A0A096MZV5_PAPAN Loading...

Heteroous nuclear ribonucleoprotein R

AlphaFold DB (O43390), UniProt , Accession A0A096MZV5, Species PAPAN (Papio anubis, Olive baboon), Gene HNRNPR, Length 633 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	36.2	Very low	247 Å²	247	145.5 Å²	145.5	100%	1.217	85%	0.849	S	S	*	*				0	172	0	-76.6	173.5	170.3	0	0	108.7
2	A	37.9	Very low	35.9	Very low	85 Å²	85	146.3 Å²	146.3	70%	0.702	85%	0.845	S	S	*	*			trans	-52.4	158.2	177.8	0	0	0	0	0	113.6
3	N	38.3	Very low	35.6	Very low	152 Å²	152	149.8 Å²	149.8	81%	0.813	85%	0.845	S	S	*	*			cis	-151	171.2	4.8	-127.9	-0.1	0	0	0	113
4	Q	32.3	Very low	35.5	Very low	181 Å²	181	153.1 Å²	153.1	85%	0.846	85%	0.849	S	S	*	*			trans	-69.6	146.1	169.5	-62.8	164.8	-20.1	0	0	111.8
5	V	41.1	Very low	35.5	Very low	132 Å²	132	156.2 Å²	156.2	80%	0.8	86%	0.855	S	S	*	*			trans	-149.9	116.2	152	-110.2	0	0	0	0	111.3
6	N	38.3	Very low	35.5	Very low	149 Å²	149	158.8 Å²	158.8	80%	0.797	86%	0.859	S	S	*	*			trans	33.1	99.2	151.5	-56.3	-4.6	0	0	0	118.8
7	G	30.6	Very low	35.7	Very low	81 Å²	81	160.6 Å²	160.6	84%	0.835	86%	0.861	S	S	*	*			trans	-73.3	138.1	141.4	0	0	0	0	0	109.5
8	N	37.5	Very low	35.9	Very low	153 Å²	153	158.2 Å²	158.2	82%	0.818	86%	0.855	S	S	*	*			trans	-145.6	116.5	168	-137.9	2.7	0	0	0	108.1
9	A	35	Very low	36.3	Very low	102 Å²	102	159.6 Å²	159.6	84%	0.843	86%	0.858	S	S	*	*			trans	-87.8	118.8	-174.9	0	0	0	0	0	110.5
10	V	40.4	Very low	36.4	Very low	125 Å²	125	157.1 Å²	157.1	76%	0.758	84%	0.844	S	S	*	*			trans	-129.8	105.1	168.2	-178.3	0	0	0	0	108
11	Q	30.5	Very low	37.1	Very low	194 Å²	194	156.6 Å²	156.6	91%	0.907	85%	0.847	S	S	*	*			trans	-78.9	124.9	164.9	-66.1	171.1	-36.2	0	0	108.1
12	L	32.4	Very low	37.9	Very low	154 Å²	154	149.5 Å²	149.5	81%	0.806	82%	0.822	S	S	*	*			trans	-164.1	139.6	160.9	-106.8	179.9	0	0	0	111.2
13	K	32.7	Very low	38.7	Very low	193 Å²	193	149.7 Å²	149.7	84%	0.839	82%	0.818	S	S	*	*			trans	54.5	99.8	167.7	-69.9	-164.6	168.6	-159.9	0	118.7
14	E	33.7	Very low	39.7	Very low	195 Å²	195	147.2 Å²	147.2	91%	0.911	81%	0.808	S	S	*	*				-130.1	177.9	128.3	-69.5	-167	154.4	0	0	108.1
15	E	35.7	Very low	41.7	Very low	200 Å²	200	144 Å²	144	94%	0.935	80%	0.801	S	S	*	*			trans	85.6	104.1	-171.4	-59	-178.1	-171.1	0	0	116
16	E	35.2	Very low	43.7	Very low	198 Å²	198	140.7 Å²	140.7	93%	0.925	78%	0.777	S	S	*	*			trans	-106.4	164.2	165.7	-69.2	-171.5	130.4	0	0	110.5
17	E	39.6	Very low	45.8	Very low	190 Å²	190	135.3 Å²	135.3	89%	0.888	75%	0.749	S	S	*	*			trans	-66.3	152	-178	-43.6	-179	155.5	0	0	112.2
18	P	38.3	Very low	48.4	Very low	116 Å²	116	140 Å²	140	75%	0.753	75%	0.749	S	S	*	*				-149.7	152.1	81.3	38.1	-21	0	0	0	115.9
19	M	43.4	Very low	50.8	Low	185 Å²	185	135.7 Å²	135.7	91%	0.911	72%	0.724	S	S	*	*			trans	-154.2	117.3	153.5	-124.8	176.1	-67.7	0	0	115.7
20	D	39.7	Very low	53.3	Low	109 Å²	109	132.1 Å²	132.1	58%	0.583	69%	0.689	S	S	*	*			trans	57.7	108.8	141	-148.9	-18.7	0	0	0	121.2	S22	D20-S22 WeakPolarHBondContact OD1-CA 3.31Å; D20-S22 WeakPolarHBondContact OD1-CB 3.02Å; D20-S22 PolarHBondContact OD1-N 2.93Å; D20-S22 PolarHBondContact OD1-OG 3.08Å; D20-S22 PolarHBondContact OD2-OG 3.13Å
21	T	50.8	Low	55.6	Low	148 Å²	148	133.4 Å²	133.4	91%	0.908	69%	0.685	S	S	*	*	S	Bend	trans	-95.7	11.7	171.1	46.9	0	0	0	0	114.4
22	S	52.5	Low	58.4	Low	98 Å²	98	127 Å²	127	69%	0.685	66%	0.659	S	S	*	*			trans	-103.8	12.9	-169.3	75.3	0	0	0	0	116.6	D20	D20-S22 WeakPolarHBondContact OD1-CA 3.31Å; D20-S22 WeakPolarHBondContact OD1-CB 3.02Å; D20-S22 PolarHBondContact OD1-N 2.93Å; D20-S22 PolarHBondContact OD1-OG 3.08Å; D20-S22 PolarHBondContact OD2-OG 3.13Å
23	S	53.6	Low	61.1	Low	88 Å²	88	119.7 Å²	119.7	62%	0.615	62%	0.621	S	S	*	*			trans	-121	50.5	-178.3	58	0	0	0	0	114.9	T25	S23-T25 PolarHBondContact O-N 3.27Å
24	V	59.7	Low	63.9	Low	100 Å²	100	113.9 Å²	113.9	61%	0.606	60%	0.598	S	S	*	*			trans	-63.4	105.3	161.5	-176.4	0	0	0	0	108.3	H26	V24-H26 VanDerWaalsContact C-N 3.26Å; V24-H26 VanDerWaalsContact CG1-CE1 3.46Å; V24-H26 WeakPolarHBondContact CG1-CE1 3.33Å; V24-H26 PolarHBondContact O-CD2 3.32Å; V24-H26 PolarHBondContact O-N 3.35Å
25	T	75.6	Confident	66.5	Low	113 Å²	113	111.1 Å²	111.1	69%	0.693	59%	0.585	S	S	*	*			trans	-74.8	76.9	-177	51.9	0	0	0	0	111.2	S23 Q51	S23-T25 PolarHBondContact O-N 3.27Å; T25-Q51 PolarHBondContact O-NE2 3.45Å
26	H	81.4	Confident	69	Low	63 Å²	63	104.2 Å²	104.2	29%	0.292	56%	0.562	S	S	.	*			trans	-60.6	146.2	177	-71.7	-54.8	0	0	0	112.8	V24 Y30 D47	V24-H26 VanDerWaalsContact C-N 3.26Å; V24-H26 VanDerWaalsContact CG1-CE1 3.46Å; V24-H26 WeakPolarHBondContact CG1-CE1 3.33Å; V24-H26 PolarHBondContact O-CD2 3.32Å; V24-H26 PolarHBondContact O-N 3.35Å; H26-Y30 HydrophobicContact CB-CD1 3.98Å; H26-Y30 HydrophobicContact CB-CD2 4.17Å; H26-Y30 HydrophobicContact CB-CG 3.67Å; H26-Y30 AromaticContact CD2-CD1 3.89Å; H26-Y30 AromaticContact CD2-CE1 3.75Å; H26-Y30 AromaticContact CD2-CZ 3.86Å; H26-Y30 AromaticContact CE1-CD2 3.8Å; H26-Y30 AromaticContact CE1-CE2 3.46Å; H26-Y30 VanDerWaalsContact CE1-CE2 3.46Å; H26-Y30 WeakPolarHBondContact CE1-CE2 2.8Å; H26-Y30 AromaticContact CE1-CZ 3.79Å; H26-Y30 AromaticContact CG-CD1 3.81Å; H26-Y30 AromaticContact CG-CD2 3.68Å; H26-Y30 AromaticContact CG-CE2 3.99Å; H26-Y30 AromaticContact CG-CG 3.59Å; H26-Y30 AromaticContact ND1-CD2 3.4Å; H26-Y30 WeakPolarHBondContact ND1-CD2 3.46Å; H26-Y30 AromaticContact ND1-CE2 3.59Å; H26-Y30 AromaticContact ND1-CG 3.82Å; H26-Y30 AromaticContact NE2-CE1 3.99Å; H26-Y30 AromaticContact NE2-CE2 3.79Å; H26-Y30 AromaticContact NE2-CZ 3.61Å; H26-D47 VanDerWaalsContact CA-OD2 3.24Å; H26-D47 WeakPolarHBondContact CA-OD2 3.44Å; H26-D47 IonicContact CG-OD2 2.76Å; H26-D47 IonicContact ND1-OD2 2.67Å; H26-D47 PolarHBondContact ND1-OD2 3.26Å
27	T	83.8	Confident	71.6	Confident	36 Å²	36	95.9 Å²	95.9	22%	0.221	53%	0.529	C	S	.	.			trans	-69	161.7	173.6	75.4	0	0	0	0	110.8	H29 Y30 D47 F50 Q51	T27-H29 PolarHBondContact O-N 2.87Å; T27-H29 VanDerWaalsContact O-N 3.1Å; T27-H29 PolarHBondContact OG1-N 3.15Å; T27-Y30 VanDerWaalsContact O-CB 3.26Å; T27-Y30 WeakPolarHBondContact O-CB 3.31Å; T27-Y30 PolarHBondContact O-N 2.96Å; T27-D47 VanDerWaalsContact CB-OD1 3.25Å; T27-D47 WeakPolarHBondContact CB-OD1 3.36Å; T27-D47 WeakPolarHBondContact CG2-OD1 3.25Å; T27-D47 PolarHBondContact N-OD1 3.41Å; T27-D47 PolarHBondContact N-OD2 2.71Å; T27-D47 PolarHBondContact OG1-OD1 3.33Å; T27-F50 HydrophobicContact CG2-CB 4.3Å; T27-Q51 HydrophobicContact CG2-CG 3.78Å
28	E	85.5	Confident	74	Confident	179 Å²	179	86.9 Å²	86.9	84%	0.836	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-32.7	173.4	-60.8	-175.3	166.5	0	0	111.9	Y30 K31	E28-Y30 PolarHBondContact O-N 3.25Å; E28-K31 PolarHBondContact O-N 2.98Å
29	H	86.6	Confident	76.6	Confident	64 Å²	64	82.4 Å²	82.4	30%	0.296	46%	0.458	S	S	.	.	H	α-helix	trans	-66.8	-19.6	178.1	-58.2	-52.3	0	0	0	113.3	T27 K31 T32 L33 F50 Y57	T27-H29 PolarHBondContact O-N 2.87Å; T27-H29 VanDerWaalsContact O-N 3.1Å; T27-H29 PolarHBondContact OG1-N 3.15Å; H29-K31 PolarHBondContact O-N 3.31Å; H29-T32 CarbonylContact O-C 3.59Å; H29-T32 WeakPolarHBondContact O-CA 3.38Å; H29-T32 PolarHBondContact O-N 2.95Å; H29-L33 WeakPolarHBondContact O-CG 3.38Å; H29-L33 PolarHBondContact O-N 2.65Å; H29-F50 HydrophobicContact CB-CE2 4.5Å; H29-Y57 HydrophobicContact CB-CD1 4.47Å; H29-Y57 HydrophobicContact CB-CD2 3.93Å; H29-Y57 HydrophobicContact CB-CE2 4.45Å; H29-Y57 HydrophobicContact CB-CG 3.93Å; H29-Y57 WeakPolarHBondContact CD2-CB 3.43Å; H29-Y57 AromaticContact CD2-CG 3.95Å; H29-Y57 AromaticContact CE1-CD1 3.63Å; H29-Y57 VanDerWaalsContact CG-CB 3.47Å; H29-Y57 AromaticContact CG-CD1 3.81Å; H29-Y57 AromaticContact CG-CG 3.54Å; H29-Y57 AromaticContact ND1-CD1 3.34Å; H29-Y57 VanDerWaalsContact ND1-CD1 3.34Å; H29-Y57 WeakPolarHBondContact ND1-CD1 3.34Å; H29-Y57 AromaticContact ND1-CE1 3.87Å; H29-Y57 AromaticContact ND1-CG 3.6Å
30	Y	87.6	Confident	78.9	Confident	27 Å²	27	75.8 Å²	75.8	11%	0.106	43%	0.425	C	S	.	.	H	α-helix	trans	-57.4	-23.6	176.9	-176	-97.2	0	0	0	114	H26 T27 E28 L33 I34 E44 D47 W594	H26-Y30 HydrophobicContact CB-CD1 3.98Å; H26-Y30 HydrophobicContact CB-CD2 4.17Å; H26-Y30 HydrophobicContact CB-CG 3.67Å; H26-Y30 AromaticContact CD2-CD1 3.89Å; H26-Y30 AromaticContact CD2-CE1 3.75Å; H26-Y30 AromaticContact CD2-CZ 3.86Å; H26-Y30 AromaticContact CE1-CD2 3.8Å; H26-Y30 AromaticContact CE1-CE2 3.46Å; H26-Y30 VanDerWaalsContact CE1-CE2 3.46Å; H26-Y30 WeakPolarHBondContact CE1-CE2 2.8Å; H26-Y30 AromaticContact CE1-CZ 3.79Å; H26-Y30 AromaticContact CG-CD1 3.81Å; H26-Y30 AromaticContact CG-CD2 3.68Å; H26-Y30 AromaticContact CG-CE2 3.99Å; H26-Y30 AromaticContact CG-CG 3.59Å; H26-Y30 AromaticContact ND1-CD2 3.4Å; H26-Y30 WeakPolarHBondContact ND1-CD2 3.46Å; H26-Y30 AromaticContact ND1-CE2 3.59Å; H26-Y30 AromaticContact ND1-CG 3.82Å; H26-Y30 AromaticContact NE2-CE1 3.99Å; H26-Y30 AromaticContact NE2-CE2 3.79Å; H26-Y30 AromaticContact NE2-CZ 3.61Å; T27-Y30 VanDerWaalsContact O-CB 3.26Å; T27-Y30 WeakPolarHBondContact O-CB 3.31Å; T27-Y30 PolarHBondContact O-N 2.96Å; E28-Y30 PolarHBondContact O-N 3.25Å; Y30-L33 HydrophobicContact CD2-CD1 3.91Å; Y30-L33 HydrophobicContact CG-CD1 4.49Å; Y30-L33 CarbonylContact O-C 3.2Å; Y30-L33 WeakPolarHBondContact O-CA 3.42Å; Y30-L33 WeakPolarHBondContact O-CB 3.17Å; Y30-L33 PolarHBondContact O-N 3.41Å; Y30-I34 HydrophobicContact CD1-CG1 4.25Å; Y30-I34 HydrophobicContact CE1-CD1 4.04Å; Y30-I34 HydrophobicContact CE1-CG1 4.2Å; Y30-I34 WeakPolarHBondContact O-CG1 3.15Å; Y30-I34 PolarHBondContact O-N 2.93Å; Y30-E44 HydrophobicContact CE2-CG 3.83Å; Y30-D47 HydrophobicContact CD2-CB 4.13Å; Y30-W594 WeakPolarHBondContact OH-CZ2 3.5Å
31	K	89	Confident	81.5	Confident	152 Å²	152	73.3 Å²	73.3	66%	0.661	41%	0.409	S	S	*	.	H	α-helix	trans	-85.2	-37.1	173.6	-69.6	179.6	-177.2	172.8	0	113.1	E28 H29 L33 I34	E28-K31 PolarHBondContact O-N 2.98Å; H29-K31 PolarHBondContact O-N 3.31Å; K31-L33 CarbonylContact O-C 3.52Å; K31-L33 VanDerWaalsContact O-C 3.29Å; K31-L33 PolarHBondContact O-N 2.9Å; K31-I34 HydrophobicContact CG-CG1 4.37Å; K31-I34 WeakPolarHBondContact O-CB 3.48Å; K31-I34 PolarHBondContact O-N 2.82Å
32	T	89	Confident	83.5	Confident	60 Å²	60	66.3 Å²	66.3	37%	0.368	37%	0.366	S	S	.	.	H	α-helix	trans	-72.4	0.5	162.6	-23.9	0	0	0	0	111.7	H29 Y57 N593	H29-T32 CarbonylContact O-C 3.59Å; H29-T32 WeakPolarHBondContact O-CA 3.38Å; H29-T32 PolarHBondContact O-N 2.95Å; T32-Y57 WeakPolarHBondContact CB-OH 3.17Å; T32-Y57 WeakPolarHBondContact CG2-OH 3.41Å; T32-N593 VanDerWaalsContact O-CB 3.28Å; T32-N593 WeakPolarHBondContact O-CB 3.38Å; T32-N593 PolarHBondContact O-ND2 2.72Å
33	L	89.9	Confident	85.5	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-75.1	-81.6	144.5	-42.2	173.1	0	0	0	109.5	H29 Y30 K31 E35 A43 L46 D47 N593 W594	H29-L33 WeakPolarHBondContact O-CG 3.38Å; H29-L33 PolarHBondContact O-N 2.65Å; Y30-L33 HydrophobicContact CD2-CD1 3.91Å; Y30-L33 HydrophobicContact CG-CD1 4.49Å; Y30-L33 CarbonylContact O-C 3.2Å; Y30-L33 WeakPolarHBondContact O-CA 3.42Å; Y30-L33 WeakPolarHBondContact O-CB 3.17Å; Y30-L33 PolarHBondContact O-N 3.41Å; K31-L33 CarbonylContact O-C 3.52Å; K31-L33 VanDerWaalsContact O-C 3.29Å; K31-L33 PolarHBondContact O-N 2.9Å; L33-E35 PolarHBondContact O-N 3.22Å; L33-A43 HydrophobicContact CB-CB 4.21Å; L33-A43 HydrophobicContact CD1-CB 3.64Å; L33-A43 WeakPolarHBondContact CD1-O 3.36Å; L33-A43 HydrophobicContact CD2-CB 4.43Å; L33-A43 HydrophobicContact CG-CB 4.29Å; L33-L46 HydrophobicContact CD2-CD2 4.34Å; L33-D47 HydrophobicContact CD1-CB 4.05Å; L33-N593 HydrophobicContact CB-CB 4.18Å; L33-N593 HydrophobicContact CD2-CB 4.38Å; L33-N593 VanDerWaalsContact CD2-CG 3.43Å; L33-N593 WeakPolarHBondContact CD2-ND2 3.4Å; L33-N593 VanDerWaalsContact CD2-OD1 3.24Å; L33-N593 WeakPolarHBondContact CD2-OD1 3.41Å; L33-N593 WeakPolarHBondContact O-CB 3.09Å; L33-W594 HydrophobicContact CB-CB 4.11Å; L33-W594 HydrophobicContact CB-CG 4.21Å; L33-W594 WeakPolarHBondContact O-CB 3.31Å; L33-W594 PolarHBondContact O-N 3.34Å
34	I	90.5	Very high	87.4	Confident	70 Å²	70	60 Å²	60	36%	0.359	32%	0.316	S	S	.	.	H	α-helix	trans	-12.4	-25.9	-173.5	-71.8	-84.6	0	0	0	121.6	Y30 K31 A36 W594	Y30-I34 HydrophobicContact CD1-CG1 4.25Å; Y30-I34 HydrophobicContact CE1-CD1 4.04Å; Y30-I34 HydrophobicContact CE1-CG1 4.2Å; Y30-I34 WeakPolarHBondContact O-CG1 3.15Å; Y30-I34 PolarHBondContact O-N 2.93Å; K31-I34 HydrophobicContact CG-CG1 4.37Å; K31-I34 WeakPolarHBondContact O-CB 3.48Å; K31-I34 PolarHBondContact O-N 2.82Å; I34-A36 PolarHBondContact O-N 3.24Å; I34-W594 HydrophobicContact CB-CE3 4.46Å; I34-W594 HydrophobicContact CD1-CD2 4.27Å; I34-W594 HydrophobicContact CD1-CE3 3.93Å; I34-W594 HydrophobicContact CD1-CH2 3.69Å; I34-W594 HydrophobicContact CD1-CZ2 3.97Å; I34-W594 HydrophobicContact CD1-CZ3 3.67Å
35	E	89.8	Confident	89	Confident	138 Å²	138	56.7 Å²	56.7	65%	0.645	29%	0.293	S	S	*	.	S	Bend	trans	-99.9	53.1	-158.9	-61.7	170.8	163.6	0	0	115	L33	L33-E35 PolarHBondContact O-N 3.22Å
36	A	87.5	Confident	89.8	Confident	55 Å²	55	51.3 Å²	51.3	46%	0.455	26%	0.26	S	S	.	.	S	Bend	trans	67.9	111.8	170.4	0	0	0	0	0	118.4	I34 R69 N593 W594	I34-A36 PolarHBondContact O-N 3.24Å; A36-R69 VanDerWaalsContact O-CZ 3.27Å; A36-R69 PolarHBondContact O-NH1 3.36Å; A36-R69 PolarHBondContact O-NH2 2.8Å; A36-N593 CarbonylContact C-O 3.5Å; A36-N593 VanDerWaalsContact C-O 3.23Å; A36-N593 CarbonylContact O-C 3.6Å; A36-W594 WeakPolarHBondContact CA-O 3.46Å; A36-W594 PolarHBondContact N-O 3.48Å
37	G	89.5	Confident	90.3	Very high	23 Å²	23	48.3 Å²	48.3	24%	0.237	25%	0.246	C	C	.	.			cis	-155.3	37.5	13.7	0	0	0	0	0	118.4	N593 W594	G37-N593 CarbonylContact C-O 3.57Å; G37-N593 WeakPolarHBondContact CA-O 3.29Å; G37-N593 PolarHBondContact N-O 3.46Å; G37-W594 WeakPolarHBondContact CA-O 3.45Å
38	L	91.3	Very high	90.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-59.1	118.1	162.1	-75.6	-155.6	0	0	0	111.4	V42 A43 L46 I65 L68 R69 N593 W594 G595	L38-V42 HydrophobicContact CD1-CG1 4.32Å; L38-A43 HydrophobicContact CB-CB 4.28Å; L38-A43 HydrophobicContact CD1-CB 4.08Å; L38-L46 HydrophobicContact CD1-CD2 4.28Å; L38-I65 HydrophobicContact CD1-CG2 3.86Å; L38-I65 HydrophobicContact CD2-CG2 4.12Å; L38-I65 WeakPolarHBondContact CD2-O 3.41Å; L38-I65 HydrophobicContact CG-CG2 3.83Å; L38-L68 HydrophobicContact CD1-CB 4.38Å; L38-L68 HydrophobicContact CD1-CD1 4.24Å; L38-L68 HydrophobicContact CD2-CB 3.48Å; L38-L68 VanDerWaalsContact CD2-CB 3.48Å; L38-R69 HydrophobicContact CD2-CB 3.77Å; L38-N593 VanDerWaalsContact CD1-OD1 3.25Å; L38-N593 WeakPolarHBondContact CD1-OD1 3.29Å; L38-N593 PolarHBondContact N-O 2.67Å; L38-W594 CarbonylContact O-C 3.6Å; L38-W594 VanDerWaalsContact O-CA 3.31Å; L38-W594 WeakPolarHBondContact O-CA 3.5Å; L38-G595 PolarHBondContact O-N 2.58Å
39	P	92.4	Very high	91	Very high	22 Å²	22	41.7 Å²	41.7	14%	0.143	21%	0.212	C	C	.	.			trans	-45.9	142.9	-179.5	-30.5	35.8	0	0	0	115.2	K41 V42 A43 E73	P39-K41 VanDerWaalsContact C-N 3.35Å; P39-K41 PolarHBondContact O-N 3.49Å; P39-V42 HydrophobicContact CB-CB 4.26Å; P39-V42 HydrophobicContact CB-CG2 3.91Å; P39-V42 HydrophobicContact CG-CG2 4.22Å; P39-V42 WeakPolarHBondContact O-CA 3.24Å; P39-V42 VanDerWaalsContact O-CB 3.27Å; P39-V42 WeakPolarHBondContact O-CB 3.43Å; P39-V42 PolarHBondContact O-N 3.24Å; P39-A43 PolarHBondContact O-N 3.37Å; P39-A43 VanDerWaalsContact O-N 3.13Å; P39-E73 HydrophobicContact CB-CB 4.25Å; P39-E73 HydrophobicContact CB-CG 3.79Å; P39-E73 HydrophobicContact CG-CB 4.26Å; P39-E73 HydrophobicContact CG-CG 4.31Å
40	Q	91.7	Very high	91.3	Very high	47 Å²	47	39.5 Å²	39.5	22%	0.22	20%	0.202	C	C	.	.	H	α-helix	trans	-49.9	-51.6	-175.4	167.3	165.4	2.9	0	0	112.4	V42 A43 E44 W594 S596	Q40-V42 VanDerWaalsContact C-N 3.28Å; Q40-V42 PolarHBondContact O-N 3.34Å; Q40-A43 PolarHBondContact O-N 3.41Å; Q40-A43 VanDerWaalsContact O-N 3.08Å; Q40-E44 HydrophobicContact CG-CG 4.01Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.35Å; Q40-E44 WeakPolarHBondContact CG-OE2 3.43Å; Q40-E44 PolarHBondContact NE2-OE1 2.9Å; Q40-E44 WeakPolarHBondContact O-CB 3.28Å; Q40-E44 VanDerWaalsContact O-CG 3.31Å; Q40-E44 WeakPolarHBondContact O-CG 3.24Å; Q40-E44 PolarHBondContact O-N 3.28Å; Q40-W594 HydrophobicContact CB-CH2 4.01Å; Q40-W594 HydrophobicContact CB-CZ2 3.46Å; Q40-W594 VanDerWaalsContact CB-CZ2 3.46Å; Q40-W594 HydrophobicContact CG-CH2 4.15Å; Q40-W594 HydrophobicContact CG-CZ2 3.5Å; Q40-W594 VanDerWaalsContact CG-CZ2 3.5Å; Q40-S596 VanDerWaalsContact CB-CA 3.44Å
41	K	93.2	Very high	91.4	Very high	57 Å²	57	42.6 Å²	42.6	25%	0.248	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-39.8	177.7	-56.3	-169	-150.5	76	0	112.5	P39 A43 E44 R45 E73 L77 Q597	P39-K41 VanDerWaalsContact C-N 3.35Å; P39-K41 PolarHBondContact O-N 3.49Å; K41-A43 PolarHBondContact O-N 2.78Å; K41-E44 WeakPolarHBondContact CA-OE2 3.49Å; K41-R45 WeakPolarHBondContact O-CB 3.42Å; K41-R45 PolarHBondContact O-N 2.62Å; K41-E73 WeakPolarHBondContact CB-OE1 3.27Å; K41-E73 VanDerWaalsContact CG-OE1 3.29Å; K41-E73 WeakPolarHBondContact CG-OE1 3.28Å; K41-E73 IonicContact NZ-OE1 3.65Å; K41-E73 PolarHBondContact NZ-OE1 3.28Å; K41-E73 IonicContact NZ-OE2 3.89Å; K41-E73 PolarHBondContact NZ-OE2 3.31Å; K41-L77 HydrophobicContact CB-CD1 4.14Å; K41-L77 HydrophobicContact CB-CD2 4.25Å; K41-L77 HydrophobicContact CD-CD1 4.44Å; K41-Q597 PolarHBondContact NZ-O 2.8Å
42	V	93.9	Very high	91.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60	-36.3	179.5	171.5	0	0	0	0	110.9	L38 P39 Q40 L46 E73 A76 L77 L80	L38-V42 HydrophobicContact CD1-CG1 4.32Å; P39-V42 HydrophobicContact CB-CB 4.26Å; P39-V42 HydrophobicContact CB-CG2 3.91Å; P39-V42 HydrophobicContact CG-CG2 4.22Å; P39-V42 WeakPolarHBondContact O-CA 3.24Å; P39-V42 VanDerWaalsContact O-CB 3.27Å; P39-V42 WeakPolarHBondContact O-CB 3.43Å; P39-V42 PolarHBondContact O-N 3.24Å; Q40-V42 VanDerWaalsContact C-N 3.28Å; Q40-V42 PolarHBondContact O-N 3.34Å; V42-L46 PolarHBondContact O-N 2.76Å; V42-E73 HydrophobicContact CG2-CG 3.89Å; V42-A76 HydrophobicContact CB-CB 4.24Å; V42-A76 HydrophobicContact CG1-CB 3.65Å; V42-A76 HydrophobicContact CG2-CB 3.47Å; V42-A76 VanDerWaalsContact CG2-CB 3.47Å; V42-L77 HydrophobicContact CG2-CD2 4.49Å; V42-L77 HydrophobicContact CG2-CG 4.12Å; V42-L80 HydrophobicContact CG1-CD1 3.8Å; V42-L80 WeakPolarHBondContact O-CD1 3.16Å
43	A	93.4	Very high	91.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-101.7	-21.2	-175.5	0	0	0	0	0	114.7	L33 L38 P39 Q40 K41 L46 D47 W594	L33-A43 HydrophobicContact CB-CB 4.21Å; L33-A43 HydrophobicContact CD1-CB 3.64Å; L33-A43 WeakPolarHBondContact CD1-O 3.36Å; L33-A43 HydrophobicContact CD2-CB 4.43Å; L33-A43 HydrophobicContact CG-CB 4.29Å; L38-A43 HydrophobicContact CB-CB 4.28Å; L38-A43 HydrophobicContact CD1-CB 4.08Å; P39-A43 PolarHBondContact O-N 3.37Å; P39-A43 VanDerWaalsContact O-N 3.13Å; Q40-A43 PolarHBondContact O-N 3.41Å; Q40-A43 VanDerWaalsContact O-N 3.08Å; K41-A43 PolarHBondContact O-N 2.78Å; A43-L46 PolarHBondContact O-N 2.79Å; A43-D47 WeakPolarHBondContact O-CB 3.38Å; A43-D47 PolarHBondContact O-N 3.14Å; A43-W594 HydrophobicContact CB-CG 4.48Å
44	E	93.8	Very high	91.3	Very high	54 Å²	54	42.1 Å²	42.1	25%	0.252	24%	0.236	S	C	.	.	H	α-helix	trans	-55	-47.3	153.9	-70.3	166.4	160.1	0	0	108.6	Y30 Q40 K41 L46 D47 E48	Y30-E44 HydrophobicContact CE2-CG 3.83Å; Q40-E44 HydrophobicContact CG-CG 4.01Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.35Å; Q40-E44 WeakPolarHBondContact CG-OE2 3.43Å; Q40-E44 PolarHBondContact NE2-OE1 2.9Å; Q40-E44 WeakPolarHBondContact O-CB 3.28Å; Q40-E44 VanDerWaalsContact O-CG 3.31Å; Q40-E44 WeakPolarHBondContact O-CG 3.24Å; Q40-E44 PolarHBondContact O-N 3.28Å; K41-E44 WeakPolarHBondContact CA-OE2 3.49Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 2.7Å; E44-D47 PolarHBondContact O-N 3.18Å; E44-E48 WeakPolarHBondContact O-CG 2.95Å; E44-E48 PolarHBondContact O-N 3.12Å
45	R	92.9	Very high	91.2	Very high	30 Å²	30	38.9 Å²	38.9	11%	0.113	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-30.2	176.8	-166.2	74.5	-169.8	91.5	-4.8	113.9	K41 E48 I49 L77 L80 K84	K41-R45 WeakPolarHBondContact O-CB 3.42Å; K41-R45 PolarHBondContact O-N 2.62Å; R45-E48 IonicContact CZ-OE2 3.43Å; R45-E48 IonicContact NE-OE2 3.92Å; R45-E48 IonicContact NH1-OE2 2.67Å; R45-E48 PolarHBondContact NH1-OE2 2.98Å; R45-I49 WeakPolarHBondContact O-CD1 3.34Å; R45-I49 VanDerWaalsContact O-CG1 3.3Å; R45-I49 WeakPolarHBondContact O-CG1 3.4Å; R45-I49 PolarHBondContact O-N 2.58Å; R45-L77 HydrophobicContact CB-CD2 3.64Å; R45-L77 HydrophobicContact CG-CD2 3.8Å; R45-L80 HydrophobicContact CB-CD1 4.36Å; R45-L80 HydrophobicContact CG-CB 4.21Å; R45-L80 HydrophobicContact CG-CD1 4.48Å; R45-K84 VanDerWaalsContact NH1-NZ 3.18Å; R45-K84 VanDerWaalsContact NH2-CD 3.28Å
46	L	93.2	Very high	91.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-77.1	-39.5	173.7	-176.1	57.1	0	0	0	111.8	L33 L38 V42 A43 E44 I49 F50 L60 I65 L68 L80	L33-L46 HydrophobicContact CD2-CD2 4.34Å; L38-L46 HydrophobicContact CD1-CD2 4.28Å; V42-L46 PolarHBondContact O-N 2.76Å; A43-L46 PolarHBondContact O-N 2.79Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 2.7Å; L46-I49 WeakPolarHBondContact O-CA 3.44Å; L46-I49 WeakPolarHBondContact O-CB 3.26Å; L46-I49 PolarHBondContact O-N 2.9Å; L46-F50 HydrophobicContact CD1-CE1 3.91Å; L46-F50 HydrophobicContact CD1-CZ 3.97Å; L46-F50 HydrophobicContact CD2-CE2 4.5Å; L46-F50 HydrophobicContact CD2-CZ 4.08Å; L46-F50 HydrophobicContact CG-CE1 4.15Å; L46-F50 HydrophobicContact CG-CE2 4.05Å; L46-F50 HydrophobicContact CG-CZ 3.72Å; L46-F50 PolarHBondContact O-N 3.41Å; L46-L60 HydrophobicContact CD1-CD1 3.91Å; L46-L60 HydrophobicContact CD2-CD1 4.43Å; L46-I65 HydrophobicContact CD2-CD1 4.3Å; L46-L68 HydrophobicContact CD2-CD1 4.29Å; L46-L80 HydrophobicContact CB-CD1 4.17Å; L46-L80 HydrophobicContact CD1-CD2 3.95Å
47	D	92.5	Very high	91.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-42.2	174.1	-172.3	71.3	0	0	0	111.2	H26 T27 Y30 L33 A43 E44 I49 F50 Q51	H26-D47 VanDerWaalsContact CA-OD2 3.24Å; H26-D47 WeakPolarHBondContact CA-OD2 3.44Å; H26-D47 IonicContact CG-OD2 2.76Å; H26-D47 IonicContact ND1-OD2 2.67Å; H26-D47 PolarHBondContact ND1-OD2 3.26Å; T27-D47 VanDerWaalsContact CB-OD1 3.25Å; T27-D47 WeakPolarHBondContact CB-OD1 3.36Å; T27-D47 WeakPolarHBondContact CG2-OD1 3.25Å; T27-D47 PolarHBondContact N-OD1 3.41Å; T27-D47 PolarHBondContact N-OD2 2.71Å; T27-D47 PolarHBondContact OG1-OD1 3.33Å; Y30-D47 HydrophobicContact CD2-CB 4.13Å; L33-D47 HydrophobicContact CD1-CB 4.05Å; A43-D47 WeakPolarHBondContact O-CB 3.38Å; A43-D47 PolarHBondContact O-N 3.14Å; E44-D47 PolarHBondContact O-N 3.18Å; D47-I49 PolarHBondContact O-N 2.76Å; D47-F50 CarbonylContact O-C 3.59Å; D47-F50 WeakPolarHBondContact O-CA 3.33Å; D47-F50 WeakPolarHBondContact O-CB 3.42Å; D47-F50 PolarHBondContact O-N 3.15Å; D47-Q51 WeakPolarHBondContact O-CG 3.09Å; D47-Q51 PolarHBondContact O-N 3.36Å; D47-Q51 PolarHBondContact OD2-NE2 3.19Å
48	E	92.2	Very high	91.3	Very high	77 Å²	77	36.9 Å²	36.9	36%	0.36	21%	0.209	S	C	.	.	H	α-helix	trans	-53.8	-39.3	167.8	-77.5	176.9	-129.3	0	0	112.7	E44 R45 Q51 T52 K84	E44-E48 WeakPolarHBondContact O-CG 2.95Å; E44-E48 PolarHBondContact O-N 3.12Å; R45-E48 IonicContact CZ-OE2 3.43Å; R45-E48 IonicContact NE-OE2 3.92Å; R45-E48 IonicContact NH1-OE2 2.67Å; R45-E48 PolarHBondContact NH1-OE2 2.98Å; E48-Q51 PolarHBondContact O-N 2.93Å; E48-T52 WeakPolarHBondContact O-CG2 3.23Å; E48-T52 PolarHBondContact O-N 2.94Å; E48-K84 IonicContact OE2-NZ 2.73Å
49	I	91.7	Very high	91.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-70	-37.2	178.5	-69.6	164.3	0	0	0	109.9	R45 L46 D47 T52 V55 L80 K84	R45-I49 WeakPolarHBondContact O-CD1 3.34Å; R45-I49 VanDerWaalsContact O-CG1 3.3Å; R45-I49 WeakPolarHBondContact O-CG1 3.4Å; R45-I49 PolarHBondContact O-N 2.58Å; L46-I49 WeakPolarHBondContact O-CA 3.44Å; L46-I49 WeakPolarHBondContact O-CB 3.26Å; L46-I49 PolarHBondContact O-N 2.9Å; D47-I49 PolarHBondContact O-N 2.76Å; I49-T52 PolarHBondContact O-N 3.42Å; I49-T52 PolarHBondContact O-OG1 2.89Å; I49-V55 HydrophobicContact CG2-CB 4.09Å; I49-V55 HydrophobicContact CG2-CG2 3.79Å; I49-L80 HydrophobicContact CD1-CB 3.94Å; I49-L80 HydrophobicContact CD1-CD2 4.13Å; I49-L80 WeakPolarHBondContact CD1-O 3.03Å; I49-K84 HydrophobicContact CD1-CB 4.09Å; I49-K84 HydrophobicContact CG1-CB 4.04Å; I49-K84 HydrophobicContact CG1-CD 3.99Å; I49-K84 HydrophobicContact CG1-CG 4.06Å
50	F	92.3	Very high	91.3	Very high	18 Å²	18	38.5 Å²	38.5	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-41.2	170.7	-58.4	-26.7	0	0	0	112.3	T27 H29 L46 D47 T52 G53 V55 Y57 L60	T27-F50 HydrophobicContact CG2-CB 4.3Å; H29-F50 HydrophobicContact CB-CE2 4.5Å; L46-F50 HydrophobicContact CD1-CE1 3.91Å; L46-F50 HydrophobicContact CD1-CZ 3.97Å; L46-F50 HydrophobicContact CD2-CE2 4.5Å; L46-F50 HydrophobicContact CD2-CZ 4.08Å; L46-F50 HydrophobicContact CG-CE1 4.15Å; L46-F50 HydrophobicContact CG-CE2 4.05Å; L46-F50 HydrophobicContact CG-CZ 3.72Å; L46-F50 PolarHBondContact O-N 3.41Å; D47-F50 CarbonylContact O-C 3.59Å; D47-F50 WeakPolarHBondContact O-CA 3.33Å; D47-F50 WeakPolarHBondContact O-CB 3.42Å; D47-F50 PolarHBondContact O-N 3.15Å; F50-T52 PolarHBondContact O-N 3.45Å; F50-G53 PolarHBondContact O-N 3.46Å; F50-V55 WeakPolarHBondContact CA-O 3.42Å; F50-V55 HydrophobicContact CD1-CB 4.29Å; F50-V55 HydrophobicContact CD1-CG1 4.35Å; F50-V55 WeakPolarHBondContact CD1-O 3.18Å; F50-V55 HydrophobicContact CE1-CG1 4.1Å; F50-Y57 AromaticContact CE2-CD2 3.88Å; F50-Y57 HydrophobicContact CE2-CD2 3.88Å; F50-Y57 HydrophobicContact CE2-CG 4.45Å; F50-Y57 HydrophobicContact CZ-CD2 4.02Å; F50-L60 HydrophobicContact CE1-CD1 3.87Å; F50-L60 HydrophobicContact CZ-CD1 4.03Å
51	Q	90.3	Very high	91.3	Very high	92 Å²	92	37.9 Å²	37.9	43%	0.43	22%	0.215	S	C	.	.	H	α-helix	trans	-61.1	-28.5	176.1	-67.4	171.9	32.4	0	0	113	T25 T27 D47 E48 G53	T25-Q51 PolarHBondContact O-NE2 3.45Å; T27-Q51 HydrophobicContact CG2-CG 3.78Å; D47-Q51 WeakPolarHBondContact O-CG 3.09Å; D47-Q51 PolarHBondContact O-N 3.36Å; D47-Q51 PolarHBondContact OD2-NE2 3.19Å; E48-Q51 PolarHBondContact O-N 2.93Å; Q51-G53 PolarHBondContact O-N 3.33Å
52	T	89.4	Confident	91.2	Very high	64 Å²	64	39.6 Å²	39.6	39%	0.393	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.4	173	67.3	0	0	0	0	114.7	E48 I49 F50 L54	E48-T52 WeakPolarHBondContact O-CG2 3.23Å; E48-T52 PolarHBondContact O-N 2.94Å; I49-T52 PolarHBondContact O-N 3.42Å; I49-T52 PolarHBondContact O-OG1 2.89Å; F50-T52 PolarHBondContact O-N 3.45Å; T52-L54 PolarHBondContact O-N 3.02Å; T52-L54 WeakPolarHBondContact OG1-CB 3.43Å; T52-L54 WeakPolarHBondContact OG1-CD1 3.47Å; T52-L54 WeakPolarHBondContact OG1-CG 3.45Å; T52-L54 PolarHBondContact OG1-N 2.87Å
53	G	88.5	Confident	91	Very high	61 Å²	61	48.2 Å²	48.2	63%	0.629	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	-4	-174.3	0	0	0	0	0	115.3	F50 Q51 V55	F50-G53 PolarHBondContact O-N 3.46Å; Q51-G53 PolarHBondContact O-N 3.33Å; G53-V55 PolarHBondContact O-N 3.1Å
54	L	86.5	Confident	91	Very high	76 Å²	76	48.2 Å²	48.2	40%	0.398	26%	0.256	S	S	.	.	S	Bend	trans	-61.4	-33.3	176.6	-67.7	174.2	0	0	0	112.3	T52 K84 K94	T52-L54 PolarHBondContact O-N 3.02Å; T52-L54 WeakPolarHBondContact OG1-CB 3.43Å; T52-L54 WeakPolarHBondContact OG1-CD1 3.47Å; T52-L54 WeakPolarHBondContact OG1-CG 3.45Å; T52-L54 PolarHBondContact OG1-N 2.87Å; L54-K84 HydrophobicContact CD1-CG 4.38Å; L54-K94 WeakPolarHBondContact O-CE 3.43Å; L54-K94 PolarHBondContact O-NZ 2.84Å
55	V	90.1	Very high	90.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	24%	0.244	C	C	.	.	S	Bend	trans	-139.7	135.5	-176	-170.9	0	0	0	0	108.1	I49 F50 G53 D59 L60 F83 L88 K94	I49-V55 HydrophobicContact CG2-CB 4.09Å; I49-V55 HydrophobicContact CG2-CG2 3.79Å; F50-V55 WeakPolarHBondContact CA-O 3.42Å; F50-V55 HydrophobicContact CD1-CB 4.29Å; F50-V55 HydrophobicContact CD1-CG1 4.35Å; F50-V55 WeakPolarHBondContact CD1-O 3.18Å; F50-V55 HydrophobicContact CE1-CG1 4.1Å; G53-V55 PolarHBondContact O-N 3.1Å; V55-D59 HydrophobicContact CG1-CB 4.12Å; V55-L60 HydrophobicContact CG1-CD1 4.3Å; V55-L60 HydrophobicContact CG1-CD2 4.07Å; V55-L60 HydrophobicContact CG1-CG 3.99Å; V55-F83 HydrophobicContact CG1-CE1 4.38Å; V55-F83 HydrophobicContact CG1-CZ 4.38Å; V55-F83 HydrophobicContact CG2-CE1 3.7Å; V55-F83 HydrophobicContact CG2-CZ 3.71Å; V55-L88 HydrophobicContact CG2-CD1 3.57Å; V55-K94 HydrophobicContact CB-CD 4.38Å; V55-K94 HydrophobicContact CG1-CD 4.16Å; V55-K94 HydrophobicContact CG2-CD 4.18Å
56	A	89.9	Confident	90.9	Very high	43 Å²	43	48 Å²	48	36%	0.355	26%	0.259	S	S	.	.			trans	-99	155.2	167.1	0	0	0	0	0	110.3	V58 D59	A56-V58 HydrophobicContact CB-CG2 3.87Å; A56-V58 PolarHBondContact O-N 3.04Å; A56-V58 VanDerWaalsContact O-N 3.16Å; A56-D59 PolarHBondContact N-OD2 2.95Å; A56-D59 VanDerWaalsContact O-CB 3.3Å; A56-D59 WeakPolarHBondContact O-CB 3.06Å; A56-D59 PolarHBondContact O-N 3.32Å
57	Y	88.1	Confident	90.8	Very high	20 Å²	20	49 Å²	49	8%	0.078	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-54.3	-34	174.3	177.1	-107	0	0	0	113	H29 T32 F50 D59 L60 Q591	H29-Y57 HydrophobicContact CB-CD1 4.47Å; H29-Y57 HydrophobicContact CB-CD2 3.93Å; H29-Y57 HydrophobicContact CB-CE2 4.45Å; H29-Y57 HydrophobicContact CB-CG 3.93Å; H29-Y57 WeakPolarHBondContact CD2-CB 3.43Å; H29-Y57 AromaticContact CD2-CG 3.95Å; H29-Y57 AromaticContact CE1-CD1 3.63Å; H29-Y57 VanDerWaalsContact CG-CB 3.47Å; H29-Y57 AromaticContact CG-CD1 3.81Å; H29-Y57 AromaticContact CG-CG 3.54Å; H29-Y57 AromaticContact ND1-CD1 3.34Å; H29-Y57 VanDerWaalsContact ND1-CD1 3.34Å; H29-Y57 WeakPolarHBondContact ND1-CD1 3.34Å; H29-Y57 AromaticContact ND1-CE1 3.87Å; H29-Y57 AromaticContact ND1-CG 3.6Å; T32-Y57 WeakPolarHBondContact CB-OH 3.17Å; T32-Y57 WeakPolarHBondContact CG2-OH 3.41Å; F50-Y57 AromaticContact CE2-CD2 3.88Å; F50-Y57 HydrophobicContact CE2-CD2 3.88Å; F50-Y57 HydrophobicContact CE2-CG 4.45Å; F50-Y57 HydrophobicContact CZ-CD2 4.02Å; Y57-D59 VanDerWaalsContact C-N 3.27Å; Y57-D59 PolarHBondContact O-N 3.46Å; Y57-L60 PolarHBondContact O-N 2.78Å; Y57-Q591 HydrophobicContact CE1-CB 4.27Å; Y57-Q591 HydrophobicContact CE1-CG 3.92Å; Y57-Q591 HydrophobicContact CE2-CG 4.15Å; Y57-Q591 VanDerWaalsContact OH-CB 3.22Å; Y57-Q591 WeakPolarHBondContact OH-CB 3.4Å; Y57-Q591 WeakPolarHBondContact OH-CG 3.46Å; Y57-Q591 PolarHBondContact OH-OE1 2.76Å
58	V	90.4	Very high	90.9	Very high	112 Å²	112	49 Å²	49	68%	0.679	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-71.4	-15.2	175.6	-62.1	0	0	0	0	114.5	A56 L60	A56-V58 HydrophobicContact CB-CG2 3.87Å; A56-V58 PolarHBondContact O-N 3.04Å; A56-V58 VanDerWaalsContact O-N 3.16Å; V58-L60 VanDerWaalsContact C-N 3.28Å
59	D	91.3	Very high	90.8	Very high	55 Å²	55	51 Å²	51	29%	0.294	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-80.8	-10.8	176	-59.2	-31.4	0	0	0	112.4	V55 A56 Y57 K94 S95	V55-D59 HydrophobicContact CG1-CB 4.12Å; A56-D59 PolarHBondContact N-OD2 2.95Å; A56-D59 VanDerWaalsContact O-CB 3.3Å; A56-D59 WeakPolarHBondContact O-CB 3.06Å; A56-D59 PolarHBondContact O-N 3.32Å; Y57-D59 VanDerWaalsContact C-N 3.27Å; Y57-D59 PolarHBondContact O-N 3.46Å; D59-K94 HydrophobicContact CB-CB 4.1Å; D59-K94 HydrophobicContact CB-CD 3.93Å; D59-K94 HydrophobicContact CB-CG 4.28Å; D59-K94 WeakPolarHBondContact OD2-CD 3.47Å; D59-K94 WeakPolarHBondContact OD2-CE 3.45Å; D59-K94 IonicContact OD2-NZ 2.72Å; D59-K94 PolarHBondContact OD2-NZ 3.47Å; D59-S95 WeakPolarHBondContact O-CB 3.38Å; D59-S95 PolarHBondContact O-N 2.58Å
60	L	92.7	Very high	90.8	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	30%	0.302	C	S	.	.	S	Bend	trans	-111.2	127.3	-179	-58.8	-171.8	0	0	0	110.9	L46 F50 V55 Y57 V58 F83 L98 N590 Q591	L46-L60 HydrophobicContact CD1-CD1 3.91Å; L46-L60 HydrophobicContact CD2-CD1 4.43Å; F50-L60 HydrophobicContact CE1-CD1 3.87Å; F50-L60 HydrophobicContact CZ-CD1 4.03Å; V55-L60 HydrophobicContact CG1-CD1 4.3Å; V55-L60 HydrophobicContact CG1-CD2 4.07Å; V55-L60 HydrophobicContact CG1-CG 3.99Å; Y57-L60 PolarHBondContact O-N 2.78Å; V58-L60 VanDerWaalsContact C-N 3.28Å; L60-F83 HydrophobicContact CD2-CZ 4.48Å; L60-L98 HydrophobicContact CD1-CD2 3.87Å; L60-L98 HydrophobicContact CD2-CD2 3.77Å; L60-L98 HydrophobicContact CG-CD2 4.49Å; L60-N590 PolarHBondContact O-ND2 3.1Å; L60-Q591 PolarHBondContact O-NE2 3.03Å; L60-Q591 VanDerWaalsContact O-NE2 3.1Å
61	D	91.7	Very high	90.7	Very high	34 Å²	34	57.7 Å²	57.7	18%	0.182	30%	0.302	C	S	.	.			trans	-93.5	164.9	-177.9	76.7	-19.9	0	0	0	113.1	R63 A64 S95 N590	D61-R63 PolarHBondContact O-N 3.4Å; D61-R63 IonicContact OD2-CZ 2.66Å; D61-R63 IonicContact OD2-NE 3.59Å; D61-R63 PolarHBondContact OD2-NE 3.29Å; D61-R63 IonicContact OD2-NH2 2.99Å; D61-R63 PolarHBondContact OD2-NH2 3.13Å; D61-A64 PolarHBondContact O-N 3.31Å; D61-A64 PolarHBondContact OD1-N 3.48Å; D61-S95 PolarHBondContact N-OG 3.39Å; D61-S95 PolarHBondContact OD1-OG 3.14Å; D61-N590 VanDerWaalsContact CA-OD1 3.28Å; D61-N590 WeakPolarHBondContact CA-OD1 3.43Å
62	E	90.8	Very high	90.8	Very high	92 Å²	92	57 Å²	57	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-46.9	-27.8	177.5	-77.4	174.5	-153.2	0	0	114	D66 N590 Q591 Q592	E62-D66 WeakPolarHBondContact O-CB 3.31Å; E62-D66 PolarHBondContact O-N 2.84Å; E62-N590 PolarHBondContact N-OD1 3.14Å; E62-N590 VanDerWaalsContact N-OD1 3.11Å; E62-Q591 PolarHBondContact OE1-N 3.05Å; E62-Q592 VanDerWaalsContact CA-OE1 3.29Å; E62-Q592 HydrophobicContact CG-CG 4.38Å; E62-Q592 PolarHBondContact O-NE2 2.96Å; E62-Q592 PolarHBondContact O-OE1 2.98Å
63	R	90	Very high	91	Very high	182 Å²	182	56.3 Å²	56.3	69%	0.687	29%	0.294	S	S	*	.	H	α-helix	trans	-82.8	-29.7	-176.3	-60.9	175.9	-64.6	-160.5	-2.4	113.3	D61 A67	D61-R63 PolarHBondContact O-N 3.4Å; D61-R63 IonicContact OD2-CZ 2.66Å; D61-R63 IonicContact OD2-NE 3.59Å; D61-R63 PolarHBondContact OD2-NE 3.29Å; D61-R63 IonicContact OD2-NH2 2.99Å; D61-R63 PolarHBondContact OD2-NH2 3.13Å; R63-A67 WeakPolarHBondContact O-CB 3.24Å; R63-A67 PolarHBondContact O-N 3.37Å
64	A	92.3	Very high	91.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-73.9	-40.1	176.3	0	0	0	0	0	111.6	D61 A67 L68 S95 L98 M102	D61-A64 PolarHBondContact O-N 3.31Å; D61-A64 PolarHBondContact OD1-N 3.48Å; A64-A67 PolarHBondContact O-N 2.86Å; A64-L68 PolarHBondContact O-N 3.37Å; A64-S95 WeakPolarHBondContact CB-OG 3.21Å; A64-L98 HydrophobicContact CB-CD2 4.37Å; A64-M102 HydrophobicContact CB-CE 4.28Å; A64-M102 WeakPolarHBondContact O-CE 3.49Å
65	I	92.7	Very high	91.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-74.5	-40.9	-179.6	-59.1	-158.4	0	0	0	111.4	L38 L46 A67 L68 R69 Q592 N593	L38-I65 HydrophobicContact CD1-CG2 3.86Å; L38-I65 HydrophobicContact CD2-CG2 4.12Å; L38-I65 WeakPolarHBondContact CD2-O 3.41Å; L38-I65 HydrophobicContact CG-CG2 3.83Å; L46-I65 HydrophobicContact CD2-CD1 4.3Å; I65-A67 PolarHBondContact O-N 2.93Å; I65-L68 PolarHBondContact O-N 3.47Å; I65-R69 PolarHBondContact O-N 3.34Å; I65-Q592 WeakPolarHBondContact CG2-O 3.48Å; I65-N593 WeakPolarHBondContact CD1-ND2 3.44Å; I65-N593 HydrophobicContact CG2-CB 4.37Å; I65-N593 WeakPolarHBondContact CG2-OD1 3.47Å
66	D	91.7	Very high	91.7	Very high	80 Å²	80	56.8 Å²	56.8	43%	0.428	28%	0.278	S	S	.	.	H	α-helix	trans	-58.6	-37.6	168.4	-92.9	-5.9	0	0	0	111.8	E62 R69 E70 Q592	E62-D66 WeakPolarHBondContact O-CB 3.31Å; E62-D66 PolarHBondContact O-N 2.84Å; D66-R69 WeakPolarHBondContact O-CB 3.3Å; D66-R69 PolarHBondContact O-N 3.5Å; D66-E70 PolarHBondContact O-N 3.41Å; D66-Q592 VanDerWaalsContact CG-NE2 3.29Å; D66-Q592 VanDerWaalsContact N-NE2 3.17Å; D66-Q592 PolarHBondContact OD1-NE2 3.17Å
67	A	92	Very high	91.9	Very high	21 Å²	21	56.9 Å²	56.9	17%	0.174	27%	0.272	C	S	.	.	H	α-helix	trans	-68.6	-34.5	176.8	0	0	0	0	0	113.2	R63 A64 I65 F71 M102 R106	R63-A67 WeakPolarHBondContact O-CB 3.24Å; R63-A67 PolarHBondContact O-N 3.37Å; A64-A67 PolarHBondContact O-N 2.86Å; I65-A67 PolarHBondContact O-N 2.93Å; A67-F71 WeakPolarHBondContact O-CD2 3.44Å; A67-F71 VanDerWaalsContact O-CE2 3.3Å; A67-F71 WeakPolarHBondContact O-CE2 3.49Å; A67-M102 HydrophobicContact CB-CE 4.07Å; A67-M102 HydrophobicContact CB-SD 3.52Å; A67-M102 VanDerWaalsContact CB-SD 3.52Å; A67-R106 PolarHBondContact O-NH2 2.77Å
68	L	93.5	Very high	92.1	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-37.6	171.1	-78	174.4	0	0	0	111.3	L38 L46 A64 I65 E70 F71 A76 V79 L80 L98 M102	L38-L68 HydrophobicContact CD1-CB 4.38Å; L38-L68 HydrophobicContact CD1-CD1 4.24Å; L38-L68 HydrophobicContact CD2-CB 3.48Å; L38-L68 VanDerWaalsContact CD2-CB 3.48Å; L46-L68 HydrophobicContact CD2-CD1 4.29Å; A64-L68 PolarHBondContact O-N 3.37Å; I65-L68 PolarHBondContact O-N 3.47Å; L68-E70 PolarHBondContact O-N 3.3Å; L68-F71 WeakPolarHBondContact O-CB 3.41Å; L68-F71 PolarHBondContact O-N 2.93Å; L68-F71 VanDerWaalsContact O-N 3.07Å; L68-A76 HydrophobicContact CD2-CB 4.43Å; L68-V79 HydrophobicContact CD2-CG1 4.08Å; L68-L80 HydrophobicContact CD1-CD2 4.21Å; L68-L80 HydrophobicContact CD2-CD2 4.38Å; L68-L80 HydrophobicContact CD2-CG 4.37Å; L68-L98 HydrophobicContact CD1-CD2 4.4Å; L68-M102 HydrophobicContact CD2-CE 3.94Å; L68-M102 HydrophobicContact CD2-CG 4.25Å; L68-M102 HydrophobicContact CD2-SD 3.91Å; L68-M102 HydrophobicContact CG-CE 3.72Å; L68-M102 HydrophobicContact CG-SD 3.99Å
69	R	90.7	Very high	92.3	Very high	117 Å²	117	52.7 Å²	52.7	44%	0.442	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-26.7	179.4	-170	-179.5	175.5	166.5	8	113.6	A36 L38 I65 D66 F71	A36-R69 VanDerWaalsContact O-CZ 3.27Å; A36-R69 PolarHBondContact O-NH1 3.36Å; A36-R69 PolarHBondContact O-NH2 2.8Å; L38-R69 HydrophobicContact CD2-CB 3.77Å; I65-R69 PolarHBondContact O-N 3.34Å; D66-R69 WeakPolarHBondContact O-CB 3.3Å; D66-R69 PolarHBondContact O-N 3.5Å; R69-F71 VanDerWaalsContact C-N 3.3Å; R69-F71 PolarHBondContact O-N 2.69Å
70	E	91.1	Very high	92.5	Very high	138 Å²	138	50.1 Å²	50.1	65%	0.645	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-8.9	175.3	-77.3	-173	158	0	0	114.4	D66 L68 R106	D66-E70 PolarHBondContact O-N 3.41Å; L68-E70 PolarHBondContact O-N 3.3Å; E70-R106 IonicContact OE2-CZ 3.94Å; E70-R106 VanDerWaalsContact OE2-CZ 3.22Å; E70-R106 IonicContact OE2-NH1 3.31Å; E70-R106 PolarHBondContact OE2-NH1 3.12Å; E70-R106 IonicContact OE2-NH2 3.17Å; E70-R106 PolarHBondContact OE2-NH2 3.43Å
71	F	92	Very high	92.5	Very high	21 Å²	21	53.6 Å²	53.6	9%	0.092	25%	0.254	C	S	.	.	S	Bend	trans	-87.2	159	-180	-78.5	-109	0	0	0	112.8	A67 L68 R69 A76 V79 M102 Y105 R106	A67-F71 WeakPolarHBondContact O-CD2 3.44Å; A67-F71 VanDerWaalsContact O-CE2 3.3Å; A67-F71 WeakPolarHBondContact O-CE2 3.49Å; L68-F71 WeakPolarHBondContact O-CB 3.41Å; L68-F71 PolarHBondContact O-N 2.93Å; L68-F71 VanDerWaalsContact O-N 3.07Å; R69-F71 VanDerWaalsContact C-N 3.3Å; R69-F71 PolarHBondContact O-N 2.69Å; F71-A76 HydrophobicContact CB-CB 3.84Å; F71-A76 HydrophobicContact CG-CB 4.47Å; F71-V79 HydrophobicContact CE1-CG2 3.84Å; F71-V79 HydrophobicContact CZ-CG2 4.15Å; F71-M102 HydrophobicContact CD2-CG 4.5Å; F71-M102 HydrophobicContact CD2-SD 4.3Å; F71-M102 HydrophobicContact CE2-CB 3.78Å; F71-M102 HydrophobicContact CE2-CG 3.48Å; F71-M102 VanDerWaalsContact CE2-CG 3.48Å; F71-M102 HydrophobicContact CE2-SD 3.53Å; F71-M102 VanDerWaalsContact CE2-SD 3.53Å; F71-M102 HydrophobicContact CZ-CB 3.55Å; F71-M102 HydrophobicContact CZ-CG 3.55Å; F71-M102 HydrophobicContact CZ-SD 4.23Å; F71-Y105 HydrophobicContact CD1-CD1 4.24Å; F71-Y105 HydrophobicContact CD1-CE1 4.41Å; F71-Y105 AromaticContact CE1-CD1 3.64Å; F71-Y105 HydrophobicContact CE1-CD1 3.64Å; F71-Y105 HydrophobicContact CE1-CE1 4.25Å; F71-Y105 HydrophobicContact CE1-CG 4.29Å; F71-R106 HydrophobicContact CE1-CG 3.78Å; F71-R106 HydrophobicContact CE2-CG 4.45Å; F71-R106 HydrophobicContact CZ-CG 3.6Å
