A0A087YDN7_POEFO Loading...

Carboxylic ester hydrolase

AlphaFold DB , UniProt , Accession A0A087YDN7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 497 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	42.4	Very low	38	Very low	238 Å²	238	163.1 Å²	163.1	100%	1.172	82%	0.822	S	S	*	*				0	113.9	0	-72.8	161.1	76.6	0	0	106.9
2	R	36.8	Very low	38.3	Very low	248 Å²	248	158.3 Å²	158.3	94%	0.936	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-80.5	120.6	-173.4	-80.7	177.1	166.7	174.7	-4.9	109.8
3	T	37.9	Very low	38.8	Very low	133 Å²	133	156.2 Å²	156.2	82%	0.816	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.4	121.1	173.1	-38.2	0	0	0	0	109
4	V	40.8	Very low	39	Very low	116 Å²	116	155.9 Å²	155.9	70%	0.703	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-93.2	116.3	174.4	176.9	0	0	0	0	107.9	F6	V4-F6 HydrophobicContact CG1-CD2 4.39Å; V4-F6 HydrophobicContact CG1-CE2 4.42Å
5	L	36.2	Very low	39.4	Very low	149 Å²	149	156.7 Å²	156.7	78%	0.78	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-85.5	116.6	172.9	-127.7	86.8	0	0	0	108.4
6	F	36.3	Very low	39.4	Very low	187 Å²	187	154.9 Å²	154.9	82%	0.82	81%	0.807	S	S	*	*			trans	-84	114.4	167.7	-96.3	-90.1	0	0	0	109	V4	V4-F6 HydrophobicContact CG1-CD2 4.39Å; V4-F6 HydrophobicContact CG1-CE2 4.42Å
7	V	38.5	Very low	39.7	Very low	102 Å²	102	156 Å²	156	62%	0.618	81%	0.81	S	S	*	*			trans	-92.2	112.9	170.7	177.9	0	0	0	0	107.7	F9	V7-F9 HydrophobicContact CG1-CD2 4.05Å; V7-F9 HydrophobicContact CG1-CE2 3.98Å
8	V	38	Very low	39.9	Very low	123 Å²	123	152.4 Å²	152.4	75%	0.745	81%	0.808	S	S	*	*			trans	-87.5	113.6	173.2	177.5	0	0	0	0	108
9	F	36.9	Very low	40	Very low	183 Å²	183	154.1 Å²	154.1	80%	0.803	81%	0.81	S	S	*	*			trans	-84.7	111.2	169.6	-92.7	-89.7	0	0	0	109.5	V7	V7-F9 HydrophobicContact CG1-CD2 4.05Å; V7-F9 HydrophobicContact CG1-CE2 3.98Å
10	L	37.6	Very low	40	Very low	163 Å²	163	151.5 Å²	151.5	85%	0.853	80%	0.803	S	S	*	*			trans	-82.2	107	166.4	-87.9	153.4	0	0	0	108.7
11	L	36.7	Very low	40	Very low	152 Å²	152	147.6 Å²	147.6	80%	0.796	79%	0.792	S	S	*	*			trans	-82.3	126	168.5	-90.8	152.8	0	0	0	109.2	V13	L11-V13 PolarHBondContact O-N 3.05Å
12	P	42.1	Very low	39.7	Very low	106 Å²	106	142.9 Å²	142.9	69%	0.688	78%	0.779	S	S	*	*			trans	-74	121.7	173.7	29.4	-30.5	0	0	0	109.5	L14	P12-L14 PolarHBondContact O-N 3.12Å; P12-L14 VanDerWaalsContact O-N 3.16Å
13	V	44.9	Very low	40.4	Very low	131 Å²	131	132.9 Å²	132.9	79%	0.794	75%	0.753	S	S	*	*			trans	-73.7	101.6	170	177.8	0	0	0	0	107.8	L11 M15	L11-V13 PolarHBondContact O-N 3.05Å; V13-M15 PolarHBondContact O-N 3.22Å
14	L	41.5	Very low	41.1	Very low	151 Å²	151	129 Å²	129	79%	0.791	73%	0.732	S	S	*	*			trans	-72.5	101.4	166.5	-97.6	135.4	0	0	0	108.4	P12 V16	P12-L14 PolarHBondContact O-N 3.12Å; P12-L14 VanDerWaalsContact O-N 3.16Å; L14-V16 PolarHBondContact O-N 3.12Å; L14-V16 VanDerWaalsContact O-N 3.12Å
15	M	44.1	Very low	42.2	Very low	168 Å²	168	128.1 Å²	128.1	83%	0.828	73%	0.73	S	S	*	*			trans	-69.4	100.6	163.3	-86.8	-175.1	172.8	0	0	108.5	V13 M17	V13-M15 PolarHBondContact O-N 3.22Å; M15-M17 PolarHBondContact O-N 3.22Å
16	V	40.4	Very low	44.4	Very low	128 Å²	128	125.5 Å²	125.5	78%	0.776	71%	0.714	S	S	*	*			trans	-74.1	103	165	178.9	0	0	0	0	106.9	L14 A18	L14-V16 PolarHBondContact O-N 3.12Å; L14-V16 VanDerWaalsContact O-N 3.12Å; V16-A18 PolarHBondContact O-N 3.16Å; V16-A18 VanDerWaalsContact O-N 3.13Å
17	M	44.6	Very low	47.2	Very low	174 Å²	174	117.7 Å²	117.7	86%	0.857	68%	0.681	S	S	*	*			trans	-65.3	107	163.9	-72.9	-105.3	-171.8	0	0	107.2	M15 Q19	M15-M17 PolarHBondContact O-N 3.22Å; M17-Q19 PolarHBondContact O-N 3.39Å; M17-Q19 VanDerWaalsContact O-N 3.12Å
18	A	42.2	Very low	50	Low	92 Å²	92	114.2 Å²	114.2	76%	0.76	66%	0.66	S	S	*	*			trans	-63.5	111.3	171.4	0	0	0	0	0	108.4	V16	V16-A18 PolarHBondContact O-N 3.16Å; V16-A18 VanDerWaalsContact O-N 3.13Å
19	Q	41.9	Very low	52.8	Low	183 Å²	183	109 Å²	109	86%	0.855	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-67	135.3	164.6	-76.3	-176.7	-46.1	0	0	108.2	M17 A21	M17-Q19 PolarHBondContact O-N 3.39Å; M17-Q19 VanDerWaalsContact O-N 3.12Å; Q19-A21 PolarHBondContact O-N 2.71Å
20	P	40.8	Very low	55.5	Low	103 Å²	103	104 Å²	104	67%	0.669	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-58.2	137.4	173.1	23.3	-30	0	0	0	109.2
21	A	38.5	Very low	58.3	Low	69 Å²	69	97.1 Å²	97.1	57%	0.57	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-55.3	134.6	178.8	0	0	0	0	0	110.1	Q19 G23 S24	Q19-A21 PolarHBondContact O-N 2.71Å; A21-G23 PolarHBondContact O-N 2.82Å; A21-S24 PolarHBondContact O-N 2.97Å
22	P	37.4	Very low	60.8	Low	140 Å²	140	97 Å²	97	91%	0.909	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	110.5	174.2	22.6	-26.8	0	0	0	108.2
23	G	50.5	Low	63.1	Low	38 Å²	38	92.5 Å²	92.5	39%	0.392	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	134.8	-16.1	-175	0	0	0	0	0	114.8	A21	A21-G23 PolarHBondContact O-N 2.82Å
24	S	52.3	Low	65.5	Low	52 Å²	52	86.9 Å²	86.9	36%	0.364	51%	0.513	S	S	.	.	S	Bend	trans	-78.6	-21.5	-175.7	75.3	0	0	0	0	115.1	A21 R37	A21-S24 PolarHBondContact O-N 2.97Å; S24-R37 PolarHBondContact O-NH1 3.13Å
25	S	65.8	Low	68.2	Low	96 Å²	96	83.7 Å²	83.7	67%	0.671	49%	0.494	S	S	*	.	S	Bend	trans	-86.1	-19.4	178.4	62.5	0	0	0	0	113.5	L27 V28	S25-L27 VanDerWaalsContact C-N 3.28Å; S25-L27 PolarHBondContact O-N 3.5Å; S25-V28 PolarHBondContact O-N 2.87Å
26	E	82.3	Confident	70.7	Confident	95 Å²	95	75.7 Å²	75.7	44%	0.444	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-20.6	-172	-155.2	-167	155.5	0	0	113.6	Y40 K51	E26-Y40 PolarHBondContact OE1-OH 2.92Å; E26-Y40 PolarHBondContact OE2-OH 2.9Å; E26-K51 WeakPolarHBondContact OE1-CE 3.49Å; E26-K51 IonicContact OE1-NZ 2.82Å; E26-K51 PolarHBondContact OE1-NZ 3.39Å
27	L	94.6	Very high	73.5	Confident	22 Å²	22	73.1 Å²	73.1	12%	0.115	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-0.8	177.3	-70.3	171.6	0	0	0	113	S25 R37 G38 Y40 K51 Y53	S25-L27 VanDerWaalsContact C-N 3.28Å; S25-L27 PolarHBondContact O-N 3.5Å; L27-R37 WeakPolarHBondContact O-CA 3.16Å; L27-G38 PolarHBondContact O-N 3.45Å; L27-Y40 HydrophobicContact CD1-CD2 3.77Å; L27-Y40 HydrophobicContact CD1-CE2 3.83Å; L27-Y40 HydrophobicContact CD2-CD1 4.32Å; L27-Y40 HydrophobicContact CD2-CD2 3.94Å; L27-Y40 HydrophobicContact CD2-CE1 4.17Å; L27-Y40 HydrophobicContact CD2-CE2 3.8Å; L27-Y40 HydrophobicContact CD2-CG 4.19Å; L27-Y40 HydrophobicContact CG-CD2 4.12Å; L27-Y40 HydrophobicContact CG-CE2 3.78Å; L27-K51 HydrophobicContact CD2-CB 4.34Å; L27-K51 HydrophobicContact CD2-CD 4.48Å; L27-K51 HydrophobicContact CD2-CG 3.99Å; L27-Y53 VanDerWaalsContact O-CE1 3.26Å; L27-Y53 WeakPolarHBondContact O-CE1 3.36Å
28	V	96.8	Very high	76	Confident	29 Å²	29	65 Å²	65	18%	0.176	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.1	177.9	-174	0	0	0	0	109.2	S25 Q35 I36 R37 E80	S25-V28 PolarHBondContact O-N 2.87Å; V28-Q35 HydrophobicContact CG1-CB 4.06Å; V28-Q35 HydrophobicContact CG1-CG 4.49Å; V28-I36 CarbonylContact C-O 3.57Å; V28-I36 WeakPolarHBondContact CA-O 3.11Å; V28-R37 HydrophobicContact CG2-CB 4.45Å; V28-R37 VanDerWaalsContact CG2-CZ 3.46Å; V28-E80 HydrophobicContact CG1-CG 4.37Å; V28-E80 VanDerWaalsContact CG2-OE2 3.25Å; V28-E80 WeakPolarHBondContact CG2-OE2 3.35Å
29	V	96.1	Very high	78.6	Confident	13 Å²	13	63 Å²	63	8%	0.079	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.4	175.5	177.3	0	0	0	0	108.9	L31 Q35 I36 Y53 A208 F209	V29-L31 HydrophobicContact CG1-CD2 3.83Å; V29-L31 HydrophobicContact CG1-CG 4.5Å; V29-Q35 WeakPolarHBondContact O-CA 3.16Å; V29-I36 HydrophobicContact CB-CG2 4.18Å; V29-I36 PolarHBondContact N-O 3.44Å; V29-I36 PolarHBondContact O-N 3.22Å; V29-Y53 HydrophobicContact CB-CE1 4.24Å; V29-Y53 HydrophobicContact CG2-CD1 4.49Å; V29-Y53 HydrophobicContact CG2-CE1 3.58Å; V29-Y53 HydrophobicContact CG2-CE2 4.35Å; V29-Y53 WeakPolarHBondContact CG2-OH 3.36Å; V29-A208 HydrophobicContact CG1-CB 3.62Å; V29-F209 HydrophobicContact CB-CD1 4.49Å; V29-F209 HydrophobicContact CB-CE1 4.01Å; V29-F209 HydrophobicContact CB-CZ 4.26Å; V29-F209 HydrophobicContact CG1-CD1 4.24Å; V29-F209 HydrophobicContact CG1-CD2 4.33Å; V29-F209 HydrophobicContact CG1-CE1 3.89Å; V29-F209 HydrophobicContact CG1-CE2 4Å; V29-F209 HydrophobicContact CG1-CG 4.46Å; V29-F209 HydrophobicContact CG1-CZ 3.78Å; V29-F209 HydrophobicContact CG2-CD1 4Å; V29-F209 HydrophobicContact CG2-CE1 3.93Å
30	S	95.6	Very high	81.2	Confident	80 Å²	80	57.5 Å²	57.5	56%	0.559	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	117.8	174.8	-64.1	0	0	0	0	110
31	L	94.9	Very high	83.9	Confident	18 Å²	18	53.3 Å²	53.3	9%	0.094	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	166.3	174.9	-50.3	174.7	0	0	0	109.6	V29 S33 G34 I36 I56 W77 W201 N205 A208 F209	V29-L31 HydrophobicContact CG1-CD2 3.83Å; V29-L31 HydrophobicContact CG1-CG 4.5Å; L31-S33 PolarHBondContact O-N 3.41Å; L31-G34 WeakPolarHBondContact CA-O 3.42Å; L31-G34 VanDerWaalsContact CB-O 3.3Å; L31-G34 WeakPolarHBondContact CB-O 3.37Å; L31-G34 PolarHBondContact N-O 3Å; L31-G34 PolarHBondContact O-N 2.73Å; L31-I36 HydrophobicContact CD1-CG2 4.11Å; L31-I56 HydrophobicContact CD1-CG2 3.98Å; L31-W77 HydrophobicContact CD1-CH2 4.04Å; L31-W77 HydrophobicContact CD1-CZ2 4.42Å; L31-W201 HydrophobicContact CD1-CZ2 3.99Å; L31-W201 HydrophobicContact CD2-CZ2 4.18Å; L31-N205 HydrophobicContact CD2-CB 4.08Å; L31-A208 HydrophobicContact CD2-CB 4.5Å; L31-F209 HydrophobicContact CD1-CZ 4.46Å; L31-F209 HydrophobicContact CD2-CE2 3.43Å; L31-F209 VanDerWaalsContact CD2-CE2 3.43Å; L31-F209 HydrophobicContact CD2-CZ 3.68Å
32	K	88.8	Confident	86.6	Confident	149 Å²	149	54.5 Å²	54.5	65%	0.648	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-33.2	172.4	-67.3	-178.1	-172.7	172.9	0	112.6	E204	K32-E204 IonicContact NZ-OE2 3.42Å; K32-E204 PolarHBondContact NZ-OE2 3.17Å
33	S	91.8	Very high	89.3	Confident	11 Å²	11	48.1 Å²	48.1	8%	0.077	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-10.4	-178.4	47.1	0	0	0	0	113.8	L31 P76 W77	L31-S33 PolarHBondContact O-N 3.41Å; S33-P76 CarbonylContact O-C 3.59Å; S33-P76 WeakPolarHBondContact O-CA 3.18Å; S33-W77 VanDerWaalsContact CB-CZ3 3.45Å; S33-W77 PolarHBondContact O-N 2.93Å; S33-W77 WeakPolarHBondContact OG-CH2 3.23Å; S33-W77 WeakPolarHBondContact OG-CZ3 3.28Å
34	G	95	Very high	91.4	Very high	14 Å²	14	51 Å²	51	14%	0.144	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.9	-172	179.9	0	0	0	0	0	113	L31	L31-G34 WeakPolarHBondContact CA-O 3.42Å; L31-G34 VanDerWaalsContact CB-O 3.3Å; L31-G34 WeakPolarHBondContact CB-O 3.37Å; L31-G34 PolarHBondContact N-O 3Å; L31-G34 PolarHBondContact O-N 2.73Å
35	Q	97.4	Very high	93.3	Very high	84 Å²	84	51.9 Å²	51.9	39%	0.393	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	140	180	-66.1	176.5	64.7	0	0	111	V28 V29 W77 R81	V28-Q35 HydrophobicContact CG1-CB 4.06Å; V28-Q35 HydrophobicContact CG1-CG 4.49Å; V29-Q35 WeakPolarHBondContact O-CA 3.16Å; Q35-W77 PolarHBondContact O-NE1 3.37Å; Q35-R81 PolarHBondContact O-N 2.82Å
36	I	97.8	Very high	94.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.1	174.3	-169.6	170.4	0	0	0	111	V28 V29 L31 Y53 I56 R81 F209	V28-I36 CarbonylContact C-O 3.57Å; V28-I36 WeakPolarHBondContact CA-O 3.11Å; V29-I36 HydrophobicContact CB-CG2 4.18Å; V29-I36 PolarHBondContact N-O 3.44Å; V29-I36 PolarHBondContact O-N 3.22Å; L31-I36 HydrophobicContact CD1-CG2 4.11Å; I36-Y53 HydrophobicContact CG2-CD1 4.02Å; I36-I56 HydrophobicContact CD1-CB 4.36Å; I36-I56 HydrophobicContact CD1-CD1 4.25Å; I36-I56 HydrophobicContact CD1-CG1 3.28Å; I36-R81 WeakPolarHBondContact CA-O 3.42Å; I36-F209 HydrophobicContact CG2-CZ 4.44Å
37	R	97.9	Very high	95.2	Very high	73 Å²	73	54.1 Å²	54.1	28%	0.275	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.3	172.4	176.6	179	-62.5	-70.1	-10.7	110.4	S24 L27 V28 E80 R81 G83	S24-R37 PolarHBondContact O-NH1 3.13Å; L27-R37 WeakPolarHBondContact O-CA 3.16Å; V28-R37 HydrophobicContact CG2-CB 4.45Å; V28-R37 VanDerWaalsContact CG2-CZ 3.46Å; R37-E80 HydrophobicContact CB-CG 3.9Å; R37-E80 WeakPolarHBondContact CB-OE1 3.45Å; R37-E80 WeakPolarHBondContact CD-OE1 3.49Å; R37-E80 IonicContact CZ-OE1 3.51Å; R37-E80 VanDerWaalsContact CZ-OE1 3.3Å; R37-E80 IonicContact CZ-OE2 3Å; R37-E80 VanDerWaalsContact NE-CD 3.34Å; R37-E80 IonicContact NE-OE1 3.05Å; R37-E80 PolarHBondContact NE-OE1 3.25Å; R37-E80 IonicContact NE-OE2 3.33Å; R37-E80 VanDerWaalsContact NH2-CD 3.32Å; R37-E80 IonicContact NH2-OE1 3.06Å; R37-E80 PolarHBondContact NH2-OE1 3.05Å; R37-E80 IonicContact NH2-OE2 2.92Å; R37-E80 PolarHBondContact NH2-OE2 3.37Å; R37-R81 PolarHBondContact N-O 2.98Å; R37-G83 CarbonylContact O-C 3.52Å; R37-G83 WeakPolarHBondContact O-CA 3.39Å; R37-G83 PolarHBondContact O-N 3.42Å
38	G	97.6	Very high	95.2	Very high	3 Å²	3	58.3 Å²	58.3	3%	0.031	31%	0.306	C	S	.	.			trans	-96.2	-163.6	170.6	0	0	0	0	0	112.8	L27 R52	L27-G38 PolarHBondContact O-N 3.45Å; G38-R52 CarbonylContact C-O 3.58Å; G38-R52 WeakPolarHBondContact CA-O 3.31Å
39	E	97.1	Very high	95.1	Very high	52 Å²	52	61.6 Å²	61.6	24%	0.243	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	162.9	176	69.8	-168.9	129.7	0	0	112.3	V41 K51 R52 T84	E39-V41 HydrophobicContact CG-CG1 4Å; E39-K51 CarbonylContact O-C 3.45Å; E39-K51 WeakPolarHBondContact O-CA 3.31Å; E39-R52 VanDerWaalsContact CD-NH2 3.31Å; E39-R52 HydrophobicContact CG-CB 4.28Å; E39-R52 PolarHBondContact N-O 3.06Å; E39-R52 PolarHBondContact O-N 3.36Å; E39-R52 IonicContact OE1-CZ 3.96Å; E39-R52 IonicContact OE1-NE 3.33Å; E39-R52 PolarHBondContact OE1-NE 3.28Å; E39-R52 IonicContact OE1-NH2 3.73Å; E39-R52 PolarHBondContact OE1-NH2 3.49Å; E39-R52 IonicContact OE2-NH2 3.88Å; E39-T84 HydrophobicContact CB-CG2 3.85Å; E39-T84 HydrophobicContact CG-CG2 4.21Å; E39-T84 WeakPolarHBondContact OE1-CB 3.31Å
