A0A096NQK7_PAPAN Loading...

Target of EGR1 protein 1

Inhibits cell growth rate and cell cycle. Induces CDKN1A expression as well as TGF-beta expression. Mediates the inhibitory growth effect of EGR1. Involved in the maturation of snRNAs and snRNA 3'-tail processing.

AlphaFold DB (A0A2K6BXQ5), UniProt , Accession A0A096NQK7, Species PAPAN (Papio anubis, Olive baboon), Gene TOE1, Length 509 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	30.7	Very low	239 Å²	239	129.9 Å²	129.9	100%	1.177	82%	0.818	S	S	*	*				0	113.9	0	-54.9	174.9	-172.7	0	0	104.5
2	A	30.6	Very low	30.5	Very low	103 Å²	103	127.1 Å²	127.1	85%	0.851	82%	0.816	S	S	*	*				61.7	125.9	57.3	0	0	0	0	0	110.6
3	A	30.9	Very low	30.5	Very low	87 Å²	87	126.8 Å²	126.8	72%	0.719	81%	0.814	S	S	*	*			cis	-129.3	159.2	11.4	0	0	0	0	0	110.3
4	Y	31.6	Very low	30.4	Very low	224 Å²	224	124.7 Å²	124.7	88%	0.878	81%	0.814	S	S	*	*				40.1	123.6	77.3	-79.9	-78.6	0	0	0	113
5	S	33.6	Very low	30.2	Very low	89 Å²	89	123.7 Å²	123.7	62%	0.622	82%	0.82	S	S	*	*			cis	-151.4	-153.2	1.1	-35.3	0	0	0	0	108.6
6	D	31.9	Very low	30.2	Very low	149 Å²	149	123.1 Å²	123.1	80%	0.797	82%	0.818	S	S	*	*			cis	-168.1	164.6	-11.2	-101.8	-32.4	0	0	0	103.5
7	D	30.8	Very low	30.5	Very low	159 Å²	159	125.5 Å²	125.5	85%	0.85	82%	0.822	S	S	*	*			cis	-164.7	172.9	-20.3	172.8	42.2	0	0	0	106.2
8	G	26.5	Very low	30.2	Very low	57 Å²	57	122.3 Å²	122.3	59%	0.588	82%	0.815	S	S	*	*			trans	136.1	102.1	154.1	0	0	0	0	0	118.9
9	A	28.3	Very low	30	Very low	103 Å²	103	119.7 Å²	119.7	85%	0.851	81%	0.812	S	S	*	*			trans	65.3	130.9	140.8	0	0	0	0	0	123.6
10	A	28.8	Very low	30.1	Very low	101 Å²	101	119.9 Å²	119.9	84%	0.835	81%	0.808	S	S	*	*			trans	69.9	114.1	141	0	0	0	0	0	121.1
11	S	29.9	Very low	30	Very low	118 Å²	118	119.9 Å²	119.9	83%	0.825	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-69.5	128.7	163.1	53	0	0	0	0	112.7
12	A	29.1	Very low	30	Very low	96 Å²	96	116.5 Å²	116.5	79%	0.793	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-77	139.8	169.1	0	0	0	0	0	111.7
13	P	29.8	Very low	29.7	Very low	123 Å²	123	116.8 Å²	116.8	80%	0.799	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-81.3	169.8	179.9	34.3	-36.3	0	0	0	113
14	A	28.7	Very low	29.5	Very low	98 Å²	98	118.6 Å²	118.6	81%	0.81	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-62	140	176.8	0	0	0	0	0	112.6	S16	A14-S16 PolarHBondContact O-N 3.38Å
15	A	28.5	Very low	29.2	Very low	109 Å²	109	112.1 Å²	112.1	90%	0.901	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-68.8	122	172.4	0	0	0	0	0	110.2
16	S	29.6	Very low	29.2	Very low	114 Å²	114	114 Å²	114	80%	0.797	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-82	155.7	-178.7	58.6	0	0	0	0	113	A14	A14-S16 PolarHBondContact O-N 3.38Å
17	D	34.8	Very low	29.2	Very low	165 Å²	165	110.9 Å²	110.9	88%	0.882	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-46	148.5	166.9	-175.5	25.7	0	0	0	113.5
18	G	26.1	Very low	29.4	Very low	68 Å²	68	110.3 Å²	110.3	70%	0.701	78%	0.779	S	S	*	*			trans	-177.4	133.3	-179.2	0	0	0	0	0	112.4
19	G	26.2	Very low	30.1	Very low	72 Å²	72	115.2 Å²	115.2	74%	0.742	79%	0.786	S	S	*	*			cis	174.8	148.5	-3.8	0	0	0	0	0	110.7	S21	G19-S21 PolarHBondContact O-N 3.23Å
20	V	32.6	Very low	31	Very low	123 Å²	123	118.3 Å²	118.3	75%	0.745	79%	0.787	S	S	*	*			trans	-60.4	129.8	-177.9	-179.1	0	0	0	0	110.6	K22	V20-K22 VanDerWaalsContact C-N 3.27Å; V20-K22 HydrophobicContact CB-CG 4.28Å; V20-K22 HydrophobicContact CG1-CG 3.95Å; V20-K22 PolarHBondContact O-N 3.42Å
21	S	26.9	Very low	32.4	Very low	121 Å²	121	116.8 Å²	116.8	85%	0.846	77%	0.768	S	S	*	*			trans	-65.2	78.9	174.3	171.6	0	0	0	0	111.9	G19 S23	G19-S21 PolarHBondContact O-N 3.23Å; S21-S23 PolarHBondContact O-N 3.34Å
22	K	34	Very low	34.5	Very low	168 Å²	168	114.4 Å²	114.4	73%	0.73	75%	0.748	S	S	*	*			trans	-93.1	83.3	177.2	-67.7	-174.1	178.5	-178.6	0	111.4	V20 T24	V20-K22 VanDerWaalsContact C-N 3.27Å; V20-K22 HydrophobicContact CB-CG 4.28Å; V20-K22 HydrophobicContact CG1-CG 3.95Å; V20-K22 PolarHBondContact O-N 3.42Å; K22-T24 PolarHBondContact O-N 2.79Å; K22-T24 PolarHBondContact O-OG1 2.66Å
23	S	24.6	Very low	37.2	Very low	108 Å²	108	116.2 Å²	116.2	76%	0.755	74%	0.735	S	S	*	*			trans	-60.5	131.1	155.1	-172.3	0	0	0	0	108	S21	S21-S23 PolarHBondContact O-N 3.34Å
24	T	27	Very low	40.2	Very low	126 Å²	126	110.4 Å²	110.4	77%	0.773	70%	0.697	S	S	*	*			trans	-124.4	80.9	-173.3	-50.8	0	0	0	0	110.3	K22	K22-T24 PolarHBondContact O-N 2.79Å; K22-T24 PolarHBondContact O-OG1 2.66Å
25	T	26.6	Very low	43.4	Very low	88 Å²	88	105.9 Å²	105.9	54%	0.54	66%	0.659	S	S	.	*			trans	-99.9	125.4	166.5	28	0	0	0	0	109	G27 E28	T25-G27 PolarHBondContact O-N 2.67Å; T25-E28 PolarHBondContact OG1-OE2 2.66Å
26	S	33.1	Very low	46.6	Very low	129 Å²	129	100.8 Å²	100.8	90%	0.902	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	112.3	-171.1	55.6	0	0	0	0	112.1
27	G	32.3	Very low	49.9	Very low	82 Å²	82	95.4 Å²	95.4	85%	0.845	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	125.6	-8.2	168.2	0	0	0	0	0	115.7	T25	T25-G27 PolarHBondContact O-N 2.67Å
28	E	34.5	Very low	52.8	Low	148 Å²	148	88.4 Å²	88.4	69%	0.692	54%	0.541	S	S	*	.			trans	-80.4	127.2	176.7	-66.9	176.2	123.6	0	0	110.8	T25	T25-E28 PolarHBondContact OG1-OE2 2.66Å
29	E	41.6	Very low	56.3	Low	159 Å²	159	85.1 Å²	85.1	74%	0.743	51%	0.508	S	S	*	.			trans	-66.6	134.2	172.9	-172.1	165.8	-137	0	0	109.5	V31	E29-V31 VanDerWaalsContact C-N 3.29Å; E29-V31 PolarHBondContact O-N 3.02Å
30	L	45.7	Very low	59.6	Low	168 Å²	168	82 Å²	82	88%	0.88	47%	0.474	S	S	*	.			trans	-72.5	81.9	-175.1	-83.9	166.7	0	0	0	111.2	V32	L30-V32 PolarHBondContact O-N 3.45Å
31	V	59.9	Low	62.7	Low	70 Å²	70	79 Å²	79	42%	0.424	46%	0.458	S	S	.	.			trans	-60.1	105.2	175.5	-173.2	0	0	0	0	109.4	E29 R33 C285 L287	E29-V31 VanDerWaalsContact C-N 3.29Å; E29-V31 PolarHBondContact O-N 3.02Å; V31-R33 PolarHBondContact O-N 3.08Å; V31-C285 HydrophobicContact CG1-CB 3.88Å; V31-L287 HydrophobicContact CG1-CD1 4.47Å; V31-L287 HydrophobicContact CG2-CD1 4.22Å
32	V	72.3	Confident	65.9	Low	68 Å²	68	77.5 Å²	77.5	41%	0.412	44%	0.441	S	S	.	.			trans	-64.4	124.3	173.3	179.4	0	0	0	0	108.4	L30 F270 C286	L30-V32 PolarHBondContact O-N 3.45Å; V32-F270 HydrophobicContact CG1-CE2 3.95Å; V32-F270 HydrophobicContact CG1-CZ 4.45Å; V32-C286 PolarHBondContact O-N 2.91Å
33	R	87.7	Confident	68.9	Low	134 Å²	134	69.7 Å²	69.7	51%	0.506	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112.7	175.7	-60.8	-171.7	69.7	-162.4	2.4	109.2	V31 P35 Y283 R284	V31-R33 PolarHBondContact O-N 3.08Å; R33-P35 WeakPolarHBondContact O-CD 3.32Å; R33-Y283 HydrophobicContact CB-CD1 4.48Å; R33-Y283 PolarHBondContact NE-O 3.17Å; R33-Y283 PolarHBondContact NH2-O 3.36Å; R33-R284 CarbonylContact C-O 3.58Å; R33-R284 VanDerWaalsContact CA-O 3.3Å; R33-R284 WeakPolarHBondContact CA-O 3.37Å
34	V	92.1	Very high	72.3	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	115.3	178.6	-177.1	0	0	0	0	108.4	V36 V120 F270 R284 F441 F444	V34-V36 HydrophobicContact CG1-CG2 4.38Å; V34-V36 PolarHBondContact O-N 2.95Å; V34-V120 HydrophobicContact CG1-CG2 4.02Å; V34-F270 HydrophobicContact CB-CE1 4.44Å; V34-F270 HydrophobicContact CB-CZ 4.36Å; V34-F270 HydrophobicContact CG1-CE1 3.92Å; V34-F270 HydrophobicContact CG1-CZ 4.29Å; V34-F270 HydrophobicContact CG2-CE1 4.41Å; V34-F270 HydrophobicContact CG2-CZ 3.95Å; V34-R284 PolarHBondContact N-O 3.43Å; V34-R284 PolarHBondContact O-N 3.24Å; V34-F441 HydrophobicContact CB-CD2 4.33Å; V34-F441 HydrophobicContact CB-CE2 3.98Å; V34-F441 HydrophobicContact CG1-CD2 4.37Å; V34-F441 HydrophobicContact CG1-CE2 4.4Å; V34-F441 HydrophobicContact CG2-CE2 3.91Å; V34-F444 HydrophobicContact CG1-CB 4.49Å; V34-F444 HydrophobicContact CG1-CD1 4.07Å; V34-F444 HydrophobicContact CG1-CD2 3.9Å; V34-F444 HydrophobicContact CG1-CE1 4.32Å; V34-F444 HydrophobicContact CG1-CE2 4.13Å; V34-F444 HydrophobicContact CG1-CG 3.87Å; V34-F444 HydrophobicContact CG1-CZ 4.34Å; V34-F444 HydrophobicContact CG2-CD1 3.97Å; V34-F444 HydrophobicContact CG2-CE1 3.49Å; V34-F444 VanDerWaalsContact CG2-CE1 3.49Å; V34-F444 HydrophobicContact CG2-CE2 4.2Å; V34-F444 HydrophobicContact CG2-CZ 3.61Å
35	P	95.4	Very high	75.6	Confident	4 Å²	4	66.8 Å²	66.8	3%	0.026	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	113.1	171.2	30	-31	0	0	0	109.9	R33 F270 Y273 I281 Y283	R33-P35 WeakPolarHBondContact O-CD 3.32Å; P35-F270 HydrophobicContact CG-CB 3.7Å; P35-F270 HydrophobicContact CG-CD1 4.09Å; P35-F270 HydrophobicContact CG-CG 3.98Å; P35-Y273 HydrophobicContact CB-CD2 4.21Å; P35-Y273 HydrophobicContact CB-CE2 3.73Å; P35-Y273 HydrophobicContact CG-CD2 4.49Å; P35-Y273 HydrophobicContact CG-CE2 3.78Å; P35-I281 HydrophobicContact CB-CG2 3.51Å; P35-Y283 HydrophobicContact CB-CD1 4.03Å; P35-Y283 HydrophobicContact CB-CE1 3.81Å
36	V	96.3	Very high	78.8	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.012	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.7	170.1	-178	0	0	0	0	107.8	V34 D38 V120 N122 I281 D282 R284 F441	V34-V36 HydrophobicContact CG1-CG2 4.38Å; V34-V36 PolarHBondContact O-N 2.95Å; V36-D38 PolarHBondContact O-N 3.16Å; V36-V120 HydrophobicContact CB-CG1 4.46Å; V36-V120 HydrophobicContact CG1-CG1 4.25Å; V36-V120 HydrophobicContact CG2-CG1 3.99Å; V36-N122 HydrophobicContact CG1-CB 3.71Å; V36-I281 WeakPolarHBondContact O-CA 3.45Å; V36-D282 HydrophobicContact CB-CB 4.4Å; V36-D282 PolarHBondContact N-O 2.88Å; V36-D282 PolarHBondContact O-N 3.18Å; V36-R284 HydrophobicContact CG2-CG 4.19Å; V36-F441 HydrophobicContact CG2-CB 4.34Å; V36-F441 HydrophobicContact CG2-CD2 4.3Å
37	V	97.6	Very high	81.8	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	118.3	178.3	-172.6	0	0	0	0	109.4	V39 M47 V120 F121 N122 Y273 H280 I281	V37-V39 HydrophobicContact CG1-CG2 4.28Å; V37-M47 HydrophobicContact CG1-CE 3.74Å; V37-M47 HydrophobicContact CG1-SD 4.3Å; V37-V120 PolarHBondContact N-O 3.09Å; V37-F121 HydrophobicContact CB-CD1 3.86Å; V37-F121 HydrophobicContact CB-CE1 4.36Å; V37-F121 HydrophobicContact CG1-CD1 4.32Å; V37-F121 HydrophobicContact CG2-CD1 4.39Å; V37-F121 HydrophobicContact CG2-CE1 4.47Å; V37-F121 CarbonylContact O-C 3.51Å; V37-F121 VanDerWaalsContact O-CA 3.31Å; V37-F121 WeakPolarHBondContact O-CA 3.34Å; V37-N122 PolarHBondContact O-N 3.17Å; V37-Y273 HydrophobicContact CG2-CE1 3.93Å; V37-Y273 HydrophobicContact CG2-CE2 4.25Å; V37-Y273 WeakPolarHBondContact CG2-OH 3.49Å; V37-H280 CarbonylContact C-O 3.47Å; V37-H280 WeakPolarHBondContact CA-O 3.38Å; V37-I281 HydrophobicContact CG2-CG1 4.43Å
38	D	97.3	Very high	84.9	Confident	18 Å²	18	61 Å²	61	10%	0.096	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	117.3	179.3	-100.1	-49.2	0	0	0	111.1	V36 N43 N122 H280 R438	V36-D38 PolarHBondContact O-N 3.16Å; D38-N43 PolarHBondContact O-ND2 2.78Å; D38-N122 PolarHBondContact OD1-ND2 3.43Å; D38-N122 VanDerWaalsContact OD1-ND2 3.15Å; D38-H280 PolarHBondContact N-O 2.97Å; D38-R438 VanDerWaalsContact CG-NH2 3.32Å; D38-R438 IonicContact OD1-CZ 2.81Å; D38-R438 IonicContact OD1-NH1 2.97Å; D38-R438 IonicContact OD1-NH2 2.67Å; D38-R438 PolarHBondContact OD1-NH2 3.17Å; D38-R438 IonicContact OD2-CZ 2.7Å; D38-R438 IonicContact OD2-NH1 2.8Å; D38-R438 PolarHBondContact OD2-NH1 2.67Å; D38-R438 IonicContact OD2-NH2 3.27Å; D38-R438 PolarHBondContact OD2-NH2 2.83Å; D38-R438 VanDerWaalsContact OD2-NH2 3.16Å
39	V	97.9	Very high	87.8	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.2	-171.7	-168.7	0	0	0	0	110.2	V37 N43 F44 M47 L51 F121 N122 L123 T124 I156	V37-V39 HydrophobicContact CG1-CG2 4.28Å; V39-N43 WeakPolarHBondContact CA-OD1 3.3Å; V39-F44 HydrophobicContact CG1-CB 4.15Å; V39-F44 HydrophobicContact CG1-CD2 3.75Å; V39-F44 HydrophobicContact CG1-CG 4.45Å; V39-M47 HydrophobicContact CG1-CB 4.09Å; V39-M47 HydrophobicContact CG1-CG 4.32Å; V39-M47 HydrophobicContact CG2-CB 4.47Å; V39-M47 HydrophobicContact CG2-CG 4.36Å; V39-L51 HydrophobicContact CG1-CD1 4.38Å; V39-F121 HydrophobicContact CG2-CB 4.31Å; V39-F121 HydrophobicContact CG2-CD1 4.06Å; V39-N122 PolarHBondContact N-O 3.33Å; V39-L123 HydrophobicContact CB-CD1 4.13Å; V39-L123 HydrophobicContact CB-CG 3.99Å; V39-L123 HydrophobicContact CG1-CG 4.31Å; V39-L123 HydrophobicContact CG2-CD1 4.23Å; V39-L123 WeakPolarHBondContact O-CA 3.34Å; V39-T124 PolarHBondContact O-N 3.34Å; V39-I156 HydrophobicContact CG1-CD1 4.23Å
40	Q	96.8	Very high	90.5	Very high	5 Å²	5	52.8 Å²	52.8	2%	0.023	27%	0.274	C	S	.	.			trans	-140.5	167.7	-166.1	-77.8	161.6	41.8	0	0	109.9	N42 N43 F44 Q150 Q154	Q40-N42 VanDerWaalsContact CB-OD1 3.23Å; Q40-N42 WeakPolarHBondContact CB-OD1 3.5Å; Q40-N42 PolarHBondContact O-N 2.83Å; Q40-N43 PolarHBondContact N-OD1 3.16Å; Q40-N43 PolarHBondContact O-N 3.32Å; Q40-N43 PolarHBondContact O-OD1 3.18Å; Q40-F44 VanDerWaalsContact O-CB 3.26Å; Q40-F44 WeakPolarHBondContact O-CB 3.48Å; Q40-F44 PolarHBondContact O-N 2.87Å; Q40-Q150 VanDerWaalsContact CD-NE2 3.34Å; Q40-Q154 HydrophobicContact CB-CB 4.36Å; Q40-Q154 WeakPolarHBondContact CB-O 3.42Å
41	S	96.6	Very high	93	Very high	60 Å²	60	44.8 Å²	44.8	42%	0.42	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.5	-173.1	64.2	0	0	0	0	114.3	Q154	S41-Q154 PolarHBondContact N-O 3.38Å; S41-Q154 PolarHBondContact OG-O 3.08Å
42	N	95.2	Very high	94.8	Very high	90 Å²	90	42.7 Å²	42.7	48%	0.481	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-35.9	175.6	57.7	-6.6	0	0	0	114	Q40	Q40-N42 VanDerWaalsContact CB-OD1 3.23Å; Q40-N42 WeakPolarHBondContact CB-OD1 3.5Å; Q40-N42 PolarHBondContact O-N 2.83Å
43	N	95.9	Very high	96	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-11	-175.3	74.7	10.5	0	0	0	114.3	D38 V39 Q40 K45 E46 M47 H280	D38-N43 PolarHBondContact O-ND2 2.78Å; V39-N43 WeakPolarHBondContact CA-OD1 3.3Å; Q40-N43 PolarHBondContact N-OD1 3.16Å; Q40-N43 PolarHBondContact O-N 3.32Å; Q40-N43 PolarHBondContact O-OD1 3.18Å; N43-K45 VanDerWaalsContact C-N 3.26Å; N43-K45 PolarHBondContact O-N 3.39Å; N43-K45 VanDerWaalsContact O-N 3.12Å; N43-E46 WeakPolarHBondContact O-CA 3.42Å; N43-E46 WeakPolarHBondContact O-CB 3.34Å; N43-E46 PolarHBondContact O-N 3.03Å; N43-M47 HydrophobicContact CB-CG 4.41Å; N43-M47 WeakPolarHBondContact O-CG 3.4Å; N43-M47 PolarHBondContact O-N 2.93Å; N43-H280 PolarHBondContact ND2-ND1 2.94Å
44	F	96.8	Very high	96.5	Very high	13 Å²	13	38 Å²	38	6%	0.057	20%	0.201	C	C	.	.	H	α-helix	trans	-54.1	-37.5	-174.8	-179.8	-127.1	0	0	0	114	V39 Q40 W48 L51 L123 I156 L176	V39-F44 HydrophobicContact CG1-CB 4.15Å; V39-F44 HydrophobicContact CG1-CD2 3.75Å; V39-F44 HydrophobicContact CG1-CG 4.45Å; Q40-F44 VanDerWaalsContact O-CB 3.26Å; Q40-F44 WeakPolarHBondContact O-CB 3.48Å; Q40-F44 PolarHBondContact O-N 2.87Å; F44-W48 HydrophobicContact CE1-CE3 4.25Å; F44-W48 HydrophobicContact CE1-CZ3 4.2Å; F44-W48 HydrophobicContact CE2-CE3 4.1Å; F44-W48 HydrophobicContact CE2-CZ3 4.23Å; F44-W48 AromaticContact CZ-CE3 3.83Å; F44-W48 HydrophobicContact CZ-CE3 3.83Å; F44-W48 AromaticContact CZ-CZ3 3.64Å; F44-W48 HydrophobicContact CZ-CZ3 3.64Å; F44-W48 WeakPolarHBondContact O-CB 3.44Å; F44-W48 PolarHBondContact O-N 2.73Å; F44-L51 HydrophobicContact CD2-CD1 4.11Å; F44-L51 HydrophobicContact CE2-CD1 3.99Å; F44-L123 HydrophobicContact CE2-CD2 4.09Å; F44-I156 HydrophobicContact CB-CD1 4.02Å; F44-I156 HydrophobicContact CB-CG1 4.12Å; F44-I156 HydrophobicContact CD1-CD1 4.41Å; F44-I156 HydrophobicContact CD1-CG1 4.47Å; F44-I156 HydrophobicContact CD1-CG2 3.87Å; F44-I156 HydrophobicContact CD2-CD1 3.64Å; F44-I156 HydrophobicContact CD2-CG1 4.48Å; F44-I156 HydrophobicContact CE1-CG2 3.87Å; F44-I156 HydrophobicContact CE2-CD1 4.11Å; F44-I156 HydrophobicContact CG-CD1 3.79Å; F44-I156 HydrophobicContact CG-CG1 4.15Å; F44-I156 HydrophobicContact CG-CG2 4.34Å; F44-I156 HydrophobicContact CZ-CG2 4.34Å; F44-L176 HydrophobicContact CE2-CD2 4.3Å
45	K	95.4	Very high	96.8	Very high	161 Å²	161	38.1 Å²	38.1	70%	0.7	20%	0.202	S	C	*	.	H	α-helix	trans	-68.5	-35.1	176.6	173.6	161.3	-176.6	179.6	0	113.3	N43	N43-K45 VanDerWaalsContact C-N 3.26Å; N43-K45 PolarHBondContact O-N 3.39Å; N43-K45 VanDerWaalsContact O-N 3.12Å
46	E	94.5	Very high	96.9	Very high	145 Å²	145	42.2 Å²	42.2	68%	0.678	22%	0.219	S	C	*	.	H	α-helix	trans	-76.5	-39.8	175.9	-175.3	176.3	170.4	0	0	111.1	N43 W48 P49	N43-E46 WeakPolarHBondContact O-CA 3.42Å; N43-E46 WeakPolarHBondContact O-CB 3.34Å; N43-E46 PolarHBondContact O-N 3.03Å; E46-W48 VanDerWaalsContact C-N 3.27Å; E46-W48 PolarHBondContact O-N 3.15Å; E46-P49 WeakPolarHBondContact O-CD 3.32Å
47	M	95.7	Very high	96.9	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.03	23%	0.232	C	C	.	.	H	α-helix	trans	-72.7	-16.4	177.5	-66.4	-52.9	-49	0	0	114	V37 V39 N43 S50 L51 F121 M277	V37-M47 HydrophobicContact CG1-CE 3.74Å; V37-M47 HydrophobicContact CG1-SD 4.3Å; V39-M47 HydrophobicContact CG1-CB 4.09Å; V39-M47 HydrophobicContact CG1-CG 4.32Å; V39-M47 HydrophobicContact CG2-CB 4.47Å; V39-M47 HydrophobicContact CG2-CG 4.36Å; N43-M47 HydrophobicContact CB-CG 4.41Å; N43-M47 WeakPolarHBondContact O-CG 3.4Å; N43-M47 PolarHBondContact O-N 2.93Å; M47-S50 PolarHBondContact O-N 3.34Å; M47-S50 VanDerWaalsContact O-N 3.12Å; M47-L51 HydrophobicContact CB-CD1 4.39Å; M47-L51 PolarHBondContact O-N 3.32Å; M47-F121 HydrophobicContact CE-CE1 3.99Å; M47-M277 HydrophobicContact SD-SD 3.85Å
48	W	97.1	Very high	97	Very high	27 Å²	27	44.3 Å²	44.3	10%	0.102	23%	0.232	C	C	.	.	H	α-helix	trans	-51.9	-46.3	-175.7	-175.1	-92.5	0	0	0	115	F44 E46 S50 L51 L52 Q171 T175 L176	F44-W48 HydrophobicContact CE1-CE3 4.25Å; F44-W48 HydrophobicContact CE1-CZ3 4.2Å; F44-W48 HydrophobicContact CE2-CE3 4.1Å; F44-W48 HydrophobicContact CE2-CZ3 4.23Å; F44-W48 AromaticContact CZ-CE3 3.83Å; F44-W48 HydrophobicContact CZ-CE3 3.83Å; F44-W48 AromaticContact CZ-CZ3 3.64Å; F44-W48 HydrophobicContact CZ-CZ3 3.64Å; F44-W48 WeakPolarHBondContact O-CB 3.44Å; F44-W48 PolarHBondContact O-N 2.73Å; E46-W48 VanDerWaalsContact C-N 3.27Å; E46-W48 PolarHBondContact O-N 3.15Å; W48-S50 VanDerWaalsContact C-N 3.34Å; W48-S50 PolarHBondContact O-N 3.36Å; W48-L51 PolarHBondContact O-N 3.37Å; W48-L52 HydrophobicContact CZ2-CD1 4.21Å; W48-L52 HydrophobicContact CZ2-CD2 4.15Å; W48-L52 HydrophobicContact CZ2-CG 4.41Å; W48-L52 VanDerWaalsContact NE1-CD1 3.32Å; W48-L52 WeakPolarHBondContact O-CG 3.36Å; W48-L52 PolarHBondContact O-N 3.47Å; W48-Q171 HydrophobicContact CD2-CB 4.17Å; W48-Q171 HydrophobicContact CD2-CG 3.87Å; W48-Q171 HydrophobicContact CE3-CB 4.04Å; W48-Q171 HydrophobicContact CE3-CG 4.26Å; W48-Q171 HydrophobicContact CG-CG 4.15Å; W48-Q171 HydrophobicContact CZ2-CG 4.39Å; W48-Q171 HydrophobicContact CZ3-CB 4.26Å; W48-T175 HydrophobicContact CH2-CG2 3.93Å; W48-T175 HydrophobicContact CZ2-CG2 4.09Å; W48-L176 HydrophobicContact CH2-CB 4.08Å; W48-L176 HydrophobicContact CH2-CD1 4.46Å; W48-L176 HydrophobicContact CZ3-CB 3.95Å; W48-L176 HydrophobicContact CZ3-CD1 4.29Å
49	P	96.8	Very high	96.9	Very high	83 Å²	83	46.8 Å²	46.8	54%	0.539	25%	0.245	S	C	.	.	H	α-helix	trans	-64	-38.6	178.6	-19.6	34.5	0	0	0	112.3	E46 L52 L53	E46-P49 WeakPolarHBondContact O-CD 3.32Å; P49-L52 PolarHBondContact O-N 3.1Å; P49-L53 VanDerWaalsContact O-CB 3.27Å; P49-L53 WeakPolarHBondContact O-CB 3.35Å; P49-L53 PolarHBondContact O-N 3.5Å
50	S	96.6	Very high	96.9	Very high	51 Å²	51	46.8 Å²	46.8	36%	0.357	25%	0.245	S	C	.	.	H	α-helix	trans	-68.2	-41.8	178.1	-60.3	0	0	0	0	111.9	M47 W48 L53 A54	M47-S50 PolarHBondContact O-N 3.34Å; M47-S50 VanDerWaalsContact O-N 3.12Å; W48-S50 VanDerWaalsContact C-N 3.34Å; W48-S50 PolarHBondContact O-N 3.36Å; S50-L53 PolarHBondContact O-N 2.96Å; S50-A54 VanDerWaalsContact O-CB 3.28Å; S50-A54 WeakPolarHBondContact O-CB 3.35Å; S50-A54 PolarHBondContact O-N 3.36Å
51	L	98.2	Very high	97	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-49.7	172.7	-74.6	167.5	0	0	0	111.3	V39 F44 M47 W48 A54 I55 L102 F121 L123 L176	V39-L51 HydrophobicContact CG1-CD1 4.38Å; F44-L51 HydrophobicContact CD2-CD1 4.11Å; F44-L51 HydrophobicContact CE2-CD1 3.99Å; M47-L51 HydrophobicContact CB-CD1 4.39Å; M47-L51 PolarHBondContact O-N 3.32Å; W48-L51 PolarHBondContact O-N 3.37Å; L51-A54 PolarHBondContact O-N 2.9Å; L51-I55 WeakPolarHBondContact O-CB 3.19Å; L51-I55 VanDerWaalsContact O-CG1 3.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.26Å; L51-I55 PolarHBondContact O-N 3.42Å; L51-L102 HydrophobicContact CD2-CD1 4.35Å; L51-F121 HydrophobicContact CD2-CB 4.01Å; L51-F121 HydrophobicContact CD2-CD1 3.54Å; L51-F121 HydrophobicContact CD2-CD2 3.84Å; L51-F121 HydrophobicContact CD2-CE1 3.87Å; L51-F121 HydrophobicContact CD2-CE2 4.15Å; L51-F121 HydrophobicContact CD2-CG 3.52Å; L51-F121 HydrophobicContact CD2-CZ 4.16Å; L51-F121 HydrophobicContact CG-CD1 4.29Å; L51-F121 HydrophobicContact CG-CE1 4.27Å; L51-L123 HydrophobicContact CD2-CD1 4.17Å; L51-L176 HydrophobicContact CB-CD1 4.13Å; L51-L176 HydrophobicContact CD1-CD2 4.25Å
52	L	97.9	Very high	97.1	Very high	26 Å²	26	43.8 Å²	43.8	14%	0.136	22%	0.224	C	C	.	.	H	α-helix	trans	-65.5	-39.3	178.5	-66.4	-164.7	0	0	0	112.8	W48 P49 K56 L176 E179	W48-L52 HydrophobicContact CZ2-CD1 4.21Å; W48-L52 HydrophobicContact CZ2-CD2 4.15Å; W48-L52 HydrophobicContact CZ2-CG 4.41Å; W48-L52 VanDerWaalsContact NE1-CD1 3.32Å; W48-L52 WeakPolarHBondContact O-CG 3.36Å; W48-L52 PolarHBondContact O-N 3.47Å; P49-L52 PolarHBondContact O-N 3.1Å; L52-K56 VanDerWaalsContact O-CB 3.23Å; L52-K56 WeakPolarHBondContact O-CB 3.45Å; L52-K56 WeakPolarHBondContact O-CG 3.48Å; L52-K56 PolarHBondContact O-N 3.4Å; L52-L176 HydrophobicContact CD2-CD1 3.93Å; L52-E179 HydrophobicContact CD2-CB 3.64Å; L52-E179 HydrophobicContact CD2-CG 3.68Å
53	L	98	Very high	97.3	Very high	104 Å²	104	39.5 Å²	39.5	55%	0.545	20%	0.202	S	C	.	.	H	α-helix	trans	-65.4	-44.3	178.1	-178.1	64.3	0	0	0	111.4	P49 S50 T57	P49-L53 VanDerWaalsContact O-CB 3.27Å; P49-L53 WeakPolarHBondContact O-CB 3.35Å; P49-L53 PolarHBondContact O-N 3.5Å; S50-L53 PolarHBondContact O-N 2.96Å; L53-T57 HydrophobicContact CD1-CG2 3.8Å; L53-T57 WeakPolarHBondContact O-CB 3.35Å; L53-T57 WeakPolarHBondContact O-CG2 3.37Å; L53-T57 PolarHBondContact O-N 2.91Å; L53-T57 PolarHBondContact O-OG1 2.77Å
54	A	98.4	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-53	177.1	0	0	0	0	0	111.2	S50 L51 K56 T57 A58 C104 Q119 F121	S50-A54 VanDerWaalsContact O-CB 3.28Å; S50-A54 WeakPolarHBondContact O-CB 3.35Å; S50-A54 PolarHBondContact O-N 3.36Å; L51-A54 PolarHBondContact O-N 2.9Å; A54-K56 PolarHBondContact O-N 3.18Å; A54-T57 PolarHBondContact O-N 2.92Å; A54-A58 WeakPolarHBondContact O-CB 3.49Å; A54-A58 PolarHBondContact O-N 2.9Å; A54-C104 HydrophobicContact CB-CB 3.83Å; A54-Q119 HydrophobicContact CB-CB 4.14Å; A54-F121 HydrophobicContact CB-CE2 3.76Å; A54-F121 HydrophobicContact CB-CZ 4.07Å
55	I	98.4	Very high	97.5	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-45.9	178.9	-71.4	169.5	0	0	0	111.7	L51 L102 L176 L180 A183	L51-I55 WeakPolarHBondContact O-CB 3.19Å; L51-I55 VanDerWaalsContact O-CG1 3.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.26Å; L51-I55 PolarHBondContact O-N 3.42Å; I55-L102 HydrophobicContact CD1-CD1 4.49Å; I55-L176 HydrophobicContact CD1-CD1 3.68Å; I55-L176 HydrophobicContact CD1-CG 4.26Å; I55-L180 HydrophobicContact CG2-CB 4.42Å; I55-L180 HydrophobicContact CG2-CD1 4.04Å; I55-A183 HydrophobicContact CG2-CB 3.72Å
56	K	97.4	Very high	97.6	Very high	90 Å²	90	33.6 Å²	33.6	39%	0.391	18%	0.178	S	C	.	.	H	α-helix	trans	-74.1	-30.8	-175.8	-70.5	173.9	-177.3	-179.5	0	113.3	L52 A54 E179 A183 R185	L52-K56 VanDerWaalsContact O-CB 3.23Å; L52-K56 WeakPolarHBondContact O-CB 3.45Å; L52-K56 WeakPolarHBondContact O-CG 3.48Å; L52-K56 PolarHBondContact O-N 3.4Å; A54-K56 PolarHBondContact O-N 3.18Å; K56-E179 WeakPolarHBondContact CE-OE2 3.41Å; K56-E179 IonicContact NZ-OE2 3.94Å; K56-E179 PolarHBondContact NZ-OE2 2.89Å; K56-A183 HydrophobicContact CG-CB 4.37Å; K56-R185 PolarHBondContact O-NE 3.27Å; K56-R185 PolarHBondContact O-NH2 3.16Å
57	T	97.1	Very high	97.7	Very high	45 Å²	45	27.4 Å²	27.4	28%	0.276	15%	0.15	S	C	.	.	H	α-helix	trans	-96.9	-8.1	-178.1	64.3	0	0	0	0	114.8	L53 A54 K106	L53-T57 HydrophobicContact CD1-CG2 3.8Å; L53-T57 WeakPolarHBondContact O-CB 3.35Å; L53-T57 WeakPolarHBondContact O-CG2 3.37Å; L53-T57 PolarHBondContact O-N 2.91Å; L53-T57 PolarHBondContact O-OG1 2.77Å; A54-T57 PolarHBondContact O-N 2.92Å; T57-K106 WeakPolarHBondContact O-CG 3.47Å
58	A	97.9	Very high	97.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.008	15%	0.149	C	C	.	.			trans	-63	152	173.9	0	0	0	0	0	113.3	A54 F60 V61 C104 R185	A54-A58 WeakPolarHBondContact O-CB 3.49Å; A54-A58 PolarHBondContact O-N 2.9Å; A58-F60 WeakPolarHBondContact CB-O 3.27Å; A58-V61 HydrophobicContact CB-CG2 4.04Å; A58-C104 HydrophobicContact CB-CB 4.07Å; A58-R185 WeakPolarHBondContact O-CD 3.21Å; A58-R185 PolarHBondContact O-NE 3.1Å
59	N	96	Very high	97.8	Very high	69 Å²	69	25.9 Å²	25.9	37%	0.369	14%	0.144	S	C	.	.	S	Bend	trans	-79.7	-34.6	166.5	-72.5	78.1	0	0	0	111.3	F105 R107 Y116 P186	N59-F105 PolarHBondContact N-O 3.41Å; N59-R107 WeakPolarHBondContact OD1-CB 3.49Å; N59-R107 PolarHBondContact OD1-N 3.42Å; N59-Y116 HydrophobicContact CB-CE1 4.28Å; N59-P186 WeakPolarHBondContact O-CD 3.32Å
60	F	98.1	Very high	97.5	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	159.1	171	68.8	-93.2	0	0	0	110.1	A58 F105 Y116 P186 V188 G447 A451 W467	A58-F60 WeakPolarHBondContact CB-O 3.27Å; F60-F105 HydrophobicContact CD1-CB 4.04Å; F60-F105 HydrophobicContact CD2-CB 4.27Å; F60-F105 HydrophobicContact CD2-CD2 4.38Å; F60-F105 HydrophobicContact CE1-CB 3.48Å; F60-F105 VanDerWaalsContact CE1-CB 3.48Å; F60-F105 HydrophobicContact CE1-CD1 4.47Å; F60-F105 AromaticContact CE1-CG 4Å; F60-F105 HydrophobicContact CE1-CG 4Å; F60-F105 HydrophobicContact CE2-CB 3.75Å; F60-F105 HydrophobicContact CE2-CD1 4.49Å; F60-F105 AromaticContact CE2-CD2 3.49Å; F60-F105 HydrophobicContact CE2-CD2 3.49Å; F60-F105 VanDerWaalsContact CE2-CD2 3.49Å; F60-F105 HydrophobicContact CE2-CE2 4.2Å; F60-F105 AromaticContact CE2-CG 3.67Å; F60-F105 HydrophobicContact CE2-CG 3.67Å; F60-F105 HydrophobicContact CG-CB 4.41Å; F60-F105 HydrophobicContact CZ-CB 3.32Å; F60-F105 AromaticContact CZ-CD1 3.82Å; F60-F105 HydrophobicContact CZ-CD1 3.82Å; F60-F105 AromaticContact CZ-CD2 3.65Å; F60-F105 HydrophobicContact CZ-CD2 3.65Å; F60-F105 HydrophobicContact CZ-CE2 4.4Å; F60-F105 AromaticContact CZ-CG 3.32Å; F60-F105 HydrophobicContact CZ-CG 3.32Å; F60-F105 PolarHBondContact O-N 3.04Å; F60-F105 VanDerWaalsContact O-N 3.16Å; F60-Y116 HydrophobicContact CD1-CE1 4.29Å; F60-Y116 HydrophobicContact CE1-CD1 4.49Å; F60-Y116 AromaticContact CE1-CE1 3.79Å; F60-Y116 HydrophobicContact CE1-CE1 3.79Å; F60-P186 HydrophobicContact CB-CB 3.96Å; F60-P186 HydrophobicContact CB-CG 4.3Å; F60-V188 HydrophobicContact CB-CG2 4.21Å; F60-V188 HydrophobicContact CD2-CB 4.41Å; F60-V188 HydrophobicContact CD2-CG2 3.57Å; F60-V188 HydrophobicContact CE2-CG2 4.28Å; F60-V188 HydrophobicContact CG-CG2 4.16Å; F60-G447 WeakPolarHBondContact CZ-O 3.2Å; F60-A451 HydrophobicContact CE1-CB 4.28Å; F60-A451 HydrophobicContact CZ-CB 4.05Å; F60-W467 HydrophobicContact CB-CZ3 3.97Å; F60-W467 HydrophobicContact CD1-CE3 4.47Å; F60-W467 AromaticContact CD1-CH2 3.25Å; F60-W467 HydrophobicContact CD1-CH2 3.25Å; F60-W467 HydrophobicContact CD1-CZ2 4.09Å; F60-W467 AromaticContact CD1-CZ3 3.47Å; F60-W467 HydrophobicContact CD1-CZ3 3.47Å; F60-W467 VanDerWaalsContact CD1-CZ3 3.47Å; F60-W467 HydrophobicContact CD2-CZ3 4.33Å; F60-W467 AromaticContact CE1-CH2 3.32Å; F60-W467 HydrophobicContact CE1-CH2 3.32Å; F60-W467 HydrophobicContact CE1-CZ2 4.09Å; F60-W467 AromaticContact CE1-CZ3 3.99Å; F60-W467 HydrophobicContact CE1-CZ3 3.99Å; F60-W467 AromaticContact CG-CH2 3.9Å; F60-W467 HydrophobicContact CG-CH2 3.9Å; F60-W467 AromaticContact CG-CZ3 3.66Å; F60-W467 HydrophobicContact CG-CZ3 3.66Å; F60-W467 HydrophobicContact CZ-CH2 4.02Å
61	V	98.8	Very high	97.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.6	175.4	-176.3	0	0	0	0	109.3	A58 V63 L180 R185 P186 V188	A58-V61 HydrophobicContact CB-CG2 4.04Å; V61-V63 HydrophobicContact CG1-CG2 4.12Å; V61-L180 HydrophobicContact CB-CD1 3.9Å; V61-L180 HydrophobicContact CG1-CD1 3.89Å; V61-L180 HydrophobicContact CG2-CD1 3.94Å; V61-R185 HydrophobicContact CG2-CB 4.44Å; V61-P186 PolarHBondContact N-O 3.16Å; V61-V188 PolarHBondContact O-N 3.03Å
62	A	98.8	Very high	96.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	142.6	171.4	0	0	0	0	0	111.1	A103 V188 A443 T446	A62-A103 HydrophobicContact CB-CB 4.34Å; A62-A103 PolarHBondContact N-O 3.38Å; A62-A103 PolarHBondContact O-N 3.15Å; A62-V188 CarbonylContact C-O 3.5Å; A62-V188 VanDerWaalsContact CA-O 3.24Å; A62-V188 WeakPolarHBondContact CA-O 3.4Å; A62-V188 HydrophobicContact CB-CB 4.05Å; A62-A443 WeakPolarHBondContact CB-O 3.45Å; A62-T446 HydrophobicContact CB-CG2 4.07Å
63	V	98.8	Very high	96.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.1	-172.3	-177	0	0	0	0	110.6	V61 L100 G101 L102 L180 L187 V188 L199	V61-V63 HydrophobicContact CG1-CG2 4.12Å; V63-L100 HydrophobicContact CG1-CD1 3.66Å; V63-G101 WeakPolarHBondContact CA-O 3.23Å; V63-L102 HydrophobicContact CG1-CD2 4.41Å; V63-L102 HydrophobicContact CG2-CD2 3.9Å; V63-L180 HydrophobicContact CG2-CD2 4.39Å; V63-L187 HydrophobicContact CB-CD1 4.28Å; V63-L187 HydrophobicContact CG2-CD1 3.57Å; V63-V188 PolarHBondContact N-O 3.39Å; V63-L199 HydrophobicContact CG1-CD1 4.01Å; V63-L199 HydrophobicContact CG1-CD2 4.42Å
64	D	98.6	Very high	96	Very high	24 Å²	24	38.5 Å²	38.5	13%	0.128	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	157.3	177.9	-169.5	92.4	0	0	0	109.6	G101 D442 A443	D64-G101 PolarHBondContact N-O 3.17Å; D64-G101 PolarHBondContact O-N 3.38Å; D64-D442 HydrophobicContact CB-CB 4.21Å; D64-A443 HydrophobicContact CB-CB 4Å
65	T	98.4	Very high	95.7	Very high	10 Å²	10	40.8 Å²	40.8	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	129.6	-175.4	60.6	0	0	0	0	115.1	I97 L100 D195 L199	T65-I97 HydrophobicContact CG2-CD1 4.37Å; T65-I97 HydrophobicContact CG2-CG2 4.2Å; T65-L100 HydrophobicContact CG2-CD1 3.82Å; T65-D195 PolarHBondContact N-OD1 3Å; T65-D195 PolarHBondContact OG1-OD1 3.01Å; T65-L199 HydrophobicContact CG2-CD2 4.07Å; T65-L199 HydrophobicContact CG2-CG 4.35Å
66	E	97.9	Very high	95.2	Very high	19 Å²	19	41.8 Å²	41.8	9%	0.089	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	130.1	166.3	-56.3	-59.5	174.6	0	0	109.9	L98 S99 L141 F146 R438 A439	E66-L98 HydrophobicContact CB-CB 4.34Å; E66-L98 PolarHBondContact O-N 2.83Å; E66-S99 PolarHBondContact N-O 2.85Å; E66-S99 PolarHBondContact O-N 2.96Å; E66-L141 HydrophobicContact CB-CD2 4.03Å; E66-L141 HydrophobicContact CG-CD2 4.11Å; E66-L141 WeakPolarHBondContact OE2-CD2 3.31Å; E66-F146 HydrophobicContact CB-CD2 4.42Å; E66-F146 HydrophobicContact CB-CE2 4.05Å; E66-F146 HydrophobicContact CG-CD2 4.14Å; E66-F146 HydrophobicContact CG-CE2 4.06Å; E66-R438 VanDerWaalsContact OE1-CA 3.29Å; E66-R438 WeakPolarHBondContact OE1-CA 3.46Å; E66-A439 HydrophobicContact CG-CB 3.98Å; E66-A439 PolarHBondContact OE1-N 3.46Å
67	L	97.8	Very high	94.9	Very high	16 Å²	16	41.1 Å²	41.1	8%	0.084	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.5	-169.8	-57.4	-178.3	0	0	0	112.5	G69 L70 I97 I194 F198	L67-G69 PolarHBondContact O-N 2.85Å; L67-G69 VanDerWaalsContact O-N 3.1Å; L67-L70 HydrophobicContact CB-CD2 4.42Å; L67-L70 HydrophobicContact CD1-CD2 3.78Å; L67-I97 HydrophobicContact CD2-CB 4.26Å; L67-I97 HydrophobicContact CD2-CG1 3.7Å; L67-I97 HydrophobicContact CD2-CG2 4.45Å; L67-I194 HydrophobicContact CD1-CG2 3.66Å; L67-F198 HydrophobicContact CB-CE1 4.41Å; L67-F198 HydrophobicContact CD1-CD1 4.1Å; L67-F198 HydrophobicContact CD1-CD2 3.85Å; L67-F198 HydrophobicContact CD1-CE1 4.1Å; L67-F198 HydrophobicContact CD1-CE2 3.87Å; L67-F198 HydrophobicContact CD1-CG 3.95Å; L67-F198 HydrophobicContact CD1-CZ 3.98Å; L67-F198 HydrophobicContact CD2-CB 4.21Å; L67-F198 HydrophobicContact CD2-CD1 3.48Å; L67-F198 VanDerWaalsContact CD2-CD1 3.48Å; L67-F198 HydrophobicContact CD2-CE1 3.86Å; L67-F198 HydrophobicContact CD2-CG 3.86Å; L67-F198 HydrophobicContact CG-CD1 4.33Å; L67-F198 HydrophobicContact CG-CE1 4.36Å
68	S	97.3	Very high	94.7	Very high	1 Å²	1	42 Å²	42	1%	0.007	21%	0.211	C	C	.	.	S	Bend	trans	-66.7	-12.2	178.5	77.7	0	0	0	0	114.1	R95 S96 V132 E134	S68-R95 WeakPolarHBondContact OG-CA 3.32Å; S68-R95 WeakPolarHBondContact OG-CB 3.46Å; S68-S96 WeakPolarHBondContact CB-OG 3.19Å; S68-S96 PolarHBondContact N-O 3.41Å; S68-S96 PolarHBondContact OG-N 2.86Å; S68-S96 PolarHBondContact OG-OG 2.94Å; S68-V132 PolarHBondContact OG-O 3.45Å; S68-E134 PolarHBondContact O-N 2.79Å
69	G	96.4	Very high	94.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.			trans	168.2	155.2	177.6	0	0	0	0	0	111.8	L67 R95 E134	L67-G69 PolarHBondContact O-N 2.85Å; L67-G69 VanDerWaalsContact O-N 3.1Å; G69-R95 WeakPolarHBondContact O-CD 3.47Å; G69-R95 WeakPolarHBondContact O-CG 3.42Å; G69-E134 WeakPolarHBondContact CA-OE2 3.06Å
70	L	91.1	Very high	94.4	Very high	75 Å²	75	46.3 Å²	46.3	39%	0.393	23%	0.234	S	C	.	.			trans	-102.3	-23.2	-175.8	-60.7	177.8	0	0	0	112.9	L67 L76 A91 E134 I194	L67-L70 HydrophobicContact CB-CD2 4.42Å; L67-L70 HydrophobicContact CD1-CD2 3.78Å; L70-L76 HydrophobicContact CB-CD1 3.85Å; L70-L76 WeakPolarHBondContact O-CD1 3.26Å; L70-A91 WeakPolarHBondContact O-CB 3.43Å; L70-E134 PolarHBondContact N-OE1 2.97Å; L70-E134 PolarHBondContact N-OE2 2.87Å; L70-I194 HydrophobicContact CD2-CD1 4.4Å; L70-I194 HydrophobicContact CD2-CG2 4.22Å
71	G	91.1	Very high	94.2	Very high	22 Å²	22	48 Å²	48	23%	0.227	24%	0.242	C	C	.	.			trans	91.7	-168.2	-171.1	0	0	0	0	0	113.5	R73 E134	G71-R73 PolarHBondContact O-N 3.01Å; G71-E134 WeakPolarHBondContact CA-OE1 3.45Å; G71-E134 PolarHBondContact N-OE1 3.1Å
72	D	90	Very high	94	Very high	84 Å²	84	52.6 Å²	52.6	45%	0.449	26%	0.264	S	S	.	.			trans	-68.4	119.2	-177.2	164.9	50.1	0	0	0	112.6	K74 S75 L76	D72-K74 PolarHBondContact O-N 2.8Å; D72-K74 PolarHBondContact OD1-N 2.87Å; D72-K74 VanDerWaalsContact OD1-N 3.11Å; D72-K74 WeakPolarHBondContact OD2-CB 3.3Å; D72-K74 PolarHBondContact OD2-N 2.81Å; D72-S75 PolarHBondContact O-N 2.78Å; D72-S75 VanDerWaalsContact O-N 3.12Å; D72-S75 VanDerWaalsContact OD2-CB 3.29Å; D72-S75 WeakPolarHBondContact OD2-CB 3.36Å; D72-S75 PolarHBondContact OD2-N 2.69Å; D72-S75 PolarHBondContact OD2-OG 2.67Å; D72-L76 WeakPolarHBondContact O-CG 3.49Å; D72-L76 PolarHBondContact O-N 3.47Å
73	R	87.6	Confident	93.9	Very high	172 Å²	172	56.5 Å²	56.5	65%	0.649	28%	0.282	S	S	*	.	H	α-helix	trans	-58.2	-29.4	179.5	-173.4	173.9	177.7	173.3	1.2	113.6	G71 L77	G71-R73 PolarHBondContact O-N 3.01Å; R73-L77 HydrophobicContact CG-CD1 4.07Å; R73-L77 WeakPolarHBondContact O-CB 3.41Å; R73-L77 WeakPolarHBondContact O-CG 3.35Å; R73-L77 PolarHBondContact O-N 2.97Å
74	K	90.3	Very high	93.8	Very high	176 Å²	176	56.8 Å²	56.8	77%	0.765	28%	0.283	S	S	*	.	H	α-helix	trans	-69.9	-45.3	176.6	-61.4	178.5	179.7	178	0	110.7	D72 L77 N78	D72-K74 PolarHBondContact O-N 2.8Å; D72-K74 PolarHBondContact OD1-N 2.87Å; D72-K74 VanDerWaalsContact OD1-N 3.11Å; D72-K74 WeakPolarHBondContact OD2-CB 3.3Å; D72-K74 PolarHBondContact OD2-N 2.81Å; K74-L77 CarbonylContact O-C 3.49Å; K74-L77 PolarHBondContact O-N 2.9Å; K74-N78 PolarHBondContact O-N 3Å; K74-N78 VanDerWaalsContact O-N 3.14Å
75	S	91.3	Very high	93.7	Very high	48 Å²	48	55.9 Å²	55.9	34%	0.336	28%	0.278	S	S	.	.	H	α-helix	trans	-65.3	-40.5	177.4	-56.8	0	0	0	0	112.3	D72 L77 N78	D72-S75 PolarHBondContact O-N 2.78Å; D72-S75 VanDerWaalsContact O-N 3.12Å; D72-S75 VanDerWaalsContact OD2-CB 3.29Å; D72-S75 WeakPolarHBondContact OD2-CB 3.36Å; D72-S75 PolarHBondContact OD2-N 2.69Å; D72-S75 PolarHBondContact OD2-OG 2.67Å; S75-L77 PolarHBondContact O-N 2.94Å; S75-N78 VanDerWaalsContact O-CB 3.25Å; S75-N78 WeakPolarHBondContact O-CB 3.31Å; S75-N78 PolarHBondContact O-N 3.01Å
76	L	89	Confident	93.7	Very high	23 Å²	23	60.5 Å²	60.5	12%	0.12	30%	0.297	C	S	.	.	H	α-helix	trans	-63.4	-22.1	173.7	-65.9	173.2	0	0	0	113.8	L70 D72 R84 V88 I194	L70-L76 HydrophobicContact CB-CD1 3.85Å; L70-L76 WeakPolarHBondContact O-CD1 3.26Å; D72-L76 WeakPolarHBondContact O-CG 3.49Å; D72-L76 PolarHBondContact O-N 3.47Å; L76-R84 VanDerWaalsContact O-CD 3.3Å; L76-R84 WeakPolarHBondContact O-CD 3.44Å; L76-R84 VanDerWaalsContact O-CG 3.29Å; L76-R84 WeakPolarHBondContact O-CG 3.43Å; L76-R84 PolarHBondContact O-NE 2.98Å; L76-V88 HydrophobicContact CD2-CG2 3.74Å; L76-I194 HydrophobicContact CD2-CD1 4.49Å