72	N	92.4	Very high	92.4	Very high	79 Å²	79	54.1 Å²	54.1	42%	0.422	26%	0.255	S	S	.	.			trans	-65.5	152.7	154.9	60.9	-38.7	0	0	0	110.2	E74 G75 A76	N72-E74 VanDerWaalsContact C-N 3.34Å; N72-E74 PolarHBondContact O-N 2.77Å; N72-G75 PolarHBondContact O-N 3.29Å; N72-G75 VanDerWaalsContact O-N 3.14Å; N72-G75 PolarHBondContact OD1-N 2.94Å; N72-A76 PolarHBondContact O-N 2.84Å
73	E	92.6	Very high	92.5	Very high	49 Å²	49	49.7 Å²	49.7	23%	0.229	23%	0.234	C	C	.	.	H	α-helix	trans	-55.3	-46.7	-176.3	-169.5	179.5	-145.3	0	0	112.8	P39 K41 V42 G75 A76 L77	P39-E73 HydrophobicContact CB-CB 4.25Å; P39-E73 HydrophobicContact CB-CG 3.79Å; P39-E73 HydrophobicContact CG-CB 4.26Å; P39-E73 HydrophobicContact CG-CG 4.31Å; K41-E73 WeakPolarHBondContact CB-OE1 3.27Å; K41-E73 VanDerWaalsContact CG-OE1 3.29Å; K41-E73 WeakPolarHBondContact CG-OE1 3.28Å; K41-E73 IonicContact NZ-OE1 3.65Å; K41-E73 PolarHBondContact NZ-OE1 3.28Å; K41-E73 IonicContact NZ-OE2 3.89Å; K41-E73 PolarHBondContact NZ-OE2 3.31Å; V42-E73 HydrophobicContact CG2-CG 3.89Å; E73-G75 PolarHBondContact O-N 2.95Å; E73-A76 PolarHBondContact O-N 2.84Å; E73-L77 HydrophobicContact CG-CD1 4.13Å; E73-L77 WeakPolarHBondContact O-CB 3.32Å; E73-L77 VanDerWaalsContact O-CG 3.29Å; E73-L77 WeakPolarHBondContact O-CG 3.32Å; E73-L77 PolarHBondContact O-N 2.87Å
74	E	92.3	Very high	92.5	Very high	147 Å²	147	44 Å²	44	69%	0.687	21%	0.214	S	C	*	.	H	α-helix	trans	-61	-42.2	178.1	-59.6	168.4	151	0	0	112.6	N72 L77 S78	N72-E74 VanDerWaalsContact C-N 3.34Å; N72-E74 PolarHBondContact O-N 2.77Å; E74-L77 PolarHBondContact O-N 2.94Å; E74-S78 WeakPolarHBondContact O-CB 3.43Å; E74-S78 PolarHBondContact O-N 2.8Å
75	G	92.7	Very high	92.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-70.9	-37.3	180	0	0	0	0	0	112.6	N72 E73 S78 V79 Y105	N72-G75 PolarHBondContact O-N 3.29Å; N72-G75 VanDerWaalsContact O-N 3.14Å; N72-G75 PolarHBondContact OD1-N 2.94Å; E73-G75 PolarHBondContact O-N 2.95Å; G75-S78 PolarHBondContact O-N 2.81Å; G75-V79 WeakPolarHBondContact O-CB 3.3Å; G75-V79 VanDerWaalsContact O-CG2 3.29Å; G75-V79 WeakPolarHBondContact O-CG2 2.95Å; G75-V79 PolarHBondContact O-N 2.83Å; G75-Y105 WeakPolarHBondContact CA-OH 3.45Å
76	A	94.2	Very high	92.2	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-66.4	-42.2	171.6	0	0	0	0	0	112	V42 L68 F71 N72 E73 V79 L80	V42-A76 HydrophobicContact CB-CB 4.24Å; V42-A76 HydrophobicContact CG1-CB 3.65Å; V42-A76 HydrophobicContact CG2-CB 3.47Å; V42-A76 VanDerWaalsContact CG2-CB 3.47Å; L68-A76 HydrophobicContact CD2-CB 4.43Å; F71-A76 HydrophobicContact CB-CB 3.84Å; F71-A76 HydrophobicContact CG-CB 4.47Å; N72-A76 PolarHBondContact O-N 2.84Å; E73-A76 PolarHBondContact O-N 2.84Å; A76-V79 PolarHBondContact O-N 3.1Å; A76-L80 WeakPolarHBondContact O-CB 3.12Å; A76-L80 WeakPolarHBondContact O-CG 3.22Å; A76-L80 PolarHBondContact O-N 2.67Å
77	L	94.9	Very high	91.9	Very high	46 Å²	46	50.9 Å²	50.9	24%	0.241	25%	0.25	C	C	.	.	H	α-helix	trans	-61.1	-43.1	173.6	-74.3	170	0	0	0	111.8	K41 V42 R45 E73 E74 L80 Q81	K41-L77 HydrophobicContact CB-CD1 4.14Å; K41-L77 HydrophobicContact CB-CD2 4.25Å; K41-L77 HydrophobicContact CD-CD1 4.44Å; V42-L77 HydrophobicContact CG2-CD2 4.49Å; V42-L77 HydrophobicContact CG2-CG 4.12Å; R45-L77 HydrophobicContact CB-CD2 3.64Å; R45-L77 HydrophobicContact CG-CD2 3.8Å; E73-L77 HydrophobicContact CG-CD1 4.13Å; E73-L77 WeakPolarHBondContact O-CB 3.32Å; E73-L77 VanDerWaalsContact O-CG 3.29Å; E73-L77 WeakPolarHBondContact O-CG 3.32Å; E73-L77 PolarHBondContact O-N 2.87Å; E74-L77 PolarHBondContact O-N 2.94Å; L77-L80 PolarHBondContact O-N 2.96Å; L77-Q81 WeakPolarHBondContact O-CB 3.26Å; L77-Q81 PolarHBondContact O-N 3.3Å
78	S	92.9	Very high	91.7	Very high	44 Å²	44	50.6 Å²	50.6	31%	0.308	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-39.2	176.7	-170.6	0	0	0	0	112.7	E74 G75 Q81 Q82	E74-S78 WeakPolarHBondContact O-CB 3.43Å; E74-S78 PolarHBondContact O-N 2.8Å; G75-S78 PolarHBondContact O-N 2.81Å; S78-Q81 PolarHBondContact O-N 2.84Å; S78-Q82 WeakPolarHBondContact O-CG 3.48Å; S78-Q82 PolarHBondContact O-N 2.8Å; S78-Q82 PolarHBondContact O-NE2 2.84Å; S78-Q82 PolarHBondContact OG-NE2 3.05Å
79	V	93.9	Very high	91.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-45.2	171.5	159.4	0	0	0	0	111.4	L68 F71 G75 A76 Q82 F83 L98 V101 M102 Y105	L68-V79 HydrophobicContact CD2-CG1 4.08Å; F71-V79 HydrophobicContact CE1-CG2 3.84Å; F71-V79 HydrophobicContact CZ-CG2 4.15Å; G75-V79 WeakPolarHBondContact O-CB 3.3Å; G75-V79 VanDerWaalsContact O-CG2 3.29Å; G75-V79 WeakPolarHBondContact O-CG2 2.95Å; G75-V79 PolarHBondContact O-N 2.83Å; A76-V79 PolarHBondContact O-N 3.1Å; V79-Q82 PolarHBondContact O-N 2.84Å; V79-F83 VanDerWaalsContact O-CB 3.29Å; V79-F83 WeakPolarHBondContact O-CB 3.39Å; V79-F83 PolarHBondContact O-N 2.72Å; V79-L98 HydrophobicContact CG1-CD1 3.8Å; V79-V101 HydrophobicContact CG1-CG1 4.13Å; V79-M102 HydrophobicContact CB-CG 4.49Å; V79-M102 HydrophobicContact CG1-CG 3.57Å; V79-M102 HydrophobicContact CG2-CG 4.21Å; V79-Y105 HydrophobicContact CG2-CD1 4.45Å; V79-Y105 HydrophobicContact CG2-CD2 4.17Å; V79-Y105 HydrophobicContact CG2-CG 3.83Å
80	L	95.1	Very high	91.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-71	-33.1	-179.3	-71.1	175.9	0	0	0	112.5	V42 R45 L46 I49 L68 A76 L77 F83 K84 L98	V42-L80 HydrophobicContact CG1-CD1 3.8Å; V42-L80 WeakPolarHBondContact O-CD1 3.16Å; R45-L80 HydrophobicContact CB-CD1 4.36Å; R45-L80 HydrophobicContact CG-CB 4.21Å; R45-L80 HydrophobicContact CG-CD1 4.48Å; L46-L80 HydrophobicContact CB-CD1 4.17Å; L46-L80 HydrophobicContact CD1-CD2 3.95Å; I49-L80 HydrophobicContact CD1-CB 3.94Å; I49-L80 HydrophobicContact CD1-CD2 4.13Å; I49-L80 WeakPolarHBondContact CD1-O 3.03Å; L68-L80 HydrophobicContact CD1-CD2 4.21Å; L68-L80 HydrophobicContact CD2-CD2 4.38Å; L68-L80 HydrophobicContact CD2-CG 4.37Å; A76-L80 WeakPolarHBondContact O-CB 3.12Å; A76-L80 WeakPolarHBondContact O-CG 3.22Å; A76-L80 PolarHBondContact O-N 2.67Å; L77-L80 PolarHBondContact O-N 2.96Å; L80-F83 HydrophobicContact CD2-CD1 4.38Å; L80-F83 PolarHBondContact O-N 3.28Å; L80-K84 WeakPolarHBondContact O-CB 3.37Å; L80-K84 PolarHBondContact O-N 2.88Å; L80-L98 HydrophobicContact CD2-CD1 4.2Å
81	Q	93.1	Very high	91.5	Very high	75 Å²	75	45.5 Å²	45.5	35%	0.35	24%	0.237	S	C	.	.	H	α-helix	trans	-59.8	-55.6	169.9	-171.1	66.5	27.6	0	0	110.5	L77 S78 F83 K84 E85	L77-Q81 WeakPolarHBondContact O-CB 3.26Å; L77-Q81 PolarHBondContact O-N 3.3Å; S78-Q81 PolarHBondContact O-N 2.84Å; Q81-F83 PolarHBondContact O-N 3.34Å; Q81-K84 PolarHBondContact O-N 3.36Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.28Å; Q81-E85 PolarHBondContact NE2-OE1 3.35Å; Q81-E85 WeakPolarHBondContact O-CG 3.28Å; Q81-E85 PolarHBondContact O-N 2.89Å
82	Q	90.1	Very high	91.4	Very high	44 Å²	44	50.9 Å²	50.9	21%	0.206	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-33.4	177.5	-71	169	42.4	0	0	112.7	S78 V79 S86 V101	S78-Q82 WeakPolarHBondContact O-CG 3.48Å; S78-Q82 PolarHBondContact O-N 2.8Å; S78-Q82 PolarHBondContact O-NE2 2.84Å; S78-Q82 PolarHBondContact OG-NE2 3.05Å; V79-Q82 PolarHBondContact O-N 2.84Å; Q82-S86 WeakPolarHBondContact O-CB 3.5Å; Q82-S86 PolarHBondContact O-N 2.66Å; Q82-S86 PolarHBondContact O-OG 2.72Å; Q82-V101 HydrophobicContact CB-CG1 3.94Å
83	F	92.3	Very high	91.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-73.3	-33.9	176.8	-179.3	-126.9	0	0	0	113	V55 L60 V79 L80 Q81 L88 K94 F97 L98	V55-F83 HydrophobicContact CG1-CE1 4.38Å; V55-F83 HydrophobicContact CG1-CZ 4.38Å; V55-F83 HydrophobicContact CG2-CE1 3.7Å; V55-F83 HydrophobicContact CG2-CZ 3.71Å; L60-F83 HydrophobicContact CD2-CZ 4.48Å; V79-F83 VanDerWaalsContact O-CB 3.29Å; V79-F83 WeakPolarHBondContact O-CB 3.39Å; V79-F83 PolarHBondContact O-N 2.72Å; L80-F83 HydrophobicContact CD2-CD1 4.38Å; L80-F83 PolarHBondContact O-N 3.28Å; Q81-F83 PolarHBondContact O-N 3.34Å; F83-L88 HydrophobicContact CD2-CD1 4.27Å; F83-L88 HydrophobicContact CD2-CD2 4.07Å; F83-L88 HydrophobicContact CE2-CD1 3.74Å; F83-L88 HydrophobicContact CE2-CD2 3.75Å; F83-L88 HydrophobicContact CE2-CG 4.42Å; F83-L88 HydrophobicContact CZ-CD1 3.93Å; F83-K94 HydrophobicContact CZ-CB 4.32Å; F83-F97 AromaticContact CD2-CD1 3.84Å; F83-F97 HydrophobicContact CD2-CD1 3.84Å; F83-F97 HydrophobicContact CD2-CE1 4.22Å; F83-F97 AromaticContact CE2-CD1 3.91Å; F83-F97 HydrophobicContact CE2-CD1 3.91Å; F83-L98 HydrophobicContact CB-CD1 4.08Å; F83-L98 HydrophobicContact CD1-CB 4.48Å; F83-L98 HydrophobicContact CD1-CD1 3.79Å; F83-L98 HydrophobicContact CD1-CD2 4.23Å; F83-L98 HydrophobicContact CD1-CG 4.36Å; F83-L98 HydrophobicContact CD2-CB 4.14Å; F83-L98 HydrophobicContact CD2-CD1 4.27Å; F83-L98 HydrophobicContact CE1-CB 4.18Å; F83-L98 HydrophobicContact CE1-CD1 4.22Å; F83-L98 HydrophobicContact CE1-CD2 3.89Å; F83-L98 HydrophobicContact CE1-CG 4.3Å; F83-L98 HydrophobicContact CE2-CB 3.84Å; F83-L98 HydrophobicContact CG-CB 4.45Å; F83-L98 HydrophobicContact CG-CD1 3.8Å; F83-L98 HydrophobicContact CZ-CB 3.86Å; F83-L98 HydrophobicContact CZ-CD2 4.31Å; F83-L98 HydrophobicContact CZ-CG 4.47Å
84	K	90.4	Very high	91.5	Very high	61 Å²	61	51.1 Å²	51.1	27%	0.265	26%	0.263	S	S	.	.	H	α-helix	trans	-72.7	-31.7	172.7	-167.3	-178.3	-169.1	171	0	112.4	R45 E48 I49 L54 L80 Q81	R45-K84 VanDerWaalsContact NH1-NZ 3.18Å; R45-K84 VanDerWaalsContact NH2-CD 3.28Å; E48-K84 IonicContact OE2-NZ 2.73Å; I49-K84 HydrophobicContact CD1-CB 4.09Å; I49-K84 HydrophobicContact CG1-CB 4.04Å; I49-K84 HydrophobicContact CG1-CD 3.99Å; I49-K84 HydrophobicContact CG1-CG 4.06Å; L54-K84 HydrophobicContact CD1-CG 4.38Å; L80-K84 WeakPolarHBondContact O-CB 3.37Å; L80-K84 PolarHBondContact O-N 2.88Å; Q81-K84 PolarHBondContact O-N 3.36Å
85	E	89.8	Confident	91.7	Very high	130 Å²	130	44.2 Å²	44.2	61%	0.607	23%	0.231	S	C	*	.	H	α-helix	trans	-83.4	-12.7	177.8	-68.8	164.7	166.9	0	0	113.3	Q81	Q81-E85 WeakPolarHBondContact CG-OE1 3.28Å; Q81-E85 PolarHBondContact NE2-OE1 3.35Å; Q81-E85 WeakPolarHBondContact O-CG 3.28Å; Q81-E85 PolarHBondContact O-N 2.89Å
86	S	88.3	Confident	91.6	Very high	36 Å²	36	47 Å²	47	25%	0.252	25%	0.254	S	S	.	.	S	Bend	trans	-75.6	140.1	176.4	-68.4	0	0	0	0	111.6	Q82 L88	Q82-S86 WeakPolarHBondContact O-CB 3.5Å; Q82-S86 PolarHBondContact O-N 2.66Å; Q82-S86 PolarHBondContact O-OG 2.72Å; S86-L88 PolarHBondContact O-N 3.33Å; S86-L88 VanDerWaalsContact O-N 3.12Å
87	D	85.9	Confident	91.6	Very high	59 Å²	59	47.7 Å²	47.7	32%	0.316	26%	0.257	S	S	.	.			trans	-62.4	112.7	163	169.5	33.9	0	0	0	110.1	S89 H90	D87-S89 WeakPolarHBondContact OD1-CB 3.32Å; D87-S89 PolarHBondContact OD1-N 3.08Å; D87-S89 PolarHBondContact OD1-OG 3.38Å; D87-S89 PolarHBondContact OD2-OG 2.87Å; D87-H90 IonicContact OD2-CD2 3.29Å
88	L	87.5	Confident	91.6	Very high	15 Å²	15	45.5 Å²	45.5	8%	0.079	25%	0.245	C	C	.	.			trans	-102.1	0.4	174.9	-57.3	-174	0	0	0	113.2	V55 F83 S86 H90 V91 F97	V55-L88 HydrophobicContact CG2-CD1 3.57Å; F83-L88 HydrophobicContact CD2-CD1 4.27Å; F83-L88 HydrophobicContact CD2-CD2 4.07Å; F83-L88 HydrophobicContact CE2-CD1 3.74Å; F83-L88 HydrophobicContact CE2-CD2 3.75Å; F83-L88 HydrophobicContact CE2-CG 4.42Å; F83-L88 HydrophobicContact CZ-CD1 3.93Å; S86-L88 PolarHBondContact O-N 3.33Å; S86-L88 VanDerWaalsContact O-N 3.12Å; L88-H90 PolarHBondContact O-N 3.26Å; L88-V91 HydrophobicContact CB-CG2 4.49Å; L88-V91 HydrophobicContact CD2-CB 4.4Å; L88-V91 HydrophobicContact CD2-CG2 3.98Å; L88-V91 PolarHBondContact O-N 3.4Å; L88-V91 VanDerWaalsContact O-N 3.14Å; L88-F97 HydrophobicContact CD2-CD1 3.9Å; L88-F97 HydrophobicContact CD2-CE1 3.89Å; L88-F97 HydrophobicContact CD2-CG 4.38Å; L88-F97 HydrophobicContact CD2-CZ 4.34Å
89	S	88.1	Confident	91.7	Very high	90 Å²	90	45.3 Å²	45.3	63%	0.629	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-31.6	-174.5	68.5	0	0	0	0	113.4	D87	D87-S89 WeakPolarHBondContact OD1-CB 3.32Å; D87-S89 PolarHBondContact OD1-N 3.08Å; D87-S89 PolarHBondContact OD1-OG 3.38Å; D87-S89 PolarHBondContact OD2-OG 2.87Å
90	H	90.4	Very high	91.6	Very high	47 Å²	47	45.8 Å²	45.8	22%	0.218	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	14.6	178.7	-64.7	-59	0	0	0	113.4	D87 L88 L131 L138 D139 V140	D87-H90 IonicContact OD2-CD2 3.29Å; L88-H90 PolarHBondContact O-N 3.26Å; H90-L131 WeakPolarHBondContact CE1-CD1 3.24Å; H90-L138 HydrophobicContact CB-CB 4.44Å; H90-L138 HydrophobicContact CB-CD2 4.25Å; H90-L138 HydrophobicContact CB-CG 4.11Å; H90-D139 CarbonylContact O-C 3.51Å; H90-D139 VanDerWaalsContact O-CA 3.32Å; H90-D139 WeakPolarHBondContact O-CA 3.33Å; H90-V140 HydrophobicContact CB-CB 4.22Å; H90-V140 HydrophobicContact CB-CG2 3.58Å; H90-V140 PolarHBondContact O-N 2.82Å
91	V	92.7	Very high	91.6	Very high	11 Å²	11	46.2 Å²	46.2	7%	0.067	25%	0.251	C	S	.	.			trans	-95.3	103.5	-176.8	176.6	0	0	0	0	110.4	L88 N93 K94 F97 V140	L88-V91 HydrophobicContact CB-CG2 4.49Å; L88-V91 HydrophobicContact CD2-CB 4.4Å; L88-V91 HydrophobicContact CD2-CG2 3.98Å; L88-V91 PolarHBondContact O-N 3.4Å; L88-V91 VanDerWaalsContact O-N 3.14Å; V91-N93 VanDerWaalsContact C-N 3.32Å; V91-N93 PolarHBondContact O-N 2.89Å; V91-K94 HydrophobicContact CG1-CG 4.37Å; V91-F97 HydrophobicContact CB-CD2 4.34Å; V91-F97 HydrophobicContact CG1-CB 3.5Å; V91-F97 VanDerWaalsContact CG1-CB 3.5Å; V91-F97 HydrophobicContact CG1-CD2 3.74Å; V91-F97 HydrophobicContact CG1-CG 3.8Å; V91-F97 HydrophobicContact CG2-CD2 3.55Å; V91-F97 HydrophobicContact CG2-CE2 3.76Å; V91-F97 HydrophobicContact CG2-CG 4.21Å; V91-V140 HydrophobicContact CG2-CB 4.2Å; V91-V140 HydrophobicContact CG2-CG1 4.49Å; V91-V140 WeakPolarHBondContact CG2-O 3.4Å
92	Q	90.9	Very high	91.6	Very high	134 Å²	134	42.9 Å²	42.9	63%	0.626	24%	0.235	S	C	*	.	S	Bend	trans	-71.4	-24.6	-176.9	-63.7	-174.7	9.1	0	0	113.8	D139	Q92-D139 VanDerWaalsContact CB-OD1 3.3Å; Q92-D139 WeakPolarHBondContact CB-OD1 3.08Å; Q92-D139 HydrophobicContact CG-CB 4.04Å; Q92-D139 WeakPolarHBondContact CG-OD1 3.31Å; Q92-D139 PolarHBondContact N-OD1 2.75Å; Q92-D139 VanDerWaalsContact N-OD1 3.16Å
93	N	93.2	Very high	91.7	Very high	89 Å²	89	47.6 Å²	47.6	48%	0.476	26%	0.255	S	S	.	.			trans	-132.1	90.3	-179.9	-171.7	-34	0	0	0	110.6	V91 S95 A96 F97	V91-N93 VanDerWaalsContact C-N 3.32Å; V91-N93 PolarHBondContact O-N 2.89Å; N93-S95 VanDerWaalsContact C-N 3.33Å; N93-S95 PolarHBondContact O-N 2.88Å; N93-S95 PolarHBondContact OD1-N 3.47Å; N93-A96 HydrophobicContact CB-CB 4.01Å; N93-A96 PolarHBondContact O-N 2.88Å; N93-A96 WeakPolarHBondContact OD1-CB 3.5Å; N93-A96 PolarHBondContact OD1-N 3.27Å; N93-F97 PolarHBondContact O-N 3.07Å
94	K	94	Very high	91.6	Very high	44 Å²	44	48.1 Å²	48.1	19%	0.191	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-36.9	-175.9	-51.2	-174.3	-164.3	166.4	0	112	L54 V55 D59 F83 V91 F97 L98	L54-K94 WeakPolarHBondContact O-CE 3.43Å; L54-K94 PolarHBondContact O-NZ 2.84Å; V55-K94 HydrophobicContact CB-CD 4.38Å; V55-K94 HydrophobicContact CG1-CD 4.16Å; V55-K94 HydrophobicContact CG2-CD 4.18Å; D59-K94 HydrophobicContact CB-CB 4.1Å; D59-K94 HydrophobicContact CB-CD 3.93Å; D59-K94 HydrophobicContact CB-CG 4.28Å; D59-K94 WeakPolarHBondContact OD2-CD 3.47Å; D59-K94 WeakPolarHBondContact OD2-CE 3.45Å; D59-K94 IonicContact OD2-NZ 2.72Å; D59-K94 PolarHBondContact OD2-NZ 3.47Å; F83-K94 HydrophobicContact CZ-CB 4.32Å; V91-K94 HydrophobicContact CG1-CG 4.37Å; K94-F97 PolarHBondContact O-N 3.13Å; K94-L98 WeakPolarHBondContact O-CB 3.29Å; K94-L98 PolarHBondContact O-N 2.69Å
95	S	94.6	Very high	91.7	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-48.4	172.8	-149.3	0	0	0	0	112.7	D59 D61 A64 N93 F97 L98 C99	D59-S95 WeakPolarHBondContact O-CB 3.38Å; D59-S95 PolarHBondContact O-N 2.58Å; D61-S95 PolarHBondContact N-OG 3.39Å; D61-S95 PolarHBondContact OD1-OG 3.14Å; A64-S95 WeakPolarHBondContact CB-OG 3.21Å; N93-S95 VanDerWaalsContact C-N 3.33Å; N93-S95 PolarHBondContact O-N 2.88Å; N93-S95 PolarHBondContact OD1-N 3.47Å; S95-F97 VanDerWaalsContact C-N 3.31Å; S95-F97 PolarHBondContact O-N 3.5Å; S95-L98 PolarHBondContact O-N 3.23Å; S95-C99 WeakPolarHBondContact O-CB 3.35Å; S95-C99 PolarHBondContact O-N 2.9Å; S95-C99 PolarHBondContact O-SG 2.93Å; S95-C99 VanDerWaalsContact O-SG 3.34Å
96	A	92.2	Very high	91.8	Very high	57 Å²	57	44.3 Å²	44.3	47%	0.471	24%	0.237	S	C	.	.	H	α-helix	trans	-66	-34.4	178.7	0	0	0	0	0	112.3	N93 G100	N93-A96 HydrophobicContact CB-CB 4.01Å; N93-A96 PolarHBondContact O-N 2.88Å; N93-A96 WeakPolarHBondContact OD1-CB 3.5Å; N93-A96 PolarHBondContact OD1-N 3.27Å; A96-G100 PolarHBondContact O-N 2.88Å
97	F	93.9	Very high	91.8	Very high	16 Å²	16	46.3 Å²	46.3	7%	0.07	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-48.4	173.2	-170.7	-78.2	0	0	0	111.6	F83 L88 V91 N93 K94 S95 C99 G100 V101 V140 T142	F83-F97 AromaticContact CD2-CD1 3.84Å; F83-F97 HydrophobicContact CD2-CD1 3.84Å; F83-F97 HydrophobicContact CD2-CE1 4.22Å; F83-F97 AromaticContact CE2-CD1 3.91Å; F83-F97 HydrophobicContact CE2-CD1 3.91Å; L88-F97 HydrophobicContact CD2-CD1 3.9Å; L88-F97 HydrophobicContact CD2-CE1 3.89Å; L88-F97 HydrophobicContact CD2-CG 4.38Å; L88-F97 HydrophobicContact CD2-CZ 4.34Å; V91-F97 HydrophobicContact CB-CD2 4.34Å; V91-F97 HydrophobicContact CG1-CB 3.5Å; V91-F97 VanDerWaalsContact CG1-CB 3.5Å; V91-F97 HydrophobicContact CG1-CD2 3.74Å; V91-F97 HydrophobicContact CG1-CG 3.8Å; V91-F97 HydrophobicContact CG2-CD2 3.55Å; V91-F97 HydrophobicContact CG2-CE2 3.76Å; V91-F97 HydrophobicContact CG2-CG 4.21Å; N93-F97 PolarHBondContact O-N 3.07Å; K94-F97 PolarHBondContact O-N 3.13Å; S95-F97 VanDerWaalsContact C-N 3.31Å; S95-F97 PolarHBondContact O-N 3.5Å; F97-C99 PolarHBondContact O-N 2.67Å; F97-G100 CarbonylContact O-C 3.09Å; F97-G100 WeakPolarHBondContact O-CA 3.44Å; F97-G100 PolarHBondContact O-N 2.88Å; F97-V101 HydrophobicContact CD1-CG2 3.85Å; F97-V101 HydrophobicContact CE1-CG2 3.62Å; F97-V101 PolarHBondContact O-N 3.41Å; F97-V140 HydrophobicContact CE2-CG1 4.35Å; F97-T142 HydrophobicContact CD1-CG2 4.22Å; F97-T142 HydrophobicContact CD2-CG2 4.09Å; F97-T142 HydrophobicContact CE1-CG2 4.09Å; F97-T142 HydrophobicContact CE2-CG2 3.95Å; F97-T142 HydrophobicContact CG-CG2 4.21Å; F97-T142 HydrophobicContact CZ-CG2 3.96Å
98	L	95	Very high	91.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.2	-43.7	176.2	175.1	54.6	0	0	0	111.8	L60 A64 L68 V79 L80 F83 K94 S95 G100 V101 M102	L60-L98 HydrophobicContact CD1-CD2 3.87Å; L60-L98 HydrophobicContact CD2-CD2 3.77Å; L60-L98 HydrophobicContact CG-CD2 4.49Å; A64-L98 HydrophobicContact CB-CD2 4.37Å; L68-L98 HydrophobicContact CD1-CD2 4.4Å; V79-L98 HydrophobicContact CG1-CD1 3.8Å; L80-L98 HydrophobicContact CD2-CD1 4.2Å; F83-L98 HydrophobicContact CB-CD1 4.08Å; F83-L98 HydrophobicContact CD1-CB 4.48Å; F83-L98 HydrophobicContact CD1-CD1 3.79Å; F83-L98 HydrophobicContact CD1-CD2 4.23Å; F83-L98 HydrophobicContact CD1-CG 4.36Å; F83-L98 HydrophobicContact CD2-CB 4.14Å; F83-L98 HydrophobicContact CD2-CD1 4.27Å; F83-L98 HydrophobicContact CE1-CB 4.18Å; F83-L98 HydrophobicContact CE1-CD1 4.22Å; F83-L98 HydrophobicContact CE1-CD2 3.89Å; F83-L98 HydrophobicContact CE1-CG 4.3Å; F83-L98 HydrophobicContact CE2-CB 3.84Å; F83-L98 HydrophobicContact CG-CB 4.45Å; F83-L98 HydrophobicContact CG-CD1 3.8Å; F83-L98 HydrophobicContact CZ-CB 3.86Å; F83-L98 HydrophobicContact CZ-CD2 4.31Å; F83-L98 HydrophobicContact CZ-CG 4.47Å; K94-L98 WeakPolarHBondContact O-CB 3.29Å; K94-L98 PolarHBondContact O-N 2.69Å; S95-L98 PolarHBondContact O-N 3.23Å; L98-G100 PolarHBondContact O-N 2.88Å; L98-V101 PolarHBondContact O-N 3.33Å; L98-M102 HydrophobicContact CD1-CE 4.04Å; L98-M102 HydrophobicContact CD2-CE 4.3Å; L98-M102 HydrophobicContact CG-CE 3.6Å; L98-M102 PolarHBondContact O-N 3.32Å
99	C	94.1	Very high	91.8	Very high	41 Å²	41	51.2 Å²	51.2	28%	0.277	26%	0.26	S	S	.	.	H	α-helix	trans	-59.2	-31.9	168.5	-70.9	0	0	0	0	112.7	S95 F97 K103	S95-C99 WeakPolarHBondContact O-CB 3.35Å; S95-C99 PolarHBondContact O-N 2.9Å; S95-C99 PolarHBondContact O-SG 2.93Å; S95-C99 VanDerWaalsContact O-SG 3.34Å; F97-C99 PolarHBondContact O-N 2.67Å; C99-K103 VanDerWaalsContact O-CB 3.24Å; C99-K103 WeakPolarHBondContact O-CB 3.24Å; C99-K103 PolarHBondContact O-N 2.99Å
100	G	92.5	Very high	91.8	Very high	9 Å²	9	54.9 Å²	54.9	9%	0.093	27%	0.265	C	S	.	.	H	α-helix	trans	-67.1	-43.5	172.3	0	0	0	0	0	113.3	A96 F97 L98 K103 T104 T142	A96-G100 PolarHBondContact O-N 2.88Å; F97-G100 CarbonylContact O-C 3.09Å; F97-G100 WeakPolarHBondContact O-CA 3.44Å; F97-G100 PolarHBondContact O-N 2.88Å; L98-G100 PolarHBondContact O-N 2.88Å; G100-K103 PolarHBondContact O-N 3.44Å; G100-T104 WeakPolarHBondContact O-CB 3.41Å; G100-T104 PolarHBondContact O-N 2.89Å; G100-T104 PolarHBondContact O-OG1 3.17Å; G100-T142 WeakPolarHBondContact CA-OG1 3.42Å
101	V	93.6	Very high	91.3	Very high	9 Å²	9	58 Å²	58	6%	0.055	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-49.1	174.9	179.1	0	0	0	0	109.8	V79 Q82 F97 L98 K103 T104 Y105 T142	V79-V101 HydrophobicContact CG1-CG1 4.13Å; Q82-V101 HydrophobicContact CB-CG1 3.94Å; F97-V101 HydrophobicContact CD1-CG2 3.85Å; F97-V101 HydrophobicContact CE1-CG2 3.62Å; F97-V101 PolarHBondContact O-N 3.41Å; L98-V101 PolarHBondContact O-N 3.33Å; V101-K103 VanDerWaalsContact C-N 3.33Å; V101-K103 PolarHBondContact O-N 3.39Å; V101-T104 WeakPolarHBondContact O-CA 3.39Å; V101-T104 WeakPolarHBondContact O-CB 3.46Å; V101-T104 PolarHBondContact O-N 3.36Å; V101-Y105 PolarHBondContact O-N 2.89Å; V101-T142 HydrophobicContact CG2-CG2 4.03Å
102	M	94.5	Very high	90.3	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-51.6	-48.5	172.7	-81.8	-172.8	-109	0	0	113.2	A64 A67 L68 F71 V79 L98 T104 Y105 R106	A64-M102 HydrophobicContact CB-CE 4.28Å; A64-M102 WeakPolarHBondContact O-CE 3.49Å; A67-M102 HydrophobicContact CB-CE 4.07Å; A67-M102 HydrophobicContact CB-SD 3.52Å; A67-M102 VanDerWaalsContact CB-SD 3.52Å; L68-M102 HydrophobicContact CD2-CE 3.94Å; L68-M102 HydrophobicContact CD2-CG 4.25Å; L68-M102 HydrophobicContact CD2-SD 3.91Å; L68-M102 HydrophobicContact CG-CE 3.72Å; L68-M102 HydrophobicContact CG-SD 3.99Å; F71-M102 HydrophobicContact CD2-CG 4.5Å; F71-M102 HydrophobicContact CD2-SD 4.3Å; F71-M102 HydrophobicContact CE2-CB 3.78Å; F71-M102 HydrophobicContact CE2-CG 3.48Å; F71-M102 VanDerWaalsContact CE2-CG 3.48Å; F71-M102 HydrophobicContact CE2-SD 3.53Å; F71-M102 VanDerWaalsContact CE2-SD 3.53Å; F71-M102 HydrophobicContact CZ-CB 3.55Å; F71-M102 HydrophobicContact CZ-CG 3.55Å; F71-M102 HydrophobicContact CZ-SD 4.23Å; V79-M102 HydrophobicContact CB-CG 4.49Å; V79-M102 HydrophobicContact CG1-CG 3.57Å; V79-M102 HydrophobicContact CG2-CG 4.21Å; L98-M102 HydrophobicContact CD1-CE 4.04Å; L98-M102 HydrophobicContact CD2-CE 4.3Å; L98-M102 HydrophobicContact CG-CE 3.6Å; L98-M102 PolarHBondContact O-N 3.32Å; M102-T104 VanDerWaalsContact C-N 3.28Å; M102-T104 PolarHBondContact O-N 3.25Å; M102-Y105 PolarHBondContact O-N 2.62Å; M102-R106 WeakPolarHBondContact O-CB 3.18Å; M102-R106 WeakPolarHBondContact O-CG 3.23Å; M102-R106 PolarHBondContact O-N 3.35Å
103	K	92.2	Very high	88.9	Confident	144 Å²	144	57.1 Å²	57.1	63%	0.626	29%	0.294	S	S	*	.	H	α-helix	trans	-63.8	-35.6	178.7	179.9	-169.4	166.7	-151	0	111.9	C99 G100 V101 Q107	C99-K103 VanDerWaalsContact O-CB 3.24Å; C99-K103 WeakPolarHBondContact O-CB 3.24Å; C99-K103 PolarHBondContact O-N 2.99Å; G100-K103 PolarHBondContact O-N 3.44Å; V101-K103 VanDerWaalsContact C-N 3.33Å; V101-K103 PolarHBondContact O-N 3.39Å; K103-Q107 PolarHBondContact O-N 2.94Å
104	T	90.7	Very high	87.1	Confident	10 Å²	10	60 Å²	60	6%	0.061	30%	0.302	C	S	.	.	H	α-helix	trans	-68.4	-47.8	177.3	-58.4	0	0	0	0	110.9	G100 V101 M102 R106 Q107 R108 P200 L201	G100-T104 WeakPolarHBondContact O-CB 3.41Å; G100-T104 PolarHBondContact O-N 2.89Å; G100-T104 PolarHBondContact O-OG1 3.17Å; V101-T104 WeakPolarHBondContact O-CA 3.39Å; V101-T104 WeakPolarHBondContact O-CB 3.46Å; V101-T104 PolarHBondContact O-N 3.36Å; M102-T104 VanDerWaalsContact C-N 3.28Å; M102-T104 PolarHBondContact O-N 3.25Å; T104-R106 PolarHBondContact O-N 3.01Å; T104-Q107 CarbonylContact O-C 3.5Å; T104-Q107 WeakPolarHBondContact O-CA 3.15Å; T104-Q107 WeakPolarHBondContact O-CB 3.48Å; T104-Q107 PolarHBondContact O-N 2.88Å; T104-R108 PolarHBondContact O-N 3.04Å; T104-P200 HydrophobicContact CG2-CB 4.11Å; T104-P200 WeakPolarHBondContact CG2-O 3.45Å; T104-P200 WeakPolarHBondContact OG1-CB 3.3Å; T104-L201 HydrophobicContact CG2-CD2 4.17Å
105	Y	91.5	Very high	85.2	Confident	29 Å²	29	60.8 Å²	60.8	11%	0.114	31%	0.311	C	S	.	.	H	α-helix	trans	-55	-53.7	173.1	-175.7	-82.2	0	0	0	111	F71 G75 V79 V101 M102 Q107 R108 E109	F71-Y105 HydrophobicContact CD1-CD1 4.24Å; F71-Y105 HydrophobicContact CD1-CE1 4.41Å; F71-Y105 AromaticContact CE1-CD1 3.64Å; F71-Y105 HydrophobicContact CE1-CD1 3.64Å; F71-Y105 HydrophobicContact CE1-CE1 4.25Å; F71-Y105 HydrophobicContact CE1-CG 4.29Å; G75-Y105 WeakPolarHBondContact CA-OH 3.45Å; V79-Y105 HydrophobicContact CG2-CD1 4.45Å; V79-Y105 HydrophobicContact CG2-CD2 4.17Å; V79-Y105 HydrophobicContact CG2-CG 3.83Å; V101-Y105 PolarHBondContact O-N 2.89Å; M102-Y105 PolarHBondContact O-N 2.62Å; Y105-Q107 PolarHBondContact O-N 3.46Å; Y105-R108 PolarHBondContact O-N 3.11Å; Y105-E109 HydrophobicContact CD1-CG 3.7Å; Y105-E109 HydrophobicContact CE1-CG 3.39Å; Y105-E109 HydrophobicContact CG-CG 4.5Å; Y105-E109 WeakPolarHBondContact O-CG 3.42Å; Y105-E109 PolarHBondContact O-N 2.95Å
106	R	91.2	Very high	83.2	Confident	82 Å²	82	69.2 Å²	69.2	31%	0.309	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-5.3	176.2	-68.8	-176.5	-173.1	-171.9	13.9	115.1	A67 E70 F71 M102 T104 K110	A67-R106 PolarHBondContact O-NH2 2.77Å; E70-R106 IonicContact OE2-CZ 3.94Å; E70-R106 VanDerWaalsContact OE2-CZ 3.22Å; E70-R106 IonicContact OE2-NH1 3.31Å; E70-R106 PolarHBondContact OE2-NH1 3.12Å; E70-R106 IonicContact OE2-NH2 3.17Å; E70-R106 PolarHBondContact OE2-NH2 3.43Å; F71-R106 HydrophobicContact CE1-CG 3.78Å; F71-R106 HydrophobicContact CE2-CG 4.45Å; F71-R106 HydrophobicContact CZ-CG 3.6Å; M102-R106 WeakPolarHBondContact O-CB 3.18Å; M102-R106 WeakPolarHBondContact O-CG 3.23Å; M102-R106 PolarHBondContact O-N 3.35Å; T104-R106 PolarHBondContact O-N 3.01Å; R106-K110 VanDerWaalsContact O-CD 3.3Å; R106-K110 WeakPolarHBondContact O-CD 3.26Å; R106-K110 VanDerWaalsContact O-CE 3.31Å; R106-K110 WeakPolarHBondContact O-CE 3.5Å; R106-K110 PolarHBondContact O-NZ 2.85Å; R106-K110 VanDerWaalsContact O-NZ 3.09Å
107	Q	88.3	Confident	81.5	Confident	78 Å²	78	75.5 Å²	75.5	36%	0.364	37%	0.37	S	S	.	.	H	α-helix	trans	-101.3	-43.6	170.5	-177.3	173.1	-28.9	0	0	111.5	K103 T104 Y105 E109 K110 Q111 L201	K103-Q107 PolarHBondContact O-N 2.94Å; T104-Q107 CarbonylContact O-C 3.5Å; T104-Q107 WeakPolarHBondContact O-CA 3.15Å; T104-Q107 WeakPolarHBondContact O-CB 3.48Å; T104-Q107 PolarHBondContact O-N 2.88Å; Y105-Q107 PolarHBondContact O-N 3.46Å; Q107-E109 VanDerWaalsContact C-N 3.35Å; Q107-E109 PolarHBondContact O-N 2.97Å; Q107-K110 PolarHBondContact O-N 3.33Å; Q107-Q111 PolarHBondContact O-N 3.43Å; Q107-L201 HydrophobicContact CB-CD2 4.41Å; Q107-L201 HydrophobicContact CG-CD2 4.23Å
108	R	87.9	Confident	79.6	Confident	69 Å²	69	78.8 Å²	78.8	26%	0.26	40%	0.395	S	S	.	.	H	α-helix	trans	-57.1	-46.8	175.3	-171.2	179	-74.7	169.9	-3	111.2	T104 Y105 K110 Q111 L201	T104-R108 PolarHBondContact O-N 3.04Å; Y105-R108 PolarHBondContact O-N 3.11Å; R108-K110 PolarHBondContact O-N 2.71Å; R108-Q111 PolarHBondContact O-N 3.21Å; R108-L201 HydrophobicContact CB-CD2 4.15Å; R108-L201 PolarHBondContact NH2-O 2.66Å
109	E	86.6	Confident	77.8	Confident	108 Å²	108	83.3 Å²	83.3	51%	0.505	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-26.7	173	-71.7	-63.5	101.6	0	0	114.4	Y105 Q107	Y105-E109 HydrophobicContact CD1-CG 3.7Å; Y105-E109 HydrophobicContact CE1-CG 3.39Å; Y105-E109 HydrophobicContact CG-CG 4.5Å; Y105-E109 WeakPolarHBondContact O-CG 3.42Å; Y105-E109 PolarHBondContact O-N 2.95Å; Q107-E109 VanDerWaalsContact C-N 3.35Å; Q107-E109 PolarHBondContact O-N 2.97Å
110	K	87	Confident	76.6	Confident	167 Å²	167	90.7 Å²	90.7	73%	0.726	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-1.2	-175.8	-66.3	176.6	-174	147.1	0	114.1	R106 Q107 R108	R106-K110 VanDerWaalsContact O-CD 3.3Å; R106-K110 WeakPolarHBondContact O-CD 3.26Å; R106-K110 VanDerWaalsContact O-CE 3.31Å; R106-K110 WeakPolarHBondContact O-CE 3.5Å; R106-K110 PolarHBondContact O-NZ 2.85Å; R106-K110 VanDerWaalsContact O-NZ 3.09Å; Q107-K110 PolarHBondContact O-N 3.33Å; R108-K110 PolarHBondContact O-N 2.71Å
111	Q	79.4	Confident	75.9	Confident	113 Å²	113	92.7 Å²	92.7	53%	0.528	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-7.9	-177.6	-69.5	-176.8	-49.8	0	0	112.8	Q107 R108	Q107-Q111 PolarHBondContact O-N 3.43Å; R108-Q111 PolarHBondContact O-N 3.21Å
112	G	72.1	Confident	75.5	Confident	35 Å²	35	93.5 Å²	93.5	36%	0.361	48%	0.475	S	S	.	.			trans	76.3	133.2	-170.2	0	0	0	0	0	110.9	K114	G112-K114 PolarHBondContact O-N 2.95Å
113	S	62.5	Low	75.3	Confident	92 Å²	92	96.9 Å²	96.9	64%	0.643	49%	0.493	S	S	*	.	S	Bend	trans	-71	89.3	-172.6	-66.2	0	0	0	0	112.3
114	K	54.5	Low	75	Confident	148 Å²	148	96.9 Å²	96.9	64%	0.643	50%	0.496	S	S	*	.			trans	-133.3	26.1	176.9	-127.4	178.8	-170.7	174.4	0	113.6	G112 Y493	G112-K114 PolarHBondContact O-N 2.95Å; K114-Y493 HydrophobicContact CD-CE1 4.07Å; K114-Y493 HydrophobicContact CD-CE2 3.86Å; K114-Y493 WeakPolarHBondContact CD-OH 3.43Å; K114-Y493 VanDerWaalsContact CE-CE2 3.43Å
115	V	53.7	Low	75.1	Confident	62 Å²	62	99.8 Å²	99.8	38%	0.376	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-89.9	120	171.4	-177	0	0	0	0	108.2
116	Q	53.5	Low	75.2	Confident	180 Å²	180	102.8 Å²	102.8	84%	0.841	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-61.1	143.5	169.6	-75.3	178.6	-27.2	0	0	110
117	E	56.4	Low	75.3	Confident	189 Å²	189	99 Å²	99	88%	0.883	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-55.9	138.6	177	-168.3	164.8	-157.7	0	0	110.7	T119	E117-T119 PolarHBondContact O-N 3.47Å
118	S	54.7	Low	75.5	Confident	85 Å²	85	101.2 Å²	101.2	59%	0.594	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-63.8	120.8	-163.5	46.9	0	0	0	0	111.6
119	T	57.1	Low	75.8	Confident	94 Å²	94	100.6 Å²	100.6	58%	0.577	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-56.7	149.1	165.4	18.5	0	0	0	0	110	E117 G121 Q204	E117-T119 PolarHBondContact O-N 3.47Å; T119-G121 PolarHBondContact O-N 3Å; T119-Q204 PolarHBondContact OG1-NE2 2.66Å
120	K	67.9	Low	76.2	Confident	197 Å²	197	95.8 Å²	95.8	86%	0.857	52%	0.516	S	S	*	.			trans	-42.8	132.5	-172.7	-60.5	-176.9	-179.1	-176.7	0	112.1
121	G	77.7	Confident	76.6	Confident	50 Å²	50	88.9 Å²	88.9	52%	0.515	49%	0.487	S	S	.	.			trans	-65	-172.6	172.2	0	0	0	0	0	112.8	T119	T119-G121 PolarHBondContact O-N 3Å
122	P	86.4	Confident	77.3	Confident	26 Å²	26	89.2 Å²	89.2	17%	0.169	49%	0.488	C	S	.	.			trans	-59	150	175.1	22.2	-28.5	0	0	0	111.7	E124 I127 R145 Y177	P122-E124 PolarHBondContact O-N 2.78Å; P122-I127 HydrophobicContact CB-CD1 4.07Å; P122-I127 HydrophobicContact CB-CG1 3.89Å; P122-R145 VanDerWaalsContact CG-CZ 3.49Å; P122-Y177 HydrophobicContact CB-CD1 3.84Å; P122-Y177 HydrophobicContact CB-CD2 3.88Å; P122-Y177 HydrophobicContact CB-CE1 4.27Å; P122-Y177 HydrophobicContact CB-CE2 4.31Å; P122-Y177 HydrophobicContact CB-CG 3.63Å; P122-Y177 HydrophobicContact CG-CD1 4Å; P122-Y177 HydrophobicContact CG-CE1 4.14Å; P122-Y177 HydrophobicContact CG-CG 4.31Å
123	D	89.2	Confident	78.4	Confident	76 Å²	76	90.3 Å²	90.3	41%	0.406	48%	0.481	S	S	.	.			trans	-69.5	100.9	176.6	-179.3	-25.6	0	0	0	110.1	A125 K126 I127	D123-A125 PolarHBondContact O-N 2.79Å; D123-A125 VanDerWaalsContact O-N 3.14Å; D123-A125 WeakPolarHBondContact OD1-CB 3.41Å; D123-A125 PolarHBondContact OD1-N 2.98Å; D123-A125 VanDerWaalsContact OD1-N 3.1Å; D123-K126 HydrophobicContact CB-CB 4.17Å; D123-K126 HydrophobicContact CB-CD 3.85Å; D123-K126 HydrophobicContact CB-CG 3.99Å; D123-K126 WeakPolarHBondContact O-CB 3.41Å; D123-K126 PolarHBondContact O-N 2.96Å; D123-K126 PolarHBondContact OD1-N 2.78Å; D123-K126 VanDerWaalsContact OD2-CE 3.29Å; D123-K126 WeakPolarHBondContact OD2-CE 3.34Å; D123-K126 WeakPolarHBondContact OD2-CG 3.43Å; D123-I127 WeakPolarHBondContact O-CG1 3.5Å; D123-I127 PolarHBondContact O-N 3.36Å
124	E	87.2	Confident	79.9	Confident	144 Å²	144	87 Å²	87	67%	0.673	46%	0.457	S	S	*	.	H	α-helix	trans	-51.9	-35.3	-178.3	-67.5	174.8	-160.5	0	0	113.1	P122 I127 K128	P122-E124 PolarHBondContact O-N 2.78Å; E124-I127 PolarHBondContact O-N 2.89Å; E124-K128 WeakPolarHBondContact O-CB 3.48Å; E124-K128 PolarHBondContact O-N 2.92Å
125	A	92.2	Very high	81.7	Confident	71 Å²	71	82.5 Å²	82.5	59%	0.587	45%	0.453	S	S	*	.	H	α-helix	trans	-69.8	-39.1	179.6	0	0	0	0	0	111.3	D123 A129	D123-A125 PolarHBondContact O-N 2.79Å; D123-A125 VanDerWaalsContact O-N 3.14Å; D123-A125 WeakPolarHBondContact OD1-CB 3.41Å; D123-A125 PolarHBondContact OD1-N 2.98Å; D123-A125 VanDerWaalsContact OD1-N 3.1Å; A125-A129 VanDerWaalsContact O-CB 3.26Å; A125-A129 WeakPolarHBondContact O-CB 3.18Å; A125-A129 PolarHBondContact O-N 3.1Å
126	K	93.9	Very high	83.7	Confident	92 Å²	92	80.5 Å²	80.5	40%	0.4	44%	0.439	S	S	.	.	H	α-helix	trans	-70.2	-39.9	172	-64	179.5	-165.3	166.8	0	112.7	D123 A129 L130 D179	D123-K126 HydrophobicContact CB-CB 4.17Å; D123-K126 HydrophobicContact CB-CD 3.85Å; D123-K126 HydrophobicContact CB-CG 3.99Å; D123-K126 WeakPolarHBondContact O-CB 3.41Å; D123-K126 PolarHBondContact O-N 2.96Å; D123-K126 PolarHBondContact OD1-N 2.78Å; D123-K126 VanDerWaalsContact OD2-CE 3.29Å; D123-K126 WeakPolarHBondContact OD2-CE 3.34Å; D123-K126 WeakPolarHBondContact OD2-CG 3.43Å; K126-A129 PolarHBondContact O-N 2.82Å; K126-L130 WeakPolarHBondContact O-CB 3.47Å; K126-L130 PolarHBondContact O-N 3.47Å; K126-D179 HydrophobicContact CB-CB 3.9Å; K126-D179 HydrophobicContact CD-CB 4.17Å; K126-D179 WeakPolarHBondContact CD-OD2 3.35Å; K126-D179 IonicContact NZ-OD2 3.38Å; K126-D179 PolarHBondContact NZ-OD2 3.47Å
127	I	93.1	Very high	85.6	Confident	3 Å²	3	75.3 Å²	75.3	2%	0.015	42%	0.42	C	S	.	.	H	α-helix	trans	-60.6	-49	176.4	-65.3	-62.7	0	0	0	109.7	P122 D123 E124 A129 L130 L131 L138 E178 D179	P122-I127 HydrophobicContact CB-CD1 4.07Å; P122-I127 HydrophobicContact CB-CG1 3.89Å; D123-I127 WeakPolarHBondContact O-CG1 3.5Å; D123-I127 PolarHBondContact O-N 3.36Å; E124-I127 PolarHBondContact O-N 2.89Å; I127-A129 PolarHBondContact O-N 2.97Å; I127-L130 WeakPolarHBondContact O-CB 3.45Å; I127-L130 PolarHBondContact O-N 3.02Å; I127-L131 HydrophobicContact CG2-CD1 3.91Å; I127-L131 VanDerWaalsContact O-CG 3.31Å; I127-L131 WeakPolarHBondContact O-CG 3.32Å; I127-L131 PolarHBondContact O-N 2.99Å; I127-L138 HydrophobicContact CG2-CD2 3.6Å; I127-E178 HydrophobicContact CD1-CG 3.61Å; I127-E178 WeakPolarHBondContact CD1-OE1 3.5Å; I127-D179 HydrophobicContact CD1-CB 4.16Å
128	K	92.9	Very high	87.5	Confident	125 Å²	125	66.8 Å²	66.8	54%	0.543	38%	0.38	S	S	.	.	H	α-helix	trans	-57.9	-48.6	174.5	-179	171.4	175.8	174.8	0	111.9	E124 L130 L131 E132	E124-K128 WeakPolarHBondContact O-CB 3.48Å; E124-K128 PolarHBondContact O-N 2.92Å; K128-L130 VanDerWaalsContact C-N 3.28Å; K128-L130 PolarHBondContact O-N 2.78Å; K128-L131 PolarHBondContact O-N 2.9Å; K128-E132 WeakPolarHBondContact CE-OE1 3.2Å; K128-E132 HydrophobicContact CG-CG 4.34Å; K128-E132 WeakPolarHBondContact CG-OE1 3.49Å; K128-E132 IonicContact NZ-OE1 3.46Å; K128-E132 WeakPolarHBondContact O-CB 3.48Å; K128-E132 WeakPolarHBondContact O-CG 3.5Å; K128-E132 PolarHBondContact O-N 3.14Å
129	A	94.9	Very high	89.4	Confident	55 Å²	55	64.3 Å²	64.3	46%	0.455	36%	0.36	S	S	.	.	H	α-helix	trans	-63.8	-29.9	177.4	0	0	0	0	0	113.3	A125 K126 I127 R133	A125-A129 VanDerWaalsContact O-CB 3.26Å; A125-A129 WeakPolarHBondContact O-CB 3.18Å; A125-A129 PolarHBondContact O-N 3.1Å; K126-A129 PolarHBondContact O-N 2.82Å; I127-A129 PolarHBondContact O-N 2.97Å; A129-R133 WeakPolarHBondContact O-CB 3.49Å; A129-R133 PolarHBondContact O-N 3.49Å; A129-R133 VanDerWaalsContact O-N 3.16Å
130	L	94.8	Very high	91.1	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.037	34%	0.336	C	S	.	.	H	α-helix	trans	-66	-52.3	171.5	173.4	64.9	0	0	0	110.6	K126 I127 K128 R133 T134 Y147 E178 V182	K126-L130 WeakPolarHBondContact O-CB 3.47Å; K126-L130 PolarHBondContact O-N 3.47Å; I127-L130 WeakPolarHBondContact O-CB 3.45Å; I127-L130 PolarHBondContact O-N 3.02Å; K128-L130 VanDerWaalsContact C-N 3.28Å; K128-L130 PolarHBondContact O-N 2.78Å; L130-R133 WeakPolarHBondContact O-CB 3.37Å; L130-R133 PolarHBondContact O-N 2.88Å; L130-T134 HydrophobicContact CD1-CG2 3.93Å; L130-T134 WeakPolarHBondContact O-CG2 3.36Å; L130-T134 PolarHBondContact O-N 3.47Å; L130-T134 PolarHBondContact O-OG1 2.84Å; L130-T134 VanDerWaalsContact O-OG1 3.08Å; L130-Y147 HydrophobicContact CD1-CE2 4.48Å; L130-Y147 HydrophobicContact CD2-CD2 4.12Å; L130-Y147 HydrophobicContact CD2-CE2 3.79Å; L130-Y147 HydrophobicContact CG-CE2 3.96Å; L130-E178 HydrophobicContact CD2-CB 4.39Å; L130-E178 HydrophobicContact CD2-CG 4.27Å; L130-E178 WeakPolarHBondContact CD2-O 2.98Å; L130-V182 HydrophobicContact CD1-CB 4.15Å; L130-V182 HydrophobicContact CD1-CG1 3.98Å; L130-V182 HydrophobicContact CD2-CB 4.13Å; L130-V182 HydrophobicContact CD2-CG2 4.18Å
131	L	94.4	Very high	92.3	Very high	23 Å²	23	53.5 Å²	53.5	12%	0.12	31%	0.311	C	S	.	.	H	α-helix	trans	-67.3	-41.1	-175.8	-60.4	169.6	0	0	0	111.7	H90 I127 K128 R133 T134 G135 Y136 L138 Y147	H90-L131 WeakPolarHBondContact CE1-CD1 3.24Å; I127-L131 HydrophobicContact CG2-CD1 3.91Å; I127-L131 VanDerWaalsContact O-CG 3.31Å; I127-L131 WeakPolarHBondContact O-CG 3.32Å; I127-L131 PolarHBondContact O-N 2.99Å; K128-L131 PolarHBondContact O-N 2.9Å; L131-R133 VanDerWaalsContact C-N 3.3Å; L131-R133 PolarHBondContact O-N 3.14Å; L131-T134 PolarHBondContact O-N 2.88Å; L131-G135 WeakPolarHBondContact O-CA 3.49Å; L131-G135 PolarHBondContact O-N 3.19Å; L131-Y136 VanDerWaalsContact CD2-O 3.29Å; L131-Y136 WeakPolarHBondContact CD2-O 3.35Å; L131-L138 HydrophobicContact CD1-CB 3.87Å; L131-L138 HydrophobicContact CD1-CD2 4.09Å; L131-L138 HydrophobicContact CD2-CB 3.92Å; L131-Y147 HydrophobicContact CD2-CD2 3.88Å; L131-Y147 HydrophobicContact CD2-CE2 3.89Å
132	E	94.5	Very high	92.8	Very high	119 Å²	119	52.9 Å²	52.9	56%	0.556	30%	0.297	S	S	*	.	H	α-helix	trans	-62.8	-34.7	172.6	-72.5	178.8	-179.6	0	0	112.6	K128	K128-E132 WeakPolarHBondContact CE-OE1 3.2Å; K128-E132 HydrophobicContact CG-CG 4.34Å; K128-E132 WeakPolarHBondContact CG-OE1 3.49Å; K128-E132 IonicContact NZ-OE1 3.46Å; K128-E132 WeakPolarHBondContact O-CB 3.48Å; K128-E132 WeakPolarHBondContact O-CG 3.5Å; K128-E132 PolarHBondContact O-N 3.14Å
133	R	94.9	Very high	93.1	Very high	58 Å²	58	52.6 Å²	52.6	22%	0.219	30%	0.299	C	S	.	.	H	α-helix	trans	-72.8	-36.9	178.2	175.2	-170.8	74.2	99.9	-9.6	113	A129 L130 L131 E186 R546	A129-R133 WeakPolarHBondContact O-CB 3.49Å; A129-R133 PolarHBondContact O-N 3.49Å; A129-R133 VanDerWaalsContact O-N 3.16Å; L130-R133 WeakPolarHBondContact O-CB 3.37Å; L130-R133 PolarHBondContact O-N 2.88Å; L131-R133 VanDerWaalsContact C-N 3.3Å; L131-R133 PolarHBondContact O-N 3.14Å; R133-E186 IonicContact CZ-OE1 2.78Å; R133-E186 IonicContact CZ-OE2 2.92Å; R133-E186 VanDerWaalsContact NH1-CD 3.34Å; R133-E186 IonicContact NH1-OE1 3.97Å; R133-E186 PolarHBondContact NH1-OE1 2.82Å; R133-E186 IonicContact NH1-OE2 3.52Å; R133-E186 PolarHBondContact NH1-OE2 3.3Å; R133-E186 IonicContact NH2-OE1 3.27Å; R133-E186 PolarHBondContact NH2-OE1 3.01Å; R133-E186 IonicContact NH2-OE2 3.48Å; R133-E186 PolarHBondContact NH2-OE2 3.42Å; R133-R546 HydrophobicContact CG-CG 4.3Å
134	T	93.7	Very high	93.3	Very high	22 Å²	22	52 Å²	52	14%	0.135	29%	0.293	C	S	.	.	H	α-helix	trans	-105.5	-22.3	-170	65.8	0	0	0	0	113.7	L130 L131 Y136 Y147	L130-T134 HydrophobicContact CD1-CG2 3.93Å; L130-T134 WeakPolarHBondContact O-CG2 3.36Å; L130-T134 PolarHBondContact O-N 3.47Å; L130-T134 PolarHBondContact O-OG1 2.84Å; L130-T134 VanDerWaalsContact O-OG1 3.08Å; L131-T134 PolarHBondContact O-N 2.88Å; T134-Y136 VanDerWaalsContact C-N 3.25Å; T134-Y136 WeakPolarHBondContact O-CD2 3.49Å; T134-Y136 PolarHBondContact O-N 2.92Å; T134-Y136 WeakPolarHBondContact OG1-CD2 3.16Å; T134-Y136 PolarHBondContact OG1-N 3.46Å; T134-Y147 VanDerWaalsContact CB-OH 3.28Å; T134-Y147 WeakPolarHBondContact CB-OH 3.4Å; T134-Y147 WeakPolarHBondContact CG2-OH 3.48Å; T134-Y147 PolarHBondContact OG1-OH 3.39Å