40	Y	96.9	Very high	95.2	Very high	66 Å²	66	61 Å²	61	26%	0.259	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.2	167.5	-73.6	-67.2	0	0	0	110.6	E26 L27 V50 K51 A126	E26-Y40 PolarHBondContact OE1-OH 2.92Å; E26-Y40 PolarHBondContact OE2-OH 2.9Å; L27-Y40 HydrophobicContact CD1-CD2 3.77Å; L27-Y40 HydrophobicContact CD1-CE2 3.83Å; L27-Y40 HydrophobicContact CD2-CD1 4.32Å; L27-Y40 HydrophobicContact CD2-CD2 3.94Å; L27-Y40 HydrophobicContact CD2-CE1 4.17Å; L27-Y40 HydrophobicContact CD2-CE2 3.8Å; L27-Y40 HydrophobicContact CD2-CG 4.19Å; L27-Y40 HydrophobicContact CG-CD2 4.12Å; L27-Y40 HydrophobicContact CG-CE2 3.78Å; Y40-V50 CarbonylContact C-O 3.6Å; Y40-V50 WeakPolarHBondContact CA-O 3.31Å; Y40-K51 HydrophobicContact CD1-CG 4.04Å; Y40-K51 HydrophobicContact CE1-CD 4.29Å; Y40-K51 HydrophobicContact CE1-CG 3.62Å; Y40-K51 WeakPolarHBondContact OH-CE 3.29Å; Y40-A126 HydrophobicContact CD1-CB 3.97Å; Y40-A126 HydrophobicContact CE1-CB 3.69Å
41	V	96	Very high	95.3	Very high	16 Å²	16	58.6 Å²	58.6	10%	0.097	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.5	170.4	-57	0	0	0	0	110.5	E39 R49 V50 R52 S156	E39-V41 HydrophobicContact CG-CG1 4Å; V41-R49 WeakPolarHBondContact O-CA 3.46Å; V41-R49 WeakPolarHBondContact O-CB 3.4Å; V41-V50 HydrophobicContact CG2-CB 3.63Å; V41-V50 HydrophobicContact CG2-CG1 4.03Å; V41-V50 PolarHBondContact N-O 3.39Å; V41-V50 PolarHBondContact O-N 3.1Å; V41-R52 HydrophobicContact CG1-CB 4.07Å; V41-R52 HydrophobicContact CG2-CB 4.31Å; V41-S156 WeakPolarHBondContact CG2-OG 3.37Å
42	T	95.5	Very high	95.5	Very high	93 Å²	93	58.9 Å²	58.9	57%	0.571	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	145.8	175.2	57.1	0	0	0	0	109.4	R49 N466	T42-R49 HydrophobicContact CG2-CG 4.4Å; T42-N466 PolarHBondContact O-ND2 3.35Å; T42-N466 PolarHBondContact O-OD1 3.22Å
43	V	95.1	Very high	95.9	Very high	6 Å²	6	52 Å²	52	4%	0.036	26%	0.261	C	S	.	.			trans	-112	133.4	179.7	176	0	0	0	0	109.4	G45 T46 V50 A160 Y161 F464	V43-G45 PolarHBondContact O-N 3.14Å; V43-T46 HydrophobicContact CB-CG2 3.7Å; V43-T46 HydrophobicContact CG1-CG2 3.79Å; V43-T46 PolarHBondContact O-N 2.88Å; V43-T46 VanDerWaalsContact O-O 3.07Å; V43-V50 HydrophobicContact CG2-CG2 4.32Å; V43-A160 HydrophobicContact CB-CB 4.09Å; V43-A160 HydrophobicContact CG1-CB 4.31Å; V43-A160 HydrophobicContact CG2-CB 3.74Å; V43-Y161 HydrophobicContact CG1-CD2 4.34Å; V43-Y161 HydrophobicContact CG1-CE2 3.82Å; V43-F464 HydrophobicContact CG1-CB 4.25Å
44	K	93.2	Very high	96.3	Very high	99 Å²	99	51.6 Å²	51.6	43%	0.43	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	137.6	177.7	-70.4	171.9	173.2	160.7	0	110.7	Y161 F464 W465 N466	K44-Y161 PolarHBondContact O-OH 3.28Å; K44-F464 HydrophobicContact CB-CB 4.26Å; K44-F464 HydrophobicContact CB-CD1 4.43Å; K44-F464 WeakPolarHBondContact O-CD1 3.42Å; K44-W465 PolarHBondContact NZ-O 3.18Å; K44-N466 HydrophobicContact CD-CB 4.17Å; K44-N466 HydrophobicContact CG-CB 4.2Å
45	G	92.6	Very high	96.4	Very high	71 Å²	71	51.4 Å²	51.4	73%	0.732	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	6.1	176.1	0	0	0	0	0	115.3	V43 Y161	V43-G45 PolarHBondContact O-N 3.14Å; G45-Y161 VanDerWaalsContact C-OH 3.26Å; G45-Y161 WeakPolarHBondContact CA-OH 3.27Å; G45-Y161 PolarHBondContact O-OH 3.26Å
46	T	94	Very high	96.5	Very high	44 Å²	44	47.4 Å²	47.4	27%	0.27	24%	0.237	S	C	.	.			trans	-147	153.7	175.2	-178.5	0	0	0	0	111.4	V43 R48 A160 Y161	V43-T46 HydrophobicContact CB-CG2 3.7Å; V43-T46 HydrophobicContact CG1-CG2 3.79Å; V43-T46 PolarHBondContact O-N 2.88Å; V43-T46 VanDerWaalsContact O-O 3.07Å; T46-R48 VanDerWaalsContact C-N 3.34Å; T46-R48 HydrophobicContact CG2-CB 4.37Å; T46-R48 PolarHBondContact OG1-N 2.64Å; T46-A160 HydrophobicContact CG2-CB 4.24Å; T46-Y161 HydrophobicContact CG2-CE2 4.28Å
47	E	94.2	Very high	96.5	Very high	193 Å²	193	47.8 Å²	47.8	90%	0.902	24%	0.24	S	C	*	.	S	Bend	trans	-84.5	-11.3	173.3	-62.9	-174.7	156	0	0	112.6
48	R	94.7	Very high	96.5	Very high	111 Å²	111	44.6 Å²	44.6	42%	0.419	23%	0.228	S	C	.	.			trans	-66.9	142.5	177.3	-68.5	-179.5	178.6	176.7	-0.1	111	T46 A160 Y161	T46-R48 VanDerWaalsContact C-N 3.34Å; T46-R48 HydrophobicContact CG2-CB 4.37Å; T46-R48 PolarHBondContact OG1-N 2.64Å; R48-A160 HydrophobicContact CB-CB 4.26Å; R48-A160 WeakPolarHBondContact CD-O 3.43Å; R48-A160 PolarHBondContact NH1-O 2.93Å; R48-Y161 PolarHBondContact NH1-O 3.41Å
49	R	95.7	Very high	96.6	Very high	98 Å²	98	44.7 Å²	44.7	37%	0.37	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	164.8	176.3	-58.8	174.6	-62.8	158	4.9	110	V41 T42 A126 E127	V41-R49 WeakPolarHBondContact O-CA 3.46Å; V41-R49 WeakPolarHBondContact O-CB 3.4Å; T42-R49 HydrophobicContact CG2-CG 4.4Å; R49-A126 HydrophobicContact CB-CB 3.83Å; R49-A126 WeakPolarHBondContact O-CB 3.39Å; R49-A126 PolarHBondContact O-N 2.93Å; R49-E127 WeakPolarHBondContact CB-OE1 3.44Å; R49-E127 IonicContact CZ-OE1 3.92Å; R49-E127 PolarHBondContact N-OE1 2.8Å; R49-E127 PolarHBondContact N-OE2 3.47Å; R49-E127 IonicContact NE-OE1 2.65Å; R49-E127 PolarHBondContact NE-OE1 3.22Å; R49-E127 IonicContact NH2-OE1 2.73Å; R49-E127 PolarHBondContact NH2-OE1 3.01Å
50	V	97.7	Very high	96.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.2	177.1	169.6	0	0	0	0	108.7	Y40 V41 V43 Y123 T124 S156 T159 A160	Y40-V50 CarbonylContact C-O 3.6Å; Y40-V50 WeakPolarHBondContact CA-O 3.31Å; V41-V50 HydrophobicContact CG2-CB 3.63Å; V41-V50 HydrophobicContact CG2-CG1 4.03Å; V41-V50 PolarHBondContact N-O 3.39Å; V41-V50 PolarHBondContact O-N 3.1Å; V43-V50 HydrophobicContact CG2-CG2 4.32Å; V50-Y123 HydrophobicContact CG1-CD1 4.28Å; V50-T124 CarbonylContact C-O 3.59Å; V50-T124 WeakPolarHBondContact CA-O 3.14Å; V50-S156 WeakPolarHBondContact CG2-O 3.19Å; V50-T159 HydrophobicContact CG1-CG2 4.03Å; V50-T159 HydrophobicContact CG2-CG2 3.73Å; V50-A160 HydrophobicContact CG2-CB 3.92Å
51	K	98.1	Very high	96.7	Very high	30 Å²	30	43.8 Å²	43.8	13%	0.13	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.4	163.2	-61.2	171.9	-178.5	172.1	0	107.2	E26 L27 E39 Y40 Y53 T124 A126	E26-K51 WeakPolarHBondContact OE1-CE 3.49Å; E26-K51 IonicContact OE1-NZ 2.82Å; E26-K51 PolarHBondContact OE1-NZ 3.39Å; L27-K51 HydrophobicContact CD2-CB 4.34Å; L27-K51 HydrophobicContact CD2-CD 4.48Å; L27-K51 HydrophobicContact CD2-CG 3.99Å; E39-K51 CarbonylContact O-C 3.45Å; E39-K51 WeakPolarHBondContact O-CA 3.31Å; Y40-K51 HydrophobicContact CD1-CG 4.04Å; Y40-K51 HydrophobicContact CE1-CD 4.29Å; Y40-K51 HydrophobicContact CE1-CG 3.62Å; Y40-K51 WeakPolarHBondContact OH-CE 3.29Å; K51-Y53 HydrophobicContact CB-CE2 3.68Å; K51-T124 HydrophobicContact CB-CG2 3.79Å; K51-T124 HydrophobicContact CD-CG2 4.48Å; K51-T124 PolarHBondContact N-O 3.33Å; K51-T124 PolarHBondContact O-N 3.02Å; K51-A126 HydrophobicContact CG-CB 4.11Å
52	R	98.1	Very high	96.8	Very high	24 Å²	24	43.2 Å²	43.2	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.2	-176.4	-178.6	175.2	77.1	-178.4	4.6	109.9	G38 E39 V41 L54 Y123 D154	G38-R52 CarbonylContact C-O 3.58Å; G38-R52 WeakPolarHBondContact CA-O 3.31Å; E39-R52 VanDerWaalsContact CD-NH2 3.31Å; E39-R52 HydrophobicContact CG-CB 4.28Å; E39-R52 PolarHBondContact N-O 3.06Å; E39-R52 PolarHBondContact O-N 3.36Å; E39-R52 IonicContact OE1-CZ 3.96Å; E39-R52 IonicContact OE1-NE 3.33Å; E39-R52 PolarHBondContact OE1-NE 3.28Å; E39-R52 IonicContact OE1-NH2 3.73Å; E39-R52 PolarHBondContact OE1-NH2 3.49Å; E39-R52 IonicContact OE2-NH2 3.88Å; V41-R52 HydrophobicContact CG1-CB 4.07Å; V41-R52 HydrophobicContact CG2-CB 4.31Å; R52-L54 HydrophobicContact CG-CD1 4.42Å; R52-L54 HydrophobicContact CG-CD2 3.63Å; R52-L54 HydrophobicContact CG-CG 3.87Å; R52-Y123 HydrophobicContact CB-CD1 4.39Å; R52-Y123 HydrophobicContact CG-CD1 3.95Å; R52-Y123 HydrophobicContact CG-CE1 3.7Å; R52-D154 IonicContact NH1-OD2 2.98Å
53	Y	98.6	Very high	96.8	Very high	3 Å²	3	42 Å²	42	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	114.2	177.2	-55.2	-97.5	0	0	0	108.4	L27 V29 I36 K51 G83 N121 V122 T124 F209	L27-Y53 VanDerWaalsContact O-CE1 3.26Å; L27-Y53 WeakPolarHBondContact O-CE1 3.36Å; V29-Y53 HydrophobicContact CB-CE1 4.24Å; V29-Y53 HydrophobicContact CG2-CD1 4.49Å; V29-Y53 HydrophobicContact CG2-CE1 3.58Å; V29-Y53 HydrophobicContact CG2-CE2 4.35Å; V29-Y53 WeakPolarHBondContact CG2-OH 3.36Å; I36-Y53 HydrophobicContact CG2-CD1 4.02Å; K51-Y53 HydrophobicContact CB-CE2 3.68Å; Y53-G83 CarbonylContact C-O 3.53Å; Y53-G83 WeakPolarHBondContact CA-O 3.31Å; Y53-N121 CarbonylContact O-C 3.46Å; Y53-N121 VanDerWaalsContact O-CA 3.31Å; Y53-N121 WeakPolarHBondContact O-CA 3.33Å; Y53-V122 PolarHBondContact N-O 2.69Å; Y53-V122 PolarHBondContact O-N 2.89Å; Y53-T124 HydrophobicContact CE2-CG2 4.15Å; Y53-F209 AromaticContact CD1-CE1 3.99Å; Y53-F209 HydrophobicContact CD1-CE1 3.99Å; Y53-F209 AromaticContact CD2-CD1 3.75Å; Y53-F209 HydrophobicContact CD2-CD1 3.75Å; Y53-F209 AromaticContact CD2-CE1 3.74Å; Y53-F209 HydrophobicContact CD2-CE1 3.74Å; Y53-F209 HydrophobicContact CE1-CE1 4.3Å; Y53-F209 AromaticContact CE2-CD1 3.85Å; Y53-F209 HydrophobicContact CE2-CD1 3.85Å; Y53-F209 HydrophobicContact CE2-CE1 4.1Å; Y53-F209 HydrophobicContact CG-CD1 4.22Å; Y53-F209 AromaticContact CG-CE1 3.7Å; Y53-F209 HydrophobicContact CG-CE1 3.7Å
54	L	98.5	Very high	96.7	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	148.8	-175.2	-54.8	-176.7	0	0	0	110.5	R52 I56 G83 Q85 Q86 N121	R52-L54 HydrophobicContact CG-CD1 4.42Å; R52-L54 HydrophobicContact CG-CD2 3.63Å; R52-L54 HydrophobicContact CG-CG 3.87Å; L54-I56 PolarHBondContact O-N 2.73Å; L54-G83 PolarHBondContact N-O 2.72Å; L54-G83 WeakPolarHBondContact O-CA 3.37Å; L54-Q85 VanDerWaalsContact CB-O 3.26Å; L54-Q85 WeakPolarHBondContact CB-O 3.41Å; L54-Q86 HydrophobicContact CD1-CG 4.2Å; L54-N121 VanDerWaalsContact CA-OD1 3.27Å; L54-N121 WeakPolarHBondContact CA-OD1 3.38Å; L54-N121 HydrophobicContact CD2-CB 3.77Å
55	G	98.1	Very high	96.7	Very high	10 Å²	10	44.7 Å²	44.7	10%	0.103	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.2	36.9	171	0	0	0	0	0	114.5	P57 Y119 L120 N121	G55-P57 WeakPolarHBondContact O-CD 3.37Å; G55-Y119 VanDerWaalsContact O-CD1 3.22Å; G55-Y119 WeakPolarHBondContact O-CD1 3.39Å; G55-L120 PolarHBondContact N-O 3.27Å; G55-N121 PolarHBondContact N-OD1 3.03Å
56	I	98.6	Very high	96.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121	174.4	-60.6	155.4	0	0	0	109.1	L31 I36 L54 F58 Y119 L120 V122 W201 F209	L31-I56 HydrophobicContact CD1-CG2 3.98Å; I36-I56 HydrophobicContact CD1-CB 4.36Å; I36-I56 HydrophobicContact CD1-CD1 4.25Å; I36-I56 HydrophobicContact CD1-CG1 3.28Å; L54-I56 PolarHBondContact O-N 2.73Å; I56-F58 PolarHBondContact O-N 2.92Å; I56-Y119 CarbonylContact O-C 3.48Å; I56-Y119 VanDerWaalsContact O-CA 3.27Å; I56-Y119 WeakPolarHBondContact O-CA 3.36Å; I56-L120 HydrophobicContact CB-CD1 3.87Å; I56-L120 HydrophobicContact CB-CG 4.4Å; I56-L120 HydrophobicContact CD1-CD1 3.88Å; I56-L120 HydrophobicContact CG1-CD1 4.46Å; I56-L120 HydrophobicContact CG2-CD1 4.33Å; I56-L120 PolarHBondContact N-O 2.9Å; I56-L120 PolarHBondContact O-N 2.88Å; I56-V122 HydrophobicContact CD1-CB 4.19Å; I56-V122 HydrophobicContact CD1-CG2 3.68Å; I56-W201 HydrophobicContact CD1-CH2 4.19Å; I56-W201 HydrophobicContact CD1-CZ2 4.43Å; I56-W201 HydrophobicContact CG2-CH2 4.34Å; I56-W201 HydrophobicContact CG2-CZ2 3.58Å; I56-F209 HydrophobicContact CD1-CE1 4.25Å; I56-F209 HydrophobicContact CD1-CZ 3.9Å
57	P	98.4	Very high	96.9	Very high	9 Å²	9	42.1 Å²	42.1	6%	0.058	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	125.2	176.1	31.2	-37.5	0	0	0	110.2	G55 P74 W77 Y119	G55-P57 WeakPolarHBondContact O-CD 3.37Å; P57-P74 HydrophobicContact CB-CB 4.39Å; P57-W77 HydrophobicContact CG-CE3 4.25Å; P57-W77 HydrophobicContact CG-CH2 4.14Å; P57-W77 HydrophobicContact CG-CZ3 3.59Å; P57-Y119 HydrophobicContact CB-CD1 4.07Å; P57-Y119 HydrophobicContact CB-CE1 3.85Å
58	F	98.6	Very high	96.9	Very high	6 Å²	6	33 Å²	33	3%	0.026	18%	0.178	C	C	.	.			trans	-105.1	-8.8	174.3	70	-101.2	0	0	0	113.1	I56 P74 L118 Y119 L120 Q170 D194 A197 A198 W201	I56-F58 PolarHBondContact O-N 2.92Å; F58-P74 WeakPolarHBondContact O-CD 3.17Å; F58-L118 WeakPolarHBondContact CD1-O 3.37Å; F58-L118 HydrophobicContact CE1-CB 4.16Å; F58-L118 HydrophobicContact CE2-CB 4.16Å; F58-L118 HydrophobicContact CZ-CB 3.83Å; F58-L118 HydrophobicContact CZ-CD2 4.02Å; F58-L118 HydrophobicContact CZ-CG 4.44Å; F58-L118 PolarHBondContact N-O 3.06Å; F58-Y119 WeakPolarHBondContact CE1-O 3.37Å; F58-L120 HydrophobicContact CB-CD2 3.71Å; F58-L120 HydrophobicContact CB-CG 4.33Å; F58-L120 HydrophobicContact CD1-CB 4.13Å; F58-L120 HydrophobicContact CD1-CD2 3.89Å; F58-L120 HydrophobicContact CD1-CG 4.08Å; F58-L120 HydrophobicContact CG-CD2 4.09Å; F58-Q170 WeakPolarHBondContact CE1-O 3.44Å; F58-Q170 VanDerWaalsContact CZ-O 3.25Å; F58-Q170 WeakPolarHBondContact CZ-O 3.4Å; F58-D194 HydrophobicContact CE2-CB 4.3Å; F58-D194 VanDerWaalsContact CE2-O 3.26Å; F58-D194 WeakPolarHBondContact CE2-O 3.23Å; F58-D194 HydrophobicContact CZ-CB 4.31Å; F58-A197 HydrophobicContact CD2-CB 4.16Å; F58-A197 HydrophobicContact CE2-CB 4.22Å; F58-A198 HydrophobicContact CD1-CB 4.16Å; F58-A198 HydrophobicContact CD2-CB 3.87Å; F58-A198 HydrophobicContact CE1-CB 4.2Å; F58-A198 HydrophobicContact CE2-CB 3.94Å; F58-A198 HydrophobicContact CG-CB 4Å; F58-A198 HydrophobicContact CZ-CB 4.1Å; F58-W201 HydrophobicContact CB-CB 3.91Å; F58-W201 HydrophobicContact CB-CG 3.85Å