77	L	91	Very high	93.6	Very high	75 Å²	75	60.6 Å²	60.6	39%	0.393	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	9	178.2	-64.9	175.5	0	0	0	113.2	R73 K74 S75 R84	R73-L77 HydrophobicContact CG-CD1 4.07Å; R73-L77 WeakPolarHBondContact O-CB 3.41Å; R73-L77 WeakPolarHBondContact O-CG 3.35Å; R73-L77 PolarHBondContact O-N 2.97Å; K74-L77 CarbonylContact O-C 3.49Å; K74-L77 PolarHBondContact O-N 2.9Å; S75-L77 PolarHBondContact O-N 2.94Å; L77-R84 PolarHBondContact O-NH2 3.49Å; L77-R84 VanDerWaalsContact O-NH2 3.11Å
78	N	92.9	Very high	93.6	Very high	63 Å²	63	60 Å²	60	34%	0.337	30%	0.298	S	S	.	.			trans	-52.9	140.5	-179.3	-169.1	-30.2	0	0	0	111.3	K74 S75 C80 E83 R84	K74-N78 PolarHBondContact O-N 3Å; K74-N78 VanDerWaalsContact O-N 3.14Å; S75-N78 VanDerWaalsContact O-CB 3.25Å; S75-N78 WeakPolarHBondContact O-CB 3.31Å; S75-N78 PolarHBondContact O-N 3.01Å; N78-C80 PolarHBondContact OD1-N 2.88Å; N78-E83 WeakPolarHBondContact ND2-CB 3.46Å; N78-R84 HydrophobicContact CB-CB 4.28Å; N78-R84 VanDerWaalsContact O-CZ 3.29Å; N78-R84 PolarHBondContact O-NE 2.86Å; N78-R84 PolarHBondContact O-NH2 3.35Å
79	Q	92.6	Very high	93.6	Very high	113 Å²	113	60.1 Å²	60.1	53%	0.528	30%	0.299	S	S	.	.	S	Bend	trans	-76.7	-24.7	-178.3	-73.8	-63.8	-13.7	0	0	113.3	G479 K480	Q79-G479 PolarHBondContact NE2-O 3.19Å; Q79-K480 PolarHBondContact O-NZ 3.49Å
80	C	94.4	Very high	93.7	Very high	48 Å²	48	65.7 Å²	65.7	32%	0.324	33%	0.325	S	S	.	.	S	Bend	trans	-76.3	125	163.7	176.3	0	0	0	0	109	N78 E82 E83 R84	N78-C80 PolarHBondContact OD1-N 2.88Å; C80-E82 VanDerWaalsContact C-N 3.31Å; C80-E82 PolarHBondContact SG-OE2 2.98Å; C80-E83 HydrophobicContact CB-CB 4.17Å; C80-E83 HydrophobicContact CB-CG 4.12Å; C80-R84 WeakPolarHBondContact O-CB 3.41Å; C80-R84 PolarHBondContact O-N 3.36Å
81	I	94.1	Very high	94	Very high	36 Å²	36	62.1 Å²	62.1	19%	0.185	31%	0.306	C	S	.	.	H	α-helix	trans	-75.4	-28.7	-174.9	-48.6	177	0	0	0	109.9	R84 Y85 L211 L477 K480	I81-R84 PolarHBondContact O-N 3.46Å; I81-Y85 VanDerWaalsContact O-CB 3.26Å; I81-Y85 WeakPolarHBondContact O-CB 3.45Å; I81-Y85 PolarHBondContact O-N 3.4Å; I81-L211 HydrophobicContact CB-CD2 4.17Å; I81-L211 HydrophobicContact CG2-CD2 3.62Å; I81-L477 HydrophobicContact CD1-CD1 3.81Å; I81-L477 HydrophobicContact CG1-CD1 4.38Å; I81-L477 HydrophobicContact CG2-CD1 4.29Å; I81-K480 HydrophobicContact CD1-CD 4.24Å; I81-K480 HydrophobicContact CG1-CD 3.98Å
82	E	95	Very high	94.3	Very high	99 Å²	99	61.1 Å²	61.1	46%	0.463	30%	0.296	S	S	.	.	H	α-helix	trans	-70.4	-45.3	177.8	-62.3	64.7	-148.5	0	0	111.2	C80 Y85 K86	C80-E82 VanDerWaalsContact C-N 3.31Å; C80-E82 PolarHBondContact SG-OE2 2.98Å; E82-Y85 PolarHBondContact O-N 3.24Å; E82-K86 WeakPolarHBondContact O-CG 3.19Å; E82-K86 PolarHBondContact O-N 3.28Å
83	E	96.1	Very high	94.7	Very high	82 Å²	82	61.9 Å²	61.9	38%	0.383	29%	0.292	S	S	.	.	H	α-helix	trans	-68.9	-36.6	172.4	-61.8	-44.2	125	0	0	112.1	N78 C80 K86 A87	N78-E83 WeakPolarHBondContact ND2-CB 3.46Å; C80-E83 HydrophobicContact CB-CB 4.17Å; C80-E83 HydrophobicContact CB-CG 4.12Å; E83-K86 VanDerWaalsContact CD-NZ 3.33Å; E83-K86 PolarHBondContact O-N 2.78Å; E83-K86 IonicContact OE1-NZ 3.71Å; E83-K86 PolarHBondContact OE1-NZ 2.97Å; E83-K86 WeakPolarHBondContact OE2-CD 3.46Å; E83-K86 IonicContact OE2-NZ 2.76Å; E83-K86 PolarHBondContact OE2-NZ 2.94Å; E83-A87 PolarHBondContact O-N 3.43Å
84	R	96.3	Very high	95.2	Very high	7 Å²	7	55.3 Å²	55.3	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-48	170.6	-171.8	-172.2	-65.8	-148.2	-5.5	110.9	L76 L77 N78 C80 I81 K86 A87 V88 S478	L76-R84 VanDerWaalsContact O-CD 3.3Å; L76-R84 WeakPolarHBondContact O-CD 3.44Å; L76-R84 VanDerWaalsContact O-CG 3.29Å; L76-R84 WeakPolarHBondContact O-CG 3.43Å; L76-R84 PolarHBondContact O-NE 2.98Å; L77-R84 PolarHBondContact O-NH2 3.49Å; L77-R84 VanDerWaalsContact O-NH2 3.11Å; N78-R84 HydrophobicContact CB-CB 4.28Å; N78-R84 VanDerWaalsContact O-CZ 3.29Å; N78-R84 PolarHBondContact O-NE 2.86Å; N78-R84 PolarHBondContact O-NH2 3.35Å; C80-R84 WeakPolarHBondContact O-CB 3.41Å; C80-R84 PolarHBondContact O-N 3.36Å; I81-R84 PolarHBondContact O-N 3.46Å; R84-K86 PolarHBondContact O-N 3.11Å; R84-A87 WeakPolarHBondContact O-CB 3.33Å; R84-A87 PolarHBondContact O-N 2.79Å; R84-A87 VanDerWaalsContact O-N 3.14Å; R84-V88 WeakPolarHBondContact O-CG2 3.49Å; R84-V88 PolarHBondContact O-N 2.75Å; R84-S478 PolarHBondContact NH1-O 3.28Å; R84-S478 PolarHBondContact NH2-O 3.1Å
85	Y	97.4	Very high	95.5	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-46.8	177.4	172.1	-101.5	0	0	0	111.4	I81 E82 A87 V88 C89 V197 P208 L211 F214	I81-Y85 VanDerWaalsContact O-CB 3.26Å; I81-Y85 WeakPolarHBondContact O-CB 3.45Å; I81-Y85 PolarHBondContact O-N 3.4Å; E82-Y85 PolarHBondContact O-N 3.24Å; Y85-A87 VanDerWaalsContact C-N 3.27Å; Y85-A87 PolarHBondContact O-N 2.98Å; Y85-V88 PolarHBondContact O-N 3.46Å; Y85-C89 VanDerWaalsContact CE1-SG 3.55Å; Y85-C89 WeakPolarHBondContact CE2-SG 3.33Å; Y85-C89 WeakPolarHBondContact O-CB 3.13Å; Y85-C89 PolarHBondContact O-N 3.44Å; Y85-C89 PolarHBondContact O-SG 3.17Å; Y85-C89 PolarHBondContact OH-SG 3.41Å; Y85-V197 HydrophobicContact CD2-CG2 4.38Å; Y85-V197 HydrophobicContact CE2-CG2 4.21Å; Y85-P208 WeakPolarHBondContact CE1-O 3.28Å; Y85-P208 PolarHBondContact OH-O 3.38Å; Y85-L211 HydrophobicContact CD1-CB 3.97Å; Y85-L211 HydrophobicContact CD2-CB 4.49Å; Y85-L211 HydrophobicContact CD2-CD1 3.72Å; Y85-L211 HydrophobicContact CE1-CB 4.49Å; Y85-L211 HydrophobicContact CE2-CD1 4.33Å; Y85-L211 HydrophobicContact CG-CB 3.98Å; Y85-L211 HydrophobicContact CG-CD1 3.92Å; Y85-L211 HydrophobicContact CG-CG 4.49Å; Y85-F214 HydrophobicContact CD2-CD1 4.15Å; Y85-F214 HydrophobicContact CE2-CB 3.8Å; Y85-F214 AromaticContact CE2-CD1 3.47Å; Y85-F214 HydrophobicContact CE2-CD1 3.47Å; Y85-F214 VanDerWaalsContact CE2-CD1 3.47Å; Y85-F214 HydrophobicContact CE2-CD2 4.23Å; Y85-F214 HydrophobicContact CE2-CE1 4.03Å; Y85-F214 AromaticContact CE2-CG 3.58Å; Y85-F214 HydrophobicContact CE2-CG 3.58Å; Y85-F214 AromaticContact CZ-CG 3.97Å; Y85-F214 WeakPolarHBondContact OH-CB 3.38Å
86	K	97.3	Very high	95.8	Very high	108 Å²	108	46.1 Å²	46.1	47%	0.47	23%	0.225	S	C	.	.	H	α-helix	trans	-55.3	-40.6	173.5	-72.9	166.1	177.7	175.2	0	112.5	E82 E83 R84 C89 H90	E82-K86 WeakPolarHBondContact O-CG 3.19Å; E82-K86 PolarHBondContact O-N 3.28Å; E83-K86 VanDerWaalsContact CD-NZ 3.33Å; E83-K86 PolarHBondContact O-N 2.78Å; E83-K86 IonicContact OE1-NZ 3.71Å; E83-K86 PolarHBondContact OE1-NZ 2.97Å; E83-K86 WeakPolarHBondContact OE2-CD 3.46Å; E83-K86 IonicContact OE2-NZ 2.76Å; E83-K86 PolarHBondContact OE2-NZ 2.94Å; R84-K86 PolarHBondContact O-N 3.11Å; K86-C89 PolarHBondContact O-N 2.71Å; K86-H90 PolarHBondContact O-N 3.01Å
87	A	97.2	Very high	96.3	Very high	21 Å²	21	45 Å²	45	17%	0.174	22%	0.219	C	C	.	.	H	α-helix	trans	-66.3	-46.4	177.3	0	0	0	0	0	112.7	E83 R84 Y85 C89 H90 A91	E83-A87 PolarHBondContact O-N 3.43Å; R84-A87 WeakPolarHBondContact O-CB 3.33Å; R84-A87 PolarHBondContact O-N 2.79Å; R84-A87 VanDerWaalsContact O-N 3.14Å; Y85-A87 VanDerWaalsContact C-N 3.27Å; Y85-A87 PolarHBondContact O-N 2.98Å; A87-C89 VanDerWaalsContact C-N 3.29Å; A87-C89 PolarHBondContact O-N 2.9Å; A87-H90 PolarHBondContact O-N 3.04Å; A87-A91 PolarHBondContact O-N 2.7Å
88	V	97.4	Very high	96.6	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-38.7	174.4	-171.3	0	0	0	0	110.6	L76 R84 Y85 H90 A91 A92 I194 V197	L76-V88 HydrophobicContact CD2-CG2 3.74Å; R84-V88 WeakPolarHBondContact O-CG2 3.49Å; R84-V88 PolarHBondContact O-N 2.75Å; Y85-V88 PolarHBondContact O-N 3.46Å; V88-H90 PolarHBondContact O-N 2.85Å; V88-A91 WeakPolarHBondContact O-CB 3.46Å; V88-A91 PolarHBondContact O-N 3.47Å; V88-A92 WeakPolarHBondContact O-CB 3.41Å; V88-A92 PolarHBondContact O-N 2.96Å; V88-I194 HydrophobicContact CG1-CB 4.39Å; V88-I194 HydrophobicContact CG1-CG1 4.23Å; V88-I194 HydrophobicContact CG1-CG2 4.32Å; V88-I194 HydrophobicContact CG2-CG1 4.49Å; V88-V197 HydrophobicContact CB-CG1 4.24Å; V88-V197 HydrophobicContact CG1-CB 3.67Å; V88-V197 HydrophobicContact CG1-CG1 3.64Å; V88-V197 HydrophobicContact CG1-CG2 4.03Å
89	C	98.1	Very high	96.8	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.027	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-38.6	175.5	-71.1	0	0	0	0	113.2	Y85 K86 A87 R93 L207	Y85-C89 VanDerWaalsContact CE1-SG 3.55Å; Y85-C89 WeakPolarHBondContact CE2-SG 3.33Å; Y85-C89 WeakPolarHBondContact O-CB 3.13Å; Y85-C89 PolarHBondContact O-N 3.44Å; Y85-C89 PolarHBondContact O-SG 3.17Å; Y85-C89 PolarHBondContact OH-SG 3.41Å; K86-C89 PolarHBondContact O-N 2.71Å; A87-C89 VanDerWaalsContact C-N 3.29Å; A87-C89 PolarHBondContact O-N 2.9Å; C89-R93 WeakPolarHBondContact O-CB 3.44Å; C89-R93 VanDerWaalsContact O-CD 3.32Å; C89-R93 WeakPolarHBondContact O-CD 3.31Å; C89-R93 WeakPolarHBondContact O-CG 3.21Å; C89-R93 PolarHBondContact O-N 3.33Å; C89-R93 VanDerWaalsContact O-N 3.14Å; C89-L207 HydrophobicContact CB-CD1 3.98Å
90	H	97.2	Very high	97.1	Very high	116 Å²	116	33.5 Å²	33.5	54%	0.537	16%	0.161	S	C	.	.	H	α-helix	trans	-63.5	-44.2	172.5	176.2	84.4	0	0	0	110.9	K86 A87 V88 R93 T94	K86-H90 PolarHBondContact O-N 3.01Å; A87-H90 PolarHBondContact O-N 3.04Å; V88-H90 PolarHBondContact O-N 2.85Å; H90-R93 PolarHBondContact O-N 3.34Å; H90-T94 WeakPolarHBondContact O-CB 3.04Å; H90-T94 WeakPolarHBondContact O-CG2 3Å; H90-T94 PolarHBondContact O-N 2.95Å; H90-T94 PolarHBondContact O-OG1 3.41Å
91	A	97.6	Very high	97.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-59.3	-54.1	175	0	0	0	0	0	111.5	L70 A87 V88 R93 T94 R95 F198	L70-A91 WeakPolarHBondContact O-CB 3.43Å; A87-A91 PolarHBondContact O-N 2.7Å; V88-A91 WeakPolarHBondContact O-CB 3.46Å; V88-A91 PolarHBondContact O-N 3.47Å; A91-R93 VanDerWaalsContact C-N 3.26Å; A91-R93 PolarHBondContact O-N 3.08Å; A91-T94 PolarHBondContact O-N 3.19Å; A91-T94 PolarHBondContact O-OG1 3.06Å; A91-T94 VanDerWaalsContact O-OG1 3.1Å; A91-R95 WeakPolarHBondContact O-CB 3.43Å; A91-R95 VanDerWaalsContact O-CD 3.31Å; A91-R95 WeakPolarHBondContact O-CD 3.5Å; A91-R95 PolarHBondContact O-N 3.28Å; A91-F198 HydrophobicContact CB-CE2 4.14Å; A91-F198 HydrophobicContact CB-CZ 4.2Å
92	A	98.1	Very high	97.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.2	-26.2	-177.8	0	0	0	0	0	114.9	V88 V197 F198 Q201 L207	V88-A92 WeakPolarHBondContact O-CB 3.41Å; V88-A92 PolarHBondContact O-N 2.96Å; A92-V197 HydrophobicContact CB-CG1 3.83Å; A92-F198 HydrophobicContact CB-CD1 4.27Å; A92-F198 HydrophobicContact CB-CD2 3.65Å; A92-F198 HydrophobicContact CB-CE1 4.47Å; A92-F198 HydrophobicContact CB-CE2 3.86Å; A92-F198 HydrophobicContact CB-CG 3.89Å; A92-F198 HydrophobicContact CB-CZ 4.29Å; A92-Q201 HydrophobicContact CB-CB 3.96Å; A92-Q201 HydrophobicContact CB-CG 4.21Å; A92-Q201 WeakPolarHBondContact O-CG 3.23Å; A92-L207 HydrophobicContact CB-CD1 3.86Å
93	R	97.6	Very high	97.7	Very high	100 Å²	100	25 Å²	25	38%	0.377	12%	0.116	S	C	.	.	H	α-helix	trans	-78.9	-28.3	174.9	-73.1	167	-178.6	174.3	-1.2	113	C89 H90 A91 K160 Q201 L207	C89-R93 WeakPolarHBondContact O-CB 3.44Å; C89-R93 VanDerWaalsContact O-CD 3.32Å; C89-R93 WeakPolarHBondContact O-CD 3.31Å; C89-R93 WeakPolarHBondContact O-CG 3.21Å; C89-R93 PolarHBondContact O-N 3.33Å; C89-R93 VanDerWaalsContact O-N 3.14Å; H90-R93 PolarHBondContact O-N 3.34Å; A91-R93 VanDerWaalsContact C-N 3.26Å; A91-R93 PolarHBondContact O-N 3.08Å; R93-K160 PolarHBondContact O-NZ 3.44Å; R93-Q201 HydrophobicContact CB-CG 4.5Å; R93-Q201 HydrophobicContact CG-CG 3.87Å; R93-Q201 VanDerWaalsContact CG-OE1 3.27Å; R93-L207 PolarHBondContact NH2-O 2.67Å
94	T	97.4	Very high	97.9	Very high	35 Å²	35	21.1 Å²	21.1	22%	0.215	10%	0.098	C	C	.	.	H	α-helix	trans	-104.4	-30.9	-171.4	52.1	0	0	0	0	113.4	H90 A91 Y131 V132	H90-T94 WeakPolarHBondContact O-CB 3.04Å; H90-T94 WeakPolarHBondContact O-CG2 3Å; H90-T94 PolarHBondContact O-N 2.95Å; H90-T94 PolarHBondContact O-OG1 3.41Å; A91-T94 PolarHBondContact O-N 3.19Å; A91-T94 PolarHBondContact O-OG1 3.06Å; A91-T94 VanDerWaalsContact O-OG1 3.1Å; T94-Y131 CarbonylContact O-C 3.49Å; T94-Y131 VanDerWaalsContact O-CA 3.24Å; T94-Y131 WeakPolarHBondContact O-CA 3.29Å; T94-V132 PolarHBondContact O-N 3.38Å
95	R	97.9	Very high	97.9	Very high	31 Å²	31	20.8 Å²	20.8	12%	0.117	10%	0.097	C	C	.	.	S	Bend	trans	-94.3	175.3	173.6	-71.3	106.9	176.9	110	1.5	111.2	S68 G69 A91 V132 E134 F198	S68-R95 WeakPolarHBondContact OG-CA 3.32Å; S68-R95 WeakPolarHBondContact OG-CB 3.46Å; G69-R95 WeakPolarHBondContact O-CD 3.47Å; G69-R95 WeakPolarHBondContact O-CG 3.42Å; A91-R95 WeakPolarHBondContact O-CB 3.43Å; A91-R95 VanDerWaalsContact O-CD 3.31Å; A91-R95 WeakPolarHBondContact O-CD 3.5Å; A91-R95 PolarHBondContact O-N 3.28Å; R95-V132 HydrophobicContact CG-CB 4.4Å; R95-E134 IonicContact CZ-OE1 2.83Å; R95-E134 IonicContact NE-OE1 2.65Å; R95-E134 PolarHBondContact NE-OE1 3.28Å; R95-E134 IonicContact NH2-OE1 3.21Å; R95-E134 PolarHBondContact NH2-OE1 3.12Å; R95-F198 HydrophobicContact CB-CE1 3.8Å; R95-F198 HydrophobicContact CB-CZ 3.91Å
96	S	97.5	Very high	97.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.111	C	C	.	.			trans	-125.2	163.6	179.4	57.8	0	0	0	0	112	S68 Y131 Y158	S68-S96 WeakPolarHBondContact CB-OG 3.19Å; S68-S96 PolarHBondContact N-O 3.41Å; S68-S96 PolarHBondContact OG-N 2.86Å; S68-S96 PolarHBondContact OG-OG 2.94Å; S96-Y131 WeakPolarHBondContact OG-CD2 3.32Å; S96-Y131 VanDerWaalsContact OG-CE2 3.23Å; S96-Y131 WeakPolarHBondContact OG-CE2 3.49Å; S96-Y158 WeakPolarHBondContact CB-OH 3.46Å
97	I	98.4	Very high	97.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.5	166.2	-58.3	174	0	0	0	107	T65 L67 S99 L125 Y158 F198 L199 N202 F203	T65-I97 HydrophobicContact CG2-CD1 4.37Å; T65-I97 HydrophobicContact CG2-CG2 4.2Å; L67-I97 HydrophobicContact CD2-CB 4.26Å; L67-I97 HydrophobicContact CD2-CG1 3.7Å; L67-I97 HydrophobicContact CD2-CG2 4.45Å; I97-S99 VanDerWaalsContact CG2-O 3.26Å; I97-S99 WeakPolarHBondContact CG2-O 3.48Å; I97-L125 HydrophobicContact CB-CD1 4.49Å; I97-L125 HydrophobicContact CG2-CD1 3.99Å; I97-Y158 PolarHBondContact N-OH 3.22Å; I97-F198 HydrophobicContact CD1-CB 4.14Å; I97-F198 HydrophobicContact CG1-CB 4.21Å; I97-F198 HydrophobicContact CG1-CD1 4.05Å; I97-L199 HydrophobicContact CD1-CD2 4.43Å; I97-N202 HydrophobicContact CD1-CB 3.73Å; I97-N202 HydrophobicContact CG1-CB 4.22Å; I97-F203 HydrophobicContact CB-CZ 4.12Å; I97-F203 HydrophobicContact CD1-CD2 4.3Å; I97-F203 HydrophobicContact CD1-CE1 4.33Å; I97-F203 HydrophobicContact CD1-CE2 3.48Å; I97-F203 VanDerWaalsContact CD1-CE2 3.48Å; I97-F203 HydrophobicContact CD1-CZ 3.47Å; I97-F203 VanDerWaalsContact CD1-CZ 3.47Å; I97-F203 HydrophobicContact CG1-CZ 4.34Å; I97-F203 HydrophobicContact CG2-CZ 4.21Å
98	L	98.1	Very high	97.6	Very high	1 Å²	1	22 Å²	22	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-34.6	-177.8	-53.5	174.8	0	0	0	111.8	E66 L125 L141 F146 F148	E66-L98 HydrophobicContact CB-CB 4.34Å; E66-L98 PolarHBondContact O-N 2.83Å; L98-L125 PolarHBondContact O-N 3.39Å; L98-L141 HydrophobicContact CD1-CD1 3.52Å; L98-F146 HydrophobicContact CB-CE1 4.43Å; L98-F146 HydrophobicContact CB-CE2 3.99Å; L98-F146 HydrophobicContact CB-CZ 3.61Å; L98-F148 HydrophobicContact CD1-CE1 3.88Å; L98-F148 HydrophobicContact CD1-CZ 4.06Å
99	S	98.1	Very high	97.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	147.7	171.3	-171	0	0	0	0	110.8	E66 I97 N122 L123	E66-S99 PolarHBondContact N-O 2.85Å; E66-S99 PolarHBondContact O-N 2.96Å; I97-S99 VanDerWaalsContact CG2-O 3.26Å; I97-S99 WeakPolarHBondContact CG2-O 3.48Å; S99-N122 VanDerWaalsContact OG-CG 3.25Å; S99-N122 PolarHBondContact OG-ND2 2.97Å; S99-N122 VanDerWaalsContact OG-ND2 3.11Å; S99-N122 PolarHBondContact OG-OD1 3.31Å; S99-L123 CarbonylContact C-O 3.57Å; S99-L123 VanDerWaalsContact CA-O 3.28Å; S99-L123 WeakPolarHBondContact CA-O 3.25Å; S99-L123 PolarHBondContact OG-O 3.16Å
100	L	98.8	Very high	96.7	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.3	175.8	172.1	66.4	0	0	0	109.8	V63 T65 L102 L123 L125 V173 L199 F203	V63-L100 HydrophobicContact CG1-CD1 3.66Å; T65-L100 HydrophobicContact CG2-CD1 3.82Å; L100-L102 HydrophobicContact CD1-CD2 4.37Å; L100-L102 HydrophobicContact CD2-CD2 4.31Å; L100-L102 HydrophobicContact CD2-CG 4.46Å; L100-L102 HydrophobicContact CG-CD2 4.21Å; L100-L102 HydrophobicContact CG-CG 4.26Å; L100-L123 HydrophobicContact CB-CB 4.27Å; L100-L123 HydrophobicContact CD2-CD2 4.48Å; L100-L123 PolarHBondContact N-O 2.95Å; L100-L123 PolarHBondContact O-N 3.46Å; L100-L125 HydrophobicContact CB-CD1 3.88Å; L100-V173 HydrophobicContact CD2-CG2 4.02Å; L100-L199 HydrophobicContact CD1-CD2 3.75Å; L100-F203 HydrophobicContact CD1-CE2 4.5Å; L100-F203 HydrophobicContact CD2-CE2 3.94Å
101	G	98.6	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.8	173.6	0	0	0	0	0	111.8	V63 D64 A439	V63-G101 WeakPolarHBondContact CA-O 3.23Å; D64-G101 PolarHBondContact N-O 3.17Å; D64-G101 PolarHBondContact O-N 3.38Å; G101-A439 VanDerWaalsContact CA-C 3.43Å; G101-A439 WeakPolarHBondContact CA-O 3.3Å
102	L	98.6	Very high	95.6	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	114.6	174.1	-60.6	175.4	0	0	0	109.5	L51 I55 V63 L100 V120 F121 L123 L176	L51-L102 HydrophobicContact CD2-CD1 4.35Å; I55-L102 HydrophobicContact CD1-CD1 4.49Å; V63-L102 HydrophobicContact CG1-CD2 4.41Å; V63-L102 HydrophobicContact CG2-CD2 3.9Å; L100-L102 HydrophobicContact CD1-CD2 4.37Å; L100-L102 HydrophobicContact CD2-CD2 4.31Å; L100-L102 HydrophobicContact CD2-CG 4.46Å; L100-L102 HydrophobicContact CG-CD2 4.21Å; L100-L102 HydrophobicContact CG-CG 4.26Å; L102-V120 WeakPolarHBondContact O-CA 3.04Å; L102-F121 HydrophobicContact CB-CB 4.43Å; L102-F121 PolarHBondContact N-O 2.85Å; L102-F121 PolarHBondContact O-N 3.04Å; L102-L123 HydrophobicContact CD1-CD1 3.99Å; L102-L123 HydrophobicContact CD1-CD2 4.45Å; L102-L123 HydrophobicContact CG-CD1 4.49Å; L102-L176 HydrophobicContact CD1-CD2 3.96Å
103	A	98.7	Very high	94.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	108.9	173.9	0	0	0	0	0	110.5	A62 F105 V120 A443 F444	A62-A103 HydrophobicContact CB-CB 4.34Å; A62-A103 PolarHBondContact N-O 3.38Å; A62-A103 PolarHBondContact O-N 3.15Å; A103-F105 HydrophobicContact CB-CD2 4.39Å; A103-F105 HydrophobicContact CB-CE2 3.79Å; A103-V120 HydrophobicContact CB-CG1 4.39Å; A103-V120 HydrophobicContact CB-CG2 4.31Å; A103-A443 HydrophobicContact CB-CB 4.1Å; A103-A443 WeakPolarHBondContact CB-O 3.44Å; A103-F444 HydrophobicContact CB-CB 4.27Å
104	C	98.8	Very high	94.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.7	-176	-66.5	0	0	0	0	110.2	A54 A58 Q119	A54-C104 HydrophobicContact CB-CB 3.83Å; A58-C104 HydrophobicContact CB-CB 4.07Å; C104-Q119 HydrophobicContact CB-CB 4.42Å; C104-Q119 PolarHBondContact N-O 3.31Å; C104-Q119 PolarHBondContact O-N 3.3Å
105	F	98.3	Very high	94.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	112.1	-177.1	-76.8	-104.4	0	0	0	110.7	N59 F60 A103 Y116 A118 L268 F444	N59-F105 PolarHBondContact N-O 3.41Å; F60-F105 HydrophobicContact CD1-CB 4.04Å; F60-F105 HydrophobicContact CD2-CB 4.27Å; F60-F105 HydrophobicContact CD2-CD2 4.38Å; F60-F105 HydrophobicContact CE1-CB 3.48Å; F60-F105 VanDerWaalsContact CE1-CB 3.48Å; F60-F105 HydrophobicContact CE1-CD1 4.47Å; F60-F105 AromaticContact CE1-CG 4Å; F60-F105 HydrophobicContact CE1-CG 4Å; F60-F105 HydrophobicContact CE2-CB 3.75Å; F60-F105 HydrophobicContact CE2-CD1 4.49Å; F60-F105 AromaticContact CE2-CD2 3.49Å; F60-F105 HydrophobicContact CE2-CD2 3.49Å; F60-F105 VanDerWaalsContact CE2-CD2 3.49Å; F60-F105 HydrophobicContact CE2-CE2 4.2Å; F60-F105 AromaticContact CE2-CG 3.67Å; F60-F105 HydrophobicContact CE2-CG 3.67Å; F60-F105 HydrophobicContact CG-CB 4.41Å; F60-F105 HydrophobicContact CZ-CB 3.32Å; F60-F105 AromaticContact CZ-CD1 3.82Å; F60-F105 HydrophobicContact CZ-CD1 3.82Å; F60-F105 AromaticContact CZ-CD2 3.65Å; F60-F105 HydrophobicContact CZ-CD2 3.65Å; F60-F105 HydrophobicContact CZ-CE2 4.4Å; F60-F105 AromaticContact CZ-CG 3.32Å; F60-F105 HydrophobicContact CZ-CG 3.32Å; F60-F105 PolarHBondContact O-N 3.04Å; F60-F105 VanDerWaalsContact O-N 3.16Å; A103-F105 HydrophobicContact CB-CD2 4.39Å; A103-F105 HydrophobicContact CB-CE2 3.79Å; F105-Y116 HydrophobicContact CB-CD1 3.84Å; F105-Y116 HydrophobicContact CB-CE1 4.21Å; F105-Y116 HydrophobicContact CD1-CD1 4.43Å; F105-Y116 HydrophobicContact CD1-CG 4.5Å; F105-A118 HydrophobicContact CD1-CB 4.2Å; F105-A118 HydrophobicContact CE1-CB 4Å; F105-A118 HydrophobicContact CZ-CB 4.28Å; F105-L268 HydrophobicContact CD1-CD2 4.29Å; F105-L268 HydrophobicContact CE1-CD1 4.37Å; F105-L268 HydrophobicContact CE1-CD2 3.99Å; F105-F444 HydrophobicContact CE1-CE2 4.48Å; F105-F444 AromaticContact CZ-CD2 3.85Å; F105-F444 HydrophobicContact CZ-CD2 3.85Å; F105-F444 HydrophobicContact CZ-CE2 4.06Å
106	K	97.4	Very high	94.2	Very high	75 Å²	75	35 Å²	35	33%	0.326	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	114.7	178.6	176.5	-175	177.2	-171	0	110.8	T57 Q108 Y116 L117	T57-K106 WeakPolarHBondContact O-CG 3.47Å; K106-Q108 PolarHBondContact O-NE2 2.93Å; K106-Y116 WeakPolarHBondContact O-CA 3.48Å; K106-L117 PolarHBondContact N-O 3.36Å; K106-L117 PolarHBondContact O-N 3.4Å
107	R	94.8	Very high	94.2	Very high	53 Å²	53	36.3 Å²	36.3	20%	0.2	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	145.6	177.8	-163.8	175.3	-64.3	-151.1	13.3	111.1	N59 P109 E113 S115 Y116 E454	N59-R107 WeakPolarHBondContact OD1-CB 3.49Å; N59-R107 PolarHBondContact OD1-N 3.42Å; R107-P109 WeakPolarHBondContact O-CD 3.4Å; R107-E113 VanDerWaalsContact CD-O 3.3Å; R107-E113 WeakPolarHBondContact CD-O 3.33Å; R107-E113 PolarHBondContact NH1-O 2.96Å; R107-S115 CarbonylContact C-O 3.47Å; R107-S115 WeakPolarHBondContact CA-O 3.46Å; R107-S115 WeakPolarHBondContact CG-O 3.4Å; R107-Y116 HydrophobicContact CB-CD1 4.16Å; R107-Y116 HydrophobicContact CB-CE1 4Å; R107-Y116 PolarHBondContact NE-OH 2.64Å; R107-Y116 PolarHBondContact NH2-OH 2.73Å; R107-E454 IonicContact CZ-OE1 3.58Å; R107-E454 IonicContact CZ-OE2 3.67Å; R107-E454 IonicContact NH1-OE1 2.69Å; R107-E454 IonicContact NH2-OE1 2.79Å; R107-E454 PolarHBondContact NH2-OE1 3.46Å; R107-E454 IonicContact NH2-OE2 3.16Å; R107-E454 PolarHBondContact NH2-OE2 3.33Å
108	Q	93.4	Very high	94.2	Very high	32 Å²	32	36.3 Å²	36.3	15%	0.15	19%	0.188	C	C	.	.			trans	-118.7	79.3	179.3	-57	-58.5	-63	0	0	109	K106 D110 K111 G112 S115 L117	K106-Q108 PolarHBondContact O-NE2 2.93Å; Q108-D110 PolarHBondContact O-N 3.38Å; Q108-K111 HydrophobicContact CB-CB 4.1Å; Q108-K111 HydrophobicContact CB-CD 4.3Å; Q108-K111 HydrophobicContact CB-CG 4.32Å; Q108-K111 WeakPolarHBondContact O-CA 3.48Å; Q108-K111 PolarHBondContact O-N 3.03Å; Q108-G112 PolarHBondContact O-N 3.4Å; Q108-S115 PolarHBondContact N-O 3.27Å; Q108-L117 HydrophobicContact CG-CB 4.09Å
109	P	87.7	Confident	94.2	Very high	93 Å²	93	37.1 Å²	37.1	60%	0.604	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-56.4	-36.6	-172.7	-25.2	35.4	0	0	0	113.3	R107 K111 G112	R107-P109 WeakPolarHBondContact O-CD 3.4Å; P109-K111 PolarHBondContact O-N 2.96Å; P109-K111 VanDerWaalsContact O-N 3.08Å; P109-G112 PolarHBondContact O-N 3.44Å
110	D	88.6	Confident	94.2	Very high	157 Å²	157	37.1 Å²	37.1	84%	0.84	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-63.7	-13.4	178.3	-42.4	-72	0	0	0	113.4	Q108	Q108-D110 PolarHBondContact O-N 3.38Å
111	K	86.8	Confident	94.2	Very high	116 Å²	116	37 Å²	37	50%	0.504	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-114.1	9.7	178.1	-58.7	-174.4	178.8	-177.1	0	112.8	Q108 P109 S115 E269	Q108-K111 HydrophobicContact CB-CB 4.1Å; Q108-K111 HydrophobicContact CB-CD 4.3Å; Q108-K111 HydrophobicContact CB-CG 4.32Å; Q108-K111 WeakPolarHBondContact O-CA 3.48Å; Q108-K111 PolarHBondContact O-N 3.03Å; P109-K111 PolarHBondContact O-N 2.96Å; P109-K111 VanDerWaalsContact O-N 3.08Å; K111-S115 WeakPolarHBondContact O-CB 3.46Å; K111-S115 PolarHBondContact O-OG 3.12Å; K111-E269 WeakPolarHBondContact CD-OE1 2.97Å; K111-E269 WeakPolarHBondContact CD-OE2 3.26Å; K111-E269 IonicContact NZ-OE1 2.67Å; K111-E269 PolarHBondContact NZ-OE1 2.89Å; K111-E269 IonicContact NZ-OE2 2.66Å; K111-E269 PolarHBondContact NZ-OE2 3.03Å
112	G	83.6	Confident	94.2	Very high	32 Å²	32	37.2 Å²	37.2	33%	0.33	19%	0.192	S	C	.	.			trans	114.7	156.3	177.9	0	0	0	0	0	114.6	Q108 P109 H114 S115	Q108-G112 PolarHBondContact O-N 3.4Å; P109-G112 PolarHBondContact O-N 3.44Å; G112-H114 PolarHBondContact O-N 3.09Å; G112-S115 WeakPolarHBondContact O-CB 3.21Å; G112-S115 PolarHBondContact O-N 3.19Å; G112-S115 VanDerWaalsContact O-N 3.16Å
113	E	82.1	Confident	94.2	Very high	127 Å²	127	37 Å²	37	59%	0.593	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.4	-172.2	-172.4	175	174.6	0	0	114.3	R107	R107-E113 VanDerWaalsContact CD-O 3.3Å; R107-E113 WeakPolarHBondContact CD-O 3.33Å; R107-E113 PolarHBondContact NH1-O 2.96Å
114	H	89.6	Confident	94.1	Very high	24 Å²	24	37.4 Å²	37.4	11%	0.111	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	24	-178.6	-50.1	-47.7	0	0	0	112.6	G112 T267 V455	G112-H114 PolarHBondContact O-N 3.09Å; H114-T267 PolarHBondContact O-N 2.75Å; H114-T267 VanDerWaalsContact O-N 3.1Å; H114-V455 HydrophobicContact CB-CG2 3.73Å
115	S	94.4	Very high	94.1	Very high	11 Å²	11	37.3 Å²	37.3	8%	0.077	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	130	176	-67.7	0	0	0	0	110.6	R107 Q108 K111 G112 T267	R107-S115 CarbonylContact C-O 3.47Å; R107-S115 WeakPolarHBondContact CA-O 3.46Å; R107-S115 WeakPolarHBondContact CG-O 3.4Å; Q108-S115 PolarHBondContact N-O 3.27Å; K111-S115 WeakPolarHBondContact O-CB 3.46Å; K111-S115 PolarHBondContact O-OG 3.12Å; G112-S115 WeakPolarHBondContact O-CB 3.21Å; G112-S115 PolarHBondContact O-N 3.19Å; G112-S115 VanDerWaalsContact O-N 3.16Å; S115-T267 CarbonylContact C-O 3.52Å; S115-T267 WeakPolarHBondContact CA-O 3.48Å
116	Y	96.4	Very high	94.1	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.1	-176.8	-78.6	-95.8	0	0	0	112.2	N59 F60 F105 K106 R107 L266 T267 L268 E269 A451 E454	N59-Y116 HydrophobicContact CB-CE1 4.28Å; F60-Y116 HydrophobicContact CD1-CE1 4.29Å; F60-Y116 HydrophobicContact CE1-CD1 4.49Å; F60-Y116 AromaticContact CE1-CE1 3.79Å; F60-Y116 HydrophobicContact CE1-CE1 3.79Å; F105-Y116 HydrophobicContact CB-CD1 3.84Å; F105-Y116 HydrophobicContact CB-CE1 4.21Å; F105-Y116 HydrophobicContact CD1-CD1 4.43Å; F105-Y116 HydrophobicContact CD1-CG 4.5Å; K106-Y116 WeakPolarHBondContact O-CA 3.48Å; R107-Y116 HydrophobicContact CB-CD1 4.16Å; R107-Y116 HydrophobicContact CB-CE1 4Å; R107-Y116 PolarHBondContact NE-OH 2.64Å; R107-Y116 PolarHBondContact NH2-OH 2.73Å; Y116-L266 HydrophobicContact CD2-CD1 3.8Å; Y116-L266 HydrophobicContact CE2-CD1 4.31Å; Y116-T267 PolarHBondContact N-O 3.11Å; Y116-L268 CarbonylContact O-C 3.53Å; Y116-L268 WeakPolarHBondContact O-CA 3.26Å; Y116-E269 PolarHBondContact O-N 2.72Å; Y116-A451 HydrophobicContact CE2-CB 4.45Å; Y116-E454 PolarHBondContact OH-OE2 2.94Å
117	L	97.4	Very high	94.1	Very high	28 Å²	28	35.3 Å²	35.3	15%	0.147	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	116.5	160.3	175.6	64.5	0	0	0	108.3	K106 Q108 E269	K106-L117 PolarHBondContact N-O 3.36Å; K106-L117 PolarHBondContact O-N 3.4Å; Q108-L117 HydrophobicContact CG-CB 4.09Å; L117-E269 WeakPolarHBondContact CA-O 3.48Å; L117-E269 HydrophobicContact CD1-CB 4.37Å
118	A	97.8	Very high	94.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134	173	0	0	0	0	0	110.3	F105 E269 F270 F444	F105-A118 HydrophobicContact CD1-CB 4.2Å; F105-A118 HydrophobicContact CE1-CB 4Å; F105-A118 HydrophobicContact CZ-CB 4.28Å; A118-E269 PolarHBondContact N-O 2.8Å; A118-F270 HydrophobicContact CB-CD1 3.97Å; A118-F270 HydrophobicContact CB-CE1 3.72Å; A118-F444 HydrophobicContact CB-CE2 4.28Å
119	Q	98.3	Very high	94.2	Very high	19 Å²	19	38.8 Å²	38.8	9%	0.089	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.2	172.7	-71.7	174.8	96.9	0	0	108.5	A54 C104 F121 C271	A54-Q119 HydrophobicContact CB-CB 4.14Å; C104-Q119 HydrophobicContact CB-CB 4.42Å; C104-Q119 PolarHBondContact N-O 3.31Å; C104-Q119 PolarHBondContact O-N 3.3Å; Q119-F121 HydrophobicContact CB-CE2 3.95Å; Q119-F121 HydrophobicContact CB-CZ 4.34Å; Q119-C271 VanDerWaalsContact CG-SG 3.59Å
120	V	98.4	Very high	94.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.3	-168.5	-169.6	0	0	0	0	109.7	V34 V36 V37 L102 A103 G440 F444	V34-V120 HydrophobicContact CG1-CG2 4.02Å; V36-V120 HydrophobicContact CB-CG1 4.46Å; V36-V120 HydrophobicContact CG1-CG1 4.25Å; V36-V120 HydrophobicContact CG2-CG1 3.99Å; V37-V120 PolarHBondContact N-O 3.09Å; L102-V120 WeakPolarHBondContact O-CA 3.04Å; A103-V120 HydrophobicContact CB-CG1 4.39Å; A103-V120 HydrophobicContact CB-CG2 4.31Å; V120-G440 WeakPolarHBondContact CG1-O 2.91Å; V120-F444 HydrophobicContact CG1-CB 4.02Å; V120-F444 HydrophobicContact CG2-CB 3.96Å; V120-F444 HydrophobicContact CG2-CD2 3.73Å; V120-F444 HydrophobicContact CG2-CG 4.19Å
121	F	98.5	Very high	95	Very high	3 Å²	3	37.9 Å²	37.9	1%	0.013	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.5	-179.2	-51.4	-95.4	0	0	0	110.2	V37 V39 M47 L51 A54 L102 Q119 L123	V37-F121 HydrophobicContact CB-CD1 3.86Å; V37-F121 HydrophobicContact CB-CE1 4.36Å; V37-F121 HydrophobicContact CG1-CD1 4.32Å; V37-F121 HydrophobicContact CG2-CD1 4.39Å; V37-F121 HydrophobicContact CG2-CE1 4.47Å; V37-F121 CarbonylContact O-C 3.51Å; V37-F121 VanDerWaalsContact O-CA 3.31Å; V37-F121 WeakPolarHBondContact O-CA 3.34Å; V39-F121 HydrophobicContact CG2-CB 4.31Å; V39-F121 HydrophobicContact CG2-CD1 4.06Å; M47-F121 HydrophobicContact CE-CE1 3.99Å; L51-F121 HydrophobicContact CD2-CB 4.01Å; L51-F121 HydrophobicContact CD2-CD1 3.54Å; L51-F121 HydrophobicContact CD2-CD2 3.84Å; L51-F121 HydrophobicContact CD2-CE1 3.87Å; L51-F121 HydrophobicContact CD2-CE2 4.15Å; L51-F121 HydrophobicContact CD2-CG 3.52Å; L51-F121 HydrophobicContact CD2-CZ 4.16Å; L51-F121 HydrophobicContact CG-CD1 4.29Å; L51-F121 HydrophobicContact CG-CE1 4.27Å; A54-F121 HydrophobicContact CB-CE2 3.76Å; A54-F121 HydrophobicContact CB-CZ 4.07Å; L102-F121 HydrophobicContact CB-CB 4.43Å; L102-F121 PolarHBondContact N-O 2.85Å; L102-F121 PolarHBondContact O-N 3.04Å; Q119-F121 HydrophobicContact CB-CE2 3.95Å; Q119-F121 HydrophobicContact CB-CZ 4.34Å; F121-L123 HydrophobicContact CB-CD1 3.84Å
122	N	98.2	Very high	95.5	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	107.7	168.5	-179	90.4	0	0	0	108.5	V36 V37 D38 V39 S99 R438 G440	V36-N122 HydrophobicContact CG1-CB 3.71Å; V37-N122 PolarHBondContact O-N 3.17Å; D38-N122 PolarHBondContact OD1-ND2 3.43Å; D38-N122 VanDerWaalsContact OD1-ND2 3.15Å; V39-N122 PolarHBondContact N-O 3.33Å; S99-N122 VanDerWaalsContact OG-CG 3.25Å; S99-N122 PolarHBondContact OG-ND2 2.97Å; S99-N122 VanDerWaalsContact OG-ND2 3.11Å; S99-N122 PolarHBondContact OG-OD1 3.31Å; N122-R438 PolarHBondContact ND2-NH2 3.07Å; N122-G440 PolarHBondContact OD1-N 3.2Å
123	L	98.5	Very high	96.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	111.1	178.5	-79.2	67.4	0	0	0	109.2	V39 F44 L51 S99 L100 L102 F121 L125 I156 L176	V39-L123 HydrophobicContact CB-CD1 4.13Å; V39-L123 HydrophobicContact CB-CG 3.99Å; V39-L123 HydrophobicContact CG1-CG 4.31Å; V39-L123 HydrophobicContact CG2-CD1 4.23Å; V39-L123 WeakPolarHBondContact O-CA 3.34Å; F44-L123 HydrophobicContact CE2-CD2 4.09Å; L51-L123 HydrophobicContact CD2-CD1 4.17Å; S99-L123 CarbonylContact C-O 3.57Å; S99-L123 VanDerWaalsContact CA-O 3.28Å; S99-L123 WeakPolarHBondContact CA-O 3.25Å; S99-L123 PolarHBondContact OG-O 3.16Å; L100-L123 HydrophobicContact CB-CB 4.27Å; L100-L123 HydrophobicContact CD2-CD2 4.48Å; L100-L123 PolarHBondContact N-O 2.95Å; L100-L123 PolarHBondContact O-N 3.46Å; L102-L123 HydrophobicContact CD1-CD1 3.99Å; L102-L123 HydrophobicContact CD1-CD2 4.45Å; L102-L123 HydrophobicContact CG-CD1 4.49Å; F121-L123 HydrophobicContact CB-CD1 3.84Å; L123-L125 HydrophobicContact CB-CD2 3.98Å; L123-L125 WeakPolarHBondContact O-CG 3.24Å; L123-I156 HydrophobicContact CB-CD1 4.23Å; L123-I156 HydrophobicContact CD2-CD1 4.4Å; L123-I156 HydrophobicContact CG-CD1 4.22Å; L123-L176 HydrophobicContact CD2-CD2 3.53Å
124	T	98.1	Very high	96.8	Very high	8 Å²	8	33 Å²	33	5%	0.049	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	123.7	172.6	-56.9	0	0	0	0	109.1	V39 Q151 G155 I156	V39-T124 PolarHBondContact O-N 3.34Å; T124-Q151 HydrophobicContact CG2-CB 4Å; T124-Q151 HydrophobicContact CG2-CG 3.9Å; T124-G155 WeakPolarHBondContact O-CA 3.4Å; T124-I156 WeakPolarHBondContact O-CG1 3.43Å; T124-I156 PolarHBondContact O-N 2.99Å
125	L	98.3	Very high	97	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	153.5	-169.6	-56.9	-174.6	0	0	0	112.6	I97 L98 L100 L123 Q151 I156 Y158 V173 F203	I97-L125 HydrophobicContact CB-CD1 4.49Å; I97-L125 HydrophobicContact CG2-CD1 3.99Å; L98-L125 PolarHBondContact O-N 3.39Å; L100-L125 HydrophobicContact CB-CD1 3.88Å; L123-L125 HydrophobicContact CB-CD2 3.98Å; L123-L125 WeakPolarHBondContact O-CG 3.24Å; L125-Q151 VanDerWaalsContact O-CG 3.24Å; L125-Q151 WeakPolarHBondContact O-CG 3.26Å; L125-Q151 PolarHBondContact O-NE2 2.87Å; L125-I156 HydrophobicContact CD2-CB 3.86Å; L125-I156 HydrophobicContact CD2-CD1 4.12Å; L125-I156 HydrophobicContact CD2-CG2 4.46Å; L125-Y158 HydrophobicContact CB-CD1 4.15Å; L125-Y158 HydrophobicContact CB-CE1 4.09Å; L125-V173 HydrophobicContact CD1-CG2 4.2Å; L125-V173 HydrophobicContact CD2-CB 4.37Å; L125-V173 HydrophobicContact CD2-CG2 4.15Å; L125-F203 HydrophobicContact CD1-CE1 3.91Å; L125-F203 HydrophobicContact CD1-CE2 4.27Å; L125-F203 HydrophobicContact CD1-CZ 3.32Å
126	L	97.8	Very high	96.8	Very high	27 Å²	27	44 Å²	44	14%	0.141	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	117.1	173.9	-176.3	60.2	0	0	0	110.5	M128 Y152 I156 P157 Y158	L126-M128 HydrophobicContact CD2-SD 4.07Å; L126-M128 HydrophobicContact CG-SD 4.05Å; L126-Y152 HydrophobicContact CD1-CD1 3.79Å; L126-Y152 HydrophobicContact CD1-CE1 3.95Å; L126-I156 PolarHBondContact N-O 3.49Å; L126-P157 CarbonylContact O-C 3.58Å; L126-P157 WeakPolarHBondContact O-CA 3.49Å; L126-Y158 WeakPolarHBondContact O-CD1 3.31Å; L126-Y158 PolarHBondContact O-N 3.24Å
127	C	97.4	Very high	96.6	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.041	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125.7	172.6	-169.8	0	0	0	0	109.6	E129 Y131 Y158	C127-E129 VanDerWaalsContact C-N 3.3Å; C127-E129 PolarHBondContact O-N 3.3Å; C127-Y131 HydrophobicContact CB-CD1 3.73Å; C127-Y131 HydrophobicContact CB-CE1 3.91Å; C127-Y158 HydrophobicContact CB-CD1 4.47Å; C127-Y158 HydrophobicContact CB-CE1 3.74Å; C127-Y158 HydrophobicContact CB-CE2 4.27Å
128	M	96.3	Very high	96.3	Very high	103 Å²	103	45.1 Å²	45.1	51%	0.507	23%	0.229	S	C	.	.	S	Bend	trans	-91.1	13.8	-177.2	-58.3	-55.6	-59.7	0	0	113.4	L126 P157 Y158	L126-M128 HydrophobicContact CD2-SD 4.07Å; L126-M128 HydrophobicContact CG-SD 4.05Å; M128-P157 HydrophobicContact CG-CB 3.68Å; M128-P157 HydrophobicContact SD-CB 3.77Å; M128-Y158 PolarHBondContact N-O 3.5Å
129	E	94.4	Very high	96	Very high	55 Å²	55	50.5 Å²	50.5	26%	0.257	25%	0.254	S	S	.	.	S	Bend	trans	-119.7	165.5	176	-64.2	177.5	-149	0	0	109.9	C127 Y131 H159 K160 K164	C127-E129 VanDerWaalsContact C-N 3.3Å; C127-E129 PolarHBondContact O-N 3.3Å; E129-Y131 VanDerWaalsContact O-CD1 3.29Å; E129-Y131 WeakPolarHBondContact O-CD1 3.26Å; E129-Y131 PolarHBondContact O-N 3.27Å; E129-H159 WeakPolarHBondContact OE1-CB 3.42Å; E129-H159 IonicContact OE1-CD2 3.65Å; E129-H159 IonicContact OE1-CG 2.73Å; E129-K160 PolarHBondContact OE1-N 3.43Å; E129-K160 WeakPolarHBondContact OE2-CE 3.37Å; E129-K160 WeakPolarHBondContact OE2-CG 3.46Å; E129-K164 IonicContact OE1-NZ 3.44Å; E129-K164 PolarHBondContact OE1-NZ 3.15Å
130	E	96.3	Very high	95.6	Very high	184 Å²	184	53.4 Å²	53.4	86%	0.86	27%	0.266	S	S	*	.			trans	-60.5	129.9	173.1	-64.1	-179.7	175.7	0	0	111.4	K160	E130-K160 PolarHBondContact O-NZ 3.14Å