135	G	93	Very high	93.7	Very high	54 Å²	54	46 Å²	46	56%	0.557	27%	0.265	S	S	*	.			trans	77.4	3.5	-175	0	0	0	0	0	114.7	L131 P152	L131-G135 WeakPolarHBondContact O-CA 3.49Å; L131-G135 PolarHBondContact O-N 3.19Å; G135-P152 VanDerWaalsContact C-CG 3.47Å; G135-P152 WeakPolarHBondContact O-CG 3.5Å
136	Y	95	Very high	93.9	Very high	21 Å²	21	45 Å²	45	8%	0.082	25%	0.247	C	C	.	.			trans	-72.7	153.5	-178.3	-79.1	-121.1	0	0	0	111.5	L131 T134 Y147 P151 P152 V155 I191	L131-Y136 VanDerWaalsContact CD2-O 3.29Å; L131-Y136 WeakPolarHBondContact CD2-O 3.35Å; T134-Y136 VanDerWaalsContact C-N 3.25Å; T134-Y136 WeakPolarHBondContact O-CD2 3.49Å; T134-Y136 PolarHBondContact O-N 2.92Å; T134-Y136 WeakPolarHBondContact OG1-CD2 3.16Å; T134-Y136 PolarHBondContact OG1-N 3.46Å; Y136-Y147 VanDerWaalsContact CB-CZ 3.45Å; Y136-Y147 AromaticContact CD1-CD1 3.74Å; Y136-Y147 HydrophobicContact CD1-CD1 3.74Å; Y136-Y147 AromaticContact CD1-CE1 3.14Å; Y136-Y147 HydrophobicContact CD1-CE1 3.14Å; Y136-Y147 HydrophobicContact CD1-CE2 4.28Å; Y136-Y147 AromaticContact CD1-CZ 3.45Å; Y136-Y147 VanDerWaalsContact CD1-CZ 3.45Å; Y136-Y147 HydrophobicContact CD2-CE1 4.28Å; Y136-Y147 AromaticContact CD2-CZ 3.85Å; Y136-Y147 WeakPolarHBondContact CD2-OH 3.4Å; Y136-Y147 HydrophobicContact CE1-CD1 4.26Å; Y136-Y147 AromaticContact CE1-CE1 3.52Å; Y136-Y147 HydrophobicContact CE1-CE1 3.52Å; Y136-Y147 HydrophobicContact CG-CD1 4.39Å; Y136-Y147 AromaticContact CG-CE1 3.58Å; Y136-Y147 HydrophobicContact CG-CE1 3.58Å; Y136-Y147 AromaticContact CG-CE2 3.97Å; Y136-Y147 HydrophobicContact CG-CE2 3.97Å; Y136-Y147 AromaticContact CG-CZ 3.31Å; Y136-P151 HydrophobicContact CD1-CB 4.44Å; Y136-P151 HydrophobicContact CE1-CB 3.6Å; Y136-P151 HydrophobicContact CE2-CB 4.42Å; Y136-P151 WeakPolarHBondContact OH-CB 3.33Å; Y136-P152 HydrophobicContact CD2-CG 3.74Å; Y136-P152 HydrophobicContact CE2-CG 4.1Å; Y136-P152 HydrophobicContact CG-CG 4.29Å; Y136-V155 HydrophobicContact CE2-CG2 4.2Å; Y136-I191 WeakPolarHBondContact CE1-O 3.07Å; Y136-I191 PolarHBondContact OH-O 3.4Å
137	T	94.5	Very high	94	Very high	71 Å²	71	40.8 Å²	40.8	44%	0.436	23%	0.229	S	C	.	.			trans	-80.4	159.1	167.4	52.6	0	0	0	0	111.2	Y147 G148	T137-Y147 WeakPolarHBondContact O-CA 3.37Å; T137-G148 PolarHBondContact O-N 3.01Å
138	L	95.1	Very high	94.1	Very high	9 Å²	9	40.7 Å²	40.7	5%	0.047	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.3	167.4	179.9	59.3	0	0	0	108.1	H90 I127 L131 V140 R145 K146 E178	H90-L138 HydrophobicContact CB-CB 4.44Å; H90-L138 HydrophobicContact CB-CD2 4.25Å; H90-L138 HydrophobicContact CB-CG 4.11Å; I127-L138 HydrophobicContact CG2-CD2 3.6Å; L131-L138 HydrophobicContact CD1-CB 3.87Å; L131-L138 HydrophobicContact CD1-CD2 4.09Å; L131-L138 HydrophobicContact CD2-CB 3.92Å; L138-V140 HydrophobicContact CD1-CG2 4.49Å; L138-V140 HydrophobicContact CD2-CG2 4.41Å; L138-V140 HydrophobicContact CG-CG2 4.1Å; L138-R145 HydrophobicContact CD1-CB 4.48Å; L138-K146 WeakPolarHBondContact CA-O 3.39Å; L138-E178 WeakPolarHBondContact CD2-OE1 3.44Å
139	D	94.8	Very high	93.7	Very high	33 Å²	33	35.6 Å²	35.6	18%	0.176	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.8	172.8	-178.1	37.2	0	0	0	109.5	H90 Q92 K146	H90-D139 CarbonylContact O-C 3.51Å; H90-D139 VanDerWaalsContact O-CA 3.32Å; H90-D139 WeakPolarHBondContact O-CA 3.33Å; Q92-D139 VanDerWaalsContact CB-OD1 3.3Å; Q92-D139 WeakPolarHBondContact CB-OD1 3.08Å; Q92-D139 HydrophobicContact CG-CB 4.04Å; Q92-D139 WeakPolarHBondContact CG-OD1 3.31Å; Q92-D139 PolarHBondContact N-OD1 2.75Å; Q92-D139 VanDerWaalsContact N-OD1 3.16Å; D139-K146 HydrophobicContact CB-CB 4.41Å; D139-K146 PolarHBondContact N-O 3.46Å; D139-K146 PolarHBondContact O-N 2.81Å
140	V	93.7	Very high	93.5	Very high	13 Å²	13	36.8 Å²	36.8	8%	0.079	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.9	-178	177.9	0	0	0	0	109.5	H90 V91 F97 L138 R145	H90-V140 HydrophobicContact CB-CB 4.22Å; H90-V140 HydrophobicContact CB-CG2 3.58Å; H90-V140 PolarHBondContact O-N 2.82Å; V91-V140 HydrophobicContact CG2-CB 4.2Å; V91-V140 HydrophobicContact CG2-CG1 4.49Å; V91-V140 WeakPolarHBondContact CG2-O 3.4Å; F97-V140 HydrophobicContact CE2-CG1 4.35Å; L138-V140 HydrophobicContact CD1-CG2 4.49Å; L138-V140 HydrophobicContact CD2-CG2 4.41Å; L138-V140 HydrophobicContact CG-CG2 4.1Å; V140-R145 HydrophobicContact CG1-CG 4.45Å; V140-R145 HydrophobicContact CG2-CG 4.29Å
141	T	91.8	Very high	93.3	Very high	52 Å²	52	37 Å²	37	32%	0.319	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	159.4	173.5	69.4	0	0	0	0	108.9	G143 Q144	T141-G143 PolarHBondContact O-N 2.79Å; T141-Q144 PolarHBondContact N-O 2.93Å; T141-Q144 PolarHBondContact O-N 2.69Å; T141-Q144 VanDerWaalsContact O-O 3.04Å; T141-Q144 PolarHBondContact OG1-N 3.12Å; T141-Q144 VanDerWaalsContact OG1-N 3.11Å; T141-Q144 PolarHBondContact OG1-O 3.08Å
142	T	89.6	Confident	93.2	Very high	36 Å²	36	37.1 Å²	37.1	22%	0.221	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-9.2	-178.1	65.3	0	0	0	0	114.8	F97 G100 V101 P200	F97-T142 HydrophobicContact CD1-CG2 4.22Å; F97-T142 HydrophobicContact CD2-CG2 4.09Å; F97-T142 HydrophobicContact CE1-CG2 4.09Å; F97-T142 HydrophobicContact CE2-CG2 3.95Å; F97-T142 HydrophobicContact CG-CG2 4.21Å; F97-T142 HydrophobicContact CZ-CG2 3.96Å; G100-T142 WeakPolarHBondContact CA-OG1 3.42Å; V101-T142 HydrophobicContact CG2-CG2 4.03Å; T142-P200 WeakPolarHBondContact O-CA 3.31Å; T142-P200 WeakPolarHBondContact O-CB 3.24Å; T142-P200 VanDerWaalsContact O-CG 3.29Å; T142-P200 WeakPolarHBondContact O-CG 3.39Å
143	G	91.6	Very high	93	Very high	20 Å²	20	37.4 Å²	37.4	21%	0.206	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-3.5	175.5	0	0	0	0	0	116.1	T141 M198	T141-G143 PolarHBondContact O-N 2.79Å; G143-M198 PolarHBondContact O-N 3.5Å
144	Q	94.2	Very high	92.7	Very high	64 Å²	64	40 Å²	40	30%	0.299	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	140.6	-176.9	-63.8	-174.1	-33	0	0	111.6	T141 L196 M197	T141-Q144 PolarHBondContact N-O 2.93Å; T141-Q144 PolarHBondContact O-N 2.69Å; T141-Q144 VanDerWaalsContact O-O 3.04Å; T141-Q144 PolarHBondContact OG1-N 3.12Å; T141-Q144 VanDerWaalsContact OG1-N 3.11Å; T141-Q144 PolarHBondContact OG1-O 3.08Å; Q144-L196 WeakPolarHBondContact CA-O 3.39Å; Q144-M197 HydrophobicContact CG-CE 3.89Å; Q144-M197 HydrophobicContact CG-SD 3.73Å; Q144-M197 PolarHBondContact NE2-SD 2.98Å
145	R	95.5	Very high	92.4	Very high	19 Å²	19	42 Å²	42	7%	0.072	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119	159.8	-59.8	177	68.3	88.4	-1.6	107.7	P122 L138 V140 E178 R195 L196 M198	P122-R145 VanDerWaalsContact CG-CZ 3.49Å; L138-R145 HydrophobicContact CD1-CB 4.48Å; V140-R145 HydrophobicContact CG1-CG 4.45Å; V140-R145 HydrophobicContact CG2-CG 4.29Å; R145-E178 IonicContact CZ-OE1 2.7Å; R145-E178 IonicContact NE-OE1 3.15Å; R145-E178 PolarHBondContact NE-OE1 3.46Å; R145-E178 IonicContact NE-OE2 3.53Å; R145-E178 PolarHBondContact NE-OE2 2.99Å; R145-E178 IonicContact NH2-OE1 2.74Å; R145-E178 PolarHBondContact NH2-OE1 3.24Å; R145-R195 CarbonylContact O-C 3.37Å; R145-R195 WeakPolarHBondContact O-CA 3.4Å; R145-L196 HydrophobicContact CB-CB 4.39Å; R145-L196 PolarHBondContact N-O 2.92Å; R145-L196 PolarHBondContact O-N 3.29Å; R145-M198 HydrophobicContact CG-CG 3.84Å; R145-M198 HydrophobicContact CG-SD 3.88Å
146	K	96.1	Very high	92.2	Very high	50 Å²	50	42.4 Å²	42.4	22%	0.217	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	103.9	-178.2	174.1	168.8	172	-70.7	0	110.2	L138 D139 G148 G149 D193 L194 R195	L138-K146 WeakPolarHBondContact CA-O 3.39Å; D139-K146 HydrophobicContact CB-CB 4.41Å; D139-K146 PolarHBondContact N-O 3.46Å; D139-K146 PolarHBondContact O-N 2.81Å; K146-G148 PolarHBondContact NZ-O 2.79Å; K146-G149 PolarHBondContact NZ-O 2.89Å; K146-D193 VanDerWaalsContact CE-OD2 3.29Å; K146-D193 WeakPolarHBondContact CE-OD2 3.25Å; K146-L194 CarbonylContact C-O 3.43Å; K146-L194 WeakPolarHBondContact CA-O 3.47Å; K146-R195 HydrophobicContact CB-CG 4.35Å; K146-R195 HydrophobicContact CD-CG 4.25Å; K146-R195 HydrophobicContact CG-CG 4.1Å
147	Y	96.5	Very high	91.7	Very high	3 Å²	3	45.6 Å²	45.6	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.7	169.9	171	-87.4	0	0	0	109	L130 L131 T134 Y136 T137 V182 D193 L194	L130-Y147 HydrophobicContact CD1-CE2 4.48Å; L130-Y147 HydrophobicContact CD2-CD2 4.12Å; L130-Y147 HydrophobicContact CD2-CE2 3.79Å; L130-Y147 HydrophobicContact CG-CE2 3.96Å; L131-Y147 HydrophobicContact CD2-CD2 3.88Å; L131-Y147 HydrophobicContact CD2-CE2 3.89Å; T134-Y147 VanDerWaalsContact CB-OH 3.28Å; T134-Y147 WeakPolarHBondContact CB-OH 3.4Å; T134-Y147 WeakPolarHBondContact CG2-OH 3.48Å; T134-Y147 PolarHBondContact OG1-OH 3.39Å; Y136-Y147 VanDerWaalsContact CB-CZ 3.45Å; Y136-Y147 AromaticContact CD1-CD1 3.74Å; Y136-Y147 HydrophobicContact CD1-CD1 3.74Å; Y136-Y147 AromaticContact CD1-CE1 3.14Å; Y136-Y147 HydrophobicContact CD1-CE1 3.14Å; Y136-Y147 HydrophobicContact CD1-CE2 4.28Å; Y136-Y147 AromaticContact CD1-CZ 3.45Å; Y136-Y147 VanDerWaalsContact CD1-CZ 3.45Å; Y136-Y147 HydrophobicContact CD2-CE1 4.28Å; Y136-Y147 AromaticContact CD2-CZ 3.85Å; Y136-Y147 WeakPolarHBondContact CD2-OH 3.4Å; Y136-Y147 HydrophobicContact CE1-CD1 4.26Å; Y136-Y147 AromaticContact CE1-CE1 3.52Å; Y136-Y147 HydrophobicContact CE1-CE1 3.52Å; Y136-Y147 HydrophobicContact CG-CD1 4.39Å; Y136-Y147 AromaticContact CG-CE1 3.58Å; Y136-Y147 HydrophobicContact CG-CE1 3.58Å; Y136-Y147 AromaticContact CG-CE2 3.97Å; Y136-Y147 HydrophobicContact CG-CE2 3.97Å; Y136-Y147 AromaticContact CG-CZ 3.31Å; T137-Y147 WeakPolarHBondContact O-CA 3.37Å; Y147-V182 HydrophobicContact CD1-CG2 3.69Å; Y147-V182 HydrophobicContact CD2-CG2 4.18Å; Y147-V182 HydrophobicContact CE1-CB 4.42Å; Y147-V182 HydrophobicContact CE1-CG1 3.82Å; Y147-V182 HydrophobicContact CE1-CG2 3.67Å; Y147-V182 HydrophobicContact CE2-CG1 4.44Å; Y147-V182 HydrophobicContact CE2-CG2 4.16Å; Y147-V182 HydrophobicContact CG-CG2 3.96Å; Y147-D193 CarbonylContact O-C 3.29Å; Y147-D193 VanDerWaalsContact O-CA 3.23Å; Y147-D193 WeakPolarHBondContact O-CA 3.31Å; Y147-D193 WeakPolarHBondContact O-CB 3.33Å; Y147-L194 HydrophobicContact CD1-CB 4.29Å; Y147-L194 PolarHBondContact N-O 3.1Å; Y147-L194 PolarHBondContact O-N 3.05Å
148	G	93.8	Very high	91.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	73.6	-151.7	-179.9	0	0	0	0	0	115.4	T137 K146 P150	T137-G148 PolarHBondContact O-N 3.01Å; K146-G148 PolarHBondContact NZ-O 2.79Å; G148-P150 CarbonylContact C-O 3.51Å
149	G	86.5	Confident	90.8	Very high	18 Å²	18	48.1 Å²	48.1	19%	0.186	30%	0.298	C	S	.	.	S	Bend	trans	69.4	75.5	-176	0	0	0	0	0	113.4	K146 W192	K146-G149 PolarHBondContact NZ-O 2.89Å; G149-W192 WeakPolarHBondContact CA-O 3.49Å; G149-W192 PolarHBondContact N-O 3.3Å
150	P	88.8	Confident	90.3	Very high	81 Å²	81	49.1 Å²	49.1	53%	0.526	30%	0.301	S	S	.	.	S	Bend	cis	-80.5	165	5.2	33.9	-37.4	0	0	0	114.1	G148 W192	G148-P150 CarbonylContact C-O 3.51Å; P150-W192 HydrophobicContact CB-CH2 3.71Å; P150-W192 HydrophobicContact CB-CZ2 3.88Å; P150-W192 HydrophobicContact CB-CZ3 4.11Å
151	P	92.1	Very high	89.9	Confident	10 Å²	10	48.7 Å²	48.7	7%	0.065	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-72.5	170.1	163.2	34.9	-35.9	0	0	0	110.9	Y136 Y156 W192	Y136-P151 HydrophobicContact CD1-CB 4.44Å; Y136-P151 HydrophobicContact CE1-CB 3.6Å; Y136-P151 HydrophobicContact CE2-CB 4.42Å; Y136-P151 WeakPolarHBondContact OH-CB 3.33Å; P151-Y156 HydrophobicContact CG-CD1 4.39Å; P151-W192 HydrophobicContact CG-CD2 4.48Å; P151-W192 HydrophobicContact CG-CE3 3.87Å; P151-W192 HydrophobicContact CG-CZ3 4.42Å
152	P	91.9	Very high	89.5	Confident	26 Å²	26	46.9 Å²	46.9	17%	0.169	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-66.5	145.6	172	-21.1	35.4	0	0	0	112.3	G135 Y136 S154 V155 Y156	G135-P152 VanDerWaalsContact C-CG 3.47Å; G135-P152 WeakPolarHBondContact O-CG 3.5Å; Y136-P152 HydrophobicContact CD2-CG 3.74Å; Y136-P152 HydrophobicContact CE2-CG 4.1Å; Y136-P152 HydrophobicContact CG-CG 4.29Å; P152-S154 PolarHBondContact O-N 3.24Å; P152-V155 PolarHBondContact O-N 3.1Å; P152-Y156 PolarHBondContact O-N 3.13Å
153	D	89.1	Confident	89.1	Confident	125 Å²	125	49.2 Å²	49.2	67%	0.668	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.6	179.9	-69.1	-67.3	0	0	0	114.1	V155 S157	D153-V155 VanDerWaalsContact C-N 3.25Å; D153-V155 PolarHBondContact O-N 2.86Å; D153-S157 WeakPolarHBondContact OD1-CB 3.43Å; D153-S157 PolarHBondContact OD1-OG 3.11Å
154	S	88.9	Confident	88.7	Confident	113 Å²	113	48.6 Å²	48.6	79%	0.79	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.8	176.4	56.3	0	0	0	0	114.4	P152	P152-S154 PolarHBondContact O-N 3.24Å
155	V	88.2	Confident	88.6	Confident	64 Å²	64	45.7 Å²	45.7	39%	0.388	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-43.6	178.5	-178	0	0	0	0	110.8	Y136 P152 D153 P190	Y136-V155 HydrophobicContact CE2-CG2 4.2Å; P152-V155 PolarHBondContact O-N 3.1Å; D153-V155 VanDerWaalsContact C-N 3.25Å; D153-V155 PolarHBondContact O-N 2.86Å; V155-P190 HydrophobicContact CG1-CB 3.81Å
156	Y	88.1	Confident	88.5	Confident	63 Å²	63	46.5 Å²	46.5	25%	0.247	29%	0.286	C	S	.	.			trans	-160	128.1	174.1	-179.6	-95.7	0	0	0	109.9	P151 P152 V159 W192 C214	P151-Y156 HydrophobicContact CG-CD1 4.39Å; P152-Y156 PolarHBondContact O-N 3.13Å; Y156-V159 WeakPolarHBondContact CE1-O 3.34Å; Y156-W192 AromaticContact CD1-CE3 3.97Å; Y156-W192 HydrophobicContact CD1-CE3 3.97Å; Y156-W192 AromaticContact CD1-CZ3 3.98Å; Y156-W192 HydrophobicContact CD1-CZ3 3.98Å; Y156-W192 HydrophobicContact CE1-CE3 4.11Å; Y156-W192 AromaticContact CE1-CZ3 3.98Å; Y156-W192 HydrophobicContact CE1-CZ3 3.98Å; Y156-C214 HydrophobicContact CD1-CB 4.04Å; Y156-C214 HydrophobicContact CD2-CB 3.56Å; Y156-C214 HydrophobicContact CE1-CB 4.25Å; Y156-C214 HydrophobicContact CE2-CB 3.79Å; Y156-C214 HydrophobicContact CG-CB 3.68Å; Y156-C214 VanDerWaalsContact CG-SG 3.58Å
157	S	85.5	Confident	88.4	Confident	87 Å²	87	44.1 Å²	44.1	61%	0.608	28%	0.275	S	S	*	.			trans	-121.7	121.2	170.4	-161.2	0	0	0	0	108.2	D153	D153-S157 WeakPolarHBondContact OD1-CB 3.43Å; D153-S157 PolarHBondContact OD1-OG 3.11Å
158	G	83.3	Confident	88.3	Confident	46 Å²	46	47.2 Å²	47.2	47%	0.474	29%	0.289	S	S	.	.	S	Bend	trans	170.5	-175.8	-168.7	0	0	0	0	0	112.4
159	V	85.9	Confident	88.5	Confident	88 Å²	88	47.2 Å²	47.2	53%	0.533	29%	0.289	S	S	.	.	S	Bend	trans	-70.5	166.6	172.7	-69.2	0	0	0	0	111.5	Y156 W192 L536	Y156-V159 WeakPolarHBondContact CE1-O 3.34Å; V159-W192 WeakPolarHBondContact O-CZ3 3.33Å; V159-L536 HydrophobicContact CG2-CB 3.84Å; V159-L536 HydrophobicContact CG2-CD1 4.16Å
160	Q	85.1	Confident	88.9	Confident	53 Å²	53	46.7 Å²	46.7	25%	0.248	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-61.1	154.7	175	179.1	163.3	-12.4	0	0	111.1	W192 A534 P535 L536	Q160-W192 HydrophobicContact CB-CH2 4.14Å; Q160-W192 HydrophobicContact CB-CZ2 3.67Å; Q160-W192 HydrophobicContact CG-CZ2 3.91Å; Q160-A534 VanDerWaalsContact CD-CA 3.45Å; Q160-A534 PolarHBondContact OE1-O 2.84Å; Q160-P535 CarbonylContact O-C 3.51Å; Q160-L536 CarbonylContact O-C 3.59Å; Q160-L536 WeakPolarHBondContact O-CA 3.42Å; Q160-L536 PolarHBondContact O-N 2.75Å
161	P	86.3	Confident	89.2	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.032	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-81.5	157.3	174.5	-21.3	37	0	0	0	115.5	T165 W192 T212 F213 P535 L536	P161-T165 VanDerWaalsContact C-OG1 3.29Å; P161-T165 HydrophobicContact CB-CG2 3.94Å; P161-T165 WeakPolarHBondContact CB-OG1 3.49Å; P161-W192 HydrophobicContact CG-CB 3.65Å; P161-W192 HydrophobicContact CG-CD2 3.94Å; P161-W192 HydrophobicContact CG-CE3 4.08Å; P161-W192 HydrophobicContact CG-CG 3.75Å; P161-T212 HydrophobicContact CB-CG2 3.68Å; P161-T212 HydrophobicContact CG-CG2 3.96Å; P161-F213 WeakPolarHBondContact CB-O 3.28Å; P161-F213 WeakPolarHBondContact CG-O 3.44Å; P161-P535 WeakPolarHBondContact O-CA 3.33Å; P161-L536 WeakPolarHBondContact CA-O 3.46Å; P161-L536 PolarHBondContact O-N 2.73Å
162	G	81.8	Confident	89.4	Confident	13 Å²	13	49.8 Å²	49.8	13%	0.134	29%	0.287	C	S	.	.			trans	-113.2	-166.7	-160.9	0	0	0	0	0	116.8	G164 T165	G162-G164 PolarHBondContact O-N 3.09Å; G162-T165 PolarHBondContact N-OG1 3.04Å; G162-T165 WeakPolarHBondContact O-CB 3.45Å; G162-T165 WeakPolarHBondContact O-CG2 3.44Å; G162-T165 PolarHBondContact O-N 2.83Å; G162-T165 PolarHBondContact O-OG1 3.36Å
163	I	81.4	Confident	89.5	Confident	85 Å²	85	48.8 Å²	48.8	44%	0.436	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	127.1	176.9	-57.6	178.1	0	0	0	109.4	A244	I163-A244 HydrophobicContact CG1-CB 4.22Å; I163-A244 HydrophobicContact CG2-CB 4.39Å
164	G	84	Confident	89.7	Confident	7 Å²	7	48.3 Å²	48.3	7%	0.072	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	6.1	-174.8	0	0	0	0	0	116.2	G162 K216	G162-G164 PolarHBondContact O-N 3.09Å; G164-K216 VanDerWaalsContact O-CG 3.3Å; G164-K216 WeakPolarHBondContact O-CG 3.21Å
165	T	91.4	Very high	89.7	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.018	25%	0.25	C	S	.	.	S	Bend	trans	-95.2	-9.4	170.1	68.8	0	0	0	0	113.6	P161 G162 F213 K216 G537	P161-T165 VanDerWaalsContact C-OG1 3.29Å; P161-T165 HydrophobicContact CB-CG2 3.94Å; P161-T165 WeakPolarHBondContact CB-OG1 3.49Å; G162-T165 PolarHBondContact N-OG1 3.04Å; G162-T165 WeakPolarHBondContact O-CB 3.45Å; G162-T165 WeakPolarHBondContact O-CG2 3.44Å; G162-T165 PolarHBondContact O-N 2.83Å; G162-T165 PolarHBondContact O-OG1 3.36Å; T165-F213 PolarHBondContact O-N 2.89Å; T165-K216 HydrophobicContact CG2-CB 4.14Å; T165-G537 WeakPolarHBondContact CG2-O 3.31Å
166	E	93	Very high	90	Very high	37 Å²	37	43.2 Å²	43.2	17%	0.173	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	140.9	178	-175.7	-178.8	99.4	0	0	110.8	R195 F210 I211 T212 S242	E166-R195 IonicContact OE1-NH2 2.75Å; E166-R195 IonicContact OE2-CZ 3.69Å; E166-R195 IonicContact OE2-NH1 3.69Å; E166-R195 PolarHBondContact OE2-NH1 3.04Å; E166-R195 IonicContact OE2-NH2 3.46Å; E166-R195 PolarHBondContact OE2-NH2 3.29Å; E166-F210 HydrophobicContact CG-CB 4.21Å; E166-F210 HydrophobicContact CG-CD1 4.5Å; E166-F210 VanDerWaalsContact OE1-CD1 3.28Å; E166-F210 WeakPolarHBondContact OE1-CD1 3.31Å; E166-I211 CarbonylContact C-O 3.41Å; E166-I211 WeakPolarHBondContact CA-O 3.4Å; E166-T212 PolarHBondContact OE2-OG1 3.44Å; E166-T212 VanDerWaalsContact OE2-OG1 3.14Å; E166-S242 WeakPolarHBondContact O-CB 3.32Å; E166-S242 PolarHBondContact O-N 2.92Å; E166-S242 WeakPolarHBondContact OE1-CB 3.44Å; E166-S242 PolarHBondContact OE1-OG 3.49Å
167	V	94.9	Very high	90.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.4	166.8	-59.6	0	0	0	0	110.9	V169 F210 I211 F213 A219 A222 V223 V239 C240 I241	V167-V169 HydrophobicContact CG2-CG2 4.04Å; V167-F210 WeakPolarHBondContact O-CA 3.35Å; V167-I211 HydrophobicContact CG2-CB 3.83Å; V167-I211 PolarHBondContact N-O 3.49Å; V167-I211 PolarHBondContact O-N 3.04Å; V167-F213 HydrophobicContact CG1-CE2 4.36Å; V167-F213 HydrophobicContact CG2-CD2 4.43Å; V167-F213 HydrophobicContact CG2-CE2 3.83Å; V167-A219 HydrophobicContact CG1-CB 3.81Å; V167-A219 WeakPolarHBondContact CG1-O 3.28Å; V167-A222 HydrophobicContact CG1-CB 4.37Å; V167-V223 HydrophobicContact CG1-CG2 4.03Å; V167-V239 HydrophobicContact CB-CG1 4.07Å; V167-V239 HydrophobicContact CG1-CG1 4.42Å; V167-V239 HydrophobicContact CG2-CG1 4.22Å; V167-C240 CarbonylContact C-O 3.47Å; V167-C240 WeakPolarHBondContact CA-O 3.42Å; V167-C240 WeakPolarHBondContact CB-O 3.25Å; V167-I241 HydrophobicContact CG1-CD1 4.33Å
168	F	94.8	Very high	90.9	Very high	68 Å²	68	36.7 Å²	36.7	30%	0.298	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	131.3	162.2	168	-89.8	0	0	0	108.4	Y208 F210 V239 C240	F168-Y208 HydrophobicContact CD2-CD2 4.17Å; F168-Y208 AromaticContact CE2-CD2 3.53Å; F168-Y208 HydrophobicContact CE2-CD2 3.53Å; F168-Y208 HydrophobicContact CE2-CE2 4.38Å; F168-Y208 AromaticContact CE2-CG 3.91Å; F168-Y208 HydrophobicContact CE2-CG 3.91Å; F168-Y208 HydrophobicContact CZ-CD2 4.44Å; F168-Y208 HydrophobicContact CZ-CG 4.41Å; F168-F210 HydrophobicContact CB-CD1 4.42Å; F168-F210 HydrophobicContact CB-CE1 4.34Å; F168-F210 HydrophobicContact CD2-CD1 4.42Å; F168-F210 AromaticContact CD2-CE1 3.87Å; F168-F210 HydrophobicContact CD2-CE1 3.87Å; F168-F210 HydrophobicContact CD2-CZ 4.2Å; F168-V239 WeakPolarHBondContact O-CA 3.27Å; F168-C240 PolarHBondContact N-O 3.25Å; F168-C240 PolarHBondContact O-N 2.96Å; F168-C240 VanDerWaalsContact O-N 3.08Å
169	V	96.7	Very high	91.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	110.8	174.7	-175.9	0	0	0	0	107.6	V167 I172 F185 Y208 A209 I211 L237 G238 V239	V167-V169 HydrophobicContact CG2-CG2 4.04Å; V169-I172 HydrophobicContact CB-CD1 4.23Å; V169-I172 HydrophobicContact CG1-CD1 3.86Å; V169-I172 HydrophobicContact CG1-CG1 3.91Å; V169-F185 HydrophobicContact CB-CZ 4.27Å; V169-F185 HydrophobicContact CG1-CE2 3.99Å; V169-F185 HydrophobicContact CG1-CZ 3.76Å; V169-F185 HydrophobicContact CG2-CE1 3.86Å; V169-F185 HydrophobicContact CG2-CE2 3.97Å; V169-F185 HydrophobicContact CG2-CZ 3.43Å; V169-F185 VanDerWaalsContact CG2-CZ 3.43Å; V169-Y208 CarbonylContact O-C 2.79Å; V169-Y208 WeakPolarHBondContact O-CA 3.37Å; V169-Y208 VanDerWaalsContact O-CB 3.32Å; V169-Y208 WeakPolarHBondContact O-CB 3.18Å; V169-A209 PolarHBondContact N-O 3.36Å; V169-A209 PolarHBondContact O-N 3.21Å; V169-I211 HydrophobicContact CG2-CD1 3.8Å; V169-I211 HydrophobicContact CG2-CG1 4.14Å; V169-L237 HydrophobicContact CG1-CD2 4.4Å; V169-G238 CarbonylContact C-O 3.23Å; V169-G238 WeakPolarHBondContact CA-O 3.41Å; V169-V239 HydrophobicContact CG1-CG2 4.27Å; V169-V239 HydrophobicContact CG2-CG1 4.47Å; V169-V239 HydrophobicContact CG2-CG2 4.37Å
170	G	95.7	Very high	91.9	Very high	6 Å²	6	33.7 Å²	33.7	6%	0.062	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	179.4	176.8	0	0	0	0	0	113	I172 G207 G238	G170-I172 PolarHBondContact O-N 2.66Å; G170-G207 CarbonylContact C-O 3.6Å; G170-G238 PolarHBondContact N-O 2.93Å; G170-G238 PolarHBondContact O-N 2.85Å
171	K	95.1	Very high	92.4	Very high	148 Å²	148	31.2 Å²	31.2	64%	0.643	15%	0.15	S	C	*	.	S	Bend	trans	58.8	24.2	-174.8	-55.5	176.2	178	176	0	113.7	G207 H236	K171-G207 PolarHBondContact N-O 2.98Å; K171-H236 VanDerWaalsContact CB-O 3.25Å; K171-H236 WeakPolarHBondContact CB-O 3.37Å; K171-H236 WeakPolarHBondContact CD-O 3.48Å
172	I	96.1	Very high	92.9	Very high	8 Å²	8	31 Å²	31	4%	0.041	15%	0.149	C	C	.	.			trans	-63.8	130.6	178.5	-59.1	-177.3	0	0	0	109.1	V169 G170 L176 L181 L196 G207 A209 L237	V169-I172 HydrophobicContact CB-CD1 4.23Å; V169-I172 HydrophobicContact CG1-CD1 3.86Å; V169-I172 HydrophobicContact CG1-CG1 3.91Å; G170-I172 PolarHBondContact O-N 2.66Å; I172-L176 HydrophobicContact CG2-CB 3.89Å; I172-L176 HydrophobicContact CG2-CD2 4Å; I172-L181 HydrophobicContact CD1-CD1 4.1Å; I172-L181 HydrophobicContact CD1-CD2 4.26Å; I172-L196 HydrophobicContact CD1-CD1 4.02Å; I172-G207 PolarHBondContact N-O 3.16Å; I172-G207 VanDerWaalsContact O-CA 3.27Å; I172-G207 WeakPolarHBondContact O-CA 3.35Å; I172-A209 HydrophobicContact CD1-CB 3.63Å; I172-L237 HydrophobicContact CG1-CD2 4.07Å
173	P	94.6	Very high	93.6	Very high	6 Å²	6	32 Å²	32	4%	0.039	15%	0.153	C	C	.	.			trans	-62	142.3	172.2	-18.9	30.1	0	0	0	111.3	D175 L176 N205 I231 R232 K235	P173-D175 WeakPolarHBondContact CB-OD1 3.15Å; P173-D175 PolarHBondContact O-N 2.98Å; P173-D175 VanDerWaalsContact O-N 3.09Å; P173-L176 HydrophobicContact CB-CB 4.15Å; P173-L176 HydrophobicContact CG-CB 4.2Å; P173-L176 WeakPolarHBondContact O-CB 3.07Å; P173-L176 PolarHBondContact O-N 3.44Å; P173-N205 PolarHBondContact O-ND2 2.78Å; P173-I231 HydrophobicContact CG-CG2 3.67Å; P173-R232 HydrophobicContact CB-CG 4.4Å; P173-R232 HydrophobicContact CG-CG 3.97Å; P173-K235 HydrophobicContact CB-CD 3.75Å; P173-K235 HydrophobicContact CG-CB 4.25Å; P173-K235 HydrophobicContact CG-CD 3.7Å
174	R	92.1	Very high	94.3	Very high	114 Å²	114	28.2 Å²	28.2	43%	0.43	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.7	178.5	-64.1	-62.4	-166.7	129.2	17.2	113.8	N205	R174-N205 WeakPolarHBondContact CD-O 3.47Å; R174-N205 PolarHBondContact NH1-O 2.99Å; R174-N205 PolarHBondContact O-ND2 2.73Å
175	D	90.7	Very high	94.9	Very high	71 Å²	71	27.9 Å²	27.9	38%	0.38	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.1	176.6	56.5	-74.1	0	0	0	114.7	P173 R232 K235	P173-D175 WeakPolarHBondContact CB-OD1 3.15Å; P173-D175 PolarHBondContact O-N 2.98Å; P173-D175 VanDerWaalsContact O-N 3.09Å; D175-R232 IonicContact OD2-CZ 3.78Å; D175-R232 IonicContact OD2-NE 3.08Å; D175-R232 PolarHBondContact OD2-NE 3.03Å; D175-R232 IonicContact OD2-NH2 3.94Å; D175-R232 PolarHBondContact OD2-NH2 3.41Å; D175-R232 VanDerWaalsContact OD2-NH2 3.15Å; D175-K235 IonicContact OD1-NZ 3.53Å; D175-K235 PolarHBondContact OD1-NZ 3.31Å; D175-K235 VanDerWaalsContact OD1-NZ 3.13Å
176	L	94.3	Very high	95.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.143	C	C	.	.			trans	-100.1	135.1	-175.3	-157.9	83.6	0	0	0	112.3	I172 P173 E180 L181 N205 I231	I172-L176 HydrophobicContact CG2-CB 3.89Å; I172-L176 HydrophobicContact CG2-CD2 4Å; P173-L176 HydrophobicContact CB-CB 4.15Å; P173-L176 HydrophobicContact CG-CB 4.2Å; P173-L176 WeakPolarHBondContact O-CB 3.07Å; P173-L176 PolarHBondContact O-N 3.44Å; L176-E180 HydrophobicContact CD1-CB 3.61Å; L176-E180 HydrophobicContact CD1-CG 4.13Å; L176-E180 WeakPolarHBondContact CD1-OE2 3.19Å; L176-E180 HydrophobicContact CG-CB 4.14Å; L176-L181 HydrophobicContact CD2-CD1 4.44Å; L176-L181 HydrophobicContact CD2-CD2 3.6Å; L176-L181 HydrophobicContact CD2-CG 3.73Å; L176-L181 HydrophobicContact CG-CG 4.34Å; L176-N205 PolarHBondContact O-ND2 3.46Å; L176-I231 HydrophobicContact CD1-CD1 4.21Å; L176-I231 HydrophobicContact CD1-CG1 3.61Å; L176-I231 HydrophobicContact CD2-CG1 3.73Å; L176-I231 HydrophobicContact CD2-CG2 4.49Å; L176-I231 HydrophobicContact CG-CG1 4.35Å
177	Y	95.6	Very high	95.2	Very high	11 Å²	11	33.4 Å²	33.4	4%	0.043	16%	0.155	C	C	.	.			trans	-132.6	-173.8	-179	-65.5	-89.3	0	0	0	111.8	P122 D179 E180 L181 L196 M198	P122-Y177 HydrophobicContact CB-CD1 3.84Å; P122-Y177 HydrophobicContact CB-CD2 3.88Å; P122-Y177 HydrophobicContact CB-CE1 4.27Å; P122-Y177 HydrophobicContact CB-CE2 4.31Å; P122-Y177 HydrophobicContact CB-CG 3.63Å; P122-Y177 HydrophobicContact CG-CD1 4Å; P122-Y177 HydrophobicContact CG-CE1 4.14Å; P122-Y177 HydrophobicContact CG-CG 4.31Å; Y177-D179 WeakPolarHBondContact CB-OD1 3.34Å; Y177-D179 PolarHBondContact O-N 3.17Å; Y177-E180 PolarHBondContact O-N 2.94Å; Y177-L181 WeakPolarHBondContact O-CG 3.3Å; Y177-L181 PolarHBondContact O-N 3.28Å; Y177-L196 HydrophobicContact CD1-CD2 3.85Å; Y177-L196 HydrophobicContact CG-CD2 4.49Å; Y177-M198 HydrophobicContact CE1-CE 3.94Å
178	E	95.3	Very high	95.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-21.4	179.7	59.8	-86	-162.6	0	0	114.1	I127 L130 L138 R145 E180 V182 L194	I127-E178 HydrophobicContact CD1-CG 3.61Å; I127-E178 WeakPolarHBondContact CD1-OE1 3.5Å; L130-E178 HydrophobicContact CD2-CB 4.39Å; L130-E178 HydrophobicContact CD2-CG 4.27Å; L130-E178 WeakPolarHBondContact CD2-O 2.98Å; L138-E178 WeakPolarHBondContact CD2-OE1 3.44Å; R145-E178 IonicContact CZ-OE1 2.7Å; R145-E178 IonicContact NE-OE1 3.15Å; R145-E178 PolarHBondContact NE-OE1 3.46Å; R145-E178 IonicContact NE-OE2 3.53Å; R145-E178 PolarHBondContact NE-OE2 2.99Å; R145-E178 IonicContact NH2-OE1 2.74Å; R145-E178 PolarHBondContact NH2-OE1 3.24Å; E178-E180 VanDerWaalsContact C-N 3.28Å; E178-E180 PolarHBondContact O-N 3.07Å; E178-V182 HydrophobicContact CB-CG2 4.14Å; E178-V182 VanDerWaalsContact O-CB 3.29Å; E178-V182 WeakPolarHBondContact O-CB 3.11Å; E178-V182 WeakPolarHBondContact O-CG2 3.46Å; E178-V182 PolarHBondContact O-N 3.46Å; E178-L194 HydrophobicContact CB-CD2 4.1Å
179	D	94.9	Very high	95.2	Very high	19 Å²	19	30.9 Å²	30.9	10%	0.102	15%	0.147	C	C	.	.	H	α-helix	trans	-58.7	-35.3	172.9	69.6	-44.5	0	0	0	113.4	K126 I127 Y177 P183	K126-D179 HydrophobicContact CB-CB 3.9Å; K126-D179 HydrophobicContact CD-CB 4.17Å; K126-D179 WeakPolarHBondContact CD-OD2 3.35Å; K126-D179 IonicContact NZ-OD2 3.38Å; K126-D179 PolarHBondContact NZ-OD2 3.47Å; I127-D179 HydrophobicContact CD1-CB 4.16Å; Y177-D179 WeakPolarHBondContact CB-OD1 3.34Å; Y177-D179 PolarHBondContact O-N 3.17Å; D179-P183 WeakPolarHBondContact O-CD 3.3Å; D179-P183 WeakPolarHBondContact O-CG 3.31Å
180	E	95.4	Very high	95.1	Very high	52 Å²	52	32.3 Å²	32.3	24%	0.243	16%	0.156	C	C	.	.	H	α-helix	trans	-103.5	-34.1	178.1	-67.4	-170.3	-125.7	0	0	112.8	L176 Y177 E178 L184 R232	L176-E180 HydrophobicContact CD1-CB 3.61Å; L176-E180 HydrophobicContact CD1-CG 4.13Å; L176-E180 WeakPolarHBondContact CD1-OE2 3.19Å; L176-E180 HydrophobicContact CG-CB 4.14Å; Y177-E180 PolarHBondContact O-N 2.94Å; E178-E180 VanDerWaalsContact C-N 3.28Å; E178-E180 PolarHBondContact O-N 3.07Å; E180-L184 PolarHBondContact O-N 3.38Å; E180-R232 IonicContact OE1-CZ 2.73Å; E180-R232 IonicContact OE1-NH1 2.64Å; E180-R232 PolarHBondContact OE1-NH1 2.97Å; E180-R232 IonicContact OE1-NH2 2.73Å; E180-R232 PolarHBondContact OE1-NH2 3.17Å; E180-R232 IonicContact OE2-CZ 3.06Å; E180-R232 IonicContact OE2-NH1 3.76Å; E180-R232 PolarHBondContact OE2-NH1 2.63Å; E180-R232 IonicContact OE2-NH2 3.13Å; E180-R232 PolarHBondContact OE2-NH2 2.93Å
181	L	96.6	Very high	95.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-66.4	-45.8	177.7	-71.1	164.8	0	0	0	112.1	I172 L176 Y177 L184 F185 L194 L196	I172-L181 HydrophobicContact CD1-CD1 4.1Å; I172-L181 HydrophobicContact CD1-CD2 4.26Å; L176-L181 HydrophobicContact CD2-CD1 4.44Å; L176-L181 HydrophobicContact CD2-CD2 3.6Å; L176-L181 HydrophobicContact CD2-CG 3.73Å; L176-L181 HydrophobicContact CG-CG 4.34Å; Y177-L181 WeakPolarHBondContact O-CG 3.3Å; Y177-L181 PolarHBondContact O-N 3.28Å; L181-L184 PolarHBondContact O-N 3.27Å; L181-L184 VanDerWaalsContact O-N 3.16Å; L181-F185 HydrophobicContact CD2-CD2 4.38Å; L181-F185 HydrophobicContact CD2-CE2 3.95Å; L181-F185 WeakPolarHBondContact O-CD2 3.04Å; L181-F185 PolarHBondContact O-N 2.68Å; L181-L194 HydrophobicContact CB-CD1 3.77Å; L181-L194 HydrophobicContact CD1-CD1 4.48Å; L181-L196 HydrophobicContact CD1-CD1 4.04Å
182	V	97	Very high	95.2	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-63.3	-48	-177.3	174.2	0	0	0	0	111.5	L130 Y147 E178 L184 F185 E186 I191 L194	L130-V182 HydrophobicContact CD1-CB 4.15Å; L130-V182 HydrophobicContact CD1-CG1 3.98Å; L130-V182 HydrophobicContact CD2-CB 4.13Å; L130-V182 HydrophobicContact CD2-CG2 4.18Å; Y147-V182 HydrophobicContact CD1-CG2 3.69Å; Y147-V182 HydrophobicContact CD2-CG2 4.18Å; Y147-V182 HydrophobicContact CE1-CB 4.42Å; Y147-V182 HydrophobicContact CE1-CG1 3.82Å; Y147-V182 HydrophobicContact CE1-CG2 3.67Å; Y147-V182 HydrophobicContact CE2-CG1 4.44Å; Y147-V182 HydrophobicContact CE2-CG2 4.16Å; Y147-V182 HydrophobicContact CG-CG2 3.96Å; E178-V182 HydrophobicContact CB-CG2 4.14Å; E178-V182 VanDerWaalsContact O-CB 3.29Å; E178-V182 WeakPolarHBondContact O-CB 3.11Å; E178-V182 WeakPolarHBondContact O-CG2 3.46Å; E178-V182 PolarHBondContact O-N 3.46Å; V182-L184 PolarHBondContact O-N 2.88Å; V182-F185 PolarHBondContact O-N 2.8Å; V182-E186 VanDerWaalsContact O-CB 3.28Å; V182-E186 WeakPolarHBondContact O-CB 3Å; V182-E186 WeakPolarHBondContact O-CG 3.37Å; V182-E186 PolarHBondContact O-N 2.88Å; V182-I191 HydrophobicContact CG1-CD1 4.33Å; V182-L194 HydrophobicContact CG2-CD1 3.95Å
183	P	95.8	Very high	95.1	Very high	34 Å²	34	26 Å²	26	22%	0.221	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-19.2	174.7	-26.1	37.8	0	0	0	115.5	D179 K187	D179-P183 WeakPolarHBondContact O-CD 3.3Å; D179-P183 WeakPolarHBondContact O-CG 3.31Å; P183-K187 VanDerWaalsContact O-CE 3.23Å; P183-K187 WeakPolarHBondContact O-CE 3.36Å
184	L	95.8	Very high	95.2	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-78.6	-53.1	171.5	179.6	58.8	0	0	0	111	E180 L181 V182 K187 Y229 L237	E180-L184 PolarHBondContact O-N 3.38Å; L181-L184 PolarHBondContact O-N 3.27Å; L181-L184 VanDerWaalsContact O-N 3.16Å; V182-L184 PolarHBondContact O-N 2.88Å; L184-K187 WeakPolarHBondContact O-CB 3.48Å; L184-K187 WeakPolarHBondContact O-CD 3.37Å; L184-K187 WeakPolarHBondContact O-CG 3.41Å; L184-K187 PolarHBondContact O-N 3.03Å; L184-Y229 HydrophobicContact CD1-CD1 4.19Å; L184-Y229 HydrophobicContact CD1-CD2 4.07Å; L184-Y229 HydrophobicContact CD1-CE1 3.95Å; L184-Y229 HydrophobicContact CD1-CE2 3.81Å; L184-Y229 HydrophobicContact CD1-CG 4.26Å; L184-Y229 HydrophobicContact CD2-CD1 3.78Å; L184-Y229 HydrophobicContact CD2-CE1 4.01Å; L184-Y229 HydrophobicContact CD2-CG 4.27Å; L184-L237 HydrophobicContact CD2-CD1 3.54Å
185	F	96.9	Very high	95.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-78.8	-24.3	-173.4	-75.1	-82.2	0	0	0	113.8	V169 L181 V182 K187 A188 I191 I211 F213 A222 C226 L237 V239	V169-F185 HydrophobicContact CB-CZ 4.27Å; V169-F185 HydrophobicContact CG1-CE2 3.99Å; V169-F185 HydrophobicContact CG1-CZ 3.76Å; V169-F185 HydrophobicContact CG2-CE1 3.86Å; V169-F185 HydrophobicContact CG2-CE2 3.97Å; V169-F185 HydrophobicContact CG2-CZ 3.43Å; V169-F185 VanDerWaalsContact CG2-CZ 3.43Å; L181-F185 HydrophobicContact CD2-CD2 4.38Å; L181-F185 HydrophobicContact CD2-CE2 3.95Å; L181-F185 WeakPolarHBondContact O-CD2 3.04Å; L181-F185 PolarHBondContact O-N 2.68Å; V182-F185 PolarHBondContact O-N 2.8Å; F185-K187 PolarHBondContact O-N 3.33Å; F185-A188 PolarHBondContact O-N 2.98Å; F185-A188 VanDerWaalsContact O-N 3.09Å; F185-I191 HydrophobicContact CB-CD1 3.88Å; F185-I211 HydrophobicContact CB-CD1 3.84Å; F185-I211 HydrophobicContact CD1-CD1 3.8Å; F185-I211 HydrophobicContact CD2-CD1 3.33Å; F185-I211 HydrophobicContact CE1-CD1 4.19Å; F185-I211 HydrophobicContact CE2-CD1 3.78Å; F185-I211 HydrophobicContact CG-CD1 3.35Å; F185-I211 HydrophobicContact CZ-CD1 4.19Å; F185-F213 HydrophobicContact CB-CZ 4.07Å; F185-F213 HydrophobicContact CD1-CZ 4.08Å; F185-F213 WeakPolarHBondContact O-CE1 3.37Å; F185-A222 HydrophobicContact CD1-CB 4.03Å; F185-A222 HydrophobicContact CE1-CB 4.32Å; F185-C226 HydrophobicContact CD1-CB 4.24Å; F185-C226 HydrophobicContact CE1-CB 3.52Å; F185-C226 HydrophobicContact CZ-CB 3.76Å; F185-L237 HydrophobicContact CE2-CD1 4.39Å; F185-V239 HydrophobicContact CE1-CG1 4.08Å; F185-V239 HydrophobicContact CE1-CG2 4.04Å; F185-V239 HydrophobicContact CZ-CG2 3.78Å
186	E	95.4	Very high	95.7	Very high	60 Å²	60	19 Å²	19	28%	0.28	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.2	172.8	78.7	-176.4	-156	0	0	113.3	R133 V182	R133-E186 IonicContact CZ-OE1 2.78Å; R133-E186 IonicContact CZ-OE2 2.92Å; R133-E186 VanDerWaalsContact NH1-CD 3.34Å; R133-E186 IonicContact NH1-OE1 3.97Å; R133-E186 PolarHBondContact NH1-OE1 2.82Å; R133-E186 IonicContact NH1-OE2 3.52Å; R133-E186 PolarHBondContact NH1-OE2 3.3Å; R133-E186 IonicContact NH2-OE1 3.27Å; R133-E186 PolarHBondContact NH2-OE1 3.01Å; R133-E186 IonicContact NH2-OE2 3.48Å; R133-E186 PolarHBondContact NH2-OE2 3.42Å; V182-E186 VanDerWaalsContact O-CB 3.28Å; V182-E186 WeakPolarHBondContact O-CB 3Å; V182-E186 WeakPolarHBondContact O-CG 3.37Å; V182-E186 PolarHBondContact O-N 2.88Å
187	K	94.8	Very high	95.8	Very high	96 Å²	96	19.9 Å²	19.9	42%	0.417	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-27.2	175	-60.5	173.1	-175.1	166.7	0	113.4	P183 L184 F185 L225	P183-K187 VanDerWaalsContact O-CE 3.23Å; P183-K187 WeakPolarHBondContact O-CE 3.36Å; L184-K187 WeakPolarHBondContact O-CB 3.48Å; L184-K187 WeakPolarHBondContact O-CD 3.37Å; L184-K187 WeakPolarHBondContact O-CG 3.41Å; L184-K187 PolarHBondContact O-N 3.03Å; F185-K187 PolarHBondContact O-N 3.33Å; K187-L225 HydrophobicContact CB-CD2 3.86Å
188	A	95.3	Very high	95.7	Very high	8 Å²	8	20 Å²	20	7%	0.066	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-20.8	-179.2	0	0	0	0	0	113.1	F185 F213 A218 E221 A222 L225	F185-A188 PolarHBondContact O-N 2.98Å; F185-A188 VanDerWaalsContact O-N 3.09Å; A188-F213 HydrophobicContact CB-CE1 4.35Å; A188-F213 HydrophobicContact CB-CZ 4.35Å; A188-A218 WeakPolarHBondContact O-CB 3.38Å; A188-E221 HydrophobicContact CB-CB 4.36Å; A188-E221 HydrophobicContact CB-CG 4.46Å; A188-A222 HydrophobicContact CB-CB 3.76Å; A188-L225 HydrophobicContact CB-CD2 4.4Å
189	G	94.6	Very high	95.5	Very high	6 Å²	6	21.8 Å²	21.8	6%	0.062	11%	0.109	C	C	.	.	S	Bend	trans	157.6	179.8	173.2	0	0	0	0	0	113.4	I191	G189-I191 PolarHBondContact O-N 3.2Å
190	P	94.8	Very high	95.2	Very high	30 Å²	30	23 Å²	23	20%	0.195	12%	0.117	C	C	.	.			trans	-63.8	122.3	177.5	25.1	-33.7	0	0	0	111.4	V155 C214	V155-P190 HydrophobicContact CG1-CB 3.81Å; P190-C214 HydrophobicContact CB-CB 4.31Å; P190-C214 HydrophobicContact CG-CB 4.04Å; P190-C214 PolarHBondContact O-N 2.82Å; P190-C214 PolarHBondContact O-SG 2.81Å
191	I	96.8	Very high	94.8	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.015	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	132.3	174.3	-62.6	176.1	0	0	0	108.5	Y136 V182 F185 G189 D193 L194 I211 F213	Y136-I191 WeakPolarHBondContact CE1-O 3.07Å; Y136-I191 PolarHBondContact OH-O 3.4Å; V182-I191 HydrophobicContact CG1-CD1 4.33Å; F185-I191 HydrophobicContact CB-CD1 3.88Å; G189-I191 PolarHBondContact O-N 3.2Å; I191-D193 VanDerWaalsContact CG2-C 3.48Å; I191-D193 VanDerWaalsContact CG2-O 3.3Å; I191-D193 WeakPolarHBondContact CG2-O 3.36Å; I191-L194 HydrophobicContact CG2-CB 4.48Å; I191-I211 HydrophobicContact CD1-CG2 4.16Å; I191-I211 HydrophobicContact CG1-CG2 4.04Å; I191-I211 HydrophobicContact CG2-CG2 3.89Å; I191-F213 HydrophobicContact CG1-CD1 4.21Å; I191-F213 HydrophobicContact CG1-CE1 3.84Å; I191-F213 HydrophobicContact CG1-CZ 4.45Å
192	W	95.5	Very high	94.2	Very high	22 Å²	22	22.7 Å²	22.7	8%	0.083	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-54.7	168.2	171.1	-89.6	0	0	0	110.6	G149 P150 P151 Y156 V159 Q160 P161 T212	G149-W192 WeakPolarHBondContact CA-O 3.49Å; G149-W192 PolarHBondContact N-O 3.3Å; P150-W192 HydrophobicContact CB-CH2 3.71Å; P150-W192 HydrophobicContact CB-CZ2 3.88Å; P150-W192 HydrophobicContact CB-CZ3 4.11Å; P151-W192 HydrophobicContact CG-CD2 4.48Å; P151-W192 HydrophobicContact CG-CE3 3.87Å; P151-W192 HydrophobicContact CG-CZ3 4.42Å; Y156-W192 AromaticContact CD1-CE3 3.97Å; Y156-W192 HydrophobicContact CD1-CE3 3.97Å; Y156-W192 AromaticContact CD1-CZ3 3.98Å; Y156-W192 HydrophobicContact CD1-CZ3 3.98Å; Y156-W192 HydrophobicContact CE1-CE3 4.11Å; Y156-W192 AromaticContact CE1-CZ3 3.98Å; Y156-W192 HydrophobicContact CE1-CZ3 3.98Å; V159-W192 WeakPolarHBondContact O-CZ3 3.33Å; Q160-W192 HydrophobicContact CB-CH2 4.14Å; Q160-W192 HydrophobicContact CB-CZ2 3.67Å; Q160-W192 HydrophobicContact CG-CZ2 3.91Å; P161-W192 HydrophobicContact CG-CB 3.65Å; P161-W192 HydrophobicContact CG-CD2 3.94Å; P161-W192 HydrophobicContact CG-CE3 4.08Å; P161-W192 HydrophobicContact CG-CG 3.75Å; W192-T212 WeakPolarHBondContact CA-O 3.44Å; W192-T212 HydrophobicContact CB-CG2 4.15Å; W192-T212 WeakPolarHBondContact CB-O 3.48Å; W192-T212 HydrophobicContact CG-CG2 4.32Å; W192-T212 PolarHBondContact N-O 3.39Å