59	A	98.5	Very high	97	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.033	17%	0.167	C	C	.	.	S	Bend	trans	-150.3	167.4	176.9	0	0	0	0	0	110.9	P71 E72 L118	A59-P71 HydrophobicContact CB-CB 3.9Å; A59-E72 CarbonylContact C-O 3.49Å; A59-E72 WeakPolarHBondContact CA-O 3.38Å; A59-E72 WeakPolarHBondContact CB-O 3.38Å; A59-L118 HydrophobicContact CB-CB 4.03Å; A59-L118 HydrophobicContact CB-CD1 3.69Å
60	K	98.3	Very high	97.1	Very high	48 Å²	48	26.7 Å²	26.7	21%	0.209	17%	0.171	C	C	.	.			trans	-66.3	150.4	170.5	-57.6	-166.5	-169.3	175.8	0	111	P62 L66 E72 S73 E75	K60-P62 WeakPolarHBondContact O-CD 3.38Å; K60-L66 HydrophobicContact CB-CD1 4.11Å; K60-L66 HydrophobicContact CD-CD1 4.46Å; K60-E72 HydrophobicContact CB-CB 4.37Å; K60-E72 HydrophobicContact CD-CB 3.86Å; K60-E72 WeakPolarHBondContact CD-OE2 3.44Å; K60-E72 WeakPolarHBondContact CE-OE2 3.44Å; K60-E72 HydrophobicContact CG-CB 3.92Å; K60-E72 PolarHBondContact N-O 3.33Å; K60-E72 IonicContact NZ-OE2 2.73Å; K60-E72 PolarHBondContact NZ-OE2 2.83Å; K60-S73 WeakPolarHBondContact CE-O 3.45Å; K60-S73 WeakPolarHBondContact CG-O 3.41Å; K60-E75 HydrophobicContact CD-CG 4.25Å; K60-E75 WeakPolarHBondContact CE-OE1 3.41Å; K60-E75 HydrophobicContact CG-CG 4.49Å; K60-E75 IonicContact NZ-OE1 2.6Å; K60-E75 PolarHBondContact NZ-OE1 2.74Å
61	P	98.2	Very high	97.1	Very high	51 Å²	51	28.1 Å²	28.1	33%	0.331	18%	0.18	S	C	.	.			trans	-55.1	122.8	171.1	-24.5	33.8	0	0	0	111	V63 D116	P61-V63 HydrophobicContact CB-CG1 4.36Å; P61-V63 HydrophobicContact CB-CG2 4.23Å; P61-V63 PolarHBondContact O-N 3.4Å; P61-D116 HydrophobicContact CB-CB 3.93Å; P61-D116 HydrophobicContact CG-CB 4.4Å; P61-D116 WeakPolarHBondContact CG-OD1 3.09Å
62	P	97.8	Very high	97.1	Very high	5 Å²	5	31 Å²	31	3%	0.032	19%	0.194	C	C	.	.			trans	-80.4	48.7	-175.3	34.1	-38.2	0	0	0	112.6	K60 L66 R67 E115 L118 R172	K60-P62 WeakPolarHBondContact O-CD 3.38Å; P62-L66 CarbonylContact O-C 3.5Å; P62-R67 WeakPolarHBondContact O-CA 3.25Å; P62-R67 PolarHBondContact O-N 3.4Å; P62-E115 VanDerWaalsContact CD-O 3.23Å; P62-E115 WeakPolarHBondContact CD-O 3.35Å; P62-E115 VanDerWaalsContact CG-O 3.26Å; P62-E115 WeakPolarHBondContact CG-O 3.49Å; P62-L118 HydrophobicContact CB-CD1 4.27Å; P62-L118 HydrophobicContact CG-CD1 3.9Å; P62-L118 HydrophobicContact CG-CG 4.03Å; P62-R172 HydrophobicContact CG-CG 4.14Å
63	V	96.8	Very high	97	Very high	68 Å²	68	34.5 Å²	34.5	41%	0.412	22%	0.222	S	C	.	.			trans	-99.4	157.9	-175.1	-62.5	0	0	0	0	112.3	P61 L66 E115	P61-V63 HydrophobicContact CB-CG1 4.36Å; P61-V63 HydrophobicContact CB-CG2 4.23Å; P61-V63 PolarHBondContact O-N 3.4Å; V63-L66 PolarHBondContact O-N 2.86Å; V63-E115 HydrophobicContact CG1-CB 3.77Å
64	G	92.6	Very high	96.8	Very high	41 Å²	41	35.6 Å²	35.6	42%	0.423	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	57.7	-121	175.1	0	0	0	0	0	111.9	L66 R67	G64-L66 PolarHBondContact O-N 2.96Å; G64-R67 VanDerWaalsContact O-CB 3.26Å; G64-R67 WeakPolarHBondContact O-CB 3.36Å; G64-R67 PolarHBondContact O-N 2.98Å; G64-R67 VanDerWaalsContact O-N 3.11Å
65	P	92.1	Very high	96.5	Very high	120 Å²	120	41.1 Å²	41.1	78%	0.779	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-61	-24.4	177.7	-22.3	33.8	0	0	0	114.7	R67	P65-R67 VanDerWaalsContact C-N 3.26Å; P65-R67 PolarHBondContact O-N 2.96Å
66	L	96.6	Very high	96.4	Very high	38 Å²	38	45.2 Å²	45.2	20%	0.199	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-83.3	-2.6	178.7	-62.8	178.5	0	0	0	113	K60 P62 V63 G64 M68 A69 E72	K60-L66 HydrophobicContact CB-CD1 4.11Å; K60-L66 HydrophobicContact CD-CD1 4.46Å; P62-L66 CarbonylContact O-C 3.5Å; V63-L66 PolarHBondContact O-N 2.86Å; G64-L66 PolarHBondContact O-N 2.96Å; L66-M68 PolarHBondContact O-N 3.11Å; L66-A69 PolarHBondContact O-N 2.93Å; L66-E72 HydrophobicContact CD2-CG 4.23Å; L66-E72 WeakPolarHBondContact CD2-OE1 3Å
67	R	96.1	Very high	96.2	Very high	22 Å²	22	47.3 Å²	47.3	8%	0.083	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	130.6	172.9	-167.7	-173.4	-72.2	168.9	1.3	109.8	P62 G64 P65 A69 E115 L176 L286 R287 K289	P62-R67 WeakPolarHBondContact O-CA 3.25Å; P62-R67 PolarHBondContact O-N 3.4Å; G64-R67 VanDerWaalsContact O-CB 3.26Å; G64-R67 WeakPolarHBondContact O-CB 3.36Å; G64-R67 PolarHBondContact O-N 2.98Å; G64-R67 VanDerWaalsContact O-N 3.11Å; P65-R67 VanDerWaalsContact C-N 3.26Å; P65-R67 PolarHBondContact O-N 2.96Å; R67-A69 VanDerWaalsContact C-N 3.3Å; R67-A69 PolarHBondContact O-N 2.71Å; R67-E115 IonicContact CZ-OE1 3.59Å; R67-E115 IonicContact CZ-OE2 3.45Å; R67-E115 IonicContact NE-OE1 3.81Å; R67-E115 IonicContact NE-OE2 3.12Å; R67-E115 PolarHBondContact NE-OE2 2.88Å; R67-E115 IonicContact NH2-OE1 3.54Å; R67-E115 PolarHBondContact NH2-OE1 2.82Å; R67-E115 IonicContact NH2-OE2 3.26Å; R67-E115 PolarHBondContact NH2-OE2 2.98Å; R67-L176 HydrophobicContact CG-CD2 3.68Å; R67-L286 PolarHBondContact NH1-O 3.14Å; R67-R287 HydrophobicContact CB-CG 4.44Å; R67-R287 PolarHBondContact NH1-O 3.48Å; R67-R287 PolarHBondContact O-NE 3.12Å; R67-R287 PolarHBondContact O-NH2 3.34Å; R67-K289 PolarHBondContact NH1-O 3.32Å; R67-K289 PolarHBondContact NH2-O 3.16Å
68	M	94.1	Very high	96	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	49.1	-174.7	-58.8	167.6	-175.9	0	0	111.5	L66 I175 L176 L179 W190 L286 R287 F294	L66-M68 PolarHBondContact O-N 3.11Å; M68-I175 HydrophobicContact CE-CG2 3.59Å; M68-L176 HydrophobicContact CE-CD2 4.33Å; M68-L179 HydrophobicContact CE-CB 4.43Å; M68-L179 HydrophobicContact CE-CD2 3.8Å; M68-L179 HydrophobicContact SD-CD2 3.62Å; M68-W190 HydrophobicContact CB-CZ2 4.44Å; M68-W190 WeakPolarHBondContact O-CZ2 3.22Å; M68-L286 HydrophobicContact CE-CB 3.97Å; M68-L286 HydrophobicContact CE-CD1 4.43Å; M68-L286 HydrophobicContact SD-CB 4.37Å; M68-R287 PolarHBondContact O-NH2 2.95Å; M68-F294 HydrophobicContact CE-CZ 4.4Å
69	A	95.8	Very high	95.8	Very high	23 Å²	23	58.3 Å²	58.3	19%	0.19	35%	0.352	C	S	.	.	S	Bend	trans	-136.7	161.8	172.8	0	0	0	0	0	109.5	L66 R67 R172 W190	L66-A69 PolarHBondContact O-N 2.93Å; R67-A69 VanDerWaalsContact C-N 3.3Å; R67-A69 PolarHBondContact O-N 2.71Å; A69-R172 VanDerWaalsContact O-CZ 3.3Å; A69-R172 PolarHBondContact O-NH1 3.45Å; A69-R172 PolarHBondContact O-NH2 3.21Å; A69-W190 VanDerWaalsContact C-CE3 3.4Å
70	A	97.5	Very high	95.6	Very high	54 Å²	54	62.3 Å²	62.3	45%	0.446	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-58.7	143.6	174.7	0	0	0	0	0	110.8	L193	A70-L193 HydrophobicContact CB-CD1 4.13Å
71	P	98.3	Very high	95.5	Very high	30 Å²	30	64.2 Å²	64.2	20%	0.195	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-64.6	138.7	177.2	28.3	-34.2	0	0	0	110.9	A59 L118 L193 D194 A197	A59-P71 HydrophobicContact CB-CB 3.9Å; P71-L118 HydrophobicContact CB-CD1 4.25Å; P71-L193 HydrophobicContact CG-CB 4.21Å; P71-L193 WeakPolarHBondContact CG-O 3.34Å; P71-D194 WeakPolarHBondContact CB-OD1 3.13Å; P71-D194 WeakPolarHBondContact CG-OD1 3.41Å; P71-A197 HydrophobicContact CB-CB 4.19Å; P71-A197 HydrophobicContact CG-CB 3.72Å
72	E	98.1	Very high	95.5	Very high	89 Å²	89	66.6 Å²	66.6	42%	0.416	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-99.5	155	173.4	-67.7	-172	-175.9	0	0	111.1	A59 K60 L66	A59-E72 CarbonylContact C-O 3.49Å; A59-E72 WeakPolarHBondContact CA-O 3.38Å; A59-E72 WeakPolarHBondContact CB-O 3.38Å; K60-E72 HydrophobicContact CB-CB 4.37Å; K60-E72 HydrophobicContact CD-CB 3.86Å; K60-E72 WeakPolarHBondContact CD-OE2 3.44Å; K60-E72 WeakPolarHBondContact CE-OE2 3.44Å; K60-E72 HydrophobicContact CG-CB 3.92Å; K60-E72 PolarHBondContact N-O 3.33Å; K60-E72 IonicContact NZ-OE2 2.73Å; K60-E72 PolarHBondContact NZ-OE2 2.83Å; L66-E72 HydrophobicContact CD2-CG 4.23Å; L66-E72 WeakPolarHBondContact CD2-OE1 3Å
73	S	95.9	Very high	95.5	Very high	98 Å²	98	66.3 Å²	66.3	69%	0.685	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-55.2	140.3	175.6	-58.9	0	0	0	0	112	K60	K60-S73 WeakPolarHBondContact CE-O 3.45Å; K60-S73 WeakPolarHBondContact CG-O 3.41Å
74	P	94.7	Very high	95.5	Very high	27 Å²	27	64.8 Å²	64.8	18%	0.175	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-63.8	144.4	-176.3	28.5	-33.2	0	0	0	110.5	P57 F58	P57-P74 HydrophobicContact CB-CB 4.39Å; F58-P74 WeakPolarHBondContact O-CD 3.17Å
75	E	91.8	Very high	95.7	Very high	119 Å²	119	69 Å²	69	56%	0.556	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-66.2	135.2	172.9	-65.3	-64.7	166.2	0	0	109.7	K60	K60-E75 HydrophobicContact CD-CG 4.25Å; K60-E75 WeakPolarHBondContact CE-OE1 3.41Å; K60-E75 HydrophobicContact CG-CG 4.49Å; K60-E75 IonicContact NZ-OE1 2.6Å; K60-E75 PolarHBondContact NZ-OE1 2.74Å
76	P	95	Very high	95.9	Very high	96 Å²	96	65.3 Å²	65.3	62%	0.623	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-60.5	144.4	171.3	-21.2	32.4	0	0	0	111.4	S33	S33-P76 CarbonylContact O-C 3.59Å; S33-P76 WeakPolarHBondContact O-CA 3.18Å
77	W	95.4	Very high	95.8	Very high	43 Å²	43	64 Å²	64	16%	0.163	35%	0.35	C	S	.	.			trans	-116.1	148.7	173.4	66.9	89.5	0	0	0	111.5	L31 S33 Q35 P57	L31-W77 HydrophobicContact CD1-CH2 4.04Å; L31-W77 HydrophobicContact CD1-CZ2 4.42Å; S33-W77 VanDerWaalsContact CB-CZ3 3.45Å; S33-W77 PolarHBondContact O-N 2.93Å; S33-W77 WeakPolarHBondContact OG-CH2 3.23Å; S33-W77 WeakPolarHBondContact OG-CZ3 3.28Å; Q35-W77 PolarHBondContact O-NE1 3.37Å; P57-W77 HydrophobicContact CG-CE3 4.25Å; P57-W77 HydrophobicContact CG-CH2 4.14Å; P57-W77 HydrophobicContact CG-CZ3 3.59Å
78	E	94.8	Very high	95.9	Very high	197 Å²	197	65 Å²	65	92%	0.921	36%	0.359	S	S	*	.	S	Bend	trans	-87.6	150.6	173.1	-66	-171.1	169.9	0	0	111.3
79	G	93.4	Very high	96.1	Very high	50 Å²	50	65 Å²	65	52%	0.515	36%	0.359	S	S	.	.	S	Bend	trans	73.2	-158.5	179.9	0	0	0	0	0	113.3
80	E	95.4	Very high	96.3	Very high	87 Å²	87	64 Å²	64	41%	0.407	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.5	-175.4	-171.2	-169	95.2	0	0	109.4	V28 R37	V28-E80 HydrophobicContact CG1-CG 4.37Å; V28-E80 VanDerWaalsContact CG2-OE2 3.25Å; V28-E80 WeakPolarHBondContact CG2-OE2 3.35Å; R37-E80 HydrophobicContact CB-CG 3.9Å; R37-E80 WeakPolarHBondContact CB-OE1 3.45Å; R37-E80 WeakPolarHBondContact CD-OE1 3.49Å; R37-E80 IonicContact CZ-OE1 3.51Å; R37-E80 VanDerWaalsContact CZ-OE1 3.3Å; R37-E80 IonicContact CZ-OE2 3Å; R37-E80 VanDerWaalsContact NE-CD 3.34Å; R37-E80 IonicContact NE-OE1 3.05Å; R37-E80 PolarHBondContact NE-OE1 3.25Å; R37-E80 IonicContact NE-OE2 3.33Å; R37-E80 VanDerWaalsContact NH2-CD 3.32Å; R37-E80 IonicContact NH2-OE1 3.06Å; R37-E80 PolarHBondContact NH2-OE1 3.05Å; R37-E80 IonicContact NH2-OE2 2.92Å; R37-E80 PolarHBondContact NH2-OE2 3.37Å
81	R	96.2	Very high	96.3	Very high	89 Å²	89	62 Å²	62	34%	0.336	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	138.9	175.8	-167	171.8	-168.7	162.6	-0.6	109.8	Q35 I36 R37 G83	Q35-R81 PolarHBondContact O-N 2.82Å; I36-R81 WeakPolarHBondContact CA-O 3.42Å; R37-R81 PolarHBondContact N-O 2.98Å; R81-G83 PolarHBondContact O-N 3.17Å
82	D	97.4	Very high	96.2	Very high	100 Å²	100	60.7 Å²	60.7	54%	0.535	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	119	170.8	-176.5	7.5	0	0	0	110.1	T84	D82-T84 WeakPolarHBondContact OD1-CG2 3.43Å; D82-T84 PolarHBondContact OD1-N 3.35Å; D82-T84 PolarHBondContact OD1-OG1 2.93Å; D82-T84 VanDerWaalsContact OD1-OG1 3.05Å
83	G	97.6	Very high	96	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.311	C	S	.	.			trans	-110.5	29.5	178.4	0	0	0	0	0	113	R37 Y53 L54 R81	R37-G83 CarbonylContact O-C 3.52Å; R37-G83 WeakPolarHBondContact O-CA 3.39Å; R37-G83 PolarHBondContact O-N 3.42Å; Y53-G83 CarbonylContact C-O 3.53Å; Y53-G83 WeakPolarHBondContact CA-O 3.31Å; L54-G83 PolarHBondContact N-O 2.72Å; L54-G83 WeakPolarHBondContact O-CA 3.37Å; R81-G83 PolarHBondContact O-N 3.17Å
84	T	96.9	Very high	95.8	Very high	35 Å²	35	56.2 Å²	56.2	22%	0.215	29%	0.293	C	S	.	.	S	Bend	trans	-102.8	1.4	177.6	73	0	0	0	0	113.8	E39 D82	E39-T84 HydrophobicContact CB-CG2 3.85Å; E39-T84 HydrophobicContact CG-CG2 4.21Å; E39-T84 WeakPolarHBondContact OE1-CB 3.31Å; D82-T84 WeakPolarHBondContact OD1-CG2 3.43Å; D82-T84 PolarHBondContact OD1-N 3.35Å; D82-T84 PolarHBondContact OD1-OG1 2.93Å; D82-T84 VanDerWaalsContact OD1-OG1 3.05Å
85	Q	96	Very high	95.7	Very high	131 Å²	131	60.1 Å²	60.1	61%	0.612	31%	0.309	S	S	*	.	S	Bend	trans	-118	139.2	-173.5	-59.6	-70.9	68.2	0	0	111.6	L54	L54-Q85 VanDerWaalsContact CB-O 3.26Å; L54-Q85 WeakPolarHBondContact CB-O 3.41Å
86	Q	96.6	Very high	95.5	Very high	42 Å²	42	57.2 Å²	57.2	20%	0.196	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-65.8	138.9	174.7	-72.1	-68.1	-1	0	0	110.7	L54 P111 N121 H468	L54-Q86 HydrophobicContact CD1-CG 4.2Å; Q86-P111 HydrophobicContact CB-CG 4.36Å; Q86-N121 PolarHBondContact OE1-ND2 3.42Å; Q86-H468 PolarHBondContact NE2-CD2 2.92Å; Q86-H468 PolarHBondContact NE2-CE1 2.82Å; Q86-H468 PolarHBondContact NE2-NE2 3.27Å
87	P	95.6	Very high	95.4	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.071	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-74.1	166	174.3	33.7	-34.9	0	0	0	111.1	Y119	P87-Y119 HydrophobicContact CB-CD1 4.27Å; P87-Y119 HydrophobicContact CB-CD2 3.56Å; P87-Y119 HydrophobicContact CB-CE2 4.31Å; P87-Y119 HydrophobicContact CB-CG 3.57Å; P87-Y119 HydrophobicContact CG-CD2 4.38Å; P87-Y119 HydrophobicContact CG-CG 4.11Å
88	P	98.1	Very high	95.2	Very high	43 Å²	43	53.5 Å²	53.5	28%	0.279	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-56.5	145.2	167.1	-23.5	34.5	0	0	0	111.8	E112 Q170	P88-E112 CarbonylContact C-O 3.6Å; P88-E112 VanDerWaalsContact CA-O 3.25Å; P88-E112 WeakPolarHBondContact CA-O 3.48Å; P88-E112 WeakPolarHBondContact CB-O 3.38Å; P88-Q170 PolarHBondContact O-NE2 2.86Å