131	Y	97	Very high	95.3	Very high	46 Å²	46	53.8 Å²	53.8	18%	0.18	27%	0.268	C	S	.	.			trans	-140.2	151.4	175	63.7	-93.3	0	0	0	112.2	T94 S96 C127 E129 I133 Y152	T94-Y131 CarbonylContact O-C 3.49Å; T94-Y131 VanDerWaalsContact O-CA 3.24Å; T94-Y131 WeakPolarHBondContact O-CA 3.29Å; S96-Y131 WeakPolarHBondContact OG-CD2 3.32Å; S96-Y131 VanDerWaalsContact OG-CE2 3.23Å; S96-Y131 WeakPolarHBondContact OG-CE2 3.49Å; C127-Y131 HydrophobicContact CB-CD1 3.73Å; C127-Y131 HydrophobicContact CB-CE1 3.91Å; E129-Y131 VanDerWaalsContact O-CD1 3.29Å; E129-Y131 WeakPolarHBondContact O-CD1 3.26Å; E129-Y131 PolarHBondContact O-N 3.27Å; Y131-I133 HydrophobicContact CD2-CD1 4.45Å; Y131-I133 HydrophobicContact CD2-CG1 3.83Å; Y131-I133 HydrophobicContact CE2-CD1 3.73Å; Y131-I133 HydrophobicContact CE2-CG1 3.55Å; Y131-Y152 WeakPolarHBondContact OH-CE1 3.48Å; Y131-Y152 PolarHBondContact OH-OH 3.45Å; Y131-Y152 VanDerWaalsContact OH-OH 3.05Å
132	V	97.4	Very high	94.9	Very high	66 Å²	66	58.1 Å²	58.1	40%	0.4	29%	0.29	S	S	.	.			trans	-82.3	137.1	176.7	177.1	0	0	0	0	109.7	S68 T94 R95	S68-V132 PolarHBondContact OG-O 3.45Å; T94-V132 PolarHBondContact O-N 3.38Å; R95-V132 HydrophobicContact CG-CB 4.4Å
133	I	95.7	Very high	94.3	Very high	72 Å²	72	62.8 Å²	62.8	37%	0.369	31%	0.312	S	S	.	.			trans	-112.9	132.9	173	-62.3	-179.7	0	0	0	108.6	Y131 V138	Y131-I133 HydrophobicContact CD2-CD1 4.45Å; Y131-I133 HydrophobicContact CD2-CG1 3.83Å; Y131-I133 HydrophobicContact CE2-CD1 3.73Å; Y131-I133 HydrophobicContact CE2-CG1 3.55Å; I133-V138 HydrophobicContact CG2-CB 4.43Å; I133-V138 HydrophobicContact CG2-CG2 3.31Å
134	E	95.8	Very high	93.6	Very high	36 Å²	36	64.2 Å²	64.2	17%	0.168	32%	0.319	C	S	.	.			trans	-97.8	115.8	174.1	-77.9	168.3	-163.9	0	0	110.3	S68 G69 L70 G71 R95 K136 S137 V138	S68-E134 PolarHBondContact O-N 2.79Å; G69-E134 WeakPolarHBondContact CA-OE2 3.06Å; L70-E134 PolarHBondContact N-OE1 2.97Å; L70-E134 PolarHBondContact N-OE2 2.87Å; G71-E134 WeakPolarHBondContact CA-OE1 3.45Å; G71-E134 PolarHBondContact N-OE1 3.1Å; R95-E134 IonicContact CZ-OE1 2.83Å; R95-E134 IonicContact NE-OE1 2.65Å; R95-E134 PolarHBondContact NE-OE1 3.28Å; R95-E134 IonicContact NH2-OE1 3.21Å; R95-E134 PolarHBondContact NH2-OE1 3.12Å; E134-K136 VanDerWaalsContact C-N 3.25Å; E134-K136 PolarHBondContact O-N 2.71Å; E134-K136 VanDerWaalsContact O-N 3.13Å; E134-S137 WeakPolarHBondContact CB-OG 3.36Å; E134-S137 WeakPolarHBondContact O-CB 3Å; E134-S137 PolarHBondContact O-N 2.95Å; E134-S137 PolarHBondContact OE2-OG 3.24Å; E134-V138 PolarHBondContact O-N 2.96Å
135	P	94.4	Very high	93	Very high	92 Å²	92	66.6 Å²	66.6	60%	0.597	35%	0.345	S	S	*	.	H	α-helix	trans	-57.3	-33.9	-173.9	-29.7	36.1	0	0	0	114.6	Q139	P135-Q139 WeakPolarHBondContact O-CB 3.45Å; P135-Q139 WeakPolarHBondContact O-CG 3.44Å; P135-Q139 PolarHBondContact O-N 2.68Å
136	K	90.9	Very high	92.7	Very high	172 Å²	172	68 Å²	68	75%	0.748	35%	0.351	S	S	*	.	H	α-helix	trans	-68.1	-36.3	176.6	-68	-172.5	176.8	-175.8	0	112.5	E134 Q139 F140	E134-K136 VanDerWaalsContact C-N 3.25Å; E134-K136 PolarHBondContact O-N 2.71Å; E134-K136 VanDerWaalsContact O-N 3.13Å; K136-Q139 PolarHBondContact O-N 3.24Å; K136-F140 WeakPolarHBondContact O-CB 3.16Å; K136-F140 PolarHBondContact O-N 2.93Å
137	S	92	Very high	92.5	Very high	26 Å²	26	70.4 Å²	70.4	18%	0.182	36%	0.364	C	S	.	.	H	α-helix	trans	-71.4	-42.3	178.8	-46.7	0	0	0	0	110	E134 F140 L141	E134-S137 WeakPolarHBondContact CB-OG 3.36Å; E134-S137 WeakPolarHBondContact O-CB 3Å; E134-S137 PolarHBondContact O-N 2.95Å; E134-S137 PolarHBondContact OE2-OG 3.24Å; S137-F140 WeakPolarHBondContact O-CB 3.49Å; S137-F140 PolarHBondContact O-N 3.39Å; S137-L141 WeakPolarHBondContact O-CB 3.37Å; S137-L141 VanDerWaalsContact O-CG 3.23Å; S137-L141 WeakPolarHBondContact O-CG 3.41Å; S137-L141 PolarHBondContact O-N 3.18Å
138	V	91.1	Very high	92.4	Very high	28 Å²	28	71.5 Å²	71.5	17%	0.17	37%	0.368	C	S	.	.	H	α-helix	trans	-64.5	-41	171.7	169.4	0	0	0	0	112.5	I133 E134 F140 L141 I142 F148	I133-V138 HydrophobicContact CG2-CB 4.43Å; I133-V138 HydrophobicContact CG2-CG2 3.31Å; E134-V138 PolarHBondContact O-N 2.96Å; V138-F140 VanDerWaalsContact C-N 3.33Å; V138-F140 PolarHBondContact O-N 2.79Å; V138-L141 PolarHBondContact O-N 2.84Å; V138-I142 HydrophobicContact CG1-CD1 3.73Å; V138-I142 HydrophobicContact CG1-CG1 4.31Å; V138-I142 VanDerWaalsContact O-CG1 3.3Å; V138-I142 WeakPolarHBondContact O-CG1 3.47Å; V138-I142 PolarHBondContact O-N 2.8Å; V138-F148 HydrophobicContact CB-CZ 4.23Å; V138-F148 HydrophobicContact CG1-CD2 4.39Å; V138-F148 HydrophobicContact CG1-CE2 3.85Å; V138-F148 HydrophobicContact CG1-CZ 3.92Å; V138-F148 HydrophobicContact CG2-CE1 4.12Å; V138-F148 HydrophobicContact CG2-CZ 3.81Å
139	Q	91.7	Very high	92.3	Very high	113 Å²	113	73.1 Å²	73.1	53%	0.528	38%	0.379	S	S	.	.	H	α-helix	trans	-60	-43.1	174.2	-78.4	169.8	-11.8	0	0	111.9	P135 K136 Q143	P135-Q139 WeakPolarHBondContact O-CB 3.45Å; P135-Q139 WeakPolarHBondContact O-CG 3.44Å; P135-Q139 PolarHBondContact O-N 2.68Å; K136-Q139 PolarHBondContact O-N 3.24Å; Q139-Q143 WeakPolarHBondContact O-CB 3.24Å; Q139-Q143 WeakPolarHBondContact O-CG 3.49Å; Q139-Q143 PolarHBondContact O-N 2.72Å
140	F	89.4	Confident	92.3	Very high	80 Å²	80	73.3 Å²	73.3	35%	0.351	38%	0.38	S	S	.	.	H	α-helix	trans	-61.8	-47.6	173.8	177.8	-90.5	0	0	0	111.6	K136 S137 V138 I142 Q143 H144 H437	K136-F140 WeakPolarHBondContact O-CB 3.16Å; K136-F140 PolarHBondContact O-N 2.93Å; S137-F140 WeakPolarHBondContact O-CB 3.49Å; S137-F140 PolarHBondContact O-N 3.39Å; V138-F140 VanDerWaalsContact C-N 3.33Å; V138-F140 PolarHBondContact O-N 2.79Å; F140-I142 PolarHBondContact O-N 2.92Å; F140-Q143 WeakPolarHBondContact O-CB 3.36Å; F140-Q143 PolarHBondContact O-N 3.11Å; F140-Q143 VanDerWaalsContact O-N 3.16Å; F140-H144 AromaticContact CD1-ND1 3.91Å; F140-H144 AromaticContact CD2-CE1 3.5Å; F140-H144 AromaticContact CD2-ND1 3.89Å; F140-H144 AromaticContact CE1-ND1 3.8Å; F140-H144 AromaticContact CE2-CE1 3.26Å; F140-H144 WeakPolarHBondContact CE2-CE1 3.33Å; F140-H144 AromaticContact CE2-ND1 3.8Å; F140-H144 AromaticContact CG-ND1 3.95Å; F140-H144 AromaticContact CZ-CE1 3.59Å; F140-H144 AromaticContact CZ-ND1 3.75Å; F140-H144 PolarHBondContact O-N 2.83Å; F140-H144 PolarHBondContact O-ND1 3Å; F140-H437 AromaticContact CZ-CD2 3.56Å
141	L	92.1	Very high	92.2	Very high	9 Å²	9	64.6 Å²	64.6	5%	0.047	34%	0.339	C	S	.	.	H	α-helix	trans	-60.5	-44	178.7	-71.9	167	0	0	0	112.3	E66 L98 S137 V138 Q143 H144 G145 F146 F148	E66-L141 HydrophobicContact CB-CD2 4.03Å; E66-L141 HydrophobicContact CG-CD2 4.11Å; E66-L141 WeakPolarHBondContact OE2-CD2 3.31Å; L98-L141 HydrophobicContact CD1-CD1 3.52Å; S137-L141 WeakPolarHBondContact O-CB 3.37Å; S137-L141 VanDerWaalsContact O-CG 3.23Å; S137-L141 WeakPolarHBondContact O-CG 3.41Å; S137-L141 PolarHBondContact O-N 3.18Å; V138-L141 PolarHBondContact O-N 2.84Å; L141-Q143 VanDerWaalsContact C-N 3.32Å; L141-Q143 PolarHBondContact O-N 3.32Å; L141-H144 CarbonylContact O-C 3.55Å; L141-H144 PolarHBondContact O-N 3.28Å; L141-G145 PolarHBondContact O-N 3.22Å; L141-F146 HydrophobicContact CB-CB 3.75Å; L141-F146 HydrophobicContact CB-CG 4.19Å; L141-F146 HydrophobicContact CD2-CB 4.47Å; L141-F146 HydrophobicContact CD2-CD2 4.13Å; L141-F146 HydrophobicContact CD2-CG 4.49Å; L141-F146 WeakPolarHBondContact O-CB 3.49Å; L141-F146 PolarHBondContact O-N 3.46Å; L141-F148 HydrophobicContact CB-CE2 3.95Å; L141-F148 HydrophobicContact CB-CZ 4.05Å; L141-F148 HydrophobicContact CD1-CZ 3.9Å
142	I	90.1	Very high	92.2	Very high	94 Å²	94	67.7 Å²	67.7	48%	0.482	35%	0.351	S	S	.	.	H	α-helix	trans	-62.1	-40	175	-68.6	169.4	0	0	0	111.2	V138 F140 H144 G145 F148	V138-I142 HydrophobicContact CG1-CD1 3.73Å; V138-I142 HydrophobicContact CG1-CG1 4.31Å; V138-I142 VanDerWaalsContact O-CG1 3.3Å; V138-I142 WeakPolarHBondContact O-CG1 3.47Å; V138-I142 PolarHBondContact O-N 2.8Å; F140-I142 PolarHBondContact O-N 2.92Å; I142-H144 PolarHBondContact O-N 3.07Å; I142-G145 PolarHBondContact O-N 2.92Å; I142-F148 HydrophobicContact CD1-CD2 4.23Å; I142-F148 HydrophobicContact CD1-CE2 4.39Å; I142-F148 HydrophobicContact CG1-CD2 3.76Å; I142-F148 HydrophobicContact CG1-CE2 3.76Å
143	Q	85.8	Confident	92.2	Very high	102 Å²	102	68.2 Å²	68.2	48%	0.477	36%	0.362	S	S	.	.	H	α-helix	trans	-63.3	-27	178.1	-76.2	167.3	2.8	0	0	113.2	Q139 F140 L141 G433	Q139-Q143 WeakPolarHBondContact O-CB 3.24Å; Q139-Q143 WeakPolarHBondContact O-CG 3.49Å; Q139-Q143 PolarHBondContact O-N 2.72Å; F140-Q143 WeakPolarHBondContact O-CB 3.36Å; F140-Q143 PolarHBondContact O-N 3.11Å; F140-Q143 VanDerWaalsContact O-N 3.16Å; L141-Q143 VanDerWaalsContact C-N 3.32Å; L141-Q143 PolarHBondContact O-N 3.32Å; Q143-G433 WeakPolarHBondContact O-CA 3.47Å
144	H	83	Confident	92.2	Very high	30 Å²	30	68.1 Å²	68.1	14%	0.139	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	19.3	174.6	-51.7	88.8	0	0	0	112.6	F140 L141 I142 D434 G435 H437	F140-H144 AromaticContact CD1-ND1 3.91Å; F140-H144 AromaticContact CD2-CE1 3.5Å; F140-H144 AromaticContact CD2-ND1 3.89Å; F140-H144 AromaticContact CE1-ND1 3.8Å; F140-H144 AromaticContact CE2-CE1 3.26Å; F140-H144 WeakPolarHBondContact CE2-CE1 3.33Å; F140-H144 AromaticContact CE2-ND1 3.8Å; F140-H144 AromaticContact CG-ND1 3.95Å; F140-H144 AromaticContact CZ-CE1 3.59Å; F140-H144 AromaticContact CZ-ND1 3.75Å; F140-H144 PolarHBondContact O-N 2.83Å; F140-H144 PolarHBondContact O-ND1 3Å; L141-H144 CarbonylContact O-C 3.55Å; L141-H144 PolarHBondContact O-N 3.28Å; I142-H144 PolarHBondContact O-N 3.07Å; H144-D434 IonicContact CD2-OD1 3.38Å; H144-G435 WeakPolarHBondContact O-CA 3.39Å; H144-H437 HydrophobicContact CB-CB 3.94Å; H144-H437 AromaticContact CD2-CD2 3.63Å; H144-H437 AromaticContact CG-CD2 3.88Å; H144-H437 AromaticContact NE2-CD2 3.85Å
145	G	86.9	Confident	92.3	Very high	58 Å²	58	66.6 Å²	66.6	60%	0.598	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	13.2	167.7	0	0	0	0	0	116.3	L141 I142 N147	L141-G145 PolarHBondContact O-N 3.22Å; I142-G145 PolarHBondContact O-N 2.92Å; G145-N147 PolarHBondContact O-N 2.91Å
146	F	91.8	Very high	92.5	Very high	29 Å²	29	62.5 Å²	62.5	13%	0.127	33%	0.327	C	S	.	.			trans	-64.4	122.4	176.2	-166.7	-76	0	0	0	111.7	E66 L98 L141 F148 Q151	E66-F146 HydrophobicContact CB-CD2 4.42Å; E66-F146 HydrophobicContact CB-CE2 4.05Å; E66-F146 HydrophobicContact CG-CD2 4.14Å; E66-F146 HydrophobicContact CG-CE2 4.06Å; L98-F146 HydrophobicContact CB-CE1 4.43Å; L98-F146 HydrophobicContact CB-CE2 3.99Å; L98-F146 HydrophobicContact CB-CZ 3.61Å; L141-F146 HydrophobicContact CB-CB 3.75Å; L141-F146 HydrophobicContact CB-CG 4.19Å; L141-F146 HydrophobicContact CD2-CB 4.47Å; L141-F146 HydrophobicContact CD2-CD2 4.13Å; L141-F146 HydrophobicContact CD2-CG 4.49Å; L141-F146 WeakPolarHBondContact O-CB 3.49Å; L141-F146 PolarHBondContact O-N 3.46Å; F146-F148 HydrophobicContact CB-CE2 4.19Å; F146-F148 HydrophobicContact CD1-CD1 4.14Å; F146-F148 AromaticContact CD1-CD2 3.62Å; F146-F148 HydrophobicContact CD1-CD2 3.62Å; F146-F148 AromaticContact CD1-CE1 4Å; F146-F148 HydrophobicContact CD1-CE1 4Å; F146-F148 AromaticContact CD1-CE2 3.44Å; F146-F148 HydrophobicContact CD1-CE2 3.44Å; F146-F148 VanDerWaalsContact CD1-CE2 3.44Å; F146-F148 AromaticContact CD1-CG 3.96Å; F146-F148 HydrophobicContact CD1-CG 3.96Å; F146-F148 AromaticContact CD1-CZ 3.64Å; F146-F148 HydrophobicContact CD1-CZ 3.64Å; F146-F148 AromaticContact CE1-CD1 3.99Å; F146-F148 HydrophobicContact CE1-CD1 3.99Å; F146-F148 HydrophobicContact CE1-CD2 4.29Å; F146-F148 AromaticContact CE1-CE1 3.9Å; F146-F148 HydrophobicContact CE1-CE1 3.9Å; F146-F148 HydrophobicContact CE1-CE2 4.19Å; F146-F148 HydrophobicContact CE1-CG 4.19Å; F146-F148 AromaticContact CE1-CZ 3.99Å; F146-F148 HydrophobicContact CE1-CZ 3.99Å; F146-F148 HydrophobicContact CG-CE2 4.09Å; F146-F148 HydrophobicContact CG-CZ 4.34Å; F146-F148 PolarHBondContact O-N 3.34Å; F146-Q151 HydrophobicContact CE1-CB 4.05Å; F146-Q151 HydrophobicContact CE1-CG 4.3Å; F146-Q151 HydrophobicContact CZ-CB 4.47Å; F146-Q151 HydrophobicContact CZ-CG 4.33Å
147	N	92.9	Very high	92.8	Very high	78 Å²	78	57.7 Å²	57.7	42%	0.417	31%	0.314	S	S	.	.			trans	-93.9	88.1	-175.8	-172.1	-7.9	0	0	0	112.5	G145 N149 Q150 Q151	G145-N147 PolarHBondContact O-N 2.91Å; N147-N149 VanDerWaalsContact C-N 3.27Å; N147-N149 PolarHBondContact O-N 2.97Å; N147-N149 WeakPolarHBondContact OD1-CB 3.24Å; N147-N149 PolarHBondContact OD1-N 3.35Å; N147-Q150 HydrophobicContact CB-CB 3.99Å; N147-Q150 VanDerWaalsContact CG-CB 3.48Å; N147-Q150 WeakPolarHBondContact ND2-CB 3.45Å; N147-Q150 PolarHBondContact ND2-OE1 3.32Å; N147-Q150 PolarHBondContact O-N 3.23Å; N147-Q150 PolarHBondContact OD1-N 2.89Å; N147-Q150 VanDerWaalsContact OD1-N 3.11Å; N147-Q151 PolarHBondContact O-N 3.33Å
148	F	94.6	Very high	93	Very high	28 Å²	28	56.8 Å²	56.8	12%	0.123	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-31.2	177.1	-74.6	-84.2	0	0	0	113.8	L98 V138 L141 I142 F146 Q151 Y152	L98-F148 HydrophobicContact CD1-CE1 3.88Å; L98-F148 HydrophobicContact CD1-CZ 4.06Å; V138-F148 HydrophobicContact CB-CZ 4.23Å; V138-F148 HydrophobicContact CG1-CD2 4.39Å; V138-F148 HydrophobicContact CG1-CE2 3.85Å; V138-F148 HydrophobicContact CG1-CZ 3.92Å; V138-F148 HydrophobicContact CG2-CE1 4.12Å; V138-F148 HydrophobicContact CG2-CZ 3.81Å; L141-F148 HydrophobicContact CB-CE2 3.95Å; L141-F148 HydrophobicContact CB-CZ 4.05Å; L141-F148 HydrophobicContact CD1-CZ 3.9Å; I142-F148 HydrophobicContact CD1-CD2 4.23Å; I142-F148 HydrophobicContact CD1-CE2 4.39Å; I142-F148 HydrophobicContact CG1-CD2 3.76Å; I142-F148 HydrophobicContact CG1-CE2 3.76Å; F146-F148 HydrophobicContact CB-CE2 4.19Å; F146-F148 HydrophobicContact CD1-CD1 4.14Å; F146-F148 AromaticContact CD1-CD2 3.62Å; F146-F148 HydrophobicContact CD1-CD2 3.62Å; F146-F148 AromaticContact CD1-CE1 4Å; F146-F148 HydrophobicContact CD1-CE1 4Å; F146-F148 AromaticContact CD1-CE2 3.44Å; F146-F148 HydrophobicContact CD1-CE2 3.44Å; F146-F148 VanDerWaalsContact CD1-CE2 3.44Å; F146-F148 AromaticContact CD1-CG 3.96Å; F146-F148 HydrophobicContact CD1-CG 3.96Å; F146-F148 AromaticContact CD1-CZ 3.64Å; F146-F148 HydrophobicContact CD1-CZ 3.64Å; F146-F148 AromaticContact CE1-CD1 3.99Å; F146-F148 HydrophobicContact CE1-CD1 3.99Å; F146-F148 HydrophobicContact CE1-CD2 4.29Å; F146-F148 AromaticContact CE1-CE1 3.9Å; F146-F148 HydrophobicContact CE1-CE1 3.9Å; F146-F148 HydrophobicContact CE1-CE2 4.19Å; F146-F148 HydrophobicContact CE1-CG 4.19Å; F146-F148 AromaticContact CE1-CZ 3.99Å; F146-F148 HydrophobicContact CE1-CZ 3.99Å; F146-F148 HydrophobicContact CG-CE2 4.09Å; F146-F148 HydrophobicContact CG-CZ 4.34Å; F146-F148 PolarHBondContact O-N 3.34Å; F148-Q151 WeakPolarHBondContact O-CB 3.39Å; F148-Q151 PolarHBondContact O-N 3.28Å; F148-Y152 HydrophobicContact CB-CE2 4.44Å; F148-Y152 HydrophobicContact CD1-CE2 4.29Å; F148-Y152 WeakPolarHBondContact O-CD2 3.37Å; F148-Y152 PolarHBondContact O-N 2.88Å
149	N	95.4	Very high	93.2	Very high	137 Å²	137	58.9 Å²	58.9	73%	0.733	32%	0.315	S	S	*	.	H	α-helix	trans	-64.7	-43	176.3	-65.8	-28.2	0	0	0	111	N147 A153	N147-N149 VanDerWaalsContact C-N 3.27Å; N147-N149 PolarHBondContact O-N 2.97Å; N147-N149 WeakPolarHBondContact OD1-CB 3.24Å; N147-N149 PolarHBondContact OD1-N 3.35Å; N149-A153 VanDerWaalsContact O-CB 3.26Å; N149-A153 WeakPolarHBondContact O-CB 3.43Å; N149-A153 PolarHBondContact O-N 3.34Å
150	Q	93.6	Very high	93.3	Very high	60 Å²	60	54.7 Å²	54.7	28%	0.28	29%	0.294	S	S	.	.	H	α-helix	trans	-67.3	-35.8	173.5	-176.3	167.8	34.5	0	0	111.9	Q40 N147 A153 Q154	Q40-Q150 VanDerWaalsContact CD-NE2 3.34Å; N147-Q150 HydrophobicContact CB-CB 3.99Å; N147-Q150 VanDerWaalsContact CG-CB 3.48Å; N147-Q150 WeakPolarHBondContact ND2-CB 3.45Å; N147-Q150 PolarHBondContact ND2-OE1 3.32Å; N147-Q150 PolarHBondContact O-N 3.23Å; N147-Q150 PolarHBondContact OD1-N 2.89Å; N147-Q150 VanDerWaalsContact OD1-N 3.11Å; Q150-A153 PolarHBondContact O-N 3.22Å; Q150-Q154 WeakPolarHBondContact O-CA 3.49Å; Q150-Q154 WeakPolarHBondContact O-CB 3.33Å; Q150-Q154 PolarHBondContact O-N 2.83Å
151	Q	95.8	Very high	93.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-48.6	175.1	-165	-159.4	-3.6	0	0	112.4	T124 L125 F146 N147 F148 G155	T124-Q151 HydrophobicContact CG2-CB 4Å; T124-Q151 HydrophobicContact CG2-CG 3.9Å; L125-Q151 VanDerWaalsContact O-CG 3.24Å; L125-Q151 WeakPolarHBondContact O-CG 3.26Å; L125-Q151 PolarHBondContact O-NE2 2.87Å; F146-Q151 HydrophobicContact CE1-CB 4.05Å; F146-Q151 HydrophobicContact CE1-CG 4.3Å; F146-Q151 HydrophobicContact CZ-CB 4.47Å; F146-Q151 HydrophobicContact CZ-CG 4.33Å; N147-Q151 PolarHBondContact O-N 3.33Å; F148-Q151 WeakPolarHBondContact O-CB 3.39Å; F148-Q151 PolarHBondContact O-N 3.28Å; Q151-G155 VanDerWaalsContact O-CA 3.27Å; Q151-G155 WeakPolarHBondContact O-CA 3.49Å; Q151-G155 PolarHBondContact O-N 3.14Å
152	Y	95.8	Very high	93.5	Very high	112 Å²	112	54 Å²	54	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-72.6	-27.3	179.8	-72.3	-63.9	0	0	0	113.4	L126 Y131 F148	L126-Y152 HydrophobicContact CD1-CD1 3.79Å; L126-Y152 HydrophobicContact CD1-CE1 3.95Å; Y131-Y152 WeakPolarHBondContact OH-CE1 3.48Å; Y131-Y152 PolarHBondContact OH-OH 3.45Å; Y131-Y152 VanDerWaalsContact OH-OH 3.05Å; F148-Y152 HydrophobicContact CB-CE2 4.44Å; F148-Y152 HydrophobicContact CD1-CE2 4.29Å; F148-Y152 WeakPolarHBondContact O-CD2 3.37Å; F148-Y152 PolarHBondContact O-N 2.88Å
153	A	96.8	Very high	93.4	Very high	77 Å²	77	52.4 Å²	52.4	64%	0.636	29%	0.287	S	S	*	.	H	α-helix	trans	-85.7	-33.8	177.7	0	0	0	0	0	114.3	N149 Q150	N149-A153 VanDerWaalsContact O-CB 3.26Å; N149-A153 WeakPolarHBondContact O-CB 3.43Å; N149-A153 PolarHBondContact O-N 3.34Å; Q150-A153 PolarHBondContact O-N 3.22Å
154	Q	96.7	Very high	93.1	Very high	69 Å²	69	53.2 Å²	53.2	32%	0.322	29%	0.289	S	S	.	.	H	α-helix	trans	-139.4	9.8	-164.7	-66.1	175.4	-22.6	0	0	113.8	Q40 S41 Q150	Q40-Q154 HydrophobicContact CB-CB 4.36Å; Q40-Q154 WeakPolarHBondContact CB-O 3.42Å; S41-Q154 PolarHBondContact N-O 3.38Å; S41-Q154 PolarHBondContact OG-O 3.08Å; Q150-Q154 WeakPolarHBondContact O-CA 3.49Å; Q150-Q154 WeakPolarHBondContact O-CB 3.33Å; Q150-Q154 PolarHBondContact O-N 2.83Å
155	G	97.8	Very high	92.4	Very high	5 Å²	5	54.7 Å²	54.7	5%	0.052	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-65.8	140.5	173.4	0	0	0	0	0	112.6	T124 Q151 P157	T124-G155 WeakPolarHBondContact O-CA 3.4Å; Q151-G155 VanDerWaalsContact O-CA 3.27Å; Q151-G155 WeakPolarHBondContact O-CA 3.49Å; Q151-G155 PolarHBondContact O-N 3.14Å; G155-P157 WeakPolarHBondContact O-CD 3.28Å
156	I	98.1	Very high	91.1	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	119.2	177.7	-59.8	160.6	0	0	0	108.6	V39 F44 L123 T124 L125 L126	V39-I156 HydrophobicContact CG1-CD1 4.23Å; F44-I156 HydrophobicContact CB-CD1 4.02Å; F44-I156 HydrophobicContact CB-CG1 4.12Å; F44-I156 HydrophobicContact CD1-CD1 4.41Å; F44-I156 HydrophobicContact CD1-CG1 4.47Å; F44-I156 HydrophobicContact CD1-CG2 3.87Å; F44-I156 HydrophobicContact CD2-CD1 3.64Å; F44-I156 HydrophobicContact CD2-CG1 4.48Å; F44-I156 HydrophobicContact CE1-CG2 3.87Å; F44-I156 HydrophobicContact CE2-CD1 4.11Å; F44-I156 HydrophobicContact CG-CD1 3.79Å; F44-I156 HydrophobicContact CG-CG1 4.15Å; F44-I156 HydrophobicContact CG-CG2 4.34Å; F44-I156 HydrophobicContact CZ-CG2 4.34Å; L123-I156 HydrophobicContact CB-CD1 4.23Å; L123-I156 HydrophobicContact CD2-CD1 4.4Å; L123-I156 HydrophobicContact CG-CD1 4.22Å; T124-I156 WeakPolarHBondContact O-CG1 3.43Å; T124-I156 PolarHBondContact O-N 2.99Å; L125-I156 HydrophobicContact CD2-CB 3.86Å; L125-I156 HydrophobicContact CD2-CD1 4.12Å; L125-I156 HydrophobicContact CD2-CG2 4.46Å; L126-I156 PolarHBondContact N-O 3.49Å
157	P	96.9	Very high	89.6	Confident	72 Å²	72	57.5 Å²	57.5	47%	0.468	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	137.7	-173.5	28.3	-35.1	0	0	0	112	L126 M128 G155	L126-P157 CarbonylContact O-C 3.58Å; L126-P157 WeakPolarHBondContact O-CA 3.49Å; M128-P157 HydrophobicContact CG-CB 3.68Å; M128-P157 HydrophobicContact SD-CB 3.77Å; G155-P157 WeakPolarHBondContact O-CD 3.28Å
158	Y	96.3	Very high	87.8	Confident	6 Å²	6	58.4 Å²	58.4	2%	0.024	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	160.5	175	83.8	-89.3	0	0	0	113.7	S96 I97 L125 L126 C127 M128 V173 N202 F203	S96-Y158 WeakPolarHBondContact CB-OH 3.46Å; I97-Y158 PolarHBondContact N-OH 3.22Å; L125-Y158 HydrophobicContact CB-CD1 4.15Å; L125-Y158 HydrophobicContact CB-CE1 4.09Å; L126-Y158 WeakPolarHBondContact O-CD1 3.31Å; L126-Y158 PolarHBondContact O-N 3.24Å; C127-Y158 HydrophobicContact CB-CD1 4.47Å; C127-Y158 HydrophobicContact CB-CE1 3.74Å; C127-Y158 HydrophobicContact CB-CE2 4.27Å; M128-Y158 PolarHBondContact N-O 3.5Å; Y158-V173 VanDerWaalsContact CB-CG1 3.48Å; Y158-V173 HydrophobicContact CG-CG1 4.07Å; Y158-N202 HydrophobicContact CE2-CB 3.66Å; Y158-N202 VanDerWaalsContact CE2-OD1 3.26Å; Y158-N202 WeakPolarHBondContact CE2-OD1 3.02Å; Y158-N202 PolarHBondContact OH-OD1 2.85Å; Y158-F203 HydrophobicContact CD1-CE1 4.23Å; Y158-F203 HydrophobicContact CD2-CD1 4.1Å; Y158-F203 AromaticContact CD2-CE1 3.81Å; Y158-F203 HydrophobicContact CD2-CE1 3.81Å; Y158-F203 HydrophobicContact CE1-CE1 4.28Å; Y158-F203 HydrophobicContact CE2-CD1 4.41Å; Y158-F203 AromaticContact CE2-CE1 3.91Å; Y158-F203 HydrophobicContact CE2-CE1 3.91Å; Y158-F203 AromaticContact CG-CE1 3.99Å; Y158-F203 HydrophobicContact CG-CE1 3.99Å
159	H	95.3	Very high	86	Confident	73 Å²	73	64.6 Å²	64.6	34%	0.338	36%	0.356	S	S	.	.			trans	-118.7	148.5	174.8	-65.1	105.4	0	0	0	110.4	E129 K164 R174	E129-H159 WeakPolarHBondContact OE1-CB 3.42Å; E129-H159 IonicContact OE1-CD2 3.65Å; E129-H159 IonicContact OE1-CG 2.73Å; H159-K164 HydrophobicContact CB-CD 4.4Å; H159-K164 PolarHBondContact CD2-NZ 2.74Å; H159-R174 PolarHBondContact O-NH1 3.45Å
160	K	94.8	Very high	85.2	Confident	24 Å²	24	60.5 Å²	60.5	10%	0.104	34%	0.338	C	S	.	.			trans	-99.8	160.7	-176	56	179.3	172.7	-173.1	0	111.3	R93 E129 E130	R93-K160 PolarHBondContact O-NZ 3.44Å; E129-K160 PolarHBondContact OE1-N 3.43Å; E129-K160 WeakPolarHBondContact OE2-CE 3.37Å; E129-K160 WeakPolarHBondContact OE2-CG 3.46Å; E130-K160 PolarHBondContact O-NZ 3.14Å
161	G	93.9	Very high	84.9	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.344	C	S	.	.	S	Bend	trans	84.7	-146.7	179.9	0	0	0	0	0	113.7	R174 Q201 A205	G161-R174 PolarHBondContact O-NH1 2.96Å; G161-R174 VanDerWaalsContact O-NH1 3.15Å; G161-R174 PolarHBondContact O-NH2 3.12Å; G161-Q201 PolarHBondContact N-O 3.18Å; G161-A205 VanDerWaalsContact O-CA 3.32Å; G161-A205 WeakPolarHBondContact O-CA 3.3Å
162	N	92.3	Very high	84.8	Confident	74 Å²	74	62.6 Å²	62.6	40%	0.396	35%	0.35	S	S	.	.	S	Bend	trans	-74	157.9	-178.6	-65.8	-7.7	0	0	0	112	H206	N162-H206 VanDerWaalsContact CG-CD2 3.5Å; N162-H206 PolarHBondContact OD1-CD2 2.94Å; N162-H206 PolarHBondContact OD1-N 2.97Å
163	D	86.6	Confident	84.8	Confident	62 Å²	62	57.2 Å²	57.2	33%	0.332	33%	0.329	S	S	.	.			trans	-64.4	132.2	179.5	-52.6	-35	0	0	0	111.7	G165 R174 K501	D163-G165 PolarHBondContact O-N 3.43Å; D163-R174 IonicContact OD1-CZ 3.74Å; D163-R174 IonicContact OD1-NE 2.94Å; D163-R174 IonicContact OD1-NH2 2.72Å; D163-R174 PolarHBondContact OD1-NH2 2.83Å; D163-K501 WeakPolarHBondContact OD1-CE 3.35Å; D163-K501 IonicContact OD1-NZ 2.69Å; D163-K501 PolarHBondContact OD1-NZ 3.36Å; D163-K501 WeakPolarHBondContact OD2-CE 3.45Å; D163-K501 IonicContact OD2-NZ 2.86Å; D163-K501 PolarHBondContact OD2-NZ 3.24Å
164	K	79	Confident	84.7	Confident	118 Å²	118	54 Å²	54	51%	0.513	30%	0.3	S	S	.	.			trans	-93.7	59.8	-178.6	-59.9	179.3	-172.6	174.9	0	111.7	E129 H159 E167	E129-K164 IonicContact OE1-NZ 3.44Å; E129-K164 PolarHBondContact OE1-NZ 3.15Å; H159-K164 HydrophobicContact CB-CD 4.4Å; H159-K164 PolarHBondContact CD2-NZ 2.74Å; K164-E167 WeakPolarHBondContact CB-OE1 3.48Å; K164-E167 VanDerWaalsContact N-CD 3.32Å; K164-E167 PolarHBondContact N-OE1 2.88Å
165	G	70.1	Confident	84.5	Confident	62 Å²	62	51.8 Å²	51.8	64%	0.639	29%	0.291	S	S	*	.	S	Bend	trans	85.2	-125.8	175.9	0	0	0	0	0	113.4	D163 E167	D163-G165 PolarHBondContact O-N 3.43Å; G165-E167 PolarHBondContact O-N 2.81Å
166	D	57.9	Low	84.5	Confident	115 Å²	115	51.7 Å²	51.7	62%	0.615	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-76.7	35	-168.8	-160.3	15.9	0	0	0	114.6	S168 Q169	D166-S168 PolarHBondContact O-N 2.85Å; D166-S168 VanDerWaalsContact O-N 3.14Å; D166-S168 PolarHBondContact OD1-OG 2.9Å; D166-Q169 PolarHBondContact OD1-NE2 2.87Å; D166-Q169 VanDerWaalsContact OD1-NE2 3.16Å; D166-Q169 PolarHBondContact OD2-NE2 2.9Å
167	E	61.2	Low	84.4	Confident	31 Å²	31	52 Å²	52	15%	0.145	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-59.9	-21.8	172.5	-64.1	-176.4	-177.3	0	0	112	K164 G165 Q169 S170 R174	K164-E167 WeakPolarHBondContact CB-OE1 3.48Å; K164-E167 VanDerWaalsContact N-CD 3.32Å; K164-E167 PolarHBondContact N-OE1 2.88Å; G165-E167 PolarHBondContact O-N 2.81Å; E167-Q169 PolarHBondContact O-N 2.87Å; E167-Q169 VanDerWaalsContact O-N 3.11Å; E167-S170 PolarHBondContact O-N 3.01Å; E167-S170 PolarHBondContact O-OG 3.13Å; E167-R174 IonicContact OE1-NE 3.18Å; E167-R174 WeakPolarHBondContact OE2-CD 3.44Å; E167-R174 IonicContact OE2-CZ 2.68Å; E167-R174 IonicContact OE2-NE 3.99Å; E167-R174 PolarHBondContact OE2-NE 2.95Å; E167-R174 IonicContact OE2-NH2 3.73Å
168	S	55.8	Low	84.3	Confident	97 Å²	97	50 Å²	50	68%	0.678	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-59.5	-23.9	-169.4	75.8	0	0	0	0	115.8	D166	D166-S168 PolarHBondContact O-N 2.85Å; D166-S168 VanDerWaalsContact O-N 3.14Å; D166-S168 PolarHBondContact OD1-OG 2.9Å
169	Q	56.9	Low	84.3	Confident	158 Å²	158	50.7 Å²	50.7	74%	0.738	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-97.9	-5.1	-179.4	-59.2	-175.3	62.7	0	0	113.1	D166 E167	D166-Q169 PolarHBondContact OD1-NE2 2.87Å; D166-Q169 VanDerWaalsContact OD1-NE2 3.16Å; D166-Q169 PolarHBondContact OD2-NE2 2.9Å; E167-Q169 PolarHBondContact O-N 2.87Å; E167-Q169 VanDerWaalsContact O-N 3.11Å
170	S	76.9	Confident	84.3	Confident	51 Å²	51	47.7 Å²	47.7	36%	0.357	27%	0.266	S	S	.	.	S	Bend	trans	-91	141.1	-174	72.1	0	0	0	0	113.4	E167 S172 T175	E167-S170 PolarHBondContact O-N 3.01Å; E167-S170 PolarHBondContact O-OG 3.13Å; S170-S172 PolarHBondContact O-N 3.18Å; S170-T175 WeakPolarHBondContact O-CB 3.45Å; S170-T175 PolarHBondContact O-OG1 2.99Å
171	Q	89.1	Confident	84.4	Confident	85 Å²	85	46.5 Å²	46.5	40%	0.397	26%	0.261	S	S	.	.			trans	-74.1	100	162.8	-70.6	176	-43.1	0	0	108.1	W48	W48-Q171 HydrophobicContact CD2-CB 4.17Å; W48-Q171 HydrophobicContact CD2-CG 3.87Å; W48-Q171 HydrophobicContact CE3-CB 4.04Å; W48-Q171 HydrophobicContact CE3-CG 4.26Å; W48-Q171 HydrophobicContact CG-CG 4.15Å; W48-Q171 HydrophobicContact CZ2-CG 4.39Å; W48-Q171 HydrophobicContact CZ3-CB 4.26Å
172	S	93.4	Very high	84.4	Confident	18 Å²	18	51 Å²	51	13%	0.126	28%	0.278	C	S	.	.			trans	-135.9	162.6	-177.9	77.7	0	0	0	0	110.9	S170 R174 T175 L176	S170-S172 PolarHBondContact O-N 3.18Å; S172-R174 PolarHBondContact O-N 3.39Å; S172-R174 PolarHBondContact OG-N 3.01Å; S172-T175 WeakPolarHBondContact O-CB 3.29Å; S172-T175 PolarHBondContact O-N 2.86Å; S172-T175 VanDerWaalsContact O-N 3.17Å; S172-T175 PolarHBondContact OG-N 2.94Å; S172-T175 PolarHBondContact OG-OG1 3.02Å; S172-L176 PolarHBondContact O-N 3.39Å
173	V	95.5	Very high	84.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-28	172.9	67	0	0	0	0	112.2	L100 L125 Y158 L176 F177 F203	L100-V173 HydrophobicContact CD2-CG2 4.02Å; L125-V173 HydrophobicContact CD1-CG2 4.2Å; L125-V173 HydrophobicContact CD2-CB 4.37Å; L125-V173 HydrophobicContact CD2-CG2 4.15Å; Y158-V173 VanDerWaalsContact CB-CG1 3.48Å; Y158-V173 HydrophobicContact CG-CG1 4.07Å; V173-L176 PolarHBondContact O-N 3.42Å; V173-F177 PolarHBondContact O-N 2.97Å; V173-F203 HydrophobicContact CB-CD1 4.49Å; V173-F203 HydrophobicContact CB-CE1 4.46Å; V173-F203 HydrophobicContact CG1-CD1 3.69Å; V173-F203 HydrophobicContact CG1-CE1 3.66Å; V173-F203 HydrophobicContact CG1-CZ 4.5Å; V173-F203 HydrophobicContact CG2-CD1 4.09Å; V173-F203 HydrophobicContact CG2-CD2 4.35Å; V173-F203 HydrophobicContact CG2-CE1 3.93Å; V173-F203 HydrophobicContact CG2-CE2 4.17Å; V173-F203 HydrophobicContact CG2-CG 4.34Å; V173-F203 HydrophobicContact CG2-CZ 3.98Å
174	R	94.3	Very high	85	Confident	8 Å²	8	50.8 Å²	50.8	3%	0.03	27%	0.271	C	S	.	.	H	α-helix	trans	-64.7	-46.7	171.9	-56.8	177.2	62.8	77.1	5.1	110.5	H159 G161 D163 E167 S172 L176 F177 L178 N202 Y204	H159-R174 PolarHBondContact O-NH1 3.45Å; G161-R174 PolarHBondContact O-NH1 2.96Å; G161-R174 VanDerWaalsContact O-NH1 3.15Å; G161-R174 PolarHBondContact O-NH2 3.12Å; D163-R174 IonicContact OD1-CZ 3.74Å; D163-R174 IonicContact OD1-NE 2.94Å; D163-R174 IonicContact OD1-NH2 2.72Å; D163-R174 PolarHBondContact OD1-NH2 2.83Å; E167-R174 IonicContact OE1-NE 3.18Å; E167-R174 WeakPolarHBondContact OE2-CD 3.44Å; E167-R174 IonicContact OE2-CZ 2.68Å; E167-R174 IonicContact OE2-NE 3.99Å; E167-R174 PolarHBondContact OE2-NE 2.95Å; E167-R174 IonicContact OE2-NH2 3.73Å; S172-R174 PolarHBondContact O-N 3.39Å; S172-R174 PolarHBondContact OG-N 3.01Å; R174-L176 VanDerWaalsContact C-N 3.34Å; R174-L176 PolarHBondContact O-N 3.19Å; R174-F177 PolarHBondContact O-N 3.48Å; R174-L178 WeakPolarHBondContact O-CG 3.46Å; R174-L178 PolarHBondContact O-N 3.36Å; R174-L178 VanDerWaalsContact O-N 3.09Å; R174-N202 PolarHBondContact NH1-O 3.38Å; R174-Y204 PolarHBondContact NH2-O 3.05Å
175	T	93.6	Very high	85.8	Confident	23 Å²	23	49.4 Å²	49.4	14%	0.141	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-40.3	174	-47.9	0	0	0	0	111.3	W48 S170 S172 F177 L178 E179	W48-T175 HydrophobicContact CH2-CG2 3.93Å; W48-T175 HydrophobicContact CZ2-CG2 4.09Å; S170-T175 WeakPolarHBondContact O-CB 3.45Å; S170-T175 PolarHBondContact O-OG1 2.99Å; S172-T175 WeakPolarHBondContact O-CB 3.29Å; S172-T175 PolarHBondContact O-N 2.86Å; S172-T175 VanDerWaalsContact O-N 3.17Å; S172-T175 PolarHBondContact OG-N 2.94Å; S172-T175 PolarHBondContact OG-OG1 3.02Å; T175-F177 PolarHBondContact O-N 3.16Å; T175-L178 WeakPolarHBondContact O-CB 3.3Å; T175-L178 PolarHBondContact O-N 2.96Å; T175-E179 WeakPolarHBondContact O-CG 3.5Å; T175-E179 PolarHBondContact O-N 2.88Å
176	L	96.4	Very high	87.1	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-40.4	177.1	-173.5	64.5	0	0	0	112.3	F44 W48 L51 L52 I55 L102 L123 S172 V173 R174 L178 E179 L180	F44-L176 HydrophobicContact CE2-CD2 4.3Å; W48-L176 HydrophobicContact CH2-CB 4.08Å; W48-L176 HydrophobicContact CH2-CD1 4.46Å; W48-L176 HydrophobicContact CZ3-CB 3.95Å; W48-L176 HydrophobicContact CZ3-CD1 4.29Å; L51-L176 HydrophobicContact CB-CD1 4.13Å; L51-L176 HydrophobicContact CD1-CD2 4.25Å; L52-L176 HydrophobicContact CD2-CD1 3.93Å; I55-L176 HydrophobicContact CD1-CD1 3.68Å; I55-L176 HydrophobicContact CD1-CG 4.26Å; L102-L176 HydrophobicContact CD1-CD2 3.96Å; L123-L176 HydrophobicContact CD2-CD2 3.53Å; S172-L176 PolarHBondContact O-N 3.39Å; V173-L176 PolarHBondContact O-N 3.42Å; R174-L176 VanDerWaalsContact C-N 3.34Å; R174-L176 PolarHBondContact O-N 3.19Å; L176-L178 VanDerWaalsContact C-N 3.33Å; L176-E179 PolarHBondContact O-N 3.05Å; L176-E179 VanDerWaalsContact O-N 3.16Å; L176-L180 PolarHBondContact O-N 3.48Å
177	F	96.6	Very high	89.1	Confident	11 Å²	11	41.9 Å²	41.9	5%	0.048	21%	0.208	C	C	.	.	H	α-helix	trans	-66.5	-34.1	175.2	-169.9	-106.8	0	0	0	112.4	V173 R174 T175 L180 I181 L199 F203 Y204 M221 F222	V173-F177 PolarHBondContact O-N 2.97Å; R174-F177 PolarHBondContact O-N 3.48Å; T175-F177 PolarHBondContact O-N 3.16Å; F177-L180 HydrophobicContact CD2-CD2 4.15Å; F177-L180 HydrophobicContact CE2-CD2 4.26Å; F177-L180 WeakPolarHBondContact O-CB 3.5Å; F177-L180 PolarHBondContact O-N 3.39Å; F177-I181 HydrophobicContact CD1-CD1 3.97Å; F177-I181 HydrophobicContact CE1-CD1 3.75Å; F177-I181 HydrophobicContact CZ-CD1 4.43Å; F177-I181 WeakPolarHBondContact O-CG1 3.37Å; F177-I181 PolarHBondContact O-N 2.74Å; F177-I181 VanDerWaalsContact O-N 3.15Å; F177-L199 HydrophobicContact CD2-CD2 4.42Å; F177-L199 HydrophobicContact CE2-CB 3.92Å; F177-L199 HydrophobicContact CE2-CD1 4.29Å; F177-L199 HydrophobicContact CE2-CD2 4.14Å; F177-L199 HydrophobicContact CE2-CG 4.35Å; F177-L199 HydrophobicContact CZ-CB 3.99Å; F177-F203 HydrophobicContact CB-CB 3.75Å; F177-F203 HydrophobicContact CD1-CB 4.02Å; F177-F203 HydrophobicContact CD2-CD2 4.47Å; F177-F203 HydrophobicContact CG-CB 3.87Å; F177-Y204 HydrophobicContact CD1-CD2 4.2Å; F177-Y204 HydrophobicContact CE1-CD2 4.09Å; F177-Y204 HydrophobicContact CE1-CG 4.31Å; F177-M221 HydrophobicContact CE1-CE 3.68Å; F177-M221 HydrophobicContact CZ-CE 4.01Å; F177-F222 HydrophobicContact CE2-CZ 4.41Å; F177-F222 HydrophobicContact CZ-CZ 4.06Å
178	L	94.4	Very high	90.9	Very high	31 Å²	31	40.4 Å²	40.4	16%	0.162	20%	0.201	C	C	.	.	H	α-helix	trans	-67.1	-35.1	169.8	-67.9	173.5	0	0	0	112.5	R174 T175 L176 I181 R182 Y204	R174-L178 WeakPolarHBondContact O-CG 3.46Å; R174-L178 PolarHBondContact O-N 3.36Å; R174-L178 VanDerWaalsContact O-N 3.09Å; T175-L178 WeakPolarHBondContact O-CB 3.3Å; T175-L178 PolarHBondContact O-N 2.96Å; L176-L178 VanDerWaalsContact C-N 3.33Å; L178-I181 PolarHBondContact O-N 3.02Å; L178-R182 WeakPolarHBondContact O-CB 3.36Å; L178-R182 WeakPolarHBondContact O-CG 3.23Å; L178-R182 PolarHBondContact O-N 2.74Å; L178-Y204 HydrophobicContact CD2-CD2 4.02Å; L178-Y204 HydrophobicContact CD2-CE2 3.86Å
179	E	95.5	Very high	92.9	Very high	20 Å²	20	35.9 Å²	35.9	9%	0.093	17%	0.17	C	C	.	.	H	α-helix	trans	-69.3	-33.8	174.4	-69.1	-68	108.2	0	0	112.6	L52 K56 T175 L176 R182 A183	L52-E179 HydrophobicContact CD2-CB 3.64Å; L52-E179 HydrophobicContact CD2-CG 3.68Å; K56-E179 WeakPolarHBondContact CE-OE2 3.41Å; K56-E179 IonicContact NZ-OE2 3.94Å; K56-E179 PolarHBondContact NZ-OE2 2.89Å; T175-E179 WeakPolarHBondContact O-CG 3.5Å; T175-E179 PolarHBondContact O-N 2.88Å; L176-E179 PolarHBondContact O-N 3.05Å; L176-E179 VanDerWaalsContact O-N 3.16Å; E179-R182 PolarHBondContact O-N 3.24Å; E179-R182 WeakPolarHBondContact OE1-CD 3.26Å; E179-R182 IonicContact OE1-CZ 3.52Å; E179-R182 IonicContact OE1-NE 3.37Å; E179-R182 IonicContact OE1-NH1 3.89Å; E179-R182 PolarHBondContact OE1-NH1 3.5Å; E179-A183 WeakPolarHBondContact O-CB 3.38Å; E179-A183 PolarHBondContact O-N 2.82Å
180	L	96.8	Very high	94.9	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.052	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-45.5	170.2	-179.8	63.4	0	0	0	111.7	I55 V61 V63 L176 F177 A183 L187	I55-L180 HydrophobicContact CG2-CB 4.42Å; I55-L180 HydrophobicContact CG2-CD1 4.04Å; V61-L180 HydrophobicContact CB-CD1 3.9Å; V61-L180 HydrophobicContact CG1-CD1 3.89Å; V61-L180 HydrophobicContact CG2-CD1 3.94Å; V63-L180 HydrophobicContact CG2-CD2 4.39Å; L176-L180 PolarHBondContact O-N 3.48Å; F177-L180 HydrophobicContact CD2-CD2 4.15Å; F177-L180 HydrophobicContact CE2-CD2 4.26Å; F177-L180 WeakPolarHBondContact O-CB 3.5Å; F177-L180 PolarHBondContact O-N 3.39Å; L180-A183 PolarHBondContact O-N 3.15Å; L180-L187 HydrophobicContact CD2-CD1 4.17Å
181	I	96	Very high	95.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.4	-43.7	174.2	-70.1	165.8	0	0	0	111.3	F177 L178 A183 R184 Y204 M221 F222 M502	F177-I181 HydrophobicContact CD1-CD1 3.97Å; F177-I181 HydrophobicContact CE1-CD1 3.75Å; F177-I181 HydrophobicContact CZ-CD1 4.43Å; F177-I181 WeakPolarHBondContact O-CG1 3.37Å; F177-I181 PolarHBondContact O-N 2.74Å; F177-I181 VanDerWaalsContact O-N 3.15Å; L178-I181 PolarHBondContact O-N 3.02Å; I181-A183 VanDerWaalsContact C-N 3.3Å; I181-A183 PolarHBondContact O-N 2.95Å; I181-R184 PolarHBondContact O-N 3.2Å; I181-Y204 HydrophobicContact CD1-CD2 3.73Å; I181-Y204 HydrophobicContact CD1-CE2 3.61Å; I181-M221 HydrophobicContact CD1-CB 4.4Å; I181-M221 HydrophobicContact CD1-CE 3.61Å; I181-M221 HydrophobicContact CD1-CG 4.28Å; I181-M221 HydrophobicContact CG1-CB 4.36Å; I181-M221 HydrophobicContact CG1-CE 4.46Å; I181-F222 HydrophobicContact CG1-CE1 3.94Å; I181-F222 HydrophobicContact CG1-CZ 3.85Å; I181-M502 HydrophobicContact CG2-CE 3.98Å; I181-M502 HydrophobicContact CG2-SD 4.28Å