193	D	95.3	Very high	93.6	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.027	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	158.2	168.7	90.8	-7.3	0	0	0	112.6	K146 Y147 I191 R195 I211 T212	K146-D193 VanDerWaalsContact CE-OD2 3.29Å; K146-D193 WeakPolarHBondContact CE-OD2 3.25Å; Y147-D193 CarbonylContact O-C 3.29Å; Y147-D193 VanDerWaalsContact O-CA 3.23Å; Y147-D193 WeakPolarHBondContact O-CA 3.31Å; Y147-D193 WeakPolarHBondContact O-CB 3.33Å; I191-D193 VanDerWaalsContact CG2-C 3.48Å; I191-D193 VanDerWaalsContact CG2-O 3.3Å; I191-D193 WeakPolarHBondContact CG2-O 3.36Å; D193-R195 VanDerWaalsContact CG-NH1 3.3Å; D193-R195 IonicContact OD1-CZ 2.83Å; D193-R195 IonicContact OD1-NH1 3.12Å; D193-R195 PolarHBondContact OD1-NH1 3.11Å; D193-R195 VanDerWaalsContact OD2-CD 3.28Å; D193-R195 WeakPolarHBondContact OD2-CD 3.46Å; D193-R195 WeakPolarHBondContact OD2-CG 3.17Å; D193-R195 IonicContact OD2-CZ 3.6Å; D193-R195 IonicContact OD2-NH1 2.69Å; D193-R195 PolarHBondContact OD2-NH1 2.85Å; D193-R195 VanDerWaalsContact OD2-NH1 3.08Å; D193-I211 CarbonylContact O-C 3.56Å; D193-I211 WeakPolarHBondContact O-CA 3.05Å; D193-T212 PolarHBondContact N-O 3.29Å; D193-T212 VanDerWaalsContact N-O 3.14Å; D193-T212 PolarHBondContact O-N 3.45Å; D193-T212 WeakPolarHBondContact OD1-CB 3.45Å; D193-T212 PolarHBondContact OD1-OG1 3.04Å
194	L	97.1	Very high	93.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.3	167.7	172.6	156.6	0	0	0	107.5	K146 Y147 E178 L181 V182 I191 L196 F210 I211	K146-L194 CarbonylContact C-O 3.43Å; K146-L194 WeakPolarHBondContact CA-O 3.47Å; Y147-L194 HydrophobicContact CD1-CB 4.29Å; Y147-L194 PolarHBondContact N-O 3.1Å; Y147-L194 PolarHBondContact O-N 3.05Å; E178-L194 HydrophobicContact CB-CD2 4.1Å; L181-L194 HydrophobicContact CB-CD1 3.77Å; L181-L194 HydrophobicContact CD1-CD1 4.48Å; V182-L194 HydrophobicContact CG2-CD1 3.95Å; I191-L194 HydrophobicContact CG2-CB 4.48Å; L194-L196 HydrophobicContact CD2-CB 4.05Å; L194-F210 CarbonylContact C-O 3.5Å; L194-F210 WeakPolarHBondContact CA-O 3.29Å; L194-I211 HydrophobicContact CB-CG1 4.18Å; L194-I211 HydrophobicContact CD1-CD1 3.7Å; L194-I211 HydrophobicContact CD1-CG1 3.86Å; L194-I211 HydrophobicContact CG-CD1 4.3Å; L194-I211 HydrophobicContact CG-CG1 3.88Å
195	R	95.5	Very high	93.2	Very high	44 Å²	44	24.8 Å²	24.8	17%	0.166	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	90.1	-179.1	-56.4	-171	-56.7	-83.7	-0.2	109.2	R145 K146 E166 D193 A209 F210 T212	R145-R195 CarbonylContact O-C 3.37Å; R145-R195 WeakPolarHBondContact O-CA 3.4Å; K146-R195 HydrophobicContact CB-CG 4.35Å; K146-R195 HydrophobicContact CD-CG 4.25Å; K146-R195 HydrophobicContact CG-CG 4.1Å; E166-R195 IonicContact OE1-NH2 2.75Å; E166-R195 IonicContact OE2-CZ 3.69Å; E166-R195 IonicContact OE2-NH1 3.69Å; E166-R195 PolarHBondContact OE2-NH1 3.04Å; E166-R195 IonicContact OE2-NH2 3.46Å; E166-R195 PolarHBondContact OE2-NH2 3.29Å; D193-R195 VanDerWaalsContact CG-NH1 3.3Å; D193-R195 IonicContact OD1-CZ 2.83Å; D193-R195 IonicContact OD1-NH1 3.12Å; D193-R195 PolarHBondContact OD1-NH1 3.11Å; D193-R195 VanDerWaalsContact OD2-CD 3.28Å; D193-R195 WeakPolarHBondContact OD2-CD 3.46Å; D193-R195 WeakPolarHBondContact OD2-CG 3.17Å; D193-R195 IonicContact OD2-CZ 3.6Å; D193-R195 IonicContact OD2-NH1 2.69Å; D193-R195 PolarHBondContact OD2-NH1 2.85Å; D193-R195 VanDerWaalsContact OD2-NH1 3.08Å; R195-A209 VanDerWaalsContact O-CA 3.32Å; R195-A209 WeakPolarHBondContact O-CA 3.36Å; R195-F210 PolarHBondContact N-O 2.8Å; R195-F210 PolarHBondContact O-N 2.94Å; R195-T212 PolarHBondContact NH1-OG1 3.48Å; R195-T212 VanDerWaalsContact NH1-OG1 3.14Å
196	L	97.1	Very high	93.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	121.1	174.4	-177.3	61.7	0	0	0	108.7	Q144 R145 I172 Y177 L181 L194 M198 N205 A209	Q144-L196 WeakPolarHBondContact CA-O 3.39Å; R145-L196 HydrophobicContact CB-CB 4.39Å; R145-L196 PolarHBondContact N-O 2.92Å; R145-L196 PolarHBondContact O-N 3.29Å; I172-L196 HydrophobicContact CD1-CD1 4.02Å; Y177-L196 HydrophobicContact CD1-CD2 3.85Å; Y177-L196 HydrophobicContact CG-CD2 4.49Å; L181-L196 HydrophobicContact CD1-CD1 4.04Å; L194-L196 HydrophobicContact CD2-CB 4.05Å; L196-M198 HydrophobicContact CD2-SD 4.22Å; L196-M198 HydrophobicContact CG-SD 4.09Å; L196-N205 HydrophobicContact CD1-CB 3.82Å; L196-N205 HydrophobicContact CD2-CB 4.07Å; L196-N205 HydrophobicContact CG-CB 3.93Å; L196-A209 HydrophobicContact CB-CB 4.45Å; L196-A209 HydrophobicContact CD1-CB 3.94Å
197	M	95.4	Very high	93	Very high	19 Å²	19	28.2 Å²	28.2	9%	0.094	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.7	-176.7	-67.1	-64.6	-46.1	0	0	109.8	Q144 N205 R206 Y208 F210	Q144-M197 HydrophobicContact CG-CE 3.89Å; Q144-M197 HydrophobicContact CG-SD 3.73Å; Q144-M197 PolarHBondContact NE2-SD 2.98Å; M197-N205 CarbonylContact O-C 3.34Å; M197-N205 WeakPolarHBondContact O-CA 3.43Å; M197-R206 HydrophobicContact CB-CB 4.35Å; M197-R206 WeakPolarHBondContact O-CB 3Å; M197-R206 PolarHBondContact O-N 3.22Å; M197-Y208 HydrophobicContact CB-CD1 4.37Å; M197-Y208 HydrophobicContact CB-CD2 4.37Å; M197-Y208 HydrophobicContact CB-CE1 4Å; M197-Y208 HydrophobicContact CB-CE2 4.05Å; M197-Y208 WeakPolarHBondContact CB-O 3.42Å; M197-Y208 HydrophobicContact CG-CD2 3.95Å; M197-Y208 HydrophobicContact CG-CE1 4.35Å; M197-Y208 HydrophobicContact CG-CE2 3.49Å; M197-Y208 VanDerWaalsContact CG-CE2 3.49Å; M197-Y208 PolarHBondContact N-O 3.48Å; M197-Y208 VanDerWaalsContact N-O 3.13Å; M197-F210 HydrophobicContact CG-CD2 4.43Å; M197-F210 HydrophobicContact CG-CE2 4.33Å
198	M	94.4	Very high	93.1	Very high	13 Å²	13	26 Å²	26	6%	0.064	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	150	-179.9	-53.4	-54.9	-69.4	0	0	111.1	G143 R145 Y177 L196 G203 N205 R206	G143-M198 PolarHBondContact O-N 3.5Å; R145-M198 HydrophobicContact CG-CG 3.84Å; R145-M198 HydrophobicContact CG-SD 3.88Å; Y177-M198 HydrophobicContact CE1-CE 3.94Å; L196-M198 HydrophobicContact CD2-SD 4.22Å; L196-M198 HydrophobicContact CG-SD 4.09Å; M198-G203 WeakPolarHBondContact CE-O 3.35Å; M198-N205 HydrophobicContact CE-CB 4.45Å; M198-N205 HydrophobicContact SD-CB 4Å; M198-R206 VanDerWaalsContact C-CD 3.43Å; M198-R206 WeakPolarHBondContact O-CD 3.48Å
199	D	91	Very high	93.2	Very high	38 Å²	38	25.6 Å²	25.6	20%	0.203	14%	0.14	C	C	.	.			trans	-91.9	114.2	168.1	172.3	34.9	0	0	0	108.7	L201 S202 G203 Q204 R206	D199-L201 PolarHBondContact O-N 3.18Å; D199-L201 VanDerWaalsContact O-N 3.13Å; D199-L201 PolarHBondContact OD1-N 3.28Å; D199-S202 PolarHBondContact O-N 3.31Å; D199-S202 WeakPolarHBondContact OD2-CB 2.93Å; D199-S202 PolarHBondContact OD2-N 2.98Å; D199-S202 PolarHBondContact OD2-OG 3.26Å; D199-G203 WeakPolarHBondContact O-CA 3.35Å; D199-G203 PolarHBondContact O-N 2.95Å; D199-Q204 PolarHBondContact N-O 3.22Å; D199-R206 HydrophobicContact CB-CG 3.72Å
200	P	87.9	Confident	93.3	Very high	44 Å²	44	27.7 Å²	27.7	29%	0.286	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.7	-179.5	-19.4	29	0	0	0	113.3	T104 T142	T104-P200 HydrophobicContact CG2-CB 4.11Å; T104-P200 WeakPolarHBondContact CG2-O 3.45Å; T104-P200 WeakPolarHBondContact OG1-CB 3.3Å; T142-P200 WeakPolarHBondContact O-CA 3.31Å; T142-P200 WeakPolarHBondContact O-CB 3.24Å; T142-P200 VanDerWaalsContact O-CG 3.29Å; T142-P200 WeakPolarHBondContact O-CG 3.39Å
201	L	87.2	Confident	93.4	Very high	20 Å²	20	26.2 Å²	26.2	11%	0.105	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-45.2	-175	-68.9	168.3	0	0	0	113.3	T104 Q107 R108 D199	T104-L201 HydrophobicContact CG2-CD2 4.17Å; Q107-L201 HydrophobicContact CB-CD2 4.41Å; Q107-L201 HydrophobicContact CG-CD2 4.23Å; R108-L201 HydrophobicContact CB-CD2 4.15Å; R108-L201 PolarHBondContact NH2-O 2.66Å; D199-L201 PolarHBondContact O-N 3.18Å; D199-L201 VanDerWaalsContact O-N 3.13Å; D199-L201 PolarHBondContact OD1-N 3.28Å
202	S	85.4	Confident	93.3	Very high	27 Å²	27	26.3 Å²	26.3	19%	0.189	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-10.8	-177.6	60.2	0	0	0	0	114.9	D199 Q204	D199-S202 PolarHBondContact O-N 3.31Å; D199-S202 WeakPolarHBondContact OD2-CB 2.93Å; D199-S202 PolarHBondContact OD2-N 2.98Å; D199-S202 PolarHBondContact OD2-OG 3.26Å; S202-Q204 PolarHBondContact O-N 3.41Å; S202-Q204 VanDerWaalsContact O-N 3.1Å
203	G	84.5	Confident	93.3	Very high	45 Å²	45	25.2 Å²	25.2	46%	0.464	13%	0.134	S	C	.	.	S	Bend	trans	73.8	-11.4	-178.1	0	0	0	0	0	115	M198 D199	M198-G203 WeakPolarHBondContact CE-O 3.35Å; D199-G203 WeakPolarHBondContact O-CA 3.35Å; D199-G203 PolarHBondContact O-N 2.95Å
204	Q	89.8	Confident	93.2	Very high	41 Å²	41	25.1 Å²	25.1	19%	0.192	13%	0.134	C	C	.	.	S	Bend	trans	-78.2	165.4	177.4	-65.5	-175.7	-17.2	0	0	112.6	T119 D199 S202	T119-Q204 PolarHBondContact OG1-NE2 2.66Å; D199-Q204 PolarHBondContact N-O 3.22Å; S202-Q204 PolarHBondContact O-N 3.41Å; S202-Q204 VanDerWaalsContact O-N 3.1Å
205	N	93	Very high	92.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	158.7	164.7	80.2	54.4	0	0	0	111.1	P173 R174 L176 L196 M197 M198 G207	P173-N205 PolarHBondContact O-ND2 2.78Å; R174-N205 WeakPolarHBondContact CD-O 3.47Å; R174-N205 PolarHBondContact NH1-O 2.99Å; R174-N205 PolarHBondContact O-ND2 2.73Å; L176-N205 PolarHBondContact O-ND2 3.46Å; L196-N205 HydrophobicContact CD1-CB 3.82Å; L196-N205 HydrophobicContact CD2-CB 4.07Å; L196-N205 HydrophobicContact CG-CB 3.93Å; M197-N205 CarbonylContact O-C 3.34Å; M197-N205 WeakPolarHBondContact O-CA 3.43Å; M198-N205 HydrophobicContact CE-CB 4.45Å; M198-N205 HydrophobicContact SD-CB 4Å; N205-G207 VanDerWaalsContact C-N 3.34Å; N205-G207 WeakPolarHBondContact OD1-CA 3.14Å; N205-G207 PolarHBondContact OD1-N 2.89Å
206	R	93.7	Very high	92.7	Very high	116 Å²	116	25.8 Å²	25.8	44%	0.438	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	13.4	-178.3	-75.3	172.7	61.5	-163.8	-5.3	114.2	M197 M198 D199 Y208	M197-R206 HydrophobicContact CB-CB 4.35Å; M197-R206 WeakPolarHBondContact O-CB 3Å; M197-R206 PolarHBondContact O-N 3.22Å; M198-R206 VanDerWaalsContact C-CD 3.43Å; M198-R206 WeakPolarHBondContact O-CD 3.48Å; D199-R206 HydrophobicContact CB-CG 3.72Å; R206-Y208 VanDerWaalsContact C-N 3.27Å; R206-Y208 HydrophobicContact CB-CD1 3.86Å; R206-Y208 HydrophobicContact CB-CE1 3.7Å; R206-Y208 VanDerWaalsContact CZ-OH 3.31Å; R206-Y208 PolarHBondContact NH1-OH 2.75Å; R206-Y208 PolarHBondContact NH2-OH 3.39Å; R206-Y208 VanDerWaalsContact NH2-OH 3.13Å; R206-Y208 PolarHBondContact O-N 3.04Å
207	G	95	Very high	92.5	Very high	15 Å²	15	28.9 Å²	28.9	16%	0.155	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.1	13.3	-173.8	0	0	0	0	0	114.8	G170 K171 I172 N205	G170-G207 CarbonylContact C-O 3.6Å; K171-G207 PolarHBondContact N-O 2.98Å; I172-G207 PolarHBondContact N-O 3.16Å; I172-G207 VanDerWaalsContact O-CA 3.27Å; I172-G207 WeakPolarHBondContact O-CA 3.35Å; N205-G207 VanDerWaalsContact C-N 3.34Å; N205-G207 WeakPolarHBondContact OD1-CA 3.14Å; N205-G207 PolarHBondContact OD1-N 2.89Å
208	Y	96.8	Very high	92.5	Very high	50 Å²	50	28.1 Å²	28.1	20%	0.196	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156	173.3	75.4	-76.9	0	0	0	114.7	F168 V169 M197 R206 F210	F168-Y208 HydrophobicContact CD2-CD2 4.17Å; F168-Y208 AromaticContact CE2-CD2 3.53Å; F168-Y208 HydrophobicContact CE2-CD2 3.53Å; F168-Y208 HydrophobicContact CE2-CE2 4.38Å; F168-Y208 AromaticContact CE2-CG 3.91Å; F168-Y208 HydrophobicContact CE2-CG 3.91Å; F168-Y208 HydrophobicContact CZ-CD2 4.44Å; F168-Y208 HydrophobicContact CZ-CG 4.41Å; V169-Y208 CarbonylContact O-C 2.79Å; V169-Y208 WeakPolarHBondContact O-CA 3.37Å; V169-Y208 VanDerWaalsContact O-CB 3.32Å; V169-Y208 WeakPolarHBondContact O-CB 3.18Å; M197-Y208 HydrophobicContact CB-CD1 4.37Å; M197-Y208 HydrophobicContact CB-CD2 4.37Å; M197-Y208 HydrophobicContact CB-CE1 4Å; M197-Y208 HydrophobicContact CB-CE2 4.05Å; M197-Y208 WeakPolarHBondContact CB-O 3.42Å; M197-Y208 HydrophobicContact CG-CD2 3.95Å; M197-Y208 HydrophobicContact CG-CE1 4.35Å; M197-Y208 HydrophobicContact CG-CE2 3.49Å; M197-Y208 VanDerWaalsContact CG-CE2 3.49Å; M197-Y208 PolarHBondContact N-O 3.48Å; M197-Y208 VanDerWaalsContact N-O 3.13Å; R206-Y208 VanDerWaalsContact C-N 3.27Å; R206-Y208 HydrophobicContact CB-CD1 3.86Å; R206-Y208 HydrophobicContact CB-CE1 3.7Å; R206-Y208 VanDerWaalsContact CZ-OH 3.31Å; R206-Y208 PolarHBondContact NH1-OH 2.75Å; R206-Y208 PolarHBondContact NH2-OH 3.39Å; R206-Y208 VanDerWaalsContact NH2-OH 3.13Å; R206-Y208 PolarHBondContact O-N 3.04Å; Y208-F210 HydrophobicContact CD2-CE2 4.13Å; Y208-F210 HydrophobicContact CD2-CZ 4.41Å; Y208-F210 AromaticContact CE2-CE2 3.75Å; Y208-F210 HydrophobicContact CE2-CE2 3.75Å; Y208-F210 HydrophobicContact CE2-CZ 4.11Å
209	A	97	Very high	92.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	163.2	176.3	0	0	0	0	0	110.6	V169 I172 R195 L196	V169-A209 PolarHBondContact N-O 3.36Å; V169-A209 PolarHBondContact O-N 3.21Å; I172-A209 HydrophobicContact CD1-CB 3.63Å; R195-A209 VanDerWaalsContact O-CA 3.32Å; R195-A209 WeakPolarHBondContact O-CA 3.36Å; L196-A209 HydrophobicContact CB-CB 4.45Å; L196-A209 HydrophobicContact CD1-CB 3.94Å
210	F	95.8	Very high	92.5	Very high	49 Å²	49	28.5 Å²	28.5	22%	0.215	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139	163.3	-61.4	-84.7	0	0	0	108.8	E166 V167 F168 L194 R195 M197 Y208	E166-F210 HydrophobicContact CG-CB 4.21Å; E166-F210 HydrophobicContact CG-CD1 4.5Å; E166-F210 VanDerWaalsContact OE1-CD1 3.28Å; E166-F210 WeakPolarHBondContact OE1-CD1 3.31Å; V167-F210 WeakPolarHBondContact O-CA 3.35Å; F168-F210 HydrophobicContact CB-CD1 4.42Å; F168-F210 HydrophobicContact CB-CE1 4.34Å; F168-F210 HydrophobicContact CD2-CD1 4.42Å; F168-F210 AromaticContact CD2-CE1 3.87Å; F168-F210 HydrophobicContact CD2-CE1 3.87Å; F168-F210 HydrophobicContact CD2-CZ 4.2Å; L194-F210 CarbonylContact C-O 3.5Å; L194-F210 WeakPolarHBondContact CA-O 3.29Å; R195-F210 PolarHBondContact N-O 2.8Å; R195-F210 PolarHBondContact O-N 2.94Å; M197-F210 HydrophobicContact CG-CD2 4.43Å; M197-F210 HydrophobicContact CG-CE2 4.33Å; Y208-F210 HydrophobicContact CD2-CE2 4.13Å; Y208-F210 HydrophobicContact CD2-CZ 4.41Å; Y208-F210 AromaticContact CE2-CE2 3.75Å; Y208-F210 HydrophobicContact CE2-CE2 3.75Å; Y208-F210 HydrophobicContact CE2-CZ 4.11Å
211	I	96.7	Very high	92.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	109.4	175.4	-56.3	178.6	0	0	0	107.8	E166 V167 V169 F185 I191 D193 L194 F213	E166-I211 CarbonylContact C-O 3.41Å; E166-I211 WeakPolarHBondContact CA-O 3.4Å; V167-I211 HydrophobicContact CG2-CB 3.83Å; V167-I211 PolarHBondContact N-O 3.49Å; V167-I211 PolarHBondContact O-N 3.04Å; V169-I211 HydrophobicContact CG2-CD1 3.8Å; V169-I211 HydrophobicContact CG2-CG1 4.14Å; F185-I211 HydrophobicContact CB-CD1 3.84Å; F185-I211 HydrophobicContact CD1-CD1 3.8Å; F185-I211 HydrophobicContact CD2-CD1 3.33Å; F185-I211 HydrophobicContact CE1-CD1 4.19Å; F185-I211 HydrophobicContact CE2-CD1 3.78Å; F185-I211 HydrophobicContact CG-CD1 3.35Å; F185-I211 HydrophobicContact CZ-CD1 4.19Å; I191-I211 HydrophobicContact CD1-CG2 4.16Å; I191-I211 HydrophobicContact CG1-CG2 4.04Å; I191-I211 HydrophobicContact CG2-CG2 3.89Å; D193-I211 CarbonylContact O-C 3.56Å; D193-I211 WeakPolarHBondContact O-CA 3.05Å; L194-I211 HydrophobicContact CB-CG1 4.18Å; L194-I211 HydrophobicContact CD1-CD1 3.7Å; L194-I211 HydrophobicContact CD1-CG1 3.86Å; L194-I211 HydrophobicContact CG-CD1 4.3Å; L194-I211 HydrophobicContact CG-CG1 3.88Å; I211-F213 HydrophobicContact CB-CE2 4.39Å; I211-F213 HydrophobicContact CG2-CD2 4.2Å; I211-F213 HydrophobicContact CG2-CE2 3.81Å; I211-F213 HydrophobicContact CG2-CZ 4.04Å
212	T	94.8	Very high	93.3	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.025	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.2	171.1	-55.1	0	0	0	0	107.9	P161 E166 W192 D193 R195	P161-T212 HydrophobicContact CB-CG2 3.68Å; P161-T212 HydrophobicContact CG-CG2 3.96Å; E166-T212 PolarHBondContact OE2-OG1 3.44Å; E166-T212 VanDerWaalsContact OE2-OG1 3.14Å; W192-T212 WeakPolarHBondContact CA-O 3.44Å; W192-T212 HydrophobicContact CB-CG2 4.15Å; W192-T212 WeakPolarHBondContact CB-O 3.48Å; W192-T212 HydrophobicContact CG-CG2 4.32Å; W192-T212 PolarHBondContact N-O 3.39Å; D193-T212 PolarHBondContact N-O 3.29Å; D193-T212 VanDerWaalsContact N-O 3.14Å; D193-T212 PolarHBondContact O-N 3.45Å; D193-T212 WeakPolarHBondContact OD1-CB 3.45Å; D193-T212 PolarHBondContact OD1-OG1 3.04Å; R195-T212 PolarHBondContact NH1-OG1 3.48Å; R195-T212 VanDerWaalsContact NH1-OG1 3.14Å
213	F	96.2	Very high	93.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	154.7	172.2	-76.1	-85.8	0	0	0	111	P161 T165 V167 F185 A188 I191 I211 G215 A218 A219 A222	P161-F213 WeakPolarHBondContact CB-O 3.28Å; P161-F213 WeakPolarHBondContact CG-O 3.44Å; T165-F213 PolarHBondContact O-N 2.89Å; V167-F213 HydrophobicContact CG1-CE2 4.36Å; V167-F213 HydrophobicContact CG2-CD2 4.43Å; V167-F213 HydrophobicContact CG2-CE2 3.83Å; F185-F213 HydrophobicContact CB-CZ 4.07Å; F185-F213 HydrophobicContact CD1-CZ 4.08Å; F185-F213 WeakPolarHBondContact O-CE1 3.37Å; A188-F213 HydrophobicContact CB-CE1 4.35Å; A188-F213 HydrophobicContact CB-CZ 4.35Å; I191-F213 HydrophobicContact CG1-CD1 4.21Å; I191-F213 HydrophobicContact CG1-CE1 3.84Å; I191-F213 HydrophobicContact CG1-CZ 4.45Å; I211-F213 HydrophobicContact CB-CE2 4.39Å; I211-F213 HydrophobicContact CG2-CD2 4.2Å; I211-F213 HydrophobicContact CG2-CE2 3.81Å; I211-F213 HydrophobicContact CG2-CZ 4.04Å; F213-G215 PolarHBondContact O-N 2.88Å; F213-A218 HydrophobicContact CB-CB 4.02Å; F213-A218 HydrophobicContact CD1-CB 3.85Å; F213-A218 HydrophobicContact CG-CB 4.03Å; F213-A219 HydrophobicContact CD2-CB 4.1Å; F213-A222 HydrophobicContact CD2-CB 4.45Å; F213-A222 HydrophobicContact CE2-CB 3.45Å; F213-A222 VanDerWaalsContact CE2-CB 3.45Å; F213-A222 HydrophobicContact CZ-CB 3.52Å
214	C	93.9	Very high	94.1	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.02	16%	0.155	C	C	.	.	S	Bend	trans	-66.8	1.4	172.2	-50.9	0	0	0	0	113.9	Y156 P190	Y156-C214 HydrophobicContact CD1-CB 4.04Å; Y156-C214 HydrophobicContact CD2-CB 3.56Å; Y156-C214 HydrophobicContact CE1-CB 4.25Å; Y156-C214 HydrophobicContact CE2-CB 3.79Å; Y156-C214 HydrophobicContact CG-CB 3.68Å; Y156-C214 VanDerWaalsContact CG-SG 3.58Å; P190-C214 HydrophobicContact CB-CB 4.31Å; P190-C214 HydrophobicContact CG-CB 4.04Å; P190-C214 PolarHBondContact O-N 2.82Å; P190-C214 PolarHBondContact O-SG 2.81Å
215	G	91	Very high	94.3	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.01	17%	0.165	C	C	.	.	S	Bend	trans	-166.6	147.1	176.4	0	0	0	0	0	116.6	F213 E217 A218 A219 G537 P538	F213-G215 PolarHBondContact O-N 2.88Å; G215-E217 PolarHBondContact O-N 3.14Å; G215-A218 WeakPolarHBondContact O-CB 3.36Å; G215-A218 PolarHBondContact O-N 3.21Å; G215-A219 PolarHBondContact O-N 3.14Å; G215-A219 VanDerWaalsContact O-N 3.16Å; G215-G537 CarbonylContact C-O 3.59Å; G215-G537 WeakPolarHBondContact CA-O 3.45Å; G215-P538 WeakPolarHBondContact CA-O 3.07Å
216	K	90.5	Very high	94.4	Very high	57 Å²	57	35.6 Å²	35.6	25%	0.248	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-37.4	-175.5	173.3	162.5	179	170.7	0	115.8	G164 T165 A218 A219 Q220 G537 P538	G164-K216 VanDerWaalsContact O-CG 3.3Å; G164-K216 WeakPolarHBondContact O-CG 3.21Å; T165-K216 HydrophobicContact CG2-CB 4.14Å; K216-A218 VanDerWaalsContact C-N 3.28Å; K216-A218 PolarHBondContact O-N 2.67Å; K216-A219 WeakPolarHBondContact O-CB 3.33Å; K216-A219 PolarHBondContact O-N 3.08Å; K216-Q220 WeakPolarHBondContact O-CG 3.5Å; K216-Q220 PolarHBondContact O-N 2.62Å; K216-G537 PolarHBondContact N-O 3.45Å; K216-P538 HydrophobicContact CB-CB 3.91Å; K216-P538 HydrophobicContact CB-CG 4Å
217	E	92.2	Very high	94.3	Very high	65 Å²	65	33.8 Å²	33.8	30%	0.304	16%	0.164	S	C	.	.	H	α-helix	trans	-69.9	-24.8	171.6	-64.9	166.2	-126.1	0	0	112.5	G215 Q220 E221 P539 R540	G215-E217 PolarHBondContact O-N 3.14Å; E217-Q220 PolarHBondContact O-N 3.33Å; E217-E221 WeakPolarHBondContact O-CB 3.39Å; E217-E221 PolarHBondContact O-N 2.92Å; E217-P539 HydrophobicContact CB-CB 3.58Å; E217-P539 HydrophobicContact CB-CG 3.4Å; E217-P539 HydrophobicContact CG-CB 4.19Å; E217-P539 HydrophobicContact CG-CG 3.44Å; E217-P539 VanDerWaalsContact CG-CG 3.44Å; E217-P539 VanDerWaalsContact N-CB 3.31Å; E217-P539 WeakPolarHBondContact OE1-CG 3.42Å; E217-R540 HydrophobicContact CB-CG 4.23Å; E217-R540 WeakPolarHBondContact OE2-CD 3.29Å; E217-R540 IonicContact OE2-CZ 3.22Å; E217-R540 VanDerWaalsContact OE2-CZ 3.31Å; E217-R540 IonicContact OE2-NE 2.98Å; E217-R540 IonicContact OE2-NH1 3.31Å; E217-R540 PolarHBondContact OE2-NH1 2.67Å
218	A	95.3	Very high	94.2	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-70.8	-35.9	172.4	0	0	0	0	0	111	A188 F213 G215 K216 E221 A222	A188-A218 WeakPolarHBondContact O-CB 3.38Å; F213-A218 HydrophobicContact CB-CB 4.02Å; F213-A218 HydrophobicContact CD1-CB 3.85Å; F213-A218 HydrophobicContact CG-CB 4.03Å; G215-A218 WeakPolarHBondContact O-CB 3.36Å; G215-A218 PolarHBondContact O-N 3.21Å; K216-A218 VanDerWaalsContact C-N 3.28Å; K216-A218 PolarHBondContact O-N 2.67Å; A218-E221 PolarHBondContact O-N 2.89Å; A218-A222 VanDerWaalsContact O-CB 3.29Å; A218-A222 WeakPolarHBondContact O-CB 3.44Å; A218-A222 PolarHBondContact O-N 2.66Å
219	A	93.9	Very high	94	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-43.4	168.2	0	0	0	0	0	112.3	V167 F213 G215 K216 A222 V223 I241	V167-A219 HydrophobicContact CG1-CB 3.81Å; V167-A219 WeakPolarHBondContact CG1-O 3.28Å; F213-A219 HydrophobicContact CD2-CB 4.1Å; G215-A219 PolarHBondContact O-N 3.14Å; G215-A219 VanDerWaalsContact O-N 3.16Å; K216-A219 WeakPolarHBondContact O-CB 3.33Å; K216-A219 PolarHBondContact O-N 3.08Å; A219-A222 PolarHBondContact O-N 2.73Å; A219-V223 WeakPolarHBondContact O-CG2 3.2Å; A219-V223 PolarHBondContact O-N 3.49Å; A219-I241 HydrophobicContact CB-CD1 4.05Å
220	Q	92.6	Very high	93.9	Very high	60 Å²	60	43.3 Å²	43.3	28%	0.28	21%	0.212	S	C	.	.	H	α-helix	trans	-67.2	-35.2	174.7	-68.8	174.7	-26.8	0	0	113	K216 E217 V223 K224 I241	K216-Q220 WeakPolarHBondContact O-CG 3.5Å; K216-Q220 PolarHBondContact O-N 2.62Å; E217-Q220 PolarHBondContact O-N 3.33Å; Q220-V223 PolarHBondContact O-N 2.84Å; Q220-K224 VanDerWaalsContact O-CG 3.28Å; Q220-K224 WeakPolarHBondContact O-CG 3.02Å; Q220-K224 PolarHBondContact O-N 2.67Å; Q220-I241 HydrophobicContact CG-CD1 4.15Å
221	E	94.6	Very high	93.8	Very high	44 Å²	44	42.2 Å²	42.2	21%	0.206	21%	0.208	C	C	.	.	H	α-helix	trans	-71.6	-34.6	176.1	-166.2	158.3	142.5	0	0	110.7	A188 E217 A218 K224 L225 R540	A188-E221 HydrophobicContact CB-CB 4.36Å; A188-E221 HydrophobicContact CB-CG 4.46Å; E217-E221 WeakPolarHBondContact O-CB 3.39Å; E217-E221 PolarHBondContact O-N 2.92Å; A218-E221 PolarHBondContact O-N 2.89Å; E221-K224 CarbonylContact O-C 3.53Å; E221-K224 PolarHBondContact O-N 3.04Å; E221-L225 WeakPolarHBondContact O-CB 3.48Å; E221-L225 PolarHBondContact O-N 3.31Å; E221-R540 IonicContact OE2-CZ 2.96Å; E221-R540 VanDerWaalsContact OE2-CZ 3.29Å; E221-R540 IonicContact OE2-NE 2.79Å; E221-R540 PolarHBondContact OE2-NE 3.38Å; E221-R540 IonicContact OE2-NH2 2.78Å; E221-R540 PolarHBondContact OE2-NH2 2.64Å
222	A	96.1	Very high	93.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-40.9	171.1	0	0	0	0	0	112.5	V167 F185 A188 F213 A218 A219 L225 C226	V167-A222 HydrophobicContact CG1-CB 4.37Å; F185-A222 HydrophobicContact CD1-CB 4.03Å; F185-A222 HydrophobicContact CE1-CB 4.32Å; A188-A222 HydrophobicContact CB-CB 3.76Å; F213-A222 HydrophobicContact CD2-CB 4.45Å; F213-A222 HydrophobicContact CE2-CB 3.45Å; F213-A222 VanDerWaalsContact CE2-CB 3.45Å; F213-A222 HydrophobicContact CZ-CB 3.52Å; A218-A222 VanDerWaalsContact O-CB 3.29Å; A218-A222 WeakPolarHBondContact O-CB 3.44Å; A218-A222 PolarHBondContact O-N 2.66Å; A219-A222 PolarHBondContact O-N 2.73Å; A222-L225 PolarHBondContact O-N 2.76Å; A222-C226 WeakPolarHBondContact O-CA 3.37Å; A222-C226 VanDerWaalsContact O-CB 3.23Å; A222-C226 WeakPolarHBondContact O-CB 3.46Å; A222-C226 PolarHBondContact O-N 3.43Å
223	V	94.5	Very high	93.5	Very high	38 Å²	38	50.8 Å²	50.8	23%	0.23	26%	0.255	C	S	.	.	H	α-helix	trans	-60.2	-46.7	170.5	172.7	0	0	0	0	110.5	V167 A219 Q220 L225 D227 V239 I241	V167-V223 HydrophobicContact CG1-CG2 4.03Å; A219-V223 WeakPolarHBondContact O-CG2 3.2Å; A219-V223 PolarHBondContact O-N 3.49Å; Q220-V223 PolarHBondContact O-N 2.84Å; V223-L225 VanDerWaalsContact C-N 3.33Å; V223-L225 PolarHBondContact O-N 3.09Å; V223-D227 WeakPolarHBondContact O-CB 3.16Å; V223-D227 PolarHBondContact O-N 3.03Å; V223-V239 HydrophobicContact CG2-CG1 4.08Å; V223-I241 HydrophobicContact CG2-CD1 3.83Å; V223-I241 HydrophobicContact CG2-CG1 4.21Å
224	K	93.3	Very high	93.4	Very high	165 Å²	165	53.4 Å²	53.4	72%	0.717	28%	0.283	S	S	*	.	H	α-helix	trans	-69	-24.5	-178.9	-71.3	168.1	-178.6	175.8	0	114.7	Q220 E221	Q220-K224 VanDerWaalsContact O-CG 3.28Å; Q220-K224 WeakPolarHBondContact O-CG 3.02Å; Q220-K224 PolarHBondContact O-N 2.67Å; E221-K224 CarbonylContact O-C 3.53Å; E221-K224 PolarHBondContact O-N 3.04Å
225	L	93.2	Very high	93.4	Very high	79 Å²	79	57.6 Å²	57.6	41%	0.414	30%	0.301	S	S	.	.	H	α-helix	trans	-103.1	-28.7	-175	-176.6	63.7	0	0	0	113.6	K187 A188 E221 A222 V223	K187-L225 HydrophobicContact CB-CD2 3.86Å; A188-L225 HydrophobicContact CB-CD2 4.4Å; E221-L225 WeakPolarHBondContact O-CB 3.48Å; E221-L225 PolarHBondContact O-N 3.31Å; A222-L225 PolarHBondContact O-N 2.76Å; V223-L225 VanDerWaalsContact C-N 3.33Å; V223-L225 PolarHBondContact O-N 3.09Å
226	C	94.9	Very high	93.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-120.9	-10.5	-169	-55.5	0	0	0	0	114.2	F185 A222 Y229 V239	F185-C226 HydrophobicContact CD1-CB 4.24Å; F185-C226 HydrophobicContact CE1-CB 3.52Å; F185-C226 HydrophobicContact CZ-CB 3.76Å; A222-C226 WeakPolarHBondContact O-CA 3.37Å; A222-C226 VanDerWaalsContact O-CB 3.23Å; A222-C226 WeakPolarHBondContact O-CB 3.46Å; A222-C226 PolarHBondContact O-N 3.43Å; C226-Y229 VanDerWaalsContact O-CB 3.27Å; C226-Y229 WeakPolarHBondContact O-CB 3.15Å; C226-Y229 PolarHBondContact O-N 3.34Å; C226-V239 HydrophobicContact CB-CG2 3.99Å; C226-V239 VanDerWaalsContact O-CG2 3.3Å; C226-V239 WeakPolarHBondContact O-CG2 3.23Å
227	D	92.9	Very high	93.8	Very high	78 Å²	78	58.6 Å²	58.6	42%	0.417	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	139.9	167	-171.6	48.9	0	0	0	110.5	V223 Y229 G238 V239	V223-D227 WeakPolarHBondContact O-CB 3.16Å; V223-D227 PolarHBondContact O-N 3.03Å; D227-Y229 PolarHBondContact O-N 3.18Å; D227-Y229 VanDerWaalsContact O-N 3.1Å; D227-G238 WeakPolarHBondContact OD1-CA 3.03Å; D227-V239 HydrophobicContact CB-CB 4.03Å; D227-V239 PolarHBondContact OD1-N 3.24Å
228	S	92.4	Very high	93.9	Very high	75 Å²	75	56.2 Å²	56.2	52%	0.524	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	20	-172	-55.7	0	0	0	0	114.8	E230 H236 L237	S228-E230 PolarHBondContact O-N 3.49Å; S228-H236 PolarHBondContact O-CD2 3.46Å; S228-L237 VanDerWaalsContact CA-O 3.25Å; S228-L237 WeakPolarHBondContact CA-O 3.41Å; S228-L237 PolarHBondContact N-O 3.32Å
229	Y	93.2	Very high	93.9	Very high	89 Å²	89	56.4 Å²	56.4	35%	0.349	30%	0.3	S	S	.	.			trans	-72.7	123.9	175.7	-177.8	-82	0	0	0	111.2	L184 C226 D227 I231 H236 L237	L184-Y229 HydrophobicContact CD1-CD1 4.19Å; L184-Y229 HydrophobicContact CD1-CD2 4.07Å; L184-Y229 HydrophobicContact CD1-CE1 3.95Å; L184-Y229 HydrophobicContact CD1-CE2 3.81Å; L184-Y229 HydrophobicContact CD1-CG 4.26Å; L184-Y229 HydrophobicContact CD2-CD1 3.78Å; L184-Y229 HydrophobicContact CD2-CE1 4.01Å; L184-Y229 HydrophobicContact CD2-CG 4.27Å; C226-Y229 VanDerWaalsContact O-CB 3.27Å; C226-Y229 WeakPolarHBondContact O-CB 3.15Å; C226-Y229 PolarHBondContact O-N 3.34Å; D227-Y229 PolarHBondContact O-N 3.18Å; D227-Y229 VanDerWaalsContact O-N 3.1Å; Y229-I231 HydrophobicContact CD1-CB 4.26Å; Y229-I231 HydrophobicContact CE1-CB 4.36Å; Y229-I231 HydrophobicContact CE1-CD1 3.99Å; Y229-I231 PolarHBondContact O-N 2.83Å; Y229-H236 CarbonylContact O-C 2.74Å; Y229-H236 WeakPolarHBondContact O-CA 2.99Å; Y229-L237 PolarHBondContact O-N 3.29Å
230	E	94.3	Very high	93.8	Very high	101 Å²	101	59.3 Å²	59.3	47%	0.472	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	111.3	175.6	-169.7	177.6	-148.2	0	0	111.1	S228 R232 P233 G234	S228-E230 PolarHBondContact O-N 3.49Å; E230-R232 WeakPolarHBondContact CG-O 3.49Å; E230-P233 VanDerWaalsContact OE1-CA 3.29Å; E230-P233 WeakPolarHBondContact OE1-CA 3.2Å; E230-G234 PolarHBondContact OE1-N 2.78Å
231	I	93.6	Very high	93.7	Very high	26 Å²	26	59.5 Å²	59.5	13%	0.133	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-16.4	-177.7	-169.2	58.3	0	0	0	113.2	P173 L176 Y229 K235 L237	P173-I231 HydrophobicContact CG-CG2 3.67Å; L176-I231 HydrophobicContact CD1-CD1 4.21Å; L176-I231 HydrophobicContact CD1-CG1 3.61Å; L176-I231 HydrophobicContact CD2-CG1 3.73Å; L176-I231 HydrophobicContact CD2-CG2 4.49Å; L176-I231 HydrophobicContact CG-CG1 4.35Å; Y229-I231 HydrophobicContact CD1-CB 4.26Å; Y229-I231 HydrophobicContact CE1-CB 4.36Å; Y229-I231 HydrophobicContact CE1-CD1 3.99Å; Y229-I231 PolarHBondContact O-N 2.83Å; I231-K235 WeakPolarHBondContact CG2-O 3.49Å; I231-K235 PolarHBondContact N-O 3.41Å; I231-L237 HydrophobicContact CB-CD1 4.33Å; I231-L237 HydrophobicContact CB-CG 4.2Å; I231-L237 HydrophobicContact CG2-CD1 4.44Å; I231-L237 HydrophobicContact CG2-CD2 3.85Å; I231-L237 HydrophobicContact CG2-CG 3.86Å
232	R	93.3	Very high	93.2	Very high	62 Å²	62	58.1 Å²	58.1	23%	0.234	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157	166.9	-56.8	-72	-175.9	-108.7	7.1	106.8	P173 D175 E180 E230 G234 K235	P173-R232 HydrophobicContact CB-CG 4.4Å; P173-R232 HydrophobicContact CG-CG 3.97Å; D175-R232 IonicContact OD2-CZ 3.78Å; D175-R232 IonicContact OD2-NE 3.08Å; D175-R232 PolarHBondContact OD2-NE 3.03Å; D175-R232 IonicContact OD2-NH2 3.94Å; D175-R232 PolarHBondContact OD2-NH2 3.41Å; D175-R232 VanDerWaalsContact OD2-NH2 3.15Å; E180-R232 IonicContact OE1-CZ 2.73Å; E180-R232 IonicContact OE1-NH1 2.64Å; E180-R232 PolarHBondContact OE1-NH1 2.97Å; E180-R232 IonicContact OE1-NH2 2.73Å; E180-R232 PolarHBondContact OE1-NH2 3.17Å; E180-R232 IonicContact OE2-CZ 3.06Å; E180-R232 IonicContact OE2-NH1 3.76Å; E180-R232 PolarHBondContact OE2-NH1 2.63Å; E180-R232 IonicContact OE2-NH2 3.13Å; E180-R232 PolarHBondContact OE2-NH2 2.93Å; E230-R232 WeakPolarHBondContact CG-O 3.49Å; R232-G234 PolarHBondContact O-N 3.38Å; R232-G234 VanDerWaalsContact O-N 3.14Å; R232-K235 HydrophobicContact CB-CB 4Å; R232-K235 HydrophobicContact CB-CD 3.89Å; R232-K235 HydrophobicContact CB-CG 4.02Å; R232-K235 HydrophobicContact CG-CD 4.07Å; R232-K235 PolarHBondContact O-N 2.88Å
233	P	92	Very high	92.4	Very high	121 Å²	121	61.1 Å²	61.1	79%	0.786	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.1	120.6	173.7	-31.1	36.8	0	0	0	112.8	E230 K235	E230-P233 VanDerWaalsContact OE1-CA 3.29Å; E230-P233 WeakPolarHBondContact OE1-CA 3.2Å; P233-K235 PolarHBondContact O-N 2.69Å; P233-K235 VanDerWaalsContact O-N 3.09Å
234	G	93	Very high	91.5	Very high	56 Å²	56	61.1 Å²	61.1	58%	0.577	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	-16	-176.8	0	0	0	0	0	116.3	E230 R232 H236	E230-G234 PolarHBondContact OE1-N 2.78Å; R232-G234 PolarHBondContact O-N 3.38Å; R232-G234 VanDerWaalsContact O-N 3.14Å; G234-H236 PolarHBondContact O-N 2.86Å; G234-H236 PolarHBondContact O-ND1 2.84Å
235	K	94.3	Very high	90.9	Very high	91 Å²	91	56.3 Å²	56.3	40%	0.396	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	96.4	-178.7	-52.6	-173.2	-167	167.4	0	110.7	P173 D175 I231 R232 P233	P173-K235 HydrophobicContact CB-CD 3.75Å; P173-K235 HydrophobicContact CG-CB 4.25Å; P173-K235 HydrophobicContact CG-CD 3.7Å; D175-K235 IonicContact OD1-NZ 3.53Å; D175-K235 PolarHBondContact OD1-NZ 3.31Å; D175-K235 VanDerWaalsContact OD1-NZ 3.13Å; I231-K235 WeakPolarHBondContact CG2-O 3.49Å; I231-K235 PolarHBondContact N-O 3.41Å; R232-K235 HydrophobicContact CB-CB 4Å; R232-K235 HydrophobicContact CB-CD 3.89Å; R232-K235 HydrophobicContact CB-CG 4.02Å; R232-K235 HydrophobicContact CG-CD 4.07Å; R232-K235 PolarHBondContact O-N 2.88Å; P233-K235 PolarHBondContact O-N 2.69Å; P233-K235 VanDerWaalsContact O-N 3.09Å
236	H	94.4	Very high	90.7	Very high	79 Å²	79	53.2 Å²	53.2	37%	0.366	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.1	177.7	-59.1	75.2	0	0	0	110.4	K171 S228 Y229 G234	K171-H236 VanDerWaalsContact CB-O 3.25Å; K171-H236 WeakPolarHBondContact CB-O 3.37Å; K171-H236 WeakPolarHBondContact CD-O 3.48Å; S228-H236 PolarHBondContact O-CD2 3.46Å; Y229-H236 CarbonylContact O-C 2.74Å; Y229-H236 WeakPolarHBondContact O-CA 2.99Å; G234-H236 PolarHBondContact O-N 2.86Å; G234-H236 PolarHBondContact O-ND1 2.84Å
237	L	96.2	Very high	90.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.317	C	S	.	.			trans	-64.8	148.2	172.4	-64.8	178.7	0	0	0	110.7	V169 I172 L184 F185 S228 Y229 I231 V239	V169-L237 HydrophobicContact CG1-CD2 4.4Å; I172-L237 HydrophobicContact CG1-CD2 4.07Å; L184-L237 HydrophobicContact CD2-CD1 3.54Å; F185-L237 HydrophobicContact CE2-CD1 4.39Å; S228-L237 VanDerWaalsContact CA-O 3.25Å; S228-L237 WeakPolarHBondContact CA-O 3.41Å; S228-L237 PolarHBondContact N-O 3.32Å; Y229-L237 PolarHBondContact O-N 3.29Å; I231-L237 HydrophobicContact CB-CD1 4.33Å; I231-L237 HydrophobicContact CB-CG 4.2Å; I231-L237 HydrophobicContact CG2-CD1 4.44Å; I231-L237 HydrophobicContact CG2-CD2 3.85Å; I231-L237 HydrophobicContact CG2-CG 3.86Å; L237-V239 HydrophobicContact CB-CG2 4.47Å
238	G	94.3	Very high	90.6	Very high	15 Å²	15	52.8 Å²	52.8	16%	0.155	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.8	169.1	0	0	0	0	0	109.9	V169 G170 D227	V169-G238 CarbonylContact C-O 3.23Å; V169-G238 WeakPolarHBondContact CA-O 3.41Å; G170-G238 PolarHBondContact N-O 2.93Å; G170-G238 PolarHBondContact O-N 2.85Å; D227-G238 WeakPolarHBondContact OD1-CA 3.03Å
239	V	94.8	Very high	90.8	Very high	6 Å²	6	51.8 Å²	51.8	4%	0.036	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.1	-174.3	-173.4	0	0	0	0	110.4	V167 F168 V169 F185 V223 C226 D227 L237	V167-V239 HydrophobicContact CB-CG1 4.07Å; V167-V239 HydrophobicContact CG1-CG1 4.42Å; V167-V239 HydrophobicContact CG2-CG1 4.22Å; F168-V239 WeakPolarHBondContact O-CA 3.27Å; V169-V239 HydrophobicContact CG1-CG2 4.27Å; V169-V239 HydrophobicContact CG2-CG1 4.47Å; V169-V239 HydrophobicContact CG2-CG2 4.37Å; F185-V239 HydrophobicContact CE1-CG1 4.08Å; F185-V239 HydrophobicContact CE1-CG2 4.04Å; F185-V239 HydrophobicContact CZ-CG2 3.78Å; V223-V239 HydrophobicContact CG2-CG1 4.08Å; C226-V239 HydrophobicContact CB-CG2 3.99Å; C226-V239 VanDerWaalsContact O-CG2 3.3Å; C226-V239 WeakPolarHBondContact O-CG2 3.23Å; D227-V239 HydrophobicContact CB-CB 4.03Å; D227-V239 PolarHBondContact OD1-N 3.24Å; L237-V239 HydrophobicContact CB-CG2 4.47Å
240	C	91.6	Very high	90.8	Very high	61 Å²	61	47.5 Å²	47.5	41%	0.412	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	161.8	175.2	61.9	0	0	0	0	111.2	V167 F168 S242	V167-C240 CarbonylContact C-O 3.47Å; V167-C240 WeakPolarHBondContact CA-O 3.42Å; V167-C240 WeakPolarHBondContact CB-O 3.25Å; F168-C240 PolarHBondContact N-O 3.25Å; F168-C240 PolarHBondContact O-N 2.96Å; F168-C240 VanDerWaalsContact O-N 3.08Å; C240-S242 PolarHBondContact O-N 3.4Å
241	I	90.5	Very high	90.7	Very high	64 Å²	64	42.9 Å²	42.9	33%	0.328	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	129	170.1	-56	-60.8	0	0	0	108.4	V167 A219 Q220 V223	V167-I241 HydrophobicContact CG1-CD1 4.33Å; A219-I241 HydrophobicContact CB-CD1 4.05Å; Q220-I241 HydrophobicContact CG-CD1 4.15Å; V223-I241 HydrophobicContact CG2-CD1 3.83Å; V223-I241 HydrophobicContact CG2-CG1 4.21Å
242	S	84.7	Confident	90.6	Very high	14 Å²	14	44.7 Å²	44.7	10%	0.098	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-71.3	134.3	178.5	-170.4	0	0	0	0	110.2	E166 C240	E166-S242 WeakPolarHBondContact O-CB 3.32Å; E166-S242 PolarHBondContact O-N 2.92Å; E166-S242 WeakPolarHBondContact OE1-CB 3.44Å; E166-S242 PolarHBondContact OE1-OG 3.49Å; C240-S242 PolarHBondContact O-N 3.4Å
243	V	79.5	Confident	90.5	Very high	64 Å²	64	42 Å²	42	39%	0.388	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-93.2	119.8	176.4	-165.5	0	0	0	0	108.8	N245 P328	V243-N245 PolarHBondContact O-N 3.2Å; V243-P328 HydrophobicContact CB-CB 4.18Å; V243-P328 HydrophobicContact CG1-CB 3.63Å
244	A	75	Confident	90.5	Very high	38 Å²	38	37.6 Å²	37.6	31%	0.314	22%	0.222	S	C	.	.			trans	-69.4	99.8	-172.6	0	0	0	0	0	111.4	I163 N246	I163-A244 HydrophobicContact CG1-CB 4.22Å; I163-A244 HydrophobicContact CG2-CB 4.39Å; A244-N246 PolarHBondContact O-N 2.79Å
245	N	81.2	Confident	90.4	Very high	63 Å²	63	39.6 Å²	39.6	34%	0.337	22%	0.215	S	C	.	.			trans	-75.8	59.7	179.4	-73.3	-38.3	0	0	0	111.8	V243 H299 W325	V243-N245 PolarHBondContact O-N 3.2Å; N245-H299 WeakPolarHBondContact CB-ND1 3.36Å; N245-H299 WeakPolarHBondContact O-CA 3.3Å; N245-H299 PolarHBondContact O-ND1 3.18Å; N245-W325 WeakPolarHBondContact O-CZ3 3.24Å
246	N	88.6	Confident	90.1	Very high	14 Å²	14	41.2 Å²	41.2	8%	0.075	23%	0.228	C	C	.	.			trans	-96.1	-5.5	-174.7	-57.9	6.7	0	0	0	112.8	A244 Y296 D298 H299 A302	A244-N246 PolarHBondContact O-N 2.79Å; N246-Y296 PolarHBondContact O-N 3.13Å; N246-D298 VanDerWaalsContact CG-C 3.47Å; N246-D298 WeakPolarHBondContact ND2-CA 3.32Å; N246-H299 WeakPolarHBondContact OD1-CA 3.32Å; N246-H299 WeakPolarHBondContact OD1-CB 3.32Å; N246-H299 PolarHBondContact OD1-N 2.83Å; N246-A302 WeakPolarHBondContact O-CB 3.42Å
247	R	91.8	Very high	90	Very high	69 Å²	69	39.8 Å²	39.8	26%	0.26	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.8	-173.7	-66.4	175.9	176.8	152.7	2.2	111.1	L294 E295 A326	R247-L294 CarbonylContact C-O 3.46Å; R247-L294 WeakPolarHBondContact CA-O 3.27Å; R247-E295 HydrophobicContact CG-CB 4.19Å; R247-E295 HydrophobicContact CG-CG 4.33Å; R247-E295 IonicContact CZ-OE1 3.34Å; R247-E295 VanDerWaalsContact CZ-OE1 3.22Å; R247-E295 IonicContact CZ-OE2 3.57Å; R247-E295 VanDerWaalsContact CZ-OE2 3.31Å; R247-E295 IonicContact NE-OE1 3.05Å; R247-E295 PolarHBondContact NE-OE1 3Å; R247-E295 IonicContact NE-OE2 2.76Å; R247-E295 PolarHBondContact NE-OE2 2.91Å; R247-E295 VanDerWaalsContact NH2-CD 3.3Å; R247-E295 IonicContact NH2-OE1 2.71Å; R247-E295 PolarHBondContact NH2-OE1 2.85Å; R247-E295 IonicContact NH2-OE2 3.49Å; R247-E295 PolarHBondContact NH2-OE2 2.88Å; R247-A326 HydrophobicContact CB-CB 3.66Å; R247-A326 WeakPolarHBondContact O-CB 3.45Å; R247-A326 PolarHBondContact O-N 3.14Å
248	L	94.3	Very high	89.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	140.7	172	-58.8	-176.5	0	0	0	110.5	V250 F293 L294 Y296 A302 A305 R306 V323 E324 W325	L248-V250 HydrophobicContact CB-CG2 4.33Å; L248-F293 CarbonylContact O-C 3.44Å; L248-F293 WeakPolarHBondContact O-CA 3.35Å; L248-F293 WeakPolarHBondContact O-CB 3.3Å; L248-L294 HydrophobicContact CB-CB 4.42Å; L248-L294 PolarHBondContact N-O 3.16Å; L248-L294 PolarHBondContact O-N 2.8Å; L248-Y296 HydrophobicContact CD1-CE2 3.77Å; L248-Y296 HydrophobicContact CG-CD2 4.42Å; L248-Y296 HydrophobicContact CG-CE2 4.03Å; L248-A302 WeakPolarHBondContact CD1-O 3.3Å; L248-A302 HydrophobicContact CD2-CB 4.14Å; L248-A302 HydrophobicContact CG-CB 4.26Å; L248-A305 HydrophobicContact CD1-CB 3.83Å; L248-R306 HydrophobicContact CD1-CB 4.1Å; L248-R306 HydrophobicContact CD2-CB 3.98Å; L248-R306 HydrophobicContact CD2-CG 4.44Å; L248-V323 HydrophobicContact CB-CG1 4.33Å; L248-V323 HydrophobicContact CD1-CG1 3.88Å; L248-E324 WeakPolarHBondContact CA-O 3.29Å; L248-W325 HydrophobicContact CD2-CD2 4.28Å; L248-W325 HydrophobicContact CD2-CE3 3.55Å; L248-W325 HydrophobicContact CD2-CH2 4.42Å; L248-W325 HydrophobicContact CD2-CZ3 3.63Å
249	F	95.3	Very high	89.6	Confident	54 Å²	54	45.6 Å²	45.6	24%	0.237	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134	159.8	170.9	-93.9	0	0	0	108.9	F291 F293 V323 E324	F249-F291 HydrophobicContact CD2-CD2 4.29Å; F249-F291 HydrophobicContact CE2-CB 3.57Å; F249-F291 HydrophobicContact CE2-CD1 4.49Å; F249-F291 AromaticContact CE2-CD2 3.66Å; F249-F291 HydrophobicContact CE2-CD2 3.66Å; F249-F291 HydrophobicContact CE2-CE2 4.48Å; F249-F291 AromaticContact CE2-CG 3.67Å; F249-F291 HydrophobicContact CE2-CG 3.67Å; F249-F291 HydrophobicContact CZ-CB 3.72Å; F249-F291 HydrophobicContact CZ-CG 4.18Å; F249-F293 HydrophobicContact CB-CD1 4.08Å; F249-F293 HydrophobicContact CB-CE1 3.91Å; F249-F293 HydrophobicContact CD2-CD1 4.37Å; F249-F293 AromaticContact CD2-CE1 3.8Å; F249-F293 HydrophobicContact CD2-CE1 3.8Å; F249-F293 AromaticContact CD2-CZ 3.95Å; F249-F293 HydrophobicContact CD2-CZ 3.95Å; F249-F293 HydrophobicContact CG-CE1 4.36Å; F249-V323 WeakPolarHBondContact O-CA 3.14Å; F249-E324 HydrophobicContact CB-CB 4.43Å; F249-E324 HydrophobicContact CD1-CB 4.35Å; F249-E324 PolarHBondContact N-O 2.95Å; F249-E324 PolarHBondContact O-N 2.77Å
