 HydrophobicContact CB-CD1 3.94Å; K261-L632 HydrophobicContact CG-CD1 4.18Å; K261-L632 HydrophobicContact CG-CD2 4.38Å; L628-L632 WeakPolarHBondContact O-CG 3.47Å; L628-L632 PolarHBondContact O-N 3.34Å

Retrieved 632 of 632 residues in 189 ms (Link to these results)

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