182	R	95.1	Very high	96.2	Very high	95 Å²	95	25.1 Å²	25.1	36%	0.358	12%	0.115	S	C	.	.	H	α-helix	trans	-63.7	-31.8	177.4	-80.2	169.1	167.5	153.4	3.5	113.3	L178 E179 R184 L504 A505	L178-R182 WeakPolarHBondContact O-CB 3.36Å; L178-R182 WeakPolarHBondContact O-CG 3.23Å; L178-R182 PolarHBondContact O-N 2.74Å; E179-R182 PolarHBondContact O-N 3.24Å; E179-R182 WeakPolarHBondContact OE1-CD 3.26Å; E179-R182 IonicContact OE1-CZ 3.52Å; E179-R182 IonicContact OE1-NE 3.37Å; E179-R182 IonicContact OE1-NH1 3.89Å; E179-R182 PolarHBondContact OE1-NH1 3.5Å; R182-R184 PolarHBondContact O-N 3.27Å; R182-L504 PolarHBondContact NH2-O 3.39Å; R182-A505 HydrophobicContact CG-CB 4.18Å; R182-A505 WeakPolarHBondContact CG-O 3.49Å; R182-A505 PolarHBondContact NE-O 2.91Å
183	A	95.8	Very high	96.4	Very high	18 Å²	18	24.9 Å²	24.9	15%	0.149	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.4	177.3	0	0	0	0	0	113.5	I55 K56 E179 L180 I181 R185	I55-A183 HydrophobicContact CG2-CB 3.72Å; K56-A183 HydrophobicContact CG-CB 4.37Å; E179-A183 WeakPolarHBondContact O-CB 3.38Å; E179-A183 PolarHBondContact O-N 2.82Å; L180-A183 PolarHBondContact O-N 3.15Å; I181-A183 VanDerWaalsContact C-N 3.3Å; I181-A183 PolarHBondContact O-N 2.95Å; A183-R185 HydrophobicContact CB-CG 4.09Å; A183-R185 WeakPolarHBondContact O-CD 3.25Å; A183-R185 PolarHBondContact O-N 3.22Å; A183-R185 VanDerWaalsContact O-N 3.09Å
184	R	95.3	Very high	96.5	Very high	112 Å²	112	26.2 Å²	26.2	42%	0.423	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	36.6	176.5	-62.2	177	-177.5	149.5	4.7	113.1	I181 R182 P223 A224	I181-R184 PolarHBondContact O-N 3.2Å; R182-R184 PolarHBondContact O-N 3.27Å; R184-P223 HydrophobicContact CB-CG 4.21Å; R184-P223 HydrophobicContact CG-CG 4.01Å; R184-A224 VanDerWaalsContact O-CB 3.23Å; R184-A224 WeakPolarHBondContact O-CB 3.39Å
185	R	95.7	Very high	96.8	Very high	90 Å²	90	26.6 Å²	26.6	34%	0.34	12%	0.122	S	C	.	.	P	Polyproline II helix	trans	-88.1	152.7	175.7	-56.5	-49.7	-176.5	171.8	3.4	110.6	K56 A58 V61 A183 L187	K56-R185 PolarHBondContact O-NE 3.27Å; K56-R185 PolarHBondContact O-NH2 3.16Å; A58-R185 WeakPolarHBondContact O-CD 3.21Å; A58-R185 PolarHBondContact O-NE 3.1Å; V61-R185 HydrophobicContact CG2-CB 4.44Å; A183-R185 HydrophobicContact CB-CG 4.09Å; A183-R185 WeakPolarHBondContact O-CD 3.25Å; A183-R185 PolarHBondContact O-N 3.22Å; A183-R185 VanDerWaalsContact O-N 3.09Å; R185-L187 PolarHBondContact O-N 2.7Å
186	P	97.5	Very high	97	Very high	17 Å²	17	25.7 Å²	25.7	11%	0.11	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-52.6	131.4	165.6	-23.8	33.4	0	0	0	110.6	N59 F60 V61 A224 G225 Y227	N59-P186 WeakPolarHBondContact O-CD 3.32Å; F60-P186 HydrophobicContact CB-CB 3.96Å; F60-P186 HydrophobicContact CB-CG 4.3Å; V61-P186 PolarHBondContact N-O 3.16Å; P186-A224 HydrophobicContact CG-CB 4.01Å; P186-G225 WeakPolarHBondContact CA-O 3.48Å; P186-Y227 HydrophobicContact CB-CD2 4.03Å; P186-Y227 HydrophobicContact CB-CE2 3.87Å
187	L	98.6	Very high	97.1	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.8	175.7	-175.5	70.7	0	0	0	109.1	V63 L180 R185 L189 L196 F222 G225 I226 Y227	V63-L187 HydrophobicContact CB-CD1 4.28Å; V63-L187 HydrophobicContact CG2-CD1 3.57Å; L180-L187 HydrophobicContact CD2-CD1 4.17Å; R185-L187 PolarHBondContact O-N 2.7Å; L187-L189 HydrophobicContact CD2-CD1 3.88Å; L187-L189 HydrophobicContact CG-CD1 3.83Å; L187-L196 HydrophobicContact CD2-CD2 3.76Å; L187-F222 HydrophobicContact CB-CD1 3.92Å; L187-F222 HydrophobicContact CB-CE1 4.32Å; L187-F222 HydrophobicContact CB-CG 4.25Å; L187-F222 HydrophobicContact CD1-CE1 4.46Å; L187-F222 HydrophobicContact CD2-CD1 4.08Å; L187-F222 HydrophobicContact CD2-CD2 4.1Å; L187-F222 HydrophobicContact CD2-CE1 3.85Å; L187-F222 HydrophobicContact CD2-CE2 3.86Å; L187-F222 HydrophobicContact CD2-CG 4.21Å; L187-F222 HydrophobicContact CD2-CZ 3.74Å; L187-F222 HydrophobicContact CG-CE1 4.44Å; L187-G225 PolarHBondContact N-O 2.81Å; L187-I226 CarbonylContact O-C 3.58Å; L187-I226 WeakPolarHBondContact O-CA 3.49Å; L187-Y227 PolarHBondContact O-N 2.94Å
188	V	98.8	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.9	-176.5	-170.9	0	0	0	0	109.9	F60 V61 A62 V63 Y227 T229 T446 M450	F60-V188 HydrophobicContact CB-CG2 4.21Å; F60-V188 HydrophobicContact CD2-CB 4.41Å; F60-V188 HydrophobicContact CD2-CG2 3.57Å; F60-V188 HydrophobicContact CE2-CG2 4.28Å; F60-V188 HydrophobicContact CG-CG2 4.16Å; V61-V188 PolarHBondContact O-N 3.03Å; A62-V188 CarbonylContact C-O 3.5Å; A62-V188 VanDerWaalsContact CA-O 3.24Å; A62-V188 WeakPolarHBondContact CA-O 3.4Å; A62-V188 HydrophobicContact CB-CB 4.05Å; V63-V188 PolarHBondContact N-O 3.39Å; V188-Y227 WeakPolarHBondContact CA-O 3.46Å; V188-T229 HydrophobicContact CG1-CG2 3.62Å; V188-T446 HydrophobicContact CG1-CG2 3.86Å; V188-M450 HydrophobicContact CG1-CB 3.7Å; V188-M450 HydrophobicContact CG1-CG 3.83Å; V188-M450 HydrophobicContact CG1-SD 4.37Å; V188-M450 HydrophobicContact CG2-CG 4.04Å
189	L	98.6	Very high	97.4	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	178	177	-53	98.9	0	0	0	110.8	L187 D195 L196 L199 I226 Y227 T229 T446	L187-L189 HydrophobicContact CD2-CD1 3.88Å; L187-L189 HydrophobicContact CG-CD1 3.83Å; L189-D195 HydrophobicContact CD2-CB 3.59Å; L189-L196 HydrophobicContact CD1-CD1 4.38Å; L189-L196 HydrophobicContact CD1-CD2 4.06Å; L189-L196 HydrophobicContact CD1-CG 4.2Å; L189-L196 HydrophobicContact CD2-CD2 4.35Å; L189-L196 HydrophobicContact CD2-CG 4.12Å; L189-L199 HydrophobicContact CD2-CD1 4.49Å; L189-I226 HydrophobicContact CD1-CG2 3.8Å; L189-Y227 PolarHBondContact N-O 2.91Å; L189-T229 PolarHBondContact O-N 2.71Å; L189-T229 PolarHBondContact O-OG1 3.46Å; L189-T446 VanDerWaalsContact C-CG2 3.48Å
190	H	98.3	Very high	97.6	Very high	21 Å²	21	22.8 Å²	22.8	10%	0.097	10%	0.102	C	C	.	.	S	Bend	trans	-124.5	117.3	170.3	-173.4	86.7	0	0	0	110.2	G192 T229 S242 L244 T446	H190-G192 PolarHBondContact O-N 3.46Å; H190-T229 WeakPolarHBondContact CA-OG1 3.34Å; H190-T229 WeakPolarHBondContact CB-OG1 3.33Å; H190-T229 PolarHBondContact ND1-OG1 2.83Å; H190-S242 PolarHBondContact CE1-O 3.28Å; H190-S242 PolarHBondContact NE2-O 2.84Å; H190-L244 HydrophobicContact CB-CD1 4.27Å; H190-L244 PolarHBondContact CE1-N 2.97Å; H190-L244 PolarHBondContact NE2-N 2.85Å; H190-T446 HydrophobicContact CB-CG2 4.46Å
191	N	97.2	Very high	97.6	Very high	46 Å²	46	22.4 Å²	22.4	25%	0.246	10%	0.1	C	C	.	.	S	Bend	trans	56.7	27.9	-173.9	-178.4	74.3	0	0	0	112.9	L193 D228 K230 Y476 S478	N191-L193 PolarHBondContact O-N 3.33Å; N191-D228 VanDerWaalsContact CA-OD2 3.28Å; N191-D228 WeakPolarHBondContact CA-OD2 3.24Å; N191-D228 PolarHBondContact N-OD1 3.47Å; N191-D228 PolarHBondContact N-OD2 3.5Å; N191-K230 HydrophobicContact CB-CB 4.43Å; N191-K230 HydrophobicContact CB-CD 3.77Å; N191-Y476 WeakPolarHBondContact OD1-CD1 3.15Å; N191-S478 PolarHBondContact OD1-OG 3.04Å
192	G	97.5	Very high	97.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	17.9	-152.4	0	0	0	0	0	117.5	H190 I194 L196 D228	H190-G192 PolarHBondContact O-N 3.46Å; G192-I194 VanDerWaalsContact C-N 3.28Å; G192-I194 PolarHBondContact O-N 3.09Å; G192-L196 WeakPolarHBondContact O-CB 3.34Å; G192-L196 WeakPolarHBondContact O-CD1 3.43Å; G192-L196 WeakPolarHBondContact O-CG 3.32Å; G192-L196 PolarHBondContact O-N 3.28Å; G192-D228 PolarHBondContact N-OD2 3.49Å
193	L	97.8	Very high	97.8	Very high	13 Å²	13	17.9 Å²	17.9	7%	0.068	8%	0.083	C	C	.	.	H	α-helix	trans	-61.3	-39	176.4	176	62.1	0	0	0	111.7	N191 V197 V475 L477 L484	N191-L193 PolarHBondContact O-N 3.33Å; L193-V197 HydrophobicContact CD1-CG2 4.29Å; L193-V197 VanDerWaalsContact O-CG2 3.23Å; L193-V197 WeakPolarHBondContact O-CG2 3.26Å; L193-V197 PolarHBondContact O-N 2.99Å; L193-V475 HydrophobicContact CB-CG1 3.94Å; L193-L477 HydrophobicContact CD2-CD2 3.67Å; L193-L484 HydrophobicContact CD1-CD2 3.85Å
194	I	97.8	Very high	97.8	Very high	28 Å²	28	17 Å²	17	14%	0.144	8%	0.075	C	C	.	.	H	α-helix	trans	-69.5	-50.1	-178.8	-60.4	-176.4	0	0	0	109.1	L67 L70 L76 V88 G192 L196 V197 F198	L67-I194 HydrophobicContact CD1-CG2 3.66Å; L70-I194 HydrophobicContact CD2-CD1 4.4Å; L70-I194 HydrophobicContact CD2-CG2 4.22Å; L76-I194 HydrophobicContact CD2-CD1 4.49Å; V88-I194 HydrophobicContact CG1-CB 4.39Å; V88-I194 HydrophobicContact CG1-CG1 4.23Å; V88-I194 HydrophobicContact CG1-CG2 4.32Å; V88-I194 HydrophobicContact CG2-CG1 4.49Å; G192-I194 VanDerWaalsContact C-N 3.28Å; G192-I194 PolarHBondContact O-N 3.09Å; I194-L196 PolarHBondContact O-N 2.87Å; I194-V197 PolarHBondContact O-N 3.28Å; I194-V197 VanDerWaalsContact O-N 3.11Å; I194-F198 HydrophobicContact CG2-CD2 3.62Å; I194-F198 HydrophobicContact CG2-CE2 3.74Å; I194-F198 WeakPolarHBondContact O-CD2 3.49Å; I194-F198 PolarHBondContact O-N 2.77Å
195	D	98.6	Very high	97.8	Very high	16 Å²	16	11.7 Å²	11.7	9%	0.086	6%	0.055	C	C	.	.	H	α-helix	trans	-54.4	-50	177.1	-52.7	-96.5	0	0	0	111.7	T65 L189 V197 F198 L199	T65-D195 PolarHBondContact N-OD1 3Å; T65-D195 PolarHBondContact OG1-OD1 3.01Å; L189-D195 HydrophobicContact CD2-CB 3.59Å; D195-V197 VanDerWaalsContact C-N 3.28Å; D195-V197 PolarHBondContact O-N 3.44Å; D195-F198 PolarHBondContact O-N 2.82Å; D195-L199 HydrophobicContact CB-CD1 4.47Å; D195-L199 WeakPolarHBondContact O-CB 3.2Å; D195-L199 WeakPolarHBondContact O-CD1 3.29Å; D195-L199 WeakPolarHBondContact O-CG 3.35Å; D195-L199 PolarHBondContact O-N 3.49Å
196	L	98.8	Very high	97.8	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.026	6%	0.062	C	C	.	.	H	α-helix	trans	-57.9	-39.3	178	-71.9	166.1	0	0	0	112.7	L187 L189 G192 I194 Y200 F214 L218 I226 V475	L187-L196 HydrophobicContact CD2-CD2 3.76Å; L189-L196 HydrophobicContact CD1-CD1 4.38Å; L189-L196 HydrophobicContact CD1-CD2 4.06Å; L189-L196 HydrophobicContact CD1-CG 4.2Å; L189-L196 HydrophobicContact CD2-CD2 4.35Å; L189-L196 HydrophobicContact CD2-CG 4.12Å; G192-L196 WeakPolarHBondContact O-CB 3.34Å; G192-L196 WeakPolarHBondContact O-CD1 3.43Å; G192-L196 WeakPolarHBondContact O-CG 3.32Å; G192-L196 PolarHBondContact O-N 3.28Å; I194-L196 PolarHBondContact O-N 2.87Å; L196-Y200 VanDerWaalsContact O-CB 3.29Å; L196-Y200 WeakPolarHBondContact O-CB 3.36Å; L196-Y200 PolarHBondContact O-N 3.28Å; L196-Y200 VanDerWaalsContact O-N 3.13Å; L196-F214 HydrophobicContact CB-CZ 4.14Å; L196-L218 HydrophobicContact CB-CD1 4.3Å; L196-L218 HydrophobicContact CD1-CD1 4.19Å; L196-L218 HydrophobicContact CD2-CD1 4.48Å; L196-L218 HydrophobicContact CD2-CD2 4.12Å; L196-I226 HydrophobicContact CD1-CD1 4.36Å; L196-I226 HydrophobicContact CD1-CG2 4.14Å; L196-I226 HydrophobicContact CD2-CD1 4.06Å; L196-V475 HydrophobicContact CD1-CG1 4.45Å; L196-V475 HydrophobicContact CD1-CG2 3.89Å
197	V	98.6	Very high	97.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-73.9	-38.8	178.5	175.4	0	0	0	0	111.1	Y85 V88 A92 L193 I194 D195 Q201 L207 F214	Y85-V197 HydrophobicContact CD2-CG2 4.38Å; Y85-V197 HydrophobicContact CE2-CG2 4.21Å; V88-V197 HydrophobicContact CB-CG1 4.24Å; V88-V197 HydrophobicContact CG1-CB 3.67Å; V88-V197 HydrophobicContact CG1-CG1 3.64Å; V88-V197 HydrophobicContact CG1-CG2 4.03Å; A92-V197 HydrophobicContact CB-CG1 3.83Å; L193-V197 HydrophobicContact CD1-CG2 4.29Å; L193-V197 VanDerWaalsContact O-CG2 3.23Å; L193-V197 WeakPolarHBondContact O-CG2 3.26Å; L193-V197 PolarHBondContact O-N 2.99Å; I194-V197 PolarHBondContact O-N 3.28Å; I194-V197 VanDerWaalsContact O-N 3.11Å; D195-V197 VanDerWaalsContact C-N 3.28Å; D195-V197 PolarHBondContact O-N 3.44Å; V197-Q201 WeakPolarHBondContact O-CB 3.17Å; V197-Q201 PolarHBondContact O-N 3.26Å; V197-Q201 VanDerWaalsContact O-N 3.07Å; V197-L207 HydrophobicContact CB-CD2 4.46Å; V197-L207 HydrophobicContact CG1-CD1 3.48Å; V197-L207 VanDerWaalsContact CG1-CD1 3.48Å; V197-L207 HydrophobicContact CG1-CD2 3.81Å; V197-L207 HydrophobicContact CG1-CG 4.29Å; V197-F214 HydrophobicContact CB-CZ 4.24Å; V197-F214 HydrophobicContact CG2-CE1 3.65Å; V197-F214 HydrophobicContact CG2-CE2 4.15Å; V197-F214 HydrophobicContact CG2-CZ 3.39Å
198	F	98.7	Very high	97.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-68.4	-49	175.3	-93.3	-101.5	0	0	0	112.3	L67 A91 A92 R95 I97 I194 D195 Y200 Q201 N202	L67-F198 HydrophobicContact CB-CE1 4.41Å; L67-F198 HydrophobicContact CD1-CD1 4.1Å; L67-F198 HydrophobicContact CD1-CD2 3.85Å; L67-F198 HydrophobicContact CD1-CE1 4.1Å; L67-F198 HydrophobicContact CD1-CE2 3.87Å; L67-F198 HydrophobicContact CD1-CG 3.95Å; L67-F198 HydrophobicContact CD1-CZ 3.98Å; L67-F198 HydrophobicContact CD2-CB 4.21Å; L67-F198 HydrophobicContact CD2-CD1 3.48Å; L67-F198 VanDerWaalsContact CD2-CD1 3.48Å; L67-F198 HydrophobicContact CD2-CE1 3.86Å; L67-F198 HydrophobicContact CD2-CG 3.86Å; L67-F198 HydrophobicContact CG-CD1 4.33Å; L67-F198 HydrophobicContact CG-CE1 4.36Å; A91-F198 HydrophobicContact CB-CE2 4.14Å; A91-F198 HydrophobicContact CB-CZ 4.2Å; A92-F198 HydrophobicContact CB-CD1 4.27Å; A92-F198 HydrophobicContact CB-CD2 3.65Å; A92-F198 HydrophobicContact CB-CE1 4.47Å; A92-F198 HydrophobicContact CB-CE2 3.86Å; A92-F198 HydrophobicContact CB-CG 3.89Å; A92-F198 HydrophobicContact CB-CZ 4.29Å; R95-F198 HydrophobicContact CB-CE1 3.8Å; R95-F198 HydrophobicContact CB-CZ 3.91Å; I97-F198 HydrophobicContact CD1-CB 4.14Å; I97-F198 HydrophobicContact CG1-CB 4.21Å; I97-F198 HydrophobicContact CG1-CD1 4.05Å; I194-F198 HydrophobicContact CG2-CD2 3.62Å; I194-F198 HydrophobicContact CG2-CE2 3.74Å; I194-F198 WeakPolarHBondContact O-CD2 3.49Å; I194-F198 PolarHBondContact O-N 2.77Å; D195-F198 PolarHBondContact O-N 2.82Å; F198-Y200 VanDerWaalsContact C-N 3.31Å; F198-Y200 PolarHBondContact O-N 3.37Å; F198-Q201 PolarHBondContact O-N 3.46Å; F198-N202 VanDerWaalsContact O-CB 3.27Å; F198-N202 WeakPolarHBondContact O-CB 3.49Å; F198-N202 PolarHBondContact O-N 3.03Å; F198-N202 PolarHBondContact O-ND2 3.45Å
199	L	98.7	Very high	97.6	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-54	-46.9	174.9	-71.7	167.7	0	0	0	111.1	V63 T65 I97 L100 F177 L189 D195 F203	V63-L199 HydrophobicContact CG1-CD1 4.01Å; V63-L199 HydrophobicContact CG1-CD2 4.42Å; T65-L199 HydrophobicContact CG2-CD2 4.07Å; T65-L199 HydrophobicContact CG2-CG 4.35Å; I97-L199 HydrophobicContact CD1-CD2 4.43Å; L100-L199 HydrophobicContact CD1-CD2 3.75Å; F177-L199 HydrophobicContact CD2-CD2 4.42Å; F177-L199 HydrophobicContact CE2-CB 3.92Å; F177-L199 HydrophobicContact CE2-CD1 4.29Å; F177-L199 HydrophobicContact CE2-CD2 4.14Å; F177-L199 HydrophobicContact CE2-CG 4.35Å; F177-L199 HydrophobicContact CZ-CB 3.99Å; L189-L199 HydrophobicContact CD2-CD1 4.49Å; D195-L199 HydrophobicContact CB-CD1 4.47Å; D195-L199 WeakPolarHBondContact O-CB 3.2Å; D195-L199 WeakPolarHBondContact O-CD1 3.29Å; D195-L199 WeakPolarHBondContact O-CG 3.35Å; D195-L199 PolarHBondContact O-N 3.49Å; L199-F203 HydrophobicContact CD2-CD2 3.75Å; L199-F203 HydrophobicContact CD2-CE2 3.73Å; L199-F203 PolarHBondContact O-N 2.96Å
200	Y	98.5	Very high	97.4	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	12%	0.12	C	C	.	.	I	π-helix	trans	-60	-51	176.2	-168.3	-70.7	0	0	0	111.1	L196 F198 N202 Y204 A205 L207 F214 D217 M221 S495	L196-Y200 VanDerWaalsContact O-CB 3.29Å; L196-Y200 WeakPolarHBondContact O-CB 3.36Å; L196-Y200 PolarHBondContact O-N 3.28Å; L196-Y200 VanDerWaalsContact O-N 3.13Å; F198-Y200 VanDerWaalsContact C-N 3.31Å; F198-Y200 PolarHBondContact O-N 3.37Å; Y200-N202 PolarHBondContact O-N 2.89Å; Y200-Y204 HydrophobicContact CD1-CD1 4.45Å; Y200-Y204 AromaticContact CD2-CD1 3.95Å; Y200-Y204 HydrophobicContact CD2-CD1 3.95Å; Y200-Y204 HydrophobicContact CE1-CD1 4.08Å; Y200-Y204 AromaticContact CE2-CD1 3.52Å; Y200-Y204 HydrophobicContact CE2-CD1 3.52Å; Y200-Y204 AromaticContact CE2-CE1 3.86Å; Y200-Y204 HydrophobicContact CE2-CE1 3.86Å; Y200-Y204 HydrophobicContact CG-CD1 4.38Å; Y200-Y204 AromaticContact CZ-CD1 3.58Å; Y200-Y204 AromaticContact CZ-CE1 3.98Å; Y200-Y204 CarbonylContact O-C 3.49Å; Y200-Y204 WeakPolarHBondContact O-CA 3.45Å; Y200-Y204 VanDerWaalsContact O-CB 3.29Å; Y200-Y204 WeakPolarHBondContact O-CB 3.46Å; Y200-Y204 PolarHBondContact O-N 3.34Å; Y200-A205 WeakPolarHBondContact CD1-O 3.24Å; Y200-A205 HydrophobicContact CE1-CB 3.84Å; Y200-A205 PolarHBondContact O-N 2.88Å; Y200-L207 HydrophobicContact CD1-CD2 3.66Å; Y200-L207 HydrophobicContact CD1-CG 4.07Å; Y200-L207 HydrophobicContact CE1-CD2 4.47Å; Y200-L207 HydrophobicContact CG-CD2 3.96Å; Y200-F214 HydrophobicContact CD2-CD2 4.18Å; Y200-F214 HydrophobicContact CD2-CE2 4.01Å; Y200-F214 HydrophobicContact CG-CD2 4.39Å; Y200-F214 HydrophobicContact CG-CE2 4.06Å; Y200-D217 HydrophobicContact CE2-CB 4.02Å; Y200-D217 PolarHBondContact OH-OD2 3Å; Y200-D217 VanDerWaalsContact OH-OD2 3.08Å; Y200-M221 HydrophobicContact CD2-CE 4.07Å; Y200-M221 HydrophobicContact CD2-SD 3.87Å; Y200-M221 HydrophobicContact CE2-CE 4.45Å; Y200-M221 HydrophobicContact CE2-SD 3.83Å; Y200-S495 PolarHBondContact OH-OG 2.94Å
201	Q	98.2	Very high	97.4	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.119	C	C	.	.	I	π-helix	trans	-69.3	-31.6	-176.4	-169	44.4	83.8	0	0	114.1	A92 R93 G161 V197 F198 A205 H206 L207	A92-Q201 HydrophobicContact CB-CB 3.96Å; A92-Q201 HydrophobicContact CB-CG 4.21Å; A92-Q201 WeakPolarHBondContact O-CG 3.23Å; R93-Q201 HydrophobicContact CB-CG 4.5Å; R93-Q201 HydrophobicContact CG-CG 3.87Å; R93-Q201 VanDerWaalsContact CG-OE1 3.27Å; G161-Q201 PolarHBondContact N-O 3.18Å; V197-Q201 WeakPolarHBondContact O-CB 3.17Å; V197-Q201 PolarHBondContact O-N 3.26Å; V197-Q201 VanDerWaalsContact O-N 3.07Å; F198-Q201 PolarHBondContact O-N 3.46Å; Q201-A205 WeakPolarHBondContact CA-O 3.34Å; Q201-H206 PolarHBondContact NE2-ND1 3.39Å; Q201-L207 HydrophobicContact CB-CD1 3.6Å; Q201-L207 HydrophobicContact CB-CG 3.81Å; Q201-L207 HydrophobicContact CG-CD1 3.87Å; Q201-L207 HydrophobicContact CG-CG 4.26Å
202	N	97.6	Very high	97.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	I	π-helix	trans	-92.4	-37.7	-174.3	-74.5	-90.9	0	0	0	112	I97 Y158 R174 F198 Y200	I97-N202 HydrophobicContact CD1-CB 3.73Å; I97-N202 HydrophobicContact CG1-CB 4.22Å; Y158-N202 HydrophobicContact CE2-CB 3.66Å; Y158-N202 VanDerWaalsContact CE2-OD1 3.26Å; Y158-N202 WeakPolarHBondContact CE2-OD1 3.02Å; Y158-N202 PolarHBondContact OH-OD1 2.85Å; R174-N202 PolarHBondContact NH1-O 3.38Å; F198-N202 VanDerWaalsContact O-CB 3.27Å; F198-N202 WeakPolarHBondContact O-CB 3.49Å; F198-N202 PolarHBondContact O-N 3.03Å; F198-N202 PolarHBondContact O-ND2 3.45Å; Y200-N202 PolarHBondContact O-N 2.89Å
203	F	96.6	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	I	π-helix	trans	-116.6	-11.9	-172.7	-49.2	-37.6	0	0	0	115.1	I97 L100 L125 Y158 V173 F177 L199	I97-F203 HydrophobicContact CB-CZ 4.12Å; I97-F203 HydrophobicContact CD1-CD2 4.3Å; I97-F203 HydrophobicContact CD1-CE1 4.33Å; I97-F203 HydrophobicContact CD1-CE2 3.48Å; I97-F203 VanDerWaalsContact CD1-CE2 3.48Å; I97-F203 HydrophobicContact CD1-CZ 3.47Å; I97-F203 VanDerWaalsContact CD1-CZ 3.47Å; I97-F203 HydrophobicContact CG1-CZ 4.34Å; I97-F203 HydrophobicContact CG2-CZ 4.21Å; L100-F203 HydrophobicContact CD1-CE2 4.5Å; L100-F203 HydrophobicContact CD2-CE2 3.94Å; L125-F203 HydrophobicContact CD1-CE1 3.91Å; L125-F203 HydrophobicContact CD1-CE2 4.27Å; L125-F203 HydrophobicContact CD1-CZ 3.32Å; Y158-F203 HydrophobicContact CD1-CE1 4.23Å; Y158-F203 HydrophobicContact CD2-CD1 4.1Å; Y158-F203 AromaticContact CD2-CE1 3.81Å; Y158-F203 HydrophobicContact CD2-CE1 3.81Å; Y158-F203 HydrophobicContact CE1-CE1 4.28Å; Y158-F203 HydrophobicContact CE2-CD1 4.41Å; Y158-F203 AromaticContact CE2-CE1 3.91Å; Y158-F203 HydrophobicContact CE2-CE1 3.91Å; Y158-F203 AromaticContact CG-CE1 3.99Å; Y158-F203 HydrophobicContact CG-CE1 3.99Å; V173-F203 HydrophobicContact CB-CD1 4.49Å; V173-F203 HydrophobicContact CB-CE1 4.46Å; V173-F203 HydrophobicContact CG1-CD1 3.69Å; V173-F203 HydrophobicContact CG1-CE1 3.66Å; V173-F203 HydrophobicContact CG1-CZ 4.5Å; V173-F203 HydrophobicContact CG2-CD1 4.09Å; V173-F203 HydrophobicContact CG2-CD2 4.35Å; V173-F203 HydrophobicContact CG2-CE1 3.93Å; V173-F203 HydrophobicContact CG2-CE2 4.17Å; V173-F203 HydrophobicContact CG2-CG 4.34Å; V173-F203 HydrophobicContact CG2-CZ 3.98Å; F177-F203 HydrophobicContact CB-CB 3.75Å; F177-F203 HydrophobicContact CD1-CB 4.02Å; F177-F203 HydrophobicContact CD2-CD2 4.47Å; F177-F203 HydrophobicContact CG-CB 3.87Å; L199-F203 HydrophobicContact CD2-CD2 3.75Å; L199-F203 HydrophobicContact CD2-CE2 3.73Å; L199-F203 PolarHBondContact O-N 2.96Å
204	Y	95.6	Very high	97.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	I	π-helix	trans	-112.1	-77.9	-177.3	-163.3	-103.5	0	0	0	113.1	R174 F177 L178 I181 Y200 M221 H498 K501 M502	R174-Y204 PolarHBondContact NH2-O 3.05Å; F177-Y204 HydrophobicContact CD1-CD2 4.2Å; F177-Y204 HydrophobicContact CE1-CD2 4.09Å; F177-Y204 HydrophobicContact CE1-CG 4.31Å; L178-Y204 HydrophobicContact CD2-CD2 4.02Å; L178-Y204 HydrophobicContact CD2-CE2 3.86Å; I181-Y204 HydrophobicContact CD1-CD2 3.73Å; I181-Y204 HydrophobicContact CD1-CE2 3.61Å; Y200-Y204 HydrophobicContact CD1-CD1 4.45Å; Y200-Y204 AromaticContact CD2-CD1 3.95Å; Y200-Y204 HydrophobicContact CD2-CD1 3.95Å; Y200-Y204 HydrophobicContact CE1-CD1 4.08Å; Y200-Y204 AromaticContact CE2-CD1 3.52Å; Y200-Y204 HydrophobicContact CE2-CD1 3.52Å; Y200-Y204 AromaticContact CE2-CE1 3.86Å; Y200-Y204 HydrophobicContact CE2-CE1 3.86Å; Y200-Y204 HydrophobicContact CG-CD1 4.38Å; Y200-Y204 AromaticContact CZ-CD1 3.58Å; Y200-Y204 AromaticContact CZ-CE1 3.98Å; Y200-Y204 CarbonylContact O-C 3.49Å; Y200-Y204 WeakPolarHBondContact O-CA 3.45Å; Y200-Y204 VanDerWaalsContact O-CB 3.29Å; Y200-Y204 WeakPolarHBondContact O-CB 3.46Å; Y200-Y204 PolarHBondContact O-N 3.34Å; Y204-M221 HydrophobicContact CD1-CE 4.15Å; Y204-M221 HydrophobicContact CD1-SD 4.42Å; Y204-M221 HydrophobicContact CD2-CE 3.88Å; Y204-M221 HydrophobicContact CE1-CE 4.33Å; Y204-M221 HydrophobicContact CE1-SD 4.18Å; Y204-M221 HydrophobicContact CE2-CE 4.07Å; Y204-M221 HydrophobicContact CG-CE 3.92Å; Y204-H498 HydrophobicContact CE1-CB 4.05Å; Y204-H498 AromaticContact CE1-ND1 3.98Å; Y204-H498 AromaticContact CZ-ND1 3.88Å; Y204-H498 PolarHBondContact OH-ND1 2.97Å; Y204-H498 VanDerWaalsContact OH-ND1 3.1Å; Y204-K501 HydrophobicContact CD1-CD 4.11Å; Y204-K501 HydrophobicContact CD2-CD 3.9Å; Y204-K501 HydrophobicContact CE1-CD 3.88Å; Y204-K501 HydrophobicContact CE2-CB 4.01Å; Y204-K501 HydrophobicContact CE2-CD 3.67Å; Y204-K501 HydrophobicContact CE2-CG 4.43Å; Y204-K501 HydrophobicContact CG-CD 4.12Å; Y204-K501 WeakPolarHBondContact O-CE 3.36Å; Y204-K501 PolarHBondContact O-NZ 3.43Å; Y204-K501 WeakPolarHBondContact OH-CB 3.32Å; Y204-M502 PolarHBondContact OH-SD 3.4Å
205	A	96	Very high	97.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.			trans	-156.2	173.7	-172.7	0	0	0	0	0	111.5	G161 Y200 Q201 L207 A497	G161-A205 VanDerWaalsContact O-CA 3.32Å; G161-A205 WeakPolarHBondContact O-CA 3.3Å; Y200-A205 WeakPolarHBondContact CD1-O 3.24Å; Y200-A205 HydrophobicContact CE1-CB 3.84Å; Y200-A205 PolarHBondContact O-N 2.88Å; Q201-A205 WeakPolarHBondContact CA-O 3.34Å; A205-L207 PolarHBondContact O-N 2.8Å; A205-A497 HydrophobicContact CB-CB 3.84Å
206	H	96.9	Very high	97.3	Very high	102 Å²	102	21.1 Å²	21.1	47%	0.472	12%	0.115	S	C	.	.	S	Bend	trans	-62.4	129.7	166.6	-72.9	-66	0	0	0	111.1	N162 Q201	N162-H206 VanDerWaalsContact CG-CD2 3.5Å; N162-H206 PolarHBondContact OD1-CD2 2.94Å; N162-H206 PolarHBondContact OD1-N 2.97Å; Q201-H206 PolarHBondContact NE2-ND1 3.39Å
207	L	97.9	Very high	97.3	Very high	6 Å²	6	20.9 Å²	20.9	3%	0.031	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-56.2	135.4	-178	-80.1	161.4	0	0	0	112.5	C89 A92 R93 V197 Y200 Q201 A205 F214	C89-L207 HydrophobicContact CB-CD1 3.98Å; A92-L207 HydrophobicContact CB-CD1 3.86Å; R93-L207 PolarHBondContact NH2-O 2.67Å; V197-L207 HydrophobicContact CB-CD2 4.46Å; V197-L207 HydrophobicContact CG1-CD1 3.48Å; V197-L207 VanDerWaalsContact CG1-CD1 3.48Å; V197-L207 HydrophobicContact CG1-CD2 3.81Å; V197-L207 HydrophobicContact CG1-CG 4.29Å; Y200-L207 HydrophobicContact CD1-CD2 3.66Å; Y200-L207 HydrophobicContact CD1-CG 4.07Å; Y200-L207 HydrophobicContact CE1-CD2 4.47Å; Y200-L207 HydrophobicContact CG-CD2 3.96Å; Q201-L207 HydrophobicContact CB-CD1 3.6Å; Q201-L207 HydrophobicContact CB-CG 3.81Å; Q201-L207 HydrophobicContact CG-CD1 3.87Å; Q201-L207 HydrophobicContact CG-CG 4.26Å; A205-L207 PolarHBondContact O-N 2.8Å; L207-F214 HydrophobicContact CD2-CD2 3.97Å; L207-F214 HydrophobicContact CD2-CE2 3.84Å
208	P	97.3	Very high	97.2	Very high	13 Å²	13	21 Å²	21	8%	0.084	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-58.2	148.3	171.9	-24.1	34.8	0	0	0	112.7	Y85 S210 T213 F214 D217	Y85-P208 WeakPolarHBondContact CE1-O 3.28Å; Y85-P208 PolarHBondContact OH-O 3.38Å; P208-S210 VanDerWaalsContact C-N 3.35Å; P208-T213 HydrophobicContact CB-CG2 3.56Å; P208-T213 HydrophobicContact CG-CG2 3.74Å; P208-F214 HydrophobicContact CB-CB 4.46Å; P208-F214 HydrophobicContact CG-CB 4.23Å; P208-D217 WeakPolarHBondContact CG-OD2 3.45Å
209	E	94.1	Very high	97.1	Very high	177 Å²	177	22.7 Å²	22.7	83%	0.827	13%	0.126	S	C	*	.	S	Bend	trans	-71.2	-30.7	177.9	-62.6	178.6	164.5	0	0	112.8
210	S	95.6	Very high	96.9	Very high	58 Å²	58	25 Å²	25	41%	0.406	14%	0.137	S	C	.	.	S	Bend	trans	-102.9	138	178.4	88.1	0	0	0	0	112.2	P208 G212 T213 F214	P208-S210 VanDerWaalsContact C-N 3.35Å; S210-G212 PolarHBondContact O-N 2.96Å; S210-T213 PolarHBondContact O-N 3.48Å; S210-T213 PolarHBondContact OG-N 2.92Å; S210-T213 VanDerWaalsContact OG-N 3.07Å; S210-T213 PolarHBondContact OG-OG1 3.48Å; S210-F214 PolarHBondContact O-N 3.36Å
211	L	96.8	Very high	96.8	Very high	17 Å²	17	25 Å²	25	9%	0.089	14%	0.137	C	C	.	.	H	α-helix	trans	-55.5	-38.6	172	175.4	60.4	0	0	0	111.6	I81 Y85 T213 F214 T215 L484	I81-L211 HydrophobicContact CB-CD2 4.17Å; I81-L211 HydrophobicContact CG2-CD2 3.62Å; Y85-L211 HydrophobicContact CD1-CB 3.97Å; Y85-L211 HydrophobicContact CD2-CB 4.49Å; Y85-L211 HydrophobicContact CD2-CD1 3.72Å; Y85-L211 HydrophobicContact CE1-CB 4.49Å; Y85-L211 HydrophobicContact CE2-CD1 4.33Å; Y85-L211 HydrophobicContact CG-CB 3.98Å; Y85-L211 HydrophobicContact CG-CD1 3.92Å; Y85-L211 HydrophobicContact CG-CG 4.49Å; L211-T213 PolarHBondContact O-N 3.43Å; L211-F214 HydrophobicContact CD1-CD1 4.31Å; L211-F214 PolarHBondContact O-N 3.33Å; L211-T215 HydrophobicContact CD1-CG2 4.05Å; L211-T215 HydrophobicContact CG-CG2 4.41Å; L211-T215 WeakPolarHBondContact O-CG2 3.42Å; L211-T215 PolarHBondContact O-N 2.95Å; L211-T215 PolarHBondContact O-OG1 3.18Å; L211-L484 HydrophobicContact CD1-CD1 4.24Å; L211-L484 HydrophobicContact CD1-CD2 4.15Å; L211-L484 HydrophobicContact CD2-CD1 4.19Å; L211-L484 HydrophobicContact CG-CD1 4.48Å
212	G	97	Very high	96.7	Very high	22 Å²	22	25.1 Å²	25.1	23%	0.227	14%	0.138	C	C	.	.	H	α-helix	trans	-67.8	-30.5	-179.6	0	0	0	0	0	114.4	S210 T215 A216 S492	S210-G212 PolarHBondContact O-N 2.96Å; G212-T215 PolarHBondContact O-OG1 2.81Å; G212-A216 WeakPolarHBondContact O-CB 3.28Å; G212-A216 PolarHBondContact O-N 3.33Å; G212-S492 VanDerWaalsContact O-CB 3.3Å; G212-S492 WeakPolarHBondContact O-CB 3.36Å; G212-S492 PolarHBondContact O-OG 2.84Å
213	T	97.3	Very high	96.5	Very high	27 Å²	27	28.3 Å²	28.3	17%	0.166	16%	0.158	C	C	.	.	H	α-helix	trans	-73.3	-40.8	169.7	-68.6	0	0	0	0	110.6	P208 S210 L211 T215 A216 D217 R493	P208-T213 HydrophobicContact CB-CG2 3.56Å; P208-T213 HydrophobicContact CG-CG2 3.74Å; S210-T213 PolarHBondContact O-N 3.48Å; S210-T213 PolarHBondContact OG-N 2.92Å; S210-T213 VanDerWaalsContact OG-N 3.07Å; S210-T213 PolarHBondContact OG-OG1 3.48Å; L211-T213 PolarHBondContact O-N 3.43Å; T213-T215 PolarHBondContact O-N 2.75Å; T213-A216 WeakPolarHBondContact O-CB 3.43Å; T213-A216 PolarHBondContact O-N 3.33Å; T213-D217 VanDerWaalsContact O-CG 3.32Å; T213-D217 PolarHBondContact O-N 3.43Å; T213-R493 WeakPolarHBondContact CB-O 3.4Å; T213-R493 VanDerWaalsContact CG2-O 3.25Å; T213-R493 WeakPolarHBondContact CG2-O 3.16Å; T213-R493 PolarHBondContact OG1-O 2.79Å
214	F	98.1	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.5	-41.7	176.6	175.3	-107.5	0	0	0	112.9	Y85 L196 V197 Y200 L207 P208 S210 L211 A216 D217 L218	Y85-F214 HydrophobicContact CD2-CD1 4.15Å; Y85-F214 HydrophobicContact CE2-CB 3.8Å; Y85-F214 AromaticContact CE2-CD1 3.47Å; Y85-F214 HydrophobicContact CE2-CD1 3.47Å; Y85-F214 VanDerWaalsContact CE2-CD1 3.47Å; Y85-F214 HydrophobicContact CE2-CD2 4.23Å; Y85-F214 HydrophobicContact CE2-CE1 4.03Å; Y85-F214 AromaticContact CE2-CG 3.58Å; Y85-F214 HydrophobicContact CE2-CG 3.58Å; Y85-F214 AromaticContact CZ-CG 3.97Å; Y85-F214 WeakPolarHBondContact OH-CB 3.38Å; L196-F214 HydrophobicContact CB-CZ 4.14Å; V197-F214 HydrophobicContact CB-CZ 4.24Å; V197-F214 HydrophobicContact CG2-CE1 3.65Å; V197-F214 HydrophobicContact CG2-CE2 4.15Å; V197-F214 HydrophobicContact CG2-CZ 3.39Å; Y200-F214 HydrophobicContact CD2-CD2 4.18Å; Y200-F214 HydrophobicContact CD2-CE2 4.01Å; Y200-F214 HydrophobicContact CG-CD2 4.39Å; Y200-F214 HydrophobicContact CG-CE2 4.06Å; L207-F214 HydrophobicContact CD2-CD2 3.97Å; L207-F214 HydrophobicContact CD2-CE2 3.84Å; P208-F214 HydrophobicContact CB-CB 4.46Å; P208-F214 HydrophobicContact CG-CB 4.23Å; S210-F214 PolarHBondContact O-N 3.36Å; L211-F214 HydrophobicContact CD1-CD1 4.31Å; L211-F214 PolarHBondContact O-N 3.33Å; F214-A216 VanDerWaalsContact C-N 3.32Å; F214-A216 PolarHBondContact O-N 2.83Å; F214-D217 PolarHBondContact O-N 2.94Å; F214-L218 HydrophobicContact CD1-CD1 4.05Å; F214-L218 HydrophobicContact CD2-CG 4.44Å; F214-L218 HydrophobicContact CE1-CD1 3.49Å; F214-L218 VanDerWaalsContact CE1-CD1 3.49Å; F214-L218 HydrophobicContact CE1-CG 4.29Å; F214-L218 HydrophobicContact CE2-CD1 4.12Å; F214-L218 HydrophobicContact CE2-CD2 4.39Å; F214-L218 HydrophobicContact CE2-CG 4.12Å; F214-L218 HydrophobicContact CZ-CD1 3.53Å; F214-L218 HydrophobicContact CZ-CD2 4.42Å; F214-L218 HydrophobicContact CZ-CG 4.05Å; F214-L218 WeakPolarHBondContact O-CB 3.44Å; F214-L218 WeakPolarHBondContact O-CG 3.23Å; F214-L218 PolarHBondContact O-N 3.01Å
215	T	97.9	Very high	96.5	Very high	11 Å²	11	30 Å²	30	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-70.4	-28.2	174.7	61.3	0	0	0	0	112.7	L211 G212 T213 C219 L484 A487	L211-T215 HydrophobicContact CD1-CG2 4.05Å; L211-T215 HydrophobicContact CG-CG2 4.41Å; L211-T215 WeakPolarHBondContact O-CG2 3.42Å; L211-T215 PolarHBondContact O-N 2.95Å; L211-T215 PolarHBondContact O-OG1 3.18Å; G212-T215 PolarHBondContact O-OG1 2.81Å; T213-T215 PolarHBondContact O-N 2.75Å; T215-C219 WeakPolarHBondContact O-CB 3.44Å; T215-C219 PolarHBondContact O-N 3.42Å; T215-L484 HydrophobicContact CG2-CD1 4.06Å; T215-L484 HydrophobicContact CG2-CD2 4.23Å; T215-L484 HydrophobicContact CG2-CG 4.33Å; T215-A487 PolarHBondContact OG1-O 3.19Å
216	A	97.3	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70.2	-44.2	171.7	0	0	0	0	0	111.9	G212 T213 F214 C219 E220 K488	G212-A216 WeakPolarHBondContact O-CB 3.28Å; G212-A216 PolarHBondContact O-N 3.33Å; T213-A216 WeakPolarHBondContact O-CB 3.43Å; T213-A216 PolarHBondContact O-N 3.33Å; F214-A216 VanDerWaalsContact C-N 3.32Å; F214-A216 PolarHBondContact O-N 2.83Å; A216-C219 PolarHBondContact O-N 3.36Å; A216-E220 PolarHBondContact O-N 2.72Å; A216-K488 HydrophobicContact CB-CB 4Å; A216-K488 HydrophobicContact CB-CD 4.21Å; A216-K488 HydrophobicContact CB-CG 3.83Å
217	D	97.6	Very high	96.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-52.6	175.6	-70	-10.7	0	0	0	110	Y200 P208 T213 F214 C219 E220 M221 S494 S495 H498	Y200-D217 HydrophobicContact CE2-CB 4.02Å; Y200-D217 PolarHBondContact OH-OD2 3Å; Y200-D217 VanDerWaalsContact OH-OD2 3.08Å; P208-D217 WeakPolarHBondContact CG-OD2 3.45Å; T213-D217 VanDerWaalsContact O-CG 3.32Å; T213-D217 PolarHBondContact O-N 3.43Å; F214-D217 PolarHBondContact O-N 2.94Å; D217-C219 VanDerWaalsContact C-N 3.33Å; D217-C219 PolarHBondContact O-N 3Å; D217-E220 CarbonylContact O-C 3.54Å; D217-E220 PolarHBondContact O-N 2.68Å; D217-M221 HydrophobicContact CB-SD 4.5Å; D217-M221 VanDerWaalsContact O-CG 3.27Å; D217-M221 WeakPolarHBondContact O-CG 3.11Å; D217-M221 PolarHBondContact O-N 2.85Å; D217-S494 VanDerWaalsContact OD1-C 3.28Å; D217-S494 WeakPolarHBondContact OD1-CA 3.2Å; D217-S494 WeakPolarHBondContact OD1-CB 3.36Å; D217-S495 PolarHBondContact OD1-N 3.17Å; D217-S495 WeakPolarHBondContact OD2-CB 3.44Å; D217-S495 PolarHBondContact OD2-N 3.45Å; D217-S495 PolarHBondContact OD2-OG 2.96Å; D217-H498 HydrophobicContact CB-CB 4.3Å; D217-H498 PolarHBondContact O-CE1 3.12Å; D217-H498 IonicContact OD1-CD2 3.69Å; D217-H498 PolarHBondContact OD1-CD2 3.27Å; D217-H498 IonicContact OD1-CG 3.78Å; D217-H498 IonicContact OD1-NE2 2.75Å
218	L	97.8	Very high	96.7	Very high	3 Å²	3	25 Å²	25	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-57.5	-40.8	176.6	-75.8	-176.3	0	0	0	113.6	L196 F214 E220 M221 F222 I226 V486	L196-L218 HydrophobicContact CB-CD1 4.3Å; L196-L218 HydrophobicContact CD1-CD1 4.19Å; L196-L218 HydrophobicContact CD2-CD1 4.48Å; L196-L218 HydrophobicContact CD2-CD2 4.12Å; F214-L218 HydrophobicContact CD1-CD1 4.05Å; F214-L218 HydrophobicContact CD2-CG 4.44Å; F214-L218 HydrophobicContact CE1-CD1 3.49Å; F214-L218 VanDerWaalsContact CE1-CD1 3.49Å; F214-L218 HydrophobicContact CE1-CG 4.29Å; F214-L218 HydrophobicContact CE2-CD1 4.12Å; F214-L218 HydrophobicContact CE2-CD2 4.39Å; F214-L218 HydrophobicContact CE2-CG 4.12Å; F214-L218 HydrophobicContact CZ-CD1 3.53Å; F214-L218 HydrophobicContact CZ-CD2 4.42Å; F214-L218 HydrophobicContact CZ-CG 4.05Å; F214-L218 WeakPolarHBondContact O-CB 3.44Å; F214-L218 WeakPolarHBondContact O-CG 3.23Å; F214-L218 PolarHBondContact O-N 3.01Å; L218-E220 PolarHBondContact O-N 3.22Å; L218-M221 HydrophobicContact CD2-CE 4.48Å; L218-M221 HydrophobicContact CD2-SD 4.05Å; L218-M221 PolarHBondContact O-N 2.88Å; L218-F222 HydrophobicContact CD2-CD2 4.33Å; L218-F222 HydrophobicContact CD2-CE2 4.13Å; L218-F222 PolarHBondContact O-N 3.06Å; L218-I226 HydrophobicContact CB-CD1 4.1Å; L218-I226 HydrophobicContact CD1-CD1 4.26Å; L218-I226 HydrophobicContact CD2-CD1 4.35Å; L218-I226 HydrophobicContact CG-CD1 4.49Å; L218-V486 HydrophobicContact CB-CG1 3.68Å
219	C	96.1	Very high	96.7	Very high	36 Å²	36	24.4 Å²	24.4	24%	0.243	15%	0.145	C	C	.	.	H	α-helix	trans	-64.4	-25.9	178.1	-173.2	0	0	0	0	112.5	T215 A216 D217 V486	T215-C219 WeakPolarHBondContact O-CB 3.44Å; T215-C219 PolarHBondContact O-N 3.42Å; A216-C219 PolarHBondContact O-N 3.36Å; D217-C219 VanDerWaalsContact C-N 3.33Å; D217-C219 PolarHBondContact O-N 3Å; C219-V486 HydrophobicContact CB-CG1 4.09Å
220	E	95.3	Very high	96.9	Very high	51 Å²	51	17.4 Å²	17.4	24%	0.238	11%	0.112	C	C	.	.	H	α-helix	trans	-90.6	-33	174	-71.8	175.3	164.2	0	0	111.8	A216 D217 L218 F222 K488 S494 H498 M502 W506	A216-E220 PolarHBondContact O-N 2.72Å; D217-E220 CarbonylContact O-C 3.54Å; D217-E220 PolarHBondContact O-N 2.68Å; L218-E220 PolarHBondContact O-N 3.22Å; E220-F222 PolarHBondContact O-N 3.48Å; E220-K488 WeakPolarHBondContact OE1-CD 3.11Å; E220-K488 IonicContact OE1-NZ 3.75Å; E220-K488 PolarHBondContact OE1-NZ 3.5Å; E220-K488 IonicContact OE2-NZ 3.61Å; E220-S494 PolarHBondContact OE1-OG 2.94Å; E220-S494 VanDerWaalsContact OE2-CB 3.28Å; E220-S494 WeakPolarHBondContact OE2-CB 3.33Å; E220-S494 PolarHBondContact OE2-OG 2.86Å; E220-H498 WeakPolarHBondContact CB-NE2 3.42Å; E220-H498 IonicContact OE2-CD2 3.18Å; E220-H498 IonicContact OE2-CE1 3.43Å; E220-H498 IonicContact OE2-NE2 3.71Å; E220-H498 PolarHBondContact OE2-NE2 3.12Å; E220-M502 WeakPolarHBondContact O-CE 3.24Å; E220-W506 WeakPolarHBondContact O-CH2 3.38Å; E220-W506 VanDerWaalsContact O-CZ2 3.28Å; E220-W506 WeakPolarHBondContact O-CZ2 3.41Å