250	V	94.2	Very high	89.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	110.9	176.9	-178	0	0	0	0	110.6	L248 I253 F266 F291 C292 L294 V321 T322 V323	L248-V250 HydrophobicContact CB-CG2 4.33Å; V250-I253 HydrophobicContact CG1-CG2 4.09Å; V250-F266 HydrophobicContact CG1-CE1 4.14Å; V250-F266 HydrophobicContact CG1-CE2 4.43Å; V250-F266 HydrophobicContact CG1-CZ 3.63Å; V250-F291 CarbonylContact O-C 3.54Å; V250-F291 WeakPolarHBondContact O-CA 3.48Å; V250-F291 WeakPolarHBondContact O-CB 3.35Å; V250-C292 PolarHBondContact N-O 2.98Å; V250-C292 PolarHBondContact O-N 2.83Å; V250-L294 HydrophobicContact CG2-CD1 3.64Å; V250-L294 HydrophobicContact CG2-CG 3.74Å; V250-V321 HydrophobicContact CG1-CB 3.93Å; V250-V321 HydrophobicContact CG1-CG1 4.3Å; V250-V321 HydrophobicContact CG1-CG2 4.21Å; V250-T322 CarbonylContact C-O 3.51Å; V250-T322 VanDerWaalsContact CA-O 3.31Å; V250-T322 WeakPolarHBondContact CA-O 3.19Å; V250-V323 HydrophobicContact CG1-CG2 4.23Å; V250-V323 HydrophobicContact CG2-CG1 4.26Å; V250-V323 HydrophobicContact CG2-CG2 4.09Å
251	G	92.8	Very high	89.6	Confident	3 Å²	3	50.8 Å²	50.8	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	176.2	177.8	0	0	0	0	0	113.8	I253 V321 T322	G251-I253 PolarHBondContact O-N 2.69Å; G251-V321 WeakPolarHBondContact O-CA 3.45Å; G251-V321 WeakPolarHBondContact O-CB 3.43Å; G251-T322 VanDerWaalsContact CA-OG1 3.25Å; G251-T322 WeakPolarHBondContact CA-OG1 3.37Å; G251-T322 PolarHBondContact N-O 3.32Å; G251-T322 PolarHBondContact N-OG1 3.05Å; G251-T322 PolarHBondContact O-N 2.91Å; G251-T322 VanDerWaalsContact O-N 3.14Å
252	S	90.5	Very high	89.7	Confident	64 Å²	64	47.8 Å²	47.8	45%	0.448	25%	0.252	S	S	.	.	S	Bend	trans	62.4	25.5	-175.9	-55.3	0	0	0	0	114.4	G290	S252-G290 PolarHBondContact N-O 2.78Å
253	I	91.4	Very high	90.2	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.036	26%	0.261	C	S	.	.			trans	-75.8	150.5	170.8	62.7	164.6	0	0	0	111	V250 G251 K255 I262 F266 L278 G290 C292 W317 V321	V250-I253 HydrophobicContact CG1-CG2 4.09Å; G251-I253 PolarHBondContact O-N 2.69Å; I253-K255 PolarHBondContact O-N 2.93Å; I253-I262 HydrophobicContact CD1-CD1 3.68Å; I253-F266 HydrophobicContact CG2-CE2 4.45Å; I253-L278 HydrophobicContact CD1-CD1 3.94Å; I253-G290 VanDerWaalsContact CG1-C 3.41Å; I253-G290 WeakPolarHBondContact CG1-O 3.43Å; I253-G290 PolarHBondContact N-O 2.86Å; I253-C292 HydrophobicContact CD1-CB 3.98Å; I253-W317 HydrophobicContact CB-CZ3 4.32Å; I253-W317 HydrophobicContact CG2-CZ3 4.28Å; I253-V321 HydrophobicContact CG2-CG1 4.26Å
254	P	91.3	Very high	90.8	Very high	27 Å²	27	52.1 Å²	52.1	18%	0.175	27%	0.268	C	S	.	.			trans	-64.8	132.9	175.7	-18.7	31.8	0	0	0	111.4	N256 K257 N288 W317	P254-N256 WeakPolarHBondContact CB-OD1 3.3Å; P254-N256 PolarHBondContact O-N 2.89Å; P254-N256 VanDerWaalsContact O-N 3.13Å; P254-K257 HydrophobicContact CB-CG 3.99Å; P254-K257 HydrophobicContact CG-CG 4.24Å; P254-K257 PolarHBondContact O-N 3.08Å; P254-N288 PolarHBondContact O-ND2 2.79Å; P254-W317 VanDerWaalsContact CD-CZ3 3.49Å; P254-W317 HydrophobicContact CG-CB 4.25Å; P254-W317 HydrophobicContact CG-CD2 4.02Å; P254-W317 HydrophobicContact CG-CE3 3.59Å; P254-W317 HydrophobicContact CG-CG 4.33Å; P254-W317 HydrophobicContact CG-CZ3 4.31Å
255	K	90.9	Very high	91.6	Very high	99 Å²	99	52.6 Å²	52.6	43%	0.43	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.6	-175.1	-68.8	-166.2	170.7	-168.9	0	115	I253 K287 N288	I253-K255 PolarHBondContact O-N 2.93Å; K255-K287 HydrophobicContact CB-CB 4.34Å; K255-K287 CarbonylContact O-C 3.6Å; K255-K287 VanDerWaalsContact O-CA 3.31Å; K255-K287 WeakPolarHBondContact O-CA 3.38Å; K255-N288 WeakPolarHBondContact CA-OD1 3.46Å; K255-N288 WeakPolarHBondContact CG-O 3.28Å; K255-N288 PolarHBondContact O-N 3.1Å; K255-N288 PolarHBondContact O-ND2 3.01Å
256	N	89.8	Confident	92.2	Very high	124 Å²	124	49.6 Å²	49.6	66%	0.663	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	19	-178.2	66.8	-26	0	0	0	113.7	P254	P254-N256 WeakPolarHBondContact CB-OD1 3.3Å; P254-N256 PolarHBondContact O-N 2.89Å; P254-N256 VanDerWaalsContact O-N 3.13Å
257	K	91	Very high	92.4	Very high	49 Å²	49	51.8 Å²	51.8	21%	0.213	26%	0.264	C	S	.	.			trans	-104	130.4	179.1	-68.4	-74.3	167.7	-171.5	0	111.2	P254 N261 I262 N288 W317	P254-K257 HydrophobicContact CB-CG 3.99Å; P254-K257 HydrophobicContact CG-CG 4.24Å; P254-K257 PolarHBondContact O-N 3.08Å; K257-N261 HydrophobicContact CB-CB 4.43Å; K257-N261 HydrophobicContact CD-CB 3.86Å; K257-N261 WeakPolarHBondContact CD-OD1 3.48Å; K257-N261 PolarHBondContact NZ-OD1 3.08Å; K257-I262 HydrophobicContact CB-CD1 4.31Å; K257-I262 HydrophobicContact CB-CG1 3.98Å; K257-N288 PolarHBondContact O-ND2 3.19Å; K257-W317 HydrophobicContact CD-CZ2 3.9Å; K257-W317 HydrophobicContact CG-CD2 4.47Å; K257-W317 HydrophobicContact CG-CH2 4.29Å; K257-W317 HydrophobicContact CG-CZ2 4.1Å
258	T	90.9	Very high	92.4	Very high	64 Å²	64	54 Å²	54	39%	0.393	28%	0.275	S	S	.	.			trans	-81.2	170.8	176.1	71.9	0	0	0	0	111.5	E260 N261 I262	T258-E260 VanDerWaalsContact C-N 3.29Å; T258-E260 WeakPolarHBondContact CB-OE2 3.38Å; T258-E260 PolarHBondContact O-N 2.91Å; T258-E260 PolarHBondContact OG1-OE2 3.4Å; T258-N261 PolarHBondContact O-N 3.14Å; T258-N261 PolarHBondContact OG1-N 3.43Å; T258-I262 WeakPolarHBondContact O-CD1 3.41Å; T258-I262 WeakPolarHBondContact O-CG1 3.28Å; T258-I262 PolarHBondContact O-N 3.34Å; T258-I262 VanDerWaalsContact O-N 3.08Å
259	K	91.6	Very high	92.2	Very high	74 Å²	74	55.4 Å²	55.4	32%	0.322	28%	0.284	S	S	.	.	H	α-helix	trans	-57	-41.8	178.6	169.7	173.4	175.6	141.8	0	112.1	I262 L263 D275 V276 L278	K259-I262 PolarHBondContact O-N 2.89Å; K259-L263 WeakPolarHBondContact O-CB 3.4Å; K259-L263 PolarHBondContact O-N 3.43Å; K259-D275 WeakPolarHBondContact CE-OD1 3.34Å; K259-D275 IonicContact NZ-OD1 2.62Å; K259-D275 PolarHBondContact NZ-OD1 3.13Å; K259-D275 IonicContact NZ-OD2 3.74Å; K259-D275 PolarHBondContact NZ-OD2 2.82Å; K259-V276 VanDerWaalsContact CD-O 3.28Å; K259-V276 WeakPolarHBondContact CD-O 3.23Å; K259-V276 WeakPolarHBondContact CE-O 3.46Å; K259-V276 HydrophobicContact CG-CB 4.12Å; K259-V276 HydrophobicContact CG-CG1 4.47Å; K259-V276 WeakPolarHBondContact CG-O 3.43Å; K259-V276 PolarHBondContact NZ-O 3.11Å; K259-L278 HydrophobicContact CB-CD2 4.44Å
260	E	93.2	Very high	92.1	Very high	116 Å²	116	53.1 Å²	53.1	54%	0.542	27%	0.274	S	S	.	.	H	α-helix	trans	-70.6	-44.4	-177.2	-47.6	65.3	-130.5	0	0	110.6	T258 I262 L263 E264	T258-E260 VanDerWaalsContact C-N 3.29Å; T258-E260 WeakPolarHBondContact CB-OE2 3.38Å; T258-E260 PolarHBondContact O-N 2.91Å; T258-E260 PolarHBondContact OG1-OE2 3.4Å; E260-I262 PolarHBondContact O-N 3.1Å; E260-L263 PolarHBondContact O-N 2.58Å; E260-E264 WeakPolarHBondContact O-CB 3.29Å; E260-E264 PolarHBondContact O-N 3.24Å
261	N	92.4	Very high	92	Very high	60 Å²	60	57.9 Å²	57.9	32%	0.321	30%	0.296	S	S	.	.	H	α-helix	trans	-58.5	-37.5	174.4	-93.9	-139	0	0	0	112	K257 T258 E265	K257-N261 HydrophobicContact CB-CB 4.43Å; K257-N261 HydrophobicContact CD-CB 3.86Å; K257-N261 WeakPolarHBondContact CD-OD1 3.48Å; K257-N261 PolarHBondContact NZ-OD1 3.08Å; T258-N261 PolarHBondContact O-N 3.14Å; T258-N261 PolarHBondContact OG1-N 3.43Å; N261-E265 WeakPolarHBondContact O-CB 3.45Å; N261-E265 PolarHBondContact O-N 2.88Å
262	I	93.2	Very high	91.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-73.2	-47.7	177.3	-64.5	162.2	0	0	0	109.8	I253 K257 T258 K259 E260 E264 E265 F266 V276 L278 L294 W317	I253-I262 HydrophobicContact CD1-CD1 3.68Å; K257-I262 HydrophobicContact CB-CD1 4.31Å; K257-I262 HydrophobicContact CB-CG1 3.98Å; T258-I262 WeakPolarHBondContact O-CD1 3.41Å; T258-I262 WeakPolarHBondContact O-CG1 3.28Å; T258-I262 PolarHBondContact O-N 3.34Å; T258-I262 VanDerWaalsContact O-N 3.08Å; K259-I262 PolarHBondContact O-N 2.89Å; E260-I262 PolarHBondContact O-N 3.1Å; I262-E264 VanDerWaalsContact C-N 3.34Å; I262-E264 PolarHBondContact O-N 3.28Å; I262-E265 PolarHBondContact O-N 3.49Å; I262-F266 HydrophobicContact CG2-CD2 3.6Å; I262-F266 HydrophobicContact CG2-CE2 3.86Å; I262-F266 WeakPolarHBondContact O-CD2 3.35Å; I262-F266 PolarHBondContact O-N 3.24Å; I262-V276 HydrophobicContact CB-CG1 4.04Å; I262-V276 HydrophobicContact CG2-CG1 3.6Å; I262-V276 HydrophobicContact CG2-CG2 4.14Å; I262-L278 HydrophobicContact CD1-CD1 3.48Å; I262-L278 VanDerWaalsContact CD1-CD1 3.48Å; I262-L278 HydrophobicContact CD1-CD2 4Å; I262-L278 HydrophobicContact CD1-CG 4.34Å; I262-L294 HydrophobicContact CG2-CD2 4.19Å; I262-W317 HydrophobicContact CB-CH2 4.4Å; I262-W317 HydrophobicContact CG1-CH2 3.89Å
263	L	94.4	Very high	92.1	Very high	56 Å²	56	57 Å²	57	29%	0.293	29%	0.294	S	S	.	.	H	α-helix	trans	-54.7	-48.4	177	178.1	64.3	0	0	0	111.8	K259 E260 S267 L273 V276	K259-L263 WeakPolarHBondContact O-CB 3.4Å; K259-L263 PolarHBondContact O-N 3.43Å; E260-L263 PolarHBondContact O-N 2.58Å; L263-S267 VanDerWaalsContact O-CB 3.23Å; L263-S267 WeakPolarHBondContact O-CB 3.28Å; L263-S267 PolarHBondContact O-N 3.01Å; L263-S267 PolarHBondContact O-OG 3.19Å; L263-L273 HydrophobicContact CD1-CD2 3.81Å; L263-L273 HydrophobicContact CD1-CG 3.8Å; L263-V276 HydrophobicContact CB-CG2 3.85Å; L263-V276 HydrophobicContact CD1-CG2 4.1Å
264	E	93.4	Very high	92.2	Very high	113 Å²	113	60.9 Å²	60.9	53%	0.528	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-49.8	179	-167	-148.7	133.4	0	0	111.7	E260 I262 S267 K268	E260-E264 WeakPolarHBondContact O-CB 3.29Å; E260-E264 PolarHBondContact O-N 3.24Å; I262-E264 VanDerWaalsContact C-N 3.34Å; I262-E264 PolarHBondContact O-N 3.28Å; E264-S267 PolarHBondContact O-N 2.99Å; E264-K268 WeakPolarHBondContact O-CE 3.12Å; E264-K268 WeakPolarHBondContact O-CG 3.1Å; E264-K268 PolarHBondContact O-N 3.35Å; E264-K268 WeakPolarHBondContact OE1-CE 3.41Å; E264-K268 IonicContact OE1-NZ 2.76Å; E264-K268 PolarHBondContact OE1-NZ 3.32Å
265	E	92.1	Very high	92.2	Very high	48 Å²	48	62 Å²	62	22%	0.224	32%	0.322	C	S	.	.	H	α-helix	trans	-69.8	-39.3	-175.8	-167.2	77.6	162.2	0	0	112.3	N261 I262 K268 V316 W317	N261-E265 WeakPolarHBondContact O-CB 3.45Å; N261-E265 PolarHBondContact O-N 2.88Å; I262-E265 PolarHBondContact O-N 3.49Å; E265-K268 PolarHBondContact O-N 3.44Å; E265-K268 IonicContact OE2-NZ 2.58Å; E265-K268 PolarHBondContact OE2-NZ 3.28Å; E265-V316 HydrophobicContact CB-CG1 4.39Å; E265-V316 HydrophobicContact CG-CG1 3.55Å; E265-W317 HydrophobicContact CB-CH2 4.21Å; E265-W317 HydrophobicContact CB-CZ2 3.48Å; E265-W317 VanDerWaalsContact CB-CZ2 3.48Å; E265-W317 HydrophobicContact CG-CD2 4.38Å; E265-W317 HydrophobicContact CG-CH2 4.46Å; E265-W317 HydrophobicContact CG-CZ2 3.76Å
266	F	93.9	Very high	92.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-71.2	-32	175.4	-80.8	-82.1	0	0	0	112.6	V250 I253 I262 K268 V269 T270 L273 L294 L309 V316 W317 V321	V250-F266 HydrophobicContact CG1-CE1 4.14Å; V250-F266 HydrophobicContact CG1-CE2 4.43Å; V250-F266 HydrophobicContact CG1-CZ 3.63Å; I253-F266 HydrophobicContact CG2-CE2 4.45Å; I262-F266 HydrophobicContact CG2-CD2 3.6Å; I262-F266 HydrophobicContact CG2-CE2 3.86Å; I262-F266 WeakPolarHBondContact O-CD2 3.35Å; I262-F266 PolarHBondContact O-N 3.24Å; F266-K268 PolarHBondContact O-N 2.74Å; F266-V269 HydrophobicContact CD1-CG2 4.35Å; F266-V269 CarbonylContact O-C 3.57Å; F266-V269 WeakPolarHBondContact O-CG2 3.32Å; F266-V269 PolarHBondContact O-N 3.36Å; F266-T270 PolarHBondContact O-N 3.01Å; F266-T270 PolarHBondContact O-OG1 3.42Å; F266-L273 HydrophobicContact CB-CD2 3.6Å; F266-L294 HydrophobicContact CB-CD1 4.19Å; F266-L294 HydrophobicContact CD1-CD1 3.53Å; F266-L294 HydrophobicContact CD2-CD1 4.26Å; F266-L294 HydrophobicContact CD2-CD2 4.29Å; F266-L294 HydrophobicContact CE1-CD1 3.94Å; F266-L294 HydrophobicContact CG-CD1 3.72Å; F266-L294 HydrophobicContact CG-CD2 4.35Å; F266-L294 HydrophobicContact CZ-CD1 4.48Å; F266-L309 HydrophobicContact CD1-CD1 3.88Å; F266-L309 HydrophobicContact CD1-CD2 3.94Å; F266-L309 HydrophobicContact CE1-CD1 3.68Å; F266-L309 HydrophobicContact CE1-CD2 3.66Å; F266-L309 HydrophobicContact CE1-CG 4.31Å; F266-V316 HydrophobicContact CE1-CG1 4.49Å; F266-V316 HydrophobicContact CE1-CG2 3.86Å; F266-V316 HydrophobicContact CE2-CG1 3.97Å; F266-V316 HydrophobicContact CZ-CB 4.32Å; F266-V316 HydrophobicContact CZ-CG1 3.96Å; F266-V316 HydrophobicContact CZ-CG2 3.87Å; F266-W317 HydrophobicContact CE2-CH2 4.23Å; F266-W317 HydrophobicContact CE2-CZ3 4.32Å; F266-V321 HydrophobicContact CE1-CG2 4.35Å; F266-V321 HydrophobicContact CZ-CG1 4.31Å; F266-V321 HydrophobicContact CZ-CG2 4.36Å
267	S	92.6	Very high	92.4	Very high	60 Å²	60	53.7 Å²	53.7	42%	0.42	28%	0.282	S	S	.	.	H	α-helix	trans	-66.6	-22.4	175.2	-60.5	0	0	0	0	113.5	L263 E264 V269	L263-S267 VanDerWaalsContact O-CB 3.23Å; L263-S267 WeakPolarHBondContact O-CB 3.28Å; L263-S267 PolarHBondContact O-N 3.01Å; L263-S267 PolarHBondContact O-OG 3.19Å; E264-S267 PolarHBondContact O-N 2.99Å; S267-V269 VanDerWaalsContact C-N 3.25Å; S267-V269 PolarHBondContact O-N 3.06Å
268	K	91.3	Very high	92.4	Very high	116 Å²	116	52.5 Å²	52.5	50%	0.504	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.1	170.9	-63.2	164.1	-159	171	0	113	E264 E265 F266	E264-K268 WeakPolarHBondContact O-CE 3.12Å; E264-K268 WeakPolarHBondContact O-CG 3.1Å; E264-K268 PolarHBondContact O-N 3.35Å; E264-K268 WeakPolarHBondContact OE1-CE 3.41Å; E264-K268 IonicContact OE1-NZ 2.76Å; E264-K268 PolarHBondContact OE1-NZ 3.32Å; E265-K268 PolarHBondContact O-N 3.44Å; E265-K268 IonicContact OE2-NZ 2.58Å; E265-K268 PolarHBondContact OE2-NZ 3.28Å; F266-K268 PolarHBondContact O-N 2.74Å
269	V	90.6	Very high	92.1	Very high	30 Å²	30	53.3 Å²	53.3	18%	0.182	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-5	-173.2	-63.1	0	0	0	0	114.5	F266 S267 R308 L309 V314	F266-V269 HydrophobicContact CD1-CG2 4.35Å; F266-V269 CarbonylContact O-C 3.57Å; F266-V269 WeakPolarHBondContact O-CG2 3.32Å; F266-V269 PolarHBondContact O-N 3.36Å; S267-V269 VanDerWaalsContact C-N 3.25Å; S267-V269 PolarHBondContact O-N 3.06Å; V269-R308 WeakPolarHBondContact O-CD 3.22Å; V269-R308 PolarHBondContact O-NE 2.7Å; V269-R308 PolarHBondContact O-NH1 2.79Å; V269-L309 HydrophobicContact CG2-CD2 4.07Å; V269-V314 HydrophobicContact CB-CG1 4.05Å; V269-V314 HydrophobicContact CG1-CG1 3.97Å; V269-V314 HydrophobicContact CG2-CG1 4.24Å
270	T	92.5	Very high	91.8	Very high	6 Å²	6	54.1 Å²	54.1	4%	0.037	28%	0.279	C	S	.	.	S	Bend	trans	-143.8	149.8	178.1	62.1	0	0	0	0	110.2	F266 Y296 A305 L309	F266-T270 PolarHBondContact O-N 3.01Å; F266-T270 PolarHBondContact O-OG1 3.42Å; T270-Y296 PolarHBondContact OG1-OH 2.94Å; T270-Y296 VanDerWaalsContact OG1-OH 3.1Å; T270-A305 HydrophobicContact CG2-CB 3.6Å; T270-L309 HydrophobicContact CG2-CD1 4.12Å; T270-L309 HydrophobicContact CG2-CD2 4.39Å; T270-L309 HydrophobicContact CG2-CG 4.16Å
271	E	92	Very high	91.2	Very high	99 Å²	99	50.5 Å²	50.5	46%	0.463	26%	0.262	S	S	.	.	S	Bend	trans	-103.6	136.2	-171.4	-73.2	147	-144.7	0	0	111.3	L273 R308 Q531 R532	E271-L273 VanDerWaalsContact C-N 3.3Å; E271-L273 PolarHBondContact O-N 3.07Å; E271-R308 IonicContact OE1-NH1 2.62Å; E271-Q531 PolarHBondContact OE2-NE2 2.76Å; E271-R532 VanDerWaalsContact C-NH1 3.29Å; E271-R532 PolarHBondContact O-NH1 3.29Å; E271-R532 PolarHBondContact O-NH2 2.9Å
272	G	91.7	Very high	90.2	Very high	33 Å²	33	50 Å²	50	34%	0.34	26%	0.262	S	S	.	.			trans	50	49.5	-179.4	0	0	0	0	0	113.2	Y296 E297 R532	G272-Y296 WeakPolarHBondContact O-CD1 3.4Å; G272-E297 PolarHBondContact O-N 3.13Å; G272-R532 VanDerWaalsContact CA-NH1 3.26Å; G272-R532 PolarHBondContact O-NH2 3.2Å
273	L	94.5	Very high	89.5	Confident	17 Å²	17	56.3 Å²	56.3	9%	0.089	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	125.7	152.1	176.6	59.5	0	0	0	106.9	L263 F266 E271 D275 V276 L294 Y296	L263-L273 HydrophobicContact CD1-CD2 3.81Å; L263-L273 HydrophobicContact CD1-CG 3.8Å; F266-L273 HydrophobicContact CB-CD2 3.6Å; E271-L273 VanDerWaalsContact C-N 3.3Å; E271-L273 PolarHBondContact O-N 3.07Å; L273-D275 WeakPolarHBondContact CD1-O 3.1Å; L273-V276 HydrophobicContact CD2-CG2 4.16Å; L273-L294 HydrophobicContact CD1-CB 3.71Å; L273-L294 HydrophobicContact CD1-CD2 4.12Å; L273-L294 HydrophobicContact CD1-CG 4.34Å; L273-L294 HydrophobicContact CD2-CD2 4.29Å; L273-Y296 HydrophobicContact CB-CD1 4.35Å; L273-Y296 HydrophobicContact CB-CE1 3.89Å; L273-Y296 HydrophobicContact CD1-CE1 4.21Å; L273-Y296 HydrophobicContact CD1-CE2 4.15Å
274	V	92.1	Very high	88.7	Confident	88 Å²	88	55.9 Å²	55.9	53%	0.533	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-45.2	-176.3	174.9	0	0	0	0	110.7	E295 E297	V274-E295 WeakPolarHBondContact CA-O 3.25Å; V274-E295 PolarHBondContact N-O 2.8Å; V274-E297 HydrophobicContact CG2-CB 3.71Å; V274-E297 HydrophobicContact CG2-CG 4.35Å
275	D	92.5	Very high	87.8	Confident	49 Å²	49	53.7 Å²	53.7	26%	0.262	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	161.3	177	-163.4	34.2	0	0	0	114.1	K259 L273 E295	K259-D275 WeakPolarHBondContact CE-OD1 3.34Å; K259-D275 IonicContact NZ-OD1 2.62Å; K259-D275 PolarHBondContact NZ-OD1 3.13Å; K259-D275 IonicContact NZ-OD2 3.74Å; K259-D275 PolarHBondContact NZ-OD2 2.82Å; L273-D275 WeakPolarHBondContact CD1-O 3.1Å; D275-E295 HydrophobicContact CB-CB 4.34Å; D275-E295 PolarHBondContact N-O 3.09Å; D275-E295 VanDerWaalsContact N-O 3.14Å; D275-E295 PolarHBondContact O-N 3.46Å
276	V	93.8	Very high	87.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.5	172.9	177.8	0	0	0	0	109.7	K259 I262 L263 L273 C292 F293 L294	K259-V276 VanDerWaalsContact CD-O 3.28Å; K259-V276 WeakPolarHBondContact CD-O 3.23Å; K259-V276 WeakPolarHBondContact CE-O 3.46Å; K259-V276 HydrophobicContact CG-CB 4.12Å; K259-V276 HydrophobicContact CG-CG1 4.47Å; K259-V276 WeakPolarHBondContact CG-O 3.43Å; K259-V276 PolarHBondContact NZ-O 3.11Å; I262-V276 HydrophobicContact CB-CG1 4.04Å; I262-V276 HydrophobicContact CG2-CG1 3.6Å; I262-V276 HydrophobicContact CG2-CG2 4.14Å; L263-V276 HydrophobicContact CB-CG2 3.85Å; L263-V276 HydrophobicContact CD1-CG2 4.1Å; L273-V276 HydrophobicContact CD2-CG2 4.16Å; V276-C292 HydrophobicContact CG1-CB 4.14Å; V276-F293 WeakPolarHBondContact CA-O 3.34Å; V276-L294 HydrophobicContact CB-CD2 4.45Å; V276-L294 HydrophobicContact CG1-CD2 4.26Å; V276-L294 HydrophobicContact CG2-CD2 3.69Å
277	I	91.2	Very high	86.8	Confident	50 Å²	50	64.9 Å²	64.9	26%	0.256	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	108.3	175.1	-52.1	172.8	0	0	0	107.9	Y279 C292 F293	I277-Y279 HydrophobicContact CG2-CD2 4.49Å; I277-Y279 HydrophobicContact CG2-CE2 3.78Å; I277-C292 CarbonylContact O-C 3.6Å; I277-C292 WeakPolarHBondContact O-CA 3.11Å; I277-F293 HydrophobicContact CB-CB 4.23Å; I277-F293 PolarHBondContact N-O 3.39Å; I277-F293 PolarHBondContact O-N 3.27Å
278	L	89.9	Confident	86.6	Confident	23 Å²	23	62.1 Å²	62.1	12%	0.12	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.7	-177.4	-168.3	63.7	0	0	0	110.6	I253 K259 I262 N288 C292	I253-L278 HydrophobicContact CD1-CD1 3.94Å; K259-L278 HydrophobicContact CB-CD2 4.44Å; I262-L278 HydrophobicContact CD1-CD1 3.48Å; I262-L278 VanDerWaalsContact CD1-CD1 3.48Å; I262-L278 HydrophobicContact CD1-CD2 4Å; I262-L278 HydrophobicContact CD1-CG 4.34Å; L278-N288 HydrophobicContact CD1-CB 3.58Å; L278-N288 HydrophobicContact CD2-CB 4.04Å; L278-N288 HydrophobicContact CG-CB 3.87Å; L278-C292 HydrophobicContact CD1-CB 3.84Å
279	Y	85.8	Confident	86.6	Confident	81 Å²	81	62.3 Å²	62.3	32%	0.318	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.1	173.5	-69.3	-89.2	0	0	0	110.2	I277 N288 R289 F291 F293	I277-Y279 HydrophobicContact CG2-CD2 4.49Å; I277-Y279 HydrophobicContact CG2-CE2 3.78Å; Y279-N288 WeakPolarHBondContact O-CA 3.44Å; Y279-R289 WeakPolarHBondContact O-CG 3.38Å; Y279-R289 PolarHBondContact O-N 3.33Å; Y279-F291 AromaticContact CD2-CE2 3.83Å; Y279-F291 HydrophobicContact CD2-CE2 3.83Å; Y279-F291 HydrophobicContact CD2-CZ 4.46Å; Y279-F291 HydrophobicContact CG-CE2 4.36Å; Y279-F293 HydrophobicContact CD2-CD2 4.31Å; Y279-F293 HydrophobicContact CD2-CE2 4.15Å; Y279-F293 AromaticContact CE2-CD2 3.84Å; Y279-F293 HydrophobicContact CE2-CD2 3.84Å; Y279-F293 AromaticContact CE2-CE2 3.69Å; Y279-F293 HydrophobicContact CE2-CE2 3.69Å
280	H	84.8	Confident	86.6	Confident	92 Å²	92	61.6 Å²	61.6	43%	0.426	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	157.1	177.6	-61.2	102.8	0	0	0	111.8	K285 K287 R289	H280-K285 PolarHBondContact CD2-O 2.85Å; H280-K285 VanDerWaalsContact CD2-O 3.31Å; H280-K287 CarbonylContact C-O 3.55Å; H280-K287 WeakPolarHBondContact CA-O 3.19Å; H280-R289 VanDerWaalsContact O-CD 3.29Å; H280-R289 WeakPolarHBondContact O-CD 3.29Å; H280-R289 VanDerWaalsContact O-CG 3.24Å; H280-R289 WeakPolarHBondContact O-CG 3.28Å
281	Q	80.1	Confident	86.7	Confident	39 Å²	39	63.6 Å²	63.6	18%	0.182	32%	0.316	C	S	.	.			trans	-70.5	138.5	171	-71.3	-162.8	-133.3	0	0	109.6	D283 D284 K287 R289	Q281-D283 PolarHBondContact NE2-OD2 2.83Å; Q281-D283 PolarHBondContact O-N 3.48Å; Q281-D284 CarbonylContact O-C 3.52Å; Q281-D284 PolarHBondContact O-N 2.82Å; Q281-K287 HydrophobicContact CG-CB 4.42Å; Q281-K287 PolarHBondContact N-O 2.79Å; Q281-R289 HydrophobicContact CG-CG 4.19Å
282	P	72.5	Confident	86.8	Confident	49 Å²	49	58.9 Å²	58.9	32%	0.318	29%	0.294	S	S	.	.	S	Bend	trans	-65.6	-30.5	177.4	27.8	-33.7	0	0	0	111.8
283	D	76.7	Confident	87	Confident	134 Å²	134	59.7 Å²	59.7	72%	0.717	29%	0.288	S	S	*	.	S	Bend	trans	-85.6	-18.6	-176.9	-17.2	-88.2	0	0	0	112.9	Q281	Q281-D283 PolarHBondContact NE2-OD2 2.83Å; Q281-D283 PolarHBondContact O-N 3.48Å
284	D	78.5	Confident	87	Confident	47 Å²	47	58.9 Å²	58.9	25%	0.251	28%	0.284	S	S	.	.			trans	-155.3	93.7	179.6	-178	-6.2	0	0	0	110.4	Q281 K286 K287	Q281-D284 CarbonylContact O-C 3.52Å; Q281-D284 PolarHBondContact O-N 2.82Å; D284-K286 PolarHBondContact O-N 2.83Å; D284-K286 VanDerWaalsContact O-N 3.12Å; D284-K286 WeakPolarHBondContact OD1-CB 3.35Å; D284-K286 PolarHBondContact OD1-N 2.88Å; D284-K287 PolarHBondContact O-N 3.05Å; D284-K287 WeakPolarHBondContact OD2-CD 3.34Å; D284-K287 WeakPolarHBondContact OD2-CE 3.45Å; D284-K287 WeakPolarHBondContact OD2-CG 3.4Å; D284-K287 IonicContact OD2-NZ 2.76Å; D284-K287 PolarHBondContact OD2-NZ 3.46Å
285	K	74.3	Confident	87.1	Confident	66 Å²	66	56.5 Å²	56.5	29%	0.287	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.4	-178.3	-63.6	-171.7	177.6	-176.7	0	114.1	H280 K287 N347 E402	H280-K285 PolarHBondContact CD2-O 2.85Å; H280-K285 VanDerWaalsContact CD2-O 3.31Å; K285-K287 PolarHBondContact O-N 3.29Å; K285-N347 PolarHBondContact NZ-OD1 2.98Å; K285-E402 WeakPolarHBondContact CD-OE1 3.36Å; K285-E402 VanDerWaalsContact CE-OE1 3.24Å; K285-E402 WeakPolarHBondContact CE-OE1 3.27Å; K285-E402 IonicContact NZ-OE1 2.66Å; K285-E402 PolarHBondContact NZ-OE1 3.31Å; K285-E402 IonicContact NZ-OE2 3.11Å; K285-E402 PolarHBondContact NZ-OE2 3.14Å
286	K	78.9	Confident	87.1	Confident	192 Å²	192	54.2 Å²	54.2	84%	0.835	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-7	171.8	-59.5	178.8	-179.7	175.7	0	112.6	D284	D284-K286 PolarHBondContact O-N 2.83Å; D284-K286 VanDerWaalsContact O-N 3.12Å; D284-K286 WeakPolarHBondContact OD1-CB 3.35Å; D284-K286 PolarHBondContact OD1-N 2.88Å
287	K	85.9	Confident	86.9	Confident	91 Å²	91	58.8 Å²	58.8	40%	0.396	28%	0.276	S	S	.	.	S	Bend	trans	-113.3	131	175.4	-67.8	-173.9	-177.7	89.7	0	111.2	K255 H280 Q281 D284 K285	K255-K287 HydrophobicContact CB-CB 4.34Å; K255-K287 CarbonylContact O-C 3.6Å; K255-K287 VanDerWaalsContact O-CA 3.31Å; K255-K287 WeakPolarHBondContact O-CA 3.38Å; H280-K287 CarbonylContact C-O 3.55Å; H280-K287 WeakPolarHBondContact CA-O 3.19Å; Q281-K287 HydrophobicContact CG-CB 4.42Å; Q281-K287 PolarHBondContact N-O 2.79Å; D284-K287 PolarHBondContact O-N 3.05Å; D284-K287 WeakPolarHBondContact OD2-CD 3.34Å; D284-K287 WeakPolarHBondContact OD2-CE 3.45Å; D284-K287 WeakPolarHBondContact OD2-CG 3.4Å; D284-K287 IonicContact OD2-NZ 2.76Å; D284-K287 PolarHBondContact OD2-NZ 3.46Å; K285-K287 PolarHBondContact O-N 3.29Å
288	N	89.7	Confident	86.5	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.011	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	160.8	165.3	75.5	55.8	0	0	0	111.1	P254 K255 K257 L278 Y279 G290	P254-N288 PolarHBondContact O-ND2 2.79Å; K255-N288 WeakPolarHBondContact CA-OD1 3.46Å; K255-N288 WeakPolarHBondContact CG-O 3.28Å; K255-N288 PolarHBondContact O-N 3.1Å; K255-N288 PolarHBondContact O-ND2 3.01Å; K257-N288 PolarHBondContact O-ND2 3.19Å; L278-N288 HydrophobicContact CD1-CB 3.58Å; L278-N288 HydrophobicContact CD2-CB 4.04Å; L278-N288 HydrophobicContact CG-CB 3.87Å; Y279-N288 WeakPolarHBondContact O-CA 3.44Å; N288-G290 PolarHBondContact O-N 2.85Å; N288-G290 WeakPolarHBondContact OD1-CA 3.4Å; N288-G290 PolarHBondContact OD1-N 2.84Å
289	R	89.9	Confident	86.3	Confident	120 Å²	120	58.9 Å²	58.9	45%	0.453	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	7.4	-176.7	-65.4	177.1	79.1	151.2	-0.5	114.7	Y279 H280 Q281 F291	Y279-R289 WeakPolarHBondContact O-CG 3.38Å; Y279-R289 PolarHBondContact O-N 3.33Å; H280-R289 VanDerWaalsContact O-CD 3.29Å; H280-R289 WeakPolarHBondContact O-CD 3.29Å; H280-R289 VanDerWaalsContact O-CG 3.24Å; H280-R289 WeakPolarHBondContact O-CG 3.28Å; Q281-R289 HydrophobicContact CG-CG 4.19Å; R289-F291 VanDerWaalsContact C-N 3.3Å; R289-F291 HydrophobicContact CB-CD1 3.77Å; R289-F291 HydrophobicContact CB-CE1 3.43Å; R289-F291 VanDerWaalsContact CB-CE1 3.43Å; R289-F291 HydrophobicContact CB-CZ 4.11Å; R289-F291 HydrophobicContact CG-CE1 4.34Å
290	G	91.2	Very high	86.3	Confident	15 Å²	15	60.4 Å²	60.4	16%	0.155	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.5	8.9	-174.5	0	0	0	0	0	114	S252 I253 N288	S252-G290 PolarHBondContact N-O 2.78Å; I253-G290 VanDerWaalsContact CG1-C 3.41Å; I253-G290 WeakPolarHBondContact CG1-O 3.43Å; I253-G290 PolarHBondContact N-O 2.86Å; N288-G290 PolarHBondContact O-N 2.85Å; N288-G290 WeakPolarHBondContact OD1-CA 3.4Å; N288-G290 PolarHBondContact OD1-N 2.84Å
291	F	94.1	Very high	86.6	Confident	49 Å²	49	56 Å²	56	22%	0.215	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	159.5	173.4	70	-93.6	0	0	0	111.6	F249 V250 Y279 R289 F293	F249-F291 HydrophobicContact CD2-CD2 4.29Å; F249-F291 HydrophobicContact CE2-CB 3.57Å; F249-F291 HydrophobicContact CE2-CD1 4.49Å; F249-F291 AromaticContact CE2-CD2 3.66Å; F249-F291 HydrophobicContact CE2-CD2 3.66Å; F249-F291 HydrophobicContact CE2-CE2 4.48Å; F249-F291 AromaticContact CE2-CG 3.67Å; F249-F291 HydrophobicContact CE2-CG 3.67Å; F249-F291 HydrophobicContact CZ-CB 3.72Å; F249-F291 HydrophobicContact CZ-CG 4.18Å; V250-F291 CarbonylContact O-C 3.54Å; V250-F291 WeakPolarHBondContact O-CA 3.48Å; V250-F291 WeakPolarHBondContact O-CB 3.35Å; Y279-F291 AromaticContact CD2-CE2 3.83Å; Y279-F291 HydrophobicContact CD2-CE2 3.83Å; Y279-F291 HydrophobicContact CD2-CZ 4.46Å; Y279-F291 HydrophobicContact CG-CE2 4.36Å; R289-F291 VanDerWaalsContact C-N 3.3Å; R289-F291 HydrophobicContact CB-CD1 3.77Å; R289-F291 HydrophobicContact CB-CE1 3.43Å; R289-F291 VanDerWaalsContact CB-CE1 3.43Å; R289-F291 HydrophobicContact CB-CZ 4.11Å; R289-F291 HydrophobicContact CG-CE1 4.34Å; F291-F293 HydrophobicContact CD2-CE2 4.24Å; F291-F293 AromaticContact CE2-CE2 3.96Å; F291-F293 HydrophobicContact CE2-CE2 3.96Å
292	C	94.5	Very high	87.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	172.3	169.9	64.1	0	0	0	0	109.8	V250 I253 V276 I277 L278	V250-C292 PolarHBondContact N-O 2.98Å; V250-C292 PolarHBondContact O-N 2.83Å; I253-C292 HydrophobicContact CD1-CB 3.98Å; V276-C292 HydrophobicContact CG1-CB 4.14Å; I277-C292 CarbonylContact O-C 3.6Å; I277-C292 WeakPolarHBondContact O-CA 3.11Å; L278-C292 HydrophobicContact CD1-CB 3.84Å
293	F	95.4	Very high	88.1	Confident	50 Å²	50	51.8 Å²	51.8	22%	0.219	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142	162.5	-57.8	-95.9	0	0	0	110.2	L248 F249 V276 I277 Y279 F291 A326	L248-F293 CarbonylContact O-C 3.44Å; L248-F293 WeakPolarHBondContact O-CA 3.35Å; L248-F293 WeakPolarHBondContact O-CB 3.3Å; F249-F293 HydrophobicContact CB-CD1 4.08Å; F249-F293 HydrophobicContact CB-CE1 3.91Å; F249-F293 HydrophobicContact CD2-CD1 4.37Å; F249-F293 AromaticContact CD2-CE1 3.8Å; F249-F293 HydrophobicContact CD2-CE1 3.8Å; F249-F293 AromaticContact CD2-CZ 3.95Å; F249-F293 HydrophobicContact CD2-CZ 3.95Å; F249-F293 HydrophobicContact CG-CE1 4.36Å; V276-F293 WeakPolarHBondContact CA-O 3.34Å; I277-F293 HydrophobicContact CB-CB 4.23Å; I277-F293 PolarHBondContact N-O 3.39Å; I277-F293 PolarHBondContact O-N 3.27Å; Y279-F293 HydrophobicContact CD2-CD2 4.31Å; Y279-F293 HydrophobicContact CD2-CE2 4.15Å; Y279-F293 AromaticContact CE2-CD2 3.84Å; Y279-F293 HydrophobicContact CE2-CD2 3.84Å; Y279-F293 AromaticContact CE2-CE2 3.69Å; Y279-F293 HydrophobicContact CE2-CE2 3.69Å; F291-F293 HydrophobicContact CD2-CE2 4.24Å; F291-F293 AromaticContact CE2-CE2 3.96Å; F291-F293 HydrophobicContact CE2-CE2 3.96Å; F293-A326 HydrophobicContact CD1-CB 3.71Å; F293-A326 HydrophobicContact CE1-CB 3.97Å
294	L	95.4	Very high	88.8	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.9	176.7	-59.4	-173.9	0	0	0	108.9	R247 L248 V250 I262 F266 L273 V276 Y296 L309	R247-L294 CarbonylContact C-O 3.46Å; R247-L294 WeakPolarHBondContact CA-O 3.27Å; L248-L294 HydrophobicContact CB-CB 4.42Å; L248-L294 PolarHBondContact N-O 3.16Å; L248-L294 PolarHBondContact O-N 2.8Å; V250-L294 HydrophobicContact CG2-CD1 3.64Å; V250-L294 HydrophobicContact CG2-CG 3.74Å; I262-L294 HydrophobicContact CG2-CD2 4.19Å; F266-L294 HydrophobicContact CB-CD1 4.19Å; F266-L294 HydrophobicContact CD1-CD1 3.53Å; F266-L294 HydrophobicContact CD2-CD1 4.26Å; F266-L294 HydrophobicContact CD2-CD2 4.29Å; F266-L294 HydrophobicContact CE1-CD1 3.94Å; F266-L294 HydrophobicContact CG-CD1 3.72Å; F266-L294 HydrophobicContact CG-CD2 4.35Å; F266-L294 HydrophobicContact CZ-CD1 4.48Å; L273-L294 HydrophobicContact CD1-CB 3.71Å; L273-L294 HydrophobicContact CD1-CD2 4.12Å; L273-L294 HydrophobicContact CD1-CG 4.34Å; L273-L294 HydrophobicContact CD2-CD2 4.29Å; V276-L294 HydrophobicContact CB-CD2 4.45Å; V276-L294 HydrophobicContact CG1-CD2 4.26Å; V276-L294 HydrophobicContact CG2-CD2 3.69Å; L294-Y296 HydrophobicContact CB-CD2 4.49Å; L294-Y296 HydrophobicContact CB-CE2 3.62Å; L294-Y296 HydrophobicContact CD1-CE2 4.45Å; L294-Y296 WeakPolarHBondContact CD1-OH 3.43Å; L294-L309 HydrophobicContact CD1-CD1 4.42Å
295	E	92.9	Very high	89.6	Confident	37 Å²	37	45.9 Å²	45.9	17%	0.173	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.9	177.9	174.7	134.3	-123.9	0	0	110.3	R247 V274 D275	R247-E295 HydrophobicContact CG-CB 4.19Å; R247-E295 HydrophobicContact CG-CG 4.33Å; R247-E295 IonicContact CZ-OE1 3.34Å; R247-E295 VanDerWaalsContact CZ-OE1 3.22Å; R247-E295 IonicContact CZ-OE2 3.57Å; R247-E295 VanDerWaalsContact CZ-OE2 3.31Å; R247-E295 IonicContact NE-OE1 3.05Å; R247-E295 PolarHBondContact NE-OE1 3Å; R247-E295 IonicContact NE-OE2 2.76Å; R247-E295 PolarHBondContact NE-OE2 2.91Å; R247-E295 VanDerWaalsContact NH2-CD 3.3Å; R247-E295 IonicContact NH2-OE1 2.71Å; R247-E295 PolarHBondContact NH2-OE1 2.85Å; R247-E295 IonicContact NH2-OE2 3.49Å; R247-E295 PolarHBondContact NH2-OE2 2.88Å; V274-E295 WeakPolarHBondContact CA-O 3.25Å; V274-E295 PolarHBondContact N-O 2.8Å; D275-E295 HydrophobicContact CB-CB 4.34Å; D275-E295 PolarHBondContact N-O 3.09Å; D275-E295 VanDerWaalsContact N-O 3.14Å; D275-E295 PolarHBondContact O-N 3.46Å
296	Y	93.6	Very high	90.5	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	155.7	176	-65.2	-94.6	0	0	0	109.7	N246 L248 T270 G272 L273 L294 D298 A302 A305	N246-Y296 PolarHBondContact O-N 3.13Å; L248-Y296 HydrophobicContact CD1-CE2 3.77Å; L248-Y296 HydrophobicContact CG-CD2 4.42Å; L248-Y296 HydrophobicContact CG-CE2 4.03Å; T270-Y296 PolarHBondContact OG1-OH 2.94Å; T270-Y296 VanDerWaalsContact OG1-OH 3.1Å; G272-Y296 WeakPolarHBondContact O-CD1 3.4Å; L273-Y296 HydrophobicContact CB-CD1 4.35Å; L273-Y296 HydrophobicContact CB-CE1 3.89Å; L273-Y296 HydrophobicContact CD1-CE1 4.21Å; L273-Y296 HydrophobicContact CD1-CE2 4.15Å; L294-Y296 HydrophobicContact CB-CD2 4.49Å; L294-Y296 HydrophobicContact CB-CE2 3.62Å; L294-Y296 HydrophobicContact CD1-CE2 4.45Å; L294-Y296 WeakPolarHBondContact CD1-OH 3.43Å; Y296-D298 PolarHBondContact O-N 3.47Å; Y296-A302 HydrophobicContact CD2-CB 3.85Å; Y296-A302 HydrophobicContact CG-CB 4.21Å; Y296-A305 HydrophobicContact CD1-CB 4.35Å; Y296-A305 HydrophobicContact CE1-CB 3.58Å; Y296-A305 HydrophobicContact CE2-CB 3.84Å; Y296-A305 WeakPolarHBondContact OH-CB 3.32Å
297	E	88.6	Confident	91.1	Very high	97 Å²	97	42 Å²	42	45%	0.453	18%	0.184	S	C	.	.	S	Bend	trans	-58.1	-16.6	177.2	46.5	-179.9	158.9	0	0	113.4	G272 V274 R532	G272-E297 PolarHBondContact O-N 3.13Å; V274-E297 HydrophobicContact CG2-CB 3.71Å; V274-E297 HydrophobicContact CG2-CG 4.35Å; E297-R532 VanDerWaalsContact CD-CZ 3.42Å; E297-R532 WeakPolarHBondContact OE1-CD 3.39Å; E297-R532 IonicContact OE1-CZ 2.67Å; E297-R532 IonicContact OE1-NE 3.55Å; E297-R532 PolarHBondContact OE1-NE 3.27Å; E297-R532 VanDerWaalsContact OE1-NE 3.12Å; E297-R532 IonicContact OE1-NH1 2.72Å; E297-R532 PolarHBondContact OE1-NH1 2.89Å; E297-R532 IonicContact OE1-NH2 2.66Å; E297-R532 PolarHBondContact OE1-NH2 2.89Å
298	D	84.3	Confident	91.3	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	18%	0.182	C	C	.	.	S	Bend	trans	-161	169.4	175.6	73.8	84.8	0	0	0	115.3	N246 Y296 K300 S301 A302 R532 G533 A534	N246-D298 VanDerWaalsContact CG-C 3.47Å; N246-D298 WeakPolarHBondContact ND2-CA 3.32Å; Y296-D298 PolarHBondContact O-N 3.47Å; D298-K300 WeakPolarHBondContact OD1-CA 3.09Å; D298-K300 WeakPolarHBondContact OD1-CB 3.47Å; D298-K300 PolarHBondContact OD1-N 2.89Å; D298-S301 PolarHBondContact OD1-N 3.06Å; D298-A302 PolarHBondContact O-N 2.95Å; D298-A302 VanDerWaalsContact O-N 3.08Å; D298-R532 WeakPolarHBondContact OD1-CA 3.4Å; D298-R532 WeakPolarHBondContact OD2-CD 3.42Å; D298-R532 WeakPolarHBondContact OD2-CG 3.46Å; D298-R532 IonicContact OD2-CZ 2.84Å; D298-R532 IonicContact OD2-NE 2.9Å; D298-R532 PolarHBondContact OD2-NE 2.88Å; D298-R532 IonicContact OD2-NH2 3.3Å; D298-G533 VanDerWaalsContact CB-O 3.31Å; D298-G533 WeakPolarHBondContact CB-O 3.42Å; D298-G533 PolarHBondContact OD1-N 2.87Å; D298-G533 PolarHBondContact OD2-N 2.73Å; D298-A534 HydrophobicContact CB-CB 3.66Å
299	H	85.5	Confident	91.4	Very high	72 Å²	72	42.1 Å²	42.1	33%	0.333	18%	0.182	S	C	.	.	H	α-helix	trans	-63.8	-51	-180	169.7	56	0	0	0	114.1	N245 N246 S301 A302 A303 W325	N245-H299 WeakPolarHBondContact CB-ND1 3.36Å; N245-H299 WeakPolarHBondContact O-CA 3.3Å; N245-H299 PolarHBondContact O-ND1 3.18Å; N246-H299 WeakPolarHBondContact OD1-CA 3.32Å; N246-H299 WeakPolarHBondContact OD1-CB 3.32Å; N246-H299 PolarHBondContact OD1-N 2.83Å; H299-S301 PolarHBondContact O-N 3.41Å; H299-S301 VanDerWaalsContact O-N 3.11Å; H299-A302 PolarHBondContact O-N 2.89Å; H299-A303 PolarHBondContact O-N 2.76Å; H299-W325 AromaticContact CE1-CH2 3.39Å; H299-W325 WeakPolarHBondContact CE1-CH2 3.34Å; H299-W325 AromaticContact CE1-CZ2 3.71Å; H299-W325 AromaticContact ND1-CH2 3.57Å; H299-W325 AromaticContact ND1-CZ3 3.88Å
300	K	85.3	Confident	91.4	Very high	112 Å²	112	40.1 Å²	40.1	49%	0.487	18%	0.178	S	C	.	.	H	α-helix	trans	-61.1	-27.3	-173.8	-161.2	176.6	146.2	-104.4	0	109	D298 A303 S530 Q531 R532	D298-K300 WeakPolarHBondContact OD1-CA 3.09Å; D298-K300 WeakPolarHBondContact OD1-CB 3.47Å; D298-K300 PolarHBondContact OD1-N 2.89Å; K300-A303 WeakPolarHBondContact O-CB 3.03Å; K300-S530 CarbonylContact O-C 3.53Å; K300-Q531 WeakPolarHBondContact CD-O 3.32Å; K300-Q531 WeakPolarHBondContact CE-O 3.37Å; K300-Q531 WeakPolarHBondContact CG-O 3.37Å; K300-Q531 PolarHBondContact NZ-O 3.39Å; K300-Q531 CarbonylContact O-C 3.48Å; K300-Q531 WeakPolarHBondContact O-CA 3.46Å; K300-Q531 PolarHBondContact O-N 2.93Å; K300-R532 VanDerWaalsContact CD-O 3.3Å; K300-R532 WeakPolarHBondContact CD-O 3.46Å; K300-R532 PolarHBondContact NZ-O 3.48Å; K300-R532 PolarHBondContact O-N 3.05Å
301	S	90.9	Very high	91.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-90.7	-31.8	174.7	-83	0	0	0	0	117.6	D298 H299 A303 Q304 A305 Q531 R532	D298-S301 PolarHBondContact OD1-N 3.06Å; H299-S301 PolarHBondContact O-N 3.41Å; H299-S301 VanDerWaalsContact O-N 3.11Å; S301-A303 PolarHBondContact O-N 3.22Å; S301-A303 VanDerWaalsContact O-N 3.1Å; S301-Q304 PolarHBondContact O-N 2.99Å; S301-Q304 VanDerWaalsContact O-N 3.13Å; S301-A305 PolarHBondContact O-N 2.88Å; S301-A305 VanDerWaalsContact O-N 3.11Å; S301-Q531 VanDerWaalsContact CA-OE1 3.26Å; S301-Q531 PolarHBondContact OG-OE1 3.11Å; S301-R532 VanDerWaalsContact CB-NE 3.25Å; S301-R532 VanDerWaalsContact N-N 3.18Å; S301-R532 WeakPolarHBondContact OG-CA 3.24Å; S301-R532 WeakPolarHBondContact OG-CB 3.21Å; S301-R532 WeakPolarHBondContact OG-CD 3.48Å; S301-R532 PolarHBondContact OG-N 3.17Å; S301-R532 PolarHBondContact OG-NE 2.77Å; S301-R532 PolarHBondContact OG-NH2 3.41Å
302	A	93.2	Very high	90.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-51.6	-32	161.1	0	0	0	0	0	109.7	N246 L248 Y296 D298 H299 R306 W325	N246-A302 WeakPolarHBondContact O-CB 3.42Å; L248-A302 WeakPolarHBondContact CD1-O 3.3Å; L248-A302 HydrophobicContact CD2-CB 4.14Å; L248-A302 HydrophobicContact CG-CB 4.26Å; Y296-A302 HydrophobicContact CD2-CB 3.85Å; Y296-A302 HydrophobicContact CG-CB 4.21Å; D298-A302 PolarHBondContact O-N 2.95Å; D298-A302 VanDerWaalsContact O-N 3.08Å; H299-A302 PolarHBondContact O-N 2.89Å; A302-R306 VanDerWaalsContact O-CB 3.27Å; A302-R306 WeakPolarHBondContact O-CB 3.49Å; A302-R306 PolarHBondContact O-N 2.86Å; A302-W325 HydrophobicContact CB-CH2 4.15Å; A302-W325 HydrophobicContact CB-CZ3 3.64Å
303	A	91.2	Very high	89.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-72.9	-31.3	178.6	0	0	0	0	0	115.8	H299 K300 S301 R306 R307 W325 Y529 S530	H299-A303 PolarHBondContact O-N 2.76Å; K300-A303 WeakPolarHBondContact O-CB 3.03Å; S301-A303 PolarHBondContact O-N 3.22Å; S301-A303 VanDerWaalsContact O-N 3.1Å; A303-R306 PolarHBondContact O-N 3.3Å; A303-R307 PolarHBondContact O-N 3.17Å; A303-W325 HydrophobicContact CB-CH2 3.56Å; A303-W325 HydrophobicContact CB-CZ2 3.83Å; A303-Y529 HydrophobicContact CB-CD1 3.32Å; A303-Y529 HydrophobicContact CB-CE1 3.3Å; A303-S530 CarbonylContact C-O 3.53Å; A303-S530 WeakPolarHBondContact CB-O 3.4Å
304	Q	91.8	Very high	89.1	Confident	53 Å²	53	49.6 Å²	49.6	25%	0.248	24%	0.236	C	C	.	.	H	α-helix	trans	-82.2	-37.5	175.5	-166.8	171.7	-107.3	0	0	110.8	S301 R306 R307 R308 S530 Q531	S301-Q304 PolarHBondContact O-N 2.99Å; S301-Q304 VanDerWaalsContact O-N 3.13Å; Q304-R306 PolarHBondContact O-N 3.16Å; Q304-R307 WeakPolarHBondContact O-CB 3.45Å; Q304-R307 PolarHBondContact O-N 3.34Å; Q304-R307 VanDerWaalsContact O-N 3.09Å; Q304-R308 VanDerWaalsContact O-CB 3.31Å; Q304-R308 WeakPolarHBondContact O-CB 3.44Å; Q304-R308 PolarHBondContact O-N 3.34Å; Q304-S530 VanDerWaalsContact CA-O 3.29Å; Q304-S530 WeakPolarHBondContact CA-O 3.48Å; Q304-S530 WeakPolarHBondContact CB-O 3.41Å; Q304-S530 PolarHBondContact N-O 3.28Å; Q304-Q531 HydrophobicContact CB-CB 3.76Å; Q304-Q531 HydrophobicContact CB-CG 4.29Å; Q304-Q531 HydrophobicContact CG-CB 4.19Å
305	A	94.2	Very high	88.6	Confident	4 Å²	4	55.8 Å²	55.8	3%	0.033	26%	0.263	C	S	.	.	H	α-helix	trans	-50.1	-48.2	165.7	0	0	0	0	0	109.7	L248 T270 Y296 S301 R307 R308 L309	L248-A305 HydrophobicContact CD1-CB 3.83Å; T270-A305 HydrophobicContact CG2-CB 3.6Å; Y296-A305 HydrophobicContact CD1-CB 4.35Å; Y296-A305 HydrophobicContact CE1-CB 3.58Å; Y296-A305 HydrophobicContact CE2-CB 3.84Å; Y296-A305 WeakPolarHBondContact OH-CB 3.32Å; S301-A305 PolarHBondContact O-N 2.88Å; S301-A305 VanDerWaalsContact O-N 3.11Å; A305-R307 PolarHBondContact O-N 2.89Å; A305-R308 PolarHBondContact O-N 3.33Å; A305-L309 WeakPolarHBondContact O-CB 3.34Å; A305-L309 VanDerWaalsContact O-CG 3.25Å; A305-L309 WeakPolarHBondContact O-CG 3.34Å; A305-L309 PolarHBondContact O-N 3.42Å