89	M	98.3	Very high	94.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	155.6	169.2	-54	-170.8	-58.8	0	0	110	Q94 V97 V110 P111 E112 V113 S114 A149	M89-Q94 HydrophobicContact CE-CG 3.98Å; M89-V97 HydrophobicContact CE-CG2 4.46Å; M89-V97 HydrophobicContact SD-CG1 4.39Å; M89-V110 HydrophobicContact CE-CG1 3.37Å; M89-V110 HydrophobicContact SD-CG1 4.16Å; M89-P111 HydrophobicContact CG-CB 4.14Å; M89-P111 HydrophobicContact CG-CG 4.19Å; M89-E112 PolarHBondContact N-O 2.88Å; M89-V113 HydrophobicContact CB-CG1 4.15Å; M89-V113 HydrophobicContact CE-CG1 4.04Å; M89-V113 CarbonylContact O-C 3.41Å; M89-V113 VanDerWaalsContact O-CA 3.3Å; M89-V113 WeakPolarHBondContact O-CA 3.37Å; M89-S114 PolarHBondContact O-N 3.37Å; M89-A149 HydrophobicContact CB-CB 4Å; M89-A149 HydrophobicContact CG-CB 3.44Å; M89-A149 VanDerWaalsContact CG-CB 3.44Å; M89-A149 HydrophobicContact SD-CB 3.45Å; M89-A149 WeakPolarHBondContact SD-CB 3.48Å
90	C	98.4	Very high	94.6	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	151.5	170.5	-63.4	0	0	0	0	111.3	Q92 C117 Y171 L173	C90-Q92 VanDerWaalsContact O-CG 3.29Å; C90-Q92 WeakPolarHBondContact O-CG 3.3Å; C90-Q92 PolarHBondContact O-N 2.85Å; C90-Q92 VanDerWaalsContact O-N 3.14Å; C90-Q92 PolarHBondContact O-NE2 2.97Å; C90-C117 VanDerWaalsContact CA-CB 3.47Å; C90-C117 WeakPolarHBondContact CA-SG 3.48Å; C90-C117 HydrophobicContact CB-CB 3.81Å; C90-C117 WeakPolarHBondContact CB-SG 3.42Å; C90-C117 WeakPolarHBondContact SG-CB 3.16Å; C90-C117 CovalentContact SG-SG 2.04Å; C90-C117 PolarHBondContact SG-SG 3.48Å; C90-Y171 PolarHBondContact SG-O 3.26Å; C90-L173 HydrophobicContact CB-CD1 4.11Å; C90-L173 HydrophobicContact CB-CG 4.22Å
91	V	97.8	Very high	94.4	Very high	14 Å²	14	45.2 Å²	45.2	9%	0.085	23%	0.23	C	C	.	.	S	Bend	trans	-48.5	117.2	179	178.6	0	0	0	0	112	S114 E115 L176 Q291 F294 I295	V91-S114 PolarHBondContact N-O 3.48Å; V91-E115 HydrophobicContact CG2-CG 3.7Å; V91-L176 HydrophobicContact CB-CD1 3.81Å; V91-L176 HydrophobicContact CG1-CD1 4.19Å; V91-L176 HydrophobicContact CG2-CD1 3.93Å; V91-Q291 HydrophobicContact CB-CG 4.36Å; V91-Q291 HydrophobicContact CG1-CG 3.76Å; V91-Q291 HydrophobicContact CG2-CB 4.49Å; V91-Q291 HydrophobicContact CG2-CG 3.7Å; V91-Q291 VanDerWaalsContact CG2-OE1 3.3Å; V91-F294 HydrophobicContact CG1-CB 4.25Å; V91-I295 HydrophobicContact CG1-CD1 4.27Å; V91-I295 HydrophobicContact CG1-CG1 3.71Å
92	Q	95.9	Very high	94	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	24%	0.238	C	C	.	.	S	Bend	trans	-163.9	175.2	-177.7	67.3	-167.8	-84.3	0	0	110.3	C90 Q94 V113 M147 G148 L173	C90-Q92 VanDerWaalsContact O-CG 3.29Å; C90-Q92 WeakPolarHBondContact O-CG 3.3Å; C90-Q92 PolarHBondContact O-N 2.85Å; C90-Q92 VanDerWaalsContact O-N 3.14Å; C90-Q92 PolarHBondContact O-NE2 2.97Å; Q92-Q94 PolarHBondContact O-N 2.81Å; Q92-V113 HydrophobicContact CG-CG1 4.05Å; Q92-M147 HydrophobicContact CB-CB 4.5Å; Q92-M147 VanDerWaalsContact OE1-CB 3.31Å; Q92-G148 PolarHBondContact NE2-O 2.6Å; Q92-L173 HydrophobicContact CB-CD1 4.48Å
93	D	94.3	Very high	93.5	Very high	23 Å²	23	42 Å²	42	12%	0.123	22%	0.222	C	C	.	.			trans	-77.5	104.2	169.8	-175.9	9.7	0	0	0	111.8	E95 V96 K299	D93-E95 PolarHBondContact O-N 2.68Å; D93-E95 VanDerWaalsContact OD1-CB 3.28Å; D93-E95 WeakPolarHBondContact OD1-CB 3.4Å; D93-E95 PolarHBondContact OD1-N 3.25Å; D93-V96 HydrophobicContact CB-CG2 4.2Å; D93-V96 PolarHBondContact O-N 3.14Å; D93-V96 WeakPolarHBondContact OD2-CG2 3.3Å; D93-K299 HydrophobicContact CB-CG 4.15Å; D93-K299 WeakPolarHBondContact OD1-CE 3.31Å; D93-K299 IonicContact OD1-NZ 3.17Å; D93-K299 PolarHBondContact OD1-NZ 2.74Å; D93-K299 WeakPolarHBondContact OD2-CE 3.19Å; D93-K299 WeakPolarHBondContact OD2-CG 3.36Å
94	Q	92.9	Very high	93	Very high	69 Å²	69	43.1 Å²	43.1	32%	0.322	23%	0.227	S	C	.	.	H	α-helix	trans	-62.7	-26.8	177.8	-67	176.1	-73.7	0	0	113.2	M89 Q92 V96 V97 V98 P111 V113	M89-Q94 HydrophobicContact CE-CG 3.98Å; Q92-Q94 PolarHBondContact O-N 2.81Å; Q94-V96 VanDerWaalsContact C-N 3.29Å; Q94-V96 PolarHBondContact O-N 3.36Å; Q94-V97 WeakPolarHBondContact O-CB 3.4Å; Q94-V97 PolarHBondContact O-N 3.26Å; Q94-V98 WeakPolarHBondContact O-CG2 3.43Å; Q94-V98 PolarHBondContact O-N 2.87Å; Q94-P111 PolarHBondContact NE2-O 2.81Å; Q94-V113 HydrophobicContact CG-CB 4.41Å; Q94-V113 HydrophobicContact CG-CG1 3.43Å; Q94-V113 VanDerWaalsContact CG-CG1 3.43Å; Q94-V113 HydrophobicContact CG-CG2 4.13Å
95	E	91.8	Very high	92.6	Very high	110 Å²	110	41.7 Å²	41.7	51%	0.514	22%	0.219	S	C	.	.	H	α-helix	trans	-64.6	-37.2	-177.5	-169.5	175.8	172.3	0	0	111.3	D93 V97 V98 N99 K299	D93-E95 PolarHBondContact O-N 2.68Å; D93-E95 VanDerWaalsContact OD1-CB 3.28Å; D93-E95 WeakPolarHBondContact OD1-CB 3.4Å; D93-E95 PolarHBondContact OD1-N 3.25Å; E95-V97 VanDerWaalsContact C-N 3.34Å; E95-V97 PolarHBondContact O-N 2.85Å; E95-V98 PolarHBondContact O-N 2.88Å; E95-N99 WeakPolarHBondContact O-CB 3.26Å; E95-N99 PolarHBondContact O-N 2.92Å; E95-N99 PolarHBondContact O-ND2 2.82Å; E95-K299 IonicContact OE2-NZ 2.71Å; E95-K299 PolarHBondContact OE2-NZ 2.87Å
96	V	88.4	Confident	92.4	Very high	58 Å²	58	36.8 Å²	36.8	35%	0.352	20%	0.196	S	C	.	.	H	α-helix	trans	-65	-39.8	175.7	-176.8	0	0	0	0	111.1	D93 Q94 N99 F100 M147	D93-V96 HydrophobicContact CB-CG2 4.2Å; D93-V96 PolarHBondContact O-N 3.14Å; D93-V96 WeakPolarHBondContact OD2-CG2 3.3Å; Q94-V96 VanDerWaalsContact C-N 3.29Å; Q94-V96 PolarHBondContact O-N 3.36Å; V96-N99 PolarHBondContact O-N 3.04Å; V96-F100 VanDerWaalsContact O-CB 3.31Å; V96-F100 WeakPolarHBondContact O-CB 3.4Å; V96-F100 PolarHBondContact O-N 3.18Å; V96-M147 HydrophobicContact CB-SD 4.1Å; V96-M147 HydrophobicContact CG1-CE 4.05Å; V96-M147 HydrophobicContact CG1-SD 3.32Å; V96-M147 WeakPolarHBondContact CG1-SD 3.38Å
97	V	91.1	Very high	92.1	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-42.3	177.2	178.6	0	0	0	0	111.4	M89 Q94 E95 S101 F108 V110	M89-V97 HydrophobicContact CE-CG2 4.46Å; M89-V97 HydrophobicContact SD-CG1 4.39Å; Q94-V97 WeakPolarHBondContact O-CB 3.4Å; Q94-V97 PolarHBondContact O-N 3.26Å; E95-V97 VanDerWaalsContact C-N 3.34Å; E95-V97 PolarHBondContact O-N 2.85Å; V97-S101 WeakPolarHBondContact O-CB 3.37Å; V97-S101 PolarHBondContact O-N 3.45Å; V97-S101 PolarHBondContact O-OG 2.95Å; V97-F108 HydrophobicContact CG1-CE1 3.98Å; V97-V110 HydrophobicContact CB-CG1 4.46Å; V97-V110 HydrophobicContact CG1-CG1 4.08Å; V97-V110 HydrophobicContact CG1-CG2 4.1Å
98	V	91.3	Very high	91.9	Very high	58 Å²	58	38.4 Å²	38.4	35%	0.352	20%	0.204	S	C	.	.	H	α-helix	trans	-61.4	-51.1	174.8	172.4	0	0	0	0	110.4	Q94 E95 F100 S101 I102 V110	Q94-V98 WeakPolarHBondContact O-CG2 3.43Å; Q94-V98 PolarHBondContact O-N 2.87Å; E95-V98 PolarHBondContact O-N 2.88Å; V98-F100 VanDerWaalsContact C-N 3.32Å; V98-F100 PolarHBondContact O-N 3.29Å; V98-S101 PolarHBondContact O-N 3.49Å; V98-S101 VanDerWaalsContact O-N 3.16Å; V98-I102 HydrophobicContact CG1-CD1 3.91Å; V98-I102 WeakPolarHBondContact O-CG1 3.37Å; V98-I102 PolarHBondContact O-N 2.92Å; V98-V110 HydrophobicContact CG2-CB 4.28Å; V98-V110 HydrophobicContact CG2-CG2 3.66Å
99	N	89.3	Confident	91.5	Very high	88 Å²	88	41.9 Å²	41.9	47%	0.471	23%	0.225	S	C	.	.	H	α-helix	trans	-62.1	-40.4	-177.9	-71.7	-23.6	0	0	0	112	E95 V96 I102 A103	E95-N99 WeakPolarHBondContact O-CB 3.26Å; E95-N99 PolarHBondContact O-N 2.92Å; E95-N99 PolarHBondContact O-ND2 2.82Å; V96-N99 PolarHBondContact O-N 3.04Å; N99-I102 PolarHBondContact O-N 2.76Å; N99-A103 WeakPolarHBondContact O-CB 3.47Å; N99-A103 PolarHBondContact O-N 3.04Å
100	F	87.9	Confident	91.2	Very high	67 Å²	67	43.4 Å²	43.4	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-45.7	174.2	-177.6	-96.8	0	0	0	111.7	V96 V98 I102 A103 M104 I344	V96-F100 VanDerWaalsContact O-CB 3.31Å; V96-F100 WeakPolarHBondContact O-CB 3.4Å; V96-F100 PolarHBondContact O-N 3.18Å; V98-F100 VanDerWaalsContact C-N 3.32Å; V98-F100 PolarHBondContact O-N 3.29Å; F100-I102 VanDerWaalsContact C-N 3.31Å; F100-I102 PolarHBondContact O-N 3.17Å; F100-A103 PolarHBondContact O-N 3.21Å; F100-M104 HydrophobicContact CD1-CG 4.28Å; F100-M104 HydrophobicContact CD2-CG 4.47Å; F100-M104 HydrophobicContact CE1-CG 3.87Å; F100-M104 HydrophobicContact CE2-CG 4.08Å; F100-M104 HydrophobicContact CZ-CG 3.76Å; F100-M104 HydrophobicContact CZ-SD 4.5Å; F100-M104 WeakPolarHBondContact O-CG 3.46Å; F100-M104 PolarHBondContact O-N 2.93Å; F100-I344 HydrophobicContact CE2-CD1 4.05Å; F100-I344 HydrophobicContact CE2-CG2 4.34Å
101	S	89.5	Confident	91	Very high	5 Å²	5	44.3 Å²	44.3	4%	0.035	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-40.4	179	-55.3	0	0	0	0	111.8	V97 V98 M104 S105 M106	V97-S101 WeakPolarHBondContact O-CB 3.37Å; V97-S101 PolarHBondContact O-N 3.45Å; V97-S101 PolarHBondContact O-OG 2.95Å; V98-S101 PolarHBondContact O-N 3.49Å; V98-S101 VanDerWaalsContact O-N 3.16Å; S101-M104 PolarHBondContact O-N 3.29Å; S101-S105 PolarHBondContact O-N 3.31Å; S101-M106 WeakPolarHBondContact O-CB 3.46Å; S101-M106 PolarHBondContact O-N 3.19Å
102	I	88.1	Confident	90.9	Very high	100 Å²	100	51.2 Å²	51.2	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-46.9	175.1	-66.3	167.5	0	0	0	111	V98 N99 F100 M104 S105	V98-I102 HydrophobicContact CG1-CD1 3.91Å; V98-I102 WeakPolarHBondContact O-CG1 3.37Å; V98-I102 PolarHBondContact O-N 2.92Å; N99-I102 PolarHBondContact O-N 2.76Å; F100-I102 VanDerWaalsContact C-N 3.31Å; F100-I102 PolarHBondContact O-N 3.17Å; I102-M104 PolarHBondContact O-N 2.78Å; I102-S105 PolarHBondContact O-N 3.09Å; I102-S105 VanDerWaalsContact O-N 3.12Å
103	A	86.8	Confident	91	Very high	23 Å²	23	52 Å²	52	19%	0.19	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-35.2	-179.8	0	0	0	0	0	112.2	N99 F100 S105 W343	N99-A103 WeakPolarHBondContact O-CB 3.47Å; N99-A103 PolarHBondContact O-N 3.04Å; F100-A103 PolarHBondContact O-N 3.21Å; A103-S105 VanDerWaalsContact C-N 3.32Å; A103-S105 PolarHBondContact O-N 3.27Å; A103-W343 HydrophobicContact CB-CH2 3.84Å; A103-W343 HydrophobicContact CB-CZ2 4.32Å
104	M	87.4	Confident	91.2	Very high	23 Å²	23	52.6 Å²	52.6	11%	0.113	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	7.6	179.2	-63	-56.9	-77.9	0	0	114.4	F100 S101 I102 M106 W343 I344	F100-M104 HydrophobicContact CD1-CG 4.28Å; F100-M104 HydrophobicContact CD2-CG 4.47Å; F100-M104 HydrophobicContact CE1-CG 3.87Å; F100-M104 HydrophobicContact CE2-CG 4.08Å; F100-M104 HydrophobicContact CZ-CG 3.76Å; F100-M104 HydrophobicContact CZ-SD 4.5Å; F100-M104 WeakPolarHBondContact O-CG 3.46Å; F100-M104 PolarHBondContact O-N 2.93Å; S101-M104 PolarHBondContact O-N 3.29Å; I102-M104 PolarHBondContact O-N 2.78Å; M104-M106 VanDerWaalsContact C-N 3.28Å; M104-M106 HydrophobicContact CB-CG 3.94Å; M104-M106 HydrophobicContact CB-SD 3.66Å; M104-M106 PolarHBondContact O-N 3.16Å; M104-W343 HydrophobicContact SD-CZ3 4.15Å; M104-I344 HydrophobicContact SD-CD1 3.99Å
105	S	89.5	Confident	91.4	Very high	5 Å²	5	50.4 Å²	50.4	4%	0.035	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	42.3	-177.5	-64.5	0	0	0	0	112.3	S101 I102 A103 P440 P442 N472	S101-S105 PolarHBondContact O-N 3.31Å; I102-S105 PolarHBondContact O-N 3.09Å; I102-S105 VanDerWaalsContact O-N 3.12Å; A103-S105 VanDerWaalsContact C-N 3.32Å; A103-S105 PolarHBondContact O-N 3.27Å; S105-P440 PolarHBondContact OG-O 3.18Å; S105-P442 WeakPolarHBondContact OG-CD 3.38Å; S105-N472 VanDerWaalsContact C-OD1 3.3Å; S105-N472 WeakPolarHBondContact CA-OD1 3.15Å; S105-N472 VanDerWaalsContact CB-OD1 3.27Å; S105-N472 WeakPolarHBondContact CB-OD1 3.26Å; S105-N472 VanDerWaalsContact O-CG 3.24Å; S105-N472 PolarHBondContact O-N 3.36Å; S105-N472 PolarHBondContact O-OD1 3.23Å
106	M	90.6	Very high	91.7	Very high	27 Å²	27	47.4 Å²	47.4	13%	0.133	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.8	-179.1	-66.2	172.1	57.6	0	0	110.6	S101 M104 W465 I469 I471	S101-M106 WeakPolarHBondContact O-CB 3.46Å; S101-M106 PolarHBondContact O-N 3.19Å; M104-M106 VanDerWaalsContact C-N 3.28Å; M104-M106 HydrophobicContact CB-CG 3.94Å; M104-M106 HydrophobicContact CB-SD 3.66Å; M104-M106 PolarHBondContact O-N 3.16Å; M106-W465 HydrophobicContact CE-CZ3 3.92Å; M106-I469 HydrophobicContact CE-CD1 3.11Å; M106-I469 HydrophobicContact CE-CG1 3.7Å; M106-I471 HydrophobicContact CG-CD1 3.87Å
107	D	91.5	Very high	92.2	Very high	66 Å²	66	44.7 Å²	44.7	35%	0.353	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	106.9	165.4	-179.2	17.3	0	0	0	107.7	I469 R470 N472	D107-I469 WeakPolarHBondContact O-CA 3.35Å; D107-R470 HydrophobicContact CB-CG 3.81Å; D107-R470 PolarHBondContact N-O 3.36Å; D107-R470 PolarHBondContact O-N 3.33Å; D107-R470 IonicContact OD2-CZ 3.24Å; D107-R470 IonicContact OD2-NE 3.55Å; D107-R470 PolarHBondContact OD2-NE 3.15Å; D107-R470 IonicContact OD2-NH2 2.68Å; D107-R470 PolarHBondContact OD2-NH2 3.07Å; D107-N472 HydrophobicContact CB-CB 4.16Å
108	F	91.6	Very high	92.6	Very high	21 Å²	21	44.6 Å²	44.6	9%	0.092	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	122.5	-173.1	175.8	-129.7	0	0	0	110.1	V97 V110 S151 Q152 I469	V97-F108 HydrophobicContact CG1-CE1 3.98Å; F108-V110 HydrophobicContact CD1-CG2 3.67Å; F108-V110 HydrophobicContact CE1-CB 4.27Å; F108-V110 HydrophobicContact CE1-CG2 3.76Å; F108-V110 PolarHBondContact O-N 3.22Å; F108-S151 WeakPolarHBondContact CE2-O 3.37Å; F108-Q152 HydrophobicContact CE1-CG 3.85Å; F108-Q152 HydrophobicContact CZ-CG 4.05Å; F108-I469 HydrophobicContact CB-CD1 4.23Å; F108-I469 HydrophobicContact CB-CG1 4.06Å; F108-I469 HydrophobicContact CD2-CB 4.1Å; F108-I469 HydrophobicContact CD2-CD1 3.9Å; F108-I469 HydrophobicContact CD2-CG1 4.08Å; F108-I469 HydrophobicContact CG-CD1 4.08Å; F108-I469 HydrophobicContact CG-CG1 4.32Å