221	M	95.4	Very high	97	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-63.3	-38.8	175.3	-69.1	162.8	75.2	0	0	112.4	F177 I181 Y200 Y204 D217 L218 P223 M502	F177-M221 HydrophobicContact CE1-CE 3.68Å; F177-M221 HydrophobicContact CZ-CE 4.01Å; I181-M221 HydrophobicContact CD1-CB 4.4Å; I181-M221 HydrophobicContact CD1-CE 3.61Å; I181-M221 HydrophobicContact CD1-CG 4.28Å; I181-M221 HydrophobicContact CG1-CB 4.36Å; I181-M221 HydrophobicContact CG1-CE 4.46Å; Y200-M221 HydrophobicContact CD2-CE 4.07Å; Y200-M221 HydrophobicContact CD2-SD 3.87Å; Y200-M221 HydrophobicContact CE2-CE 4.45Å; Y200-M221 HydrophobicContact CE2-SD 3.83Å; Y204-M221 HydrophobicContact CD1-CE 4.15Å; Y204-M221 HydrophobicContact CD1-SD 4.42Å; Y204-M221 HydrophobicContact CD2-CE 3.88Å; Y204-M221 HydrophobicContact CE1-CE 4.33Å; Y204-M221 HydrophobicContact CE1-SD 4.18Å; Y204-M221 HydrophobicContact CE2-CE 4.07Å; Y204-M221 HydrophobicContact CG-CE 3.92Å; D217-M221 HydrophobicContact CB-SD 4.5Å; D217-M221 VanDerWaalsContact O-CG 3.27Å; D217-M221 WeakPolarHBondContact O-CG 3.11Å; D217-M221 PolarHBondContact O-N 2.85Å; L218-M221 HydrophobicContact CD2-CE 4.48Å; L218-M221 HydrophobicContact CD2-SD 4.05Å; L218-M221 PolarHBondContact O-N 2.88Å; M221-P223 VanDerWaalsContact O-CD 3.31Å; M221-P223 WeakPolarHBondContact O-CD 3.28Å; M221-M502 HydrophobicContact CG-SD 4.42Å
222	F	96.1	Very high	96.9	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.018	10%	0.095	C	C	.	.			trans	-123.2	71.4	-173.3	-58.3	-72.8	0	0	0	112	F177 I181 L187 L218 E220 A224 G225 I226	F177-F222 HydrophobicContact CE2-CZ 4.41Å; F177-F222 HydrophobicContact CZ-CZ 4.06Å; I181-F222 HydrophobicContact CG1-CE1 3.94Å; I181-F222 HydrophobicContact CG1-CZ 3.85Å; L187-F222 HydrophobicContact CB-CD1 3.92Å; L187-F222 HydrophobicContact CB-CE1 4.32Å; L187-F222 HydrophobicContact CB-CG 4.25Å; L187-F222 HydrophobicContact CD1-CE1 4.46Å; L187-F222 HydrophobicContact CD2-CD1 4.08Å; L187-F222 HydrophobicContact CD2-CD2 4.1Å; L187-F222 HydrophobicContact CD2-CE1 3.85Å; L187-F222 HydrophobicContact CD2-CE2 3.86Å; L187-F222 HydrophobicContact CD2-CG 4.21Å; L187-F222 HydrophobicContact CD2-CZ 3.74Å; L187-F222 HydrophobicContact CG-CE1 4.44Å; L218-F222 HydrophobicContact CD2-CD2 4.33Å; L218-F222 HydrophobicContact CD2-CE2 4.13Å; L218-F222 PolarHBondContact O-N 3.06Å; E220-F222 PolarHBondContact O-N 3.48Å; F222-A224 PolarHBondContact O-N 2.85Å; F222-G225 PolarHBondContact O-N 2.81Å; F222-I226 HydrophobicContact CB-CD1 4.3Å; F222-I226 HydrophobicContact CB-CG1 3.78Å; F222-I226 HydrophobicContact CD2-CD1 3.84Å; F222-I226 HydrophobicContact CD2-CG1 4.15Å; F222-I226 HydrophobicContact CG-CD1 4.37Å; F222-I226 HydrophobicContact CG-CG1 4.17Å
223	P	94.3	Very high	96.8	Very high	67 Å²	67	14.6 Å²	14.6	44%	0.435	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.6	-172.3	28.8	-36.8	0	0	0	114.6	R184 M221 G225 W506	R184-P223 HydrophobicContact CB-CG 4.21Å; R184-P223 HydrophobicContact CG-CG 4.01Å; M221-P223 VanDerWaalsContact O-CD 3.31Å; M221-P223 WeakPolarHBondContact O-CD 3.28Å; P223-G225 VanDerWaalsContact C-N 3.32Å; P223-W506 HydrophobicContact CG-CZ2 4.21Å
224	A	94.9	Very high	96.7	Very high	35 Å²	35	16 Å²	16	29%	0.289	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2.3	171.8	0	0	0	0	0	113.5	R184 P186 F222	R184-A224 VanDerWaalsContact O-CB 3.23Å; R184-A224 WeakPolarHBondContact O-CB 3.39Å; P186-A224 HydrophobicContact CG-CB 4.01Å; F222-A224 PolarHBondContact O-N 2.85Å
225	G	96.4	Very high	96.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.			trans	102.2	151.3	173	0	0	0	0	0	114.9	P186 L187 F222 P223 H472 N473	P186-G225 WeakPolarHBondContact CA-O 3.48Å; L187-G225 PolarHBondContact N-O 2.81Å; F222-G225 PolarHBondContact O-N 2.81Å; P223-G225 VanDerWaalsContact C-N 3.32Å; G225-H472 WeakPolarHBondContact CA-NE2 3.45Å; G225-N473 VanDerWaalsContact CA-OD1 3.24Å; G225-N473 WeakPolarHBondContact CA-OD1 3.49Å
226	I	98.4	Very high	96	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.9	166.9	-54.6	-178.1	0	0	0	108.3	L187 L189 L196 L218 F222 N473 V475 V486	L187-I226 CarbonylContact O-C 3.58Å; L187-I226 WeakPolarHBondContact O-CA 3.49Å; L189-I226 HydrophobicContact CD1-CG2 3.8Å; L196-I226 HydrophobicContact CD1-CD1 4.36Å; L196-I226 HydrophobicContact CD1-CG2 4.14Å; L196-I226 HydrophobicContact CD2-CD1 4.06Å; L218-I226 HydrophobicContact CB-CD1 4.1Å; L218-I226 HydrophobicContact CD1-CD1 4.26Å; L218-I226 HydrophobicContact CD2-CD1 4.35Å; L218-I226 HydrophobicContact CG-CD1 4.49Å; F222-I226 HydrophobicContact CB-CD1 4.3Å; F222-I226 HydrophobicContact CB-CG1 3.78Å; F222-I226 HydrophobicContact CD2-CD1 3.84Å; F222-I226 HydrophobicContact CD2-CG1 4.15Å; F222-I226 HydrophobicContact CG-CD1 4.37Å; F222-I226 HydrophobicContact CG-CG1 4.17Å; I226-N473 PolarHBondContact N-OD1 2.97Å; I226-N473 VanDerWaalsContact O-CA 3.24Å; I226-N473 WeakPolarHBondContact O-CA 3.44Å; I226-N473 PolarHBondContact O-N 3.19Å; I226-V475 HydrophobicContact CG2-CG2 4.09Å; I226-V486 HydrophobicContact CD1-CG1 4.2Å; I226-V486 HydrophobicContact CD1-CG2 4.44Å
227	Y	98.2	Very high	95.7	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.9	-177.1	-66.1	-92.6	0	0	0	110.5	P186 L187 V188 L189 M450 W467 L468 C471 H472	P186-Y227 HydrophobicContact CB-CD2 4.03Å; P186-Y227 HydrophobicContact CB-CE2 3.87Å; L187-Y227 PolarHBondContact O-N 2.94Å; V188-Y227 WeakPolarHBondContact CA-O 3.46Å; L189-Y227 PolarHBondContact N-O 2.91Å; Y227-M450 HydrophobicContact CD1-CE 3.41Å; Y227-M450 VanDerWaalsContact CD1-CE 3.41Å; Y227-M450 HydrophobicContact CD2-CE 4.38Å; Y227-M450 HydrophobicContact CE1-CE 4.03Å; Y227-M450 HydrophobicContact CG-CE 3.6Å; Y227-W467 PolarHBondContact OH-N 3.11Å; Y227-W467 VanDerWaalsContact OH-N 3.15Å; Y227-L468 HydrophobicContact CD1-CB 4.44Å; Y227-L468 HydrophobicContact CE1-CB 3.98Å; Y227-L468 WeakPolarHBondContact CE1-O 3.27Å; Y227-C471 HydrophobicContact CD1-CB 3.94Å; Y227-C471 HydrophobicContact CE1-CB 4.41Å; Y227-H472 HydrophobicContact CE1-CB 4Å; Y227-H472 AromaticContact CZ-CD2 3.96Å; Y227-H472 PolarHBondContact OH-CD2 2.73Å
228	D	98.6	Very high	95.5	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.011	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.5	176.3	-168.4	-40.6	0	0	0	110.6	N191 G192 K230 Y231 A232 K474 Y476	N191-D228 VanDerWaalsContact CA-OD2 3.28Å; N191-D228 WeakPolarHBondContact CA-OD2 3.24Å; N191-D228 PolarHBondContact N-OD1 3.47Å; N191-D228 PolarHBondContact N-OD2 3.5Å; G192-D228 PolarHBondContact N-OD2 3.49Å; D228-K230 PolarHBondContact O-N 3.1Å; D228-K230 WeakPolarHBondContact OD1-CA 3.36Å; D228-K230 VanDerWaalsContact OD1-CB 3.23Å; D228-K230 WeakPolarHBondContact OD1-CB 3.49Å; D228-K230 PolarHBondContact OD1-N 3.49Å; D228-Y231 WeakPolarHBondContact O-CB 3.44Å; D228-Y231 PolarHBondContact O-N 2.76Å; D228-Y231 VanDerWaalsContact O-N 3.14Å; D228-Y231 PolarHBondContact OD1-N 2.82Å; D228-A232 PolarHBondContact O-N 3.46Å; D228-K474 VanDerWaalsContact CB-O 3.28Å; D228-K474 WeakPolarHBondContact CB-O 3.32Å; D228-Y476 VanDerWaalsContact OD2-CB 3.26Å; D228-Y476 WeakPolarHBondContact OD2-CB 3.39Å; D228-Y476 PolarHBondContact OD2-N 3.14Å
229	T	97.9	Very high	95.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.9	-23.6	-178.2	56.8	0	0	0	0	113.2	V188 L189 H190 A232 A233 T446 V449 M450	V188-T229 HydrophobicContact CG1-CG2 3.62Å; L189-T229 PolarHBondContact O-N 2.71Å; L189-T229 PolarHBondContact O-OG1 3.46Å; H190-T229 WeakPolarHBondContact CA-OG1 3.34Å; H190-T229 WeakPolarHBondContact CB-OG1 3.33Å; H190-T229 PolarHBondContact ND1-OG1 2.83Å; T229-A232 PolarHBondContact O-N 2.85Å; T229-A233 VanDerWaalsContact O-CB 3.29Å; T229-A233 WeakPolarHBondContact O-CB 3.37Å; T229-A233 PolarHBondContact O-N 3.34Å; T229-T446 HydrophobicContact CG2-CG2 3.88Å; T229-T446 WeakPolarHBondContact CG2-O 3.03Å; T229-V449 HydrophobicContact CG2-CB 4.39Å; T229-V449 HydrophobicContact CG2-CG1 4.27Å; T229-M450 HydrophobicContact CG2-CB 3.96Å
230	K	97.6	Very high	95.2	Very high	30 Å²	30	33 Å²	33	13%	0.13	17%	0.168	C	C	.	.	H	α-helix	trans	-70.6	-40	172	-169.2	160.6	-166.2	125.3	0	111	N191 D228 E234 S242 Y476	N191-K230 HydrophobicContact CB-CB 4.43Å; N191-K230 HydrophobicContact CB-CD 3.77Å; D228-K230 PolarHBondContact O-N 3.1Å; D228-K230 WeakPolarHBondContact OD1-CA 3.36Å; D228-K230 VanDerWaalsContact OD1-CB 3.23Å; D228-K230 WeakPolarHBondContact OD1-CB 3.49Å; D228-K230 PolarHBondContact OD1-N 3.49Å; K230-E234 WeakPolarHBondContact O-CB 3.23Å; K230-E234 PolarHBondContact O-N 2.97Å; K230-S242 WeakPolarHBondContact CD-O 3.48Å; K230-S242 WeakPolarHBondContact CE-O 3.22Å; K230-S242 VanDerWaalsContact CE-OG 3.28Å; K230-S242 WeakPolarHBondContact CE-OG 3.4Å; K230-S242 VanDerWaalsContact CG-O 3.3Å; K230-S242 WeakPolarHBondContact CG-O 3.18Å; K230-S242 PolarHBondContact NZ-O 2.9Å; K230-Y476 HydrophobicContact CB-CD1 4.35Å; K230-Y476 HydrophobicContact CB-CD2 4.2Å; K230-Y476 HydrophobicContact CB-CG 3.98Å; K230-Y476 HydrophobicContact CD-CD1 3.62Å; K230-Y476 HydrophobicContact CD-CD2 4.45Å; K230-Y476 HydrophobicContact CD-CE1 3.55Å; K230-Y476 HydrophobicContact CD-CE2 4.38Å; K230-Y476 HydrophobicContact CD-CG 4.08Å; K230-Y476 HydrophobicContact CG-CD1 3.86Å; K230-Y476 HydrophobicContact CG-CD2 3.79Å; K230-Y476 HydrophobicContact CG-CE1 3.93Å; K230-Y476 HydrophobicContact CG-CE2 3.86Å; K230-Y476 HydrophobicContact CG-CG 3.78Å
231	Y	97.1	Very high	95.1	Very high	37 Å²	37	30.8 Å²	30.8	15%	0.145	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-44.9	171.2	-175.7	-101.5	0	0	0	111.4	D228 E234 F235 C471 K474 P483	D228-Y231 WeakPolarHBondContact O-CB 3.44Å; D228-Y231 PolarHBondContact O-N 2.76Å; D228-Y231 VanDerWaalsContact O-N 3.14Å; D228-Y231 PolarHBondContact OD1-N 2.82Å; Y231-E234 PolarHBondContact O-N 3Å; Y231-F235 HydrophobicContact CD2-CB 4.01Å; Y231-F235 AromaticContact CD2-CD2 3.27Å; Y231-F235 HydrophobicContact CD2-CD2 3.27Å; Y231-F235 AromaticContact CD2-CE2 3.9Å; Y231-F235 HydrophobicContact CD2-CE2 3.9Å; Y231-F235 AromaticContact CD2-CG 3.81Å; Y231-F235 HydrophobicContact CD2-CG 3.81Å; Y231-F235 HydrophobicContact CE1-CB 4.38Å; Y231-F235 HydrophobicContact CE2-CB 3.6Å; Y231-F235 HydrophobicContact CE2-CD1 4.17Å; Y231-F235 AromaticContact CE2-CD2 3.43Å; Y231-F235 HydrophobicContact CE2-CD2 3.43Å; Y231-F235 VanDerWaalsContact CE2-CD2 3.43Å; Y231-F235 HydrophobicContact CE2-CE2 4.09Å; Y231-F235 AromaticContact CE2-CG 3.46Å; Y231-F235 HydrophobicContact CE2-CG 3.46Å; Y231-F235 VanDerWaalsContact CE2-CG 3.46Å; Y231-F235 HydrophobicContact CG-CD2 4.2Å; Y231-F235 WeakPolarHBondContact O-CB 3.28Å; Y231-F235 PolarHBondContact O-N 2.85Å; Y231-C471 HydrophobicContact CD1-CB 4.39Å; Y231-K474 HydrophobicContact CD1-CB 3.54Å; Y231-K474 HydrophobicContact CD1-CG 4.26Å; Y231-K474 HydrophobicContact CE1-CB 3.57Å; Y231-K474 HydrophobicContact CE1-CG 3.79Å; Y231-K474 HydrophobicContact CG-CB 4.07Å; Y231-P483 HydrophobicContact CD2-CB 3.8Å; Y231-P483 HydrophobicContact CD2-CG 4.12Å; Y231-P483 HydrophobicContact CE2-CB 3.77Å; Y231-P483 HydrophobicContact CE2-CG 3.54Å
232	A	95.6	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	I	π-helix	trans	-60.1	-47.5	176.4	0	0	0	0	0	112.2	D228 T229 H236 A237	D228-A232 PolarHBondContact O-N 3.46Å; T229-A232 PolarHBondContact O-N 2.85Å; A232-H236 CarbonylContact O-C 3.57Å; A232-H236 WeakPolarHBondContact O-CA 3.33Å; A232-H236 WeakPolarHBondContact O-CB 3.16Å; A232-H236 PolarHBondContact O-N 2.87Å; A232-A237 PolarHBondContact O-N 2.87Å
233	A	95.3	Very high	95	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	I	π-helix	trans	-60.9	-47.7	178.4	0	0	0	0	0	112.6	T229 A237 R238 F239 A247	T229-A233 VanDerWaalsContact O-CB 3.29Å; T229-A233 WeakPolarHBondContact O-CB 3.37Å; T229-A233 PolarHBondContact O-N 3.34Å; A233-A237 CarbonylContact O-C 3.55Å; A233-R238 PolarHBondContact O-N 2.69Å; A233-F239 HydrophobicContact CB-CB 4.41Å; A233-F239 HydrophobicContact CB-CD2 3.84Å; A233-F239 HydrophobicContact CB-CE2 4.45Å; A233-F239 HydrophobicContact CB-CG 4.27Å; A233-F239 PolarHBondContact O-N 3.11Å; A233-A247 HydrophobicContact CB-CB 4.38Å
234	E	94	Very high	95.1	Very high	57 Å²	57	29.7 Å²	29.7	27%	0.266	15%	0.148	S	C	.	.	I	π-helix	trans	-84.3	-41.6	-170.7	-165.8	173.2	122.1	0	0	113.7	K230 Y231 R238 S242 Y476	K230-E234 WeakPolarHBondContact O-CB 3.23Å; K230-E234 PolarHBondContact O-N 2.97Å; Y231-E234 PolarHBondContact O-N 3Å; E234-R238 WeakPolarHBondContact O-CD 3.41Å; E234-S242 WeakPolarHBondContact OE2-CB 3.35Å; E234-S242 PolarHBondContact OE2-OG 2.92Å; E234-Y476 HydrophobicContact CB-CE2 4.39Å; E234-Y476 PolarHBondContact OE1-OH 3.5Å; E234-Y476 WeakPolarHBondContact OE2-CE2 3.27Å; E234-Y476 PolarHBondContact OE2-OH 3.21Å
235	F	92.3	Very high	95	Very high	40 Å²	40	29.6 Å²	29.6	18%	0.175	14%	0.142	C	C	.	.	I	π-helix	trans	-101.5	-26.6	-172.5	-67.8	-88.3	0	0	0	114.3	Y231 R238 Y476	Y231-F235 HydrophobicContact CD2-CB 4.01Å; Y231-F235 AromaticContact CD2-CD2 3.27Å; Y231-F235 HydrophobicContact CD2-CD2 3.27Å; Y231-F235 AromaticContact CD2-CE2 3.9Å; Y231-F235 HydrophobicContact CD2-CE2 3.9Å; Y231-F235 AromaticContact CD2-CG 3.81Å; Y231-F235 HydrophobicContact CD2-CG 3.81Å; Y231-F235 HydrophobicContact CE1-CB 4.38Å; Y231-F235 HydrophobicContact CE2-CB 3.6Å; Y231-F235 HydrophobicContact CE2-CD1 4.17Å; Y231-F235 AromaticContact CE2-CD2 3.43Å; Y231-F235 HydrophobicContact CE2-CD2 3.43Å; Y231-F235 VanDerWaalsContact CE2-CD2 3.43Å; Y231-F235 HydrophobicContact CE2-CE2 4.09Å; Y231-F235 AromaticContact CE2-CG 3.46Å; Y231-F235 HydrophobicContact CE2-CG 3.46Å; Y231-F235 VanDerWaalsContact CE2-CG 3.46Å; Y231-F235 HydrophobicContact CG-CD2 4.2Å; Y231-F235 WeakPolarHBondContact O-CB 3.28Å; Y231-F235 PolarHBondContact O-N 2.85Å; F235-R238 PolarHBondContact O-NE 3.46Å; F235-R238 PolarHBondContact O-NH2 2.94Å; F235-Y476 HydrophobicContact CD2-CD2 4.44Å; F235-Y476 HydrophobicContact CD2-CE2 4.43Å; F235-Y476 AromaticContact CE2-CD2 3.97Å; F235-Y476 HydrophobicContact CE2-CD2 3.97Å; F235-Y476 AromaticContact CE2-CE2 3.74Å; F235-Y476 HydrophobicContact CE2-CE2 3.74Å
236	H	90.1	Very high	94.9	Very high	48 Å²	48	29.7 Å²	29.7	22%	0.222	14%	0.142	C	C	.	.	I	π-helix	trans	-99.8	-63.7	177.7	177.9	79.2	0	0	0	111.2	A232 R238 Q457 E470	A232-H236 CarbonylContact O-C 3.57Å; A232-H236 WeakPolarHBondContact O-CA 3.33Å; A232-H236 WeakPolarHBondContact O-CB 3.16Å; A232-H236 PolarHBondContact O-N 2.87Å; H236-R238 VanDerWaalsContact C-N 3.31Å; H236-R238 PolarHBondContact O-N 3.15Å; H236-Q457 PolarHBondContact CE1-NE2 3Å; H236-Q457 PolarHBondContact NE2-NE2 3.16Å; H236-E470 IonicContact CE1-OE2 2.73Å; H236-E470 IonicContact CG-OE2 3.61Å; H236-E470 IonicContact ND1-OE2 3.7Å; H236-E470 PolarHBondContact ND1-OE2 3.14Å
237	A	91.6	Very high	94.8	Very high	32 Å²	32	29.6 Å²	29.6	26%	0.264	14%	0.142	S	C	.	.	S	Bend	trans	-76.3	-11.7	-177.2	0	0	0	0	0	114.8	A232 A233 F239	A232-A237 PolarHBondContact O-N 2.87Å; A233-A237 CarbonylContact O-C 3.55Å; A237-F239 HydrophobicContact CB-CD1 3.81Å; A237-F239 HydrophobicContact CB-CE1 3.65Å; A237-F239 HydrophobicContact CB-CZ 4.32Å; A237-F239 PolarHBondContact O-N 2.87Å
238	R	92.2	Very high	94.7	Very high	172 Å²	172	29.6 Å²	29.6	65%	0.649	14%	0.142	S	C	*	.			trans	54.7	47.7	176.2	-55	-54.5	-177.3	166.1	-5.1	114	A233 E234 F235 H236	A233-R238 PolarHBondContact O-N 2.69Å; E234-R238 WeakPolarHBondContact O-CD 3.41Å; F235-R238 PolarHBondContact O-NE 3.46Å; F235-R238 PolarHBondContact O-NH2 2.94Å; H236-R238 VanDerWaalsContact C-N 3.31Å; H236-R238 PolarHBondContact O-N 3.15Å
239	F	94	Very high	94.5	Very high	17 Å²	17	29.7 Å²	29.7	8%	0.075	14%	0.142	C	C	.	.			trans	-67.7	156.9	169.7	-70.4	9.2	0	0	0	110.9	A233 A237 A241 Y246 A247 K250	A233-F239 HydrophobicContact CB-CB 4.41Å; A233-F239 HydrophobicContact CB-CD2 3.84Å; A233-F239 HydrophobicContact CB-CE2 4.45Å; A233-F239 HydrophobicContact CB-CG 4.27Å; A233-F239 PolarHBondContact O-N 3.11Å; A237-F239 HydrophobicContact CB-CD1 3.81Å; A237-F239 HydrophobicContact CB-CE1 3.65Å; A237-F239 HydrophobicContact CB-CZ 4.32Å; A237-F239 PolarHBondContact O-N 2.87Å; F239-A241 WeakPolarHBondContact CB-O 3.27Å; F239-Y246 HydrophobicContact CB-CE1 4.2Å; F239-Y246 HydrophobicContact CD2-CE1 4.42Å; F239-A247 HydrophobicContact CD2-CB 4.28Å; F239-A247 HydrophobicContact CE2-CB 4.3Å; F239-K250 HydrophobicContact CD1-CD 3.96Å; F239-K250 VanDerWaalsContact CD1-NZ 3.26Å; F239-K250 HydrophobicContact CD2-CD 3.94Å; F239-K250 HydrophobicContact CE1-CD 3.94Å; F239-K250 HydrophobicContact CE2-CB 4.19Å; F239-K250 HydrophobicContact CE2-CD 3.95Å; F239-K250 HydrophobicContact CE2-CG 4.25Å; F239-K250 HydrophobicContact CG-CD 3.95Å; F239-K250 HydrophobicContact CZ-CD 3.94Å; F239-K250 HydrophobicContact CZ-CG 4.17Å
240	V	92.9	Very high	94.3	Very high	97 Å²	97	30.8 Å²	30.8	59%	0.588	15%	0.147	S	C	*	.	S	Bend	trans	-82.9	-43.7	-176.7	-173.1	0	0	0	0	110.8	Y246 D328	V240-Y246 WeakPolarHBondContact CB-OH 3.41Å; V240-D328 HydrophobicContact CB-CB 4.49Å; V240-D328 WeakPolarHBondContact CB-OD2 3.1Å; V240-D328 WeakPolarHBondContact CG1-OD1 3.2Å; V240-D328 HydrophobicContact CG2-CB 4.12Å
241	A	94.1	Very high	94.2	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.041	14%	0.141	C	C	.	.			trans	-108.8	159.1	163.8	0	0	0	0	0	110.8	F239 Y243 Y246 S304	F239-A241 WeakPolarHBondContact CB-O 3.27Å; A241-Y243 HydrophobicContact CB-CD1 3.96Å; A241-Y243 HydrophobicContact CB-CE1 3.79Å; A241-Y246 HydrophobicContact CB-CD1 3.94Å; A241-Y246 HydrophobicContact CB-CD2 3.87Å; A241-Y246 HydrophobicContact CB-CE1 4.05Å; A241-Y246 HydrophobicContact CB-CE2 3.91Å; A241-Y246 HydrophobicContact CB-CG 3.87Å; A241-Y246 VanDerWaalsContact O-CD1 3.27Å; A241-Y246 WeakPolarHBondContact O-CD1 3.41Å; A241-Y246 VanDerWaalsContact O-CE1 3.24Å; A241-Y246 WeakPolarHBondContact O-CE1 3.43Å; A241-S304 WeakPolarHBondContact CB-O 3.36Å
242	S	94.9	Very high	94.1	Very high	12 Å²	12	29.2 Å²	29.2	8%	0.084	14%	0.142	C	C	.	.			trans	-136	21.7	-171.8	63.1	0	0	0	0	113.2	H190 K230 E234	H190-S242 PolarHBondContact CE1-O 3.28Å; H190-S242 PolarHBondContact NE2-O 2.84Å; K230-S242 WeakPolarHBondContact CD-O 3.48Å; K230-S242 WeakPolarHBondContact CE-O 3.22Å; K230-S242 VanDerWaalsContact CE-OG 3.28Å; K230-S242 WeakPolarHBondContact CE-OG 3.4Å; K230-S242 VanDerWaalsContact CG-O 3.3Å; K230-S242 WeakPolarHBondContact CG-O 3.18Å; K230-S242 PolarHBondContact NZ-O 2.9Å; E234-S242 WeakPolarHBondContact OE2-CB 3.35Å; E234-S242 PolarHBondContact OE2-OG 2.92Å
243	Y	95.5	Very high	93.9	Very high	20 Å²	20	31.2 Å²	31.2	8%	0.078	15%	0.149	C	C	.	.	S	Bend	trans	-81.1	153.5	166.7	62.6	-88	0	0	0	110.9	A241 E245 Y246 A247 F303 G307 I321	A241-Y243 HydrophobicContact CB-CD1 3.96Å; A241-Y243 HydrophobicContact CB-CE1 3.79Å; Y243-E245 HydrophobicContact CD2-CB 4.36Å; Y243-E245 HydrophobicContact CE2-CB 4.38Å; Y243-E245 PolarHBondContact O-N 3.07Å; Y243-Y246 HydrophobicContact CE1-CD2 4.47Å; Y243-Y246 HydrophobicContact CE1-CG 4.37Å; Y243-Y246 PolarHBondContact O-N 2.94Å; Y243-A247 PolarHBondContact O-N 2.84Å; Y243-F303 WeakPolarHBondContact CE1-O 3.48Å; Y243-F303 PolarHBondContact OH-O 3.47Å; Y243-G307 VanDerWaalsContact CD1-N 3.3Å; Y243-G307 VanDerWaalsContact CE1-N 3.31Å; Y243-I321 HydrophobicContact CE2-CD1 3.91Å
244	L	95.4	Very high	93.8	Very high	17 Å²	17	33.6 Å²	33.6	9%	0.089	16%	0.16	C	C	.	.	H	α-helix	trans	-56.9	-49.5	-165	-179.4	56.8	0	0	0	113.1	H190 Y246 A247 F248 D442 M445 T446	H190-L244 HydrophobicContact CB-CD1 4.27Å; H190-L244 PolarHBondContact CE1-N 2.97Å; H190-L244 PolarHBondContact NE2-N 2.85Å; L244-Y246 PolarHBondContact O-N 2.88Å; L244-A247 PolarHBondContact O-N 2.86Å; L244-F248 WeakPolarHBondContact O-CB 3.23Å; L244-F248 PolarHBondContact O-N 2.9Å; L244-D442 HydrophobicContact CD2-CB 3.69Å; L244-M445 HydrophobicContact CD1-CB 3.98Å; L244-M445 HydrophobicContact CD2-CB 4.26Å; L244-M445 HydrophobicContact CD2-CE 4.07Å; L244-M445 HydrophobicContact CG-CB 4.06Å; L244-M445 HydrophobicContact CG-CE 4.23Å; L244-T446 WeakPolarHBondContact CD1-OG1 3.37Å
245	E	93.2	Very high	93.8	Very high	34 Å²	34	30.9 Å²	30.9	16%	0.159	15%	0.148	C	C	.	.	H	α-helix	trans	-63.3	-45.2	-177.6	-167	-176.1	177.1	0	0	112.4	Y243 A247 F248 R249 I321 L436	Y243-E245 HydrophobicContact CD2-CB 4.36Å; Y243-E245 HydrophobicContact CE2-CB 4.38Å; Y243-E245 PolarHBondContact O-N 3.07Å; E245-A247 VanDerWaalsContact C-N 3.34Å; E245-A247 PolarHBondContact O-N 3.36Å; E245-F248 PolarHBondContact O-N 3.24Å; E245-R249 HydrophobicContact CG-CG 4.14Å; E245-R249 VanDerWaalsContact O-CB 3.26Å; E245-R249 WeakPolarHBondContact O-CB 3.27Å; E245-R249 WeakPolarHBondContact O-CG 3.33Å; E245-R249 PolarHBondContact O-N 3.43Å; E245-R249 IonicContact OE1-NE 3.97Å; E245-R249 IonicContact OE1-NH2 3.24Å; E245-I321 HydrophobicContact CB-CD1 3.94Å; E245-I321 HydrophobicContact CG-CD1 3.58Å; E245-I321 WeakPolarHBondContact OE2-CD1 3.28Å; E245-L436 HydrophobicContact CB-CD2 4.43Å; E245-L436 HydrophobicContact CG-CD2 3.67Å; E245-L436 VanDerWaalsContact OE1-CD2 3.23Å; E245-L436 WeakPolarHBondContact OE1-CD2 3.44Å
246	Y	94.9	Very high	93.9	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-59.6	-44.3	174	174.5	-75	0	0	0	111.7	F239 V240 A241 Y243 L244 K250 I324 I325 D328	F239-Y246 HydrophobicContact CB-CE1 4.2Å; F239-Y246 HydrophobicContact CD2-CE1 4.42Å; V240-Y246 WeakPolarHBondContact CB-OH 3.41Å; A241-Y246 HydrophobicContact CB-CD1 3.94Å; A241-Y246 HydrophobicContact CB-CD2 3.87Å; A241-Y246 HydrophobicContact CB-CE1 4.05Å; A241-Y246 HydrophobicContact CB-CE2 3.91Å; A241-Y246 HydrophobicContact CB-CG 3.87Å; A241-Y246 VanDerWaalsContact O-CD1 3.27Å; A241-Y246 WeakPolarHBondContact O-CD1 3.41Å; A241-Y246 VanDerWaalsContact O-CE1 3.24Å; A241-Y246 WeakPolarHBondContact O-CE1 3.43Å; Y243-Y246 HydrophobicContact CE1-CD2 4.47Å; Y243-Y246 HydrophobicContact CE1-CG 4.37Å; Y243-Y246 PolarHBondContact O-N 2.94Å; L244-Y246 PolarHBondContact O-N 2.88Å; Y246-K250 HydrophobicContact CE1-CD 4.03Å; Y246-K250 WeakPolarHBondContact O-CB 3.31Å; Y246-K250 PolarHBondContact O-N 3.06Å; Y246-I324 HydrophobicContact CD2-CG2 4.01Å; Y246-I324 HydrophobicContact CE2-CG2 3.87Å; Y246-I325 HydrophobicContact CD2-CD1 4.35Å; Y246-I325 HydrophobicContact CD2-CG1 3.72Å; Y246-I325 HydrophobicContact CE2-CG1 3.57Å; Y246-I325 HydrophobicContact CG-CG1 4.4Å; Y246-D328 VanDerWaalsContact CE2-OD2 3.28Å; Y246-D328 WeakPolarHBondContact CE2-OD2 3.5Å; Y246-D328 PolarHBondContact OH-OD2 3.15Å
247	A	96.4	Very high	94	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-46	179.4	0	0	0	0	0	110.7	A233 F239 Y243 L244 E245 C251 V449	A233-A247 HydrophobicContact CB-CB 4.38Å; F239-A247 HydrophobicContact CD2-CB 4.28Å; F239-A247 HydrophobicContact CE2-CB 4.3Å; Y243-A247 PolarHBondContact O-N 2.84Å; L244-A247 PolarHBondContact O-N 2.86Å; E245-A247 VanDerWaalsContact C-N 3.34Å; E245-A247 PolarHBondContact O-N 3.36Å; A247-C251 WeakPolarHBondContact O-CB 3.12Å; A247-C251 PolarHBondContact O-N 3.27Å; A247-C251 PolarHBondContact O-SG 2.89Å; A247-V449 HydrophobicContact CB-CG1 4.39Å; A247-V449 HydrophobicContact CB-CG2 4.02Å
248	F	95.6	Very high	94.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-55.1	176.1	174.5	-107.4	0	0	0	112.3	L244 E245 K250 C251 E252 C286 F444 M445 Y448 V449	L244-F248 WeakPolarHBondContact O-CB 3.23Å; L244-F248 PolarHBondContact O-N 2.9Å; E245-F248 PolarHBondContact O-N 3.24Å; F248-K250 VanDerWaalsContact C-N 3.28Å; F248-K250 PolarHBondContact O-N 3.05Å; F248-C251 CarbonylContact O-C 3.58Å; F248-C251 WeakPolarHBondContact O-CA 3.21Å; F248-C251 WeakPolarHBondContact O-CB 3.24Å; F248-C251 PolarHBondContact O-N 3.32Å; F248-E252 HydrophobicContact CD1-CG 4.4Å; F248-E252 HydrophobicContact CD2-CG 4.34Å; F248-E252 VanDerWaalsContact CE1-CD 3.45Å; F248-E252 HydrophobicContact CE1-CG 3.98Å; F248-E252 VanDerWaalsContact CE1-OE2 3.24Å; F248-E252 WeakPolarHBondContact CE1-OE2 3.3Å; F248-E252 HydrophobicContact CE2-CG 3.92Å; F248-E252 HydrophobicContact CZ-CG 3.72Å; F248-E252 WeakPolarHBondContact CZ-OE1 3.38Å; F248-E252 PolarHBondContact O-N 3.31Å; F248-C286 HydrophobicContact CZ-CB 4.49Å; F248-F444 HydrophobicContact CE2-CD1 4.44Å; F248-F444 AromaticContact CE2-CE1 3.86Å; F248-F444 HydrophobicContact CE2-CE1 3.86Å; F248-F444 HydrophobicContact CZ-CE1 4Å; F248-M445 HydrophobicContact CB-CB 4Å; F248-M445 HydrophobicContact CB-CG 4.14Å; F248-M445 HydrophobicContact CB-SD 4.08Å; F248-M445 HydrophobicContact CD1-CB 4.47Å; F248-M445 HydrophobicContact CD1-CG 3.72Å; F248-M445 HydrophobicContact CD1-SD 3.56Å; F248-M445 VanDerWaalsContact CD1-SD 3.56Å; F248-M445 HydrophobicContact CD2-CB 3.82Å; F248-M445 HydrophobicContact CD2-CG 3.75Å; F248-M445 HydrophobicContact CE1-CG 4.02Å; F248-M445 HydrophobicContact CE1-SD 4.14Å; F248-M445 HydrophobicContact CE2-CB 4.43Å; F248-M445 HydrophobicContact CE2-CG 4.04Å; F248-M445 HydrophobicContact CG-CB 3.83Å; F248-M445 HydrophobicContact CG-CG 3.58Å; F248-M445 HydrophobicContact CG-SD 3.82Å; F248-M445 HydrophobicContact CZ-CG 4.17Å; F248-Y448 HydrophobicContact CD2-CD1 4.09Å; F248-Y448 HydrophobicContact CD2-CD2 4.46Å; F248-Y448 AromaticContact CD2-CG 3.9Å; F248-Y448 HydrophobicContact CD2-CG 3.9Å; F248-Y448 HydrophobicContact CE2-CD1 4.09Å; F248-Y448 AromaticContact CE2-CD2 3.7Å; F248-Y448 HydrophobicContact CE2-CD2 3.7Å; F248-Y448 HydrophobicContact CE2-CE2 4.29Å; F248-Y448 AromaticContact CE2-CG 3.59Å; F248-Y448 HydrophobicContact CE2-CG 3.59Å; F248-V449 HydrophobicContact CB-CG2 4.11Å
249	R	93.7	Very high	94.1	Very high	5 Å²	5	30.9 Å²	30.9	2%	0.019	15%	0.151	C	C	.	.	H	α-helix	trans	-51.6	-46.5	176.6	-74.6	-88.2	170.9	-104.7	-9.4	111.9	E245 E252 R253 C286 I321 I325	E245-R249 HydrophobicContact CG-CG 4.14Å; E245-R249 VanDerWaalsContact O-CB 3.26Å; E245-R249 WeakPolarHBondContact O-CB 3.27Å; E245-R249 WeakPolarHBondContact O-CG 3.33Å; E245-R249 PolarHBondContact O-N 3.43Å; E245-R249 IonicContact OE1-NE 3.97Å; E245-R249 IonicContact OE1-NH2 3.24Å; R249-E252 IonicContact NH1-OE2 3.73Å; R249-E252 PolarHBondContact NH1-OE2 3.34Å; R249-E252 VanDerWaalsContact NH1-OE2 3.11Å; R249-E252 PolarHBondContact O-N 2.85Å; R249-R253 WeakPolarHBondContact O-CB 3.28Å; R249-R253 WeakPolarHBondContact O-CD 3.36Å; R249-R253 WeakPolarHBondContact O-CG 3.39Å; R249-R253 PolarHBondContact O-N 2.89Å; R249-C286 PolarHBondContact NH1-O 3.17Å; R249-C286 PolarHBondContact NH2-O 3.32Å; R249-I321 HydrophobicContact CB-CG2 3.84Å; R249-I321 HydrophobicContact CG-CB 4.47Å; R249-I321 HydrophobicContact CG-CG2 3.77Å; R249-I325 HydrophobicContact CB-CD1 3.64Å
250	K	94.4	Very high	94.1	Very high	23 Å²	23	34.5 Å²	34.5	10%	0.1	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-44.4	178.8	-174.4	173.1	172.7	-173.5	0	111.8	F239 Y246 F248 R253 E254 I325	F239-K250 HydrophobicContact CD1-CD 3.96Å; F239-K250 VanDerWaalsContact CD1-NZ 3.26Å; F239-K250 HydrophobicContact CD2-CD 3.94Å; F239-K250 HydrophobicContact CE1-CD 3.94Å; F239-K250 HydrophobicContact CE2-CB 4.19Å; F239-K250 HydrophobicContact CE2-CD 3.95Å; F239-K250 HydrophobicContact CE2-CG 4.25Å; F239-K250 HydrophobicContact CG-CD 3.95Å; F239-K250 HydrophobicContact CZ-CD 3.94Å; F239-K250 HydrophobicContact CZ-CG 4.17Å; Y246-K250 HydrophobicContact CE1-CD 4.03Å; Y246-K250 WeakPolarHBondContact O-CB 3.31Å; Y246-K250 PolarHBondContact O-N 3.06Å; F248-K250 VanDerWaalsContact C-N 3.28Å; F248-K250 PolarHBondContact O-N 3.05Å; K250-R253 PolarHBondContact O-N 3.01Å; K250-E254 WeakPolarHBondContact CE-OE1 3.43Å; K250-E254 HydrophobicContact CG-CG 4.38Å; K250-E254 IonicContact NZ-OE1 3.32Å; K250-E254 WeakPolarHBondContact O-CB 3.23Å; K250-E254 WeakPolarHBondContact O-CG 3.48Å; K250-E254 PolarHBondContact O-N 3.09Å; K250-I325 HydrophobicContact CB-CD1 4.02Å; K250-I325 HydrophobicContact CG-CG2 4.34Å
251	C	95.4	Very high	94.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60	-43.4	173.3	-67.4	0	0	0	0	111.8	A247 F248 N255 Y448 Y452	A247-C251 WeakPolarHBondContact O-CB 3.12Å; A247-C251 PolarHBondContact O-N 3.27Å; A247-C251 PolarHBondContact O-SG 2.89Å; F248-C251 CarbonylContact O-C 3.58Å; F248-C251 WeakPolarHBondContact O-CA 3.21Å; F248-C251 WeakPolarHBondContact O-CB 3.24Å; F248-C251 PolarHBondContact O-N 3.32Å; C251-N255 WeakPolarHBondContact O-CB 3.28Å; C251-N255 PolarHBondContact O-N 3.33Å; C251-Y448 HydrophobicContact CB-CD1 4.03Å; C251-Y448 HydrophobicContact CB-CE1 3.92Å; C251-Y452 HydrophobicContact CB-CD1 3.6Å; C251-Y452 HydrophobicContact CB-CE1 4.28Å; C251-Y452 HydrophobicContact CB-CG 3.74Å; C251-Y452 WeakPolarHBondContact SG-CD1 3.43Å
252	E	93.8	Very high	94	Very high	34 Å²	34	36.2 Å²	36.2	16%	0.159	22%	0.216	C	C	.	.	H	α-helix	trans	-60.1	-48.8	175.5	-68.4	-156.7	113.2	0	0	112.1	F248 R249 N255 G256 C286 Y448	F248-E252 HydrophobicContact CD1-CG 4.4Å; F248-E252 HydrophobicContact CD2-CG 4.34Å; F248-E252 VanDerWaalsContact CE1-CD 3.45Å; F248-E252 HydrophobicContact CE1-CG 3.98Å; F248-E252 VanDerWaalsContact CE1-OE2 3.24Å; F248-E252 WeakPolarHBondContact CE1-OE2 3.3Å; F248-E252 HydrophobicContact CE2-CG 3.92Å; F248-E252 HydrophobicContact CZ-CG 3.72Å; F248-E252 WeakPolarHBondContact CZ-OE1 3.38Å; F248-E252 PolarHBondContact O-N 3.31Å; R249-E252 IonicContact NH1-OE2 3.73Å; R249-E252 PolarHBondContact NH1-OE2 3.34Å; R249-E252 VanDerWaalsContact NH1-OE2 3.11Å; R249-E252 PolarHBondContact O-N 2.85Å; E252-N255 PolarHBondContact O-N 3.34Å; E252-G256 PolarHBondContact O-N 2.82Å; E252-C286 VanDerWaalsContact OE1-CB 3.25Å; E252-C286 WeakPolarHBondContact OE1-CB 3.42Å; E252-C286 PolarHBondContact OE1-SG 3.37Å; E252-Y448 HydrophobicContact CG-CE1 4.07Å; E252-Y448 HydrophobicContact CG-CE2 4.27Å
253	R	92.9	Very high	93.8	Very high	42 Å²	42	38.1 Å²	38.1	16%	0.158	23%	0.229	C	C	.	.	H	α-helix	trans	-60.8	-47.8	178.9	-70.9	158.7	56.9	100	1.3	112.2	R249 K250 G256 K257 D322 D326 E329	R249-R253 WeakPolarHBondContact O-CB 3.28Å; R249-R253 WeakPolarHBondContact O-CD 3.36Å; R249-R253 WeakPolarHBondContact O-CG 3.39Å; R249-R253 PolarHBondContact O-N 2.89Å; K250-R253 PolarHBondContact O-N 3.01Å; R253-G256 PolarHBondContact O-N 3.04Å; R253-K257 VanDerWaalsContact O-CG 3.32Å; R253-K257 WeakPolarHBondContact O-CG 3.31Å; R253-K257 PolarHBondContact O-N 3.1Å; R253-D322 VanDerWaalsContact CD-OD1 3.26Å; R253-D322 WeakPolarHBondContact CD-OD1 3.29Å; R253-D322 IonicContact CZ-OD1 3.68Å; R253-D322 IonicContact NE-OD1 2.64Å; R253-D322 PolarHBondContact NH1-O 3.27Å; R253-D322 IonicContact NH1-OD1 3.72Å; R253-D322 PolarHBondContact NH1-OD1 3.17Å; R253-D326 IonicContact CZ-OD1 2.79Å; R253-D326 VanDerWaalsContact CZ-OD1 3.27Å; R253-D326 IonicContact NH1-OD1 2.84Å; R253-D326 PolarHBondContact NH1-OD1 3.17Å; R253-D326 IonicContact NH2-OD1 3.97Å; R253-D326 PolarHBondContact NH2-OD1 3.06Å; R253-E329 IonicContact CZ-OE1 3.14Å; R253-E329 IonicContact NE-OE1 3.52Å; R253-E329 IonicContact NH2-OE1 2.72Å; R253-E329 PolarHBondContact NH2-OE1 3.39Å
254	E	93.4	Very high	93.6	Very high	49 Å²	49	41.4 Å²	41.4	23%	0.229	25%	0.253	C	S	.	.	H	α-helix	trans	-68.5	-37.7	179.2	-67.3	-176.5	174.8	0	0	111.9	K250 G256 K257 Q258 Y452	K250-E254 WeakPolarHBondContact CE-OE1 3.43Å; K250-E254 HydrophobicContact CG-CG 4.38Å; K250-E254 IonicContact NZ-OE1 3.32Å; K250-E254 WeakPolarHBondContact O-CB 3.23Å; K250-E254 WeakPolarHBondContact O-CG 3.48Å; K250-E254 PolarHBondContact O-N 3.09Å; E254-G256 VanDerWaalsContact C-N 3.34Å; E254-G256 PolarHBondContact O-N 3.23Å; E254-K257 WeakPolarHBondContact O-CB 3.18Å; E254-K257 PolarHBondContact O-N 3.38Å; E254-Q258 WeakPolarHBondContact O-CG 3.43Å; E254-Q258 PolarHBondContact O-N 2.8Å; E254-Y452 HydrophobicContact CB-CE1 4.41Å; E254-Y452 HydrophobicContact CB-CE2 4.27Å; E254-Y452 WeakPolarHBondContact CB-OH 3.26Å; E254-Y452 PolarHBondContact OE2-OH 3.16Å
255	N	94.1	Very high	93.5	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-39.2	172.2	-170.9	37.4	0	0	0	112.1	C251 E252 Q258 R259 H265 L266 Y448 Y452	C251-N255 WeakPolarHBondContact O-CB 3.28Å; C251-N255 PolarHBondContact O-N 3.33Å; E252-N255 PolarHBondContact O-N 3.34Å; N255-Q258 PolarHBondContact O-N 3.48Å; N255-R259 PolarHBondContact ND2-NH2 3.12Å; N255-R259 WeakPolarHBondContact O-CB 3.38Å; N255-R259 PolarHBondContact O-N 3.06Å; N255-H265 VanDerWaalsContact OD1-CB 3.32Å; N255-H265 WeakPolarHBondContact OD1-CB 3.28Å; N255-L266 PolarHBondContact ND2-O 3.22Å; N255-L266 PolarHBondContact OD1-N 2.96Å; N255-L266 PolarHBondContact OD1-O 3.14Å; N255-Y448 PolarHBondContact ND2-OH 3.47Å; N255-Y452 HydrophobicContact CB-CD2 3.83Å; N255-Y452 HydrophobicContact CB-CE2 3.91Å
256	G	92.9	Very high	93.6	Very high	31 Å²	31	41.3 Å²	41.3	32%	0.32	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-45.4	171.5	0	0	0	0	0	112.6	E252 R253 E254 Q258 R259 A260	E252-G256 PolarHBondContact O-N 2.82Å; R253-G256 PolarHBondContact O-N 3.04Å; E254-G256 VanDerWaalsContact C-N 3.34Å; E254-G256 PolarHBondContact O-N 3.23Å; G256-Q258 PolarHBondContact O-N 3.16Å; G256-R259 PolarHBondContact O-N 2.74Å; G256-A260 WeakPolarHBondContact O-CB 3.5Å; G256-A260 PolarHBondContact O-N 3.11Å
257	K	92.9	Very high	93.6	Very high	97 Å²	97	43.5 Å²	43.5	42%	0.422	27%	0.266	S	S	.	.	H	α-helix	trans	-59.6	-42.7	173.9	-68.4	165.4	-172.2	170.8	0	111.5	R253 E254 A261 E329	R253-K257 VanDerWaalsContact O-CG 3.32Å; R253-K257 WeakPolarHBondContact O-CG 3.31Å; R253-K257 PolarHBondContact O-N 3.1Å; E254-K257 WeakPolarHBondContact O-CB 3.18Å; E254-K257 PolarHBondContact O-N 3.38Å; K257-A261 WeakPolarHBondContact O-CB 3.46Å; K257-A261 PolarHBondContact O-N 3.37Å; K257-A261 VanDerWaalsContact O-N 3.1Å; K257-E329 IonicContact NZ-OE1 2.71Å; K257-E329 PolarHBondContact NZ-OE1 2.84Å; K257-E329 IonicContact NZ-OE2 2.87Å; K257-E329 PolarHBondContact NZ-OE2 3.26Å
258	Q	93	Very high	93.5	Very high	40 Å²	40	45.3 Å²	45.3	19%	0.187	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-46.8	176.3	-72	166.1	0.4	0	0	112.3	E254 N255 G256 A260 A261 G262 S263 P264 H265 Y452	E254-Q258 WeakPolarHBondContact O-CG 3.43Å; E254-Q258 PolarHBondContact O-N 2.8Å; N255-Q258 PolarHBondContact O-N 3.48Å; G256-Q258 PolarHBondContact O-N 3.16Å; Q258-A260 PolarHBondContact O-N 2.79Å; Q258-A261 CarbonylContact O-C 3.59Å; Q258-A261 PolarHBondContact O-N 2.63Å; Q258-A261 VanDerWaalsContact O-N 3.15Å; Q258-G262 PolarHBondContact O-N 2.88Å; Q258-S263 PolarHBondContact O-N 3.38Å; Q258-P264 PolarHBondContact OE1-O 3.1Å; Q258-H265 HydrophobicContact CB-CB 3.86Å; Q258-Y452 PolarHBondContact NE2-OH 3.44Å
259	R	92.7	Very high	93.5	Very high	123 Å²	123	48.6 Å²	48.6	46%	0.464	29%	0.29	S	S	.	.	H	α-helix	trans	-58.5	-47.6	176.9	-176.9	-177.8	-59.9	133.2	6.7	111.7	N255 G256 A261 G262 H265 L266	N255-R259 PolarHBondContact ND2-NH2 3.12Å; N255-R259 WeakPolarHBondContact O-CB 3.38Å; N255-R259 PolarHBondContact O-N 3.06Å; G256-R259 PolarHBondContact O-N 2.74Å; R259-A261 PolarHBondContact O-N 2.6Å; R259-G262 PolarHBondContact O-N 3.4Å; R259-G262 VanDerWaalsContact O-N 3.09Å; R259-H265 HydrophobicContact CB-CB 4.37Å; R259-L266 PolarHBondContact NH2-O 2.71Å
260	A	93.7	Very high	93.5	Very high	93 Å²	93	50.5 Å²	50.5	77%	0.769	30%	0.299	S	S	*	.	H	α-helix	trans	-63.6	-30.2	177.1	0	0	0	0	0	112.9	G256 Q258 G262	G256-A260 WeakPolarHBondContact O-CB 3.5Å; G256-A260 PolarHBondContact O-N 3.11Å; Q258-A260 PolarHBondContact O-N 2.79Å; A260-G262 VanDerWaalsContact C-N 3.32Å
261	A	94.2	Very high	93.5	Very high	69 Å²	69	51 Å²	51	57%	0.57	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	4.9	175	0	0	0	0	0	114.2	K257 Q258 R259 S263	K257-A261 WeakPolarHBondContact O-CB 3.46Å; K257-A261 PolarHBondContact O-N 3.37Å; K257-A261 VanDerWaalsContact O-N 3.1Å; Q258-A261 CarbonylContact O-C 3.59Å; Q258-A261 PolarHBondContact O-N 2.63Å; Q258-A261 VanDerWaalsContact O-N 3.15Å; R259-A261 PolarHBondContact O-N 2.6Å; A261-S263 PolarHBondContact O-N 3.14Å; A261-S263 VanDerWaalsContact O-N 3.16Å
262	G	91.3	Very high	93.3	Very high	70 Å²	70	59 Å²	59	72%	0.722	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	18.3	-176.8	0	0	0	0	0	114.5	Q258 R259 A260	Q258-G262 PolarHBondContact O-N 2.88Å; R259-G262 PolarHBondContact O-N 3.4Å; R259-G262 VanDerWaalsContact O-N 3.09Å; A260-G262 VanDerWaalsContact C-N 3.32Å
263	S	91.3	Very high	93.1	Very high	51 Å²	51	59.5 Å²	59.5	36%	0.357	35%	0.348	S	S	.	.			trans	-83.5	165.3	-180	-62.3	0	0	0	0	111.4	Q258 A261 H265	Q258-S263 PolarHBondContact O-N 3.38Å; A261-S263 PolarHBondContact O-N 3.14Å; A261-S263 VanDerWaalsContact O-N 3.16Å; S263-H265 PolarHBondContact O-N 2.87Å; S263-H265 PolarHBondContact O-ND1 2.91Å
264	P	90.8	Very high	93	Very high	89 Å²	89	61.1 Å²	61.1	58%	0.578	36%	0.364	S	S	*	.			trans	-52.2	130.5	167.4	-24.8	34.9	0	0	0	110.4	Q258 V455	Q258-P264 PolarHBondContact OE1-O 3.1Å; P264-V455 HydrophobicContact CB-CG1 4.34Å