306	R	94.1	Very high	88.2	Confident	54 Å²	54	54.1 Å²	54.1	20%	0.204	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-44.7	173.6	-169.1	162.6	-173.8	-104.9	-4.9	113.4	L248 A302 A303 Q304 R308 M310 V323	L248-R306 HydrophobicContact CD1-CB 4.1Å; L248-R306 HydrophobicContact CD2-CB 3.98Å; L248-R306 HydrophobicContact CD2-CG 4.44Å; A302-R306 VanDerWaalsContact O-CB 3.27Å; A302-R306 WeakPolarHBondContact O-CB 3.49Å; A302-R306 PolarHBondContact O-N 2.86Å; A303-R306 PolarHBondContact O-N 3.3Å; Q304-R306 PolarHBondContact O-N 3.16Å; R306-R308 PolarHBondContact O-N 2.97Å; R306-M310 HydrophobicContact CG-CE 3.75Å; R306-M310 HydrophobicContact CG-CG 4.03Å; R306-M310 HydrophobicContact CG-SD 3.67Å; R306-M310 PolarHBondContact NH2-SD 3.28Å; R306-M310 VanDerWaalsContact NH2-SD 3.41Å; R306-M310 WeakPolarHBondContact O-CB 3.35Å; R306-M310 WeakPolarHBondContact O-CG 3.46Å; R306-M310 PolarHBondContact O-N 2.86Å; R306-V323 HydrophobicContact CB-CG1 4.43Å; R306-V323 HydrophobicContact CG-CG1 4.1Å; R306-V323 PolarHBondContact NE-O 2.85Å
307	R	90.5	Very high	87.9	Confident	121 Å²	121	57.2 Å²	57.2	46%	0.457	27%	0.267	S	S	.	.	H	α-helix	trans	-53.6	-55.2	170.9	-177	-162.4	-142.2	132.6	-12.8	111	A303 Q304 A305 L309 M310 S311 G528 Y529	A303-R307 PolarHBondContact O-N 3.17Å; Q304-R307 WeakPolarHBondContact O-CB 3.45Å; Q304-R307 PolarHBondContact O-N 3.34Å; Q304-R307 VanDerWaalsContact O-N 3.09Å; A305-R307 PolarHBondContact O-N 2.89Å; R307-L309 VanDerWaalsContact C-N 3.35Å; R307-L309 PolarHBondContact O-N 3.47Å; R307-M310 PolarHBondContact O-N 2.9Å; R307-S311 WeakPolarHBondContact O-CB 3.14Å; R307-S311 PolarHBondContact O-N 2.86Å; R307-G528 WeakPolarHBondContact CG-O 3.47Å; R307-Y529 VanDerWaalsContact CB-O 3.24Å; R307-Y529 WeakPolarHBondContact CB-O 3.33Å; R307-Y529 WeakPolarHBondContact CD-O 3.3Å; R307-Y529 VanDerWaalsContact CG-O 3.3Å; R307-Y529 WeakPolarHBondContact CG-O 3.47Å; R307-Y529 VanDerWaalsContact CZ-O 3.29Å; R307-Y529 PolarHBondContact NE-O 2.87Å; R307-Y529 PolarHBondContact NH1-O 3.49Å
308	R	91.1	Very high	87.6	Confident	96 Å²	96	54.7 Å²	54.7	36%	0.362	27%	0.266	S	S	.	.	H	α-helix	trans	-66.2	-41.3	-164.4	-172.9	153.4	173	-163.8	-7.9	110.1	V269 E271 Q304 A305 R306 S311 V314	V269-R308 WeakPolarHBondContact O-CD 3.22Å; V269-R308 PolarHBondContact O-NE 2.7Å; V269-R308 PolarHBondContact O-NH1 2.79Å; E271-R308 IonicContact OE1-NH1 2.62Å; Q304-R308 VanDerWaalsContact O-CB 3.31Å; Q304-R308 WeakPolarHBondContact O-CB 3.44Å; Q304-R308 PolarHBondContact O-N 3.34Å; A305-R308 PolarHBondContact O-N 3.33Å; R306-R308 PolarHBondContact O-N 2.97Å; R308-S311 WeakPolarHBondContact O-CB 3.29Å; R308-S311 PolarHBondContact O-OG 3.3Å; R308-V314 HydrophobicContact CG-CG2 3.82Å; R308-V314 VanDerWaalsContact O-CG2 3.31Å; R308-V314 WeakPolarHBondContact O-CG2 3.35Å
309	L	91.5	Very high	87.6	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-74	-46.7	175.4	-58.6	170.6	0	0	0	112.7	F266 V269 T270 L294 A305 R307 S311 V314 V316 V321 V323	F266-L309 HydrophobicContact CD1-CD1 3.88Å; F266-L309 HydrophobicContact CD1-CD2 3.94Å; F266-L309 HydrophobicContact CE1-CD1 3.68Å; F266-L309 HydrophobicContact CE1-CD2 3.66Å; F266-L309 HydrophobicContact CE1-CG 4.31Å; V269-L309 HydrophobicContact CG2-CD2 4.07Å; T270-L309 HydrophobicContact CG2-CD1 4.12Å; T270-L309 HydrophobicContact CG2-CD2 4.39Å; T270-L309 HydrophobicContact CG2-CG 4.16Å; L294-L309 HydrophobicContact CD1-CD1 4.42Å; A305-L309 WeakPolarHBondContact O-CB 3.34Å; A305-L309 VanDerWaalsContact O-CG 3.25Å; A305-L309 WeakPolarHBondContact O-CG 3.34Å; A305-L309 PolarHBondContact O-N 3.42Å; R307-L309 VanDerWaalsContact C-N 3.35Å; R307-L309 PolarHBondContact O-N 3.47Å; L309-S311 PolarHBondContact O-N 3.04Å; L309-V314 HydrophobicContact CD2-CG1 4.08Å; L309-V316 HydrophobicContact CD2-CG2 4.29Å; L309-V321 HydrophobicContact CB-CG2 4.43Å; L309-V321 HydrophobicContact CD2-CG2 4.4Å; L309-V323 HydrophobicContact CB-CB 4.31Å; L309-V323 HydrophobicContact CB-CG2 3.6Å; L309-V323 HydrophobicContact CD1-CG1 4.39Å; L309-V323 HydrophobicContact CD1-CG2 4.01Å; L309-V323 HydrophobicContact CG-CG2 4.43Å
310	M	89.4	Confident	87.6	Confident	78 Å²	78	58.8 Å²	58.8	38%	0.384	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-10.6	175	-67.8	-171.9	-43.7	0	0	114	R306 R307 G312 V323	R306-M310 HydrophobicContact CG-CE 3.75Å; R306-M310 HydrophobicContact CG-CG 4.03Å; R306-M310 HydrophobicContact CG-SD 3.67Å; R306-M310 PolarHBondContact NH2-SD 3.28Å; R306-M310 VanDerWaalsContact NH2-SD 3.41Å; R306-M310 WeakPolarHBondContact O-CB 3.35Å; R306-M310 WeakPolarHBondContact O-CG 3.46Å; R306-M310 PolarHBondContact O-N 2.86Å; R307-M310 PolarHBondContact O-N 2.9Å; M310-G312 PolarHBondContact O-N 2.92Å; M310-V323 HydrophobicContact CG-CB 4.19Å
311	S	85.3	Confident	87.9	Confident	51 Å²	51	53.8 Å²	53.8	36%	0.357	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.1	-175.4	73.4	0	0	0	0	114.3	R307 R308 L309 K313	R307-S311 WeakPolarHBondContact O-CB 3.14Å; R307-S311 PolarHBondContact O-N 2.86Å; R308-S311 WeakPolarHBondContact O-CB 3.29Å; R308-S311 PolarHBondContact O-OG 3.3Å; L309-S311 PolarHBondContact O-N 3.04Å; S311-K313 PolarHBondContact O-N 3Å; S311-K313 PolarHBondContact OG-N 2.74Å
312	G	79.1	Confident	88	Confident	43 Å²	43	57.2 Å²	57.2	44%	0.443	29%	0.293	S	S	.	.	S	Bend	trans	67.6	-10.3	-172.1	0	0	0	0	0	114.8	M310	M310-G312 PolarHBondContact O-N 2.92Å
313	K	79.6	Confident	88	Confident	194 Å²	194	57.6 Å²	57.6	84%	0.843	30%	0.296	S	S	*	.	S	Bend	trans	-77.6	-32.1	172.8	-62.6	-170.1	177.6	-171.3	0	111.8	S311	S311-K313 PolarHBondContact O-N 3Å; S311-K313 PolarHBondContact OG-N 2.74Å
314	V	84.4	Confident	88.1	Confident	25 Å²	25	63.2 Å²	63.2	15%	0.152	32%	0.322	C	S	.	.			trans	-87.6	130.4	174.7	-179.5	0	0	0	0	109.1	V269 R308 L309	V269-V314 HydrophobicContact CB-CG1 4.05Å; V269-V314 HydrophobicContact CG1-CG1 3.97Å; V269-V314 HydrophobicContact CG2-CG1 4.24Å; R308-V314 HydrophobicContact CG-CG2 3.82Å; R308-V314 VanDerWaalsContact O-CG2 3.31Å; R308-V314 WeakPolarHBondContact O-CG2 3.35Å; L309-V314 HydrophobicContact CD2-CG1 4.08Å
315	K	84.6	Confident	88.1	Confident	129 Å²	129	64.7 Å²	64.7	56%	0.561	33%	0.326	S	S	*	.			trans	-121.6	137.8	172.2	-75.9	173	154.8	-129.9	0	108.4	G318 N319 V320	K315-G318 VanDerWaalsContact CD-O 3.32Å; K315-G318 WeakPolarHBondContact CD-O 3.32Å; K315-G318 WeakPolarHBondContact CE-O 3.2Å; K315-G318 PolarHBondContact NZ-O 3.42Å; K315-N319 CarbonylContact C-O 3.57Å; K315-N319 WeakPolarHBondContact CA-O 3.47Å; K315-N319 WeakPolarHBondContact CB-O 3.42Å; K315-V320 HydrophobicContact CG-CG2 4.17Å
316	V	84.1	Confident	87.9	Confident	3 Å²	3	65 Å²	65	2%	0.018	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-110.9	119.4	179.5	-162.2	0	0	0	0	106.9	E265 F266 L309 G318 N319 V321	E265-V316 HydrophobicContact CB-CG1 4.39Å; E265-V316 HydrophobicContact CG-CG1 3.55Å; F266-V316 HydrophobicContact CE1-CG1 4.49Å; F266-V316 HydrophobicContact CE1-CG2 3.86Å; F266-V316 HydrophobicContact CE2-CG1 3.97Å; F266-V316 HydrophobicContact CZ-CB 4.32Å; F266-V316 HydrophobicContact CZ-CG1 3.96Å; F266-V316 HydrophobicContact CZ-CG2 3.87Å; L309-V316 HydrophobicContact CD2-CG2 4.29Å; V316-G318 PolarHBondContact O-N 3.03Å; V316-G318 VanDerWaalsContact O-N 3.17Å; V316-N319 PolarHBondContact N-O 3.43Å; V316-N319 PolarHBondContact O-N 3.21Å; V316-V321 HydrophobicContact CB-CG1 4.06Å; V316-V321 HydrophobicContact CG2-CG1 4.04Å; V316-V321 HydrophobicContact CG2-CG2 3.9Å
317	W	86.1	Confident	87.5	Confident	66 Å²	66	69.3 Å²	69.3	25%	0.25	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	36.3	-166.2	-48.4	-68.1	0	0	0	114.2	I253 P254 K257 I262 E265 F266 N319	I253-W317 HydrophobicContact CB-CZ3 4.32Å; I253-W317 HydrophobicContact CG2-CZ3 4.28Å; P254-W317 VanDerWaalsContact CD-CZ3 3.49Å; P254-W317 HydrophobicContact CG-CB 4.25Å; P254-W317 HydrophobicContact CG-CD2 4.02Å; P254-W317 HydrophobicContact CG-CE3 3.59Å; P254-W317 HydrophobicContact CG-CG 4.33Å; P254-W317 HydrophobicContact CG-CZ3 4.31Å; K257-W317 HydrophobicContact CD-CZ2 3.9Å; K257-W317 HydrophobicContact CG-CD2 4.47Å; K257-W317 HydrophobicContact CG-CH2 4.29Å; K257-W317 HydrophobicContact CG-CZ2 4.1Å; I262-W317 HydrophobicContact CB-CH2 4.4Å; I262-W317 HydrophobicContact CG1-CH2 3.89Å; E265-W317 HydrophobicContact CB-CH2 4.21Å; E265-W317 HydrophobicContact CB-CZ2 3.48Å; E265-W317 VanDerWaalsContact CB-CZ2 3.48Å; E265-W317 HydrophobicContact CG-CD2 4.38Å; E265-W317 HydrophobicContact CG-CH2 4.46Å; E265-W317 HydrophobicContact CG-CZ2 3.76Å; F266-W317 HydrophobicContact CE2-CH2 4.23Å; F266-W317 HydrophobicContact CE2-CZ3 4.32Å; W317-N319 PolarHBondContact O-N 3Å
318	G	83.4	Confident	86.8	Confident	43 Å²	43	66.8 Å²	66.8	44%	0.443	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	-14.7	-178.9	0	0	0	0	0	115.8	K315 V316	K315-G318 VanDerWaalsContact CD-O 3.32Å; K315-G318 WeakPolarHBondContact CD-O 3.32Å; K315-G318 WeakPolarHBondContact CE-O 3.2Å; K315-G318 PolarHBondContact NZ-O 3.42Å; V316-G318 PolarHBondContact O-N 3.03Å; V316-G318 VanDerWaalsContact O-N 3.17Å
319	N	84.1	Confident	86.1	Confident	81 Å²	81	65.7 Å²	65.7	43%	0.433	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-86.7	152.7	178	-69.9	-14	0	0	0	111.9	K315 V316 W317	K315-N319 CarbonylContact C-O 3.57Å; K315-N319 WeakPolarHBondContact CA-O 3.47Å; K315-N319 WeakPolarHBondContact CB-O 3.42Å; V316-N319 PolarHBondContact N-O 3.43Å; V316-N319 PolarHBondContact O-N 3.21Å; W317-N319 PolarHBondContact O-N 3Å
320	V	86.5	Confident	85	Confident	81 Å²	81	70.5 Å²	70.5	49%	0.491	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-88.9	121.2	164.9	-179.8	0	0	0	0	107.2	K315	K315-V320 HydrophobicContact CG-CG2 4.17Å
321	V	91.5	Very high	84	Confident	7 Å²	7	72.3 Å²	72.3	4%	0.042	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-85.8	144	177.8	-69.2	0	0	0	0	110.9	V250 G251 I253 F266 L309 V316 V323	V250-V321 HydrophobicContact CG1-CB 3.93Å; V250-V321 HydrophobicContact CG1-CG1 4.3Å; V250-V321 HydrophobicContact CG1-CG2 4.21Å; G251-V321 WeakPolarHBondContact O-CA 3.45Å; G251-V321 WeakPolarHBondContact O-CB 3.43Å; I253-V321 HydrophobicContact CG2-CG1 4.26Å; F266-V321 HydrophobicContact CE1-CG2 4.35Å; F266-V321 HydrophobicContact CZ-CG1 4.31Å; F266-V321 HydrophobicContact CZ-CG2 4.36Å; L309-V321 HydrophobicContact CB-CG2 4.43Å; L309-V321 HydrophobicContact CD2-CG2 4.4Å; V316-V321 HydrophobicContact CB-CG1 4.06Å; V316-V321 HydrophobicContact CG2-CG1 4.04Å; V316-V321 HydrophobicContact CG2-CG2 3.9Å; V321-V323 HydrophobicContact CB-CG2 4.45Å; V321-V323 HydrophobicContact CG2-CG2 3.84Å
322	T	91.9	Very high	83.3	Confident	71 Å²	71	71.9 Å²	71.9	44%	0.436	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.3	171	50.3	0	0	0	0	108.8	V250 G251	V250-T322 CarbonylContact C-O 3.51Å; V250-T322 VanDerWaalsContact CA-O 3.31Å; V250-T322 WeakPolarHBondContact CA-O 3.19Å; G251-T322 VanDerWaalsContact CA-OG1 3.25Å; G251-T322 WeakPolarHBondContact CA-OG1 3.37Å; G251-T322 PolarHBondContact N-O 3.32Å; G251-T322 PolarHBondContact N-OG1 3.05Å; G251-T322 PolarHBondContact O-N 2.91Å; G251-T322 VanDerWaalsContact O-N 3.14Å
323	V	93.2	Very high	83.1	Confident	9 Å²	9	74.5 Å²	74.5	6%	0.055	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	115.5	-174.6	-175.3	0	0	0	0	112.6	L248 F249 V250 R306 L309 M310 V321	L248-V323 HydrophobicContact CB-CG1 4.33Å; L248-V323 HydrophobicContact CD1-CG1 3.88Å; F249-V323 WeakPolarHBondContact O-CA 3.14Å; V250-V323 HydrophobicContact CG1-CG2 4.23Å; V250-V323 HydrophobicContact CG2-CG1 4.26Å; V250-V323 HydrophobicContact CG2-CG2 4.09Å; R306-V323 HydrophobicContact CB-CG1 4.43Å; R306-V323 HydrophobicContact CG-CG1 4.1Å; R306-V323 PolarHBondContact NE-O 2.85Å; L309-V323 HydrophobicContact CB-CB 4.31Å; L309-V323 HydrophobicContact CB-CG2 3.6Å; L309-V323 HydrophobicContact CD1-CG1 4.39Å; L309-V323 HydrophobicContact CD1-CG2 4.01Å; L309-V323 HydrophobicContact CG-CG2 4.43Å; M310-V323 HydrophobicContact CG-CB 4.19Å; V321-V323 HydrophobicContact CB-CG2 4.45Å; V321-V323 HydrophobicContact CG2-CG2 3.84Å
324	E	93.3	Very high	82.9	Confident	118 Å²	118	69.5 Å²	69.5	55%	0.551	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	167.9	-178.5	-56.8	-157.5	137.6	0	0	110.7	L248 F249	L248-E324 WeakPolarHBondContact CA-O 3.29Å; F249-E324 HydrophobicContact CB-CB 4.43Å; F249-E324 HydrophobicContact CD1-CB 4.35Å; F249-E324 PolarHBondContact N-O 2.95Å; F249-E324 PolarHBondContact O-N 2.77Å
325	W	92.6	Very high	82.7	Confident	84 Å²	84	75.3 Å²	75.3	32%	0.318	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	137	165.8	-71.2	119.3	0	0	0	108.2	N245 L248 H299 A302 A303	N245-W325 WeakPolarHBondContact O-CZ3 3.24Å; L248-W325 HydrophobicContact CD2-CD2 4.28Å; L248-W325 HydrophobicContact CD2-CE3 3.55Å; L248-W325 HydrophobicContact CD2-CH2 4.42Å; L248-W325 HydrophobicContact CD2-CZ3 3.63Å; H299-W325 AromaticContact CE1-CH2 3.39Å; H299-W325 WeakPolarHBondContact CE1-CH2 3.34Å; H299-W325 AromaticContact CE1-CZ2 3.71Å; H299-W325 AromaticContact ND1-CH2 3.57Å; H299-W325 AromaticContact ND1-CZ3 3.88Å; A302-W325 HydrophobicContact CB-CH2 4.15Å; A302-W325 HydrophobicContact CB-CZ3 3.64Å; A303-W325 HydrophobicContact CB-CH2 3.56Å; A303-W325 HydrophobicContact CB-CZ2 3.83Å
326	A	90.5	Very high	82.5	Confident	9 Å²	9	72.2 Å²	72.2	7%	0.074	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-65.6	148.7	168.7	0	0	0	0	0	109.4	R247 F293	R247-A326 HydrophobicContact CB-CB 3.66Å; R247-A326 WeakPolarHBondContact O-CB 3.45Å; R247-A326 PolarHBondContact O-N 3.14Å; F293-A326 HydrophobicContact CD1-CB 3.71Å; F293-A326 HydrophobicContact CE1-CB 3.97Å
327	D	84.6	Confident	82.4	Confident	145 Å²	145	73.9 Å²	73.9	78%	0.775	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-56.3	132.5	167.3	-85.4	-40.7	0	0	0	109.4	V329	D327-V329 PolarHBondContact O-N 3.21Å
328	P	76.6	Confident	82.2	Confident	69 Å²	69	72.9 Å²	72.9	45%	0.448	41%	0.407	S	S	.	.			trans	-61.7	113.9	-179.7	-21.2	31.7	0	0	0	110.7	V243 E330	V243-P328 HydrophobicContact CB-CB 4.18Å; V243-P328 HydrophobicContact CG1-CB 3.63Å; P328-E330 PolarHBondContact O-N 3.34Å; P328-E330 VanDerWaalsContact O-N 3.1Å
329	V	74.7	Confident	82.3	Confident	73 Å²	73	78.2 Å²	78.2	44%	0.442	42%	0.417	S	S	.	.			trans	-80.2	94.1	179.6	179	0	0	0	0	108.4	D327 E331 K410	D327-V329 PolarHBondContact O-N 3.21Å; V329-E331 PolarHBondContact O-N 3.03Å; V329-K410 VanDerWaalsContact CG1-NZ 3.34Å
330	E	69.2	Low	82.4	Confident	101 Å²	101	75 Å²	75	47%	0.472	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-54.6	121.6	176.7	-64.6	-175.1	-151.8	0	0	110.1	P328 K410	P328-E330 PolarHBondContact O-N 3.34Å; P328-E330 VanDerWaalsContact O-N 3.1Å; E330-K410 PolarHBondContact O-NZ 3.42Å
331	E	69.6	Low	82.6	Confident	116 Å²	116	75.4 Å²	75.4	54%	0.542	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-79.5	118.6	173.5	-72.9	-176.4	178.4	0	0	108.6	V329	V329-E331 PolarHBondContact O-N 3.03Å
332	P	70.3	Confident	82.6	Confident	43 Å²	43	76.5 Å²	76.5	28%	0.279	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-66.9	141.2	179.8	28.1	-35.2	0	0	0	110.8	M337 K410	P332-M337 HydrophobicContact CB-CG 3.9Å; P332-M337 HydrophobicContact CB-SD 3.79Å; P332-M337 HydrophobicContact CG-CE 4.45Å; P332-M337 HydrophobicContact CG-CG 3.61Å; P332-M337 HydrophobicContact CG-SD 3.37Å; P332-M337 WeakPolarHBondContact CG-SD 3.25Å; P332-K410 HydrophobicContact CG-CD 4.36Å; P332-K410 HydrophobicContact CG-CG 4.25Å
333	D	73.2	Confident	82.7	Confident	98 Å²	98	73.1 Å²	73.1	52%	0.524	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-52.4	133.2	-180	-80.9	-55.1	0	0	0	111.8	E335 V336 M337	D333-E335 PolarHBondContact O-N 2.72Å; D333-E335 VanDerWaalsContact O-N 3.14Å; D333-V336 HydrophobicContact CB-CB 4.36Å; D333-V336 HydrophobicContact CB-CG2 3.89Å; D333-V336 WeakPolarHBondContact O-CA 3.47Å; D333-V336 PolarHBondContact O-N 2.67Å; D333-M337 PolarHBondContact O-N 3.18Å
334	P	76.7	Confident	82.7	Confident	88 Å²	88	74.5 Å²	74.5	57%	0.571	39%	0.387	S	S	*	.	H	α-helix	trans	-55	-34.1	179	-28.7	35.8	0	0	0	113.5	V336 M337 A338	P334-V336 VanDerWaalsContact C-N 3.3Å; P334-V336 PolarHBondContact O-N 2.57Å; P334-M337 PolarHBondContact O-N 3.07Å; P334-A338 VanDerWaalsContact O-CB 3.24Å; P334-A338 WeakPolarHBondContact O-CB 2.84Å; P334-A338 PolarHBondContact O-N 2.94Å
335	E	79.2	Confident	82.6	Confident	148 Å²	148	68.9 Å²	68.9	69%	0.692	36%	0.361	S	S	*	.	H	α-helix	trans	-67.8	-26	175.6	-66.5	-175.7	-151.3	0	0	114	D333 K339	D333-E335 PolarHBondContact O-N 2.72Å; D333-E335 VanDerWaalsContact O-N 3.14Å; E335-K339 WeakPolarHBondContact O-CD 2.95Å; E335-K339 WeakPolarHBondContact O-CE 3.36Å; E335-K339 WeakPolarHBondContact O-CG 3.28Å
336	V	81.5	Confident	82.4	Confident	64 Å²	64	68.7 Å²	68.7	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-85.1	-42.4	175.9	-174	0	0	0	0	109.4	D333 P334 A338 K339 V340 P411	D333-V336 HydrophobicContact CB-CB 4.36Å; D333-V336 HydrophobicContact CB-CG2 3.89Å; D333-V336 WeakPolarHBondContact O-CA 3.47Å; D333-V336 PolarHBondContact O-N 2.67Å; P334-V336 VanDerWaalsContact C-N 3.3Å; P334-V336 PolarHBondContact O-N 2.57Å; V336-A338 VanDerWaalsContact C-N 3.26Å; V336-A338 PolarHBondContact O-N 2.98Å; V336-K339 WeakPolarHBondContact O-CA 3.44Å; V336-K339 WeakPolarHBondContact O-CB 3.37Å; V336-K339 PolarHBondContact O-N 3.48Å; V336-V340 PolarHBondContact O-N 2.98Å; V336-P411 HydrophobicContact CG1-CB 4.29Å; V336-P411 HydrophobicContact CG1-CG 3.62Å
337	M	81.5	Confident	82.2	Confident	38 Å²	38	71.5 Å²	71.5	19%	0.187	37%	0.374	C	S	.	.	H	α-helix	trans	-59.9	-35.5	171.7	-67.3	-57.4	-68.5	0	0	112.4	P332 D333 P334 K339 V340 L408 P411	P332-M337 HydrophobicContact CB-CG 3.9Å; P332-M337 HydrophobicContact CB-SD 3.79Å; P332-M337 HydrophobicContact CG-CE 4.45Å; P332-M337 HydrophobicContact CG-CG 3.61Å; P332-M337 HydrophobicContact CG-SD 3.37Å; P332-M337 WeakPolarHBondContact CG-SD 3.25Å; D333-M337 PolarHBondContact O-N 3.18Å; P334-M337 PolarHBondContact O-N 3.07Å; M337-K339 PolarHBondContact O-N 3.03Å; M337-K339 VanDerWaalsContact O-N 3.11Å; M337-V340 WeakPolarHBondContact O-CB 3.1Å; M337-V340 PolarHBondContact O-N 3.25Å; M337-V340 VanDerWaalsContact O-N 3.12Å; M337-V340 HydrophobicContact SD-CG2 4.11Å; M337-L408 HydrophobicContact CE-CB 3.58Å; M337-L408 HydrophobicContact CE-CD1 4.46Å; M337-P411 HydrophobicContact SD-CG 4.4Å
338	A	82.2	Confident	82.3	Confident	45 Å²	45	64.8 Å²	64.8	37%	0.372	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.2	173	0	0	0	0	0	114.4	P334 V336 R384	P334-A338 VanDerWaalsContact O-CB 3.24Å; P334-A338 WeakPolarHBondContact O-CB 2.84Å; P334-A338 PolarHBondContact O-N 2.94Å; V336-A338 VanDerWaalsContact C-N 3.26Å; V336-A338 PolarHBondContact O-N 2.98Å; A338-R384 WeakPolarHBondContact O-CD 3.37Å; A338-R384 PolarHBondContact O-NE 3.27Å; A338-R384 VanDerWaalsContact O-NE 3.13Å
339	K	84.8	Confident	82.6	Confident	154 Å²	154	61.9 Å²	61.9	67%	0.67	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-4.1	176.4	-63.5	167.1	-168.5	167.3	0	112.9	E335 V336 M337	E335-K339 WeakPolarHBondContact O-CD 2.95Å; E335-K339 WeakPolarHBondContact O-CE 3.36Å; E335-K339 WeakPolarHBondContact O-CG 3.28Å; V336-K339 WeakPolarHBondContact O-CA 3.44Å; V336-K339 WeakPolarHBondContact O-CB 3.37Å; V336-K339 PolarHBondContact O-N 3.48Å; M337-K339 PolarHBondContact O-N 3.03Å; M337-K339 VanDerWaalsContact O-N 3.11Å
340	V	86.6	Confident	83	Confident	14 Å²	14	64.1 Å²	64.1	9%	0.085	33%	0.334	C	S	.	.			trans	-69.9	129.7	177.6	171	0	0	0	0	110.2	V336 M337 V342 L408 A409 P411	V336-V340 PolarHBondContact O-N 2.98Å; M337-V340 WeakPolarHBondContact O-CB 3.1Å; M337-V340 PolarHBondContact O-N 3.25Å; M337-V340 VanDerWaalsContact O-N 3.12Å; M337-V340 HydrophobicContact SD-CG2 4.11Å; V340-V342 HydrophobicContact CG1-CB 4.34Å; V340-V342 WeakPolarHBondContact CG1-O 3.44Å; V340-L408 HydrophobicContact CG1-CB 4.32Å; V340-L408 HydrophobicContact CG1-CD2 4.21Å; V340-A409 WeakPolarHBondContact CG1-O 3.47Å; V340-P411 HydrophobicContact CG2-CG 3.88Å
341	K	90.8	Very high	83.8	Confident	89 Å²	89	63.8 Å²	63.8	39%	0.387	34%	0.339	S	S	.	.			trans	-113.8	9.1	170.3	-52.4	-178.3	176.6	-179.4	0	112.7	F381 E382 R384	K341-F381 VanDerWaalsContact CB-O 3.28Å; K341-F381 WeakPolarHBondContact CB-O 3.45Å; K341-F381 PolarHBondContact O-N 2.76Å; K341-E382 WeakPolarHBondContact CD-O 3.25Å; K341-E382 WeakPolarHBondContact CE-O 3.08Å; K341-E382 PolarHBondContact NZ-O 3.36Å; K341-R384 HydrophobicContact CG-CB 4.16Å
342	V	92.4	Very high	84.7	Confident	30 Å²	30	58.4 Å²	58.4	18%	0.182	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128	-174.9	-172.9	0	0	0	0	108.6	V340 F378 V379 H380 A409	V340-V342 HydrophobicContact CG1-CB 4.34Å; V340-V342 WeakPolarHBondContact CG1-O 3.44Å; V342-F378 HydrophobicContact CG1-CB 4.2Å; V342-F378 HydrophobicContact CG1-CD1 4.41Å; V342-V379 CarbonylContact C-O 3.59Å; V342-V379 WeakPolarHBondContact CA-O 3.29Å; V342-H380 HydrophobicContact CG2-CB 4.33Å; V342-A409 HydrophobicContact CB-CB 3.98Å; V342-A409 HydrophobicContact CG1-CB 3.83Å; V342-A409 VanDerWaalsContact O-CB 3.26Å; V342-A409 WeakPolarHBondContact O-CB 3.48Å; V342-A409 PolarHBondContact O-N 2.9Å
343	L	93.1	Very high	85.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	146.7	172.2	-55.5	-175.4	0	0	0	110.3	F361 F378 V379 F381 A387 A390 M391 I406 L408	L343-F361 HydrophobicContact CD1-CD1 4.41Å; L343-F361 HydrophobicContact CD1-CE1 4.11Å; L343-F378 CarbonylContact O-C 3.33Å; L343-F378 VanDerWaalsContact O-CA 3.3Å; L343-F378 WeakPolarHBondContact O-CA 3.12Å; L343-V379 HydrophobicContact CB-CB 4.37Å; L343-V379 PolarHBondContact N-O 2.85Å; L343-V379 PolarHBondContact O-N 3.25Å; L343-F381 HydrophobicContact CD1-CD2 4.38Å; L343-F381 HydrophobicContact CD1-CE2 3.72Å; L343-F381 HydrophobicContact CG-CD2 4.35Å; L343-F381 HydrophobicContact CG-CE2 4.13Å; L343-A387 WeakPolarHBondContact CD1-O 3.07Å; L343-A387 HydrophobicContact CD2-CB 4.07Å; L343-A387 WeakPolarHBondContact CD2-O 3.25Å; L343-A387 HydrophobicContact CG-CB 4.34Å; L343-A390 HydrophobicContact CD1-CB 3.89Å; L343-M391 HydrophobicContact CD1-CB 4.25Å; L343-M391 HydrophobicContact CD2-CB 4.04Å; L343-I406 HydrophobicContact CB-CG2 3.94Å; L343-I406 HydrophobicContact CD1-CG2 3.91Å; L343-I406 HydrophobicContact CD2-CG2 4.45Å; L343-I406 HydrophobicContact CG-CG2 4.32Å; L343-L408 HydrophobicContact CD2-CD2 3.94Å
344	F	92.6	Very high	86.5	Confident	39 Å²	39	58.7 Å²	58.7	17%	0.171	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	108.2	171.5	174.3	-133.2	0	0	0	107.4	R346 Y376 A377 F378 V407 A409	F344-R346 HydrophobicContact CD1-CG 4.47Å; F344-R346 HydrophobicContact CE1-CG 3.97Å; F344-R346 HydrophobicContact CE2-CG 4.32Å; F344-R346 HydrophobicContact CZ-CG 3.88Å; F344-Y376 HydrophobicContact CD2-CD2 4.4Å; F344-Y376 AromaticContact CE2-CD2 3.61Å; F344-Y376 HydrophobicContact CE2-CD2 3.61Å; F344-Y376 HydrophobicContact CE2-CE2 4.35Å; F344-Y376 AromaticContact CE2-CG 3.9Å; F344-Y376 HydrophobicContact CE2-CG 3.9Å; F344-A377 WeakPolarHBondContact CA-O 3.3Å; F344-F378 HydrophobicContact CB-CD1 4.23Å; F344-F378 HydrophobicContact CB-CE1 4.06Å; F344-F378 AromaticContact CD2-CD1 3.99Å; F344-F378 HydrophobicContact CD2-CD1 3.99Å; F344-F378 AromaticContact CD2-CE1 3.42Å; F344-F378 HydrophobicContact CD2-CE1 3.42Å; F344-F378 VanDerWaalsContact CD2-CE1 3.42Å; F344-F378 AromaticContact CD2-CZ 3.74Å; F344-F378 HydrophobicContact CD2-CZ 3.74Å; F344-F378 HydrophobicContact CE2-CE1 4.09Å; F344-F378 AromaticContact CE2-CZ 3.93Å; F344-F378 HydrophobicContact CE2-CZ 3.93Å; F344-F378 AromaticContact CG-CE1 3.97Å; F344-F378 HydrophobicContact CG-CE1 3.97Å; F344-V407 HydrophobicContact CB-CG2 4.17Å; F344-V407 HydrophobicContact CD1-CG2 3.78Å; F344-V407 HydrophobicContact CG-CG2 4.45Å; F344-V407 PolarHBondContact N-O 3.35Å; F344-V407 PolarHBondContact O-N 3.47Å; F344-V407 VanDerWaalsContact O-N 3.1Å; F344-A409 HydrophobicContact CB-CB 3.81Å
345	V	92	Very high	87.2	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132	-176.9	-173.3	0	0	0	0	108.3	L348 F361 Y376 A377 V379 I404 E405 I406	V345-L348 HydrophobicContact CB-CD1 4.46Å; V345-L348 HydrophobicContact CG1-CD1 4.21Å; V345-L348 HydrophobicContact CG1-CD2 3.76Å; V345-L348 HydrophobicContact CG1-CG 4.02Å; V345-F361 HydrophobicContact CG1-CZ 4.47Å; V345-F361 HydrophobicContact CG2-CE1 4.38Å; V345-F361 HydrophobicContact CG2-CE2 4Å; V345-F361 HydrophobicContact CG2-CZ 3.62Å; V345-Y376 CarbonylContact O-C 3.54Å; V345-Y376 WeakPolarHBondContact O-CA 3.09Å; V345-Y376 VanDerWaalsContact O-CB 3.22Å; V345-Y376 WeakPolarHBondContact O-CB 3.39Å; V345-A377 HydrophobicContact CB-CB 4.5Å; V345-A377 PolarHBondContact N-O 3.43Å; V345-A377 PolarHBondContact O-N 2.92Å; V345-V379 HydrophobicContact CG2-CG2 4.02Å; V345-I404 HydrophobicContact CG1-CB 3.99Å; V345-I404 HydrophobicContact CG1-CD1 3.99Å; V345-I404 HydrophobicContact CG1-CG1 4.42Å; V345-I404 HydrophobicContact CG1-CG2 4.47Å; V345-E405 CarbonylContact C-O 3.6Å; V345-E405 WeakPolarHBondContact CA-O 3.34Å; V345-I406 HydrophobicContact CG1-CG1 4.31Å; V345-I406 HydrophobicContact CG2-CG1 4.36Å; V345-I406 HydrophobicContact CG2-CG2 4.33Å
346	R	87.8	Confident	87.8	Confident	79 Å²	79	57.4 Å²	57.4	30%	0.298	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	168.4	-176.6	-85.4	178.5	162.2	-172.1	-3	111.3	F344 L348 I404 E405	F344-R346 HydrophobicContact CD1-CG 4.47Å; F344-R346 HydrophobicContact CE1-CG 3.97Å; F344-R346 HydrophobicContact CE2-CG 4.32Å; F344-R346 HydrophobicContact CZ-CG 3.88Å; R346-L348 VanDerWaalsContact C-N 3.28Å; R346-L348 PolarHBondContact O-N 3.09Å; R346-I404 WeakPolarHBondContact O-CA 3.2Å; R346-E405 HydrophobicContact CB-CB 4.04Å; R346-E405 WeakPolarHBondContact CD-OE2 3.45Å; R346-E405 PolarHBondContact N-O 3.34Å; R346-E405 IonicContact NH1-OE2 2.79Å; R346-E405 PolarHBondContact NH1-OE2 3.17Å; R346-E405 PolarHBondContact O-N 3.41Å; R346-E405 VanDerWaalsContact O-N 3.1Å
347	N	86.5	Confident	88.3	Confident	69 Å²	69	54.3 Å²	54.3	37%	0.369	28%	0.281	S	S	.	.	S	Bend	trans	61.8	33.8	-179.1	-161.2	41	0	0	0	113	K285 D375 E403	K285-N347 PolarHBondContact NZ-OD1 2.98Å; N347-D375 PolarHBondContact N-O 2.78Å; N347-E403 PolarHBondContact ND2-O 2.83Å
348	L	86.2	Confident	88.8	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.016	30%	0.296	C	S	.	.			trans	-79	140	178.1	-67.7	176.4	0	0	0	112	V345 R346 V352 L357 K372 D375 A377 E402 I404	V345-L348 HydrophobicContact CB-CD1 4.46Å; V345-L348 HydrophobicContact CG1-CD1 4.21Å; V345-L348 HydrophobicContact CG1-CD2 3.76Å; V345-L348 HydrophobicContact CG1-CG 4.02Å; R346-L348 VanDerWaalsContact C-N 3.28Å; R346-L348 PolarHBondContact O-N 3.09Å; L348-V352 HydrophobicContact CD2-CG1 4.48Å; L348-L357 HydrophobicContact CD1-CD1 3.97Å; L348-L357 HydrophobicContact CD1-CD2 4.15Å; L348-L357 HydrophobicContact CD2-CD2 3.9Å; L348-K372 HydrophobicContact CD1-CG 4.46Å; L348-D375 PolarHBondContact N-O 3.27Å; L348-A377 HydrophobicContact CD1-CB 3.54Å; L348-E402 VanDerWaalsContact C-OE2 3.27Å; L348-I404 HydrophobicContact CD2-CG2 3.67Å
349	A	83.5	Confident	89.2	Confident	8 Å²	8	63.6 Å²	63.6	7%	0.066	31%	0.314	C	S	.	.			trans	-66.6	148.1	175	0	0	0	0	0	111	T351 V352 K372 E400 E402	A349-T351 WeakPolarHBondContact CB-OG1 3.48Å; A349-T351 PolarHBondContact O-N 3.49Å; A349-V352 HydrophobicContact CB-CG2 4.11Å; A349-V352 PolarHBondContact O-N 3.44Å; A349-V352 VanDerWaalsContact O-N 3.14Å; A349-K372 PolarHBondContact O-NZ 3.34Å; A349-E400 HydrophobicContact CB-CB 4.24Å; A349-E402 WeakPolarHBondContact CA-OE2 3.29Å; A349-E402 HydrophobicContact CB-CG 4.11Å; A349-E402 VanDerWaalsContact CB-OE2 3.28Å; A349-E402 WeakPolarHBondContact CB-OE2 3.32Å; A349-E402 PolarHBondContact N-OE2 3.5Å
350	T	83.1	Confident	89.5	Confident	121 Å²	121	57.4 Å²	57.4	74%	0.742	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.4	176.5	-50.7	0	0	0	0	111.5	K372	T350-K372 PolarHBondContact O-NZ 2.89Å; T350-K372 VanDerWaalsContact O-NZ 3.15Å
351	T	86.3	Confident	89.8	Confident	94 Å²	94	56.8 Å²	56.8	58%	0.577	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-28.9	178.2	46.5	0	0	0	0	115.2	A349 T353	A349-T351 WeakPolarHBondContact CB-OG1 3.48Å; A349-T351 PolarHBondContact O-N 3.49Å; T351-T353 PolarHBondContact O-N 2.73Å
352	V	88.3	Confident	89.7	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.018	29%	0.287	C	S	.	.			trans	-62.4	124	-177.7	170	0	0	0	0	110.3	L348 A349 I356 L357 K372 I399 E400	L348-V352 HydrophobicContact CD2-CG1 4.48Å; A349-V352 HydrophobicContact CB-CG2 4.11Å; A349-V352 PolarHBondContact O-N 3.44Å; A349-V352 VanDerWaalsContact O-N 3.14Å; V352-I356 HydrophobicContact CG1-CB 4.34Å; V352-I356 HydrophobicContact CG1-CG2 4.2Å; V352-L357 HydrophobicContact CG1-CD1 4.06Å; V352-L357 HydrophobicContact CG1-CD2 3.93Å; V352-L357 HydrophobicContact CG1-CG 3.64Å; V352-K372 WeakPolarHBondContact O-CD 3.31Å; V352-K372 VanDerWaalsContact O-CE 3.24Å; V352-K372 WeakPolarHBondContact O-CE 3.3Å; V352-K372 PolarHBondContact O-NZ 2.86Å; V352-I399 HydrophobicContact CG2-CG2 3.75Å; V352-E400 HydrophobicContact CG2-CB 3.89Å; V352-E400 HydrophobicContact CG2-CG 3.61Å
353	T	90.3	Very high	89.7	Confident	57 Å²	57	61.4 Å²	61.4	35%	0.35	31%	0.313	S	S	.	.			trans	-90.2	167.7	175.5	62.2	0	0	0	0	111.6	T351 E355 I356 L357	T351-T353 PolarHBondContact O-N 2.73Å; T353-E355 PolarHBondContact O-N 2.74Å; T353-I356 PolarHBondContact O-N 3.49Å; T353-I356 WeakPolarHBondContact OG1-CG1 3.43Å; T353-I356 PolarHBondContact OG1-N 2.76Å; T353-L357 PolarHBondContact O-N 3.42Å
354	E	91.6	Very high	89.6	Confident	89 Å²	89	62.3 Å²	62.3	42%	0.416	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-32.7	170.8	-66.3	-176.5	156.1	0	0	111.4	L357 E358 V370 K371 K372	E354-L357 PolarHBondContact O-N 3.16Å; E354-E358 WeakPolarHBondContact O-CB 3Å; E354-E358 PolarHBondContact O-N 3.41Å; E354-V370 HydrophobicContact CB-CG1 4.18Å; E354-V370 HydrophobicContact CG-CG1 4.38Å; E354-K371 VanDerWaalsContact OE1-CA 3.28Å; E354-K371 WeakPolarHBondContact OE1-CA 3.23Å; E354-K372 HydrophobicContact CG-CB 3.69Å; E354-K372 PolarHBondContact OE1-N 2.86Å
355	E	91.3	Very high	89.5	Confident	152 Å²	152	61.5 Å²	61.5	71%	0.71	32%	0.32	S	S	*	.	H	α-helix	trans	-65.3	-41.1	176.3	-55	171.5	164	0	0	112.9	T353 L357 E358 K359	T353-E355 PolarHBondContact O-N 2.74Å; E355-L357 VanDerWaalsContact C-N 3.31Å; E355-L357 PolarHBondContact O-N 3.22Å; E355-E358 PolarHBondContact O-N 3.08Å; E355-K359 VanDerWaalsContact O-CB 3.31Å; E355-K359 WeakPolarHBondContact O-CB 3.33Å; E355-K359 PolarHBondContact O-N 3.01Å
356	I	91	Very high	89.5	Confident	57 Å²	57	68 Å²	68	29%	0.292	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-41	176.4	-70.7	169.5	0	0	0	110.1	V352 T353 S360 I399	V352-I356 HydrophobicContact CG1-CB 4.34Å; V352-I356 HydrophobicContact CG1-CG2 4.2Å; T353-I356 PolarHBondContact O-N 3.49Å; T353-I356 WeakPolarHBondContact OG1-CG1 3.43Å; T353-I356 PolarHBondContact OG1-N 2.76Å; I356-S360 WeakPolarHBondContact O-CB 3.2Å; I356-S360 PolarHBondContact O-N 3.05Å; I356-S360 PolarHBondContact O-OG 3.16Å; I356-I399 HydrophobicContact CG2-CG2 4.08Å
357	L	91.7	Very high	89.6	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-67.9	-44.4	175	-67.2	166.9	0	0	0	111.7	L348 V352 T353 E354 E355 K359 S360 F361 V370 K372 A377	L348-L357 HydrophobicContact CD1-CD1 3.97Å; L348-L357 HydrophobicContact CD1-CD2 4.15Å; L348-L357 HydrophobicContact CD2-CD2 3.9Å; V352-L357 HydrophobicContact CG1-CD1 4.06Å; V352-L357 HydrophobicContact CG1-CD2 3.93Å; V352-L357 HydrophobicContact CG1-CG 3.64Å; T353-L357 PolarHBondContact O-N 3.42Å; E354-L357 PolarHBondContact O-N 3.16Å; E355-L357 VanDerWaalsContact C-N 3.31Å; E355-L357 PolarHBondContact O-N 3.22Å; L357-K359 VanDerWaalsContact C-N 3.3Å; L357-K359 PolarHBondContact O-N 2.71Å; L357-S360 PolarHBondContact O-N 3.19Å; L357-S360 PolarHBondContact O-OG 2.87Å; L357-F361 HydrophobicContact CB-CD2 4.44Å; L357-F361 HydrophobicContact CD2-CD2 4.32Å; L357-F361 HydrophobicContact CD2-CE2 3.94Å; L357-F361 WeakPolarHBondContact O-CB 3.31Å; L357-F361 VanDerWaalsContact O-CD2 3.31Å; L357-F361 WeakPolarHBondContact O-CD2 3.5Å; L357-F361 PolarHBondContact O-N 3.34Å; L357-V370 HydrophobicContact CB-CG1 3.83Å; L357-V370 HydrophobicContact CD1-CG1 4.09Å; L357-K372 HydrophobicContact CD1-CB 4.35Å; L357-K372 HydrophobicContact CD1-CG 4.44Å; L357-A377 HydrophobicContact CD1-CB 3.64Å
358	E	92	Very high	89.8	Confident	104 Å²	104	69 Å²	69	49%	0.486	36%	0.355	S	S	.	.	H	α-helix	trans	-60.7	-44	178	-166.1	175.9	172.2	0	0	110.4	E354 E355 S362 L367 V370	E354-E358 WeakPolarHBondContact O-CB 3Å; E354-E358 PolarHBondContact O-N 3.41Å; E355-E358 PolarHBondContact O-N 3.08Å; E358-S362 WeakPolarHBondContact O-CB 3.45Å; E358-S362 PolarHBondContact O-N 2.99Å; E358-S362 PolarHBondContact O-OG 3.22Å; E358-L367 HydrophobicContact CB-CD1 4.33Å; E358-L367 HydrophobicContact CG-CD1 3.73Å; E358-L367 WeakPolarHBondContact O-CD1 3.23Å; E358-V370 HydrophobicContact CB-CG2 3.89Å; E358-V370 HydrophobicContact CG-CG2 4.21Å
359	K	92	Very high	90	Very high	173 Å²	173	75.3 Å²	75.3	75%	0.752	38%	0.379	S	S	*	.	H	α-helix	trans	-62.8	-43.3	174.5	-174.2	178	177.1	-174.8	0	113	E355 L357 S362	E355-K359 VanDerWaalsContact O-CB 3.31Å; E355-K359 WeakPolarHBondContact O-CB 3.33Å; E355-K359 PolarHBondContact O-N 3.01Å; L357-K359 VanDerWaalsContact C-N 3.3Å; L357-K359 PolarHBondContact O-N 2.71Å; K359-S362 PolarHBondContact O-OG 3.37Å
360	S	90.4	Very high	90.5	Very high	25 Å²	25	75.6 Å²	75.6	18%	0.175	38%	0.38	C	S	.	.	H	α-helix	trans	-75	-30.2	-178.5	69.7	0	0	0	0	113.5	I356 L357 F364	I356-S360 WeakPolarHBondContact O-CB 3.2Å; I356-S360 PolarHBondContact O-N 3.05Å; I356-S360 PolarHBondContact O-OG 3.16Å; L357-S360 PolarHBondContact O-N 3.19Å; L357-S360 PolarHBondContact O-OG 2.87Å; S360-F364 VanDerWaalsContact O-CE2 3.31Å; S360-F364 WeakPolarHBondContact O-CE2 3.43Å
361	F	92.3	Very high	91	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-92.4	-21.7	-178.7	-78.7	-81	0	0	0	114.4	L343 V345 L357 E363 F364 L367 V379 F381 A390 M394 I404 I406	L343-F361 HydrophobicContact CD1-CD1 4.41Å; L343-F361 HydrophobicContact CD1-CE1 4.11Å; V345-F361 HydrophobicContact CG1-CZ 4.47Å; V345-F361 HydrophobicContact CG2-CE1 4.38Å; V345-F361 HydrophobicContact CG2-CE2 4Å; V345-F361 HydrophobicContact CG2-CZ 3.62Å; L357-F361 HydrophobicContact CB-CD2 4.44Å; L357-F361 HydrophobicContact CD2-CD2 4.32Å; L357-F361 HydrophobicContact CD2-CE2 3.94Å; L357-F361 WeakPolarHBondContact O-CB 3.31Å; L357-F361 VanDerWaalsContact O-CD2 3.31Å; L357-F361 WeakPolarHBondContact O-CD2 3.5Å; L357-F361 PolarHBondContact O-N 3.34Å; F361-E363 VanDerWaalsContact C-N 3.26Å; F361-E363 PolarHBondContact O-N 2.99Å; F361-F364 PolarHBondContact O-N 2.99Å; F361-L367 HydrophobicContact CB-CD1 4.06Å; F361-L367 HydrophobicContact CB-CD2 4.22Å; F361-V379 HydrophobicContact CB-CG1 3.77Å; F361-V379 HydrophobicContact CD1-CG1 4.15Å; F361-V379 HydrophobicContact CD2-CG1 4.4Å; F361-V379 HydrophobicContact CD2-CG2 3.94Å; F361-V379 HydrophobicContact CE2-CG2 4.17Å; F361-V379 HydrophobicContact CG-CG1 3.85Å; F361-V379 HydrophobicContact CG-CG2 4.18Å; F361-F381 HydrophobicContact CB-CZ 4.02Å; F361-F381 HydrophobicContact CD1-CE2 4.22Å; F361-F381 HydrophobicContact CD1-CZ 4.02Å; F361-F381 WeakPolarHBondContact O-CE1 3.41Å; F361-F381 WeakPolarHBondContact O-CZ 3.42Å; F361-A390 HydrophobicContact CD1-CB 4.08Å; F361-A390 HydrophobicContact CE1-CB 4.41Å; F361-M394 HydrophobicContact CE1-CB 4.25Å; F361-M394 HydrophobicContact CE1-CG 4.35Å; F361-M394 HydrophobicContact CZ-CB 4.46Å; F361-I404 HydrophobicContact CE2-CD1 4.47Å; F361-I404 HydrophobicContact CZ-CD1 4.07Å; F361-I406 HydrophobicContact CE1-CD1 3.83Å; F361-I406 HydrophobicContact CZ-CD1 3.7Å
362	S	90.2	Very high	91.1	Very high	57 Å²	57	71.9 Å²	71.9	40%	0.399	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-70	-17.6	178.3	49	0	0	0	0	114.5	E358 K359 F364 G365	E358-S362 WeakPolarHBondContact O-CB 3.45Å; E358-S362 PolarHBondContact O-N 2.99Å; E358-S362 PolarHBondContact O-OG 3.22Å; K359-S362 PolarHBondContact O-OG 3.37Å; S362-F364 PolarHBondContact O-N 3.45Å; S362-G365 WeakPolarHBondContact CA-O 3.36Å; S362-G365 PolarHBondContact O-N 3.21Å
363	E	90.8	Very high	91	Very high	159 Å²	159	74.5 Å²	74.5	74%	0.743	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-59.2	-29.9	172.4	-173.7	174.9	175.1	0	0	112.4	F361	F361-E363 VanDerWaalsContact C-N 3.26Å; F361-E363 PolarHBondContact O-N 2.99Å
364	F	91.4	Very high	90.7	Very high	19 Å²	19	80 Å²	80	8%	0.083	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-88.7	-14.7	-177.9	-53.9	-77.2	0	0	0	113.8	S360 F361 S362 F381 A386 K389 A390 E393 M394	S360-F364 VanDerWaalsContact O-CE2 3.31Å; S360-F364 WeakPolarHBondContact O-CE2 3.43Å; F361-F364 PolarHBondContact O-N 2.99Å; S362-F364 PolarHBondContact O-N 3.45Å; F364-F381 HydrophobicContact CB-CE1 4.2Å; F364-F381 HydrophobicContact CB-CZ 4.42Å; F364-A386 WeakPolarHBondContact O-CB 3.04Å; F364-K389 HydrophobicContact CD1-CD 4.18Å; F364-K389 HydrophobicContact CD1-CG 4.28Å; F364-A390 HydrophobicContact CB-CB 3.66Å; F364-A390 HydrophobicContact CD1-CB 4.34Å; F364-A390 HydrophobicContact CD2-CB 3.67Å; F364-A390 HydrophobicContact CG-CB 3.59Å; F364-E393 HydrophobicContact CE1-CB 3.77Å; F364-E393 WeakPolarHBondContact CE1-OE2 3Å; F364-E393 HydrophobicContact CZ-CB 4.36Å; F364-M394 HydrophobicContact CD2-CG 4.25Å; F364-M394 HydrophobicContact CE1-CG 4.41Å; F364-M394 HydrophobicContact CE2-CG 3.29Å; F364-M394 HydrophobicContact CE2-SD 3.62Å; F364-M394 HydrophobicContact CZ-CG 3.41Å; F364-M394 VanDerWaalsContact CZ-CG 3.41Å; F364-M394 HydrophobicContact CZ-SD 3.55Å; F364-M394 VanDerWaalsContact CZ-SD 3.55Å
365	G	90.5	Very high	90.4	Very high	23 Å²	23	78.3 Å²	78.3	24%	0.237	37%	0.371	C	S	.	.	S	Bend	trans	155.7	172.2	179.3	0	0	0	0	0	113.3	S362 L367	S362-G365 WeakPolarHBondContact CA-O 3.36Å; S362-G365 PolarHBondContact O-N 3.21Å; G365-L367 PolarHBondContact O-N 3.34Å
366	K	91.3	Very high	90.4	Very high	136 Å²	136	74.5 Å²	74.5	59%	0.591	35%	0.351	S	S	*	.			trans	-65.7	124.9	-176.3	179.7	154.2	160.2	-90.1	0	111.6	E382	K366-E382 HydrophobicContact CB-CB 4.44Å; K366-E382 VanDerWaalsContact CD-OE2 3.23Å; K366-E382 WeakPolarHBondContact CD-OE2 3.07Å; K366-E382 VanDerWaalsContact CG-OE2 3.3Å; K366-E382 WeakPolarHBondContact CG-OE2 3.44Å; K366-E382 IonicContact NZ-OE1 3.22Å; K366-E382 PolarHBondContact NZ-OE1 2.57Å; K366-E382 IonicContact NZ-OE2 2.7Å; K366-E382 PolarHBondContact NZ-OE2 2.93Å; K366-E382 WeakPolarHBondContact O-CB 3.46Å; K366-E382 PolarHBondContact O-N 2.87Å
367	L	90.9	Very high	90.4	Very high	27 Å²	27	71.8 Å²	71.8	14%	0.141	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	141.6	176.2	-64.4	175.8	0	0	0	110.6	E358 F361 G365 V370 V379 H380 F381	E358-L367 HydrophobicContact CB-CD1 4.33Å; E358-L367 HydrophobicContact CG-CD1 3.73Å; E358-L367 WeakPolarHBondContact O-CD1 3.23Å; F361-L367 HydrophobicContact CB-CD1 4.06Å; F361-L367 HydrophobicContact CB-CD2 4.22Å; G365-L367 PolarHBondContact O-N 3.34Å; L367-V370 HydrophobicContact CD1-CG2 4.01Å; L367-V379 HydrophobicContact CD2-CG1 3.47Å; L367-V379 VanDerWaalsContact CD2-CG1 3.47Å; L367-H380 WeakPolarHBondContact CA-O 3.19Å; L367-F381 HydrophobicContact CD2-CD1 3.68Å; L367-F381 HydrophobicContact CD2-CD2 4.09Å; L367-F381 HydrophobicContact CD2-CE1 3.53Å; L367-F381 HydrophobicContact CD2-CE2 3.95Å; L367-F381 HydrophobicContact CD2-CG 3.97Å; L367-F381 HydrophobicContact CD2-CZ 3.68Å; L367-F381 HydrophobicContact CG-CE1 4.49Å