109	T	88.9	Confident	93	Very high	116 Å²	116	42.7 Å²	42.7	71%	0.712	23%	0.229	S	C	*	.			trans	-81.9	102.4	170.5	-57.3	0	0	0	0	108.9	P111	T109-P111 VanDerWaalsContact O-CD 3.24Å; T109-P111 WeakPolarHBondContact O-CD 3.39Å
110	V	92	Very high	93.4	Very high	33 Å²	33	38.5 Å²	38.5	20%	0.2	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-64.7	118.3	179.1	-176.7	0	0	0	0	110	M89 V97 V98 F108	M89-V110 HydrophobicContact CE-CG1 3.37Å; M89-V110 HydrophobicContact SD-CG1 4.16Å; V97-V110 HydrophobicContact CB-CG1 4.46Å; V97-V110 HydrophobicContact CG1-CG1 4.08Å; V97-V110 HydrophobicContact CG1-CG2 4.1Å; V98-V110 HydrophobicContact CG2-CB 4.28Å; V98-V110 HydrophobicContact CG2-CG2 3.66Å; F108-V110 HydrophobicContact CD1-CG2 3.67Å; F108-V110 HydrophobicContact CE1-CB 4.27Å; F108-V110 HydrophobicContact CE1-CG2 3.76Å; F108-V110 PolarHBondContact O-N 3.22Å
111	P	94.6	Very high	93.9	Very high	20 Å²	20	35.3 Å²	35.3	13%	0.13	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-66.1	165.7	176.5	-20.3	33.2	0	0	0	112.7	Q86 M89 Q94 T109	Q86-P111 HydrophobicContact CB-CG 4.36Å; M89-P111 HydrophobicContact CG-CB 4.14Å; M89-P111 HydrophobicContact CG-CG 4.19Å; Q94-P111 PolarHBondContact NE2-O 2.81Å; T109-P111 VanDerWaalsContact O-CD 3.24Å; T109-P111 WeakPolarHBondContact O-CD 3.39Å
112	E	96.1	Very high	94.4	Very high	159 Å²	159	35.1 Å²	35.1	74%	0.743	19%	0.191	S	C	*	.	P	Polyproline II helix	trans	-62.4	161.2	169.4	-64.8	-171.7	165.6	0	0	111.7	P88 M89	P88-E112 CarbonylContact C-O 3.6Å; P88-E112 VanDerWaalsContact CA-O 3.25Å; P88-E112 WeakPolarHBondContact CA-O 3.48Å; P88-E112 WeakPolarHBondContact CB-O 3.38Å; M89-E112 PolarHBondContact N-O 2.88Å
113	V	97.4	Very high	94.9	Very high	18 Å²	18	30.3 Å²	30.3	11%	0.109	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.2	173.9	-73.7	0	0	0	0	111.4	M89 Q92 Q94 Q291 I295	M89-V113 HydrophobicContact CB-CG1 4.15Å; M89-V113 HydrophobicContact CE-CG1 4.04Å; M89-V113 CarbonylContact O-C 3.41Å; M89-V113 VanDerWaalsContact O-CA 3.3Å; M89-V113 WeakPolarHBondContact O-CA 3.37Å; Q92-V113 HydrophobicContact CG-CG1 4.05Å; Q94-V113 HydrophobicContact CG-CB 4.41Å; Q94-V113 HydrophobicContact CG-CG1 3.43Å; Q94-V113 VanDerWaalsContact CG-CG1 3.43Å; Q94-V113 HydrophobicContact CG-CG2 4.13Å; V113-Q291 PolarHBondContact O-NE2 3.36Å; V113-I295 HydrophobicContact CG2-CD1 3.99Å
114	S	98.1	Very high	95.4	Very high	36 Å²	36	29.6 Å²	29.6	25%	0.252	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	154.4	178.8	-175	0	0	0	0	110.8	M89 V91 D116 C117	M89-S114 PolarHBondContact O-N 3.37Å; V91-S114 PolarHBondContact N-O 3.48Å; S114-D116 VanDerWaalsContact C-N 3.28Å; S114-D116 PolarHBondContact OG-N 2.96Å; S114-C117 WeakPolarHBondContact O-CB 3.19Å
115	E	98.4	Very high	95.9	Very high	24 Å²	24	28.8 Å²	28.8	11%	0.112	16%	0.157	C	C	.	.	S	Bend	trans	-69.6	-29.5	163.3	-72.8	-175.6	-106.6	0	0	111.8	P62 V63 R67 V91 C117 L176	P62-E115 VanDerWaalsContact CD-O 3.23Å; P62-E115 WeakPolarHBondContact CD-O 3.35Å; P62-E115 VanDerWaalsContact CG-O 3.26Å; P62-E115 WeakPolarHBondContact CG-O 3.49Å; V63-E115 HydrophobicContact CG1-CB 3.77Å; R67-E115 IonicContact CZ-OE1 3.59Å; R67-E115 IonicContact CZ-OE2 3.45Å; R67-E115 IonicContact NE-OE1 3.81Å; R67-E115 IonicContact NE-OE2 3.12Å; R67-E115 PolarHBondContact NE-OE2 2.88Å; R67-E115 IonicContact NH2-OE1 3.54Å; R67-E115 PolarHBondContact NH2-OE1 2.82Å; R67-E115 IonicContact NH2-OE2 3.26Å; R67-E115 PolarHBondContact NH2-OE2 2.98Å; V91-E115 HydrophobicContact CG2-CG 3.7Å; E115-C117 VanDerWaalsContact C-N 3.27Å; E115-C117 PolarHBondContact O-N 3.05Å; E115-L176 HydrophobicContact CG-CD1 4.06Å
116	D	98.3	Very high	96.1	Very high	46 Å²	46	28.9 Å²	28.9	25%	0.246	16%	0.158	C	C	.	.			trans	-75.7	82.5	167.5	-176.7	15.9	0	0	0	109.5	P61 S114 Y119	P61-D116 HydrophobicContact CB-CB 3.93Å; P61-D116 HydrophobicContact CG-CB 4.4Å; P61-D116 WeakPolarHBondContact CG-OD1 3.09Å; S114-D116 VanDerWaalsContact C-N 3.28Å; S114-D116 PolarHBondContact OG-N 2.96Å; D116-Y119 WeakPolarHBondContact O-CE2 3.5Å; D116-Y119 VanDerWaalsContact OD1-CE2 3.31Å; D116-Y119 WeakPolarHBondContact OD1-CE2 3.44Å; D116-Y119 PolarHBondContact OD1-OH 2.89Å; D116-Y119 VanDerWaalsContact OD1-OH 3.07Å; D116-Y119 PolarHBondContact OD2-OH 3.41Å
117	C	98.6	Very high	96.1	Very high	1 Å²	1	32 Å²	32	1%	0.007	17%	0.172	C	C	.	.			trans	-132.5	3	-174.6	69.5	0	0	0	0	114.7	C90 S114 E115 Y119 Q170	C90-C117 VanDerWaalsContact CA-CB 3.47Å; C90-C117 WeakPolarHBondContact CA-SG 3.48Å; C90-C117 HydrophobicContact CB-CB 3.81Å; C90-C117 WeakPolarHBondContact CB-SG 3.42Å; C90-C117 WeakPolarHBondContact SG-CB 3.16Å; C90-C117 CovalentContact SG-SG 2.04Å; C90-C117 PolarHBondContact SG-SG 3.48Å; S114-C117 WeakPolarHBondContact O-CB 3.19Å; E115-C117 VanDerWaalsContact C-N 3.27Å; E115-C117 PolarHBondContact O-N 3.05Å; C117-Y119 VanDerWaalsContact C-CD2 3.41Å; C117-Y119 PolarHBondContact O-N 3.08Å; C117-Q170 WeakPolarHBondContact O-CB 3.48Å; C117-Q170 PolarHBondContact O-NE2 2.94Å; C117-Q170 VanDerWaalsContact O-NE2 3.07Å
118	L	98.8	Very high	95.8	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.167	C	C	.	.			trans	-79.6	69.7	-175.1	-60.3	-171.8	0	0	0	112.5	F58 A59 P62 P71 R172 D194	F58-L118 WeakPolarHBondContact CD1-O 3.37Å; F58-L118 HydrophobicContact CE1-CB 4.16Å; F58-L118 HydrophobicContact CE2-CB 4.16Å; F58-L118 HydrophobicContact CZ-CB 3.83Å; F58-L118 HydrophobicContact CZ-CD2 4.02Å; F58-L118 HydrophobicContact CZ-CG 4.44Å; F58-L118 PolarHBondContact N-O 3.06Å; A59-L118 HydrophobicContact CB-CB 4.03Å; A59-L118 HydrophobicContact CB-CD1 3.69Å; P62-L118 HydrophobicContact CB-CD1 4.27Å; P62-L118 HydrophobicContact CG-CD1 3.9Å; P62-L118 HydrophobicContact CG-CG 4.03Å; P71-L118 HydrophobicContact CB-CD1 4.25Å; L118-R172 HydrophobicContact CD2-CG 4.18Å; L118-D194 HydrophobicContact CD2-CB 3.99Å; L118-D194 WeakPolarHBondContact CD2-OD2 3.38Å
119	Y	98.9	Very high	95.5	Very high	18 Å²	18	31.1 Å²	31.1	7%	0.071	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	156.6	-176.7	-62.9	-85.1	0	0	0	111.7	G55 I56 P57 F58 P87 D116 C117 Q170	G55-Y119 VanDerWaalsContact O-CD1 3.22Å; G55-Y119 WeakPolarHBondContact O-CD1 3.39Å; I56-Y119 CarbonylContact O-C 3.48Å; I56-Y119 VanDerWaalsContact O-CA 3.27Å; I56-Y119 WeakPolarHBondContact O-CA 3.36Å; P57-Y119 HydrophobicContact CB-CD1 4.07Å; P57-Y119 HydrophobicContact CB-CE1 3.85Å; F58-Y119 WeakPolarHBondContact CE1-O 3.37Å; P87-Y119 HydrophobicContact CB-CD1 4.27Å; P87-Y119 HydrophobicContact CB-CD2 3.56Å; P87-Y119 HydrophobicContact CB-CE2 4.31Å; P87-Y119 HydrophobicContact CB-CG 3.57Å; P87-Y119 HydrophobicContact CG-CD2 4.38Å; P87-Y119 HydrophobicContact CG-CG 4.11Å; D116-Y119 WeakPolarHBondContact O-CE2 3.5Å; D116-Y119 VanDerWaalsContact OD1-CE2 3.31Å; D116-Y119 WeakPolarHBondContact OD1-CE2 3.44Å; D116-Y119 PolarHBondContact OD1-OH 2.89Å; D116-Y119 VanDerWaalsContact OD1-OH 3.07Å; D116-Y119 PolarHBondContact OD2-OH 3.41Å; C117-Y119 VanDerWaalsContact C-CD2 3.41Å; C117-Y119 PolarHBondContact O-N 3.08Å; Y119-Q170 WeakPolarHBondContact O-CB 3.44Å; Y119-Q170 PolarHBondContact O-N 3.37Å
120	L	98.9	Very high	95.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	158.5	171.3	59.1	81.2	0	0	0	111.6	G55 I56 F58 V122 V167 I168 I169 A198 W201	G55-L120 PolarHBondContact N-O 3.27Å; I56-L120 HydrophobicContact CB-CD1 3.87Å; I56-L120 HydrophobicContact CB-CG 4.4Å; I56-L120 HydrophobicContact CD1-CD1 3.88Å; I56-L120 HydrophobicContact CG1-CD1 4.46Å; I56-L120 HydrophobicContact CG2-CD1 4.33Å; I56-L120 PolarHBondContact N-O 2.9Å; I56-L120 PolarHBondContact O-N 2.88Å; F58-L120 HydrophobicContact CB-CD2 3.71Å; F58-L120 HydrophobicContact CB-CG 4.33Å; F58-L120 HydrophobicContact CD1-CB 4.13Å; F58-L120 HydrophobicContact CD1-CD2 3.89Å; F58-L120 HydrophobicContact CD1-CG 4.08Å; F58-L120 HydrophobicContact CG-CD2 4.09Å; L120-V122 HydrophobicContact CD1-CG2 3.66Å; L120-V167 HydrophobicContact CB-CG1 4.36Å; L120-V167 HydrophobicContact CD1-CG1 4.19Å; L120-V167 HydrophobicContact CD2-CG1 4.37Å; L120-I168 CarbonylContact C-O 3.44Å; L120-I168 VanDerWaalsContact CA-O 3.3Å; L120-I168 WeakPolarHBondContact CA-O 3.43Å; L120-I169 HydrophobicContact CB-CB 4.37Å; L120-I169 HydrophobicContact CB-CG2 3.94Å; L120-I169 HydrophobicContact CD2-CG2 4.36Å; L120-A198 HydrophobicContact CD2-CB 4.32Å; L120-W201 HydrophobicContact CD1-CD2 4.47Å; L120-W201 HydrophobicContact CD1-CE3 3.95Å; L120-W201 HydrophobicContact CD1-CH2 3.76Å; L120-W201 HydrophobicContact CD1-CZ2 4.3Å; L120-W201 HydrophobicContact CD1-CZ3 3.56Å; L120-W201 HydrophobicContact CD2-CD2 3.82Å; L120-W201 HydrophobicContact CD2-CE3 3.46Å; L120-W201 VanDerWaalsContact CD2-CE3 3.46Å; L120-W201 HydrophobicContact CD2-CG 4.28Å; L120-W201 HydrophobicContact CD2-CZ3 3.97Å; L120-W201 HydrophobicContact CG-CE3 4.33Å; L120-W201 HydrophobicContact CG-CZ3 4.43Å
121	N	98.9	Very high	94.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.2	176.2	-62.3	-24.3	0	0	0	109.2	Y53 L54 G55 Q86 Y123 V167 I168	Y53-N121 CarbonylContact O-C 3.46Å; Y53-N121 VanDerWaalsContact O-CA 3.31Å; Y53-N121 WeakPolarHBondContact O-CA 3.33Å; L54-N121 VanDerWaalsContact CA-OD1 3.27Å; L54-N121 WeakPolarHBondContact CA-OD1 3.38Å; L54-N121 HydrophobicContact CD2-CB 3.77Å; G55-N121 PolarHBondContact N-OD1 3.03Å; Q86-N121 PolarHBondContact OE1-ND2 3.42Å; N121-Y123 HydrophobicContact CB-CE2 3.79Å; N121-V167 CarbonylContact O-C 3.58Å; N121-V167 VanDerWaalsContact O-CA 3.27Å; N121-V167 WeakPolarHBondContact O-CA 3.35Å; N121-I168 HydrophobicContact CB-CB 4.42Å; N121-I168 PolarHBondContact N-O 3.25Å; N121-I168 PolarHBondContact O-N 2.91Å
122	V	98.9	Very high	94.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.2	177.3	-178.7	0	0	0	0	110.1	Y53 I56 L120 V165 V167 W201 I206 F209	Y53-V122 PolarHBondContact N-O 2.69Å; Y53-V122 PolarHBondContact O-N 2.89Å; I56-V122 HydrophobicContact CD1-CB 4.19Å; I56-V122 HydrophobicContact CD1-CG2 3.68Å; L120-V122 HydrophobicContact CD1-CG2 3.66Å; V122-V165 HydrophobicContact CG1-CG1 4.05Å; V122-V167 HydrophobicContact CG2-CG1 4.41Å; V122-V167 HydrophobicContact CG2-CG2 4.28Å; V122-W201 HydrophobicContact CG2-CH2 4.01Å; V122-W201 HydrophobicContact CG2-CZ3 4.1Å; V122-I206 HydrophobicContact CG1-CD1 4.16Å; V122-I206 HydrophobicContact CG2-CD1 4.46Å; V122-F209 HydrophobicContact CB-CD1 4.23Å; V122-F209 HydrophobicContact CB-CE1 4.32Å; V122-F209 HydrophobicContact CG1-CB 3.97Å; V122-F209 HydrophobicContact CG1-CD1 3.72Å; V122-F209 HydrophobicContact CG1-CD2 4.47Å; V122-F209 HydrophobicContact CG1-CE1 4.3Å; V122-F209 HydrophobicContact CG1-CG 3.81Å
123	Y	98.8	Very high	94.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.9	176.5	-56.5	-101.5	0	0	0	107.9	V50 R52 N121 D154 S156 T159 V165 T166 I168	V50-Y123 HydrophobicContact CG1-CD1 4.28Å; R52-Y123 HydrophobicContact CB-CD1 4.39Å; R52-Y123 HydrophobicContact CG-CD1 3.95Å; R52-Y123 HydrophobicContact CG-CE1 3.7Å; N121-Y123 HydrophobicContact CB-CE2 3.79Å; Y123-D154 VanDerWaalsContact CE1-OD1 3.29Å; Y123-D154 WeakPolarHBondContact CE1-OD1 3.27Å; Y123-S156 WeakPolarHBondContact CD1-OG 3.12Å; Y123-T159 WeakPolarHBondContact CB-OG1 3.44Å; Y123-V165 WeakPolarHBondContact O-CA 2.96Å; Y123-T166 PolarHBondContact N-O 3.48Å; Y123-T166 PolarHBondContact O-N 3.1Å; Y123-I168 HydrophobicContact CD2-CD1 4.43Å; Y123-I168 HydrophobicContact CD2-CG1 4.47Å; Y123-I168 HydrophobicContact CE2-CD1 3.76Å; Y123-I168 HydrophobicContact CE2-CG1 4.04Å
124	T	98.3	Very high	94.7	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.043	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.4	-179.4	-175.7	0	0	0	0	111.4	V50 K51 Y53 A126 F209	V50-T124 CarbonylContact C-O 3.59Å; V50-T124 WeakPolarHBondContact CA-O 3.14Å; K51-T124 HydrophobicContact CB-CG2 3.79Å; K51-T124 HydrophobicContact CD-CG2 4.48Å; K51-T124 PolarHBondContact N-O 3.33Å; K51-T124 PolarHBondContact O-N 3.02Å; Y53-T124 HydrophobicContact CE2-CG2 4.15Å; T124-A126 PolarHBondContact O-N 3.02Å; T124-F209 VanDerWaalsContact CB-O 3.31Å; T124-F209 WeakPolarHBondContact CB-O 3.49Å; T124-F209 PolarHBondContact OG1-O 3.47Å
125	P	96.9	Very high	94.7	Very high	7 Å²	7	35.4 Å²	35.4	5%	0.045	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	129.3	-179.9	-19.9	32.5	0	0	0	111.3	E127 A128 L134 T159	P125-E127 VanDerWaalsContact C-N 3.31Å; P125-E127 PolarHBondContact O-N 2.84Å; P125-A128 HydrophobicContact CB-CB 4.25Å; P125-A128 PolarHBondContact O-N 2.82Å; P125-L134 HydrophobicContact CG-CD1 3.7Å; P125-T159 HydrophobicContact CG-CG2 3.84Å
126	A	94.1	Very high	94.7	Very high	7 Å²	7	34.3 Å²	34.3	6%	0.058	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-32.4	-177	0	0	0	0	0	112.6	Y40 R49 K51 T124 A128	Y40-A126 HydrophobicContact CD1-CB 3.97Å; Y40-A126 HydrophobicContact CE1-CB 3.69Å; R49-A126 HydrophobicContact CB-CB 3.83Å; R49-A126 WeakPolarHBondContact O-CB 3.39Å; R49-A126 PolarHBondContact O-N 2.93Å; K51-A126 HydrophobicContact CG-CB 4.11Å; T124-A126 PolarHBondContact O-N 3.02Å; A126-A128 VanDerWaalsContact C-N 3.33Å
127	E	90.2	Very high	94.7	Very high	92 Å²	92	32.2 Å²	32.2	43%	0.43	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	6.6	-177.1	-63.3	74.5	-149.5	0	0	113.4	R49 P125	R49-E127 WeakPolarHBondContact CB-OE1 3.44Å; R49-E127 IonicContact CZ-OE1 3.92Å; R49-E127 PolarHBondContact N-OE1 2.8Å; R49-E127 PolarHBondContact N-OE2 3.47Å; R49-E127 IonicContact NE-OE1 2.65Å; R49-E127 PolarHBondContact NE-OE1 3.22Å; R49-E127 IonicContact NH2-OE1 2.73Å; R49-E127 PolarHBondContact NH2-OE1 3.01Å; P125-E127 VanDerWaalsContact C-N 3.31Å; P125-E127 PolarHBondContact O-N 2.84Å