265	H	93.8	Very high	92.8	Very high	49 Å²	49	64.1 Å²	64.1	23%	0.227	39%	0.391	C	S	.	.			trans	-153.6	151.3	-171.7	66.3	-94.9	0	0	0	110.3	N255 Q258 R259 S263	N255-H265 VanDerWaalsContact OD1-CB 3.32Å; N255-H265 WeakPolarHBondContact OD1-CB 3.28Å; Q258-H265 HydrophobicContact CB-CB 3.86Å; R259-H265 HydrophobicContact CB-CB 4.37Å; S263-H265 PolarHBondContact O-N 2.87Å; S263-H265 PolarHBondContact O-ND1 2.91Å
266	L	94	Very high	92.7	Very high	1 Å²	1	68.8 Å²	68.8	1%	0.005	42%	0.423	C	S	.	.			trans	-72.2	127.4	178	178.1	66.7	0	0	0	110.5	Y116 N255 R259 L268 Y448 A451 V455	Y116-L266 HydrophobicContact CD2-CD1 3.8Å; Y116-L266 HydrophobicContact CE2-CD1 4.31Å; N255-L266 PolarHBondContact ND2-O 3.22Å; N255-L266 PolarHBondContact OD1-N 2.96Å; N255-L266 PolarHBondContact OD1-O 3.14Å; R259-L266 PolarHBondContact NH2-O 2.71Å; L266-L268 HydrophobicContact CD1-CD2 3.94Å; L266-L268 HydrophobicContact CD2-CD2 4.35Å; L266-L268 HydrophobicContact CG-CD2 4.1Å; L266-L268 HydrophobicContact CG-CG 4.33Å; L266-Y448 HydrophobicContact CD2-CD1 4.02Å; L266-Y448 HydrophobicContact CD2-CD2 4.19Å; L266-Y448 HydrophobicContact CD2-CE1 3.91Å; L266-Y448 HydrophobicContact CD2-CE2 4.13Å; L266-Y448 HydrophobicContact CD2-CG 4.13Å; L266-A451 HydrophobicContact CD1-CB 3.83Å; L266-A451 HydrophobicContact CD2-CB 3.93Å; L266-V455 HydrophobicContact CB-CG2 4.23Å
267	T	94.6	Very high	92.6	Very high	47 Å²	47	68.6 Å²	68.6	29%	0.288	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.9	173.4	-67.3	0	0	0	0	109.6	H114 S115 Y116	H114-T267 PolarHBondContact O-N 2.75Å; H114-T267 VanDerWaalsContact O-N 3.1Å; S115-T267 CarbonylContact C-O 3.52Å; S115-T267 WeakPolarHBondContact CA-O 3.48Å; Y116-T267 PolarHBondContact N-O 3.11Å
268	L	94.7	Very high	92.5	Very high	38 Å²	38	73 Å²	73	20%	0.199	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.9	-179.4	-61.7	-174.1	0	0	0	111.4	F105 Y116 L266 F270 F444 Y448	F105-L268 HydrophobicContact CD1-CD2 4.29Å; F105-L268 HydrophobicContact CE1-CD1 4.37Å; F105-L268 HydrophobicContact CE1-CD2 3.99Å; Y116-L268 CarbonylContact O-C 3.53Å; Y116-L268 WeakPolarHBondContact O-CA 3.26Å; L266-L268 HydrophobicContact CD1-CD2 3.94Å; L266-L268 HydrophobicContact CD2-CD2 4.35Å; L266-L268 HydrophobicContact CG-CD2 4.1Å; L266-L268 HydrophobicContact CG-CG 4.33Å; L268-F270 HydrophobicContact CB-CZ 4.42Å; L268-F444 HydrophobicContact CD1-CE2 3.78Å; L268-F444 HydrophobicContact CD1-CZ 3.72Å; L268-Y448 HydrophobicContact CD1-CD2 3.49Å; L268-Y448 VanDerWaalsContact CD1-CD2 3.49Å; L268-Y448 HydrophobicContact CD1-CE2 3.75Å
269	E	95.1	Very high	92.3	Very high	69 Å²	69	78.2 Å²	78.2	32%	0.322	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	159.2	167.4	-62.7	-170.3	139.6	0	0	109.7	K111 Y116 L117 A118	K111-E269 WeakPolarHBondContact CD-OE1 2.97Å; K111-E269 WeakPolarHBondContact CD-OE2 3.26Å; K111-E269 IonicContact NZ-OE1 2.67Å; K111-E269 PolarHBondContact NZ-OE1 2.89Å; K111-E269 IonicContact NZ-OE2 2.66Å; K111-E269 PolarHBondContact NZ-OE2 3.03Å; Y116-E269 PolarHBondContact O-N 2.72Å; L117-E269 WeakPolarHBondContact CA-O 3.48Å; L117-E269 HydrophobicContact CD1-CB 4.37Å; A118-E269 PolarHBondContact N-O 2.8Å
270	F	95.4	Very high	92.3	Very high	44 Å²	44	75 Å²	75	19%	0.193	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	158.8	176.9	-57.7	-78.4	0	0	0	109.8	V32 V34 P35 A118 L268 F444	V32-F270 HydrophobicContact CG1-CE2 3.95Å; V32-F270 HydrophobicContact CG1-CZ 4.45Å; V34-F270 HydrophobicContact CB-CE1 4.44Å; V34-F270 HydrophobicContact CB-CZ 4.36Å; V34-F270 HydrophobicContact CG1-CE1 3.92Å; V34-F270 HydrophobicContact CG1-CZ 4.29Å; V34-F270 HydrophobicContact CG2-CE1 4.41Å; V34-F270 HydrophobicContact CG2-CZ 3.95Å; P35-F270 HydrophobicContact CG-CB 3.7Å; P35-F270 HydrophobicContact CG-CD1 4.09Å; P35-F270 HydrophobicContact CG-CG 3.98Å; A118-F270 HydrophobicContact CB-CD1 3.97Å; A118-F270 HydrophobicContact CB-CE1 3.72Å; L268-F270 HydrophobicContact CB-CZ 4.42Å; F270-F444 HydrophobicContact CE1-CD2 4.39Å; F270-F444 AromaticContact CE1-CE2 3.76Å; F270-F444 HydrophobicContact CE1-CE2 3.76Å; F270-F444 HydrophobicContact CE1-CZ 4.41Å; F270-F444 AromaticContact CZ-CE2 3.87Å; F270-F444 HydrophobicContact CZ-CE2 3.87Å; F270-F444 HydrophobicContact CZ-CZ 4.09Å
271	C	93.3	Very high	92.3	Very high	34 Å²	34	71.2 Å²	71.2	23%	0.23	42%	0.415	C	S	.	.			trans	-66.4	137.8	175.1	-71.7	0	0	0	0	111.1	Q119 Y273	Q119-C271 VanDerWaalsContact CG-SG 3.59Å; C271-Y273 HydrophobicContact CB-CD1 4.41Å; C271-Y273 HydrophobicContact CB-CE1 3.85Å; C271-Y273 HydrophobicContact CB-CE2 4.05Å; C271-Y273 WeakPolarHBondContact O-CD2 3.12Å; C271-Y273 VanDerWaalsContact O-CE2 3.26Å; C271-Y273 WeakPolarHBondContact O-CE2 3.22Å
272	N	90.9	Very high	92.2	Very high	167 Å²	167	69.8 Å²	69.8	89%	0.893	40%	0.397	S	S	*	.			trans	-74.9	124.6	163.8	-71.9	-31.7	0	0	0	108.5
273	Y	90.5	Very high	92.2	Very high	45 Å²	45	70.7 Å²	70.7	18%	0.176	38%	0.379	C	S	.	.			trans	-107.5	141	-178.8	-61.3	-73	0	0	0	111.3	P35 V37 C271 M277 I281	P35-Y273 HydrophobicContact CB-CD2 4.21Å; P35-Y273 HydrophobicContact CB-CE2 3.73Å; P35-Y273 HydrophobicContact CG-CD2 4.49Å; P35-Y273 HydrophobicContact CG-CE2 3.78Å; V37-Y273 HydrophobicContact CG2-CE1 3.93Å; V37-Y273 HydrophobicContact CG2-CE2 4.25Å; V37-Y273 WeakPolarHBondContact CG2-OH 3.49Å; C271-Y273 HydrophobicContact CB-CD1 4.41Å; C271-Y273 HydrophobicContact CB-CE1 3.85Å; C271-Y273 HydrophobicContact CB-CE2 4.05Å; C271-Y273 WeakPolarHBondContact O-CD2 3.12Å; C271-Y273 VanDerWaalsContact O-CE2 3.26Å; C271-Y273 WeakPolarHBondContact O-CE2 3.22Å; Y273-M277 HydrophobicContact CD1-CE 3.36Å; Y273-M277 HydrophobicContact CE1-CE 4.05Å; Y273-M277 HydrophobicContact CG-CE 4.14Å; Y273-I281 HydrophobicContact CD1-CD1 4.27Å; Y273-I281 HydrophobicContact CD2-CD1 3.66Å; Y273-I281 HydrophobicContact CD2-CG1 4.45Å; Y273-I281 HydrophobicContact CG-CD1 3.5Å; Y273-I281 VanDerWaalsContact CG-CD1 3.5Å
274	P	90.6	Very high	92	Very high	76 Å²	76	70.9 Å²	70.9	49%	0.494	37%	0.373	S	S	.	.			trans	-67.7	151.9	176.6	29.9	-35.9	0	0	0	111.2	S276 M277	P274-S276 PolarHBondContact O-N 3.16Å; P274-M277 HydrophobicContact CG-CG 4.3Å; P274-M277 PolarHBondContact O-N 3.01Å
275	S	90.1	Very high	91.4	Very high	112 Å²	112	69.2 Å²	69.2	78%	0.783	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-57	-22.6	-177.7	-50	0	0	0	0	114.4	M277 R278	S275-M277 VanDerWaalsContact C-N 3.27Å; S275-M277 PolarHBondContact O-N 3.02Å; S275-R278 VanDerWaalsContact O-CB 3.26Å; S275-R278 WeakPolarHBondContact O-CB 3.17Å; S275-R278 PolarHBondContact O-N 3.02Å
276	S	90.4	Very high	90.3	Very high	99 Å²	99	67.1 Å²	67.1	69%	0.692	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-64.8	-25.5	174.8	50.9	0	0	0	0	114	P274	P274-S276 PolarHBondContact O-N 3.16Å
277	M	91.2	Very high	88.7	Confident	28 Å²	28	70.7 Å²	70.7	14%	0.138	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-95.1	7.5	177.2	-59.2	-155	-48.1	0	0	113.2	M47 Y273 P274 S275 D279 H280 I281	M47-M277 HydrophobicContact SD-SD 3.85Å; Y273-M277 HydrophobicContact CD1-CE 3.36Å; Y273-M277 HydrophobicContact CE1-CE 4.05Å; Y273-M277 HydrophobicContact CG-CE 4.14Å; P274-M277 HydrophobicContact CG-CG 4.3Å; P274-M277 PolarHBondContact O-N 3.01Å; S275-M277 VanDerWaalsContact C-N 3.27Å; S275-M277 PolarHBondContact O-N 3.02Å; M277-D279 PolarHBondContact O-N 3.34Å; M277-H280 CarbonylContact O-C 3.57Å; M277-H280 WeakPolarHBondContact O-CA 3.4Å; M277-H280 PolarHBondContact O-N 3.48Å; M277-I281 HydrophobicContact CB-CD1 3.97Å; M277-I281 WeakPolarHBondContact O-CD1 3.29Å; M277-I281 VanDerWaalsContact O-CG1 3.31Å; M277-I281 WeakPolarHBondContact O-CG1 3.35Å; M277-I281 PolarHBondContact O-N 2.81Å
278	R	90.6	Very high	86.7	Confident	189 Å²	189	71.5 Å²	71.5	71%	0.713	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-55	-40.1	-176.5	-177.9	178	-177.5	166.6	0.8	112.9	S275 H280 I281	S275-R278 VanDerWaalsContact O-CB 3.26Å; S275-R278 WeakPolarHBondContact O-CB 3.17Å; S275-R278 PolarHBondContact O-N 3.02Å; R278-H280 PolarHBondContact O-N 3.21Å; R278-I281 PolarHBondContact O-N 3.12Å
279	D	90.1	Very high	84.4	Confident	149 Å²	149	74 Å²	74	80%	0.797	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-80	1.1	-178.3	-53.6	-29.7	0	0	0	112.8	M277	M277-D279 PolarHBondContact O-N 3.34Å
280	H	92.8	Very high	82	Confident	55 Å²	55	75.1 Å²	75.1	26%	0.255	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-116.4	14.1	173.6	-61.2	-42	0	0	0	112.5	V37 D38 N43 M277 R278	V37-H280 CarbonylContact C-O 3.47Å; V37-H280 WeakPolarHBondContact CA-O 3.38Å; D38-H280 PolarHBondContact N-O 2.97Å; N43-H280 PolarHBondContact ND2-ND1 2.94Å; M277-H280 CarbonylContact O-C 3.57Å; M277-H280 WeakPolarHBondContact O-CA 3.4Å; M277-H280 PolarHBondContact O-N 3.48Å; R278-H280 PolarHBondContact O-N 3.21Å
281	I	93.6	Very high	79.6	Confident	15 Å²	15	78 Å²	78	8%	0.077	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	109.1	-179.5	-57.7	158.8	0	0	0	110.9	P35 V36 V37 Y273 M277 R278 Y283	P35-I281 HydrophobicContact CB-CG2 3.51Å; V36-I281 WeakPolarHBondContact O-CA 3.45Å; V37-I281 HydrophobicContact CG2-CG1 4.43Å; Y273-I281 HydrophobicContact CD1-CD1 4.27Å; Y273-I281 HydrophobicContact CD2-CD1 3.66Å; Y273-I281 HydrophobicContact CD2-CG1 4.45Å; Y273-I281 HydrophobicContact CG-CD1 3.5Å; Y273-I281 VanDerWaalsContact CG-CD1 3.5Å; M277-I281 HydrophobicContact CB-CD1 3.97Å; M277-I281 WeakPolarHBondContact O-CD1 3.29Å; M277-I281 VanDerWaalsContact O-CG1 3.31Å; M277-I281 WeakPolarHBondContact O-CG1 3.35Å; M277-I281 PolarHBondContact O-N 2.81Å; R278-I281 PolarHBondContact O-N 3.12Å; I281-Y283 HydrophobicContact CB-CD2 4.25Å; I281-Y283 HydrophobicContact CB-CE2 3.84Å; I281-Y283 HydrophobicContact CG2-CD2 3.63Å; I281-Y283 HydrophobicContact CG2-CE1 4.3Å; I281-Y283 HydrophobicContact CG2-CE2 3.35Å; I281-Y283 HydrophobicContact CG2-CG 4.22Å; I281-Y283 WeakPolarHBondContact O-CD2 3.4Å; I281-Y283 PolarHBondContact O-N 2.62Å
282	D	91.1	Very high	77.1	Confident	38 Å²	38	85.7 Å²	85.7	20%	0.203	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	105.5	171.9	-176.7	-3.4	0	0	0	109.5	V36 R284 R438	V36-D282 HydrophobicContact CB-CB 4.4Å; V36-D282 PolarHBondContact N-O 2.88Å; V36-D282 PolarHBondContact O-N 3.18Å; D282-R284 PolarHBondContact O-N 2.87Å; D282-R284 IonicContact OD1-CZ 3.87Å; D282-R284 IonicContact OD1-NE 3.86Å; D282-R284 PolarHBondContact OD1-NE 3.5Å; D282-R284 IonicContact OD1-NH2 3.11Å; D282-R284 IonicContact OD2-CZ 3.79Å; D282-R284 IonicContact OD2-NE 2.74Å; D282-R284 PolarHBondContact OD2-NE 3.34Å; D282-R284 IonicContact OD2-NH2 3.53Å; D282-R284 PolarHBondContact OD2-NH2 3.43Å; D282-R438 IonicContact OD2-CZ 3.16Å; D282-R438 IonicContact OD2-NH1 3.99Å; D282-R438 PolarHBondContact OD2-NH1 2.85Å
283	Y	90.7	Very high	75.1	Confident	89 Å²	89	86 Å²	86	35%	0.349	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	84.3	-178	-78.4	-90.2	0	0	0	111.6	R33 P35 I281	R33-Y283 HydrophobicContact CB-CD1 4.48Å; R33-Y283 PolarHBondContact NE-O 3.17Å; R33-Y283 PolarHBondContact NH2-O 3.36Å; P35-Y283 HydrophobicContact CB-CD1 4.03Å; P35-Y283 HydrophobicContact CB-CE1 3.81Å; I281-Y283 HydrophobicContact CB-CD2 4.25Å; I281-Y283 HydrophobicContact CB-CE2 3.84Å; I281-Y283 HydrophobicContact CG2-CD2 3.63Å; I281-Y283 HydrophobicContact CG2-CE1 4.3Å; I281-Y283 HydrophobicContact CG2-CE2 3.35Å; I281-Y283 HydrophobicContact CG2-CG 4.22Å; I281-Y283 WeakPolarHBondContact O-CD2 3.4Å; I281-Y283 PolarHBondContact O-N 2.62Å
284	R	87	Confident	73.2	Confident	56 Å²	56	89.7 Å²	89.7	21%	0.211	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.2	-179.2	-69	-73.7	153.9	156	9.4	111.9	R33 V34 V36 D282 G435 F441	R33-R284 CarbonylContact C-O 3.58Å; R33-R284 VanDerWaalsContact CA-O 3.3Å; R33-R284 WeakPolarHBondContact CA-O 3.37Å; V34-R284 PolarHBondContact N-O 3.43Å; V34-R284 PolarHBondContact O-N 3.24Å; V36-R284 HydrophobicContact CG2-CG 4.19Å; D282-R284 PolarHBondContact O-N 2.87Å; D282-R284 IonicContact OD1-CZ 3.87Å; D282-R284 IonicContact OD1-NE 3.86Å; D282-R284 PolarHBondContact OD1-NE 3.5Å; D282-R284 IonicContact OD1-NH2 3.11Å; D282-R284 IonicContact OD2-CZ 3.79Å; D282-R284 IonicContact OD2-NE 2.74Å; D282-R284 PolarHBondContact OD2-NE 3.34Å; D282-R284 IonicContact OD2-NH2 3.53Å; D282-R284 PolarHBondContact OD2-NH2 3.43Å; R284-G435 PolarHBondContact NH1-O 3.34Å; R284-F441 HydrophobicContact CB-CD2 3.55Å; R284-F441 HydrophobicContact CB-CE2 3.58Å; R284-F441 HydrophobicContact CB-CG 4.33Å; R284-F441 HydrophobicContact CB-CZ 4.39Å; R284-F441 HydrophobicContact CG-CD2 3.92Å; R284-F441 HydrophobicContact CG-CE2 4.42Å; R284-F441 HydrophobicContact CG-CG 4.31Å
285	C	79.9	Confident	71.6	Confident	54 Å²	54	92.7 Å²	92.7	37%	0.365	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	140.1	169.4	-61.4	0	0	0	0	109.6	V31	V31-C285 HydrophobicContact CG1-CB 3.88Å
286	C	70.1	Confident	70.2	Confident	5 Å²	5	89.4 Å²	89.4	3%	0.034	47%	0.472	C	S	.	.	S	Bend	trans	-61.9	-44.6	170	-74.1	0	0	0	0	111.5	V32 F248 R249 E252	V32-C286 PolarHBondContact O-N 2.91Å; F248-C286 HydrophobicContact CZ-CB 4.49Å; R249-C286 PolarHBondContact NH1-O 3.17Å; R249-C286 PolarHBondContact NH2-O 3.32Å; E252-C286 VanDerWaalsContact OE1-CB 3.25Å; E252-C286 WeakPolarHBondContact OE1-CB 3.42Å; E252-C286 PolarHBondContact OE1-SG 3.37Å
287	L	60.1	Low	69.1	Low	76 Å²	76	92.1 Å²	92.1	40%	0.398	48%	0.484	S	S	.	.	S	Bend	trans	-73.1	149.7	-174.3	-69.6	169.7	0	0	0	113.3	V31	V31-L287 HydrophobicContact CG1-CD1 4.47Å; V31-L287 HydrophobicContact CG2-CD1 4.22Å
288	P	52	Low	68.9	Low	64 Å²	64	93.6 Å²	93.6	42%	0.416	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-63.9	153.5	169	-12.3	27.6	0	0	0	110.9	A290	P288-A290 PolarHBondContact O-N 3.26Å
289	P	47.5	Very low	69	Low	91 Å²	91	85.8 Å²	85.8	59%	0.591	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-57.8	133.7	166.4	-21.3	33	0	0	0	110.5	T291	P289-T291 VanDerWaalsContact C-N 3.34Å; P289-T291 PolarHBondContact O-N 2.88Å
290	A	44.1	Very low	69.2	Low	92 Å²	92	78.8 Å²	78.8	76%	0.76	43%	0.433	S	S	*	.			trans	-65.6	89.6	177.5	0	0	0	0	0	110.7	P288 H292	P288-A290 PolarHBondContact O-N 3.26Å; A290-H292 PolarHBondContact O-N 3.49Å
291	T	44.9	Very low	69.2	Low	104 Å²	104	82 Å²	82	64%	0.638	45%	0.452	S	S	*	.			trans	-81.6	100.5	-175.8	47.6	0	0	0	0	110.6	P289 R293	P289-T291 VanDerWaalsContact C-N 3.34Å; P289-T291 PolarHBondContact O-N 2.88Å; T291-R293 PolarHBondContact O-N 3.25Å
292	H	40.5	Very low	69.1	Low	195 Å²	195	85.1 Å²	85.1	90%	0.903	47%	0.468	S	S	*	.			trans	-68.2	66.9	168.4	-69.7	-70.3	0	0	0	111.8	A290	A290-H292 PolarHBondContact O-N 3.49Å
293	R	49.9	Very low	69.1	Low	174 Å²	174	84.6 Å²	84.6	66%	0.657	46%	0.464	S	S	*	.	S	Bend	trans	-104	146.6	162.2	-68.8	-173	177.4	-168	1.7	108.4	T291 H295	T291-R293 PolarHBondContact O-N 3.25Å; R293-H295 PolarHBondContact O-N 3.18Å; R293-H295 VanDerWaalsContact O-N 3.11Å
294	P	50.8	Low	69.2	Low	122 Å²	122	81.5 Å²	81.5	79%	0.792	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-61	117.5	170.9	26.2	-33.1	0	0	0	108.9	P296	P294-P296 WeakPolarHBondContact O-CD 3.45Å
295	H	55.4	Low	69.3	Low	140 Å²	140	81.1 Å²	81.1	65%	0.648	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-56.9	122.7	-173.5	-63.1	-86.1	0	0	0	111.3	R293 T297	R293-H295 PolarHBondContact O-N 3.18Å; R293-H295 VanDerWaalsContact O-N 3.11Å; H295-T297 PolarHBondContact O-N 2.9Å
296	P	61.5	Low	69.8	Low	43 Å²	43	86.4 Å²	86.4	28%	0.279	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-61.1	129.8	169.4	-21.5	33.5	0	0	0	110	P294 S298 P316	P294-P296 WeakPolarHBondContact O-CD 3.45Å; P296-S298 PolarHBondContact O-N 2.63Å; P296-P316 WeakPolarHBondContact CB-O 3.29Å
297	T	66.8	Low	70.7	Confident	155 Å²	155	87.3 Å²	87.3	95%	0.951	49%	0.488	S	S	*	.	S	Bend	trans	-72.3	1.3	-174.9	50.2	0	0	0	0	114.6	H295	H295-T297 PolarHBondContact O-N 2.9Å
298	S	88	Confident	72	Confident	59 Å²	59	90 Å²	90	41%	0.413	49%	0.493	S	S	.	.	S	Bend	trans	-137.5	142.8	173	60.8	0	0	0	0	111.2	P296 S318	P296-S298 PolarHBondContact O-N 2.63Å; S298-S318 PolarHBondContact O-N 3.3Å
299	I	92.4	Very high	73.8	Confident	26 Å²	26	87.3 Å²	87.3	13%	0.133	48%	0.476	C	S	.	.	B	Isolated β-bridge	trans	-71.4	148.8	171.4	-73.2	159	0	0	0	109.8	D301 Q317 L323 I324 T327	I299-D301 PolarHBondContact O-N 2.91Å; I299-Q317 PolarHBondContact O-NE2 3.22Å; I299-L323 HydrophobicContact CD1-CG 4.22Å; I299-L323 HydrophobicContact CG1-CD2 4.14Å; I299-L323 HydrophobicContact CG1-CG 4.13Å; I299-I324 HydrophobicContact CB-CG1 4.47Å; I299-I324 HydrophobicContact CD1-CG1 4.12Å; I299-I324 HydrophobicContact CG1-CG1 4.03Å; I299-I324 HydrophobicContact CG2-CD1 4.22Å; I299-I324 HydrophobicContact CG2-CG1 3.62Å; I299-T327 HydrophobicContact CD1-CG2 4.02Å; I299-T327 VanDerWaalsContact CD1-OG1 3.27Å; I299-T327 WeakPolarHBondContact CD1-OG1 3.26Å
300	C	93.3	Very high	75.6	Confident	2 Å²	2	87 Å²	87	1%	0.014	47%	0.474	C	S	.	.			trans	-80	113.4	168.1	-169.1	0	0	0	0	110.8	N302 F303 S304 Q317 S318	C300-N302 VanDerWaalsContact C-N 3.26Å; C300-N302 PolarHBondContact O-N 2.79Å; C300-F303 HydrophobicContact CB-CB 4.01Å; C300-F303 PolarHBondContact O-N 3.24Å; C300-F303 VanDerWaalsContact O-N 3.12Å; C300-S304 WeakPolarHBondContact O-CB 3.39Å; C300-S304 PolarHBondContact O-N 3.46Å; C300-Q317 HydrophobicContact CB-CB 3.74Å; C300-Q317 PolarHBondContact SG-OE1 2.83Å; C300-S318 PolarHBondContact N-O 2.81Å
301	D	93	Very high	77.6	Confident	122 Å²	122	87.1 Å²	87.1	65%	0.652	46%	0.461	S	S	*	.	H	α-helix	trans	-55.9	-39.1	-178.9	-60.4	-57.7	0	0	0	112.9	I299 S304 A305	I299-D301 PolarHBondContact O-N 2.91Å; D301-S304 PolarHBondContact O-N 3.42Å; D301-A305 WeakPolarHBondContact O-CB 3.36Å; D301-A305 PolarHBondContact O-N 3.21Å
302	N	92.1	Very high	79.5	Confident	80 Å²	80	83.3 Å²	83.3	43%	0.428	44%	0.443	S	S	.	.	H	α-helix	trans	-63.4	-46	177.8	-72.4	-55.9	0	0	0	112	C300 Y306 W308	C300-N302 VanDerWaalsContact C-N 3.26Å; C300-N302 PolarHBondContact O-N 2.79Å; N302-Y306 WeakPolarHBondContact O-CB 3.4Å; N302-Y306 WeakPolarHBondContact O-CD2 3.44Å; N302-Y306 PolarHBondContact O-N 3.25Å; N302-W308 CarbonylContact C-O 3.3Å; N302-W308 VanDerWaalsContact C-O 3.3Å
303	F	92.1	Very high	81.4	Confident	28 Å²	28	79.4 Å²	79.4	12%	0.123	43%	0.434	C	S	.	.	H	α-helix	trans	-69.8	-42.7	178.7	-165.8	-90	0	0	0	110.9	Y243 C300 A305 Y306 G307 C309 H319 I321 I324	Y243-F303 WeakPolarHBondContact CE1-O 3.48Å; Y243-F303 PolarHBondContact OH-O 3.47Å; C300-F303 HydrophobicContact CB-CB 4.01Å; C300-F303 PolarHBondContact O-N 3.24Å; C300-F303 VanDerWaalsContact O-N 3.12Å; F303-A305 VanDerWaalsContact C-N 3.29Å; F303-A305 PolarHBondContact O-N 3Å; F303-Y306 PolarHBondContact O-N 2.88Å; F303-G307 WeakPolarHBondContact CE2-O 3.3Å; F303-G307 WeakPolarHBondContact O-CA 3.47Å; F303-G307 PolarHBondContact O-N 2.68Å; F303-C309 HydrophobicContact CB-CB 4.3Å; F303-C309 HydrophobicContact CD2-CB 4.38Å; F303-H319 HydrophobicContact CD1-CB 3.7Å; F303-H319 AromaticContact CD1-CG 4Å; F303-H319 HydrophobicContact CD2-CB 4.17Å; F303-H319 AromaticContact CD2-CG 3.75Å; F303-H319 AromaticContact CD2-ND1 3.73Å; F303-H319 HydrophobicContact CE1-CB 3.84Å; F303-H319 WeakPolarHBondContact CE1-O 3.07Å; F303-H319 HydrophobicContact CE2-CB 4.3Å; F303-H319 HydrophobicContact CG-CB 3.88Å; F303-H319 AromaticContact CG-CD2 3.67Å; F303-H319 AromaticContact CG-CG 3.63Å; F303-H319 HydrophobicContact CZ-CB 4.14Å; F303-I321 HydrophobicContact CE1-CD1 4.05Å; F303-I321 HydrophobicContact CE1-CG1 3.84Å; F303-I321 HydrophobicContact CZ-CD1 4.44Å; F303-I324 HydrophobicContact CD1-CD1 3.89Å; F303-I324 HydrophobicContact CE1-CD1 4.43Å
304	S	92.2	Very high	83.1	Confident	24 Å²	24	79.4 Å²	79.4	17%	0.168	44%	0.442	C	S	.	.	H	α-helix	trans	-56.2	-40	175.6	-165.5	0	0	0	0	113	A241 C300 D301 I324	A241-S304 WeakPolarHBondContact CB-O 3.36Å; C300-S304 WeakPolarHBondContact O-CB 3.39Å; C300-S304 PolarHBondContact O-N 3.46Å; D301-S304 PolarHBondContact O-N 3.42Å; S304-I324 WeakPolarHBondContact OG-CG2 3.43Å
305	A	89.7	Confident	84.8	Confident	47 Å²	47	74.5 Å²	74.5	39%	0.388	41%	0.41	S	S	.	.	H	α-helix	trans	-82.4	-34.1	-179.4	0	0	0	0	0	113.8	D301 F303	D301-A305 WeakPolarHBondContact O-CB 3.36Å; D301-A305 PolarHBondContact O-N 3.21Å; F303-A305 VanDerWaalsContact C-N 3.29Å; F303-A305 PolarHBondContact O-N 3Å
306	Y	88.9	Confident	86.5	Confident	166 Å²	166	72.7 Å²	72.7	65%	0.651	41%	0.411	S	S	*	.	H	α-helix	trans	-129.4	-7.4	-163.4	-53.9	-57.3	0	0	0	116.1	N302 F303 W308	N302-Y306 WeakPolarHBondContact O-CB 3.4Å; N302-Y306 WeakPolarHBondContact O-CD2 3.44Å; N302-Y306 PolarHBondContact O-N 3.25Å; F303-Y306 PolarHBondContact O-N 2.88Å; Y306-W308 PolarHBondContact O-N 3.19Å
307	G	89.1	Confident	87.9	Confident	24 Å²	24	73.4 Å²	73.4	25%	0.247	41%	0.411	C	S	.	.	S	Bend	trans	68.9	16.1	-171.7	0	0	0	0	0	113.5	Y243 F303	Y243-G307 VanDerWaalsContact CD1-N 3.3Å; Y243-G307 VanDerWaalsContact CE1-N 3.31Å; F303-G307 WeakPolarHBondContact CE2-O 3.3Å; F303-G307 WeakPolarHBondContact O-CA 3.47Å; F303-G307 PolarHBondContact O-N 2.68Å
308	W	88.2	Confident	89	Confident	132 Å²	132	66.5 Å²	66.5	50%	0.5	37%	0.369	S	S	.	.			trans	-146.4	141.9	-177.1	-178.4	82.4	0	0	0	112.1	N302 Y306 P310	N302-W308 CarbonylContact C-O 3.3Å; N302-W308 VanDerWaalsContact C-O 3.3Å; Y306-W308 PolarHBondContact O-N 3.19Å; W308-P310 HydrophobicContact CH2-CB 3.71Å; W308-P310 HydrophobicContact CH2-CG 4.44Å; W308-P310 HydrophobicContact CZ2-CB 4.28Å; W308-P310 HydrophobicContact CZ3-CB 4.19Å; W308-P310 HydrophobicContact CZ3-CG 4.45Å
309	C	88.5	Confident	89.1	Confident	8 Å²	8	66 Å²	66	5%	0.054	36%	0.359	C	S	.	.			trans	-138.6	133.7	178.9	175.3	0	0	0	0	109.7	F303 L311 G312 C315 H319	F303-C309 HydrophobicContact CB-CB 4.3Å; F303-C309 HydrophobicContact CD2-CB 4.38Å; C309-L311 PolarHBondContact O-N 3.06Å; C309-L311 VanDerWaalsContact O-N 3.17Å; C309-G312 PolarHBondContact O-N 2.87Å; C309-C315 VanDerWaalsContact SG-SG 3.67Å; C309-H319 VanDerWaalsContact CB-CE1 3.45Å; C309-H319 WeakPolarHBondContact CB-CE1 3Å; C309-H319 VanDerWaalsContact CB-NE2 3.34Å; C309-H319 WeakPolarHBondContact CB-NE2 3.12Å; C309-H319 PolarHBondContact SG-NE2 2.84Å
310	P	86.6	Confident	89	Confident	85 Å²	85	67.5 Å²	67.5	55%	0.552	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-18	-179.1	26.7	-35.1	0	0	0	113.9	W308	W308-P310 HydrophobicContact CH2-CB 3.71Å; W308-P310 HydrophobicContact CH2-CG 4.44Å; W308-P310 HydrophobicContact CZ2-CB 4.28Å; W308-P310 HydrophobicContact CZ3-CB 4.19Å; W308-P310 HydrophobicContact CZ3-CG 4.45Å
311	L	86.8	Confident	88.9	Confident	94 Å²	94	67.9 Å²	67.9	49%	0.492	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-12.3	175.7	-57.4	177.9	0	0	0	112.8	C309 Q314 C315	C309-L311 PolarHBondContact O-N 3.06Å; C309-L311 VanDerWaalsContact O-N 3.17Å; L311-Q314 WeakPolarHBondContact O-CA 2.91Å; L311-Q314 WeakPolarHBondContact O-CB 2.97Å; L311-Q314 PolarHBondContact O-N 2.88Å; L311-C315 HydrophobicContact CB-CB 3.99Å
312	G	83.9	Confident	88.8	Confident	24 Å²	24	64.4 Å²	64.4	25%	0.247	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	50.1	-136.9	179.2	0	0	0	0	0	113.1	C309 Q314 C315 H319	C309-G312 PolarHBondContact O-N 2.87Å; G312-Q314 PolarHBondContact O-N 2.93Å; G312-C315 WeakPolarHBondContact O-CB 3.22Å; G312-C315 PolarHBondContact O-N 3.42Å; G312-C315 VanDerWaalsContact O-N 3.09Å; G312-H319 PolarHBondContact O-CE1 2.94Å
313	P	80	Confident	88.8	Confident	112 Å²	112	63.3 Å²	63.3	73%	0.727	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-62.5	-4.4	176.5	-24.4	35.3	0	0	0	116.3
314	Q	86.1	Confident	88.9	Confident	174 Å²	174	62 Å²	62	81%	0.813	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-99.9	4.9	176.3	-51.8	-179.4	9.7	0	0	112.7	L311 G312	L311-Q314 WeakPolarHBondContact O-CA 2.91Å; L311-Q314 WeakPolarHBondContact O-CB 2.97Å; L311-Q314 PolarHBondContact O-N 2.88Å; G312-Q314 PolarHBondContact O-N 2.93Å
315	C	87.3	Confident	88.9	Confident	20 Å²	20	60.9 Å²	60.9	14%	0.135	33%	0.331	C	S	.	.			trans	-62.4	132.7	175.5	-164.1	0	0	0	0	110.9	C309 L311 G312 Q317 H319	C309-C315 VanDerWaalsContact SG-SG 3.67Å; L311-C315 HydrophobicContact CB-CB 3.99Å; G312-C315 WeakPolarHBondContact O-CB 3.22Å; G312-C315 PolarHBondContact O-N 3.42Å; G312-C315 VanDerWaalsContact O-N 3.09Å; C315-Q317 PolarHBondContact O-N 2.89Å; C315-H319 VanDerWaalsContact CB-NE2 3.32Å; C315-H319 WeakPolarHBondContact CB-NE2 3.44Å
316	P	89.6	Confident	89.1	Confident	101 Å²	101	62.7 Å²	62.7	66%	0.656	34%	0.335	S	S	*	.	S	Bend	trans	-79	-3.4	174.9	33.2	-36.7	0	0	0	113.3	P296	P296-P316 WeakPolarHBondContact CB-O 3.29Å
317	Q	91.8	Very high	89.3	Confident	59 Å²	59	58.1 Å²	58.1	28%	0.276	32%	0.324	S	S	.	.	S	Bend	trans	-106.1	160.3	176.9	-60.5	-179.6	-72.2	0	0	110.3	I299 C300 C315	I299-Q317 PolarHBondContact O-NE2 3.22Å; C300-Q317 HydrophobicContact CB-CB 3.74Å; C300-Q317 PolarHBondContact SG-OE1 2.83Å; C315-Q317 PolarHBondContact O-N 2.89Å
318	S	90.3	Very high	89.5	Confident	10 Å²	10	58.4 Å²	58.4	7%	0.07	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-73.9	135.8	-177.5	-164.9	0	0	0	0	112.5	S298 C300 D320	S298-S318 PolarHBondContact O-N 3.3Å; C300-S318 PolarHBondContact N-O 2.81Å; S318-D320 WeakPolarHBondContact OG-CB 3.37Å; S318-D320 PolarHBondContact OG-N 2.93Å; S318-D320 VanDerWaalsContact OG-N 3.16Å
319	H	90.3	Very high	89.6	Confident	48 Å²	48	55.3 Å²	55.3	22%	0.222	31%	0.311	C	S	.	.			trans	-103.1	8.1	166.1	-65.4	177.2	0	0	0	111.9	F303 C309 G312 C315 I321	F303-H319 HydrophobicContact CD1-CB 3.7Å; F303-H319 AromaticContact CD1-CG 4Å; F303-H319 HydrophobicContact CD2-CB 4.17Å; F303-H319 AromaticContact CD2-CG 3.75Å; F303-H319 AromaticContact CD2-ND1 3.73Å; F303-H319 HydrophobicContact CE1-CB 3.84Å; F303-H319 WeakPolarHBondContact CE1-O 3.07Å; F303-H319 HydrophobicContact CE2-CB 4.3Å; F303-H319 HydrophobicContact CG-CB 3.88Å; F303-H319 AromaticContact CG-CD2 3.67Å; F303-H319 AromaticContact CG-CG 3.63Å; F303-H319 HydrophobicContact CZ-CB 4.14Å; C309-H319 VanDerWaalsContact CB-CE1 3.45Å; C309-H319 WeakPolarHBondContact CB-CE1 3Å; C309-H319 VanDerWaalsContact CB-NE2 3.34Å; C309-H319 WeakPolarHBondContact CB-NE2 3.12Å; C309-H319 PolarHBondContact SG-NE2 2.84Å; G312-H319 PolarHBondContact O-CE1 2.94Å; C315-H319 VanDerWaalsContact CB-NE2 3.32Å; C315-H319 WeakPolarHBondContact CB-NE2 3.44Å; H319-I321 PolarHBondContact O-N 3.49Å
320	D	89.4	Confident	89.8	Confident	58 Å²	58	58 Å²	58	31%	0.31	33%	0.334	S	S	.	.			trans	-61	113.5	179	-177.6	-28.4	0	0	0	111	S318 D322 L323 I324	S318-D320 WeakPolarHBondContact OG-CB 3.37Å; S318-D320 PolarHBondContact OG-N 2.93Å; S318-D320 VanDerWaalsContact OG-N 3.16Å; D320-D322 PolarHBondContact OD1-N 3.49Å; D320-L323 HydrophobicContact CB-CB 3.88Å; D320-L323 HydrophobicContact CB-CD2 4.5Å; D320-L323 PolarHBondContact O-N 3.15Å; D320-L323 PolarHBondContact OD1-N 3.18Å; D320-I324 WeakPolarHBondContact O-CD1 3.45Å; D320-I324 VanDerWaalsContact O-CG1 3.23Å; D320-I324 WeakPolarHBondContact O-CG1 3.5Å; D320-I324 PolarHBondContact O-N 2.88Å
321	I	90.6	Very high	90	Very high	9 Å²	9	55.9 Å²	55.9	5%	0.046	32%	0.323	C	S	.	.	H	α-helix	trans	-74.3	-29	-174.5	-67.7	174.8	0	0	0	112.2	Y243 E245 R249 F303 H319 I324 I325	Y243-I321 HydrophobicContact CE2-CD1 3.91Å; E245-I321 HydrophobicContact CB-CD1 3.94Å; E245-I321 HydrophobicContact CG-CD1 3.58Å; E245-I321 WeakPolarHBondContact OE2-CD1 3.28Å; R249-I321 HydrophobicContact CB-CG2 3.84Å; R249-I321 HydrophobicContact CG-CB 4.47Å; R249-I321 HydrophobicContact CG-CG2 3.77Å; F303-I321 HydrophobicContact CE1-CD1 4.05Å; F303-I321 HydrophobicContact CE1-CG1 3.84Å; F303-I321 HydrophobicContact CZ-CD1 4.44Å; H319-I321 PolarHBondContact O-N 3.49Å; I321-I324 HydrophobicContact CG1-CD1 4.44Å; I321-I324 PolarHBondContact O-N 3.39Å; I321-I325 HydrophobicContact CG2-CD1 3.63Å; I321-I325 HydrophobicContact CG2-CG1 4.14Å; I321-I325 VanDerWaalsContact O-CG1 3.24Å; I321-I325 WeakPolarHBondContact O-CG1 3.41Å; I321-I325 PolarHBondContact O-N 2.74Å
322	D	90.9	Very high	90.1	Very high	49 Å²	49	52.9 Å²	52.9	26%	0.262	31%	0.312	S	S	.	.	H	α-helix	trans	-69.3	-41.5	175.1	-83.7	-69	0	0	0	110.7	R253 D320 I324 I325 D326	R253-D322 VanDerWaalsContact CD-OD1 3.26Å; R253-D322 WeakPolarHBondContact CD-OD1 3.29Å; R253-D322 IonicContact CZ-OD1 3.68Å; R253-D322 IonicContact NE-OD1 2.64Å; R253-D322 PolarHBondContact NH1-O 3.27Å; R253-D322 IonicContact NH1-OD1 3.72Å; R253-D322 PolarHBondContact NH1-OD1 3.17Å; D320-D322 PolarHBondContact OD1-N 3.49Å; D322-I324 VanDerWaalsContact C-N 3.33Å; D322-I324 PolarHBondContact O-N 2.97Å; D322-I325 PolarHBondContact O-N 3.41Å; D322-D326 WeakPolarHBondContact O-CB 3.37Å; D322-D326 VanDerWaalsContact O-CG 3.3Å; D322-D326 PolarHBondContact O-N 3.44Å
323	L	92.4	Very high	90.4	Very high	58 Å²	58	55 Å²	55	30%	0.304	32%	0.315	S	S	.	.	H	α-helix	trans	-61.9	-38	171.2	-177.4	64.3	0	0	0	112.6	I299 D320 T327	I299-L323 HydrophobicContact CD1-CG 4.22Å; I299-L323 HydrophobicContact CG1-CD2 4.14Å; I299-L323 HydrophobicContact CG1-CG 4.13Å; D320-L323 HydrophobicContact CB-CB 3.88Å; D320-L323 HydrophobicContact CB-CD2 4.5Å; D320-L323 PolarHBondContact O-N 3.15Å; D320-L323 PolarHBondContact OD1-N 3.18Å; L323-T327 WeakPolarHBondContact O-CB 3.49Å; L323-T327 PolarHBondContact O-N 3.15Å; L323-T327 VanDerWaalsContact O-N 3.12Å; L323-T327 PolarHBondContact O-OG1 2.91Å
324	I	93.8	Very high	91	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-51.3	174.3	-73.4	160	0	0	0	110.7	Y246 I299 F303 S304 D320 I321 D322 D326 T327 D328	Y246-I324 HydrophobicContact CD2-CG2 4.01Å; Y246-I324 HydrophobicContact CE2-CG2 3.87Å; I299-I324 HydrophobicContact CB-CG1 4.47Å; I299-I324 HydrophobicContact CD1-CG1 4.12Å; I299-I324 HydrophobicContact CG1-CG1 4.03Å; I299-I324 HydrophobicContact CG2-CD1 4.22Å; I299-I324 HydrophobicContact CG2-CG1 3.62Å; F303-I324 HydrophobicContact CD1-CD1 3.89Å; F303-I324 HydrophobicContact CE1-CD1 4.43Å; S304-I324 WeakPolarHBondContact OG-CG2 3.43Å; D320-I324 WeakPolarHBondContact O-CD1 3.45Å; D320-I324 VanDerWaalsContact O-CG1 3.23Å; D320-I324 WeakPolarHBondContact O-CG1 3.5Å; D320-I324 PolarHBondContact O-N 2.88Å; I321-I324 HydrophobicContact CG1-CD1 4.44Å; I321-I324 PolarHBondContact O-N 3.39Å; D322-I324 VanDerWaalsContact C-N 3.33Å; D322-I324 PolarHBondContact O-N 2.97Å; I324-D326 PolarHBondContact O-N 3.17Å; I324-T327 PolarHBondContact O-N 2.88Å; I324-D328 PolarHBondContact O-N 3.13Å
325	I	93.9	Very high	91.2	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.3	-37.5	-178	-61.3	162.4	0	0	0	111	Y246 R249 K250 I321 D322 T327 D328 E329	Y246-I325 HydrophobicContact CD2-CD1 4.35Å; Y246-I325 HydrophobicContact CD2-CG1 3.72Å; Y246-I325 HydrophobicContact CE2-CG1 3.57Å; Y246-I325 HydrophobicContact CG-CG1 4.4Å; R249-I325 HydrophobicContact CB-CD1 3.64Å; K250-I325 HydrophobicContact CB-CD1 4.02Å; K250-I325 HydrophobicContact CG-CG2 4.34Å; I321-I325 HydrophobicContact CG2-CD1 3.63Å; I321-I325 HydrophobicContact CG2-CG1 4.14Å; I321-I325 VanDerWaalsContact O-CG1 3.24Å; I321-I325 WeakPolarHBondContact O-CG1 3.41Å; I321-I325 PolarHBondContact O-N 2.74Å; D322-I325 PolarHBondContact O-N 3.41Å; I325-T327 VanDerWaalsContact C-N 3.31Å; I325-T327 PolarHBondContact O-N 2.91Å; I325-D328 PolarHBondContact O-N 3.49Å; I325-E329 HydrophobicContact CG2-CG 4.21Å; I325-E329 WeakPolarHBondContact CG2-OE1 3.23Å; I325-E329 WeakPolarHBondContact O-CB 3.4Å; I325-E329 WeakPolarHBondContact O-CG 3.38Å; I325-E329 PolarHBondContact O-N 2.86Å
326	D	93.6	Very high	91.3	Very high	86 Å²	86	56.2 Å²	56.2	46%	0.46	30%	0.302	S	S	.	.	H	α-helix	trans	-58	-43.7	172.7	-80.4	4.2	0	0	0	111.8	R253 D322 I324 E329 A330	R253-D326 IonicContact CZ-OD1 2.79Å; R253-D326 VanDerWaalsContact CZ-OD1 3.27Å; R253-D326 IonicContact NH1-OD1 2.84Å; R253-D326 PolarHBondContact NH1-OD1 3.17Å; R253-D326 IonicContact NH2-OD1 3.97Å; R253-D326 PolarHBondContact NH2-OD1 3.06Å; D322-D326 WeakPolarHBondContact O-CB 3.37Å; D322-D326 VanDerWaalsContact O-CG 3.3Å; D322-D326 PolarHBondContact O-N 3.44Å; I324-D326 PolarHBondContact O-N 3.17Å; D326-E329 PolarHBondContact O-N 3.37Å; D326-A330 VanDerWaalsContact O-CB 3.3Å; D326-A330 WeakPolarHBondContact O-CB 3.47Å; D326-A330 PolarHBondContact O-N 3.28Å
327	T	92.6	Very high	91.5	Very high	70 Å²	70	57.2 Å²	57.2	43%	0.429	29%	0.292	S	S	.	.	H	α-helix	trans	-66.5	-41.7	178.8	-59.8	0	0	0	0	111.6	I299 L323 I324 I325 A331	I299-T327 HydrophobicContact CD1-CG2 4.02Å; I299-T327 VanDerWaalsContact CD1-OG1 3.27Å; I299-T327 WeakPolarHBondContact CD1-OG1 3.26Å; L323-T327 WeakPolarHBondContact O-CB 3.49Å; L323-T327 PolarHBondContact O-N 3.15Å; L323-T327 VanDerWaalsContact O-N 3.12Å; L323-T327 PolarHBondContact O-OG1 2.91Å; I324-T327 PolarHBondContact O-N 2.88Å; I325-T327 VanDerWaalsContact C-N 3.31Å; I325-T327 PolarHBondContact O-N 2.91Å; T327-A331 VanDerWaalsContact O-CB 3.27Å; T327-A331 WeakPolarHBondContact O-CB 3.38Å; T327-A331 PolarHBondContact O-N 3.19Å
328	D	92.8	Very high	91.5	Very high	29 Å²	29	62.3 Å²	62.3	16%	0.155	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-47	174	-87.8	-24.5	0	0	0	112.9	V240 Y246 I324 I325 A331 A332	V240-D328 HydrophobicContact CB-CB 4.49Å; V240-D328 WeakPolarHBondContact CB-OD2 3.1Å; V240-D328 WeakPolarHBondContact CG1-OD1 3.2Å; V240-D328 HydrophobicContact CG2-CB 4.12Å; Y246-D328 VanDerWaalsContact CE2-OD2 3.28Å; Y246-D328 WeakPolarHBondContact CE2-OD2 3.5Å; Y246-D328 PolarHBondContact OH-OD2 3.15Å; I324-D328 PolarHBondContact O-N 3.13Å; I325-D328 PolarHBondContact O-N 3.49Å; D328-A331 PolarHBondContact O-N 3.02Å; D328-A332 VanDerWaalsContact O-CB 3.25Å; D328-A332 WeakPolarHBondContact O-CB 3.35Å; D328-A332 PolarHBondContact O-N 3.46Å
329	E	91.5	Very high	91.6	Very high	67 Å²	67	70 Å²	70	31%	0.313	34%	0.336	S	S	.	.	H	α-helix	trans	-60.3	-45.9	177.6	-77.7	-173.9	-139.2	0	0	110.7	R253 K257 I325 D326 A332 E333	R253-E329 IonicContact CZ-OE1 3.14Å; R253-E329 IonicContact NE-OE1 3.52Å; R253-E329 IonicContact NH2-OE1 2.72Å; R253-E329 PolarHBondContact NH2-OE1 3.39Å; K257-E329 IonicContact NZ-OE1 2.71Å; K257-E329 PolarHBondContact NZ-OE1 2.84Å; K257-E329 IonicContact NZ-OE2 2.87Å; K257-E329 PolarHBondContact NZ-OE2 3.26Å; I325-E329 HydrophobicContact CG2-CG 4.21Å; I325-E329 WeakPolarHBondContact CG2-OE1 3.23Å; I325-E329 WeakPolarHBondContact O-CB 3.4Å; I325-E329 WeakPolarHBondContact O-CG 3.38Å; I325-E329 PolarHBondContact O-N 2.86Å; D326-E329 PolarHBondContact O-N 3.37Å; E329-A332 PolarHBondContact O-N 3.08Å; E329-E333 PolarHBondContact O-N 2.91Å
330	A	91.9	Very high	91.7	Very high	65 Å²	65	75 Å²	75	54%	0.537	35%	0.354	S	S	.	.	H	α-helix	trans	-63.4	-44	177	0	0	0	0	0	112.4	D326 A332 E333 D334	D326-A330 VanDerWaalsContact O-CB 3.3Å; D326-A330 WeakPolarHBondContact O-CB 3.47Å; D326-A330 PolarHBondContact O-N 3.28Å; A330-A332 VanDerWaalsContact C-N 3.35Å; A330-E333 PolarHBondContact O-N 3.48Å; A330-D334 PolarHBondContact O-N 3.11Å
331	A	91	Very high	91.9	Very high	40 Å²	40	79.4 Å²	79.4	33%	0.331	37%	0.366	S	S	.	.	H	α-helix	trans	-65.5	-37	176.4	0	0	0	0	0	112.1	T327 D328 K335	T327-A331 VanDerWaalsContact O-CB 3.27Å; T327-A331 WeakPolarHBondContact O-CB 3.38Å; T327-A331 PolarHBondContact O-N 3.19Å; D328-A331 PolarHBondContact O-N 3.02Å; A331-K335 WeakPolarHBondContact O-CB 3.49Å; A331-K335 WeakPolarHBondContact O-CD 3.23Å; A331-K335 WeakPolarHBondContact O-CG 3.49Å; A331-K335 PolarHBondContact O-N 2.82Å; A331-K335 VanDerWaalsContact O-N 3.09Å
332	A	89.2	Confident	92	Very high	31 Å²	31	88.9 Å²	88.9	26%	0.256	40%	0.401	S	S	.	.	H	α-helix	trans	-67	-44.5	175.5	0	0	0	0	0	112	D328 E329 A330 K335 R336	D328-A332 VanDerWaalsContact O-CB 3.25Å; D328-A332 WeakPolarHBondContact O-CB 3.35Å; D328-A332 PolarHBondContact O-N 3.46Å; E329-A332 PolarHBondContact O-N 3.08Å; A330-A332 VanDerWaalsContact C-N 3.35Å; A332-K335 WeakPolarHBondContact O-CB 3.26Å; A332-K335 PolarHBondContact O-N 2.69Å; A332-R336 VanDerWaalsContact O-CG 3.32Å; A332-R336 WeakPolarHBondContact O-CG 3.27Å; A332-R336 PolarHBondContact O-N 3.22Å
333	E	90.1	Very high	92	Very high	69 Å²	69	90.2 Å²	90.2	32%	0.322	41%	0.406	S	S	.	.	H	α-helix	trans	-71.7	-33	178.8	-170	53.3	-143.8	0	0	112.4	E329 A330 R336 R337 R340	E329-E333 PolarHBondContact O-N 2.91Å; A330-E333 PolarHBondContact O-N 3.48Å; E333-R336 PolarHBondContact O-N 2.72Å; E333-R336 WeakPolarHBondContact OE2-CD 3.47Å; E333-R336 IonicContact OE2-NE 2.67Å; E333-R336 IonicContact OE2-NH1 3.62Å; E333-R336 PolarHBondContact OE2-NH1 2.69Å; E333-R337 VanDerWaalsContact O-CB 3.23Å; E333-R337 WeakPolarHBondContact O-CB 3.18Å; E333-R337 PolarHBondContact O-N 3.06Å; E333-R340 IonicContact OE1-CZ 3.82Å; E333-R340 IonicContact OE1-NH1 2.6Å; E333-R340 PolarHBondContact OE1-NH1 3.16Å