368	E	91.2	Very high	90.5	Very high	141 Å²	141	74.6 Å²	74.6	66%	0.659	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	-41.2	169.9	174.8	-170	-137.8	0	0	110.2	H380	E368-H380 HydrophobicContact CB-CB 3.87Å; E368-H380 HydrophobicContact CG-CB 4.42Å; E368-H380 PolarHBondContact N-O 3.38Å; E368-H380 WeakPolarHBondContact OE2-CB 3.33Å; E368-H380 IonicContact OE2-CG 2.77Å; E368-H380 IonicContact OE2-ND1 2.69Å; E368-H380 PolarHBondContact OE2-ND1 2.79Å
369	R	90.5	Very high	90.6	Very high	137 Å²	137	69.7 Å²	69.7	52%	0.517	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	137.9	-179.9	-173.9	177.9	65.7	-172.9	-1.6	112.1	H380	R369-H380 HydrophobicContact CB-CB 4.37Å; R369-H380 PolarHBondContact NH2-CE1 2.79Å; R369-H380 PolarHBondContact NH2-NE2 3.34Å; R369-H380 VanDerWaalsContact O-CB 3.32Å; R369-H380 WeakPolarHBondContact O-CB 3.42Å; R369-H380 PolarHBondContact O-N 2.78Å
370	V	93.3	Very high	90.7	Very high	14 Å²	14	63 Å²	63	9%	0.085	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	145.8	160.7	178.7	0	0	0	0	109.8	E354 L357 E358 L367 F378 V379	E354-V370 HydrophobicContact CB-CG1 4.18Å; E354-V370 HydrophobicContact CG-CG1 4.38Å; L357-V370 HydrophobicContact CB-CG1 3.83Å; L357-V370 HydrophobicContact CD1-CG1 4.09Å; E358-V370 HydrophobicContact CB-CG2 3.89Å; E358-V370 HydrophobicContact CG-CG2 4.21Å; L367-V370 HydrophobicContact CD1-CG2 4.01Å; V370-F378 CarbonylContact C-O 3.55Å; V370-V379 HydrophobicContact CG2-CG1 4.47Å
371	K	92.6	Very high	90.9	Very high	103 Å²	103	61.9 Å²	61.9	45%	0.448	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	114.7	166.6	-173.5	173.5	-178.4	167.7	0	112	E354 L373 A377 F378	E354-K371 VanDerWaalsContact OE1-CA 3.28Å; E354-K371 WeakPolarHBondContact OE1-CA 3.23Å; K371-L373 HydrophobicContact CD-CD1 4.24Å; K371-L373 HydrophobicContact CG-CD1 3.96Å; K371-A377 CarbonylContact O-C 3.1Å; K371-A377 VanDerWaalsContact O-CA 3.26Å; K371-A377 WeakPolarHBondContact O-CA 3.37Å; K371-F378 PolarHBondContact N-O 3.14Å; K371-F378 PolarHBondContact O-N 2.85Å
372	K	90.1	Very high	90.8	Very high	34 Å²	34	66.8 Å²	66.8	15%	0.148	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	145.4	173.2	-164.4	-171.8	-175.2	-160.1	0	110.9	L348 A349 T350 V352 E354 L357 K374 Y376 A377	L348-K372 HydrophobicContact CD1-CG 4.46Å; A349-K372 PolarHBondContact O-NZ 3.34Å; T350-K372 PolarHBondContact O-NZ 2.89Å; T350-K372 VanDerWaalsContact O-NZ 3.15Å; V352-K372 WeakPolarHBondContact O-CD 3.31Å; V352-K372 VanDerWaalsContact O-CE 3.24Å; V352-K372 WeakPolarHBondContact O-CE 3.3Å; V352-K372 PolarHBondContact O-NZ 2.86Å; E354-K372 HydrophobicContact CG-CB 3.69Å; E354-K372 PolarHBondContact OE1-N 2.86Å; L357-K372 HydrophobicContact CD1-CB 4.35Å; L357-K372 HydrophobicContact CD1-CG 4.44Å; K372-K374 WeakPolarHBondContact CE-O 3.31Å; K372-K374 PolarHBondContact NZ-O 3.41Å; K372-Y376 WeakPolarHBondContact CG-O 3.33Å; K372-A377 HydrophobicContact CB-CB 4.31Å; K372-A377 HydrophobicContact CG-CB 4.35Å
373	L	85.9	Confident	90.9	Very high	57 Å²	57	68.4 Å²	68.4	30%	0.298	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	110.7	168	-63.1	89.5	0	0	0	108.2	K371 D375 Y376 F378	K371-L373 HydrophobicContact CD-CD1 4.24Å; K371-L373 HydrophobicContact CG-CD1 3.96Å; L373-D375 PolarHBondContact O-N 2.72Å; L373-Y376 CarbonylContact C-O 3.51Å; L373-Y376 HydrophobicContact CB-CD2 4.14Å; L373-Y376 HydrophobicContact CB-CE1 4.33Å; L373-Y376 HydrophobicContact CB-CE2 3.61Å; L373-Y376 HydrophobicContact CD1-CE2 4.03Å; L373-Y376 HydrophobicContact CD2-CE2 4.24Å; L373-Y376 HydrophobicContact CG-CE2 4.18Å; L373-Y376 PolarHBondContact N-O 2.94Å; L373-Y376 WeakPolarHBondContact O-CD1 3.39Å; L373-Y376 PolarHBondContact O-N 3.35Å; L373-Y376 VanDerWaalsContact O-O 3.04Å; L373-F378 HydrophobicContact CD1-CD2 3.99Å; L373-F378 HydrophobicContact CD1-CE2 4.16Å
374	K	84.2	Confident	90.9	Very high	174 Å²	174	65.9 Å²	65.9	76%	0.757	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-102.7	178.1	-57.6	-171.8	178.9	-168.6	0	112.9	K372	K372-K374 WeakPolarHBondContact CE-O 3.31Å; K372-K374 PolarHBondContact NZ-O 3.41Å
375	D	85.3	Confident	90.9	Very high	52 Å²	52	67.1 Å²	67.1	28%	0.278	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	5	-173.8	56.3	-50.7	0	0	0	114.3	N347 L348 L373	N347-D375 PolarHBondContact N-O 2.78Å; L348-D375 PolarHBondContact N-O 3.27Å; L373-D375 PolarHBondContact O-N 2.72Å
376	Y	90	Very high	91	Very high	72 Å²	72	66.6 Å²	66.6	28%	0.282	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	166.6	-179.4	60.5	-91.3	0	0	0	113	F344 V345 K372 L373 F378	F344-Y376 HydrophobicContact CD2-CD2 4.4Å; F344-Y376 AromaticContact CE2-CD2 3.61Å; F344-Y376 HydrophobicContact CE2-CD2 3.61Å; F344-Y376 HydrophobicContact CE2-CE2 4.35Å; F344-Y376 AromaticContact CE2-CG 3.9Å; F344-Y376 HydrophobicContact CE2-CG 3.9Å; V345-Y376 CarbonylContact O-C 3.54Å; V345-Y376 WeakPolarHBondContact O-CA 3.09Å; V345-Y376 VanDerWaalsContact O-CB 3.22Å; V345-Y376 WeakPolarHBondContact O-CB 3.39Å; K372-Y376 WeakPolarHBondContact CG-O 3.33Å; L373-Y376 CarbonylContact C-O 3.51Å; L373-Y376 HydrophobicContact CB-CD2 4.14Å; L373-Y376 HydrophobicContact CB-CE1 4.33Å; L373-Y376 HydrophobicContact CB-CE2 3.61Å; L373-Y376 HydrophobicContact CD1-CE2 4.03Å; L373-Y376 HydrophobicContact CD2-CE2 4.24Å; L373-Y376 HydrophobicContact CG-CE2 4.18Å; L373-Y376 PolarHBondContact N-O 2.94Å; L373-Y376 WeakPolarHBondContact O-CD1 3.39Å; L373-Y376 PolarHBondContact O-N 3.35Å; L373-Y376 VanDerWaalsContact O-O 3.04Å; Y376-F378 HydrophobicContact CD2-CE2 4.15Å; Y376-F378 AromaticContact CE2-CE2 3.92Å; Y376-F378 HydrophobicContact CE2-CE2 3.92Å; Y376-F378 HydrophobicContact CE2-CZ 4.44Å
377	A	92.1	Very high	91	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	159	176.4	0	0	0	0	0	112.9	F344 V345 L348 L357 K371 K372	F344-A377 WeakPolarHBondContact CA-O 3.3Å; V345-A377 HydrophobicContact CB-CB 4.5Å; V345-A377 PolarHBondContact N-O 3.43Å; V345-A377 PolarHBondContact O-N 2.92Å; L348-A377 HydrophobicContact CD1-CB 3.54Å; L357-A377 HydrophobicContact CD1-CB 3.64Å; K371-A377 CarbonylContact O-C 3.1Å; K371-A377 VanDerWaalsContact O-CA 3.26Å; K371-A377 WeakPolarHBondContact O-CA 3.37Å; K372-A377 HydrophobicContact CB-CB 4.31Å; K372-A377 HydrophobicContact CG-CB 4.35Å
378	F	93.6	Very high	91.1	Very high	60 Å²	60	60.8 Å²	60.8	26%	0.263	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.8	168.2	-63.9	-76.8	0	0	0	109.6	V342 L343 F344 V370 K371 L373 Y376 A409	V342-F378 HydrophobicContact CG1-CB 4.2Å; V342-F378 HydrophobicContact CG1-CD1 4.41Å; L343-F378 CarbonylContact O-C 3.33Å; L343-F378 VanDerWaalsContact O-CA 3.3Å; L343-F378 WeakPolarHBondContact O-CA 3.12Å; F344-F378 HydrophobicContact CB-CD1 4.23Å; F344-F378 HydrophobicContact CB-CE1 4.06Å; F344-F378 AromaticContact CD2-CD1 3.99Å; F344-F378 HydrophobicContact CD2-CD1 3.99Å; F344-F378 AromaticContact CD2-CE1 3.42Å; F344-F378 HydrophobicContact CD2-CE1 3.42Å; F344-F378 VanDerWaalsContact CD2-CE1 3.42Å; F344-F378 AromaticContact CD2-CZ 3.74Å; F344-F378 HydrophobicContact CD2-CZ 3.74Å; F344-F378 HydrophobicContact CE2-CE1 4.09Å; F344-F378 AromaticContact CE2-CZ 3.93Å; F344-F378 HydrophobicContact CE2-CZ 3.93Å; F344-F378 AromaticContact CG-CE1 3.97Å; F344-F378 HydrophobicContact CG-CE1 3.97Å; V370-F378 CarbonylContact C-O 3.55Å; K371-F378 PolarHBondContact N-O 3.14Å; K371-F378 PolarHBondContact O-N 2.85Å; L373-F378 HydrophobicContact CD1-CD2 3.99Å; L373-F378 HydrophobicContact CD1-CE2 4.16Å; Y376-F378 HydrophobicContact CD2-CE2 4.15Å; Y376-F378 AromaticContact CE2-CE2 3.92Å; Y376-F378 HydrophobicContact CE2-CE2 3.92Å; Y376-F378 HydrophobicContact CE2-CZ 4.44Å; F378-A409 HydrophobicContact CD1-CB 3.97Å; F378-A409 HydrophobicContact CE1-CB 4.15Å
379	V	94.6	Very high	91.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	108.6	-179.2	179.1	0	0	0	0	108	V342 L343 V345 F361 L367 V370 F381	V342-V379 CarbonylContact C-O 3.59Å; V342-V379 WeakPolarHBondContact CA-O 3.29Å; L343-V379 HydrophobicContact CB-CB 4.37Å; L343-V379 PolarHBondContact N-O 2.85Å; L343-V379 PolarHBondContact O-N 3.25Å; V345-V379 HydrophobicContact CG2-CG2 4.02Å; F361-V379 HydrophobicContact CB-CG1 3.77Å; F361-V379 HydrophobicContact CD1-CG1 4.15Å; F361-V379 HydrophobicContact CD2-CG1 4.4Å; F361-V379 HydrophobicContact CD2-CG2 3.94Å; F361-V379 HydrophobicContact CE2-CG2 4.17Å; F361-V379 HydrophobicContact CG-CG1 3.85Å; F361-V379 HydrophobicContact CG-CG2 4.18Å; L367-V379 HydrophobicContact CD2-CG1 3.47Å; L367-V379 VanDerWaalsContact CD2-CG1 3.47Å; V370-V379 HydrophobicContact CG2-CG1 4.47Å; V379-F381 HydrophobicContact CG1-CD2 4.12Å; V379-F381 HydrophobicContact CG1-CE2 3.6Å; V379-F381 HydrophobicContact CG1-CZ 4.18Å
380	H	93.1	Very high	91.3	Very high	33 Å²	33	52 Å²	52	15%	0.153	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	122.2	177.8	-68.1	-128.8	0	0	0	110.5	V342 L367 E368 R369	V342-H380 HydrophobicContact CG2-CB 4.33Å; L367-H380 WeakPolarHBondContact CA-O 3.19Å; E368-H380 HydrophobicContact CB-CB 3.87Å; E368-H380 HydrophobicContact CG-CB 4.42Å; E368-H380 PolarHBondContact N-O 3.38Å; E368-H380 WeakPolarHBondContact OE2-CB 3.33Å; E368-H380 IonicContact OE2-CG 2.77Å; E368-H380 IonicContact OE2-ND1 2.69Å; E368-H380 PolarHBondContact OE2-ND1 2.79Å; R369-H380 HydrophobicContact CB-CB 4.37Å; R369-H380 PolarHBondContact NH2-CE1 2.79Å; R369-H380 PolarHBondContact NH2-NE2 3.34Å; R369-H380 VanDerWaalsContact O-CB 3.32Å; R369-H380 WeakPolarHBondContact O-CB 3.42Å; R369-H380 PolarHBondContact O-N 2.78Å
381	F	94.1	Very high	91.2	Very high	2 Å²	2	53 Å²	53	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	148.4	169.4	-74.4	-92.4	0	0	0	111.9	K341 L343 F361 F364 L367 V379 D383 A386 A387 A390	K341-F381 VanDerWaalsContact CB-O 3.28Å; K341-F381 WeakPolarHBondContact CB-O 3.45Å; K341-F381 PolarHBondContact O-N 2.76Å; L343-F381 HydrophobicContact CD1-CD2 4.38Å; L343-F381 HydrophobicContact CD1-CE2 3.72Å; L343-F381 HydrophobicContact CG-CD2 4.35Å; L343-F381 HydrophobicContact CG-CE2 4.13Å; F361-F381 HydrophobicContact CB-CZ 4.02Å; F361-F381 HydrophobicContact CD1-CE2 4.22Å; F361-F381 HydrophobicContact CD1-CZ 4.02Å; F361-F381 WeakPolarHBondContact O-CE1 3.41Å; F361-F381 WeakPolarHBondContact O-CZ 3.42Å; F364-F381 HydrophobicContact CB-CE1 4.2Å; F364-F381 HydrophobicContact CB-CZ 4.42Å; L367-F381 HydrophobicContact CD2-CD1 3.68Å; L367-F381 HydrophobicContact CD2-CD2 4.09Å; L367-F381 HydrophobicContact CD2-CE1 3.53Å; L367-F381 HydrophobicContact CD2-CE2 3.95Å; L367-F381 HydrophobicContact CD2-CG 3.97Å; L367-F381 HydrophobicContact CD2-CZ 3.68Å; L367-F381 HydrophobicContact CG-CE1 4.49Å; V379-F381 HydrophobicContact CG1-CD2 4.12Å; V379-F381 HydrophobicContact CG1-CE2 3.6Å; V379-F381 HydrophobicContact CG1-CZ 4.18Å; F381-D383 VanDerWaalsContact CB-O 3.27Å; F381-D383 WeakPolarHBondContact CB-O 3.27Å; F381-D383 PolarHBondContact O-N 3.49Å; F381-A386 HydrophobicContact CB-CB 4.46Å; F381-A386 HydrophobicContact CD1-CB 3.61Å; F381-A386 HydrophobicContact CE1-CB 4.14Å; F381-A386 HydrophobicContact CG-CB 4.25Å; F381-A387 HydrophobicContact CB-CB 4.1Å; F381-A387 HydrophobicContact CD2-CB 3.77Å; F381-A387 HydrophobicContact CG-CB 4.09Å; F381-A390 HydrophobicContact CE1-CB 4.35Å; F381-A390 HydrophobicContact CE2-CB 3.89Å; F381-A390 HydrophobicContact CZ-CB 3.5Å
382	E	91.9	Very high	91.1	Very high	103 Å²	103	53.5 Å²	53.5	48%	0.481	26%	0.264	S	S	.	.	S	Bend	trans	-68.3	-24.1	171.2	-175.4	169.2	-133.8	0	0	112.4	K341 K366	K341-E382 WeakPolarHBondContact CD-O 3.25Å; K341-E382 WeakPolarHBondContact CE-O 3.08Å; K341-E382 PolarHBondContact NZ-O 3.36Å; K366-E382 HydrophobicContact CB-CB 4.44Å; K366-E382 VanDerWaalsContact CD-OE2 3.23Å; K366-E382 WeakPolarHBondContact CD-OE2 3.07Å; K366-E382 VanDerWaalsContact CG-OE2 3.3Å; K366-E382 WeakPolarHBondContact CG-OE2 3.44Å; K366-E382 IonicContact NZ-OE1 3.22Å; K366-E382 PolarHBondContact NZ-OE1 2.57Å; K366-E382 IonicContact NZ-OE2 2.7Å; K366-E382 PolarHBondContact NZ-OE2 2.93Å; K366-E382 WeakPolarHBondContact O-CB 3.46Å; K366-E382 PolarHBondContact O-N 2.87Å
383	D	92	Very high	91.2	Very high	90 Å²	90	56.3 Å²	56.3	48%	0.481	28%	0.278	S	S	.	.			trans	-128.3	151.5	176.6	-179.8	48.2	0	0	0	113.7	F381 G385 A386 A387	F381-D383 VanDerWaalsContact CB-O 3.27Å; F381-D383 WeakPolarHBondContact CB-O 3.27Å; F381-D383 PolarHBondContact O-N 3.49Å; D383-G385 VanDerWaalsContact OD2-CA 3.24Å; D383-G385 WeakPolarHBondContact OD2-CA 3.39Å; D383-G385 PolarHBondContact OD2-N 2.58Å; D383-A386 HydrophobicContact CB-CB 4.41Å; D383-A386 PolarHBondContact OD2-N 2.68Å; D383-A387 PolarHBondContact O-N 3.1Å
384	R	89.7	Confident	91.4	Very high	107 Å²	107	54.2 Å²	54.2	40%	0.404	27%	0.267	S	S	.	.	H	α-helix	trans	-75.5	-34.4	177.1	-177.8	172.3	174	-111.6	-6.3	112.8	A338 K341 A387 V388	A338-R384 WeakPolarHBondContact O-CD 3.37Å; A338-R384 PolarHBondContact O-NE 3.27Å; A338-R384 VanDerWaalsContact O-NE 3.13Å; K341-R384 HydrophobicContact CG-CB 4.16Å; R384-A387 PolarHBondContact O-N 3.07Å; R384-V388 HydrophobicContact CG-CG2 4.27Å; R384-V388 WeakPolarHBondContact O-CG2 3.48Å; R384-V388 PolarHBondContact O-N 3.13Å
385	G	91.7	Very high	91.7	Very high	45 Å²	45	50 Å²	50	46%	0.464	25%	0.253	S	S	.	.	H	α-helix	trans	-62.4	-45	176.2	0	0	0	0	0	111.3	D383 A387 V388 K389	D383-G385 VanDerWaalsContact OD2-CA 3.24Å; D383-G385 WeakPolarHBondContact OD2-CA 3.39Å; D383-G385 PolarHBondContact OD2-N 2.58Å; G385-A387 PolarHBondContact O-N 3.29Å; G385-V388 PolarHBondContact O-N 2.91Å; G385-K389 WeakPolarHBondContact O-CB 3.09Å; G385-K389 PolarHBondContact O-N 3.07Å
386	A	93	Very high	91.8	Very high	12 Å²	12	49.6 Å²	49.6	10%	0.099	26%	0.26	C	S	.	.	H	α-helix	trans	-57.2	-47.1	171.4	0	0	0	0	0	112.4	F364 F381 D383 K389 A390	F364-A386 WeakPolarHBondContact O-CB 3.04Å; F381-A386 HydrophobicContact CB-CB 4.46Å; F381-A386 HydrophobicContact CD1-CB 3.61Å; F381-A386 HydrophobicContact CE1-CB 4.14Å; F381-A386 HydrophobicContact CG-CB 4.25Å; D383-A386 HydrophobicContact CB-CB 4.41Å; D383-A386 PolarHBondContact OD2-N 2.68Å; A386-K389 PolarHBondContact O-N 3.46Å; A386-A390 VanDerWaalsContact O-CB 3.26Å; A386-A390 WeakPolarHBondContact O-CB 3.26Å; A386-A390 PolarHBondContact O-N 3.45Å
387	A	91.7	Very high	91.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-46	178	0	0	0	0	0	113.1	L343 F381 D383 R384 G385 A390 M391	L343-A387 WeakPolarHBondContact CD1-O 3.07Å; L343-A387 HydrophobicContact CD2-CB 4.07Å; L343-A387 WeakPolarHBondContact CD2-O 3.25Å; L343-A387 HydrophobicContact CG-CB 4.34Å; F381-A387 HydrophobicContact CB-CB 4.1Å; F381-A387 HydrophobicContact CD2-CB 3.77Å; F381-A387 HydrophobicContact CG-CB 4.09Å; D383-A387 PolarHBondContact O-N 3.1Å; R384-A387 PolarHBondContact O-N 3.07Å; G385-A387 PolarHBondContact O-N 3.29Å; A387-A390 PolarHBondContact O-N 2.87Å; A387-M391 WeakPolarHBondContact O-CB 3.43Å; A387-M391 PolarHBondContact O-N 2.86Å
388	V	92.4	Very high	91.4	Very high	40 Å²	40	57.2 Å²	57.2	24%	0.242	30%	0.297	C	S	.	.	H	α-helix	trans	-66.7	-44.4	179	174.7	0	0	0	0	110.8	R384 G385 A390 M391 D392	R384-V388 HydrophobicContact CG-CG2 4.27Å; R384-V388 WeakPolarHBondContact O-CG2 3.48Å; R384-V388 PolarHBondContact O-N 3.13Å; G385-V388 PolarHBondContact O-N 2.91Å; V388-A390 VanDerWaalsContact C-N 3.35Å; V388-A390 PolarHBondContact O-N 3.43Å; V388-M391 WeakPolarHBondContact O-CB 3.29Å; V388-M391 PolarHBondContact O-N 3.02Å; V388-D392 PolarHBondContact O-N 3.31Å
389	K	92.5	Very high	90.9	Very high	94 Å²	94	55.2 Å²	55.2	41%	0.409	29%	0.289	S	S	.	.	H	α-helix	trans	-57.5	-47.2	174.8	-171.5	-166.5	172.9	-161.1	0	111.6	F364 G385 A386 M391 D392 E393	F364-K389 HydrophobicContact CD1-CD 4.18Å; F364-K389 HydrophobicContact CD1-CG 4.28Å; G385-K389 WeakPolarHBondContact O-CB 3.09Å; G385-K389 PolarHBondContact O-N 3.07Å; A386-K389 PolarHBondContact O-N 3.46Å; K389-M391 VanDerWaalsContact C-N 3.33Å; K389-M391 PolarHBondContact O-N 3.49Å; K389-D392 PolarHBondContact O-N 3.13Å; K389-E393 WeakPolarHBondContact CE-OE1 3.2Å; K389-E393 VanDerWaalsContact CE-OE2 3.25Å; K389-E393 WeakPolarHBondContact CE-OE2 3.33Å; K389-E393 HydrophobicContact CG-CG 4.47Å; K389-E393 WeakPolarHBondContact CG-OE1 3.24Å; K389-E393 IonicContact NZ-OE1 3.49Å; K389-E393 IonicContact NZ-OE2 3.89Å; K389-E393 WeakPolarHBondContact O-CB 3.39Å; K389-E393 PolarHBondContact O-N 3.08Å
390	A	93	Very high	90.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-37.3	178	0	0	0	0	0	112.6	L343 F361 F364 F381 A386 A387 V388 M394	L343-A390 HydrophobicContact CD1-CB 3.89Å; F361-A390 HydrophobicContact CD1-CB 4.08Å; F361-A390 HydrophobicContact CE1-CB 4.41Å; F364-A390 HydrophobicContact CB-CB 3.66Å; F364-A390 HydrophobicContact CD1-CB 4.34Å; F364-A390 HydrophobicContact CD2-CB 3.67Å; F364-A390 HydrophobicContact CG-CB 3.59Å; F381-A390 HydrophobicContact CE1-CB 4.35Å; F381-A390 HydrophobicContact CE2-CB 3.89Å; F381-A390 HydrophobicContact CZ-CB 3.5Å; A386-A390 VanDerWaalsContact O-CB 3.26Å; A386-A390 WeakPolarHBondContact O-CB 3.26Å; A386-A390 PolarHBondContact O-N 3.45Å; A387-A390 PolarHBondContact O-N 2.87Å; V388-A390 VanDerWaalsContact C-N 3.35Å; V388-A390 PolarHBondContact O-N 3.43Å; A390-M394 WeakPolarHBondContact O-CB 3.33Å; A390-M394 WeakPolarHBondContact O-CG 3.34Å; A390-M394 PolarHBondContact O-N 3.38Å
391	M	91.5	Very high	89.6	Confident	36 Å²	36	62.2 Å²	62.2	18%	0.177	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-53.3	173.5	-177	-175.2	75.9	0	0	110.7	L343 A387 V388 K389 E393 N395 I406 L408	L343-M391 HydrophobicContact CD1-CB 4.25Å; L343-M391 HydrophobicContact CD2-CB 4.04Å; A387-M391 WeakPolarHBondContact O-CB 3.43Å; A387-M391 PolarHBondContact O-N 2.86Å; V388-M391 WeakPolarHBondContact O-CB 3.29Å; V388-M391 PolarHBondContact O-N 3.02Å; K389-M391 VanDerWaalsContact C-N 3.33Å; K389-M391 PolarHBondContact O-N 3.49Å; M391-E393 VanDerWaalsContact C-N 3.35Å; M391-E393 PolarHBondContact O-N 3.36Å; M391-N395 WeakPolarHBondContact O-CB 3.43Å; M391-N395 PolarHBondContact O-N 3.47Å; M391-I406 HydrophobicContact CB-CG2 4.18Å; M391-I406 HydrophobicContact CG-CB 4.27Å; M391-I406 HydrophobicContact CG-CG2 3.97Å; M391-L408 HydrophobicContact SD-CG 4.08Å
392	D	91.8	Very high	89.1	Confident	113 Å²	113	64.4 Å²	64.4	60%	0.604	35%	0.347	S	S	*	.	H	α-helix	trans	-67.9	-31.8	-175.5	-63.4	-23.4	0	0	0	112.7	V388 K389	V388-D392 PolarHBondContact O-N 3.31Å; K389-D392 PolarHBondContact O-N 3.13Å
393	E	91.4	Very high	88.7	Confident	92 Å²	92	65.3 Å²	65.3	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-93.9	-14.3	-179.4	-70.6	-179.6	-152.3	0	0	114.9	F364 K389 M391 K397	F364-E393 HydrophobicContact CE1-CB 3.77Å; F364-E393 WeakPolarHBondContact CE1-OE2 3Å; F364-E393 HydrophobicContact CZ-CB 4.36Å; K389-E393 WeakPolarHBondContact CE-OE1 3.2Å; K389-E393 VanDerWaalsContact CE-OE2 3.25Å; K389-E393 WeakPolarHBondContact CE-OE2 3.33Å; K389-E393 HydrophobicContact CG-CG 4.47Å; K389-E393 WeakPolarHBondContact CG-OE1 3.24Å; K389-E393 IonicContact NZ-OE1 3.49Å; K389-E393 IonicContact NZ-OE2 3.89Å; K389-E393 WeakPolarHBondContact O-CB 3.39Å; K389-E393 PolarHBondContact O-N 3.08Å; M391-E393 VanDerWaalsContact C-N 3.35Å; M391-E393 PolarHBondContact O-N 3.36Å; E393-K397 WeakPolarHBondContact O-CE 3.34Å; E393-K397 PolarHBondContact O-NZ 3.05Å
394	M	89.8	Confident	88.6	Confident	14 Å²	14	61.1 Å²	61.1	7%	0.069	33%	0.329	C	S	.	.	H	α-helix	trans	-113.4	-14.9	178.4	-62.9	-73.9	-70.2	0	0	114.8	F361 F364 A390 G396 K397 I399 I404 I406	F361-M394 HydrophobicContact CE1-CB 4.25Å; F361-M394 HydrophobicContact CE1-CG 4.35Å; F361-M394 HydrophobicContact CZ-CB 4.46Å; F364-M394 HydrophobicContact CD2-CG 4.25Å; F364-M394 HydrophobicContact CE1-CG 4.41Å; F364-M394 HydrophobicContact CE2-CG 3.29Å; F364-M394 HydrophobicContact CE2-SD 3.62Å; F364-M394 HydrophobicContact CZ-CG 3.41Å; F364-M394 VanDerWaalsContact CZ-CG 3.41Å; F364-M394 HydrophobicContact CZ-SD 3.55Å; F364-M394 VanDerWaalsContact CZ-SD 3.55Å; A390-M394 WeakPolarHBondContact O-CB 3.33Å; A390-M394 WeakPolarHBondContact O-CG 3.34Å; A390-M394 PolarHBondContact O-N 3.38Å; M394-G396 PolarHBondContact O-N 2.97Å; M394-K397 HydrophobicContact CE-CD 4.41Å; M394-K397 PolarHBondContact O-N 2.95Å; M394-K397 VanDerWaalsContact O-N 3.15Å; M394-K397 HydrophobicContact SD-CD 3.59Å; M394-K397 VanDerWaalsContact SD-CD 3.59Å; M394-K397 PolarHBondContact SD-NZ 3.02Å; M394-K397 VanDerWaalsContact SD-NZ 3.41Å; M394-I399 HydrophobicContact CE-CD1 4.01Å; M394-I404 HydrophobicContact CB-CD1 4.39Å; M394-I404 WeakPolarHBondContact O-CG1 3.42Å; M394-I406 VanDerWaalsContact C-CD1 3.46Å; M394-I406 HydrophobicContact CB-CD1 3.41Å; M394-I406 VanDerWaalsContact CB-CD1 3.41Å
395	N	89.8	Confident	88.5	Confident	86 Å²	86	60.1 Å²	60.1	46%	0.46	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	125.9	175.9	-175.3	46.2	0	0	0	110.7	M391 E405 I406	M391-N395 WeakPolarHBondContact O-CB 3.43Å; M391-N395 PolarHBondContact O-N 3.47Å; N395-E405 WeakPolarHBondContact OD1-CA 3.46Å; N395-I406 HydrophobicContact CB-CB 4.16Å; N395-I406 HydrophobicContact CB-CG1 4.33Å; N395-I406 PolarHBondContact OD1-N 2.8Å
396	G	87.7	Confident	88.5	Confident	42 Å²	42	58.2 Å²	58.2	43%	0.433	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	4.2	-175.6	0	0	0	0	0	115.7	M394 I404	M394-G396 PolarHBondContact O-N 2.97Å; G396-I404 PolarHBondContact N-O 3Å
397	K	88.8	Confident	88.3	Confident	95 Å²	95	60.4 Å²	60.4	41%	0.413	32%	0.32	S	S	.	.			trans	-80.9	142.6	172	-78.7	-176.6	179.5	152.4	0	111.8	E393 M394 E403 I404	E393-K397 WeakPolarHBondContact O-CE 3.34Å; E393-K397 PolarHBondContact O-NZ 3.05Å; M394-K397 HydrophobicContact CE-CD 4.41Å; M394-K397 PolarHBondContact O-N 2.95Å; M394-K397 VanDerWaalsContact O-N 3.15Å; M394-K397 HydrophobicContact SD-CD 3.59Å; M394-K397 VanDerWaalsContact SD-CD 3.59Å; M394-K397 PolarHBondContact SD-NZ 3.02Å; M394-K397 VanDerWaalsContact SD-NZ 3.41Å; K397-E403 WeakPolarHBondContact O-CA 3.47Å; K397-I404 PolarHBondContact O-N 2.83Å
398	E	85.5	Confident	88.2	Confident	137 Å²	137	62.2 Å²	62.2	64%	0.64	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	126.5	169.6	-65.6	-175.1	154.9	0	0	111.4	E402 E403	E398-E402 CarbonylContact C-O 3.58Å; E398-E402 WeakPolarHBondContact CA-O 3.16Å; E398-E403 HydrophobicContact CG-CG 3.92Å
399	I	83.3	Confident	88	Confident	19 Å²	19	60.4 Å²	60.4	10%	0.097	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.6	163.7	-59.2	-170.2	0	0	0	107.8	V352 I356 M394 G401 E402 I404	V352-I399 HydrophobicContact CG2-CG2 3.75Å; I356-I399 HydrophobicContact CG2-CG2 4.08Å; M394-I399 HydrophobicContact CE-CD1 4.01Å; I399-G401 PolarHBondContact O-N 2.65Å; I399-G401 VanDerWaalsContact O-N 3.13Å; I399-E402 PolarHBondContact N-O 3.05Å; I399-E402 PolarHBondContact O-N 3.24Å; I399-E402 VanDerWaalsContact O-N 3.08Å; I399-I404 HydrophobicContact CB-CG2 4.23Å; I399-I404 HydrophobicContact CD1-CD1 3.73Å; I399-I404 HydrophobicContact CD1-CG2 4.4Å; I399-I404 HydrophobicContact CG1-CD1 4.23Å; I399-I404 HydrophobicContact CG1-CG2 4.19Å
400	E	79.4	Confident	87.6	Confident	123 Å²	123	60.7 Å²	60.7	58%	0.575	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	31.8	-175.1	-63	-62	126.5	0	0	113.7	A349 V352	A349-E400 HydrophobicContact CB-CB 4.24Å; V352-E400 HydrophobicContact CG2-CB 3.89Å; V352-E400 HydrophobicContact CG2-CG 3.61Å
401	G	81.6	Confident	86.9	Confident	57 Å²	57	62.4 Å²	62.4	59%	0.588	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	16	179.8	0	0	0	0	0	115.6	I399	I399-G401 PolarHBondContact O-N 2.65Å; I399-G401 VanDerWaalsContact O-N 3.13Å
402	E	81.8	Confident	86	Confident	47 Å²	47	66.5 Å²	66.5	22%	0.22	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.4	178.9	-55.7	-162.6	129.7	0	0	112.9	K285 L348 A349 E398 I399 I404	K285-E402 WeakPolarHBondContact CD-OE1 3.36Å; K285-E402 VanDerWaalsContact CE-OE1 3.24Å; K285-E402 WeakPolarHBondContact CE-OE1 3.27Å; K285-E402 IonicContact NZ-OE1 2.66Å; K285-E402 PolarHBondContact NZ-OE1 3.31Å; K285-E402 IonicContact NZ-OE2 3.11Å; K285-E402 PolarHBondContact NZ-OE2 3.14Å; L348-E402 VanDerWaalsContact C-OE2 3.27Å; A349-E402 WeakPolarHBondContact CA-OE2 3.29Å; A349-E402 HydrophobicContact CB-CG 4.11Å; A349-E402 VanDerWaalsContact CB-OE2 3.28Å; A349-E402 WeakPolarHBondContact CB-OE2 3.32Å; A349-E402 PolarHBondContact N-OE2 3.5Å; E398-E402 CarbonylContact C-O 3.58Å; E398-E402 WeakPolarHBondContact CA-O 3.16Å; I399-E402 PolarHBondContact N-O 3.05Å; I399-E402 PolarHBondContact O-N 3.24Å; I399-E402 VanDerWaalsContact O-N 3.08Å; E402-I404 PolarHBondContact O-N 3.37Å
403	E	85.2	Confident	84.7	Confident	122 Å²	122	65.1 Å²	65.1	57%	0.57	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	118.4	176.3	-65.4	-179	155	0	0	111.7	N347 K397 E398	N347-E403 PolarHBondContact ND2-O 2.83Å; K397-E403 WeakPolarHBondContact O-CA 3.47Å; E398-E403 HydrophobicContact CG-CG 3.92Å
404	I	89.7	Confident	83.4	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.01	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-86.5	132.5	-178.2	69.2	176.5	0	0	0	112.1	V345 R346 L348 F361 M394 G396 K397 I399 E402 I406	V345-I404 HydrophobicContact CG1-CB 3.99Å; V345-I404 HydrophobicContact CG1-CD1 3.99Å; V345-I404 HydrophobicContact CG1-CG1 4.42Å; V345-I404 HydrophobicContact CG1-CG2 4.47Å; R346-I404 WeakPolarHBondContact O-CA 3.2Å; L348-I404 HydrophobicContact CD2-CG2 3.67Å; F361-I404 HydrophobicContact CE2-CD1 4.47Å; F361-I404 HydrophobicContact CZ-CD1 4.07Å; M394-I404 HydrophobicContact CB-CD1 4.39Å; M394-I404 WeakPolarHBondContact O-CG1 3.42Å; G396-I404 PolarHBondContact N-O 3Å; K397-I404 PolarHBondContact O-N 2.83Å; I399-I404 HydrophobicContact CB-CG2 4.23Å; I399-I404 HydrophobicContact CD1-CD1 3.73Å; I399-I404 HydrophobicContact CD1-CG2 4.4Å; I399-I404 HydrophobicContact CG1-CD1 4.23Å; I399-I404 HydrophobicContact CG1-CG2 4.19Å; E402-I404 PolarHBondContact O-N 3.37Å; I404-I406 HydrophobicContact CD1-CD1 3.77Å; I404-I406 HydrophobicContact CD1-CG1 4.1Å; I404-I406 HydrophobicContact CG1-CD1 4.16Å; I404-I406 HydrophobicContact CG1-CG1 4.08Å
405	E	86.4	Confident	82.1	Confident	87 Å²	87	76.3 Å²	76.3	41%	0.407	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.5	169.4	177.3	-166.4	-155.4	0	0	108.4	V345 R346 N395	V345-E405 CarbonylContact C-O 3.6Å; V345-E405 WeakPolarHBondContact CA-O 3.34Å; R346-E405 HydrophobicContact CB-CB 4.04Å; R346-E405 WeakPolarHBondContact CD-OE2 3.45Å; R346-E405 PolarHBondContact N-O 3.34Å; R346-E405 IonicContact NH1-OE2 2.79Å; R346-E405 PolarHBondContact NH1-OE2 3.17Å; R346-E405 PolarHBondContact O-N 3.41Å; R346-E405 VanDerWaalsContact O-N 3.1Å; N395-E405 WeakPolarHBondContact OD1-CA 3.46Å
406	I	91.4	Very high	81	Confident	4 Å²	4	80.6 Å²	80.6	2%	0.021	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.6	178.9	-46.7	179	0	0	0	110.8	L343 V345 F361 M391 M394 N395 I404	L343-I406 HydrophobicContact CB-CG2 3.94Å; L343-I406 HydrophobicContact CD1-CG2 3.91Å; L343-I406 HydrophobicContact CD2-CG2 4.45Å; L343-I406 HydrophobicContact CG-CG2 4.32Å; V345-I406 HydrophobicContact CG1-CG1 4.31Å; V345-I406 HydrophobicContact CG2-CG1 4.36Å; V345-I406 HydrophobicContact CG2-CG2 4.33Å; F361-I406 HydrophobicContact CE1-CD1 3.83Å; F361-I406 HydrophobicContact CZ-CD1 3.7Å; M391-I406 HydrophobicContact CB-CG2 4.18Å; M391-I406 HydrophobicContact CG-CB 4.27Å; M391-I406 HydrophobicContact CG-CG2 3.97Å; M394-I406 VanDerWaalsContact C-CD1 3.46Å; M394-I406 HydrophobicContact CB-CD1 3.41Å; M394-I406 VanDerWaalsContact CB-CD1 3.41Å; N395-I406 HydrophobicContact CB-CB 4.16Å; N395-I406 HydrophobicContact CB-CG1 4.33Å; N395-I406 PolarHBondContact OD1-N 2.8Å; I404-I406 HydrophobicContact CD1-CD1 3.77Å; I404-I406 HydrophobicContact CD1-CG1 4.1Å; I404-I406 HydrophobicContact CG1-CD1 4.16Å; I404-I406 HydrophobicContact CG1-CG1 4.08Å
407	V	89.6	Confident	80	Confident	59 Å²	59	86.7 Å²	86.7	36%	0.358	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	159.2	171	-61.6	0	0	0	0	110.6	F344 A409	F344-V407 HydrophobicContact CB-CG2 4.17Å; F344-V407 HydrophobicContact CD1-CG2 3.78Å; F344-V407 HydrophobicContact CG-CG2 4.45Å; F344-V407 PolarHBondContact N-O 3.35Å; F344-V407 PolarHBondContact O-N 3.47Å; F344-V407 VanDerWaalsContact O-N 3.1Å; V407-A409 PolarHBondContact O-N 2.97Å
408	L	89.9	Confident	79.1	Confident	37 Å²	37	88.6 Å²	88.6	19%	0.194	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	126.9	166.8	-70.2	171.7	0	0	0	109.6	M337 V340 L343 M391 K410	M337-L408 HydrophobicContact CE-CB 3.58Å; M337-L408 HydrophobicContact CE-CD1 4.46Å; V340-L408 HydrophobicContact CG1-CB 4.32Å; V340-L408 HydrophobicContact CG1-CD2 4.21Å; L343-L408 HydrophobicContact CD2-CD2 3.94Å; M391-L408 HydrophobicContact SD-CG 4.08Å; L408-K410 PolarHBondContact O-N 2.85Å
409	A	87.9	Confident	78.4	Confident	3 Å²	3	88.9 Å²	88.9	3%	0.025	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-65.1	136.1	-178.6	0	0	0	0	0	110.9	V340 V342 F344 F378 V407	V340-A409 WeakPolarHBondContact CG1-O 3.47Å; V342-A409 HydrophobicContact CB-CB 3.98Å; V342-A409 HydrophobicContact CG1-CB 3.83Å; V342-A409 VanDerWaalsContact O-CB 3.26Å; V342-A409 WeakPolarHBondContact O-CB 3.48Å; V342-A409 PolarHBondContact O-N 2.9Å; F344-A409 HydrophobicContact CB-CB 3.81Å; F378-A409 HydrophobicContact CD1-CB 3.97Å; F378-A409 HydrophobicContact CE1-CB 4.15Å; V407-A409 PolarHBondContact O-N 2.97Å
410	K	84.2	Confident	77.8	Confident	100 Å²	100	93.2 Å²	93.2	44%	0.435	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-62.2	131.9	169.5	-69.8	-159.3	172.1	-169.5	0	109.4	V329 E330 P332 L408	V329-K410 VanDerWaalsContact CG1-NZ 3.34Å; E330-K410 PolarHBondContact O-NZ 3.42Å; P332-K410 HydrophobicContact CG-CD 4.36Å; P332-K410 HydrophobicContact CG-CG 4.25Å; L408-K410 PolarHBondContact O-N 2.85Å
411	P	78.6	Confident	77.4	Confident	36 Å²	36	89.8 Å²	89.8	23%	0.234	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-53.8	147.8	171.2	-23.6	30.9	0	0	0	111.6	V336 M337 V340 D413	V336-P411 HydrophobicContact CG1-CB 4.29Å; V336-P411 HydrophobicContact CG1-CG 3.62Å; M337-P411 HydrophobicContact SD-CG 4.4Å; V340-P411 HydrophobicContact CG2-CG 3.88Å; P411-D413 PolarHBondContact O-N 2.92Å
412	P	71.9	Confident	77.1	Confident	121 Å²	121	90 Å²	90	79%	0.786	44%	0.438	S	S	*	.			trans	-70.2	115.2	178.4	27.3	-33.7	0	0	0	111.4	K414	P412-K414 PolarHBondContact O-N 3.48Å
413	D	64.5	Low	76.7	Confident	85 Å²	85	96.5 Å²	96.5	46%	0.455	46%	0.461	S	S	.	.			trans	-62.5	96.4	178.6	-71.8	-49.2	0	0	0	112.6	P411 K415 R416 K417	P411-D413 PolarHBondContact O-N 2.92Å; D413-K415 PolarHBondContact O-N 3.02Å; D413-R416 HydrophobicContact CB-CB 3.57Å; D413-R416 WeakPolarHBondContact O-CB 3.38Å; D413-R416 PolarHBondContact O-N 2.7Å; D413-K417 PolarHBondContact O-N 3.2Å
414	K	65.2	Low	75.9	Confident	185 Å²	185	96.7 Å²	96.7	80%	0.804	46%	0.462	S	S	*	.	H	α-helix	trans	-52.2	-45	173.8	-64.9	-172.9	178.4	-175.9	0	111.5	P412 R416 K417 E418	P412-K414 PolarHBondContact O-N 3.48Å; K414-R416 VanDerWaalsContact C-N 3.29Å; K414-R416 PolarHBondContact O-N 2.74Å; K414-K417 PolarHBondContact O-N 2.82Å; K414-E418 PolarHBondContact O-N 3.09Å
415	K	62.8	Low	74.9	Confident	156 Å²	156	99.6 Å²	99.6	68%	0.678	49%	0.486	S	S	*	.	H	α-helix	trans	-62.5	-29	177.8	-68.6	-176.3	177.8	178.4	0	113.7	D413 R419	D413-K415 PolarHBondContact O-N 3.02Å; K415-R419 VanDerWaalsContact O-CB 3.31Å; K415-R419 WeakPolarHBondContact O-CB 3.42Å; K415-R419 PolarHBondContact O-N 2.76Å
416	R	65.9	Low	74	Confident	176 Å²	176	99.5 Å²	99.5	66%	0.664	50%	0.495	S	S	*	.	H	α-helix	trans	-70.5	-44.1	177.4	-178.7	178.7	170.5	177.4	-0.4	111.1	D413 K414 E418 R419 Q420	D413-R416 HydrophobicContact CB-CB 3.57Å; D413-R416 WeakPolarHBondContact O-CB 3.38Å; D413-R416 PolarHBondContact O-N 2.7Å; K414-R416 VanDerWaalsContact C-N 3.29Å; K414-R416 PolarHBondContact O-N 2.74Å; R416-E418 VanDerWaalsContact C-N 3.34Å; R416-R419 PolarHBondContact O-N 3.15Å; R416-Q420 WeakPolarHBondContact O-CB 3.26Å; R416-Q420 PolarHBondContact O-N 3.46Å
417	K	67	Low	72.8	Confident	170 Å²	170	108.8 Å²	108.8	74%	0.739	53%	0.53	S	S	*	.	H	α-helix	trans	-62	-44.2	176.7	-172	178.5	-180	-177.4	0	111	D413 K414 Q420 A421	D413-K417 PolarHBondContact O-N 3.2Å; K414-K417 PolarHBondContact O-N 2.82Å; K417-Q420 PolarHBondContact O-N 3.14Å; K417-A421 WeakPolarHBondContact O-CB 3.47Å; K417-A421 PolarHBondContact O-N 3.13Å
418	E	69.1	Low	71.2	Confident	134 Å²	134	110.3 Å²	110.3	63%	0.626	54%	0.543	S	S	*	.	H	α-helix	trans	-60	-49.1	175.7	-175.6	177.7	-156.3	0	0	112.5	K414 R416 Q420 A421 A422	K414-E418 PolarHBondContact O-N 3.09Å; R416-E418 VanDerWaalsContact C-N 3.34Å; E418-Q420 VanDerWaalsContact C-N 3.25Å; E418-Q420 PolarHBondContact O-N 3.36Å; E418-A421 PolarHBondContact O-N 3.33Å; E418-A422 WeakPolarHBondContact O-CB 3.21Å; E418-A422 PolarHBondContact O-N 2.67Å
419	R	70.1	Confident	69.6	Low	143 Å²	143	113.7 Å²	113.7	54%	0.54	57%	0.566	S	S	.	*	H	α-helix	trans	-62.9	-29.3	176.9	-168.4	-176	-66.3	159.4	2.3	113	K415 R416 R423	K415-R419 VanDerWaalsContact O-CB 3.31Å; K415-R419 WeakPolarHBondContact O-CB 3.42Å; K415-R419 PolarHBondContact O-N 2.76Å; R416-R419 PolarHBondContact O-N 3.15Å; R419-R423 WeakPolarHBondContact O-CG 2.84Å
420	Q	71.3	Confident	68	Low	111 Å²	111	117.4 Å²	117.4	52%	0.519	60%	0.596	S	S	.	*	H	α-helix	trans	-75.2	-45.3	174	-174.2	169.4	-4.5	0	0	111.6	R416 K417 E418 A422 R423 Q424	R416-Q420 WeakPolarHBondContact O-CB 3.26Å; R416-Q420 PolarHBondContact O-N 3.46Å; K417-Q420 PolarHBondContact O-N 3.14Å; E418-Q420 VanDerWaalsContact C-N 3.25Å; E418-Q420 PolarHBondContact O-N 3.36Å; Q420-A422 PolarHBondContact O-N 2.59Å; Q420-R423 PolarHBondContact O-N 2.95Å; Q420-Q424 PolarHBondContact O-N 3.09Å
421	A	72.3	Confident	66.5	Low	51 Å²	51	120.8 Å²	120.8	42%	0.421	61%	0.607	S	S	.	*	H	α-helix	trans	-61.4	-43.7	177.1	0	0	0	0	0	112.2	K417 E418 R423 Q424 A425	K417-A421 WeakPolarHBondContact O-CB 3.47Å; K417-A421 PolarHBondContact O-N 3.13Å; E418-A421 PolarHBondContact O-N 3.33Å; A421-R423 VanDerWaalsContact C-N 3.29Å; A421-R423 PolarHBondContact O-N 2.98Å; A421-Q424 PolarHBondContact O-N 3.43Å; A421-A425 PolarHBondContact O-N 3.19Å
422	A	74.7	Confident	65.1	Low	61 Å²	61	126.9 Å²	126.9	50%	0.504	63%	0.633	S	S	.	*	H	α-helix	trans	-58	-39.6	177.1	0	0	0	0	0	112.7	E418 Q420 Q424 S426	E418-A422 WeakPolarHBondContact O-CB 3.21Å; E418-A422 PolarHBondContact O-N 2.67Å; Q420-A422 PolarHBondContact O-N 2.59Å; A422-Q424 VanDerWaalsContact C-N 3.34Å; A422-S426 PolarHBondContact O-N 2.85Å; A422-S426 VanDerWaalsContact O-N 3.09Å; A422-S426 PolarHBondContact O-OG 3.12Å
423	R	72.4	Confident	64.2	Low	183 Å²	183	128.3 Å²	128.3	69%	0.691	63%	0.634	S	S	*	*	H	α-helix	trans	-70.4	-26.2	175.8	-73.4	175	172.3	-174.5	-2.8	113.7	R419 Q420 A421 S426	R419-R423 WeakPolarHBondContact O-CG 2.84Å; Q420-R423 PolarHBondContact O-N 2.95Å; A421-R423 VanDerWaalsContact C-N 3.29Å; A421-R423 PolarHBondContact O-N 2.98Å; R423-S426 PolarHBondContact O-OG 3.1Å
424	Q	68.7	Low	63.6	Low	126 Å²	126	134 Å²	134	59%	0.589	65%	0.65	S	S	*	*	H	α-helix	trans	-79.2	-43.9	174.6	-71.1	173	-56.4	0	0	110.7	Q420 A421 A422 S426 R427 S428	Q420-Q424 PolarHBondContact O-N 3.09Å; A421-Q424 PolarHBondContact O-N 3.43Å; A422-Q424 VanDerWaalsContact C-N 3.34Å; Q424-S426 PolarHBondContact O-N 3.37Å; Q424-R427 WeakPolarHBondContact O-CB 2.96Å; Q424-R427 PolarHBondContact O-N 2.86Å; Q424-S428 PolarHBondContact O-N 3.26Å
425	A	69.1	Low	62.5	Low	63 Å²	63	134.5 Å²	134.5	52%	0.521	65%	0.648	S	S	.	*	H	α-helix	trans	-56.1	-48.8	174.5	0	0	0	0	0	111.5	A421 R427 S428 T429	A421-A425 PolarHBondContact O-N 3.19Å; A425-R427 PolarHBondContact O-N 3.31Å; A425-R427 VanDerWaalsContact O-N 3.08Å; A425-S428 PolarHBondContact O-N 3.18Å; A425-S428 VanDerWaalsContact O-N 3.14Å; A425-T429 PolarHBondContact O-OG1 2.98Å
426	S	67.6	Low	61.6	Low	85 Å²	85	136.9 Å²	136.9	59%	0.594	66%	0.655	S	S	*	*	H	α-helix	trans	-65.1	-10.7	177.4	65.2	0	0	0	0	115	A422 R423 Q424	A422-S426 PolarHBondContact O-N 2.85Å; A422-S426 VanDerWaalsContact O-N 3.09Å; A422-S426 PolarHBondContact O-OG 3.12Å; R423-S426 PolarHBondContact O-OG 3.1Å; Q424-S426 PolarHBondContact O-N 3.37Å
427	R	65.7	Low	60.6	Low	200 Å²	200	137.2 Å²	137.2	76%	0.755	66%	0.664	S	S	*	*	H	α-helix	trans	-90.8	-28.7	175.4	-174.9	177.5	175.1	-168	-3.9	112.2	Q424 A425	Q424-R427 WeakPolarHBondContact O-CB 2.96Å; Q424-R427 PolarHBondContact O-N 2.86Å; A425-R427 PolarHBondContact O-N 3.31Å; A425-R427 VanDerWaalsContact O-N 3.08Å
428	S	56.7	Low	59.5	Low	91 Å²	91	134.9 Å²	134.9	64%	0.636	67%	0.665	S	S	*	*	H	α-helix	trans	-75.9	-38.7	-174.7	-156.8	0	0	0	0	112.8	Q424 A425 A430 Y431	Q424-S428 PolarHBondContact O-N 3.26Å; A425-S428 PolarHBondContact O-N 3.18Å; A425-S428 VanDerWaalsContact O-N 3.14Å; S428-A430 PolarHBondContact O-N 3.06Å; S428-Y431 PolarHBondContact O-N 3.06Å
429	T	55.5	Low	58.1	Low	108 Å²	108	133.9 Å²	133.9	66%	0.663	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-22.7	-174.7	-28.1	0	0	0	0	113.5	A425 Y431	A425-T429 PolarHBondContact O-OG1 2.98Å; T429-Y431 VanDerWaalsContact C-N 3.28Å; T429-Y431 PolarHBondContact O-N 3.28Å
430	A	54	Low	56.7	Low	81 Å²	81	132.7 Å²	132.7	67%	0.669	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	2.3	-175.1	0	0	0	0	0	114.8	S428	S428-A430 PolarHBondContact O-N 3.06Å
431	Y	53.1	Low	55.3	Low	170 Å²	170	139 Å²	139	67%	0.667	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-16.2	-172	-143.3	-93.2	0	0	0	115	S428 T429	S428-Y431 PolarHBondContact O-N 3.06Å; T429-Y431 VanDerWaalsContact C-N 3.28Å; T429-Y431 PolarHBondContact O-N 3.28Å
432	E	50.2	Low	54.1	Low	165 Å²	165	144.6 Å²	144.6	77%	0.771	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-46.1	-179.2	-75.6	-74.5	130.3	0	0	113	Y434	E432-Y434 PolarHBondContact O-N 3.41Å
433	D	53.3	Low	52.2	Low	150 Å²	150	146.6 Å²	146.6	80%	0.802	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-63	-17.3	-167.7	-92.4	-27.8	0	0	0	115.3	Y435	D433-Y435 PolarHBondContact O-N 2.96Å
434	Y	51.8	Low	51.2	Low	204 Å²	204	144 Å²	144	80%	0.8	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-88.4	2.6	-166.8	-120.8	-87.5	0	0	0	116.1	E432	E432-Y434 PolarHBondContact O-N 3.41Å
435	Y	40.7	Very low	49.6	Very low	196 Å²	196	143.3 Å²	143.3	77%	0.769	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-108.5	5.8	-171.3	-92.4	-73.3	0	0	0	117	D433	D433-Y435 PolarHBondContact O-N 2.96Å
436	Y	44.2	Very low	47.9	Very low	206 Å²	206	148 Å²	148	81%	0.808	76%	0.756	S	S	*	*	S	Bend	trans	-103.6	12	-170.4	-112.3	-79.8	0	0	0	118.2
437	H	45.6	Very low	46.4	Very low	184 Å²	184	155.5 Å²	155.5	85%	0.852	77%	0.771	S	S	*	*			trans	-126.1	101.2	177.2	-68.6	-22.8	0	0	0	112.7
438	P	42.7	Very low	44.9	Very low	120 Å²	120	149.8 Å²	149.8	78%	0.779	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-76	136.6	-177.1	29.7	-34.1	0	0	0	112.4
439	P	40.6	Very low	43.8	Very low	114 Å²	114	157.6 Å²	157.6	74%	0.74	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-73	150.9	-174.3	28.5	-35.3	0	0	0	113.6
440	P	41.4	Very low	42.8	Very low	117 Å²	117	155.7 Å²	155.7	76%	0.76	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-70	144.7	-174	27.9	-35.1	0	0	0	113.6	M442	P440-M442 PolarHBondContact O-N 3.05Å
441	R	41.7	Very low	41.8	Very low	243 Å²	243	164.4 Å²	164.4	92%	0.917	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-71.1	116.5	177.9	-61	-75.9	-148.5	-106.5	-1.4	110.8
442	M	45.9	Very low	40.9	Very low	169 Å²	169	159.9 Å²	159.9	83%	0.833	81%	0.813	S	S	*	*			trans	-108.9	131.2	166.3	-76.7	-69.4	-178.4	0	0	110.6	P440	P440-M442 PolarHBondContact O-N 3.05Å
443	P	36.5	Very low	40	Very low	104 Å²	104	156.1 Å²	156.1	68%	0.675	82%	0.818	S	S	*	*			trans	-78.5	146.4	179.7	31.9	-34.5	0	0	0	112	P445	P443-P445 WeakPolarHBondContact O-CD 3.39Å
444	P	50.7	Low	39.1	Very low	128 Å²	128	152.1 Å²	152.1	83%	0.831	81%	0.812	S	S	*	*			trans	-82.8	115.8	-168.7	30.9	-34.9	0	0	0	114.1
445	P	34.2	Very low	38.2	Very low	112 Å²	112	154.4 Å²	154.4	73%	0.727	82%	0.819	S	S	*	*			trans	-95.3	125.4	179.9	-1.5	23.5	0	0	0	113	P443	P443-P445 WeakPolarHBondContact O-CD 3.39Å