128	A	85.6	Confident	94.8	Very high	30 Å²	30	32.1 Å²	32.1	25%	0.248	18%	0.18	C	C	.	.			trans	-66.4	134.4	175.3	0	0	0	0	0	111	P125 A126 L134	P125-A128 HydrophobicContact CB-CB 4.25Å; P125-A128 PolarHBondContact O-N 2.82Å; A126-A128 VanDerWaalsContact C-N 3.33Å; A128-L134 HydrophobicContact CB-CD1 3.91Å
129	A	84.1	Confident	94.8	Very high	38 Å²	38	32.1 Å²	32.1	31%	0.314	18%	0.179	S	C	.	.			trans	-67.5	135.4	175.7	0	0	0	0	0	110	E131 V132	A129-E131 WeakPolarHBondContact CB-OE1 3.4Å; A129-E131 PolarHBondContact O-N 3.18Å; A129-V132 HydrophobicContact CB-CG2 4.02Å; A129-V132 PolarHBondContact O-N 3.33Å
130	P	81	Confident	94.8	Very high	130 Å²	130	31.3 Å²	31.3	84%	0.844	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.4	-173.9	-28	35.3	0	0	0	115.6
131	E	86.2	Confident	94.8	Very high	152 Å²	152	31.3 Å²	31.3	71%	0.71	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-13.6	179.5	65.3	-84	-166.7	0	0	114.4	A129	A129-E131 WeakPolarHBondContact CB-OE1 3.4Å; A129-E131 PolarHBondContact O-N 3.18Å
132	V	90.9	Very high	94.7	Very high	67 Å²	67	31.4 Å²	31.4	41%	0.406	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-89	117.2	-178.1	177.8	0	0	0	0	109.3	A129 L134	A129-V132 HydrophobicContact CB-CG2 4.02Å; A129-V132 PolarHBondContact O-N 3.33Å; V132-L134 HydrophobicContact CG1-CD2 3.72Å; V132-L134 HydrophobicContact CG1-CG 4.41Å
133	K	95.6	Very high	94.5	Very high	97 Å²	97	32.2 Å²	32.2	42%	0.422	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-86.6	119.9	169.7	-57.7	-169.5	177.2	-168	0	109.6	E207 D212	K133-E207 VanDerWaalsContact CE-CD 3.5Å; K133-E207 WeakPolarHBondContact CE-OE1 3.33Å; K133-E207 IonicContact NZ-OE1 3.49Å; K133-E207 PolarHBondContact NZ-OE1 2.96Å; K133-E207 IonicContact NZ-OE2 2.71Å; K133-E207 PolarHBondContact NZ-OE2 3.29Å; K133-D212 HydrophobicContact CB-CB 3.7Å
134	L	98.4	Very high	94.3	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	146.7	-174.9	-63.1	176.8	0	0	0	111.8	P125 A128 V132 V165 G210 G211 D212	P125-L134 HydrophobicContact CG-CD1 3.7Å; A128-L134 HydrophobicContact CB-CD1 3.91Å; V132-L134 HydrophobicContact CG1-CD2 3.72Å; V132-L134 HydrophobicContact CG1-CG 4.41Å; L134-V165 HydrophobicContact CB-CG2 4.13Å; L134-V165 HydrophobicContact CD1-CG2 4.35Å; L134-G210 PolarHBondContact N-O 3.43Å; L134-G211 CarbonylContact O-C 3.48Å; L134-G211 WeakPolarHBondContact O-CA 3.46Å; L134-D212 WeakPolarHBondContact O-CB 3.16Å; L134-D212 PolarHBondContact O-N 2.95Å
135	P	98.7	Very high	94.1	Very high	20 Å²	20	32.6 Å²	32.6	13%	0.13	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	145.4	169.9	-12	19.3	0	0	0	111.3	I164 V165 R495	P135-I164 HydrophobicContact CB-CG2 4.25Å; P135-I164 HydrophobicContact CG-CG2 4.21Å; P135-I164 WeakPolarHBondContact O-CB 3.5Å; P135-V165 PolarHBondContact O-N 3.21Å; P135-R495 HydrophobicContact CG-CB 4.23Å; P135-R495 HydrophobicContact CG-CG 3.52Å
136	V	98.9	Very high	94	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130	-178.7	-174.6	0	0	0	0	109	V138 V165 V167 V202 I206 S215 V216 T217	V136-V138 HydrophobicContact CG1-CG2 4.08Å; V136-V165 CarbonylContact C-O 3.59Å; V136-V165 VanDerWaalsContact CA-O 3.31Å; V136-V165 WeakPolarHBondContact CA-O 2.95Å; V136-V165 HydrophobicContact CG1-CG1 4.39Å; V136-V165 HydrophobicContact CG2-CB 4.26Å; V136-V167 HydrophobicContact CG1-CG2 3.78Å; V136-V202 HydrophobicContact CG1-CG1 4.22Å; V136-I206 HydrophobicContact CG1-CD1 4.46Å; V136-I206 HydrophobicContact CG1-CG1 4Å; V136-I206 HydrophobicContact CG2-CG1 3.72Å; V136-I206 HydrophobicContact CG2-CG2 4.06Å; V136-S215 PolarHBondContact N-O 3.11Å; V136-V216 HydrophobicContact CB-CG2 4.16Å; V136-V216 HydrophobicContact CG2-CG2 4.5Å; V136-V216 CarbonylContact O-C 3.55Å; V136-V216 WeakPolarHBondContact O-CA 3.22Å; V136-T217 PolarHBondContact O-N 2.56Å
137	M	98.9	Very high	94.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.7	167.2	-176	175.3	-67.6	0	0	109.4	L158 I164 V165 T166 V167 T217 A219 I245 W490 A494	M137-L158 HydrophobicContact SD-CD2 3.81Å; M137-I164 HydrophobicContact CB-CD1 4.1Å; M137-I164 HydrophobicContact CE-CD1 4.29Å; M137-V165 PolarHBondContact N-O 3.28Å; M137-T166 CarbonylContact O-C 3.57Å; M137-T166 WeakPolarHBondContact O-CA 3.28Å; M137-V167 PolarHBondContact O-N 2.87Å; M137-T217 CarbonylContact C-O 3.6Å; M137-T217 WeakPolarHBondContact CA-O 3.31Å; M137-A219 HydrophobicContact CG-CB 4.13Å; M137-A219 HydrophobicContact SD-CB 4.2Å; M137-I245 HydrophobicContact CE-CD1 4.03Å; M137-W490 HydrophobicContact CE-CB 4.21Å; M137-A494 HydrophobicContact CE-CB 4.01Å
138	V	99	Very high	94.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.1	176.5	-174	0	0	0	0	108.5	V136 V167 I169 L199 V202 V216 T217 I218 A219	V136-V138 HydrophobicContact CG1-CG2 4.08Å; V138-V167 CarbonylContact C-O 3.52Å; V138-V167 WeakPolarHBondContact CA-O 3.37Å; V138-V167 HydrophobicContact CG1-CB 4.44Å; V138-V167 HydrophobicContact CG1-CG1 4.49Å; V138-V167 HydrophobicContact CG2-CB 4.19Å; V138-I169 HydrophobicContact CG1-CD1 4.43Å; V138-I169 HydrophobicContact CG1-CG2 3.81Å; V138-L199 HydrophobicContact CB-CD2 4.21Å; V138-L199 HydrophobicContact CG1-CD2 4.02Å; V138-L199 HydrophobicContact CG2-CD2 4.12Å; V138-V202 HydrophobicContact CG2-CG1 4.3Å; V138-V202 HydrophobicContact CG2-CG2 4.08Å; V138-V216 HydrophobicContact CG2-CG1 3.81Å; V138-T217 PolarHBondContact N-O 2.86Å; V138-I218 HydrophobicContact CB-CG2 4.48Å; V138-A219 PolarHBondContact O-N 3.43Å
139	W	98.9	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.9	179.7	-176.8	-107.8	0	0	0	112.1	Y153 V167 I168 I169 A219 E221 V456 M459 F460	W139-Y153 AromaticContact CD1-CD2 3.93Å; W139-Y153 HydrophobicContact CZ2-CE1 4.1Å; W139-Y153 AromaticContact NE1-CD1 3.63Å; W139-Y153 AromaticContact NE1-CD2 3.69Å; W139-Y153 AromaticContact NE1-CE1 3.48Å; W139-Y153 AromaticContact NE1-CE2 3.57Å; W139-Y153 AromaticContact NE1-CG 3.74Å; W139-Y153 AromaticContact NE1-CZ 3.45Å; W139-V167 PolarHBondContact N-O 2.79Å; W139-I168 HydrophobicContact CB-CG1 4.28Å; W139-I168 HydrophobicContact CB-CG2 4.32Å; W139-I168 HydrophobicContact CG-CG2 4.49Å; W139-I169 PolarHBondContact O-N 2.86Å; W139-A219 CarbonylContact C-O 3.59Å; W139-A219 WeakPolarHBondContact CA-O 3.5Å; W139-A219 HydrophobicContact CE3-CB 3.84Å; W139-A219 HydrophobicContact CZ3-CB 4.08Å; W139-E221 HydrophobicContact CH2-CB 3.64Å; W139-E221 HydrophobicContact CZ2-CB 3.82Å; W139-V456 HydrophobicContact CH2-CG1 4.07Å; W139-V456 HydrophobicContact CH2-CG2 4.19Å; W139-V456 HydrophobicContact CZ2-CG1 3.78Å; W139-V456 HydrophobicContact CZ2-CG2 4.37Å; W139-M459 HydrophobicContact CE3-CE 3.88Å; W139-M459 HydrophobicContact CH2-CE 4.06Å; W139-M459 HydrophobicContact CZ3-CE 3.62Å; W139-M459 HydrophobicContact CZ3-SD 3.98Å; W139-F460 HydrophobicContact CB-CZ 4.03Å; W139-F460 AromaticContact CD1-CZ 3.78Å; W139-F460 AromaticContact CD2-CE2 3.68Å; W139-F460 HydrophobicContact CD2-CE2 3.68Å; W139-F460 AromaticContact CD2-CZ 3.6Å; W139-F460 HydrophobicContact CD2-CZ 3.6Å; W139-F460 AromaticContact CE2-CE2 3.55Å; W139-F460 AromaticContact CE2-CZ 3.89Å; W139-F460 HydrophobicContact CE3-CE2 4.1Å; W139-F460 HydrophobicContact CE3-CZ 4.13Å; W139-F460 HydrophobicContact CG-CE2 4.07Å; W139-F460 AromaticContact CG-CZ 3.53Å; W139-F460 HydrophobicContact CG-CZ 3.53Å; W139-F460 HydrophobicContact CH2-CE2 4.25Å; W139-F460 AromaticContact CZ2-CE2 3.87Å; W139-F460 HydrophobicContact CZ2-CE2 3.87Å; W139-F460 HydrophobicContact CZ3-CE2 4.37Å; W139-F460 AromaticContact NE1-CE2 3.82Å; W139-F460 AromaticContact NE1-CZ 3.93Å
140	I	98.9	Very high	95.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117	172.7	-47.7	179.8	0	0	0	107.3	I169 Y171 Q195 A219 G220 G224 A228 L231	I140-I169 HydrophobicContact CG1-CD1 4.09Å; I140-I169 HydrophobicContact CG1-CG1 4.45Å; I140-Y171 HydrophobicContact CG2-CD1 4.15Å; I140-Y171 HydrophobicContact CG2-CE1 3.67Å; I140-Q195 HydrophobicContact CG2-CG 4.33Å; I140-A219 PolarHBondContact N-O 2.91Å; I140-G220 WeakPolarHBondContact O-CA 3.48Å; I140-G224 WeakPolarHBondContact O-CA 3.33Å; I140-A228 HydrophobicContact CD1-CB 4.39Å; I140-L231 HydrophobicContact CD1-CD1 3.66Å
141	H	98.7	Very high	96.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.			trans	-71.4	154.1	-176.3	66.7	79.7	0	0	0	113	G148 Y153 Y171 G224	H141-G148 PolarHBondContact CE1-O 2.91Å; H141-Y153 HydrophobicContact CB-CD2 4.36Å; H141-Y153 HydrophobicContact CB-CE2 3.41Å; H141-Y153 VanDerWaalsContact CB-CE2 3.41Å; H141-Y171 AromaticContact CD2-CE1 3.75Å; H141-Y171 AromaticContact CE1-CE1 3.57Å; H141-Y171 AromaticContact CE1-CZ 3.73Å; H141-Y171 AromaticContact ND1-CE1 3.91Å; H141-Y171 AromaticContact NE2-CD1 3.85Å; H141-Y171 AromaticContact NE2-CE1 3.47Å; H141-Y171 WeakPolarHBondContact NE2-CE1 3.45Å; H141-Y171 PolarHBondContact O-OH 2.92Å; H141-G224 VanDerWaalsContact O-CA 3.27Å; H141-G224 WeakPolarHBondContact O-CA 3.32Å; H141-G224 PolarHBondContact O-N 2.97Å
142	G	97.5	Very high	96.8	Very high	3 Å²	3	17.2 Å²	17.2	3%	0.031	10%	0.099	C	C	.	.			trans	-78.1	-159.2	170.8	0	0	0	0	0	113.7	M147 E221	G142-M147 VanDerWaalsContact O-O 3.13Å; G142-E221 WeakPolarHBondContact CA-O 3.49Å; G142-E221 PolarHBondContact N-O 2.91Å
143	G	94.7	Very high	97.1	Very high	17 Å²	17	15.2 Å²	15.2	18%	0.175	8%	0.084	C	C	.	.	S	Bend	trans	108.5	30.1	178.9	0	0	0	0	0	115	L145 V146 M147	G143-L145 PolarHBondContact O-N 2.81Å; G143-L145 VanDerWaalsContact O-N 3.08Å; G143-V146 WeakPolarHBondContact O-CG2 3.44Å; G143-V146 PolarHBondContact O-N 3.28Å; G143-M147 WeakPolarHBondContact CA-O 3.34Å; G143-M147 VanDerWaalsContact O-CG 3.31Å; G143-M147 WeakPolarHBondContact O-CG 3.24Å; G143-M147 PolarHBondContact O-N 2.88Å
144	G	93.7	Very high	97.1	Very high	12 Å²	12	10.7 Å²	10.7	12%	0.124	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	19	173.3	0	0	0	0	0	115	V146 A223	G144-V146 PolarHBondContact O-N 2.97Å; G144-V146 VanDerWaalsContact O-N 3.16Å; G144-A223 VanDerWaalsContact N-CB 3.31Å
145	L	95.9	Very high	97.1	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.01	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	9	-170.4	-51.1	176.4	0	0	0	114.6	G143 Y171 L173 G174 F178 A223 Y256	G143-L145 PolarHBondContact O-N 2.81Å; G143-L145 VanDerWaalsContact O-N 3.08Å; L145-Y171 HydrophobicContact CD2-CE2 4Å; L145-L173 CarbonylContact O-C 3.5Å; L145-L173 WeakPolarHBondContact O-CA 3.35Å; L145-G174 PolarHBondContact O-N 2.87Å; L145-F178 HydrophobicContact CB-CD2 4.07Å; L145-F178 HydrophobicContact CB-CE2 3.68Å; L145-F178 HydrophobicContact CB-CZ 3.95Å; L145-F178 HydrophobicContact CD1-CD1 4.14Å; L145-F178 HydrophobicContact CD1-CE1 3.75Å; L145-F178 HydrophobicContact CD1-CE2 4.39Å; L145-F178 HydrophobicContact CD1-CZ 3.92Å; L145-F178 HydrophobicContact CD2-CE1 4.3Å; L145-F178 HydrophobicContact CD2-CE2 4.29Å; L145-F178 HydrophobicContact CD2-CZ 3.75Å; L145-F178 HydrophobicContact CG-CE1 4.41Å; L145-F178 HydrophobicContact CG-CE2 4.33Å; L145-F178 HydrophobicContact CG-CZ 4.08Å; L145-A223 HydrophobicContact CD2-CB 3.84Å; L145-A223 HydrophobicContact CG-CB 3.97Å; L145-Y256 HydrophobicContact CD1-CD1 3.64Å; L145-Y256 HydrophobicContact CD1-CE1 3.73Å; L145-Y256 HydrophobicContact CG-CD1 4.31Å; L145-Y256 HydrophobicContact CG-CE1 3.92Å
146	V	94.9	Very high	97.1	Very high	45 Å²	45	9.5 Å²	9.5	27%	0.273	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-19.2	-176.2	-64.2	0	0	0	0	113.2	G143 G144	G143-V146 WeakPolarHBondContact O-CG2 3.44Å; G143-V146 PolarHBondContact O-N 3.28Å; G144-V146 PolarHBondContact O-N 2.97Å; G144-V146 VanDerWaalsContact O-N 3.16Å
147	M	94.9	Very high	97.1	Very high	65 Å²	65	9.6 Å²	9.6	32%	0.32	6%	0.058	S	C	.	.	S	Bend	trans	-145.9	177.2	177	63	172.6	171.7	0	0	110.4	Q92 V96 G142 G143	Q92-M147 HydrophobicContact CB-CB 4.5Å; Q92-M147 VanDerWaalsContact OE1-CB 3.31Å; V96-M147 HydrophobicContact CB-SD 4.1Å; V96-M147 HydrophobicContact CG1-CE 4.05Å; V96-M147 HydrophobicContact CG1-SD 3.32Å; V96-M147 WeakPolarHBondContact CG1-SD 3.38Å; G142-M147 VanDerWaalsContact O-O 3.13Å; G143-M147 WeakPolarHBondContact CA-O 3.34Å; G143-M147 VanDerWaalsContact O-CG 3.31Å; G143-M147 WeakPolarHBondContact O-CG 3.24Å; G143-M147 PolarHBondContact O-N 2.88Å
148	G	96	Very high	97	Very high	3 Å²	3	9.5 Å²	9.5	3%	0.031	6%	0.058	C	C	.	.			trans	110.4	162	179.9	0	0	0	0	0	112.5	Q92 H141	Q92-G148 PolarHBondContact NE2-O 2.6Å; H141-G148 PolarHBondContact CE1-O 2.91Å
149	A	97.5	Very high	97	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.058	C	C	.	.			trans	-155.7	155	176	0	0	0	0	0	112.8	M89 S151 Q152 Y153	M89-A149 HydrophobicContact CB-CB 4Å; M89-A149 HydrophobicContact CG-CB 3.44Å; M89-A149 VanDerWaalsContact CG-CB 3.44Å; M89-A149 HydrophobicContact SD-CB 3.45Å; M89-A149 WeakPolarHBondContact SD-CB 3.48Å; A149-S151 PolarHBondContact O-N 2.91Å; A149-Q152 HydrophobicContact CB-CG 4.43Å; A149-Q152 PolarHBondContact O-N 3.26Å; A149-Y153 WeakPolarHBondContact O-CD2 3.45Å; A149-Y153 WeakPolarHBondContact O-CE2 3.31Å
150	A	97.8	Very high	97	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.008	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-58.8	-30.5	172	0	0	0	0	0	113	Q152 Y153 I168 Q170	A150-Q152 PolarHBondContact O-N 3.49Å; A150-Y153 PolarHBondContact O-N 3.01Å; A150-I168 HydrophobicContact CB-CB 4.33Å; A150-I168 HydrophobicContact CB-CG2 3.65Å; A150-Q170 HydrophobicContact CB-CG 3.58Å
151	S	96.7	Very high	96.9	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.014	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-71.9	-8.5	-179.7	53.7	0	0	0	0	114.2	F108 A149 Y153 H468	F108-S151 WeakPolarHBondContact CE2-O 3.37Å; A149-S151 PolarHBondContact O-N 2.91Å; S151-Y153 PolarHBondContact O-N 3.44Å; S151-H468 PolarHBondContact O-CD2 3.32Å; S151-H468 PolarHBondContact O-NE2 3.43Å