334	D	92	Very high	92	Very high	32 Å²	32	95.2 Å²	95.2	17%	0.171	43%	0.425	C	S	.	.	H	α-helix	trans	-68.3	-36.6	171	-168.4	46.7	0	0	0	112.4	A330 R336 R337 R338	A330-D334 PolarHBondContact O-N 3.11Å; D334-R336 VanDerWaalsContact C-N 3.34Å; D334-R336 PolarHBondContact O-N 3.18Å; D334-R337 PolarHBondContact O-N 2.88Å; D334-R337 IonicContact OD1-CZ 3.88Å; D334-R337 IonicContact OD1-NE 2.79Å; D334-R337 PolarHBondContact OD1-NE 3.39Å; D334-R337 IonicContact OD1-NH2 2.71Å; D334-R337 PolarHBondContact OD1-NH2 3.39Å; D334-R338 WeakPolarHBondContact O-CB 3.49Å; D334-R338 VanDerWaalsContact O-CG 3.26Å; D334-R338 WeakPolarHBondContact O-CG 3.24Å; D334-R338 PolarHBondContact O-N 2.65Å; D334-R338 IonicContact OD1-NE 3.91Å; D334-R338 IonicContact OD2-CZ 2.69Å; D334-R338 IonicContact OD2-NE 2.83Å; D334-R338 PolarHBondContact OD2-NE 2.79Å; D334-R338 IonicContact OD2-NH2 3.73Å; D334-R338 PolarHBondContact OD2-NH2 2.73Å
335	K	91	Very high	91.9	Very high	148 Å²	148	104.4 Å²	104.4	64%	0.643	46%	0.459	S	S	*	.	H	α-helix	trans	-58	-45.5	169.9	-72.6	163.1	-172	168.5	0	110.9	A331 A332 R338 R339	A331-K335 WeakPolarHBondContact O-CB 3.49Å; A331-K335 WeakPolarHBondContact O-CD 3.23Å; A331-K335 WeakPolarHBondContact O-CG 3.49Å; A331-K335 PolarHBondContact O-N 2.82Å; A331-K335 VanDerWaalsContact O-N 3.09Å; A332-K335 WeakPolarHBondContact O-CB 3.26Å; A332-K335 PolarHBondContact O-N 2.69Å; K335-R338 PolarHBondContact O-N 3.38Å; K335-R339 WeakPolarHBondContact O-CB 3.44Å; K335-R339 PolarHBondContact O-N 3.09Å
336	R	89.6	Confident	91.7	Very high	152 Å²	152	111.3 Å²	111.3	57%	0.574	49%	0.49	S	S	*	.	H	α-helix	trans	-62.8	-43.5	174.6	-69.6	164.8	174.9	178.3	1.2	112.2	A332 E333 D334 R339 R340	A332-R336 VanDerWaalsContact O-CG 3.32Å; A332-R336 WeakPolarHBondContact O-CG 3.27Å; A332-R336 PolarHBondContact O-N 3.22Å; E333-R336 PolarHBondContact O-N 2.72Å; E333-R336 WeakPolarHBondContact OE2-CD 3.47Å; E333-R336 IonicContact OE2-NE 2.67Å; E333-R336 IonicContact OE2-NH1 3.62Å; E333-R336 PolarHBondContact OE2-NH1 2.69Å; D334-R336 VanDerWaalsContact C-N 3.34Å; D334-R336 PolarHBondContact O-N 3.18Å; R336-R339 WeakPolarHBondContact O-CB 3.35Å; R336-R339 PolarHBondContact O-N 2.83Å; R336-R340 WeakPolarHBondContact O-CG 3.41Å; R336-R340 PolarHBondContact O-N 3.26Å
337	R	92.8	Very high	91.6	Very high	122 Å²	122	115.7 Å²	115.7	46%	0.46	50%	0.5	S	S	.	.	H	α-helix	trans	-62.1	-44.6	176.8	-173	173.1	71.3	167.5	0.4	112.1	E333 D334 R341	E333-R337 VanDerWaalsContact O-CB 3.23Å; E333-R337 WeakPolarHBondContact O-CB 3.18Å; E333-R337 PolarHBondContact O-N 3.06Å; D334-R337 PolarHBondContact O-N 2.88Å; D334-R337 IonicContact OD1-CZ 3.88Å; D334-R337 IonicContact OD1-NE 2.79Å; D334-R337 PolarHBondContact OD1-NE 3.39Å; D334-R337 IonicContact OD1-NH2 2.71Å; D334-R337 PolarHBondContact OD1-NH2 3.39Å; R337-R341 WeakPolarHBondContact O-CB 3.4Å; R337-R341 VanDerWaalsContact O-CG 3.29Å; R337-R341 WeakPolarHBondContact O-CG 3.44Å; R337-R341 PolarHBondContact O-N 2.83Å
338	R	92.8	Very high	91.4	Very high	166 Å²	166	114.9 Å²	114.9	63%	0.626	50%	0.5	S	S	*	.	H	α-helix	trans	-60.9	-44.1	172.8	-70.7	177.2	-162.6	-156	8.8	111.2	D334 K335 R341 R342	D334-R338 WeakPolarHBondContact O-CB 3.49Å; D334-R338 VanDerWaalsContact O-CG 3.26Å; D334-R338 WeakPolarHBondContact O-CG 3.24Å; D334-R338 PolarHBondContact O-N 2.65Å; D334-R338 IonicContact OD1-NE 3.91Å; D334-R338 IonicContact OD2-CZ 2.69Å; D334-R338 IonicContact OD2-NE 2.83Å; D334-R338 PolarHBondContact OD2-NE 2.79Å; D334-R338 IonicContact OD2-NH2 3.73Å; D334-R338 PolarHBondContact OD2-NH2 2.73Å; K335-R338 PolarHBondContact O-N 3.38Å; R338-R341 PolarHBondContact O-N 3.44Å; R338-R342 PolarHBondContact O-N 3.06Å
339	R	91.6	Very high	91.1	Very high	170 Å²	170	119.4 Å²	119.4	64%	0.642	52%	0.523	S	S	*	.	H	α-helix	trans	-60.9	-52.6	175.7	-179.6	175.3	172.2	173.4	-2.3	112.1	K335 R336 R341 R342 E343	K335-R339 WeakPolarHBondContact O-CB 3.44Å; K335-R339 PolarHBondContact O-N 3.09Å; R336-R339 WeakPolarHBondContact O-CB 3.35Å; R336-R339 PolarHBondContact O-N 2.83Å; R339-R341 VanDerWaalsContact C-N 3.27Å; R339-R341 PolarHBondContact O-N 2.8Å; R339-R342 WeakPolarHBondContact O-CB 3.26Å; R339-R342 PolarHBondContact O-N 2.83Å; R339-E343 HydrophobicContact CG-CG 4.45Å; R339-E343 WeakPolarHBondContact CG-OE1 3.27Å; R339-E343 IonicContact CZ-OE1 3.56Å; R339-E343 IonicContact NE-OE1 2.68Å; R339-E343 PolarHBondContact NE-OE1 3.4Å; R339-E343 IonicContact NH2-OE1 2.69Å; R339-E343 PolarHBondContact NH2-OE1 3.49Å; R339-E343 PolarHBondContact O-N 3.25Å
340	R	93	Very high	90.6	Very high	154 Å²	154	121.3 Å²	121.3	58%	0.581	54%	0.535	S	S	*	.	H	α-helix	trans	-54.1	-41.5	175.6	-73.4	171	174	152.1	-4.5	111.9	E333 R336 K344	E333-R340 IonicContact OE1-CZ 3.82Å; E333-R340 IonicContact OE1-NH1 2.6Å; E333-R340 PolarHBondContact OE1-NH1 3.16Å; R336-R340 WeakPolarHBondContact O-CG 3.41Å; R336-R340 PolarHBondContact O-N 3.26Å; R340-K344 WeakPolarHBondContact O-CB 3.36Å; R340-K344 PolarHBondContact O-N 2.93Å
341	R	93.1	Very high	89.6	Confident	151 Å²	151	123.9 Å²	123.9	57%	0.57	54%	0.54	S	S	*	.	H	α-helix	trans	-64	-43.2	174.3	-74	171.8	176.1	-176.7	-1.6	112.7	R337 R338 R339 K344 R345	R337-R341 WeakPolarHBondContact O-CB 3.4Å; R337-R341 VanDerWaalsContact O-CG 3.29Å; R337-R341 WeakPolarHBondContact O-CG 3.44Å; R337-R341 PolarHBondContact O-N 2.83Å; R338-R341 PolarHBondContact O-N 3.44Å; R339-R341 VanDerWaalsContact C-N 3.27Å; R339-R341 PolarHBondContact O-N 2.8Å; R341-K344 PolarHBondContact O-N 3.36Å; R341-R345 WeakPolarHBondContact O-CG 3.44Å; R341-R345 PolarHBondContact O-N 3.43Å
342	R	91.8	Very high	88.1	Confident	207 Å²	207	128.5 Å²	128.5	78%	0.781	56%	0.558	S	S	*	*	H	α-helix	trans	-64.5	-41.7	176.4	-170.7	178.8	-176.5	-176.8	1.6	111.8	R338 R339 R345 K346	R338-R342 PolarHBondContact O-N 3.06Å; R339-R342 WeakPolarHBondContact O-CB 3.26Å; R339-R342 PolarHBondContact O-N 2.83Å; R342-R345 PolarHBondContact O-N 2.83Å; R342-K346 PolarHBondContact O-N 2.87Å
343	E	91.1	Very high	86.5	Confident	77 Å²	77	130.9 Å²	130.9	36%	0.36	58%	0.578	S	S	.	*	H	α-helix	trans	-67	-42.2	177.2	-71	171.5	176.3	0	0	111.9	R339 R345 K346 R347	R339-E343 HydrophobicContact CG-CG 4.45Å; R339-E343 WeakPolarHBondContact CG-OE1 3.27Å; R339-E343 IonicContact CZ-OE1 3.56Å; R339-E343 IonicContact NE-OE1 2.68Å; R339-E343 PolarHBondContact NE-OE1 3.4Å; R339-E343 IonicContact NH2-OE1 2.69Å; R339-E343 PolarHBondContact NH2-OE1 3.49Å; R339-E343 PolarHBondContact O-N 3.25Å; E343-R345 PolarHBondContact O-N 3.35Å; E343-K346 PolarHBondContact O-N 2.98Å; E343-R347 WeakPolarHBondContact O-CG 3.39Å; E343-R347 PolarHBondContact O-N 3.3Å
344	K	92.4	Very high	84.6	Confident	163 Å²	163	130.7 Å²	130.7	71%	0.709	60%	0.595	S	S	*	*	H	α-helix	trans	-61.2	-41.5	172.9	-170.8	173.6	-177.9	177.1	0	112	R340 R341 R347 A348	R340-K344 WeakPolarHBondContact O-CB 3.36Å; R340-K344 PolarHBondContact O-N 2.93Å; R341-K344 PolarHBondContact O-N 3.36Å; K344-R347 PolarHBondContact O-N 2.85Å; K344-A348 WeakPolarHBondContact O-CB 3.49Å; K344-A348 PolarHBondContact O-N 2.9Å
345	R	91.3	Very high	82.5	Confident	193 Å²	193	134.5 Å²	134.5	73%	0.728	62%	0.619	S	S	*	*	H	α-helix	trans	-62	-44	173.2	-75.6	179.7	176	-176.6	-2	112.2	R341 R342 E343 R347 A348 L349	R341-R345 WeakPolarHBondContact O-CG 3.44Å; R341-R345 PolarHBondContact O-N 3.43Å; R342-R345 PolarHBondContact O-N 2.83Å; E343-R345 PolarHBondContact O-N 3.35Å; R345-R347 PolarHBondContact O-N 3.04Å; R345-A348 PolarHBondContact O-N 3.22Å; R345-L349 WeakPolarHBondContact O-CG 3.25Å; R345-L349 PolarHBondContact O-N 3.3Å
346	K	91.2	Very high	80.2	Confident	146 Å²	146	135.8 Å²	135.8	64%	0.635	63%	0.628	S	S	*	*	H	α-helix	trans	-61.2	-44	176.6	-171.9	179.3	179.5	-177.4	0	111.8	R342 E343 L349 L350	R342-K346 PolarHBondContact O-N 2.87Å; E343-K346 PolarHBondContact O-N 2.98Å; K346-L349 PolarHBondContact O-N 3.22Å; K346-L350 HydrophobicContact CG-CD1 4.18Å; K346-L350 WeakPolarHBondContact O-CG 3.44Å; K346-L350 PolarHBondContact O-N 3.19Å; K346-L350 VanDerWaalsContact O-N 3.1Å
347	R	90.1	Very high	77.5	Confident	178 Å²	178	135.4 Å²	135.4	67%	0.672	64%	0.642	S	S	*	*	H	α-helix	trans	-63.4	-42.5	175.6	-69	-177.7	-173.3	-171.5	2.5	112	E343 K344 R345 L349 L350 N351	E343-R347 WeakPolarHBondContact O-CG 3.39Å; E343-R347 PolarHBondContact O-N 3.3Å; K344-R347 PolarHBondContact O-N 2.85Å; R345-R347 PolarHBondContact O-N 3.04Å; R347-L349 PolarHBondContact O-N 2.89Å; R347-L350 PolarHBondContact O-N 2.84Å; R347-N351 WeakPolarHBondContact O-CB 3.32Å; R347-N351 VanDerWaalsContact O-CG 3.29Å; R347-N351 PolarHBondContact O-N 3.06Å; R347-N351 PolarHBondContact O-OD1 2.99Å; R347-N351 VanDerWaalsContact O-OD1 3.11Å
348	A	88.8	Confident	74.9	Confident	52 Å²	52	135.6 Å²	135.6	43%	0.43	66%	0.662	S	S	.	*	H	α-helix	trans	-60.9	-43.6	177	0	0	0	0	0	112.6	K344 R345 N351 L352	K344-A348 WeakPolarHBondContact O-CB 3.49Å; K344-A348 PolarHBondContact O-N 2.9Å; R345-A348 PolarHBondContact O-N 3.22Å; A348-N351 PolarHBondContact O-N 3.26Å; A348-L352 WeakPolarHBondContact O-CD1 3.32Å; A348-L352 PolarHBondContact O-N 3.2Å
349	L	86.4	Confident	71.9	Confident	124 Å²	124	131 Å²	131	65%	0.649	67%	0.666	S	S	*	*	H	α-helix	trans	-64.1	-41.7	176.8	-71.4	167.1	0	0	0	112.6	R345 K346 R347 N351 L352 A353	R345-L349 WeakPolarHBondContact O-CG 3.25Å; R345-L349 PolarHBondContact O-N 3.3Å; K346-L349 PolarHBondContact O-N 3.22Å; R347-L349 PolarHBondContact O-N 2.89Å; L349-N351 VanDerWaalsContact C-N 3.33Å; L349-N351 PolarHBondContact O-N 3.35Å; L349-L352 PolarHBondContact O-N 2.93Å; L349-A353 PolarHBondContact O-N 3.11Å; L349-A353 VanDerWaalsContact O-N 3.12Å
350	L	80.5	Confident	69.1	Low	107 Å²	107	132.4 Å²	132.4	56%	0.56	68%	0.68	S	S	*	*	H	α-helix	trans	-63.7	-38.4	174.8	-72	166.7	0	0	0	112	K346 R347 A353 G354	K346-L350 HydrophobicContact CG-CD1 4.18Å; K346-L350 WeakPolarHBondContact O-CG 3.44Å; K346-L350 PolarHBondContact O-N 3.19Å; K346-L350 VanDerWaalsContact O-N 3.1Å; R347-L350 PolarHBondContact O-N 2.84Å; L350-A353 PolarHBondContact O-N 2.76Å; L350-G354 PolarHBondContact O-N 2.8Å
351	N	72.4	Confident	66.5	Low	119 Å²	119	129.7 Å²	129.7	64%	0.636	69%	0.691	S	S	*	*	H	α-helix	trans	-70.2	-35.3	177.6	-70.8	18.8	0	0	0	112.4	R347 A348 L349 G354	R347-N351 WeakPolarHBondContact O-CB 3.32Å; R347-N351 VanDerWaalsContact O-CG 3.29Å; R347-N351 PolarHBondContact O-N 3.06Å; R347-N351 PolarHBondContact O-OD1 2.99Å; R347-N351 VanDerWaalsContact O-OD1 3.11Å; A348-N351 PolarHBondContact O-N 3.26Å; L349-N351 VanDerWaalsContact C-N 3.33Å; L349-N351 PolarHBondContact O-N 3.35Å; N351-G354 PolarHBondContact O-N 2.9Å
352	L	60	Low	63.6	Low	137 Å²	137	132.5 Å²	132.5	72%	0.717	71%	0.707	S	S	*	*	H	α-helix	trans	-65.8	-37	172.7	-98	73.2	0	0	0	112.2	A348 L349 G354	A348-L352 WeakPolarHBondContact O-CD1 3.32Å; A348-L352 PolarHBondContact O-N 3.2Å; L349-L352 PolarHBondContact O-N 2.93Å; L352-G354 PolarHBondContact O-N 3.31Å
353	A	54.7	Low	60.8	Low	82 Å²	82	131 Å²	131	68%	0.678	71%	0.714	S	S	*	*	H	α-helix	trans	-68.5	-17.5	175.1	0	0	0	0	0	113.3	L349 L350 T355	L349-A353 PolarHBondContact O-N 3.11Å; L349-A353 VanDerWaalsContact O-N 3.12Å; L350-A353 PolarHBondContact O-N 2.76Å; A353-T355 VanDerWaalsContact C-N 3.25Å; A353-T355 PolarHBondContact O-N 3.19Å
354	G	50.2	Low	58	Low	65 Å²	65	130 Å²	130	67%	0.67	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	6.7	-179.4	0	0	0	0	0	115.6	L350 N351 L352	L350-G354 PolarHBondContact O-N 2.8Å; N351-G354 PolarHBondContact O-N 2.9Å; L352-G354 PolarHBondContact O-N 3.31Å
355	T	47.9	Very low	55.4	Low	112 Å²	112	128.2 Å²	128.2	69%	0.687	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.1	29.9	-173.2	-41.1	0	0	0	0	114.2	A353	A353-T355 VanDerWaalsContact C-N 3.25Å; A353-T355 PolarHBondContact O-N 3.19Å
356	Q	42.6	Very low	52.7	Low	174 Å²	174	125.1 Å²	125.1	81%	0.813	74%	0.736	S	S	*	*	S	Bend	trans	-164.3	93.3	158.1	-117.3	165.2	66.7	0	0	113.6
357	T	33.2	Very low	49.9	Very low	144 Å²	144	127.7 Å²	127.7	88%	0.883	75%	0.747	S	S	*	*				156.1	133.7	124.1	42.1	0	0	0	0	111.1
358	S	37	Very low	46.9	Very low	126 Å²	126	129 Å²	129	88%	0.881	76%	0.757	S	S	*	*			trans	-93	121.8	165.1	51.1	0	0	0	0	108.7
359	G	31.6	Very low	44	Very low	69 Å²	69	135 Å²	135	71%	0.711	78%	0.777	S	S	*	*			trans	-175	89.1	-177.8	0	0	0	0	0	114.7
360	E	31.7	Very low	41.2	Very low	200 Å²	200	135.2 Å²	135.2	94%	0.935	78%	0.783	S	S	*	*			trans	56.2	146.1	155.9	-53.9	-165.2	141	0	0	120.4
361	A	38.5	Very low	38.6	Very low	97 Å²	97	135.7 Å²	135.7	80%	0.802	79%	0.794	S	S	*	*			trans	-113	142.4	177.8	0	0	0	0	0	111.2
362	K	32.5	Very low	36.4	Very low	211 Å²	211	133.1 Å²	133.1	92%	0.917	80%	0.795	S	S	*	*			trans	-141.6	152.3	159.3	-73.9	-161.6	176.6	-179.5	0	111.7
363	D	33.3	Very low	34.8	Very low	174 Å²	174	134.3 Å²	134.3	93%	0.93	80%	0.802	S	S	*	*			trans	-71.2	158.9	-173.4	-103.5	-58.5	0	0	0	115.3
364	G	32.8	Very low	33.6	Very low	58 Å²	58	136.2 Å²	136.2	60%	0.598	81%	0.81	S	S	*	*			trans	142.5	112	162.4	0	0	0	0	0	115.3	P366	G364-P366 WeakPolarHBondContact O-CD 3.34Å
365	P	37.8	Very low	32.6	Very low	124 Å²	124	141.3 Å²	141.3	81%	0.805	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-87	123.9	177.9	31.9	-32.6	0	0	0	113.3
366	P	33.6	Very low	31.5	Very low	129 Å²	129	145.1 Å²	145.1	84%	0.838	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-72	151	170.2	-18.5	33.7	0	0	0	112.9	G364	G364-P366 WeakPolarHBondContact O-CD 3.34Å
367	K	31.4	Very low	30.7	Very low	199 Å²	199	141.5 Å²	141.5	87%	0.865	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-87.1	164.4	-170.9	-65.2	172	-179.8	173.1	0	113.3	Q369	K367-Q369 PolarHBondContact O-N 3.24Å
368	K	29	Very low	30.3	Very low	207 Å²	207	142.5 Å²	142.5	90%	0.9	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-50.8	133.5	159.2	-79.4	-178.9	173.7	178.7	0	109.7
369	Q	27.5	Very low	29.8	Very low	178 Å²	178	145.5 Å²	145.5	83%	0.832	82%	0.823	S	S	*	*			trans	-109.4	128.2	162.3	-170.4	168.5	6.8	0	0	109.2	K367	K367-Q369 PolarHBondContact O-N 3.24Å
370	V	26.6	Very low	29.4	Very low	128 Å²	128	148.1 Å²	148.1	78%	0.776	83%	0.825	S	S	*	*			trans	-97.8	133.9	167.1	175.6	0	0	0	0	106.7
371	C	25.8	Very low	29	Very low	117 Å²	117	147.8 Å²	147.8	79%	0.791	82%	0.824	S	S	*	*			trans	-101.4	113.4	163.5	-73.2	0	0	0	0	107.9
372	G	26.8	Very low	28.3	Very low	64 Å²	64	151.6 Å²	151.6	66%	0.66	83%	0.825	S	S	*	*			trans	-86.8	173.3	160.1	0	0	0	0	0	110.6
373	D	26.5	Very low	28	Very low	162 Å²	162	148.3 Å²	148.3	87%	0.866	82%	0.822	S	S	*	*			trans	-64.1	158.4	-179	-60	-74.3	0	0	0	114
374	S	28.5	Very low	27.6	Very low	122 Å²	122	144.5 Å²	144.5	85%	0.853	82%	0.815	S	S	*	*			trans	-149.1	100.9	158	-70.8	0	0	0	0	108.5
375	L	29.5	Very low	27.2	Very low	173 Å²	173	150.7 Å²	150.7	91%	0.906	83%	0.828	S	S	*	*			trans	-60.8	148.9	165.8	-68.1	161.7	0	0	0	109.4
376	K	26.1	Very low	26.5	Very low	191 Å²	191	152.9 Å²	152.9	83%	0.83	83%	0.833	S	S	*	*			trans	-124.7	136.2	154.7	-91.6	-163.1	162.8	-153.4	0	108.9
377	A	24.5	Very low	26.2	Very low	98 Å²	98	154.9 Å²	154.9	81%	0.81	83%	0.831	S	S	*	*			trans	-115.1	145.5	167.5	0	0	0	0	0	108.5
378	E	26.5	Very low	25.8	Very low	166 Å²	166	152.4 Å²	152.4	78%	0.776	83%	0.833	S	S	*	*			trans	-141.2	139.9	164.6	-69.9	171	-174.3	0	0	103.5
379	E	25.6	Very low	25.7	Very low	189 Å²	189	152.7 Å²	152.7	88%	0.883	83%	0.828	S	S	*	*			cis	-157.9	162.3	-21.1	-131.4	171.3	-165	0	0	105.5
380	T	22.9	Very low	25.5	Very low	123 Å²	123	151.7 Å²	151.7	76%	0.755	83%	0.829	S	S	*	*			trans	-113.3	128.1	-173	-44.8	0	0	0	0	111.9	E382	T380-E382 HydrophobicContact CG2-CG 4Å
381	E	24.2	Very low	25.4	Very low	194 Å²	194	153.5 Å²	153.5	91%	0.907	83%	0.834	S	S	*	*			trans	-108.6	115.7	156.9	-72.3	-165	138.5	0	0	109.5
382	E	23.3	Very low	26	Very low	177 Å²	177	152.6 Å²	152.6	83%	0.827	83%	0.826	S	S	*	*			trans	-97.5	144.6	167.5	-65.3	-176	138.2	0	0	109.7	T380	T380-E382 HydrophobicContact CG2-CG 4Å
383	V	25.1	Very low	25.9	Very low	141 Å²	141	157.6 Å²	157.6	86%	0.855	83%	0.832	S	S	*	*			trans	-133.3	102.5	166.3	-177.4	0	0	0	0	110.8
384	A	25.2	Very low	25.8	Very low	95 Å²	95	154.4 Å²	154.4	79%	0.785	82%	0.822	S	S	*	*			trans	54.5	116.6	153.1	0	0	0	0	0	120.1
385	E	24.6	Very low	25.6	Very low	188 Å²	188	155.6 Å²	155.6	88%	0.879	82%	0.819	S	S	*	*			trans	-67	163.4	156.1	-55.1	177.1	118.8	0	0	112.1
386	N	24.3	Very low	25.5	Very low	169 Å²	169	156.4 Å²	156.4	90%	0.904	82%	0.818	S	S	*	*			trans	-154.4	127.5	144.9	-137.7	-18.2	0	0	0	111.1
387	E	26	Very low	25.4	Very low	171 Å²	171	150.8 Å²	150.8	80%	0.799	82%	0.815	S	S	*	*			trans	-80.6	147.8	178.7	-67.5	-166	117.9	0	0	112.6
388	T	24.5	Very low	25.5	Very low	147 Å²	147	154.3 Å²	154.3	90%	0.902	82%	0.82	S	S	*	*			trans	-154.4	146.8	134.4	-25.1	0	0	0	0	112.4
389	R	25.1	Very low	25.5	Very low	213 Å²	213	153.9 Å²	153.9	80%	0.804	82%	0.815	S	S	*	*			trans	-82	150.7	176.6	-59.1	167.6	172.2	165.1	-4.6	112.1
390	N	24.4	Very low	25.6	Very low	158 Å²	158	152.7 Å²	152.7	85%	0.845	82%	0.815	S	S	*	*				168.1	159.4	112.6	-83.5	-29.6	0	0	0	114.5
391	L	24.5	Very low	25.7	Very low	166 Å²	166	152.7 Å²	152.7	87%	0.869	81%	0.81	S	S	*	*			trans	-110.9	179	166.7	-76.8	163	0	0	0	108.5
392	P	38.3	Very low	25.8	Very low	98 Å²	98	152 Å²	152	64%	0.636	81%	0.812	S	S	*	*			cis	-133	-162.4	-7.5	19.2	8.6	0	0	0	113.8
393	H	24.7	Very low	25.9	Very low	169 Å²	169	152 Å²	152	78%	0.782	81%	0.812	S	S	*	*			trans	93.2	102.6	152.7	-71.3	-66.6	0	0	0	122.8
394	S	23.8	Very low	26	Very low	94 Å²	94	154 Å²	154	66%	0.657	81%	0.814	S	S	*	*				81.5	125.8	104.4	-151	0	0	0	0	123.3
395	N	24.8	Very low	26	Very low	147 Å²	147	153.1 Å²	153.1	79%	0.786	81%	0.814	S	S	*	*			trans	91.3	143.2	137.8	-99.1	-11.7	0	0	0	122.8
396	Q	27.3	Very low	26	Very low	190 Å²	190	150.9 Å²	150.9	89%	0.888	81%	0.813	S	S	*	*			trans	64.4	130.9	174.2	-57.4	178.1	12.1	0	0	116
397	G	23.1	Very low	26	Very low	74 Å²	74	149.8 Å²	149.8	76%	0.763	81%	0.813	S	S	*	*			cis	125	117.8	-13.3	0	0	0	0	0	114.1
398	N	26.7	Very low	26	Very low	171 Å²	171	146.4 Å²	146.4	91%	0.914	81%	0.814	S	S	*	*			trans	-156.9	158.2	153.9	-130.7	-17	0	0	0	111.8
399	K	26.9	Very low	25.9	Very low	157 Å²	157	144.4 Å²	144.4	68%	0.683	81%	0.812	S	S	*	*			trans	-91.1	165.7	-179	-61.8	-178.8	170.4	-166.9	0	112.1
400	N	27.5	Very low	25.9	Very low	165 Å²	165	145.7 Å²	145.7	88%	0.882	82%	0.817	S	S	*	*				-162.7	118.6	107.8	-92.9	-15.5	0	0	0	110.8
401	D	25.3	Very low	26.3	Very low	122 Å²	122	142.3 Å²	142.3	65%	0.652	80%	0.804	S	S	*	*			trans	-80.4	153.2	169	-42.8	-78.5	0	0	0	109.8
402	L	26.1	Very low	26.2	Very low	179 Å²	179	142.5 Å²	142.5	94%	0.937	80%	0.8	S	S	*	*				-159.1	144.3	121.1	-130.8	77.7	0	0	0	110.6
403	E	25.5	Very low	25.6	Very low	179 Å²	179	145.3 Å²	145.3	84%	0.836	81%	0.808	S	S	*	*			trans	-138.2	-169.5	-173.4	-150.9	-161.6	-165.4	0	0	109.8
404	M	26.6	Very low	25.6	Very low	182 Å²	182	141.2 Å²	141.2	90%	0.897	80%	0.804	S	S	*	*			trans	80.8	143.9	176.5	-55.3	-156.7	-56.7	0	0	117.1
405	G	25.7	Very low	25.5	Very low	76 Å²	76	144 Å²	144	78%	0.784	81%	0.812	S	S	*	*			cis	-174.9	177	-2	0	0	0	0	0	115.5
406	V	25.3	Very low	25.5	Very low	141 Å²	141	143.9 Å²	143.9	86%	0.855	82%	0.816	S	S	*	*			trans	-112.1	135.4	-176.6	178	0	0	0	0	110
407	T	23.6	Very low	25.2	Very low	146 Å²	146	139.4 Å²	139.4	90%	0.896	81%	0.812	S	S	*	*			trans	-135.7	154.9	161.4	50.4	0	0	0	0	109.6
408	A	26.2	Very low	25.3	Very low	100 Å²	100	142.7 Å²	142.7	83%	0.826	82%	0.817	S	S	*	*			trans	-133.5	143	-174.9	0	0	0	0	0	111.3
409	A	22.2	Very low	25.3	Very low	105 Å²	105	139.8 Å²	139.8	87%	0.868	81%	0.81	S	S	*	*			trans	-156.6	151.2	173.5	0	0	0	0	0	112.7
410	R	24.9	Very low	25.2	Very low	241 Å²	241	141.1 Å²	141.1	91%	0.909	82%	0.819	S	S	*	*			trans	-158.2	167	168	-113.8	-163.1	164.8	-166.6	-4.7	106.4
411	P	33.8	Very low	25.3	Very low	86 Å²	86	139.5 Å²	139.5	56%	0.558	81%	0.814	S	S	*	*			cis	-138.1	-173.6	21.5	42.3	-23.4	0	0	0	117
412	E	23	Very low	25.4	Very low	171 Å²	171	139.4 Å²	139.4	80%	0.799	82%	0.821	S	S	*	*			trans	64.6	164.9	152.5	-83	134.6	-119.4	0	0	119.8
413	I	25.4	Very low	25.3	Very low	156 Å²	156	134.2 Å²	134.2	80%	0.8	81%	0.81	S	S	*	*			cis	-135.4	151.8	2.5	-41.1	158.7	0	0	0	110.8
414	A	23.3	Very low	25.5	Very low	84 Å²	84	131.3 Å²	131.3	69%	0.694	81%	0.81	S	S	*	*			trans	59.3	124.1	154.5	0	0	0	0	0	125.1
415	D	22	Very low	25.5	Very low	153 Å²	153	131.6 Å²	131.6	82%	0.818	81%	0.809	S	S	*	*				24.5	131.6	129.7	-53.7	-18.6	0	0	0	123.4
416	T	24.3	Very low	25.5	Very low	143 Å²	143	132.1 Å²	132.1	88%	0.877	81%	0.806	S	S	*	*				-154.1	141.1	115.7	-65.2	0	0	0	0	108.9
417	A	22.6	Very low	25.4	Very low	96 Å²	96	130.9 Å²	130.9	79%	0.793	80%	0.804	S	S	*	*			trans	-98.2	141.5	178.7	0	0	0	0	0	112.7
418	T	24.9	Very low	25.8	Very low	144 Å²	144	129.1 Å²	129.1	88%	0.883	80%	0.797	S	S	*	*			trans	-129.5	147.7	160.4	38.3	0	0	0	0	109.6
419	S	25.9	Very low	25.7	Very low	109 Å²	109	131.4 Å²	131.4	76%	0.762	80%	0.795	S	S	*	*			trans	-112.4	118.3	-169.4	-176.6	0	0	0	0	110.9
420	E	25.5	Very low	26.1	Very low	186 Å²	186	132.1 Å²	132.1	87%	0.869	79%	0.791	S	S	*	*			trans	-132.5	137.2	165.1	-68.3	-164.1	161.3	0	0	109.9
421	V	28.7	Very low	26.3	Very low	130 Å²	130	126.1 Å²	126.1	79%	0.788	78%	0.781	S	S	*	*			trans	-112.5	108.1	-177.4	175.6	0	0	0	0	109.2	G423	V421-G423 PolarHBondContact O-N 3.31Å
422	P	27	Very low	26.2	Very low	121 Å²	121	128 Å²	128	79%	0.786	79%	0.793	S	S	*	*			trans	-72.3	122.6	168.4	-15	30.8	0	0	0	109.8
423	G	25.2	Very low	26.9	Very low	69 Å²	69	121.5 Å²	121.5	71%	0.711	77%	0.772	S	S	*	*			trans	-67.8	148.8	-176.3	0	0	0	0	0	113.9	V421 Q425	V421-G423 PolarHBondContact O-N 3.31Å; G423-Q425 PolarHBondContact O-N 2.97Å
424	S	29.9	Very low	28.1	Very low	119 Å²	119	118.5 Å²	118.5	83%	0.832	76%	0.758	S	S	*	*			trans	-62.4	113.4	173.5	178.6	0	0	0	0	111.7
425	Q	26.2	Very low	29.4	Very low	188 Å²	188	114.9 Å²	114.9	88%	0.879	73%	0.729	S	S	*	*			trans	-135.3	88	154.1	-71.3	-162.5	2.1	0	0	109.3	G423 S427	G423-Q425 PolarHBondContact O-N 2.97Å; Q425-S427 PolarHBondContact O-N 2.83Å
426	A	25.4	Very low	31.2	Very low	87 Å²	87	108.5 Å²	108.5	72%	0.719	70%	0.695	S	S	*	*			trans	-67.3	117.7	168	0	0	0	0	0	109.2	S428	A426-S428 VanDerWaalsContact C-N 3.31Å; A426-S428 PolarHBondContact O-N 3.05Å
427	S	23.4	Very low	33.3	Very low	115 Å²	115	104.5 Å²	104.5	80%	0.804	67%	0.666	S	S	*	*			trans	-73.1	82.2	178.8	41.4	0	0	0	0	111.1	Q425 N429	Q425-S427 PolarHBondContact O-N 2.83Å; S427-N429 VanDerWaalsContact C-N 3.27Å; S427-N429 PolarHBondContact O-N 2.96Å
428	S	30.9	Very low	36.5	Very low	109 Å²	109	101.7 Å²	101.7	76%	0.762	64%	0.635	S	S	*	*			trans	-72.9	71.2	-177.1	61.6	0	0	0	0	113.2	A426	A426-S428 VanDerWaalsContact C-N 3.31Å; A426-S428 PolarHBondContact O-N 3.05Å
429	N	24.9	Very low	39.8	Very low	148 Å²	148	94.8 Å²	94.8	79%	0.791	59%	0.593	S	S	*	*			trans	-123.7	94	167.8	-83.2	-35.2	0	0	0	109.5	S427 V431	S427-N429 VanDerWaalsContact C-N 3.27Å; S427-N429 PolarHBondContact O-N 2.96Å; N429-V431 PolarHBondContact O-N 3.24Å
430	P	31.8	Very low	43.2	Very low	119 Å²	119	89.6 Å²	89.6	77%	0.773	56%	0.556	S	S	*	*			trans	-60.4	131.6	165.9	-16.9	30.7	0	0	0	109.3	P432	P430-P432 WeakPolarHBondContact O-CD 3.45Å
431	V	29.2	Very low	46.6	Very low	115 Å²	115	80.9 Å²	80.9	70%	0.697	52%	0.515	S	S	*	.			trans	-68.2	124.3	166.3	177	0	0	0	0	107	N429 G433	N429-V431 PolarHBondContact O-N 3.24Å; V431-G433 VanDerWaalsContact C-N 3.32Å; V431-G433 PolarHBondContact O-N 2.78Å
432	P	31.2	Very low	49.8	Very low	126 Å²	126	75.1 Å²	75.1	82%	0.818	48%	0.48	S	S	*	.			trans	-77.6	84.2	-177.7	31.3	-34.8	0	0	0	110.5	P430	P430-P432 WeakPolarHBondContact O-CD 3.45Å
433	G	37.8	Very low	53.2	Low	35 Å²	35	69.3 Å²	69.3	36%	0.361	44%	0.443	S	S	.	.			trans	-70.2	159.1	149.7	0	0	0	0	0	110.3	Q143 V431 G435	Q143-G433 WeakPolarHBondContact O-CA 3.47Å; V431-G433 VanDerWaalsContact C-N 3.32Å; V431-G433 PolarHBondContact O-N 2.78Å; G433-G435 PolarHBondContact O-N 2.78Å
434	D	50.2	Low	56.7	Low	92 Å²	92	66 Å²	66	49%	0.492	41%	0.409	S	S	.	.			trans	-53.3	-27.3	161	43.9	69.2	0	0	0	112.4	H144 L436	H144-D434 IonicContact CD2-OD1 3.38Å; D434-L436 HydrophobicContact CB-CB 4.36Å; D434-L436 PolarHBondContact O-N 2.98Å; D434-L436 WeakPolarHBondContact OD1-CB 3.34Å; D434-L436 PolarHBondContact OD1-N 2.97Å
435	G	51.3	Low	59.9	Low	9 Å²	9	60.4 Å²	60.4	9%	0.093	37%	0.369	C	S	.	.			trans	68.4	17.3	-178.1	0	0	0	0	0	113.2	H144 R284 G433	H144-G435 WeakPolarHBondContact O-CA 3.39Å; R284-G435 PolarHBondContact NH1-O 3.34Å; G433-G435 PolarHBondContact O-N 2.78Å
436	L	58.8	Low	63.3	Low	18 Å²	18	51.5 Å²	51.5	9%	0.094	33%	0.328	C	S	.	.			trans	-71	-34.7	-166.1	-161.8	72.5	0	0	0	112.3	E245 D434 R438 F441 M445	E245-L436 HydrophobicContact CB-CD2 4.43Å; E245-L436 HydrophobicContact CG-CD2 3.67Å; E245-L436 VanDerWaalsContact OE1-CD2 3.23Å; E245-L436 WeakPolarHBondContact OE1-CD2 3.44Å; D434-L436 HydrophobicContact CB-CB 4.36Å; D434-L436 PolarHBondContact O-N 2.98Å; D434-L436 WeakPolarHBondContact OD1-CB 3.34Å; D434-L436 PolarHBondContact OD1-N 2.97Å; L436-R438 PolarHBondContact O-N 2.85Å; L436-F441 HydrophobicContact CD1-CD1 4.09Å; L436-F441 HydrophobicContact CD1-CE1 3.57Å; L436-F441 HydrophobicContact CD1-CZ 4.43Å; L436-F441 HydrophobicContact CG-CD1 4.4Å; L436-F441 HydrophobicContact CG-CE1 4.2Å; L436-M445 HydrophobicContact CG-CE 4.41Å
437	H	69.1	Low	66.8	Low	59 Å²	59	47.3 Å²	47.3	27%	0.273	29%	0.293	S	S	.	.			trans	-76.6	99.8	174.9	-60.4	-42.8	0	0	0	110.7	F140 H144 D442	F140-H437 AromaticContact CZ-CD2 3.56Å; H144-H437 HydrophobicContact CB-CB 3.94Å; H144-H437 AromaticContact CD2-CD2 3.63Å; H144-H437 AromaticContact CG-CD2 3.88Å; H144-H437 AromaticContact NE2-CD2 3.85Å; H437-D442 VanDerWaalsContact CA-OD2 3.31Å; H437-D442 WeakPolarHBondContact CA-OD2 3.21Å; H437-D442 IonicContact ND1-OD1 3.2Å; H437-D442 PolarHBondContact ND1-OD1 3.11Å
438	R	89.6	Confident	70.3	Confident	37 Å²	37	42.6 Å²	42.6	14%	0.14	26%	0.258	C	S	.	.			trans	-146.5	114.4	167.3	-69.6	-164.1	68.5	-165.4	-1.2	105.9	D38 E66 N122 D282 L436 G440 F441 D442	D38-R438 VanDerWaalsContact CG-NH2 3.32Å; D38-R438 IonicContact OD1-CZ 2.81Å; D38-R438 IonicContact OD1-NH1 2.97Å; D38-R438 IonicContact OD1-NH2 2.67Å; D38-R438 PolarHBondContact OD1-NH2 3.17Å; D38-R438 IonicContact OD2-CZ 2.7Å; D38-R438 IonicContact OD2-NH1 2.8Å; D38-R438 PolarHBondContact OD2-NH1 2.67Å; D38-R438 IonicContact OD2-NH2 3.27Å; D38-R438 PolarHBondContact OD2-NH2 2.83Å; D38-R438 VanDerWaalsContact OD2-NH2 3.16Å; E66-R438 VanDerWaalsContact OE1-CA 3.29Å; E66-R438 WeakPolarHBondContact OE1-CA 3.46Å; N122-R438 PolarHBondContact ND2-NH2 3.07Å; D282-R438 IonicContact OD2-CZ 3.16Å; D282-R438 IonicContact OD2-NH1 3.99Å; D282-R438 PolarHBondContact OD2-NH1 2.85Å; L436-R438 PolarHBondContact O-N 2.85Å; R438-G440 CarbonylContact O-C 3.58Å; R438-G440 PolarHBondContact O-N 3.48Å; R438-F441 WeakPolarHBondContact O-CA 3.46Å; R438-F441 PolarHBondContact O-N 2.89Å; R438-D442 PolarHBondContact N-OD2 3.3Å; R438-D442 PolarHBondContact O-N 2.9Å; R438-D442 VanDerWaalsContact O-N 3.1Å
439	A	94.7	Very high	73.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-33.9	-44.1	-179.3	0	0	0	0	0	116.4	E66 G101 F441 D442 A443	E66-A439 HydrophobicContact CG-CB 3.98Å; E66-A439 PolarHBondContact OE1-N 3.46Å; G101-A439 VanDerWaalsContact CA-C 3.43Å; G101-A439 WeakPolarHBondContact CA-O 3.3Å; A439-F441 PolarHBondContact O-N 3.04Å; A439-D442 PolarHBondContact O-N 2.82Å; A439-A443 WeakPolarHBondContact O-CB 3.5Å; A439-A443 PolarHBondContact O-N 3.34Å
440	G	96.7	Very high	76.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.6	-44.2	174.1	0	0	0	0	0	114.7	V120 N122 R438 F444	V120-G440 WeakPolarHBondContact CG1-O 2.91Å; N122-G440 PolarHBondContact OD1-N 3.2Å; R438-G440 CarbonylContact O-C 3.58Å; R438-G440 PolarHBondContact O-N 3.48Å; G440-F444 PolarHBondContact O-N 3.18Å; G440-F444 VanDerWaalsContact O-N 3.14Å
441	F	95.8	Very high	79.8	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.009	15%	0.147	C	C	.	.	H	α-helix	trans	-76.2	-37.3	176.7	-168.1	-102.8	0	0	0	112.5	V34 V36 R284 L436 R438 A439 A443 F444 M445	V34-F441 HydrophobicContact CB-CD2 4.33Å; V34-F441 HydrophobicContact CB-CE2 3.98Å; V34-F441 HydrophobicContact CG1-CD2 4.37Å; V34-F441 HydrophobicContact CG1-CE2 4.4Å; V34-F441 HydrophobicContact CG2-CE2 3.91Å; V36-F441 HydrophobicContact CG2-CB 4.34Å; V36-F441 HydrophobicContact CG2-CD2 4.3Å; R284-F441 HydrophobicContact CB-CD2 3.55Å; R284-F441 HydrophobicContact CB-CE2 3.58Å; R284-F441 HydrophobicContact CB-CG 4.33Å; R284-F441 HydrophobicContact CB-CZ 4.39Å; R284-F441 HydrophobicContact CG-CD2 3.92Å; R284-F441 HydrophobicContact CG-CE2 4.42Å; R284-F441 HydrophobicContact CG-CG 4.31Å; L436-F441 HydrophobicContact CD1-CD1 4.09Å; L436-F441 HydrophobicContact CD1-CE1 3.57Å; L436-F441 HydrophobicContact CD1-CZ 4.43Å; L436-F441 HydrophobicContact CG-CD1 4.4Å; L436-F441 HydrophobicContact CG-CE1 4.2Å; R438-F441 WeakPolarHBondContact O-CA 3.46Å; R438-F441 PolarHBondContact O-N 2.89Å; A439-F441 PolarHBondContact O-N 3.04Å; F441-A443 VanDerWaalsContact C-N 3.34Å; F441-A443 PolarHBondContact O-N 3.4Å; F441-F444 HydrophobicContact CD2-CD1 4.34Å; F441-F444 HydrophobicContact CE2-CD1 4.08Å; F441-F444 CarbonylContact O-C 3.57Å; F441-F444 WeakPolarHBondContact O-CA 3.09Å; F441-F444 WeakPolarHBondContact O-CB 3.3Å; F441-F444 PolarHBondContact O-N 3.22Å; F441-F444 VanDerWaalsContact O-N 3.08Å; F441-M445 HydrophobicContact CD1-CE 3.86Å; F441-M445 HydrophobicContact CD1-CG 4.09Å; F441-M445 HydrophobicContact CD1-SD 4.12Å; F441-M445 HydrophobicContact CE1-CE 4.03Å; F441-M445 HydrophobicContact CE1-CG 3.77Å; F441-M445 HydrophobicContact CE1-SD 3.68Å; F441-M445 HydrophobicContact CZ-CG 4.31Å; F441-M445 WeakPolarHBondContact O-CG 3.43Å; F441-M445 PolarHBondContact O-N 3.07Å
442	D	96.8	Very high	83	Confident	9 Å²	9	19.5 Å²	19.5	5%	0.048	12%	0.115	C	C	.	.	H	α-helix	trans	-65.4	-36.4	173.4	-64.2	-87.7	0	0	0	112	D64 L244 H437 R438 A439 F444 M445 T446	D64-D442 HydrophobicContact CB-CB 4.21Å; L244-D442 HydrophobicContact CD2-CB 3.69Å; H437-D442 VanDerWaalsContact CA-OD2 3.31Å; H437-D442 WeakPolarHBondContact CA-OD2 3.21Å; H437-D442 IonicContact ND1-OD1 3.2Å; H437-D442 PolarHBondContact ND1-OD1 3.11Å; R438-D442 PolarHBondContact N-OD2 3.3Å; R438-D442 PolarHBondContact O-N 2.9Å; R438-D442 VanDerWaalsContact O-N 3.1Å; A439-D442 PolarHBondContact O-N 2.82Å; D442-F444 VanDerWaalsContact C-N 3.34Å; D442-F444 PolarHBondContact O-N 3.31Å; D442-M445 HydrophobicContact CB-CE 4.33Å; D442-M445 PolarHBondContact O-N 3.39Å; D442-M445 WeakPolarHBondContact OD1-CE 3.23Å; D442-T446 VanDerWaalsContact O-CB 3.24Å; D442-T446 WeakPolarHBondContact O-CB 3.45Å; D442-T446 PolarHBondContact O-N 2.91Å; D442-T446 PolarHBondContact O-OG1 3.49Å
443	A	98.4	Very high	85.8	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.1	-37.5	168.6	0	0	0	0	0	112	A62 D64 A103 A439 F441 G447	A62-A443 WeakPolarHBondContact CB-O 3.45Å; D64-A443 HydrophobicContact CB-CB 4Å; A103-A443 HydrophobicContact CB-CB 4.1Å; A103-A443 WeakPolarHBondContact CB-O 3.44Å; A439-A443 WeakPolarHBondContact O-CB 3.5Å; A439-A443 PolarHBondContact O-N 3.34Å; F441-A443 VanDerWaalsContact C-N 3.34Å; F441-A443 PolarHBondContact O-N 3.4Å; A443-G447 PolarHBondContact O-N 2.91Å
444	F	98.1	Very high	88.1	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.5	-48.3	172.6	168.3	-93	0	0	0	112.1	V34 A103 F105 A118 V120 F248 L268 F270 G440 F441 D442 T446 G447 Y448	V34-F444 HydrophobicContact CG1-CB 4.49Å; V34-F444 HydrophobicContact CG1-CD1 4.07Å; V34-F444 HydrophobicContact CG1-CD2 3.9Å; V34-F444 HydrophobicContact CG1-CE1 4.32Å; V34-F444 HydrophobicContact CG1-CE2 4.13Å; V34-F444 HydrophobicContact CG1-CG 3.87Å; V34-F444 HydrophobicContact CG1-CZ 4.34Å; V34-F444 HydrophobicContact CG2-CD1 3.97Å; V34-F444 HydrophobicContact CG2-CE1 3.49Å; V34-F444 VanDerWaalsContact CG2-CE1 3.49Å; V34-F444 HydrophobicContact CG2-CE2 4.2Å; V34-F444 HydrophobicContact CG2-CZ 3.61Å; A103-F444 HydrophobicContact CB-CB 4.27Å; F105-F444 HydrophobicContact CE1-CE2 4.48Å; F105-F444 AromaticContact CZ-CD2 3.85Å; F105-F444 HydrophobicContact CZ-CD2 3.85Å; F105-F444 HydrophobicContact CZ-CE2 4.06Å; A118-F444 HydrophobicContact CB-CE2 4.28Å; V120-F444 HydrophobicContact CG1-CB 4.02Å; V120-F444 HydrophobicContact CG2-CB 3.96Å; V120-F444 HydrophobicContact CG2-CD2 3.73Å; V120-F444 HydrophobicContact CG2-CG 4.19Å; F248-F444 HydrophobicContact CE2-CD1 4.44Å; F248-F444 AromaticContact CE2-CE1 3.86Å; F248-F444 HydrophobicContact CE2-CE1 3.86Å; F248-F444 HydrophobicContact CZ-CE1 4Å; L268-F444 HydrophobicContact CD1-CE2 3.78Å; L268-F444 HydrophobicContact CD1-CZ 3.72Å; F270-F444 HydrophobicContact CE1-CD2 4.39Å; F270-F444 AromaticContact CE1-CE2 3.76Å; F270-F444 HydrophobicContact CE1-CE2 3.76Å; F270-F444 HydrophobicContact CE1-CZ 4.41Å; F270-F444 AromaticContact CZ-CE2 3.87Å; F270-F444 HydrophobicContact CZ-CE2 3.87Å; F270-F444 HydrophobicContact CZ-CZ 4.09Å; G440-F444 PolarHBondContact O-N 3.18Å; G440-F444 VanDerWaalsContact O-N 3.14Å; F441-F444 HydrophobicContact CD2-CD1 4.34Å; F441-F444 HydrophobicContact CE2-CD1 4.08Å; F441-F444 CarbonylContact O-C 3.57Å; F441-F444 WeakPolarHBondContact O-CA 3.09Å; F441-F444 WeakPolarHBondContact O-CB 3.3Å; F441-F444 PolarHBondContact O-N 3.22Å; F441-F444 VanDerWaalsContact O-N 3.08Å; D442-F444 VanDerWaalsContact C-N 3.34Å; D442-F444 PolarHBondContact O-N 3.31Å; F444-T446 VanDerWaalsContact C-N 3.26Å; F444-T446 PolarHBondContact O-N 2.66Å; F444-G447 PolarHBondContact O-N 3.41Å; F444-G447 VanDerWaalsContact O-N 3.14Å; F444-Y448 HydrophobicContact CE1-CD2 4.31Å; F444-Y448 AromaticContact CZ-CD2 3.97Å; F444-Y448 HydrophobicContact CZ-CD2 3.97Å; F444-Y448 PolarHBondContact O-N 3.03Å
445	M	97.3	Very high	89.9	Confident	1 Å²	1	9.2 Å²	9.2	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-57.4	-43.1	176.4	-71.8	-165.4	-72.3	0	0	110.9	L244 F248 L436 F441 D442 Y448 V449	L244-M445 HydrophobicContact CD1-CB 3.98Å; L244-M445 HydrophobicContact CD2-CB 4.26Å; L244-M445 HydrophobicContact CD2-CE 4.07Å; L244-M445 HydrophobicContact CG-CB 4.06Å; L244-M445 HydrophobicContact CG-CE 4.23Å; F248-M445 HydrophobicContact CB-CB 4Å; F248-M445 HydrophobicContact CB-CG 4.14Å; F248-M445 HydrophobicContact CB-SD 4.08Å; F248-M445 HydrophobicContact CD1-CB 4.47Å; F248-M445 HydrophobicContact CD1-CG 3.72Å; F248-M445 HydrophobicContact CD1-SD 3.56Å; F248-M445 VanDerWaalsContact CD1-SD 3.56Å; F248-M445 HydrophobicContact CD2-CB 3.82Å; F248-M445 HydrophobicContact CD2-CG 3.75Å; F248-M445 HydrophobicContact CE1-CG 4.02Å; F248-M445 HydrophobicContact CE1-SD 4.14Å; F248-M445 HydrophobicContact CE2-CB 4.43Å; F248-M445 HydrophobicContact CE2-CG 4.04Å; F248-M445 HydrophobicContact CG-CB 3.83Å; F248-M445 HydrophobicContact CG-CG 3.58Å; F248-M445 HydrophobicContact CG-SD 3.82Å; F248-M445 HydrophobicContact CZ-CG 4.17Å; L436-M445 HydrophobicContact CG-CE 4.41Å; F441-M445 HydrophobicContact CD1-CE 3.86Å; F441-M445 HydrophobicContact CD1-CG 4.09Å; F441-M445 HydrophobicContact CD1-SD 4.12Å; F441-M445 HydrophobicContact CE1-CE 4.03Å; F441-M445 HydrophobicContact CE1-CG 3.77Å; F441-M445 HydrophobicContact CE1-SD 3.68Å; F441-M445 HydrophobicContact CZ-CG 4.31Å; F441-M445 WeakPolarHBondContact O-CG 3.43Å; F441-M445 PolarHBondContact O-N 3.07Å; D442-M445 HydrophobicContact CB-CE 4.33Å; D442-M445 PolarHBondContact O-N 3.39Å; D442-M445 WeakPolarHBondContact OD1-CE 3.23Å; M445-Y448 PolarHBondContact O-N 3.5Å; M445-V449 WeakPolarHBondContact O-CG2 3.29Å; M445-V449 PolarHBondContact O-N 2.68Å