446	I	33.5	Very low	37.9	Very low	160 Å²	160	148.5 Å²	148.5	82%	0.821	82%	0.818	S	S	*	*			trans	51.9	107.6	139.3	-51.1	177	0	0	0	117.7	G448	I446-G448 PolarHBondContact O-N 2.68Å; I446-G448 VanDerWaalsContact O-N 3.13Å
447	R	35.6	Very low	37.1	Very low	243 Å²	243	142.2 Å²	142.2	92%	0.917	82%	0.815	S	S	*	*			trans	-59.4	109.9	169.6	-70.1	173.6	172.1	147.7	-3.4	112.4	R449	R447-R449 PolarHBondContact O-N 3.05Å; R447-R449 VanDerWaalsContact O-N 3.07Å
448	G	35.7	Very low	36.7	Very low	81 Å²	81	144.1 Å²	144.1	84%	0.835	82%	0.817	S	S	*	*			trans	-62.5	102.8	167.5	0	0	0	0	0	112.1	I446 G450	I446-G448 PolarHBondContact O-N 2.68Å; I446-G448 VanDerWaalsContact O-N 3.13Å; G448-G450 PolarHBondContact O-N 2.97Å
449	R	33.5	Very low	35.9	Very low	255 Å²	255	141.8 Å²	141.8	96%	0.962	81%	0.814	S	S	*	*			trans	-90.5	74	-166.2	-165.3	-175.2	-167	-176.2	5.1	112.5	R447	R447-R449 PolarHBondContact O-N 3.05Å; R447-R449 VanDerWaalsContact O-N 3.07Å
450	G	33.1	Very low	35.7	Very low	67 Å²	67	146.3 Å²	146.3	69%	0.691	82%	0.818	S	S	*	*			trans	-118.7	102.8	-175.2	0	0	0	0	0	115.1	G448 G452	G448-G450 PolarHBondContact O-N 2.97Å; G450-G452 PolarHBondContact O-N 3.22Å
451	R	33.3	Very low	35.3	Very low	265 Å²	265	145 Å²	145	100%	1	81%	0.81	S	S	*	*			trans	-31.4	118.1	177.9	-87.3	173.2	160.9	166.3	-6.2	116.3
452	G	34.5	Very low	35.2	Very low	75 Å²	75	139.3 Å²	139.3	77%	0.773	80%	0.804	S	S	*	*			trans	129.6	121.1	172.2	0	0	0	0	0	110.6	G450	G450-G452 PolarHBondContact O-N 3.22Å
453	G	32.5	Very low	34.8	Very low	85 Å²	85	138.8 Å²	138.8	88%	0.876	80%	0.804	S	S	*	*			cis	110.3	96.9	5.6	0	0	0	0	0	111
454	G	33	Very low	34.6	Very low	66 Å²	66	142.6 Å²	142.6	68%	0.68	81%	0.807	S	S	*	*			cis	174.9	175	-3.9	0	0	0	0	0	112.1
455	R	34.1	Very low	33.8	Very low	253 Å²	253	146 Å²	146	96%	0.955	80%	0.804	S	S	*	*			trans	68.9	129.2	-169.3	-51.3	179.2	179.1	-179.9	-1.4	111.5
456	G	33	Very low	33.7	Very low	72 Å²	72	144.1 Å²	144.1	74%	0.742	81%	0.805	S	S	*	*			cis	87.9	110.5	20.6	0	0	0	0	0	108.9
457	G	27.9	Very low	33.7	Very low	73 Å²	73	147.1 Å²	147.1	75%	0.753	81%	0.808	S	S	*	*			cis	102	99.2	18.3	0	0	0	0	0	109.1
458	Y	37	Very low	33.5	Very low	225 Å²	225	142.9 Å²	142.9	88%	0.882	80%	0.799	S	S	*	*			trans	-142.2	103.6	176.3	-93.4	-80.7	0	0	0	109
459	G	27.2	Very low	33.2	Very low	70 Å²	70	145.5 Å²	145.5	72%	0.722	79%	0.794	S	S	*	*			trans	-121.6	132.1	153.8	0	0	0	0	0	107
460	Y	34.6	Very low	33.3	Very low	209 Å²	209	142.5 Å²	142.5	82%	0.82	78%	0.784	S	S	*	*			trans	-168.9	154.4	-176.9	-115.6	-81.3	0	0	0	107.9
461	P	34.6	Very low	33.1	Very low	91 Å²	91	149 Å²	149	59%	0.591	79%	0.788	S	S	*	*				-114.8	176.2	-68.6	40.5	-31	0	0	0	111.4
462	P	38.9	Very low	32.9	Very low	122 Å²	122	143.5 Å²	143.5	79%	0.792	78%	0.779	S	S	*	*			trans	-92.3	140.5	168.1	35	-31	0	0	0	112.6
463	D	38.2	Very low	32.6	Very low	158 Å²	158	147.3 Å²	147.3	85%	0.845	78%	0.782	S	S	*	*			trans	-105.5	176.6	169.6	-72.6	-48.2	0	0	0	111.8
464	Y	31.8	Very low	32.4	Very low	184 Å²	184	152.2 Å²	152.2	72%	0.722	78%	0.775	S	S	*	*			trans	-143.7	152.4	-142.6	174.9	-123.5	0	0	0	114.3
465	Y	34	Very low	32.4	Very low	199 Å²	199	156.9 Å²	156.9	78%	0.78	77%	0.773	S	S	*	*			trans	80	143.4	-175.4	-62.6	-70.8	0	0	0	118.7
466	G	32.1	Very low	32.1	Very low	73 Å²	73	148.5 Å²	148.5	75%	0.753	77%	0.766	S	S	*	*			trans	170.4	28.9	168.4	0	0	0	0	0	124.2
467	Y	33.5	Very low	32	Very low	223 Å²	223	153 Å²	153	88%	0.875	76%	0.761	S	S	*	*			trans	68.8	175	163.2	-98.1	-85.3	0	0	0	121.3
468	E	30.9	Very low	32.1	Very low	155 Å²	155	156.2 Å²	156.2	72%	0.724	76%	0.761	S	S	*	*			trans	-106.4	153.5	-147.9	-58.1	165.1	125.1	0	0	116.3
469	D	30.8	Very low	31.6	Very low	136 Å²	136	154.2 Å²	154.2	73%	0.727	75%	0.754	S	S	*	*			trans	81	145.6	137.9	-105	-41.9	0	0	0	125.6
470	Y	33.6	Very low	31.6	Very low	192 Å²	192	158 Å²	158	75%	0.753	75%	0.752	S	S	*	*			trans	67.3	84.6	167.2	-92.6	-100.2	0	0	0	122.3
471	Y	29.7	Very low	31.4	Very low	202 Å²	202	154.7 Å²	154.7	79%	0.792	75%	0.749	S	S	*	*			trans	40.2	106.1	131.3	-76.3	-92.4	0	0	0	119.5
472	D	29.5	Very low	31.5	Very low	151 Å²	151	161.1 Å²	161.1	81%	0.807	76%	0.763	S	S	*	*				-160.9	-174.9	82.3	-143.5	-43.9	0	0	0	110
473	D	28.9	Very low	31.3	Very low	154 Å²	154	167 Å²	167	82%	0.824	77%	0.769	S	S	*	*			trans	56.4	83.8	173	-92.6	-45.4	0	0	0	116.9
474	Y	26.6	Very low	31	Very low	189 Å²	189	162.2 Å²	162.2	74%	0.741	76%	0.758	S	S	*	*			trans	-132.8	110	158.7	-155.3	-98.3	0	0	0	112.3
475	Y	33.2	Very low	30.8	Very low	164 Å²	164	157 Å²	157	64%	0.643	76%	0.76	S	S	*	*				174.5	74.4	128.4	-95.5	-61.9	0	0	0	110.9	Y477	Y475-Y477 AromaticContact CD1-CD2 3.48Å; Y475-Y477 HydrophobicContact CD1-CD2 3.48Å; Y475-Y477 VanDerWaalsContact CD1-CD2 3.48Å; Y475-Y477 AromaticContact CD1-CE2 3.29Å; Y475-Y477 HydrophobicContact CD1-CE2 3.29Å; Y475-Y477 AromaticContact CE1-CD2 3.99Å; Y475-Y477 HydrophobicContact CE1-CD2 3.99Å; Y475-Y477 AromaticContact CE1-CE2 3.29Å; Y475-Y477 HydrophobicContact CE1-CE2 3.29Å; Y475-Y477 AromaticContact CE1-CZ 3.92Å; Y475-Y477 HydrophobicContact CG-CD2 4.28Å; Y475-Y477 HydrophobicContact CG-CE2 4.27Å; Y475-Y477 PolarHBondContact O-N 2.91Å
476	G	28.1	Very low	30.9	Very low	77 Å²	77	158.5 Å²	158.5	79%	0.794	77%	0.766	S	S	*	*			trans	-74.3	112.6	149.8	0	0	0	0	0	108.2
477	Y	30.4	Very low	31.1	Very low	165 Å²	165	163.9 Å²	163.9	65%	0.647	77%	0.771	S	S	*	*			trans	-100.2	119.8	173.4	-112.1	-71.5	0	0	0	109.7	Y475	Y475-Y477 AromaticContact CD1-CD2 3.48Å; Y475-Y477 HydrophobicContact CD1-CD2 3.48Å; Y475-Y477 VanDerWaalsContact CD1-CD2 3.48Å; Y475-Y477 AromaticContact CD1-CE2 3.29Å; Y475-Y477 HydrophobicContact CD1-CE2 3.29Å; Y475-Y477 AromaticContact CE1-CD2 3.99Å; Y475-Y477 HydrophobicContact CE1-CD2 3.99Å; Y475-Y477 AromaticContact CE1-CE2 3.29Å; Y475-Y477 HydrophobicContact CE1-CE2 3.29Å; Y475-Y477 AromaticContact CE1-CZ 3.92Å; Y475-Y477 HydrophobicContact CG-CD2 4.28Å; Y475-Y477 HydrophobicContact CG-CE2 4.27Å; Y475-Y477 PolarHBondContact O-N 2.91Å
478	D	29.7	Very low	31.3	Very low	141 Å²	141	160.1 Å²	160.1	75%	0.754	77%	0.767	S	S	*	*			trans	-102.4	170.4	179	-138.5	-37.4	0	0	0	112.4
479	Y	26.9	Very low	31.9	Very low	184 Å²	184	157.9 Å²	157.9	72%	0.722	77%	0.765	S	S	*	*			trans	-24.9	137.3	-169.7	-88	-151.4	0	0	0	122.6
480	H	28.6	Very low	32.1	Very low	150 Å²	150	160.8 Å²	160.8	69%	0.694	77%	0.767	S	S	*	*			trans	91.2	147.3	135.1	-70.3	-21.6	0	0	0	123.2
481	D	30.4	Very low	32.2	Very low	139 Å²	139	162.4 Å²	162.4	74%	0.743	77%	0.774	S	S	*	*			trans	43.3	103.3	160.3	-68.5	-55.6	0	0	0	121.2
482	Y	36.2	Very low	32.3	Very low	226 Å²	226	156.2 Å²	156.2	89%	0.886	77%	0.772	S	S	*	*			trans	-124.7	108.6	144	-137.5	-99.6	0	0	0	110.6
483	R	33.6	Very low	32.5	Very low	244 Å²	244	155.4 Å²	155.4	92%	0.921	76%	0.758	S	S	*	*			trans	-129.2	90	178.8	-176.8	-176.3	176.1	-115	-3.9	110.1
484	G	32.9	Very low	32.7	Very low	59 Å²	59	155.5 Å²	155.5	61%	0.608	76%	0.759	S	S	*	*			trans	160.2	149.3	176.6	0	0	0	0	0	109.6
485	G	28.1	Very low	33	Very low	75 Å²	75	151.8 Å²	151.8	77%	0.773	75%	0.752	S	S	*	*			cis	155.4	84.1	-1.1	0	0	0	0	0	110.4
486	Y	35.5	Very low	32.8	Very low	229 Å²	229	146.7 Å²	146.7	90%	0.898	75%	0.749	S	S	*	*			trans	-135.8	133.9	172.1	-113.7	-97.4	0	0	0	108.6
487	E	35.6	Very low	32.8	Very low	186 Å²	186	150.3 Å²	150.3	87%	0.869	74%	0.74	S	S	*	*			trans	-135.8	113.8	-169.3	-175.5	169.1	-140.2	0	0	107.2
488	D	37.4	Very low	32.8	Very low	145 Å²	145	146 Å²	146	78%	0.775	74%	0.738	S	S	*	*			trans	-111.7	115.6	-175.8	-163.9	-39.7	0	0	0	109.6	Y490	D488-Y490 PolarHBondContact O-N 3.41Å
489	P	43.6	Very low	33.4	Very low	108 Å²	108	141.5 Å²	141.5	70%	0.701	72%	0.716	S	S	*	*			trans	-102.5	38.1	-150.1	40.7	-40.1	0	0	0	115.8
490	Y	36.1	Very low	33.7	Very low	196 Å²	196	142.3 Å²	142.3	77%	0.769	72%	0.717	S	S	*	*	S	Bend	trans	-111.3	-17.9	-174.3	-98.2	-77.2	0	0	0	119.1	D488	D488-Y490 PolarHBondContact O-N 3.41Å
491	Y	35.8	Very low	33.9	Very low	226 Å²	226	137 Å²	137	89%	0.886	70%	0.703	S	S	*	*	S	Bend	trans	-144.1	88.8	166.5	-88	-74.2	0	0	0	111.2	Y493	Y491-Y493 PolarHBondContact O-N 3.22Å
492	G	31.9	Very low	34.4	Very low	73 Å²	73	139.5 Å²	139.5	75%	0.753	70%	0.702	S	S	*	*			trans	-59.7	130.6	170.6	0	0	0	0	0	111
493	Y	32.3	Very low	34.2	Very low	133 Å²	133	132 Å²	132	52%	0.522	69%	0.694	S	S	.	*			trans	-97.4	133.3	144.7	-111.9	-122.4	0	0	0	107.5	K114 Y491 D495	K114-Y493 HydrophobicContact CD-CE1 4.07Å; K114-Y493 HydrophobicContact CD-CE2 3.86Å; K114-Y493 WeakPolarHBondContact CD-OH 3.43Å; K114-Y493 VanDerWaalsContact CE-CE2 3.43Å; Y491-Y493 PolarHBondContact O-N 3.22Å; Y493-D495 PolarHBondContact O-N 3.04Å
494	D	34.3	Very low	34.2	Very low	156 Å²	156	124.2 Å²	124.2	83%	0.834	69%	0.689	S	S	*	*			trans	-64.9	90.5	171.5	-171.4	-91.6	0	0	0	107.1	G496	D494-G496 PolarHBondContact O-N 3.06Å
495	D	32.2	Very low	34.4	Very low	112 Å²	112	124.8 Å²	124.8	60%	0.599	70%	0.695	S	S	*	*			trans	-77.3	72.6	174.8	-160.7	-13.9	0	0	0	107.4	Y493 Y497	Y493-D495 PolarHBondContact O-N 3.04Å; D495-Y497 HydrophobicContact CB-CD1 3.87Å; D495-Y497 HydrophobicContact CB-CE1 3.78Å; D495-Y497 WeakPolarHBondContact O-CD1 3.29Å; D495-Y497 WeakPolarHBondContact O-CD2 3.19Å; D495-Y497 WeakPolarHBondContact O-CE1 3.41Å; D495-Y497 VanDerWaalsContact O-CG 3.28Å; D495-Y497 PolarHBondContact O-N 2.86Å; D495-Y497 VanDerWaalsContact OD1-CD1 3.23Å; D495-Y497 WeakPolarHBondContact OD1-CD1 3.41Å
496	G	29.3	Very low	34.9	Very low	56 Å²	56	133.4 Å²	133.4	58%	0.577	71%	0.705	S	S	*	*			trans	-66.5	58.8	173.5	0	0	0	0	0	110.9	D494 A498	D494-G496 PolarHBondContact O-N 3.06Å; G496-A498 PolarHBondContact O-N 2.82Å
497	Y	28.6	Very low	34.9	Very low	154 Å²	154	126.2 Å²	126.2	60%	0.604	70%	0.7	S	S	*	*			trans	-68.3	70.5	173.2	35.8	-124.6	0	0	0	110.8	D495 V499	D495-Y497 HydrophobicContact CB-CD1 3.87Å; D495-Y497 HydrophobicContact CB-CE1 3.78Å; D495-Y497 WeakPolarHBondContact O-CD1 3.29Å; D495-Y497 WeakPolarHBondContact O-CD2 3.19Å; D495-Y497 WeakPolarHBondContact O-CE1 3.41Å; D495-Y497 VanDerWaalsContact O-CG 3.28Å; D495-Y497 PolarHBondContact O-N 2.86Å; D495-Y497 VanDerWaalsContact OD1-CD1 3.23Å; D495-Y497 WeakPolarHBondContact OD1-CD1 3.41Å; Y497-V499 WeakPolarHBondContact O-CG2 3.47Å; Y497-V499 PolarHBondContact O-N 2.86Å
498	A	30.5	Very low	34.9	Very low	74 Å²	74	120.8 Å²	120.8	61%	0.612	69%	0.694	S	S	*	*			trans	-63	82.3	163.3	0	0	0	0	0	109.2	G496 R500	G496-A498 PolarHBondContact O-N 2.82Å; A498-R500 VanDerWaalsContact C-N 3.32Å; A498-R500 PolarHBondContact O-N 3.39Å
499	V	41	Very low	34.7	Very low	47 Å²	47	126.4 Å²	126.4	29%	0.285	70%	0.704	S	S	.	*			trans	-61.1	90.6	172.5	170.9	0	0	0	0	107.9	Y497 P522 P523 R524	Y497-V499 WeakPolarHBondContact O-CG2 3.47Å; Y497-V499 PolarHBondContact O-N 2.86Å; V499-P522 WeakPolarHBondContact O-CB 3.39Å; V499-P523 CarbonylContact C-O 3.59Å; V499-P523 WeakPolarHBondContact CA-O 3.32Å; V499-P523 WeakPolarHBondContact CG1-O 3.47Å; V499-P523 VanDerWaalsContact O-O 3.06Å; V499-R524 HydrophobicContact CG1-CG 4.32Å
500	R	32.9	Very low	34.2	Very low	200 Å²	200	124.5 Å²	124.5	76%	0.755	70%	0.704	S	S	*	*			trans	-132.4	143.6	165.3	-58.7	177.8	-176.9	167.7	1.5	110.6	A498 P523 R524	A498-R500 VanDerWaalsContact C-N 3.32Å; A498-R500 PolarHBondContact O-N 3.39Å; R500-P523 CarbonylContact C-O 3.56Å; R500-P523 WeakPolarHBondContact CA-O 3.47Å; R500-P523 PolarHBondContact N-O 3.36Å; R500-R524 WeakPolarHBondContact O-CA 3.48Å
501	G	33.3	Very low	34	Very low	39 Å²	39	119.9 Å²	119.9	40%	0.402	71%	0.706	S	S	.	*			cis	117.9	119.5	-3.9	0	0	0	0	0	113.4	P523 R524	G501-P523 PolarHBondContact N-O 3.24Å; G501-R524 PolarHBondContact N-O 3.06Å
502	R	41.5	Very low	34.2	Very low	191 Å²	191	114.7 Å²	114.7	72%	0.721	70%	0.7	S	S	*	*			cis	64.5	99.3	-3.7	-174.4	-168.2	164.5	-166.5	-9.1	117.2	P523 R524 G525	R502-P523 WeakPolarHBondContact O-CB 3.15Å; R502-P523 WeakPolarHBondContact O-CG 3.46Å; R502-R524 WeakPolarHBondContact CB-O 3.34Å; R502-R524 WeakPolarHBondContact CD-O 3.08Å; R502-G525 PolarHBondContact NH1-O 3.33Å
503	G	31.7	Very low	34.6	Very low	68 Å²	68	116.9 Å²	116.9	70%	0.701	70%	0.701	S	S	*	*			cis	-71.9	-178.7	-13.8	0	0	0	0	0	112.3
504	G	34.5	Very low	35	Very low	81 Å²	81	116.1 Å²	116.1	84%	0.835	71%	0.713	S	S	*	*			cis	174.5	154.6	-2.7	0	0	0	0	0	110.5
505	G	36.1	Very low	35.2	Very low	71 Å²	71	114.8 Å²	114.8	73%	0.732	71%	0.713	S	S	*	*			trans	87.1	142.2	-171	0	0	0	0	0	112.4
506	R	38.9	Very low	35.4	Very low	257 Å²	257	121.5 Å²	121.5	97%	0.97	73%	0.73	S	S	*	*			cis	86.9	144.9	34.2	-71.6	-174.4	170.4	-174.8	-2.2	113.9
507	G	35	Very low	36.1	Very low	77 Å²	77	122.3 Å²	122.3	79%	0.794	74%	0.738	S	S	*	*			trans	106.6	121.1	-164.3	0	0	0	0	0	108.6
508	G	37.1	Very low	36.8	Very low	72 Å²	72	127.7 Å²	127.7	74%	0.742	76%	0.757	S	S	*	*			cis	90.9	132.2	8.8	0	0	0	0	0	111.7	G510	G508-G510 PolarHBondContact O-N 2.82Å
509	R	32.8	Very low	37	Very low	263 Å²	263	128.3 Å²	128.3	99%	0.992	77%	0.77	S	S	*	*	S	Bend	trans	-46.7	130	170.7	-66.1	168	168.2	168.4	-6.3	110.7
510	G	32.1	Very low	36.6	Very low	68 Å²	68	131.2 Å²	131.2	70%	0.701	80%	0.799	S	S	*	*			trans	139.6	114.6	174.6	0	0	0	0	0	111.7	G508	G508-G510 PolarHBondContact O-N 2.82Å
511	A	33.2	Very low	36.6	Very low	99 Å²	99	127.9 Å²	127.9	82%	0.818	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-72.7	131.9	175.9	0	0	0	0	0	110.6
512	P	39.9	Very low	35.9	Very low	117 Å²	117	130.4 Å²	130.4	76%	0.76	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-70.7	153.1	165.3	30.8	-33.2	0	0	0	110.6
513	P	39.6	Very low	35	Very low	119 Å²	119	124 Å²	124	77%	0.773	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-75.3	162.5	-168.6	29.4	-36.3	0	0	0	115.1
514	P	40.1	Very low	34.8	Very low	117 Å²	117	128 Å²	128	76%	0.76	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-65	164.5	178.5	26.8	-36.3	0	0	0	114.5
515	P	39.3	Very low	34.7	Very low	128 Å²	128	126.6 Å²	126.6	83%	0.831	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-68.2	138.9	-168	25.3	-36.2	0	0	0	116.1
516	R	36	Very low	34.3	Very low	254 Å²	254	134.8 Å²	134.8	96%	0.958	79%	0.785	S	S	*	*			trans	-137	132.7	150	-65.9	-177.4	174.7	170	-2	106.4
517	G	44.6	Very low	34	Very low	73 Å²	73	126.5 Å²	126.5	75%	0.753	77%	0.772	S	S	*	*			trans	-108.4	174.9	-155.1	0	0	0	0	0	119.2
518	R	42	Very low	34	Very low	267 Å²	267	124.7 Å²	124.7	100%	1.008	75%	0.753	S	S	*	*			trans	129.6	61.1	163.2	-66.6	170.8	174.2	-178.2	-2.3	118.2
519	G	35.4	Very low	34.1	Very low	86 Å²	86	127.5 Å²	127.5	89%	0.887	74%	0.742	S	S	*	*			trans	103.7	124.3	148.3	0	0	0	0	0	125.5
520	A	33	Very low	34.1	Very low	108 Å²	108	118.1 Å²	118.1	89%	0.893	72%	0.716	S	S	*	*			trans	-168	0	175	0	0	0	0	0	121.6
521	P	32.2	Very low	34.7	Very low	130 Å²	130	116.7 Å²	116.7	84%	0.844	69%	0.692	S	S	*	*				0	0	0	41.1	-20.7	0	0	0	122.7
522	P	18.3	Very low	35	Very low	93 Å²	93	114.7 Å²	114.7	60%	0.604	66%	0.663	S	S	*	*				0	0	0	47.2	-30	0	0	0	124.9	V499	V499-P522 WeakPolarHBondContact O-CB 3.39Å
523	P	23.5	Very low	34.5	Very low	55 Å²	55	110.8 Å²	110.8	36%	0.357	64%	0.644	S	S	.	*				0	-155.4	0	30.3	-6.1	0	0	0	123.4	V499 R500 G501 R502	V499-P523 CarbonylContact C-O 3.59Å; V499-P523 WeakPolarHBondContact CA-O 3.32Å; V499-P523 WeakPolarHBondContact CG1-O 3.47Å; V499-P523 VanDerWaalsContact O-O 3.06Å; R500-P523 CarbonylContact C-O 3.56Å; R500-P523 WeakPolarHBondContact CA-O 3.47Å; R500-P523 PolarHBondContact N-O 3.36Å; G501-P523 PolarHBondContact N-O 3.24Å; R502-P523 WeakPolarHBondContact O-CB 3.15Å; R502-P523 WeakPolarHBondContact O-CG 3.46Å
524	R	27.9	Very low	34.9	Very low	152 Å²	152	106.9 Å²	106.9	57%	0.574	62%	0.621	S	S	*	*			trans	-146	-158.9	-170.3	-115.5	170.8	-179.9	172.7	-0.6	124.9	V499 R500 G501 R502	V499-R524 HydrophobicContact CG1-CG 4.32Å; R500-R524 WeakPolarHBondContact O-CA 3.48Å; G501-R524 PolarHBondContact N-O 3.06Å; R502-R524 WeakPolarHBondContact CB-O 3.34Å; R502-R524 WeakPolarHBondContact CD-O 3.08Å
525	G	30.8	Very low	34.8	Very low	53 Å²	53	104.3 Å²	104.3	55%	0.546	61%	0.605	S	S	.	*			trans	-91.4	0	-156.5	0	0	0	0	0	124.6	R502	R502-G525 PolarHBondContact NH1-O 3.33Å
526	R	27.9	Very low	35.2	Very low	242 Å²	242	103.5 Å²	103.5	91%	0.913	59%	0.593	S	S	*	*				0	0	0	179.8	-98.5	164.5	88.4	1.4	116.2
527	A	34.3	Very low	35.4	Very low	84 Å²	84	92.3 Å²	92.3	69%	0.694	56%	0.557	S	S	*	*				0	0	0	0	0	0	0	0	122.5
528	G	33.3	Very low	35.1	Very low	39 Å²	39	93.2 Å²	93.2	40%	0.402	55%	0.549	S	S	.	.				0	0	0	0	0	0	0	0	126.8	R307	R307-G528 WeakPolarHBondContact CG-O 3.47Å
529	Y	40.7	Very low	35.2	Very low	130 Å²	130	82.9 Å²	82.9	51%	0.51	52%	0.517	S	S	.	.				0	165.4	0	-131.2	-91.9	0	0	0	126.1	A303 R307	A303-Y529 HydrophobicContact CB-CD1 3.32Å; A303-Y529 HydrophobicContact CB-CE1 3.3Å; R307-Y529 VanDerWaalsContact CB-O 3.24Å; R307-Y529 WeakPolarHBondContact CB-O 3.33Å; R307-Y529 WeakPolarHBondContact CD-O 3.3Å; R307-Y529 VanDerWaalsContact CG-O 3.3Å; R307-Y529 WeakPolarHBondContact CG-O 3.47Å; R307-Y529 VanDerWaalsContact CZ-O 3.29Å; R307-Y529 PolarHBondContact NE-O 2.87Å; R307-Y529 PolarHBondContact NH1-O 3.49Å
530	S	32.1	Very low	35	Very low	66 Å²	66	85.9 Å²	85.9	46%	0.462	50%	0.501	S	S	.	.			trans	-141.6	-172.3	-166.3	-55.4	0	0	0	0	120.3	K300 A303 Q304	K300-S530 CarbonylContact O-C 3.53Å; A303-S530 CarbonylContact C-O 3.53Å; A303-S530 WeakPolarHBondContact CB-O 3.4Å; Q304-S530 VanDerWaalsContact CA-O 3.29Å; Q304-S530 WeakPolarHBondContact CA-O 3.48Å; Q304-S530 WeakPolarHBondContact CB-O 3.41Å; Q304-S530 PolarHBondContact N-O 3.28Å
531	Q	43.8	Very low	35	Very low	38 Å²	38	83 Å²	83	18%	0.178	48%	0.481	C	S	.	.			trans	-132	142.5	-148.8	-173.9	63.8	-21.5	0	0	124.9	E271 K300 S301 Q304	E271-Q531 PolarHBondContact OE2-NE2 2.76Å; K300-Q531 WeakPolarHBondContact CD-O 3.32Å; K300-Q531 WeakPolarHBondContact CE-O 3.37Å; K300-Q531 WeakPolarHBondContact CG-O 3.37Å; K300-Q531 PolarHBondContact NZ-O 3.39Å; K300-Q531 CarbonylContact O-C 3.48Å; K300-Q531 WeakPolarHBondContact O-CA 3.46Å; K300-Q531 PolarHBondContact O-N 2.93Å; S301-Q531 VanDerWaalsContact CA-OE1 3.26Å; S301-Q531 PolarHBondContact OG-OE1 3.11Å; Q304-Q531 HydrophobicContact CB-CB 3.76Å; Q304-Q531 HydrophobicContact CB-CG 4.29Å; Q304-Q531 HydrophobicContact CG-CB 4.19Å
532	R	39.6	Very low	35	Very low	58 Å²	58	82.4 Å²	82.4	22%	0.219	48%	0.48	C	S	.	.			trans	56.3	134	162.4	-152.6	110.4	-81.1	158.6	-0.2	129.5	E271 G272 E297 D298 K300 S301	E271-R532 VanDerWaalsContact C-NH1 3.29Å; E271-R532 PolarHBondContact O-NH1 3.29Å; E271-R532 PolarHBondContact O-NH2 2.9Å; G272-R532 VanDerWaalsContact CA-NH1 3.26Å; G272-R532 PolarHBondContact O-NH2 3.2Å; E297-R532 VanDerWaalsContact CD-CZ 3.42Å; E297-R532 WeakPolarHBondContact OE1-CD 3.39Å; E297-R532 IonicContact OE1-CZ 2.67Å; E297-R532 IonicContact OE1-NE 3.55Å; E297-R532 PolarHBondContact OE1-NE 3.27Å; E297-R532 VanDerWaalsContact OE1-NE 3.12Å; E297-R532 IonicContact OE1-NH1 2.72Å; E297-R532 PolarHBondContact OE1-NH1 2.89Å; E297-R532 IonicContact OE1-NH2 2.66Å; E297-R532 PolarHBondContact OE1-NH2 2.89Å; D298-R532 WeakPolarHBondContact OD1-CA 3.4Å; D298-R532 WeakPolarHBondContact OD2-CD 3.42Å; D298-R532 WeakPolarHBondContact OD2-CG 3.46Å; D298-R532 IonicContact OD2-CZ 2.84Å; D298-R532 IonicContact OD2-NE 2.9Å; D298-R532 PolarHBondContact OD2-NE 2.88Å; D298-R532 IonicContact OD2-NH2 3.3Å; K300-R532 VanDerWaalsContact CD-O 3.3Å; K300-R532 WeakPolarHBondContact CD-O 3.46Å; K300-R532 PolarHBondContact NZ-O 3.48Å; K300-R532 PolarHBondContact O-N 3.05Å; S301-R532 VanDerWaalsContact CB-NE 3.25Å; S301-R532 VanDerWaalsContact N-N 3.18Å; S301-R532 WeakPolarHBondContact OG-CA 3.24Å; S301-R532 WeakPolarHBondContact OG-CB 3.21Å; S301-R532 WeakPolarHBondContact OG-CD 3.48Å; S301-R532 PolarHBondContact OG-N 3.17Å; S301-R532 PolarHBondContact OG-NE 2.77Å; S301-R532 PolarHBondContact OG-NH2 3.41Å
533	G	30.2	Very low	35.8	Very low	35 Å²	35	86.6 Å²	86.6	36%	0.361	48%	0.484	S	S	.	.			trans	161.3	123.7	152	0	0	0	0	0	120.7	D298	D298-G533 VanDerWaalsContact CB-O 3.31Å; D298-G533 WeakPolarHBondContact CB-O 3.42Å; D298-G533 PolarHBondContact OD1-N 2.87Å; D298-G533 PolarHBondContact OD2-N 2.73Å
534	A	48.9	Very low	36.1	Very low	36 Å²	36	87.8 Å²	87.8	30%	0.298	51%	0.507	S	S	.	.			trans	-169.9	-164.6	170.5	0	0	0	0	0	111.3	Q160 D298	Q160-A534 VanDerWaalsContact CD-CA 3.45Å; Q160-A534 PolarHBondContact OE1-O 2.84Å; D298-A534 HydrophobicContact CB-CB 3.66Å
535	P	36.8	Very low	36.2	Very low	64 Å²	64	84 Å²	84	42%	0.416	52%	0.515	S	S	.	.			cis	-137.6	164.4	-25.2	40.4	-22.8	0	0	0	118.1	Q160 P161	Q160-P535 CarbonylContact O-C 3.51Å; P161-P535 WeakPolarHBondContact O-CA 3.33Å
536	L	48.4	Very low	36.4	Very low	111 Å²	111	89.6 Å²	89.6	58%	0.581	52%	0.519	S	S	*	.			trans	123.8	125.3	159.8	-68.1	162.4	0	0	0	122.1	V159 Q160 P161	V159-L536 HydrophobicContact CG2-CB 3.84Å; V159-L536 HydrophobicContact CG2-CD1 4.16Å; Q160-L536 CarbonylContact O-C 3.59Å; Q160-L536 WeakPolarHBondContact O-CA 3.42Å; Q160-L536 PolarHBondContact O-N 2.75Å; P161-L536 WeakPolarHBondContact CA-O 3.46Å; P161-L536 PolarHBondContact O-N 2.73Å
537	G	40	Very low	36.4	Very low	19 Å²	19	82.2 Å²	82.2	20%	0.196	52%	0.519	C	S	.	.			trans	163.3	117.6	158.7	0	0	0	0	0	121.3	T165 G215 K216	T165-G537 WeakPolarHBondContact CG2-O 3.31Å; G215-G537 CarbonylContact C-O 3.59Å; G215-G537 WeakPolarHBondContact CA-O 3.45Å; K216-G537 PolarHBondContact N-O 3.45Å
538	P	38.9	Very low	35.9	Very low	91 Å²	91	81.3 Å²	81.3	59%	0.591	52%	0.518	S	S	*	.			trans	-46.9	-176.8	137.8	33.1	-7.9	0	0	0	118.6	G215 K216	G215-P538 WeakPolarHBondContact CA-O 3.07Å; K216-P538 HydrophobicContact CB-CB 3.91Å; K216-P538 HydrophobicContact CB-CG 4Å
539	P	43	Very low	35.8	Very low	50 Å²	50	84.3 Å²	84.3	33%	0.325	53%	0.53	S	S	.	.			trans	-150.7	-157.4	-144.3	46.5	-23.5	0	0	0	117.6	E217 G541	E217-P539 HydrophobicContact CB-CB 3.58Å; E217-P539 HydrophobicContact CB-CG 3.4Å; E217-P539 HydrophobicContact CG-CB 4.19Å; E217-P539 HydrophobicContact CG-CG 3.44Å; E217-P539 VanDerWaalsContact CG-CG 3.44Å; E217-P539 VanDerWaalsContact N-CB 3.31Å; E217-P539 WeakPolarHBondContact OE1-CG 3.42Å; P539-G541 VanDerWaalsContact C-N 3.32Å; P539-G541 PolarHBondContact O-N 3.39Å
540	R	32	Very low	35.2	Very low	150 Å²	150	82.9 Å²	82.9	57%	0.566	55%	0.545	S	S	*	.			trans	52	38.5	171.4	-76.8	-163	172.5	125.8	4.6	116.3	E217 E221	E217-R540 HydrophobicContact CB-CG 4.23Å; E217-R540 WeakPolarHBondContact OE2-CD 3.29Å; E217-R540 IonicContact OE2-CZ 3.22Å; E217-R540 VanDerWaalsContact OE2-CZ 3.31Å; E217-R540 IonicContact OE2-NE 2.98Å; E217-R540 IonicContact OE2-NH1 3.31Å; E217-R540 PolarHBondContact OE2-NH1 2.67Å; E221-R540 IonicContact OE2-CZ 2.96Å; E221-R540 VanDerWaalsContact OE2-CZ 3.29Å; E221-R540 IonicContact OE2-NE 2.79Å; E221-R540 PolarHBondContact OE2-NE 3.38Å; E221-R540 IonicContact OE2-NH2 2.78Å; E221-R540 PolarHBondContact OE2-NH2 2.64Å
541	G	33.1	Very low	35.2	Very low	46 Å²	46	87.8 Å²	87.8	47%	0.474	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-61.9	145.5	147.2	0	0	0	0	0	111.1	P539	P539-G541 VanDerWaalsContact C-N 3.32Å; P539-G541 PolarHBondContact O-N 3.39Å
542	S	32.4	Very low	34.5	Very low	118 Å²	118	94.8 Å²	94.8	83%	0.825	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-54.2	147.7	-172.1	-54.6	0	0	0	0	115.7
543	R	33.8	Very low	34.1	Very low	182 Å²	182	99 Å²	99	69%	0.687	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-55.6	148.2	157.3	-67.9	174.3	173.6	163.4	-0	111.3
544	G	30.8	Very low	34	Very low	80 Å²	80	108.3 Å²	108.3	83%	0.825	64%	0.64	S	S	*	*			trans	65.7	124.2	142	0	0	0	0	0	118.1
545	G	30.1	Very low	33	Very low	72 Å²	72	110.3 Å²	110.3	74%	0.742	66%	0.663	S	S	*	*			cis	116.1	140.9	2.2	0	0	0	0	0	113.2
546	R	34.8	Very low	33	Very low	171 Å²	171	119.4 Å²	119.4	65%	0.645	69%	0.69	S	S	*	*			trans	70.6	119.2	176.9	-54.9	-177.9	178.4	-140.6	-4.4	116.9	R133	R133-R546 HydrophobicContact CG-CG 4.3Å
547	G	28.3	Very low	32.1	Very low	87 Å²	87	117.4 Å²	117.4	90%	0.897	70%	0.695	S	S	*	*			trans	148.7	84.8	162.8	0	0	0	0	0	112.6
548	G	23.5	Very low	31.8	Very low	65 Å²	65	122 Å²	122	67%	0.67	73%	0.725	S	S	*	*			cis	171.2	175.3	-0.8	0	0	0	0	0	110.3	A550	G548-A550 PolarHBondContact O-N 3.12Å
549	P	30.6	Very low	31.6	Very low	102 Å²	102	130.1 Å²	130.1	66%	0.662	74%	0.744	S	S	*	*			trans	-80.3	113.7	176.8	31.3	-31.9	0	0	0	110.9
550	A	29.3	Very low	31	Very low	100 Å²	100	131.4 Å²	131.4	83%	0.826	77%	0.766	S	S	*	*			trans	-155.8	134.1	160.8	0	0	0	0	0	112.5	G548	G548-A550 PolarHBondContact O-N 3.12Å
551	Q	30.2	Very low	30.9	Very low	168 Å²	168	129.8 Å²	129.8	79%	0.785	78%	0.778	S	S	*	*			trans	-56.5	158.4	174	-173.6	-178.5	7.5	0	0	113.8	Q553	Q551-Q553 PolarHBondContact O-N 3.23Å; Q551-Q553 VanDerWaalsContact O-N 3.12Å
552	Q	29.8	Very low	31	Very low	185 Å²	185	140 Å²	140	86%	0.864	80%	0.802	S	S	*	*			trans	-57.7	110.3	162.8	-64.8	174	-4.1	0	0	111.3
553	Q	31.8	Very low	31	Very low	146 Å²	146	137.7 Å²	137.7	68%	0.682	80%	0.797	S	S	*	*			trans	-159.6	130.1	151.2	-117.3	-177.6	83.9	0	0	114.1	Q551	Q551-Q553 PolarHBondContact O-N 3.23Å; Q551-Q553 VanDerWaalsContact O-N 3.12Å
554	R	27.5	Very low	30.8	Very low	232 Å²	232	136.4 Å²	136.4	88%	0.875	80%	0.804	S	S	*	*			trans	30.8	92.3	148.6	-63.1	173.2	176	177.1	-2.5	117.6
555	G	29.2	Very low	31	Very low	77 Å²	77	144 Å²	144	79%	0.794	81%	0.808	S	S	*	*			trans	-81.2	172.8	173.2	0	0	0	0	0	115.7
556	R	35.1	Very low	30.9	Very low	256 Å²	256	144.5 Å²	144.5	97%	0.966	81%	0.812	S	S	*	*			trans	-165.4	136.3	170.4	-107.5	176.9	-179.9	-170.9	-0.1	111.9
557	G	31	Very low	30.9	Very low	68 Å²	68	140.1 Å²	140.1	70%	0.701	82%	0.82	S	S	*	*			trans	77.5	132.4	170.3	0	0	0	0	0	114.2
558	S	32.5	Very low	31	Very low	117 Å²	117	143.9 Å²	143.9	82%	0.818	82%	0.82	S	S	*	*			cis	78.4	132.2	24.4	-47.3	0	0	0	0	115.7
559	R	35.3	Very low	31.4	Very low	261 Å²	261	147.2 Å²	147.2	99%	0.985	83%	0.827	S	S	*	*			trans	86.1	137.1	-167.8	-55.6	162.8	178.2	173.3	-1.3	112.9
560	G	30.6	Very low	31.5	Very low	77 Å²	77	145.7 Å²	145.7	79%	0.794	83%	0.829	S	S	*	*			cis	179.8	138.7	-5.3	0	0	0	0	0	112.5
561	S	29.8	Very low	31.6	Very low	116 Å²	116	144.4 Å²	144.4	81%	0.811	83%	0.826	S	S	*	*			trans	-69.6	143.8	-170.7	-37.7	0	0	0	0	115.4
562	R	34.8	Very low	31.7	Very low	259 Å²	259	145.4 Å²	145.4	98%	0.977	83%	0.828	S	S	*	*			trans	170	126	151.4	-91.1	145.4	-171.8	-160.7	2.8	108.4
563	G	32.3	Very low	31.9	Very low	70 Å²	70	147.5 Å²	147.5	72%	0.722	83%	0.827	S	S	*	*			cis	158.3	151.2	-11.6	0	0	0	0	0	111.7
564	N	30.6	Very low	31.8	Very low	156 Å²	156	148.1 Å²	148.1	83%	0.834	83%	0.828	S	S	*	*			trans	58.5	142.3	165.6	-70	0.1	0	0	0	118.6
565	R	33.9	Very low	32	Very low	240 Å²	240	140.8 Å²	140.8	91%	0.906	82%	0.817	S	S	*	*			cis	-132.6	164.7	-5.6	-78	127	174.4	-179.2	-1.9	105.7
566	G	27.8	Very low	32.3	Very low	81 Å²	81	143.2 Å²	143.2	84%	0.835	81%	0.812	S	S	*	*			cis	121.5	113.9	22.9	0	0	0	0	0	108.7
567	G	36	Very low	32.3	Very low	79 Å²	79	134.1 Å²	134.1	81%	0.814	80%	0.798	S	S	*	*			trans	173.9	95.9	-175	0	0	0	0	0	111
568	N	29.5	Very low	32.5	Very low	167 Å²	167	142.1 Å²	142.1	89%	0.893	81%	0.808	S	S	*	*			trans	-99.8	136	-163.3	-147.8	29.1	0	0	0	112.1
569	V	32.9	Very low	32.4	Very low	135 Å²	135	143.5 Å²	143.5	82%	0.818	81%	0.807	S	S	*	*			trans	-106.2	116.6	175	-178.1	0	0	0	0	109.8
570	G	31.7	Very low	32.4	Very low	69 Å²	69	139.8 Å²	139.8	71%	0.711	80%	0.8	S	S	*	*			trans	-86.1	144.5	154.4	0	0	0	0	0	108.5
571	G	30.4	Very low	33.3	Very low	73 Å²	73	141.7 Å²	141.7	75%	0.753	80%	0.799	S	S	*	*			cis	101.1	128	42	0	0	0	0	0	107.5
572	K	32.5	Very low	33.5	Very low	190 Å²	190	143.7 Å²	143.7	83%	0.826	80%	0.8	S	S	*	*			cis	-146.2	140.4	32.6	-60.8	162.1	-177.2	167.6	0	109.1
573	R	34	Very low	33.5	Very low	228 Å²	228	135.1 Å²	135.1	86%	0.86	78%	0.781	S	S	*	*				67.2	140.6	101.8	-61.5	-176.5	-179.8	-170.6	0.2	115.9
574	K	31.6	Very low	33.5	Very low	159 Å²	159	140.9 Å²	140.9	69%	0.691	79%	0.786	S	S	*	*			cis	-164.8	163.8	-3.6	-137.5	179.3	167.4	-84.5	0	114.1	D576	K574-D576 IonicContact NZ-OD2 2.73Å; K574-D576 PolarHBondContact NZ-OD2 3.01Å
575	A	31	Very low	33.7	Very low	78 Å²	78	145.5 Å²	145.5	65%	0.645	79%	0.791	S	S	*	*			trans	88	162	136.6	0	0	0	0	0	120.5
576	D	36	Very low	33.6	Very low	129 Å²	129	144.7 Å²	144.7	69%	0.69	79%	0.788	S	S	*	*			cis	175.7	131.3	-37.2	-77.6	-37.5	0	0	0	104.6	K574	K574-D576 IonicContact NZ-OD2 2.73Å; K574-D576 PolarHBondContact NZ-OD2 3.01Å
577	G	34.9	Very low	34	Very low	65 Å²	65	147.6 Å²	147.6	67%	0.67	78%	0.78	S	S	*	*			cis	175	-158.8	-4.4	0	0	0	0	0	110.7
578	Y	34.3	Very low	34.1	Very low	235 Å²	235	150.1 Å²	150.1	92%	0.922	78%	0.78	S	S	*	*			trans	91.6	159.1	159.8	-65.4	-81	0	0	0	122.7
579	N	30.4	Very low	34.7	Very low	146 Å²	146	149.6 Å²	149.6	78%	0.781	78%	0.777	S	S	*	*			trans	-175.8	144	-138.2	168	19.6	0	0	0	112.8
580	Q	35.9	Very low	35.3	Very low	183 Å²	183	145.6 Å²	145.6	86%	0.855	75%	0.751	S	S	*	*			trans	170	167.8	142.1	-94.2	-167	-8.1	0	0	117.4
581	P	49	Very low	35.4	Very low	118 Å²	118	144.2 Å²	144.2	77%	0.766	73%	0.726	S	S	*	*			trans	-138.6	177.7	-161.5	45.9	-30.1	0	0	0	120.7
582	D	34.4	Very low	36	Very low	157 Å²	157	142.9 Å²	142.9	84%	0.84	70%	0.701	S	S	*	*			trans	-166.7	-168.8	149.4	-145.2	-23.4	0	0	0	117.3
583	S	33.7	Very low	36	Very low	80 Å²	80	134 Å²	134	56%	0.559	66%	0.662	S	S	*	*			trans	-161.6	174.4	-143	67.7	0	0	0	0	124
584	K	33	Very low	35.9	Very low	191 Å²	191	124.6 Å²	124.6	83%	0.83	63%	0.626	S	S	*	*			trans	99.4	143.6	142.9	-78.1	166.6	-175.4	164.5	0	128.9
585	R	35.5	Very low	36.1	Very low	253 Å²	253	118.2 Å²	118.2	96%	0.955	61%	0.606	S	S	*	*			trans	-177.4	-169.8	149.9	-98.9	160.9	-159.7	-86	-3.4	117.7
586	R	31.7	Very low	36	Very low	222 Å²	222	117.1 Å²	117.1	84%	0.838	59%	0.593	S	S	*	*			trans	-153	-179.5	-169.5	-135.3	-174.7	-174.4	-153.6	9.8	112.7
587	Q	35.3	Very low	36.1	Very low	142 Å²	142	117.3 Å²	117.3	66%	0.664	59%	0.59	S	S	*	*			cis	-160.9	-158.5	9.6	-153.9	-178.6	-87.1	0	0	113.7
588	T	38.6	Very low	36	Very low	132 Å²	132	118.3 Å²	118.3	81%	0.81	59%	0.585	S	S	*	*			trans	-150.1	-178.9	-167.7	49.7	0	0	0	0	117.2
589	N	42.9	Very low	36.4	Very low	156 Å²	156	115.7 Å²	115.7	83%	0.834	59%	0.585	S	S	*	*			trans	-147.1	-178.6	-169.3	-150.1	81.2	0	0	0	117.6
590	N	43.7	Very low	36.2	Very low	52 Å²	52	113.4 Å²	113.4	28%	0.278	59%	0.586	S	S	.	*			trans	-160.8	-173.2	-174.5	-116.7	-8.4	0	0	0	113.7	L60 D61 E62	L60-N590 PolarHBondContact O-ND2 3.1Å; D61-N590 VanDerWaalsContact CA-OD1 3.28Å; D61-N590 WeakPolarHBondContact CA-OD1 3.43Å; E62-N590 PolarHBondContact N-OD1 3.14Å; E62-N590 VanDerWaalsContact N-OD1 3.11Å
591	Q	35.6	Very low	35.8	Very low	39 Å²	39	113.6 Å²	113.6	18%	0.182	59%	0.587	C	S	.	*			cis	-172.5	177	12.4	-117.6	-83.2	-17.4	0	0	114.9	Y57 L60 E62 N593	Y57-Q591 HydrophobicContact CE1-CB 4.27Å; Y57-Q591 HydrophobicContact CE1-CG 3.92Å; Y57-Q591 HydrophobicContact CE2-CG 4.15Å; Y57-Q591 VanDerWaalsContact OH-CB 3.22Å; Y57-Q591 WeakPolarHBondContact OH-CB 3.4Å; Y57-Q591 WeakPolarHBondContact OH-CG 3.46Å; Y57-Q591 PolarHBondContact OH-OE1 2.76Å; L60-Q591 PolarHBondContact O-NE2 3.03Å; L60-Q591 VanDerWaalsContact O-NE2 3.1Å; E62-Q591 PolarHBondContact OE1-N 3.05Å; Q591-N593 PolarHBondContact OE1-ND2 3.39Å
592	Q	42.6	Very low	34.7	Very low	46 Å²	46	117.2 Å²	117.2	22%	0.215	59%	0.594	C	S	.	*			trans	-170.9	159.2	-178.8	38.2	46.3	-92	0	0	117.7	E62 I65 D66	E62-Q592 VanDerWaalsContact CA-OE1 3.29Å; E62-Q592 HydrophobicContact CG-CG 4.38Å; E62-Q592 PolarHBondContact O-NE2 2.96Å; E62-Q592 PolarHBondContact O-OE1 2.98Å; I65-Q592 WeakPolarHBondContact CG2-O 3.48Å; D66-Q592 VanDerWaalsContact CG-NE2 3.29Å; D66-Q592 VanDerWaalsContact N-NE2 3.17Å; D66-Q592 PolarHBondContact OD1-NE2 3.17Å
593	N	32.7	Very low	34.4	Very low	3 Å²	3	114.9 Å²	114.9	2%	0.016	59%	0.588	C	S	.	*			trans	-152.3	-95.9	-175	-92.1	-78	0	0	0	129.7	T32 L33 A36 G37 L38 I65 Q591	T32-N593 VanDerWaalsContact O-CB 3.28Å; T32-N593 WeakPolarHBondContact O-CB 3.38Å; T32-N593 PolarHBondContact O-ND2 2.72Å; L33-N593 HydrophobicContact CB-CB 4.18Å; L33-N593 HydrophobicContact CD2-CB 4.38Å; L33-N593 VanDerWaalsContact CD2-CG 3.43Å; L33-N593 WeakPolarHBondContact CD2-ND2 3.4Å; L33-N593 VanDerWaalsContact CD2-OD1 3.24Å; L33-N593 WeakPolarHBondContact CD2-OD1 3.41Å; L33-N593 WeakPolarHBondContact O-CB 3.09Å; A36-N593 CarbonylContact C-O 3.5Å; A36-N593 VanDerWaalsContact C-O 3.23Å; A36-N593 CarbonylContact O-C 3.6Å; G37-N593 CarbonylContact C-O 3.57Å; G37-N593 WeakPolarHBondContact CA-O 3.29Å; G37-N593 PolarHBondContact N-O 3.46Å; L38-N593 VanDerWaalsContact CD1-OD1 3.25Å; L38-N593 WeakPolarHBondContact CD1-OD1 3.29Å; L38-N593 PolarHBondContact N-O 2.67Å; I65-N593 WeakPolarHBondContact CD1-ND2 3.44Å; I65-N593 HydrophobicContact CG2-CB 4.37Å; I65-N593 WeakPolarHBondContact CG2-OD1 3.47Å; Q591-N593 PolarHBondContact OE1-ND2 3.39Å
594	W	31.1	Very low	34	Very low	30 Å²	30	118.1 Å²	118.1	11%	0.114	60%	0.598	C	S	.	*	B	Isolated β-bridge		-123.8	161.7	-128.3	-177.5	107.3	0	0	0	129	Y30 L33 I34 A36 G37 L38 Q40 A43 S596	Y30-W594 WeakPolarHBondContact OH-CZ2 3.5Å; L33-W594 HydrophobicContact CB-CB 4.11Å; L33-W594 HydrophobicContact CB-CG 4.21Å; L33-W594 WeakPolarHBondContact O-CB 3.31Å; L33-W594 PolarHBondContact O-N 3.34Å; I34-W594 HydrophobicContact CB-CE3 4.46Å; I34-W594 HydrophobicContact CD1-CD2 4.27Å; I34-W594 HydrophobicContact CD1-CE3 3.93Å; I34-W594 HydrophobicContact CD1-CH2 3.69Å; I34-W594 HydrophobicContact CD1-CZ2 3.97Å; I34-W594 HydrophobicContact CD1-CZ3 3.67Å; A36-W594 WeakPolarHBondContact CA-O 3.46Å; A36-W594 PolarHBondContact N-O 3.48Å; G37-W594 WeakPolarHBondContact CA-O 3.45Å; L38-W594 CarbonylContact O-C 3.6Å; L38-W594 VanDerWaalsContact O-CA 3.31Å; L38-W594 WeakPolarHBondContact O-CA 3.5Å; Q40-W594 HydrophobicContact CB-CH2 4.01Å; Q40-W594 HydrophobicContact CB-CZ2 3.46Å; Q40-W594 VanDerWaalsContact CB-CZ2 3.46Å; Q40-W594 HydrophobicContact CG-CH2 4.15Å; Q40-W594 HydrophobicContact CG-CZ2 3.5Å; Q40-W594 VanDerWaalsContact CG-CZ2 3.5Å; A43-W594 HydrophobicContact CB-CG 4.48Å; W594-S596 WeakPolarHBondContact CH2-OG 3.45Å; W594-S596 WeakPolarHBondContact CZ3-OG 3.22Å
595	G	36.7	Very low	34.2	Very low	25 Å²	25	118.4 Å²	118.4	26%	0.258	60%	0.602	S	S	.	*			trans	134.1	147.2	157.6	0	0	0	0	0	119.3	L38	L38-G595 PolarHBondContact O-N 2.58Å
596	S	27.2	Very low	33.7	Very low	55 Å²	55	114.6 Å²	114.6	39%	0.385	60%	0.595	S	S	.	*			cis	-166.7	166.8	-10.6	-60.2	0	0	0	0	117.2	Q40 W594	Q40-S596 VanDerWaalsContact CB-CA 3.44Å; W594-S596 WeakPolarHBondContact CH2-OG 3.45Å; W594-S596 WeakPolarHBondContact CZ3-OG 3.22Å
597	Q	38	Very low	33.4	Very low	133 Å²	133	108.1 Å²	108.1	62%	0.621	60%	0.597	S	S	*	*			trans	104.3	133.6	154	-59.1	-62.5	-12.1	0	0	126.9	K41	K41-Q597 PolarHBondContact NZ-O 2.8Å
598	P	34	Very low	32.9	Very low	86 Å²	86	104.8 Å²	104.8	56%	0.558	60%	0.601	S	S	*	*			trans	-110.2	170.3	174.2	41.4	-34.2	0	0	0	118.4
599	I	42.6	Very low	32.3	Very low	180 Å²	180	106.2 Å²	106.2	92%	0.923	60%	0.604	S	S	*	*			trans	-138.3	159.5	175.1	-70.8	-177	0	0	0	111.9
600	A	26.8	Very low	31.9	Very low	98 Å²	98	109.8 Å²	109.8	81%	0.81	61%	0.607	S	S	*	*			trans	-89.9	172.9	-159.3	0	0	0	0	0	118.7
601	Q	26.5	Very low	31.1	Very low	188 Å²	188	113.2 Å²	113.2	88%	0.879	64%	0.635	S	S	*	*			trans	-91	150.8	-176.8	-54.8	170.9	2.2	0	0	114.1
602	Q	27	Very low	30.7	Very low	193 Å²	193	114.8 Å²	114.8	90%	0.902	66%	0.662	S	S	*	*			trans	-152.8	161.8	146.6	-86.4	-142.9	4.8	0	0	110.5
603	P	27	Very low	29.8	Very low	109 Å²	109	119.7 Å²	119.7	71%	0.708	69%	0.69	S	S	*	*			trans	-113.6	157.7	-144.4	40.7	-35.1	0	0	0	118.2
604	L	26.3	Very low	30	Very low	147 Å²	147	130.6 Å²	130.6	77%	0.77	73%	0.732	S	S	*	*			trans	47.4	120.6	143.1	-149.9	81.9	0	0	0	120.9	Q606	L604-Q606 HydrophobicContact CD2-CG 4.37Å
605	Q	35.5	Very low	29.6	Very low	197 Å²	197	131.8 Å²	131.8	92%	0.921	75%	0.754	S	S	*	*			trans	-138.3	145.6	140.2	-163.9	159.2	96.3	0	0	109.7
606	Q	25.4	Very low	29	Very low	174 Å²	174	141.1 Å²	141.1	81%	0.813	78%	0.783	S	S	*	*			trans	-98.2	157.1	-168.7	-65.9	173.5	-36.8	0	0	113.4	L604	L604-Q606 HydrophobicContact CD2-CG 4.37Å
607	G	25.2	Very low	29.2	Very low	85 Å²	85	146.4 Å²	146.4	88%	0.876	81%	0.807	S	S	*	*			trans	115.3	135.7	144.8	0	0	0	0	0	116.1
608	G	26.4	Very low	28.5	Very low	72 Å²	72	146.6 Å²	146.6	74%	0.742	81%	0.812	S	S	*	*			trans	141.6	45.4	166.3	0	0	0	0	0	117.3	Y610	G608-Y610 PolarHBondContact O-N 3.23Å
609	D	24.9	Very low	28.2	Very low	163 Å²	163	149.1 Å²	149.1	87%	0.872	82%	0.821	S	S	*	*			trans	-63.1	116.7	166.7	-65.9	-74.3	0	0	0	110.8
610	Y	35.3	Very low	27.6	Very low	230 Å²	230	147 Å²	147	90%	0.902	81%	0.812	S	S	*	*			trans	-142.3	91.6	163.9	-103.1	-76.6	0	0	0	111.5	G608	G608-Y610 PolarHBondContact O-N 3.23Å
611	S	26	Very low	27.7	Very low	125 Å²	125	150.5 Å²	150.5	87%	0.874	81%	0.811	S	S	*	*			trans	-77.7	133	163.9	49.8	0	0	0	0	109.9
612	G	28.4	Very low	27.5	Very low	72 Å²	72	150.4 Å²	150.4	74%	0.742	81%	0.81	S	S	*	*			trans	-149.1	79.5	-172.2	0	0	0	0	0	112.5
613	N	23.7	Very low	27.3	Very low	149 Å²	149	149.2 Å²	149.2	80%	0.797	80%	0.803	S	S	*	*			trans	-78.8	128.1	-179.7	170.6	73.8	0	0	0	112.1
614	Y	35.8	Very low	27.5	Very low	231 Å²	231	155.3 Å²	155.3	91%	0.906	81%	0.813	S	S	*	*			trans	-133	134.7	161.2	-86.2	-80.1	0	0	0	110.5
615	G	22.6	Very low	27.4	Very low	55 Å²	55	155.3 Å²	155.3	57%	0.567	81%	0.809	S	S	*	*			trans	-151.9	180	174.8	0	0	0	0	0	110.4
616	Y	23.9	Very low	27	Very low	221 Å²	221	152.5 Å²	152.5	87%	0.867	80%	0.801	S	S	*	*			trans	62.4	118.7	-178	-67.7	-89.3	0	0	0	116.4
617	N	31.4	Very low	27.1	Very low	166 Å²	166	150.7 Å²	150.7	89%	0.888	80%	0.802	S	S	*	*				-149	157.1	100.5	-108.4	-8.4	0	0	0	111.5
618	N	23	Very low	27.4	Very low	138 Å²	138	157 Å²	157	74%	0.738	80%	0.801	S	S	*	*			trans	-138.7	123	-178.2	161.5	86.6	0	0	0	106.6
619	D	27.5	Very low	27.5	Very low	138 Å²	138	156.9 Å²	156.9	74%	0.738	80%	0.8	S	S	*	*			trans	-167.1	166.7	167.9	-104.3	-34.9	0	0	0	113
620	N	31.3	Very low	28.2	Very low	137 Å²	137	158.3 Å²	158.3	73%	0.733	80%	0.801	S	S	*	*			trans	72	61.9	171.4	-64.4	-16.8	0	0	0	118.5
621	Q	28.2	Very low	27.8	Very low	171 Å²	171	155.7 Å²	155.7	80%	0.799	80%	0.797	S	S	*	*				59.1	128.5	111.6	-64.6	179	7.5	0	0	120.9
622	E	22.1	Very low	27.9	Very low	185 Å²	185	161.5 Å²	161.5	86%	0.864	80%	0.8	S	S	*	*			trans	-74.3	137	163.3	-53.4	158	124.3	0	0	110.6
623	F	24.1	Very low	28	Very low	169 Å²	169	171.2 Å²	171.2	74%	0.741	82%	0.822	S	S	*	*			trans	-158.7	106.5	154.4	-120.7	-75.6	0	0	0	111.5
624	Y	29.8	Very low	28.2	Very low	236 Å²	236	172.4 Å²	172.4	93%	0.925	82%	0.823	S	S	*	*			trans	-155.7	102	150.3	-104.6	-71.1	0	0	0	108.8
625	Q	24.1	Very low	27.8	Very low	147 Å²	147	169.3 Å²	169.3	69%	0.687	82%	0.819	S	S	*	*			trans	-77.9	149.9	153.5	-65.1	179.7	-7.6	0	0	107.6
626	D	28.8	Very low	28.1	Very low	139 Å²	139	175.6 Å²	175.6	74%	0.743	83%	0.832	S	S	*	*				-170.9	131.4	111.8	-103.7	-25	0	0	0	112.4
627	T	26.2	Very low	28.3	Very low	136 Å²	136	172.9 Å²	172.9	83%	0.834	83%	0.83	S	S	*	*			trans	-113.3	99.4	167.4	49	0	0	0	0	109.3
628	Y	32	Very low	28.1	Very low	217 Å²	217	173.4 Å²	173.4	85%	0.851	83%	0.827	S	S	*	*			trans	-131.2	128	162.9	-91.9	-81.2	0	0	0	110.6
629	G	28.4	Very low	28.4	Very low	70 Å²	70	175.7 Å²	175.7	72%	0.722	83%	0.833	S	S	*	*			trans	-93.1	164.1	172.8	0	0	0	0	0	111.7
630	Q	40.3	Very low	28.5	Very low	192 Å²	192	178.4 Å²	178.4	90%	0.897	84%	0.84	S	S	*	*			trans	-123.8	136.4	161.8	-83.4	-71.5	12.9	0	0	109.3
631	Q	27	Very low	28.3	Very low	175 Å²	175	181.6 Å²	181.6	82%	0.818	85%	0.848	S	S	*	*			trans	-98.9	132.7	173.7	-70.5	-178.3	-8.1	0	0	109.8
632	W	26.6	Very low	28.3	Very low	248 Å²	248	182.5 Å²	182.5	94%	0.939	85%	0.852	S	S	*	*			trans	22.9	108.8	148.5	-65.6	82.3	0	0	0	118.7
633	K	30.3	Very low	28.9	Very low	276 Å²	276	182.3 Å²	182.3	100%	1.2	85%	0.851	S	S	*	*				-136.8	0	113.7	-103.5	-174.4	179.2	-179	0	110.2

Retrieved 633 of 633 residues in 492.6 ms (Link to these results)

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