152	Q	95.9	Very high	96.9	Very high	17 Å²	17	12.5 Å²	12.5	8%	0.079	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-80	3.7	173.7	-63.7	179.1	-74	0	0	113.2	F108 A149 A150 I469	F108-Q152 HydrophobicContact CE1-CG 3.85Å; F108-Q152 HydrophobicContact CZ-CG 4.05Å; A149-Q152 HydrophobicContact CB-CG 4.43Å; A149-Q152 PolarHBondContact O-N 3.26Å; A150-Q152 PolarHBondContact O-N 3.49Å; Q152-I469 WeakPolarHBondContact O-CD1 3.33Å
153	Y	96.6	Very high	96.9	Very high	25 Å²	25	15.3 Å²	15.3	10%	0.098	9%	0.085	C	C	.	.			trans	-136.3	135.2	-174.8	-51.5	-84.6	0	0	0	109.8	W139 H141 A149 A150 S151 I168 V456 F460	W139-Y153 AromaticContact CD1-CD2 3.93Å; W139-Y153 HydrophobicContact CZ2-CE1 4.1Å; W139-Y153 AromaticContact NE1-CD1 3.63Å; W139-Y153 AromaticContact NE1-CD2 3.69Å; W139-Y153 AromaticContact NE1-CE1 3.48Å; W139-Y153 AromaticContact NE1-CE2 3.57Å; W139-Y153 AromaticContact NE1-CG 3.74Å; W139-Y153 AromaticContact NE1-CZ 3.45Å; H141-Y153 HydrophobicContact CB-CD2 4.36Å; H141-Y153 HydrophobicContact CB-CE2 3.41Å; H141-Y153 VanDerWaalsContact CB-CE2 3.41Å; A149-Y153 WeakPolarHBondContact O-CD2 3.45Å; A149-Y153 WeakPolarHBondContact O-CE2 3.31Å; A150-Y153 PolarHBondContact O-N 3.01Å; S151-Y153 PolarHBondContact O-N 3.44Å; Y153-I168 HydrophobicContact CD2-CG2 4.38Å; Y153-V456 HydrophobicContact CD1-CG1 4.2Å; Y153-V456 HydrophobicContact CE1-CG1 3.77Å; Y153-F460 AromaticContact CD1-CD2 3.82Å; Y153-F460 HydrophobicContact CD1-CD2 3.82Å; Y153-F460 AromaticContact CD1-CE2 3.48Å; Y153-F460 HydrophobicContact CD1-CE2 3.48Å; Y153-F460 VanDerWaalsContact CD1-CE2 3.48Å; Y153-F460 HydrophobicContact CD1-CZ 4.05Å; Y153-F460 HydrophobicContact CE1-CE2 4.2Å; Y153-F460 HydrophobicContact CG-CE2 4.1Å; Y153-F460 HydrophobicContact CG-CZ 4.21Å
154	D	97.4	Very high	97	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.011	8%	0.076	C	C	.	.			trans	-111.5	109.6	169.8	-164.2	-33.9	0	0	0	110.3	R52 Y123 S156 W465 H468 I469	R52-D154 IonicContact NH1-OD2 2.98Å; Y123-D154 VanDerWaalsContact CE1-OD1 3.29Å; Y123-D154 WeakPolarHBondContact CE1-OD1 3.27Å; D154-S156 PolarHBondContact O-N 2.89Å; D154-S156 WeakPolarHBondContact OD1-CB 3.31Å; D154-S156 PolarHBondContact OD1-N 2.88Å; D154-S156 PolarHBondContact OD1-OG 3.4Å; D154-W465 HydrophobicContact CB-CD2 4.21Å; D154-W465 HydrophobicContact CB-CG 4.14Å; D154-W465 HydrophobicContact CB-CZ2 4.46Å; D154-W465 PolarHBondContact O-NE1 3.44Å; D154-H468 IonicContact OD2-CE1 3.93Å; D154-H468 IonicContact OD2-ND1 3.94Å; D154-H468 PolarHBondContact OD2-ND1 3.22Å; D154-I469 HydrophobicContact CB-CG2 3.74Å
155	G	98	Very high	97.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-4.2	180	0	0	0	0	0	114.7	S157 T159	G155-S157 PolarHBondContact O-N 3.02Å; G155-T159 WeakPolarHBondContact O-CB 3.35Å; G155-T159 PolarHBondContact O-N 2.94Å; G155-T159 PolarHBondContact O-OG1 3.32Å
156	S	98.3	Very high	97.4	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.021	7%	0.07	C	C	.	.	H	α-helix	trans	-62.4	-43.8	-172	-54	0	0	0	0	112.6	V41 V50 Y123 D154 T159 A160	V41-S156 WeakPolarHBondContact CG2-OG 3.37Å; V50-S156 WeakPolarHBondContact CG2-O 3.19Å; Y123-S156 WeakPolarHBondContact CD1-OG 3.12Å; D154-S156 PolarHBondContact O-N 2.89Å; D154-S156 WeakPolarHBondContact OD1-CB 3.31Å; D154-S156 PolarHBondContact OD1-N 2.88Å; D154-S156 PolarHBondContact OD1-OG 3.4Å; S156-T159 PolarHBondContact O-N 2.99Å; S156-A160 WeakPolarHBondContact O-CB 3.29Å; S156-A160 PolarHBondContact O-N 2.77Å
157	S	98.1	Very high	97.6	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.014	6%	0.057	C	C	.	.	H	α-helix	trans	-66.8	-52.3	-176.7	-46.6	0	0	0	0	111.1	G155 T159 A160 Y161 F460 G461	G155-S157 PolarHBondContact O-N 3.02Å; S157-T159 VanDerWaalsContact C-N 3.29Å; S157-T159 PolarHBondContact O-N 3.01Å; S157-A160 PolarHBondContact O-N 2.8Å; S157-A160 VanDerWaalsContact O-N 3.17Å; S157-Y161 VanDerWaalsContact O-CD2 3.26Å; S157-Y161 WeakPolarHBondContact O-CD2 3.26Å; S157-Y161 PolarHBondContact O-N 2.98Å; S157-F460 WeakPolarHBondContact CB-O 3.26Å; S157-G461 PolarHBondContact OG-O 3.21Å
158	L	98.5	Very high	97.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-54.4	-46.9	176.3	178.8	61.8	0	0	0	111.3	M137 A160 E162 I164 M487	M137-L158 HydrophobicContact SD-CD2 3.81Å; L158-A160 PolarHBondContact O-N 2.9Å; L158-E162 HydrophobicContact CD1-CB 4.34Å; L158-E162 HydrophobicContact CD1-CG 3.81Å; L158-E162 VanDerWaalsContact O-CB 3.29Å; L158-E162 WeakPolarHBondContact O-CB 3.47Å; L158-E162 PolarHBondContact O-N 3.41Å; L158-I164 HydrophobicContact CD1-CD1 4.38Å; L158-I164 HydrophobicContact CD2-CD1 4.34Å; L158-I164 HydrophobicContact CG-CD1 4.09Å; L158-M487 HydrophobicContact CB-SD 4.45Å; L158-M487 HydrophobicContact CD1-CB 4.17Å; L158-M487 HydrophobicContact CD1-CG 3.98Å; L158-M487 HydrophobicContact CD1-SD 4.49Å
159	T	98.6	Very high	98	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-56.9	-49.6	176.5	-62.7	0	0	0	0	112	V50 Y123 P125 G155 S156 S157 N163 I164 T166	V50-T159 HydrophobicContact CG1-CG2 4.03Å; V50-T159 HydrophobicContact CG2-CG2 3.73Å; Y123-T159 WeakPolarHBondContact CB-OG1 3.44Å; P125-T159 HydrophobicContact CG-CG2 3.84Å; G155-T159 WeakPolarHBondContact O-CB 3.35Å; G155-T159 PolarHBondContact O-N 2.94Å; G155-T159 PolarHBondContact O-OG1 3.32Å; S156-T159 PolarHBondContact O-N 2.99Å; S157-T159 VanDerWaalsContact C-N 3.29Å; S157-T159 PolarHBondContact O-N 3.01Å; T159-N163 VanDerWaalsContact O-CA 3.31Å; T159-N163 WeakPolarHBondContact O-CA 3.33Å; T159-N163 PolarHBondContact O-N 2.88Å; T159-I164 VanDerWaalsContact CG2-O 3.3Å; T159-I164 WeakPolarHBondContact CG2-O 3.42Å; T159-T166 WeakPolarHBondContact OG1-CB 3.41Å; T159-T166 PolarHBondContact OG1-OG1 2.76Å
160	A	97.8	Very high	98	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.008	4%	0.041	C	C	.	.	H	α-helix	trans	-70	-44.3	-176.2	0	0	0	0	0	113.1	V43 T46 R48 V50 S156 S157 L158	V43-A160 HydrophobicContact CB-CB 4.09Å; V43-A160 HydrophobicContact CG1-CB 4.31Å; V43-A160 HydrophobicContact CG2-CB 3.74Å; T46-A160 HydrophobicContact CG2-CB 4.24Å; R48-A160 HydrophobicContact CB-CB 4.26Å; R48-A160 WeakPolarHBondContact CD-O 3.43Å; R48-A160 PolarHBondContact NH1-O 2.93Å; V50-A160 HydrophobicContact CG2-CB 3.92Å; S156-A160 WeakPolarHBondContact O-CB 3.29Å; S156-A160 PolarHBondContact O-N 2.77Å; S157-A160 PolarHBondContact O-N 2.8Å; S157-A160 VanDerWaalsContact O-N 3.17Å; L158-A160 PolarHBondContact O-N 2.9Å
161	Y	97.9	Very high	98.1	Very high	42 Å²	42	8.5 Å²	8.5	17%	0.165	4%	0.04	C	C	.	.	H	α-helix	trans	-71.3	-42.7	-178.4	-80	-78.2	0	0	0	111.5	V43 K44 G45 T46 R48 S157 F464 R484 M487	V43-Y161 HydrophobicContact CG1-CD2 4.34Å; V43-Y161 HydrophobicContact CG1-CE2 3.82Å; K44-Y161 PolarHBondContact O-OH 3.28Å; G45-Y161 VanDerWaalsContact C-OH 3.26Å; G45-Y161 WeakPolarHBondContact CA-OH 3.27Å; G45-Y161 PolarHBondContact O-OH 3.26Å; T46-Y161 HydrophobicContact CG2-CE2 4.28Å; R48-Y161 PolarHBondContact NH1-O 3.41Å; S157-Y161 VanDerWaalsContact O-CD2 3.26Å; S157-Y161 WeakPolarHBondContact O-CD2 3.26Å; S157-Y161 PolarHBondContact O-N 2.98Å; Y161-F464 HydrophobicContact CE2-CB 4.35Å; Y161-F464 HydrophobicContact CE2-CD1 4.35Å; Y161-F464 AromaticContact CE2-CD2 3.88Å; Y161-F464 HydrophobicContact CE2-CD2 3.88Å; Y161-F464 HydrophobicContact CE2-CE2 4.3Å; Y161-F464 AromaticContact CE2-CG 3.92Å; Y161-F464 HydrophobicContact CE2-CG 3.92Å; Y161-R484 HydrophobicContact CD1-CG 4.41Å; Y161-R484 HydrophobicContact CE1-CG 4.22Å; Y161-M487 HydrophobicContact CD2-CE 3.64Å; Y161-M487 HydrophobicContact CD2-SD 4.26Å; Y161-M487 HydrophobicContact CE2-CE 4.25Å; Y161-M487 HydrophobicContact CG-CE 3.83Å
162	E	98.2	Very high	98.2	Very high	21 Å²	21	8.9 Å²	8.9	10%	0.098	4%	0.041	C	C	.	.	H	α-helix	trans	-96.3	-6	-173.6	-63	-54.3	132.1	0	0	114.9	L158 I164 M487 S488 R495	L158-E162 HydrophobicContact CD1-CB 4.34Å; L158-E162 HydrophobicContact CD1-CG 3.81Å; L158-E162 VanDerWaalsContact O-CB 3.29Å; L158-E162 WeakPolarHBondContact O-CB 3.47Å; L158-E162 PolarHBondContact O-N 3.41Å; E162-I164 VanDerWaalsContact C-N 3.32Å; E162-I164 HydrophobicContact CB-CD1 4.4Å; E162-I164 HydrophobicContact CB-CG1 4.18Å; E162-I164 HydrophobicContact CB-CG2 4.35Å; E162-I164 PolarHBondContact O-N 2.89Å; E162-M487 VanDerWaalsContact CD-C 3.49Å; E162-M487 VanDerWaalsContact CD-O 3.24Å; E162-M487 HydrophobicContact CG-CB 4.05Å; E162-M487 VanDerWaalsContact CG-O 3.28Å; E162-M487 WeakPolarHBondContact CG-O 3.46Å; E162-S488 VanDerWaalsContact CD-CA 3.47Å; E162-S488 VanDerWaalsContact OE1-CA 3.23Å; E162-S488 WeakPolarHBondContact OE1-CA 3.45Å; E162-S488 PolarHBondContact OE1-N 3.38Å; E162-R495 PolarHBondContact O-NH1 3.38Å; E162-R495 IonicContact OE2-CZ 2.73Å; E162-R495 IonicContact OE2-NH1 3.41Å; E162-R495 PolarHBondContact OE2-NH1 2.8Å; E162-R495 IonicContact OE2-NH2 3.66Å; E162-R495 PolarHBondContact OE2-NH2 2.84Å
163	N	97.1	Very high	98.3	Very high	61 Å²	61	8.2 Å²	8.2	33%	0.326	4%	0.039	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	51.2	-179.8	-165.9	57.5	0	0	0	111.8	T159	T159-N163 VanDerWaalsContact O-CA 3.31Å; T159-N163 WeakPolarHBondContact O-CA 3.33Å; T159-N163 PolarHBondContact O-N 2.88Å
164	I	98.4	Very high	98.2	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.042	C	C	.	.			trans	-126.5	161.2	175.8	64.5	173.6	0	0	0	109.2	P135 M137 L158 T159 E162	P135-I164 HydrophobicContact CB-CG2 4.25Å; P135-I164 HydrophobicContact CG-CG2 4.21Å; P135-I164 WeakPolarHBondContact O-CB 3.5Å; M137-I164 HydrophobicContact CB-CD1 4.1Å; M137-I164 HydrophobicContact CE-CD1 4.29Å; L158-I164 HydrophobicContact CD1-CD1 4.38Å; L158-I164 HydrophobicContact CD2-CD1 4.34Å; L158-I164 HydrophobicContact CG-CD1 4.09Å; T159-I164 VanDerWaalsContact CG2-O 3.3Å; T159-I164 WeakPolarHBondContact CG2-O 3.42Å; E162-I164 VanDerWaalsContact C-N 3.32Å; E162-I164 HydrophobicContact CB-CD1 4.4Å; E162-I164 HydrophobicContact CB-CG1 4.18Å; E162-I164 HydrophobicContact CB-CG2 4.35Å; E162-I164 PolarHBondContact O-N 2.89Å
165	V	98.9	Very high	98.2	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.8	169.3	175.5	0	0	0	0	109	V122 Y123 L134 P135 V136 M137 V167 I206	V122-V165 HydrophobicContact CG1-CG1 4.05Å; Y123-V165 WeakPolarHBondContact O-CA 2.96Å; L134-V165 HydrophobicContact CB-CG2 4.13Å; L134-V165 HydrophobicContact CD1-CG2 4.35Å; P135-V165 PolarHBondContact O-N 3.21Å; V136-V165 CarbonylContact C-O 3.59Å; V136-V165 VanDerWaalsContact CA-O 3.31Å; V136-V165 WeakPolarHBondContact CA-O 2.95Å; V136-V165 HydrophobicContact CG1-CG1 4.39Å; V136-V165 HydrophobicContact CG2-CB 4.26Å; M137-V165 PolarHBondContact N-O 3.28Å; V165-V167 HydrophobicContact CG1-CG2 4.3Å; V165-I206 HydrophobicContact CG1-CD1 3.81Å; V165-I206 HydrophobicContact CG1-CG1 4.13Å
166	T	98.9	Very high	98.2	Very high	1 Å²	1	9 Å²	9	1%	0.006	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.6	174.8	-51.8	0	0	0	0	109.6	Y123 M137 T159 I168 F460	Y123-T166 PolarHBondContact N-O 3.48Å; Y123-T166 PolarHBondContact O-N 3.1Å; M137-T166 CarbonylContact O-C 3.57Å; M137-T166 WeakPolarHBondContact O-CA 3.28Å; T159-T166 WeakPolarHBondContact OG1-CB 3.41Å; T159-T166 PolarHBondContact OG1-OG1 2.76Å; T166-I168 HydrophobicContact CG2-CD1 4.46Å; T166-I168 HydrophobicContact CG2-CG1 4.1Å; T166-F460 HydrophobicContact CG2-CE1 4.42Å
167	V	98.9	Very high	98.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.2	174.3	-175.5	0	0	0	0	108.1	L120 N121 V122 V136 M137 V138 W139 V165 I169 V202 I206	L120-V167 HydrophobicContact CB-CG1 4.36Å; L120-V167 HydrophobicContact CD1-CG1 4.19Å; L120-V167 HydrophobicContact CD2-CG1 4.37Å; N121-V167 CarbonylContact O-C 3.58Å; N121-V167 VanDerWaalsContact O-CA 3.27Å; N121-V167 WeakPolarHBondContact O-CA 3.35Å; V122-V167 HydrophobicContact CG2-CG1 4.41Å; V122-V167 HydrophobicContact CG2-CG2 4.28Å; V136-V167 HydrophobicContact CG1-CG2 3.78Å; M137-V167 PolarHBondContact O-N 2.87Å; V138-V167 CarbonylContact C-O 3.52Å; V138-V167 WeakPolarHBondContact CA-O 3.37Å; V138-V167 HydrophobicContact CG1-CB 4.44Å; V138-V167 HydrophobicContact CG1-CG1 4.49Å; V138-V167 HydrophobicContact CG2-CB 4.19Å; W139-V167 PolarHBondContact N-O 2.79Å; V165-V167 HydrophobicContact CG1-CG2 4.3Å; V167-I169 HydrophobicContact CG1-CG2 3.99Å; V167-V202 HydrophobicContact CG1-CG2 4.1Å; V167-V202 HydrophobicContact CG2-CG2 4.34Å; V167-I206 HydrophobicContact CG2-CD1 3.58Å; V167-I206 HydrophobicContact CG2-CG1 4.5Å
168	I	98.9	Very high	98.1	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.6	-179.9	-48.6	-173.2	0	0	0	108.1	L120 N121 Y123 W139 A150 Y153 T166 F460	L120-I168 CarbonylContact C-O 3.44Å; L120-I168 VanDerWaalsContact CA-O 3.3Å; L120-I168 WeakPolarHBondContact CA-O 3.43Å; N121-I168 HydrophobicContact CB-CB 4.42Å; N121-I168 PolarHBondContact N-O 3.25Å; N121-I168 PolarHBondContact O-N 2.91Å; Y123-I168 HydrophobicContact CD2-CD1 4.43Å; Y123-I168 HydrophobicContact CD2-CG1 4.47Å; Y123-I168 HydrophobicContact CE2-CD1 3.76Å; Y123-I168 HydrophobicContact CE2-CG1 4.04Å; W139-I168 HydrophobicContact CB-CG1 4.28Å; W139-I168 HydrophobicContact CB-CG2 4.32Å; W139-I168 HydrophobicContact CG-CG2 4.49Å; A150-I168 HydrophobicContact CB-CB 4.33Å; A150-I168 HydrophobicContact CB-CG2 3.65Å; Y153-I168 HydrophobicContact CD2-CG2 4.38Å; T166-I168 HydrophobicContact CG2-CD1 4.46Å; T166-I168 HydrophobicContact CG2-CG1 4.1Å; I168-F460 HydrophobicContact CD1-CE1 3.92Å; I168-F460 HydrophobicContact CD1-CZ 4.36Å