446	T	98.3	Very high	91.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58	-50.7	174.2	-68.2	0	0	0	0	111.1	A62 V188 L189 H190 T229 L244 D442 F444 Y448 V449 M450	A62-T446 HydrophobicContact CB-CG2 4.07Å; V188-T446 HydrophobicContact CG1-CG2 3.86Å; L189-T446 VanDerWaalsContact C-CG2 3.48Å; H190-T446 HydrophobicContact CB-CG2 4.46Å; T229-T446 HydrophobicContact CG2-CG2 3.88Å; T229-T446 WeakPolarHBondContact CG2-O 3.03Å; L244-T446 WeakPolarHBondContact CD1-OG1 3.37Å; D442-T446 VanDerWaalsContact O-CB 3.24Å; D442-T446 WeakPolarHBondContact O-CB 3.45Å; D442-T446 PolarHBondContact O-N 2.91Å; D442-T446 PolarHBondContact O-OG1 3.49Å; F444-T446 VanDerWaalsContact C-N 3.26Å; F444-T446 PolarHBondContact O-N 2.66Å; T446-Y448 VanDerWaalsContact C-N 3.35Å; T446-Y448 PolarHBondContact O-N 3.49Å; T446-V449 PolarHBondContact O-N 3.22Å; T446-M450 PolarHBondContact O-N 3.09Å; T446-M450 VanDerWaalsContact O-N 3.15Å
447	G	98	Very high	92.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.4	-36	178.1	0	0	0	0	0	114	F60 A443 F444 M450 A451	F60-G447 WeakPolarHBondContact CZ-O 3.2Å; A443-G447 PolarHBondContact O-N 2.91Å; F444-G447 PolarHBondContact O-N 3.41Å; F444-G447 VanDerWaalsContact O-N 3.14Å; G447-M450 PolarHBondContact O-N 3.46Å; G447-A451 WeakPolarHBondContact O-CB 3.44Å; G447-A451 PolarHBondContact O-N 3.22Å
448	Y	97.4	Very high	91.9	Very high	15 Å²	15	12 Å²	12	6%	0.059	7%	0.069	C	C	.	.	H	α-helix	trans	-62.6	-49.1	174	-170.2	-66.2	0	0	0	111.4	F248 C251 E252 N255 L266 L268 F444 M445 T446 M450 A451 Y452	F248-Y448 HydrophobicContact CD2-CD1 4.09Å; F248-Y448 HydrophobicContact CD2-CD2 4.46Å; F248-Y448 AromaticContact CD2-CG 3.9Å; F248-Y448 HydrophobicContact CD2-CG 3.9Å; F248-Y448 HydrophobicContact CE2-CD1 4.09Å; F248-Y448 AromaticContact CE2-CD2 3.7Å; F248-Y448 HydrophobicContact CE2-CD2 3.7Å; F248-Y448 HydrophobicContact CE2-CE2 4.29Å; F248-Y448 AromaticContact CE2-CG 3.59Å; F248-Y448 HydrophobicContact CE2-CG 3.59Å; C251-Y448 HydrophobicContact CB-CD1 4.03Å; C251-Y448 HydrophobicContact CB-CE1 3.92Å; E252-Y448 HydrophobicContact CG-CE1 4.07Å; E252-Y448 HydrophobicContact CG-CE2 4.27Å; N255-Y448 PolarHBondContact ND2-OH 3.47Å; L266-Y448 HydrophobicContact CD2-CD1 4.02Å; L266-Y448 HydrophobicContact CD2-CD2 4.19Å; L266-Y448 HydrophobicContact CD2-CE1 3.91Å; L266-Y448 HydrophobicContact CD2-CE2 4.13Å; L266-Y448 HydrophobicContact CD2-CG 4.13Å; L268-Y448 HydrophobicContact CD1-CD2 3.49Å; L268-Y448 VanDerWaalsContact CD1-CD2 3.49Å; L268-Y448 HydrophobicContact CD1-CE2 3.75Å; F444-Y448 HydrophobicContact CE1-CD2 4.31Å; F444-Y448 AromaticContact CZ-CD2 3.97Å; F444-Y448 HydrophobicContact CZ-CD2 3.97Å; F444-Y448 PolarHBondContact O-N 3.03Å; M445-Y448 PolarHBondContact O-N 3.5Å; T446-Y448 VanDerWaalsContact C-N 3.35Å; T446-Y448 PolarHBondContact O-N 3.49Å; Y448-M450 VanDerWaalsContact C-N 3.27Å; Y448-M450 PolarHBondContact O-N 2.99Å; Y448-A451 PolarHBondContact O-N 3.01Å; Y448-Y452 WeakPolarHBondContact O-CB 3.46Å; Y448-Y452 PolarHBondContact O-N 3.38Å
449	V	97.2	Very high	90.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-56.5	-45	178.7	169.9	0	0	0	0	110.2	T229 A247 F248 M445 T446 Y452 V453	T229-V449 HydrophobicContact CG2-CB 4.39Å; T229-V449 HydrophobicContact CG2-CG1 4.27Å; A247-V449 HydrophobicContact CB-CG1 4.39Å; A247-V449 HydrophobicContact CB-CG2 4.02Å; F248-V449 HydrophobicContact CB-CG2 4.11Å; M445-V449 WeakPolarHBondContact O-CG2 3.29Å; M445-V449 PolarHBondContact O-N 2.68Å; T446-V449 PolarHBondContact O-N 3.22Å; V449-Y452 PolarHBondContact O-N 3.3Å; V449-V453 HydrophobicContact CG1-CG2 4.49Å; V449-V453 WeakPolarHBondContact O-CB 3.36Å; V449-V453 VanDerWaalsContact O-CG2 3.26Å; V449-V453 WeakPolarHBondContact O-CG2 3.43Å; V449-V453 PolarHBondContact O-N 3.18Å
450	M	95.7	Very high	88.4	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-64.4	-46.1	178	-170.1	67.7	-171.6	0	0	112.7	V188 Y227 T229 T446 G447 Y448 Y452 V453 E454 W467 L468	V188-M450 HydrophobicContact CG1-CB 3.7Å; V188-M450 HydrophobicContact CG1-CG 3.83Å; V188-M450 HydrophobicContact CG1-SD 4.37Å; V188-M450 HydrophobicContact CG2-CG 4.04Å; Y227-M450 HydrophobicContact CD1-CE 3.41Å; Y227-M450 VanDerWaalsContact CD1-CE 3.41Å; Y227-M450 HydrophobicContact CD2-CE 4.38Å; Y227-M450 HydrophobicContact CE1-CE 4.03Å; Y227-M450 HydrophobicContact CG-CE 3.6Å; T229-M450 HydrophobicContact CG2-CB 3.96Å; T446-M450 PolarHBondContact O-N 3.09Å; T446-M450 VanDerWaalsContact O-N 3.15Å; G447-M450 PolarHBondContact O-N 3.46Å; Y448-M450 VanDerWaalsContact C-N 3.27Å; Y448-M450 PolarHBondContact O-N 2.99Å; M450-Y452 VanDerWaalsContact C-N 3.35Å; M450-Y452 PolarHBondContact O-N 3.04Å; M450-V453 PolarHBondContact O-N 2.89Å; M450-E454 PolarHBondContact O-N 3.12Å; M450-W467 HydrophobicContact CB-CH2 4.42Å; M450-W467 HydrophobicContact CE-CD2 4.17Å; M450-W467 HydrophobicContact CE-CE3 3.48Å; M450-W467 VanDerWaalsContact CE-CE3 3.48Å; M450-W467 HydrophobicContact CE-CH2 4.15Å; M450-W467 HydrophobicContact CE-CZ3 3.48Å; M450-W467 VanDerWaalsContact CE-CZ3 3.48Å; M450-W467 HydrophobicContact CG-CE3 4.37Å; M450-W467 HydrophobicContact CG-CH2 3.53Å; M450-W467 HydrophobicContact CG-CZ3 3.41Å; M450-W467 VanDerWaalsContact CG-CZ3 3.41Å; M450-W467 HydrophobicContact SD-CZ3 4.37Å; M450-L468 HydrophobicContact CE-CB 4.35Å; M450-L468 HydrophobicContact CE-CD1 3.48Å; M450-L468 VanDerWaalsContact CE-CD1 3.48Å; M450-L468 HydrophobicContact CE-CG 3.67Å; M450-L468 HydrophobicContact SD-CD1 4.03Å
451	A	95	Very high	85.9	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.4	-36.9	177.8	0	0	0	0	0	112.6	F60 Y116 L266 G447 Y448 E454 V455	F60-A451 HydrophobicContact CE1-CB 4.28Å; F60-A451 HydrophobicContact CZ-CB 4.05Å; Y116-A451 HydrophobicContact CE2-CB 4.45Å; L266-A451 HydrophobicContact CD1-CB 3.83Å; L266-A451 HydrophobicContact CD2-CB 3.93Å; G447-A451 WeakPolarHBondContact O-CB 3.44Å; G447-A451 PolarHBondContact O-N 3.22Å; Y448-A451 PolarHBondContact O-N 3.01Å; A451-E454 WeakPolarHBondContact O-CB 3.2Å; A451-V455 WeakPolarHBondContact O-CG2 3.41Å; A451-V455 PolarHBondContact O-N 3.02Å
452	Y	94.8	Very high	83.7	Confident	6 Å²	6	32.2 Å²	32.2	2%	0.024	20%	0.199	C	C	.	.	H	α-helix	trans	-70.1	-39.6	175.1	173.4	-94.6	0	0	0	112.2	C251 E254 N255 Q258 Y448 V449 M450 E454 V455 S456	C251-Y452 HydrophobicContact CB-CD1 3.6Å; C251-Y452 HydrophobicContact CB-CE1 4.28Å; C251-Y452 HydrophobicContact CB-CG 3.74Å; C251-Y452 WeakPolarHBondContact SG-CD1 3.43Å; E254-Y452 HydrophobicContact CB-CE1 4.41Å; E254-Y452 HydrophobicContact CB-CE2 4.27Å; E254-Y452 WeakPolarHBondContact CB-OH 3.26Å; E254-Y452 PolarHBondContact OE2-OH 3.16Å; N255-Y452 HydrophobicContact CB-CD2 3.83Å; N255-Y452 HydrophobicContact CB-CE2 3.91Å; Q258-Y452 PolarHBondContact NE2-OH 3.44Å; Y448-Y452 WeakPolarHBondContact O-CB 3.46Å; Y448-Y452 PolarHBondContact O-N 3.38Å; V449-Y452 PolarHBondContact O-N 3.3Å; M450-Y452 VanDerWaalsContact C-N 3.35Å; M450-Y452 PolarHBondContact O-N 3.04Å; Y452-E454 PolarHBondContact O-N 3.45Å; Y452-V455 PolarHBondContact O-N 2.98Å; Y452-V455 VanDerWaalsContact O-N 3.08Å; Y452-S456 PolarHBondContact O-N 3.05Å
453	V	91.3	Very high	81.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-35.1	177	169.5	0	0	0	0	111.2	V449 M450 S456 L468	V449-V453 HydrophobicContact CG1-CG2 4.49Å; V449-V453 WeakPolarHBondContact O-CB 3.36Å; V449-V453 VanDerWaalsContact O-CG2 3.26Å; V449-V453 WeakPolarHBondContact O-CG2 3.43Å; V449-V453 PolarHBondContact O-N 3.18Å; M450-V453 PolarHBondContact O-N 2.89Å; V453-S456 PolarHBondContact O-N 2.79Å; V453-S456 PolarHBondContact O-OG 3.06Å; V453-L468 HydrophobicContact CG1-CD1 3.73Å
454	E	86.6	Confident	79.3	Confident	29 Å²	29	42.8 Å²	42.8	14%	0.136	27%	0.274	C	S	.	.	H	α-helix	trans	-55	-56.5	167.5	169	-179.9	-132.5	0	0	112	R107 Y116 M450 A451 Y452 S456 Q457 W467	R107-E454 IonicContact CZ-OE1 3.58Å; R107-E454 IonicContact CZ-OE2 3.67Å; R107-E454 IonicContact NH1-OE1 2.69Å; R107-E454 IonicContact NH2-OE1 2.79Å; R107-E454 PolarHBondContact NH2-OE1 3.46Å; R107-E454 IonicContact NH2-OE2 3.16Å; R107-E454 PolarHBondContact NH2-OE2 3.33Å; Y116-E454 PolarHBondContact OH-OE2 2.94Å; M450-E454 PolarHBondContact O-N 3.12Å; A451-E454 WeakPolarHBondContact O-CB 3.2Å; Y452-E454 PolarHBondContact O-N 3.45Å; E454-S456 PolarHBondContact O-N 2.95Å; E454-Q457 PolarHBondContact O-N 3.28Å; E454-W467 HydrophobicContact CB-CZ2 3.91Å; E454-W467 HydrophobicContact CG-CZ2 4.45Å; E454-W467 PolarHBondContact OE1-NE1 2.91Å
455	V	87.6	Confident	77.5	Confident	8 Å²	8	44.9 Å²	44.9	5%	0.048	30%	0.296	C	S	.	.	H	α-helix	trans	-55.4	-38.6	-177.8	-175.6	0	0	0	0	111.3	H114 P264 L266 A451 Y452 Q457 G458	H114-V455 HydrophobicContact CB-CG2 3.73Å; P264-V455 HydrophobicContact CB-CG1 4.34Å; L266-V455 HydrophobicContact CB-CG2 4.23Å; A451-V455 WeakPolarHBondContact O-CG2 3.41Å; A451-V455 PolarHBondContact O-N 3.02Å; Y452-V455 PolarHBondContact O-N 2.98Å; Y452-V455 VanDerWaalsContact O-N 3.08Å; V455-Q457 PolarHBondContact O-N 3.5Å; V455-Q457 VanDerWaalsContact O-N 3.16Å; V455-G458 PolarHBondContact O-N 2.9Å; V455-G458 VanDerWaalsContact O-N 3.17Å
456	S	81.6	Confident	76.1	Confident	56 Å²	56	47.7 Å²	47.7	39%	0.392	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-17.7	-178.4	79.6	0	0	0	0	115	Y452 V453 E454	Y452-S456 PolarHBondContact O-N 3.05Å; V453-S456 PolarHBondContact O-N 2.79Å; V453-S456 PolarHBondContact O-OG 3.06Å; E454-S456 PolarHBondContact O-N 2.95Å
457	Q	74.4	Confident	74.6	Confident	56 Å²	56	50.2 Å²	50.2	26%	0.262	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-14.9	177.9	-66.3	-179.9	7.7	0	0	113.6	H236 E454 V455	H236-Q457 PolarHBondContact CE1-NE2 3Å; H236-Q457 PolarHBondContact NE2-NE2 3.16Å; E454-Q457 PolarHBondContact O-N 3.28Å; V455-Q457 PolarHBondContact O-N 3.5Å; V455-Q457 VanDerWaalsContact O-N 3.16Å
458	G	65.2	Low	73.9	Confident	32 Å²	32	50.3 Å²	50.3	33%	0.33	32%	0.324	S	S	.	.			trans	72.9	-167.6	-175.1	0	0	0	0	0	113.7	V455 Q460	V455-G458 PolarHBondContact O-N 2.9Å; V455-G458 VanDerWaalsContact O-N 3.17Å; G458-Q460 PolarHBondContact O-N 2.87Å
459	P	56.4	Low	73.4	Confident	125 Å²	125	53.7 Å²	53.7	81%	0.812	35%	0.348	S	S	*	.			trans	-65.5	105	-173.1	-22.1	34.2	0	0	0	112.5
460	Q	54.9	Low	73.1	Confident	108 Å²	108	59.7 Å²	59.7	51%	0.505	38%	0.376	S	S	.	.			trans	-70.6	130.8	173.3	-74.5	-69.9	0.2	0	0	110	G458 S462	G458-Q460 PolarHBondContact O-N 2.87Å; Q460-S462 PolarHBondContact O-N 3.1Å
461	P	43.4	Very low	73	Confident	99 Å²	99	59.7 Å²	59.7	64%	0.643	38%	0.376	S	S	*	.			trans	-62.3	133.8	173.9	26.6	-33.5	0	0	0	109.8	S463	P461-S463 PolarHBondContact O-N 3.46Å; P461-S463 PolarHBondContact O-OG 2.82Å
462	S	48.8	Very low	73	Confident	131 Å²	131	62.2 Å²	62.2	92%	0.916	39%	0.388	S	S	*	.			trans	-52.4	105.3	-173.8	57.6	0	0	0	0	111.8	Q460	Q460-S462 PolarHBondContact O-N 3.1Å
463	S	48.3	Very low	73.2	Confident	94 Å²	94	62.6 Å²	62.6	66%	0.657	39%	0.39	S	S	*	.			trans	-138.6	143.5	-176.7	62.8	0	0	0	0	111.3	P461 G465	P461-S463 PolarHBondContact O-N 3.46Å; P461-S463 PolarHBondContact O-OG 2.82Å; S463-G465 PolarHBondContact O-N 2.88Å
464	S	56	Low	73.4	Confident	138 Å²	138	65 Å²	65	97%	0.965	40%	0.401	S	S	*	.	S	Bend	trans	-80.1	39	175.3	61.3	0	0	0	0	111.8
465	G	59.7	Low	74	Confident	44 Å²	44	63.8 Å²	63.8	45%	0.454	40%	0.395	S	S	.	.	S	Bend	trans	-101.2	176.7	-172.5	0	0	0	0	0	113.8	S463	S463-G465 PolarHBondContact O-N 2.88Å
466	P	66.6	Low	74.4	Confident	60 Å²	60	64.4 Å²	64.4	39%	0.39	40%	0.396	S	S	.	.			trans	-60.8	145.6	170.1	-20.5	33.2	0	0	0	111.8	L468 P469 H472	P466-L468 PolarHBondContact O-N 3.45Å; P466-P469 WeakPolarHBondContact O-CD 3.26Å; P466-P469 WeakPolarHBondContact O-CG 3.32Å; P466-H472 HydrophobicContact CB-CB 3.82Å; P466-H472 HydrophobicContact CG-CB 4.43Å
467	W	68.1	Low	75.1	Confident	52 Å²	52	61.8 Å²	61.8	20%	0.197	38%	0.378	C	S	.	.	S	Bend	trans	-54	-51.8	-173.7	-175.7	27.2	0	0	0	113.5	F60 Y227 M450 E454	F60-W467 HydrophobicContact CB-CZ3 3.97Å; F60-W467 HydrophobicContact CD1-CE3 4.47Å; F60-W467 AromaticContact CD1-CH2 3.25Å; F60-W467 HydrophobicContact CD1-CH2 3.25Å; F60-W467 HydrophobicContact CD1-CZ2 4.09Å; F60-W467 AromaticContact CD1-CZ3 3.47Å; F60-W467 HydrophobicContact CD1-CZ3 3.47Å; F60-W467 VanDerWaalsContact CD1-CZ3 3.47Å; F60-W467 HydrophobicContact CD2-CZ3 4.33Å; F60-W467 AromaticContact CE1-CH2 3.32Å; F60-W467 HydrophobicContact CE1-CH2 3.32Å; F60-W467 HydrophobicContact CE1-CZ2 4.09Å; F60-W467 AromaticContact CE1-CZ3 3.99Å; F60-W467 HydrophobicContact CE1-CZ3 3.99Å; F60-W467 AromaticContact CG-CH2 3.9Å; F60-W467 HydrophobicContact CG-CH2 3.9Å; F60-W467 AromaticContact CG-CZ3 3.66Å; F60-W467 HydrophobicContact CG-CZ3 3.66Å; F60-W467 HydrophobicContact CZ-CH2 4.02Å; Y227-W467 PolarHBondContact OH-N 3.11Å; Y227-W467 VanDerWaalsContact OH-N 3.15Å; M450-W467 HydrophobicContact CB-CH2 4.42Å; M450-W467 HydrophobicContact CE-CD2 4.17Å; M450-W467 HydrophobicContact CE-CE3 3.48Å; M450-W467 VanDerWaalsContact CE-CE3 3.48Å; M450-W467 HydrophobicContact CE-CH2 4.15Å; M450-W467 HydrophobicContact CE-CZ3 3.48Å; M450-W467 VanDerWaalsContact CE-CZ3 3.48Å; M450-W467 HydrophobicContact CG-CE3 4.37Å; M450-W467 HydrophobicContact CG-CH2 3.53Å; M450-W467 HydrophobicContact CG-CZ3 3.41Å; M450-W467 VanDerWaalsContact CG-CZ3 3.41Å; M450-W467 HydrophobicContact SD-CZ3 4.37Å; E454-W467 HydrophobicContact CB-CZ2 3.91Å; E454-W467 HydrophobicContact CG-CZ2 4.45Å; E454-W467 PolarHBondContact OE1-NE1 2.91Å
468	L	83.1	Confident	75.8	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.016	38%	0.377	C	S	.	.	S	Bend	trans	-122.4	95	167.7	-56.6	-168.3	0	0	0	109.4	Y227 M450 V453 P466 E470 C471 H472	Y227-L468 HydrophobicContact CD1-CB 4.44Å; Y227-L468 HydrophobicContact CE1-CB 3.98Å; Y227-L468 WeakPolarHBondContact CE1-O 3.27Å; M450-L468 HydrophobicContact CE-CB 4.35Å; M450-L468 HydrophobicContact CE-CD1 3.48Å; M450-L468 VanDerWaalsContact CE-CD1 3.48Å; M450-L468 HydrophobicContact CE-CG 3.67Å; M450-L468 HydrophobicContact SD-CD1 4.03Å; V453-L468 HydrophobicContact CG1-CD1 3.73Å; P466-L468 PolarHBondContact O-N 3.45Å; L468-E470 VanDerWaalsContact C-N 3.28Å; L468-E470 PolarHBondContact O-N 2.88Å; L468-E470 VanDerWaalsContact O-N 3.13Å; L468-C471 HydrophobicContact CB-CB 4.17Å; L468-C471 PolarHBondContact O-N 2.75Å; L468-H472 PolarHBondContact O-N 3.49Å
469	P	87.3	Confident	76.8	Confident	85 Å²	85	61.9 Å²	61.9	55%	0.552	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.8	-170	-29.1	36.4	0	0	0	115.3	P466	P466-P469 WeakPolarHBondContact O-CD 3.26Å; P466-P469 WeakPolarHBondContact O-CG 3.32Å
470	E	89.6	Confident	78.4	Confident	127 Å²	127	58.1 Å²	58.1	59%	0.593	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-29.7	177.9	-61.2	-168.7	155.3	0	0	113.4	H236 L468 K474	H236-E470 IonicContact CE1-OE2 2.73Å; H236-E470 IonicContact CG-OE2 3.61Å; H236-E470 IonicContact ND1-OE2 3.7Å; H236-E470 PolarHBondContact ND1-OE2 3.14Å; L468-E470 VanDerWaalsContact C-N 3.28Å; L468-E470 PolarHBondContact O-N 2.88Å; L468-E470 VanDerWaalsContact O-N 3.13Å; E470-K474 WeakPolarHBondContact O-CG 3.18Å
471	C	94.3	Very high	80.1	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.007	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-11.7	-177.5	-63.8	0	0	0	0	113.2	Y227 Y231 L468 N473 K474	Y227-C471 HydrophobicContact CD1-CB 3.94Å; Y227-C471 HydrophobicContact CE1-CB 4.41Å; Y231-C471 HydrophobicContact CD1-CB 4.39Å; L468-C471 HydrophobicContact CB-CB 4.17Å; L468-C471 PolarHBondContact O-N 2.75Å; C471-N473 PolarHBondContact O-N 3.05Å; C471-K474 WeakPolarHBondContact O-CB 3.4Å; C471-K474 PolarHBondContact O-N 3.24Å
472	H	95.9	Very high	82.4	Confident	53 Å²	53	56.6 Å²	56.6	25%	0.245	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	121.7	-178.2	174.9	-90.8	0	0	0	112	G225 Y227 P466 L468 K474	G225-H472 WeakPolarHBondContact CA-NE2 3.45Å; Y227-H472 HydrophobicContact CE1-CB 4Å; Y227-H472 AromaticContact CZ-CD2 3.96Å; Y227-H472 PolarHBondContact OH-CD2 2.73Å; P466-H472 HydrophobicContact CB-CB 3.82Å; P466-H472 HydrophobicContact CG-CB 4.43Å; L468-H472 PolarHBondContact O-N 3.49Å; H472-K474 PolarHBondContact O-N 2.99Å
473	N	97.1	Very high	84.7	Confident	13 Å²	13	51.6 Å²	51.6	7%	0.07	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	32.4	-176.3	-73.8	3	0	0	0	113.9	G225 I226 C471 T485 V486	G225-N473 VanDerWaalsContact CA-OD1 3.24Å; G225-N473 WeakPolarHBondContact CA-OD1 3.49Å; I226-N473 PolarHBondContact N-OD1 2.97Å; I226-N473 VanDerWaalsContact O-CA 3.24Å; I226-N473 WeakPolarHBondContact O-CA 3.44Å; I226-N473 PolarHBondContact O-N 3.19Å; C471-N473 PolarHBondContact O-N 3.05Å; N473-T485 CarbonylContact O-C 3.56Å; N473-T485 WeakPolarHBondContact O-CA 3.19Å; N473-V486 HydrophobicContact CB-CB 3.96Å; N473-V486 VanDerWaalsContact CB-O 3.28Å; N473-V486 WeakPolarHBondContact CB-O 3.29Å; N473-V486 PolarHBondContact ND2-O 3.49Å; N473-V486 PolarHBondContact O-N 2.68Å
474	K	97.4	Very high	87	Confident	52 Å²	52	47.9 Å²	47.9	23%	0.226	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	107.4	173.1	-54.3	-55.5	175.3	173.7	0	110	D228 Y231 E470 C471 H472 P483 T485	D228-K474 VanDerWaalsContact CB-O 3.28Å; D228-K474 WeakPolarHBondContact CB-O 3.32Å; Y231-K474 HydrophobicContact CD1-CB 3.54Å; Y231-K474 HydrophobicContact CD1-CG 4.26Å; Y231-K474 HydrophobicContact CE1-CB 3.57Å; Y231-K474 HydrophobicContact CE1-CG 3.79Å; Y231-K474 HydrophobicContact CG-CB 4.07Å; E470-K474 WeakPolarHBondContact O-CG 3.18Å; C471-K474 WeakPolarHBondContact O-CB 3.4Å; C471-K474 PolarHBondContact O-N 3.24Å; H472-K474 PolarHBondContact O-N 2.99Å; K474-P483 HydrophobicContact CB-CB 4.05Å; K474-P483 HydrophobicContact CB-CG 4.09Å; K474-P483 HydrophobicContact CD-CG 3.84Å; K474-P483 HydrophobicContact CG-CG 4.32Å; K474-T485 PolarHBondContact NZ-OG1 2.8Å
475	V	97.9	Very high	88.9	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	133	174.1	177.8	0	0	0	0	109.1	L193 L196 I226 P483 L484 V486	L193-V475 HydrophobicContact CB-CG1 3.94Å; L196-V475 HydrophobicContact CD1-CG1 4.45Å; L196-V475 HydrophobicContact CD1-CG2 3.89Å; I226-V475 HydrophobicContact CG2-CG2 4.09Å; V475-P483 CarbonylContact O-C 3.55Å; V475-P483 VanDerWaalsContact O-CA 3.31Å; V475-P483 WeakPolarHBondContact O-CA 3.41Å; V475-P483 WeakPolarHBondContact O-CB 3.37Å; V475-L484 HydrophobicContact CB-CB 4.3Å; V475-L484 PolarHBondContact N-O 3.37Å; V475-L484 PolarHBondContact O-N 3.5Å; V475-V486 HydrophobicContact CG2-CG2 3.84Å
476	Y	97	Very high	90.7	Very high	21 Å²	21	42.4 Å²	42.4	8%	0.082	25%	0.254	C	S	.	.			trans	-69	146.2	-175.1	-177.4	-92.8	0	0	0	111.4	N191 D228 K230 E234 F235 S478	N191-Y476 WeakPolarHBondContact OD1-CD1 3.15Å; D228-Y476 VanDerWaalsContact OD2-CB 3.26Å; D228-Y476 WeakPolarHBondContact OD2-CB 3.39Å; D228-Y476 PolarHBondContact OD2-N 3.14Å; K230-Y476 HydrophobicContact CB-CD1 4.35Å; K230-Y476 HydrophobicContact CB-CD2 4.2Å; K230-Y476 HydrophobicContact CB-CG 3.98Å; K230-Y476 HydrophobicContact CD-CD1 3.62Å; K230-Y476 HydrophobicContact CD-CD2 4.45Å; K230-Y476 HydrophobicContact CD-CE1 3.55Å; K230-Y476 HydrophobicContact CD-CE2 4.38Å; K230-Y476 HydrophobicContact CD-CG 4.08Å; K230-Y476 HydrophobicContact CG-CD1 3.86Å; K230-Y476 HydrophobicContact CG-CD2 3.79Å; K230-Y476 HydrophobicContact CG-CE1 3.93Å; K230-Y476 HydrophobicContact CG-CE2 3.86Å; K230-Y476 HydrophobicContact CG-CG 3.78Å; E234-Y476 HydrophobicContact CB-CE2 4.39Å; E234-Y476 PolarHBondContact OE1-OH 3.5Å; E234-Y476 WeakPolarHBondContact OE2-CE2 3.27Å; E234-Y476 PolarHBondContact OE2-OH 3.21Å; F235-Y476 HydrophobicContact CD2-CD2 4.44Å; F235-Y476 HydrophobicContact CD2-CE2 4.43Å; F235-Y476 AromaticContact CE2-CD2 3.97Å; F235-Y476 HydrophobicContact CE2-CD2 3.97Å; F235-Y476 AromaticContact CE2-CE2 3.74Å; F235-Y476 HydrophobicContact CE2-CE2 3.74Å; Y476-S478 WeakPolarHBondContact CE1-OG 3.06Å
477	L	94.6	Very high	92	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	25%	0.253	C	S	.	.			trans	-126.9	95.2	177.4	-66.8	178.8	0	0	0	110.6	I81 L193 G479 K480 L484	I81-L477 HydrophobicContact CD1-CD1 3.81Å; I81-L477 HydrophobicContact CG1-CD1 4.38Å; I81-L477 HydrophobicContact CG2-CD1 4.29Å; L193-L477 HydrophobicContact CD2-CD2 3.67Å; L477-G479 PolarHBondContact O-N 2.8Å; L477-K480 HydrophobicContact CB-CB 4.04Å; L477-K480 HydrophobicContact CB-CD 4.3Å; L477-K480 HydrophobicContact CB-CG 4.26Å; L477-K480 HydrophobicContact CD1-CD 4.11Å; L477-K480 PolarHBondContact O-N 3.03Å; L477-L484 HydrophobicContact CD1-CB 3.97Å; L477-L484 HydrophobicContact CD2-CB 4.08Å; L477-L484 HydrophobicContact CG-CB 4.08Å
478	S	90.2	Very high	93.1	Very high	33 Å²	33	43.8 Å²	43.8	23%	0.231	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.9	123.2	174.3	-76.3	0	0	0	0	111.9	R84 N191 Y476	R84-S478 PolarHBondContact NH1-O 3.28Å; R84-S478 PolarHBondContact NH2-O 3.1Å; N191-S478 PolarHBondContact OD1-OG 3.04Å; Y476-S478 WeakPolarHBondContact CE1-OG 3.06Å
479	G	87.1	Confident	93.4	Very high	56 Å²	56	46.1 Å²	46.1	58%	0.577	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	16.2	-178	0	0	0	0	0	116	Q79 L477	Q79-G479 PolarHBondContact NE2-O 3.19Å; L477-G479 PolarHBondContact O-N 2.8Å
480	K	89.8	Confident	93.3	Very high	46 Å²	46	51.3 Å²	51.3	20%	0.2	30%	0.297	C	S	.	.			trans	-133.6	142	173.9	-54	-165.1	72.2	72.8	0	111.6	Q79 I81 L477 V482	Q79-K480 PolarHBondContact O-NZ 3.49Å; I81-K480 HydrophobicContact CD1-CD 4.24Å; I81-K480 HydrophobicContact CG1-CD 3.98Å; L477-K480 HydrophobicContact CB-CB 4.04Å; L477-K480 HydrophobicContact CB-CD 4.3Å; L477-K480 HydrophobicContact CB-CG 4.26Å; L477-K480 HydrophobicContact CD1-CD 4.11Å; L477-K480 PolarHBondContact O-N 3.03Å; K480-V482 PolarHBondContact O-N 3.14Å
481	A	89.1	Confident	93.1	Very high	87 Å²	87	54.2 Å²	54.2	72%	0.719	31%	0.308	S	S	*	.	S	Bend	trans	-79.2	2	179.6	0	0	0	0	0	114.7
482	V	92.8	Very high	92.7	Very high	89 Å²	89	55.1 Å²	55.1	54%	0.539	31%	0.314	S	S	.	.	S	Bend	trans	-134.8	141.7	179.4	-67.9	0	0	0	0	110.4	K480	K480-V482 PolarHBondContact O-N 3.14Å
483	P	95.8	Very high	92.4	Very high	25 Å²	25	63 Å²	63	16%	0.162	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-77.9	160.7	178.9	33.6	-36.8	0	0	0	112	Y231 K474 V475 T485	Y231-P483 HydrophobicContact CD2-CB 3.8Å; Y231-P483 HydrophobicContact CD2-CG 4.12Å; Y231-P483 HydrophobicContact CE2-CB 3.77Å; Y231-P483 HydrophobicContact CE2-CG 3.54Å; K474-P483 HydrophobicContact CB-CB 4.05Å; K474-P483 HydrophobicContact CB-CG 4.09Å; K474-P483 HydrophobicContact CD-CG 3.84Å; K474-P483 HydrophobicContact CG-CG 4.32Å; V475-P483 CarbonylContact O-C 3.55Å; V475-P483 VanDerWaalsContact O-CA 3.31Å; V475-P483 WeakPolarHBondContact O-CA 3.41Å; V475-P483 WeakPolarHBondContact O-CB 3.37Å; P483-T485 PolarHBondContact O-N 2.84Å
484	L	96.7	Very high	92.2	Very high	16 Å²	16	63 Å²	63	8%	0.084	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	125.2	160.3	178	64.6	0	0	0	107.8	L193 L211 T215 V475 L477	L193-L484 HydrophobicContact CD1-CD2 3.85Å; L211-L484 HydrophobicContact CD1-CD1 4.24Å; L211-L484 HydrophobicContact CD1-CD2 4.15Å; L211-L484 HydrophobicContact CD2-CD1 4.19Å; L211-L484 HydrophobicContact CG-CD1 4.48Å; T215-L484 HydrophobicContact CG2-CD1 4.06Å; T215-L484 HydrophobicContact CG2-CD2 4.23Å; T215-L484 HydrophobicContact CG2-CG 4.33Å; V475-L484 HydrophobicContact CB-CB 4.3Å; V475-L484 PolarHBondContact N-O 3.37Å; V475-L484 PolarHBondContact O-N 3.5Å; L477-L484 HydrophobicContact CD1-CB 3.97Å; L477-L484 HydrophobicContact CD2-CB 4.08Å; L477-L484 HydrophobicContact CG-CB 4.08Å
485	T	96.9	Very high	92	Very high	65 Å²	65	61.5 Å²	61.5	40%	0.399	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116	173.1	-62.8	0	0	0	0	109.4	N473 K474 P483 A487	N473-T485 CarbonylContact O-C 3.56Å; N473-T485 WeakPolarHBondContact O-CA 3.19Å; K474-T485 PolarHBondContact NZ-OG1 2.8Å; P483-T485 PolarHBondContact O-N 2.84Å; T485-A487 HydrophobicContact CG2-CB 4.33Å; T485-A487 PolarHBondContact O-N 3.23Å; T485-A487 VanDerWaalsContact O-N 3.15Å
486	V	96.9	Very high	91.7	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.012	38%	0.377	C	S	.	.			trans	-78.5	98.2	177.7	178.7	0	0	0	0	108.9	L218 C219 I226 N473 V475	L218-V486 HydrophobicContact CB-CG1 3.68Å; C219-V486 HydrophobicContact CB-CG1 4.09Å; I226-V486 HydrophobicContact CD1-CG1 4.2Å; I226-V486 HydrophobicContact CD1-CG2 4.44Å; N473-V486 HydrophobicContact CB-CB 3.96Å; N473-V486 VanDerWaalsContact CB-O 3.28Å; N473-V486 WeakPolarHBondContact CB-O 3.29Å; N473-V486 PolarHBondContact ND2-O 3.49Å; N473-V486 PolarHBondContact O-N 2.68Å; V475-V486 HydrophobicContact CG2-CG2 3.84Å
487	A	93.8	Very high	91.4	Very high	46 Å²	46	70.1 Å²	70.1	38%	0.38	38%	0.381	S	S	.	.			trans	-146.5	151.9	178.4	0	0	0	0	0	111.2	T215 T485	T215-A487 PolarHBondContact OG1-O 3.19Å; T485-A487 HydrophobicContact CG2-CB 4.33Å; T485-A487 PolarHBondContact O-N 3.23Å; T485-A487 VanDerWaalsContact O-N 3.15Å
488	K	92	Very high	91.4	Very high	96 Å²	96	70.1 Å²	70.1	42%	0.417	38%	0.38	S	S	.	.			trans	-86	111.6	167.9	-178	164.6	177.3	166.9	0	109.7	A216 E220 S494	A216-K488 HydrophobicContact CB-CB 4Å; A216-K488 HydrophobicContact CB-CD 4.21Å; A216-K488 HydrophobicContact CB-CG 3.83Å; E220-K488 WeakPolarHBondContact OE1-CD 3.11Å; E220-K488 IonicContact OE1-NZ 3.75Å; E220-K488 PolarHBondContact OE1-NZ 3.5Å; E220-K488 IonicContact OE2-NZ 3.61Å; K488-S494 PolarHBondContact NZ-OG 2.84Å
489	S	88.9	Confident	91.4	Very high	51 Å²	51	72.1 Å²	72.1	36%	0.357	39%	0.388	S	S	.	.			trans	-77.4	161	173.8	93.4	0	0	0	0	111.5	F491 S492	S489-F491 PolarHBondContact O-N 3.41Å; S489-F491 PolarHBondContact OG-N 2.96Å; S489-F491 VanDerWaalsContact OG-N 3.16Å; S489-S492 PolarHBondContact O-N 3.29Å; S489-S492 VanDerWaalsContact O-N 3.11Å; S489-S492 WeakPolarHBondContact OG-CB 3.47Å; S489-S492 PolarHBondContact OG-N 3.06Å; S489-S492 PolarHBondContact OG-OG 2.79Å
490	Q	85.9	Confident	91.5	Very high	194 Å²	194	75.7 Å²	75.7	91%	0.907	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.8	174.5	-65.4	179.9	-4.8	0	0	113.3
491	F	84.1	Confident	91.4	Very high	188 Å²	188	74 Å²	74	83%	0.825	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-14.6	179.6	-50.7	-73.9	0	0	0	112.6	S489	S489-F491 PolarHBondContact O-N 3.41Å; S489-F491 PolarHBondContact OG-N 2.96Å; S489-F491 VanDerWaalsContact OG-N 3.16Å
492	S	85.8	Confident	91.3	Very high	21 Å²	21	70.6 Å²	70.6	15%	0.147	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-92.1	116.2	-175	-60.3	0	0	0	0	111.4	G212 S489	G212-S492 VanDerWaalsContact O-CB 3.3Å; G212-S492 WeakPolarHBondContact O-CB 3.36Å; G212-S492 PolarHBondContact O-OG 2.84Å; S489-S492 PolarHBondContact O-N 3.29Å; S489-S492 VanDerWaalsContact O-N 3.11Å; S489-S492 WeakPolarHBondContact OG-CB 3.47Å; S489-S492 PolarHBondContact OG-N 3.06Å; S489-S492 PolarHBondContact OG-OG 2.79Å
493	R	90	Very high	91	Very high	217 Å²	217	73.9 Å²	73.9	82%	0.819	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-95.5	134.9	172	-61.9	-177.1	-178	-176.8	0.3	110	T213	T213-R493 WeakPolarHBondContact CB-O 3.4Å; T213-R493 VanDerWaalsContact CG2-O 3.25Å; T213-R493 WeakPolarHBondContact CG2-O 3.16Å; T213-R493 PolarHBondContact OG1-O 2.79Å
494	S	92.7	Very high	90	Very high	13 Å²	13	78.3 Å²	78.3	9%	0.091	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-62.5	149.5	172.1	-25.3	0	0	0	0	110.6	D217 E220 K488 H498 N499	D217-S494 VanDerWaalsContact OD1-C 3.28Å; D217-S494 WeakPolarHBondContact OD1-CA 3.2Å; D217-S494 WeakPolarHBondContact OD1-CB 3.36Å; E220-S494 PolarHBondContact OE1-OG 2.94Å; E220-S494 VanDerWaalsContact OE2-CB 3.28Å; E220-S494 WeakPolarHBondContact OE2-CB 3.33Å; E220-S494 PolarHBondContact OE2-OG 2.86Å; K488-S494 PolarHBondContact NZ-OG 2.84Å; S494-H498 VanDerWaalsContact CB-CD2 3.49Å; S494-H498 WeakPolarHBondContact CB-CD2 3.49Å; S494-N499 PolarHBondContact O-ND2 3.27Å; S494-N499 VanDerWaalsContact O-ND2 3.09Å
495	S	93.9	Very high	88.9	Confident	22 Å²	22	78 Å²	78	15%	0.154	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-70.9	157.7	-173	71	0	0	0	0	113.3	Y200 D217 A497 H498 N499	Y200-S495 PolarHBondContact OH-OG 2.94Å; D217-S495 PolarHBondContact OD1-N 3.17Å; D217-S495 WeakPolarHBondContact OD2-CB 3.44Å; D217-S495 PolarHBondContact OD2-N 3.45Å; D217-S495 PolarHBondContact OD2-OG 2.96Å; S495-A497 PolarHBondContact O-N 3.13Å; S495-H498 PolarHBondContact O-N 3.32Å; S495-H498 VanDerWaalsContact OG-CB 3.22Å; S495-H498 WeakPolarHBondContact OG-CB 3.38Å; S495-H498 PolarHBondContact OG-N 2.69Å; S495-N499 PolarHBondContact O-N 2.81Å; S495-N499 PolarHBondContact O-ND2 3.19Å
496	K	91.8	Very high	88	Confident	185 Å²	185	78.5 Å²	78.5	80%	0.804	38%	0.376	S	S	*	.	H	α-helix	trans	-61.5	-42.9	-178.1	-70	-177.5	-179.9	176.9	0	112.3	N499 Q500	K496-N499 PolarHBondContact O-N 3.32Å; K496-Q500 WeakPolarHBondContact O-CG 3.41Å; K496-Q500 PolarHBondContact O-N 3.18Å; K496-Q500 VanDerWaalsContact O-N 3.14Å
497	A	91.3	Very high	86.1	Confident	19 Å²	19	81.3 Å²	81.3	16%	0.157	41%	0.405	C	S	.	.	H	α-helix	trans	-66.5	-42.9	178.7	0	0	0	0	0	111.8	A205 S495 Q500 K501	A205-A497 HydrophobicContact CB-CB 3.84Å; S495-A497 PolarHBondContact O-N 3.13Å; A497-Q500 PolarHBondContact O-N 3.14Å; A497-K501 PolarHBondContact O-N 3.24Å
498	H	93.4	Very high	83.8	Confident	1 Å²	1	84.6 Å²	84.6	1%	0.005	43%	0.425	C	S	.	.	H	α-helix	trans	-57	-51	171.3	171.3	89.5	0	0	0	111.6	Y204 D217 E220 S494 S495 Q500 K501 M502	Y204-H498 HydrophobicContact CE1-CB 4.05Å; Y204-H498 AromaticContact CE1-ND1 3.98Å; Y204-H498 AromaticContact CZ-ND1 3.88Å; Y204-H498 PolarHBondContact OH-ND1 2.97Å; Y204-H498 VanDerWaalsContact OH-ND1 3.1Å; D217-H498 HydrophobicContact CB-CB 4.3Å; D217-H498 PolarHBondContact O-CE1 3.12Å; D217-H498 IonicContact OD1-CD2 3.69Å; D217-H498 PolarHBondContact OD1-CD2 3.27Å; D217-H498 IonicContact OD1-CG 3.78Å; D217-H498 IonicContact OD1-NE2 2.75Å; E220-H498 WeakPolarHBondContact CB-NE2 3.42Å; E220-H498 IonicContact OE2-CD2 3.18Å; E220-H498 IonicContact OE2-CE1 3.43Å; E220-H498 IonicContact OE2-NE2 3.71Å; E220-H498 PolarHBondContact OE2-NE2 3.12Å; S494-H498 VanDerWaalsContact CB-CD2 3.49Å; S494-H498 WeakPolarHBondContact CB-CD2 3.49Å; S495-H498 PolarHBondContact O-N 3.32Å; S495-H498 VanDerWaalsContact OG-CB 3.22Å; S495-H498 WeakPolarHBondContact OG-CB 3.38Å; S495-H498 PolarHBondContact OG-N 2.69Å; H498-Q500 PolarHBondContact O-N 2.83Å; H498-Q500 VanDerWaalsContact O-N 3.12Å; H498-K501 PolarHBondContact O-N 2.83Å; H498-M502 WeakPolarHBondContact CE1-CG 3.31Å; H498-M502 WeakPolarHBondContact O-CG 3.25Å; H498-M502 PolarHBondContact O-N 3.01Å
499	N	91.9	Very high	81.1	Confident	75 Å²	75	87.3 Å²	87.3	40%	0.401	46%	0.456	S	S	.	.	H	α-helix	trans	-57.4	-29.9	177.6	-82.7	-87	0	0	0	113.8	S494 S495 K496 K503	S494-N499 PolarHBondContact O-ND2 3.27Å; S494-N499 VanDerWaalsContact O-ND2 3.09Å; S495-N499 PolarHBondContact O-N 2.81Å; S495-N499 PolarHBondContact O-ND2 3.19Å; K496-N499 PolarHBondContact O-N 3.32Å; N499-K503 WeakPolarHBondContact O-CG 3.24Å
500	Q	88.2	Confident	80.7	Confident	132 Å²	132	89.1 Å²	89.1	62%	0.617	46%	0.461	S	S	*	.	H	α-helix	trans	-75.9	-47.9	173.2	-70.8	167.9	-41.9	0	0	111.1	K496 A497 H498 M502 K503 L504	K496-Q500 WeakPolarHBondContact O-CG 3.41Å; K496-Q500 PolarHBondContact O-N 3.18Å; K496-Q500 VanDerWaalsContact O-N 3.14Å; A497-Q500 PolarHBondContact O-N 3.14Å; H498-Q500 PolarHBondContact O-N 2.83Å; H498-Q500 VanDerWaalsContact O-N 3.12Å; Q500-M502 PolarHBondContact O-N 3.02Å; Q500-K503 WeakPolarHBondContact O-CB 3.41Å; Q500-K503 PolarHBondContact O-N 3.03Å; Q500-L504 PolarHBondContact O-N 2.78Å
501	K	87.8	Confident	80.4	Confident	9 Å²	9	83.6 Å²	83.6	4%	0.039	44%	0.438	C	S	.	.	H	α-helix	trans	-62.3	-41	178.2	-80.5	174.7	176.8	-99	0	113.2	D163 Y204 A497 H498 K503 L504 A505	D163-K501 WeakPolarHBondContact OD1-CE 3.35Å; D163-K501 IonicContact OD1-NZ 2.69Å; D163-K501 PolarHBondContact OD1-NZ 3.36Å; D163-K501 WeakPolarHBondContact OD2-CE 3.45Å; D163-K501 IonicContact OD2-NZ 2.86Å; D163-K501 PolarHBondContact OD2-NZ 3.24Å; Y204-K501 HydrophobicContact CD1-CD 4.11Å; Y204-K501 HydrophobicContact CD2-CD 3.9Å; Y204-K501 HydrophobicContact CE1-CD 3.88Å; Y204-K501 HydrophobicContact CE2-CB 4.01Å; Y204-K501 HydrophobicContact CE2-CD 3.67Å; Y204-K501 HydrophobicContact CE2-CG 4.43Å; Y204-K501 HydrophobicContact CG-CD 4.12Å; Y204-K501 WeakPolarHBondContact O-CE 3.36Å; Y204-K501 PolarHBondContact O-NZ 3.43Å; Y204-K501 WeakPolarHBondContact OH-CB 3.32Å; A497-K501 PolarHBondContact O-N 3.24Å; H498-K501 PolarHBondContact O-N 2.83Å; K501-K503 VanDerWaalsContact C-N 3.29Å; K501-K503 PolarHBondContact O-N 3.19Å; K501-L504 CarbonylContact O-C 3.56Å; K501-L504 PolarHBondContact O-N 2.98Å; K501-L504 VanDerWaalsContact O-N 3.1Å; K501-A505 VanDerWaalsContact O-CB 3.3Å; K501-A505 WeakPolarHBondContact O-CB 3.44Å; K501-A505 PolarHBondContact O-N 3.34Å
502	M	87.6	Confident	80.2	Confident	17 Å²	17	77.8 Å²	77.8	8%	0.084	42%	0.416	C	S	.	.	H	α-helix	trans	-67.2	-30.1	178.7	-59.2	-45.7	-76.7	0	0	112.4	I181 Y204 E220 M221 H498 Q500 A505 W506	I181-M502 HydrophobicContact CG2-CE 3.98Å; I181-M502 HydrophobicContact CG2-SD 4.28Å; Y204-M502 PolarHBondContact OH-SD 3.4Å; E220-M502 WeakPolarHBondContact O-CE 3.24Å; M221-M502 HydrophobicContact CG-SD 4.42Å; H498-M502 WeakPolarHBondContact CE1-CG 3.31Å; H498-M502 WeakPolarHBondContact O-CG 3.25Å; H498-M502 PolarHBondContact O-N 3.01Å; Q500-M502 PolarHBondContact O-N 3.02Å; M502-A505 PolarHBondContact O-N 2.68Å; M502-W506 HydrophobicContact CE-CD2 3.86Å; M502-W506 VanDerWaalsContact CE-CE2 3.41Å; M502-W506 HydrophobicContact CE-CE3 4.02Å; M502-W506 HydrophobicContact CE-CH2 3.45Å; M502-W506 VanDerWaalsContact CE-CH2 3.45Å; M502-W506 HydrophobicContact CE-CZ2 3.21Å; M502-W506 HydrophobicContact CE-CZ3 3.83Å; M502-W506 WeakPolarHBondContact O-CB 3.21Å; M502-W506 PolarHBondContact O-N 3.21Å
503	K	84.8	Confident	79.9	Confident	157 Å²	157	81.1 Å²	81.1	68%	0.683	43%	0.432	S	S	*	.	H	α-helix	trans	-65.9	-40.4	169.3	-72.1	175.5	-180	-173	0	112.1	N499 Q500 K501 G507	N499-K503 WeakPolarHBondContact O-CG 3.24Å; Q500-K503 WeakPolarHBondContact O-CB 3.41Å; Q500-K503 PolarHBondContact O-N 3.03Å; K501-K503 VanDerWaalsContact C-N 3.29Å; K501-K503 PolarHBondContact O-N 3.19Å; K503-G507 WeakPolarHBondContact O-CA 3.29Å; K503-G507 PolarHBondContact O-N 2.65Å
504	L	76.5	Confident	79.3	Confident	118 Å²	118	72.6 Å²	72.6	62%	0.618	41%	0.408	S	S	*	.	H	α-helix	trans	-74.3	-26.2	174.5	-63.1	172.9	0	0	0	113	R182 Q500 K501	R182-L504 PolarHBondContact NH2-O 3.39Å; Q500-L504 PolarHBondContact O-N 2.78Å; K501-L504 CarbonylContact O-C 3.56Å; K501-L504 PolarHBondContact O-N 2.98Å; K501-L504 VanDerWaalsContact O-N 3.1Å
505	A	73	Confident	78.4	Confident	11 Å²	11	76.6 Å²	76.6	9%	0.091	43%	0.429	C	S	.	.	H	α-helix	trans	-78.5	-40.4	179.6	0	0	0	0	0	112	R182 K501 M502	R182-A505 HydrophobicContact CG-CB 4.18Å; R182-A505 WeakPolarHBondContact CG-O 3.49Å; R182-A505 PolarHBondContact NE-O 2.91Å; K501-A505 VanDerWaalsContact O-CB 3.3Å; K501-A505 WeakPolarHBondContact O-CB 3.44Å; K501-A505 PolarHBondContact O-N 3.34Å; M502-A505 PolarHBondContact O-N 2.68Å
506	W	76.8	Confident	77.3	Confident	74 Å²	74	80.5 Å²	80.5	28%	0.28	45%	0.449	S	S	.	.	H	α-helix	trans	-123.4	-12.6	-169.8	-59.4	-19.9	0	0	0	115.2	E220 P223 M502 S508 S509	E220-W506 WeakPolarHBondContact O-CH2 3.38Å; E220-W506 VanDerWaalsContact O-CZ2 3.28Å; E220-W506 WeakPolarHBondContact O-CZ2 3.41Å; P223-W506 HydrophobicContact CG-CZ2 4.21Å; M502-W506 HydrophobicContact CE-CD2 3.86Å; M502-W506 VanDerWaalsContact CE-CE2 3.41Å; M502-W506 HydrophobicContact CE-CE3 4.02Å; M502-W506 HydrophobicContact CE-CH2 3.45Å; M502-W506 VanDerWaalsContact CE-CH2 3.45Å; M502-W506 HydrophobicContact CE-CZ2 3.21Å; M502-W506 HydrophobicContact CE-CZ3 3.83Å; M502-W506 WeakPolarHBondContact O-CB 3.21Å; M502-W506 PolarHBondContact O-N 3.21Å; W506-S508 PolarHBondContact O-N 3.4Å; W506-S509 PolarHBondContact O-N 3.11Å; W506-S509 PolarHBondContact O-OG 2.63Å
507	G	58.5	Low	76.2	Confident	61 Å²	61	72.5 Å²	72.5	63%	0.629	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	17.1	-179.4	0	0	0	0	0	115.1	K503	K503-G507 WeakPolarHBondContact O-CA 3.29Å; K503-G507 PolarHBondContact O-N 2.65Å
508	S	44	Very low	74.9	Confident	116 Å²	116	76.9 Å²	76.9	81%	0.811	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.1	31	176	-49.6	0	0	0	0	110.7	W506	W506-S508 PolarHBondContact O-N 3.4Å
509	S	36.3	Very low	73.2	Confident	152 Å²	152	83.8 Å²	83.8	100%	1.063	48%	0.483	S	S	*	.			trans	-96.4	0	168	-60.4	0	0	0	0	110.2	W506	W506-S509 PolarHBondContact O-N 3.11Å; W506-S509 PolarHBondContact O-OG 2.63Å

Retrieved 509 of 509 residues in 2376.7 ms (Link to these results)

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