169	I	98.9	Very high	98	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	151.5	-169.8	71	173.6	0	0	0	111.5	L120 V138 W139 I140 V167 Q195 A198	L120-I169 HydrophobicContact CB-CB 4.37Å; L120-I169 HydrophobicContact CB-CG2 3.94Å; L120-I169 HydrophobicContact CD2-CG2 4.36Å; V138-I169 HydrophobicContact CG1-CD1 4.43Å; V138-I169 HydrophobicContact CG1-CG2 3.81Å; W139-I169 PolarHBondContact O-N 2.86Å; I140-I169 HydrophobicContact CG1-CD1 4.09Å; I140-I169 HydrophobicContact CG1-CG1 4.45Å; V167-I169 HydrophobicContact CG1-CG2 3.99Å; I169-Q195 HydrophobicContact CD1-CB 4.07Å; I169-Q195 HydrophobicContact CD1-CG 3.97Å; I169-A198 HydrophobicContact CB-CB 4.11Å; I169-A198 HydrophobicContact CD1-CB 3.96Å; I169-A198 HydrophobicContact CG2-CB 3.79Å
170	Q	98.8	Very high	97.9	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	5%	0.049	C	C	.	.			trans	-99.9	161.3	160.8	-67	-144.5	106.5	0	0	111.4	F58 P88 C117 Y119 A150	F58-Q170 WeakPolarHBondContact CE1-O 3.44Å; F58-Q170 VanDerWaalsContact CZ-O 3.25Å; F58-Q170 WeakPolarHBondContact CZ-O 3.4Å; P88-Q170 PolarHBondContact O-NE2 2.86Å; C117-Q170 WeakPolarHBondContact O-CB 3.48Å; C117-Q170 PolarHBondContact O-NE2 2.94Å; C117-Q170 VanDerWaalsContact O-NE2 3.07Å; Y119-Q170 WeakPolarHBondContact O-CB 3.44Å; Y119-Q170 PolarHBondContact O-N 3.37Å; A150-Q170 HydrophobicContact CB-CG 3.58Å
171	Y	98.9	Very high	97.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.05	C	C	.	.			trans	-152.4	153.9	173.4	58.3	-85.6	0	0	0	109.7	C90 I140 H141 L145 L173 F178 G191 Q195	C90-Y171 PolarHBondContact SG-O 3.26Å; I140-Y171 HydrophobicContact CG2-CD1 4.15Å; I140-Y171 HydrophobicContact CG2-CE1 3.67Å; H141-Y171 AromaticContact CD2-CE1 3.75Å; H141-Y171 AromaticContact CE1-CE1 3.57Å; H141-Y171 AromaticContact CE1-CZ 3.73Å; H141-Y171 AromaticContact ND1-CE1 3.91Å; H141-Y171 AromaticContact NE2-CD1 3.85Å; H141-Y171 AromaticContact NE2-CE1 3.47Å; H141-Y171 WeakPolarHBondContact NE2-CE1 3.45Å; H141-Y171 PolarHBondContact O-OH 2.92Å; L145-Y171 HydrophobicContact CD2-CE2 4Å; Y171-L173 HydrophobicContact CD2-CD2 3.93Å; Y171-L173 HydrophobicContact CE2-CD2 3.4Å; Y171-L173 VanDerWaalsContact CE2-CD2 3.4Å; Y171-F178 HydrophobicContact CD2-CE2 4.4Å; Y171-F178 HydrophobicContact CD2-CZ 4.23Å; Y171-F178 HydrophobicContact CE2-CE2 4.3Å; Y171-F178 HydrophobicContact CE2-CZ 4.14Å; Y171-G191 WeakPolarHBondContact CB-O 3.22Å; Y171-Q195 HydrophobicContact CD1-CG 4Å; Y171-Q195 HydrophobicContact CG-CG 3.92Å
172	R	98.8	Very high	97.8	Very high	10 Å²	10	10 Å²	10	4%	0.038	7%	0.069	C	C	.	.			trans	-60.3	143.4	178.4	-77.1	171.5	-76.9	-178.3	1.4	111.5	P62 A69 L118 F178 W190 G191 D194	P62-R172 HydrophobicContact CG-CG 4.14Å; A69-R172 VanDerWaalsContact O-CZ 3.3Å; A69-R172 PolarHBondContact O-NH1 3.45Å; A69-R172 PolarHBondContact O-NH2 3.21Å; L118-R172 HydrophobicContact CD2-CG 4.18Å; R172-F178 VanDerWaalsContact O-CE2 3.24Å; R172-F178 WeakPolarHBondContact O-CE2 3.46Å; R172-W190 PolarHBondContact NH2-O 3.48Å; R172-G191 WeakPolarHBondContact O-CA 3.23Å; R172-D194 VanDerWaalsContact CB-OD2 3.25Å; R172-D194 WeakPolarHBondContact CB-OD2 3.43Å; R172-D194 VanDerWaalsContact CG-OD2 3.3Å; R172-D194 WeakPolarHBondContact CG-OD2 3.48Å; R172-D194 IonicContact CZ-OD1 2.65Å; R172-D194 IonicContact CZ-OD2 2.74Å; R172-D194 PolarHBondContact N-OD2 2.8Å; R172-D194 IonicContact NE-OD1 3.61Å; R172-D194 PolarHBondContact NE-OD1 3.01Å; R172-D194 IonicContact NE-OD2 3.45Å; R172-D194 PolarHBondContact NE-OD2 3.39Å; R172-D194 IonicContact NH2-OD1 3.41Å; R172-D194 PolarHBondContact NH2-OD1 2.94Å; R172-D194 IonicContact NH2-OD2 3.56Å
173	L	98	Very high	97.6	Very high	4 Å²	4	11 Å²	11	2%	0.021	8%	0.075	C	C	.	.			trans	-116.4	163.2	-174.7	-59.2	171	0	0	0	112	C90 Q92 L145 Y171 L176 G177	C90-L173 HydrophobicContact CB-CD1 4.11Å; C90-L173 HydrophobicContact CB-CG 4.22Å; Q92-L173 HydrophobicContact CB-CD1 4.48Å; L145-L173 CarbonylContact O-C 3.5Å; L145-L173 WeakPolarHBondContact O-CA 3.35Å; Y171-L173 HydrophobicContact CD2-CD2 3.93Å; Y171-L173 HydrophobicContact CE2-CD2 3.4Å; Y171-L173 VanDerWaalsContact CE2-CD2 3.4Å; L173-L176 PolarHBondContact O-N 3.44Å; L173-G177 PolarHBondContact O-N 2.79Å
174	G	95.9	Very high	97.5	Very high	16 Å²	16	15 Å²	15	17%	0.165	9%	0.092	C	C	.	.	H	α-helix	trans	53	-136.8	172.5	0	0	0	0	0	113.4	L145 L176 G177 F178	L145-G174 PolarHBondContact O-N 2.87Å; G174-L176 VanDerWaalsContact C-N 3.25Å; G174-L176 PolarHBondContact O-N 2.78Å; G174-G177 PolarHBondContact O-N 3.39Å; G174-F178 PolarHBondContact O-N 3.36Å
175	I	96.5	Very high	97.3	Very high	15 Å²	15	17.8 Å²	17.8	8%	0.077	11%	0.105	C	C	.	.	H	α-helix	trans	-58.1	-39.1	-179.2	-65.2	163.8	0	0	0	111.4	M68 G177 L179 V268 F294 V297 L305	M68-I175 HydrophobicContact CE-CG2 3.59Å; I175-G177 VanDerWaalsContact C-N 3.33Å; I175-G177 PolarHBondContact O-N 2.7Å; I175-L179 HydrophobicContact CG2-CB 4.22Å; I175-L179 WeakPolarHBondContact O-CB 3.45Å; I175-L179 PolarHBondContact O-N 3.1Å; I175-V268 HydrophobicContact CD1-CG1 3.7Å; I175-V268 HydrophobicContact CD1-CG2 4.34Å; I175-V268 HydrophobicContact CG1-CG1 3.92Å; I175-V268 HydrophobicContact CG1-CG2 4.05Å; I175-V268 HydrophobicContact CG2-CG1 4.07Å; I175-F294 HydrophobicContact CB-CD1 4.15Å; I175-F294 HydrophobicContact CB-CE1 4.26Å; I175-F294 HydrophobicContact CD1-CD1 4.01Å; I175-F294 HydrophobicContact CD1-CE1 4.48Å; I175-F294 HydrophobicContact CG2-CD1 4.07Å; I175-F294 HydrophobicContact CG2-CE1 3.67Å; I175-V297 HydrophobicContact CD1-CB 4.36Å; I175-V297 HydrophobicContact CD1-CG1 3.75Å; I175-L305 HydrophobicContact CG1-CD1 4.23Å
176	L	97.3	Very high	97.2	Very high	12 Å²	12	17.8 Å²	17.8	6%	0.063	11%	0.105	C	C	.	.	H	α-helix	trans	-71.5	-28.4	-178.2	-64.8	173	0	0	0	112.8	R67 M68 V91 E115 L173 G174 F294	R67-L176 HydrophobicContact CG-CD2 3.68Å; M68-L176 HydrophobicContact CE-CD2 4.33Å; V91-L176 HydrophobicContact CB-CD1 3.81Å; V91-L176 HydrophobicContact CG1-CD1 4.19Å; V91-L176 HydrophobicContact CG2-CD1 3.93Å; E115-L176 HydrophobicContact CG-CD1 4.06Å; L173-L176 PolarHBondContact O-N 3.44Å; G174-L176 VanDerWaalsContact C-N 3.25Å; G174-L176 PolarHBondContact O-N 2.78Å; L176-F294 HydrophobicContact CD1-CD2 4.19Å; L176-F294 HydrophobicContact CD2-CD2 4.02Å; L176-F294 HydrophobicContact CD2-CE2 3.63Å; L176-F294 HydrophobicContact CD2-CZ 3.91Å; L176-F294 HydrophobicContact CG-CD2 4.22Å; L176-F294 HydrophobicContact CG-CE2 4.31Å
177	G	97.7	Very high	97	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-91.9	-29.7	179.3	0	0	0	0	0	114.8	L173 G174 I175 W190 G191	L173-G177 PolarHBondContact O-N 2.79Å; G174-G177 PolarHBondContact O-N 3.39Å; I175-G177 VanDerWaalsContact C-N 3.33Å; I175-G177 PolarHBondContact O-N 2.7Å; G177-W190 CarbonylContact O-C 3.53Å; G177-W190 WeakPolarHBondContact O-CA 3.38Å; G177-W190 VanDerWaalsContact O-CB 3.26Å; G177-W190 WeakPolarHBondContact O-CB 3.45Å; G177-W190 PolarHBondContact O-N 2.88Å; G177-G191 PolarHBondContact O-N 2.74Å
178	F	97.3	Very high	96.9	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-138.2	-0.9	-160.5	-63.7	-86	0	0	0	115.2	L145 Y171 R172 G174 S180 L192 L305	L145-F178 HydrophobicContact CB-CD2 4.07Å; L145-F178 HydrophobicContact CB-CE2 3.68Å; L145-F178 HydrophobicContact CB-CZ 3.95Å; L145-F178 HydrophobicContact CD1-CD1 4.14Å; L145-F178 HydrophobicContact CD1-CE1 3.75Å; L145-F178 HydrophobicContact CD1-CE2 4.39Å; L145-F178 HydrophobicContact CD1-CZ 3.92Å; L145-F178 HydrophobicContact CD2-CE1 4.3Å; L145-F178 HydrophobicContact CD2-CE2 4.29Å; L145-F178 HydrophobicContact CD2-CZ 3.75Å; L145-F178 HydrophobicContact CG-CE1 4.41Å; L145-F178 HydrophobicContact CG-CE2 4.33Å; L145-F178 HydrophobicContact CG-CZ 4.08Å; Y171-F178 HydrophobicContact CD2-CE2 4.4Å; Y171-F178 HydrophobicContact CD2-CZ 4.23Å; Y171-F178 HydrophobicContact CE2-CE2 4.3Å; Y171-F178 HydrophobicContact CE2-CZ 4.14Å; R172-F178 VanDerWaalsContact O-CE2 3.24Å; R172-F178 WeakPolarHBondContact O-CE2 3.46Å; G174-F178 PolarHBondContact O-N 3.36Å; F178-S180 PolarHBondContact O-N 3.25Å; F178-L192 HydrophobicContact CE1-CD1 4.27Å; F178-L192 HydrophobicContact CE1-CD2 4.47Å; F178-L192 HydrophobicContact CE1-CG 3.9Å; F178-L305 HydrophobicContact CB-CB 3.51Å; F178-L305 WeakPolarHBondContact CB-O 3.28Å; F178-L305 WeakPolarHBondContact CG-O 3.32Å
179	L	96.6	Very high	96.9	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.12	C	C	.	.			trans	-59.8	128.1	172.9	-177.2	84.4	0	0	0	110.6	M68 I175 G188 W190 A265 V268 L286 L305	M68-L179 HydrophobicContact CE-CB 4.43Å; M68-L179 HydrophobicContact CE-CD2 3.8Å; M68-L179 HydrophobicContact SD-CD2 3.62Å; I175-L179 HydrophobicContact CG2-CB 4.22Å; I175-L179 WeakPolarHBondContact O-CB 3.45Å; I175-L179 PolarHBondContact O-N 3.1Å; L179-G188 WeakPolarHBondContact O-CA 3.43Å; L179-W190 PolarHBondContact O-NE1 3.32Å; L179-A265 HydrophobicContact CD1-CB 4.09Å; L179-V268 HydrophobicContact CD1-CB 4.06Å; L179-V268 HydrophobicContact CD1-CG1 4.05Å; L179-V268 HydrophobicContact CD1-CG2 4.1Å; L179-L286 HydrophobicContact CD1-CD1 4.36Å; L179-L286 HydrophobicContact CD2-CD1 3.31Å; L179-L286 HydrophobicContact CG-CD1 4.46Å; L179-L305 HydrophobicContact CB-CD1 4.5Å
180	S	97.1	Very high	96.9	Very high	6 Å²	6	22.4 Å²	22.4	4%	0.042	12%	0.124	C	C	.	.			trans	-133	136.6	171.9	176.8	0	0	0	0	110.6	F178 G182 A186 K187 P261 A265 A308	F178-S180 PolarHBondContact O-N 3.25Å; S180-G182 PolarHBondContact OG-N 2.92Å; S180-G182 VanDerWaalsContact OG-N 3.12Å; S180-A186 CarbonylContact C-O 3.54Å; S180-A186 VanDerWaalsContact CA-O 3.22Å; S180-A186 WeakPolarHBondContact CA-O 3.48Å; S180-A186 PolarHBondContact OG-O 3.06Å; S180-K187 VanDerWaalsContact CB-O 3.31Å; S180-K187 WeakPolarHBondContact CB-O 3.11Å; S180-K187 PolarHBondContact OG-O 2.73Å; S180-P261 WeakPolarHBondContact OG-CG 3.34Å; S180-A265 WeakPolarHBondContact O-CB 3.44Å; S180-A308 WeakPolarHBondContact OG-CB 3.35Å
181	T	96.7	Very high	96.9	Very high	4 Å²	4	22.3 Å²	22.3	3%	0.025	12%	0.124	C	C	.	.			trans	-92.3	-7.4	169.1	47.1	0	0	0	0	112.2	D183 A186 T279 L282 V283	T181-D183 VanDerWaalsContact C-N 3.26Å; T181-D183 WeakPolarHBondContact CB-OD1 3.4Å; T181-D183 PolarHBondContact OG1-OD1 3.15Å; T181-A186 HydrophobicContact CG2-CB 4.28Å; T181-A186 PolarHBondContact N-O 2.92Å; T181-A186 PolarHBondContact OG1-N 3.27Å; T181-A186 VanDerWaalsContact OG1-N 3.11Å; T181-A186 PolarHBondContact OG1-O 3.29Å; T181-T279 HydrophobicContact CG2-CG2 3.9Å; T181-L282 HydrophobicContact CG2-CD2 4.42Å; T181-V283 HydrophobicContact CG2-CG2 4.01Å
182	G	95.2	Very high	96.8	Very high	55 Å²	55	22.4 Å²	22.4	57%	0.567	12%	0.124	S	C	*	.	S	Bend	trans	75.5	11.4	-175.9	0	0	0	0	0	114.3	S180	S180-G182 PolarHBondContact OG-N 2.92Å; S180-G182 VanDerWaalsContact OG-N 3.12Å
183	D	95.1	Very high	96.9	Very high	41 Å²	41	23.3 Å²	23.3	22%	0.219	13%	0.13	C	C	.	.	S	Bend	trans	-137.8	-174.1	179.9	65.6	19	0	0	0	111.4	T181 H185 A186 K187 T279	T181-D183 VanDerWaalsContact C-N 3.26Å; T181-D183 WeakPolarHBondContact CB-OD1 3.4Å; T181-D183 PolarHBondContact OG1-OD1 3.15Å; D183-H185 PolarHBondContact O-N 2.84Å; D183-H185 WeakPolarHBondContact OD1-CB 3.44Å; D183-H185 IonicContact OD1-CD2 3.98Å; D183-H185 IonicContact OD1-CG 3.83Å; D183-H185 PolarHBondContact OD1-N 3.28Å; D183-H185 IonicContact OD2-CD2 2.77Å; D183-A186 CarbonylContact O-C 3.55Å; D183-K187 PolarHBondContact O-N 2.83Å; D183-T279 WeakPolarHBondContact OD2-CB 3.33Å; D183-T279 WeakPolarHBondContact OD2-CG2 3.43Å; D183-T279 PolarHBondContact OD2-OG1 2.73Å
184	E	94.6	Very high	96.9	Very high	146 Å²	146	23.1 Å²	23.1	68%	0.682	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.5	-176.8	65.1	-91.6	-149.3	0	0	114.7
185	H	95.2	Very high	97	Very high	58 Å²	58	22.3 Å²	22.3	27%	0.269	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-34.2	-175.5	-59.5	-61.3	0	0	0	112.1	D183 T279 V283	D183-H185 PolarHBondContact O-N 2.84Å; D183-H185 WeakPolarHBondContact OD1-CB 3.44Å; D183-H185 IonicContact OD1-CD2 3.98Å; D183-H185 IonicContact OD1-CG 3.83Å; D183-H185 PolarHBondContact OD1-N 3.28Å; D183-H185 IonicContact OD2-CD2 2.77Å; H185-T279 PolarHBondContact CD2-OG1 2.59Å; H185-V283 HydrophobicContact CB-CG2 4.21Å
186	A	96.1	Very high	97.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.			trans	-153.5	93.3	168.1	0	0	0	0	0	110.5	S180 T181 D183 G188 W190 V283	S180-A186 CarbonylContact C-O 3.54Å; S180-A186 VanDerWaalsContact CA-O 3.22Å; S180-A186 WeakPolarHBondContact CA-O 3.48Å; S180-A186 PolarHBondContact OG-O 3.06Å; T181-A186 HydrophobicContact CG2-CB 4.28Å; T181-A186 PolarHBondContact N-O 2.92Å; T181-A186 PolarHBondContact OG1-N 3.27Å; T181-A186 VanDerWaalsContact OG1-N 3.11Å; T181-A186 PolarHBondContact OG1-O 3.29Å; D183-A186 CarbonylContact O-C 3.55Å; A186-G188 VanDerWaalsContact C-N 3.27Å; A186-G188 PolarHBondContact O-N 3.47Å; A186-W190 HydrophobicContact CB-CZ2 4.2Å; A186-V283 HydrophobicContact CB-CG2 3.62Å
187	K	95.6	Very high	97.2	Very high	77 Å²	77	22.3 Å²	22.3	34%	0.335	12%	0.123	S	C	.	.			trans	-61.7	-33.9	176.3	-67.3	-174.1	178.7	179.7	0	112.9	S180 D183 W190 D310 E312	S180-K187 VanDerWaalsContact CB-O 3.31Å; S180-K187 WeakPolarHBondContact CB-O 3.11Å; S180-K187 PolarHBondContact OG-O 2.73Å; D183-K187 PolarHBondContact O-N 2.83Å; K187-W190 HydrophobicContact CB-CH2 4.24Å; K187-D310 HydrophobicContact CB-CB 4.45Å; K187-E312 IonicContact NZ-OE1 3.34Å; K187-E312 PolarHBondContact NZ-OE1 2.76Å; K187-E312 IonicContact NZ-OE2 3.41Å
188	G	96.4	Very high	97.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.123	C	C	.	.			trans	97.4	-158.5	-179.6	0	0	0	0	0	113.4	L179 A186 W190	L179-G188 WeakPolarHBondContact O-CA 3.43Å; A186-G188 VanDerWaalsContact C-N 3.27Å; A186-G188 PolarHBondContact O-N 3.47Å; G188-W190 VanDerWaalsContact O-CE3 3.3Å; G188-W190 PolarHBondContact O-N 2.87Å; G188-W190 VanDerWaalsContact O-N 3.09Å
189	N	98.1	Very high	97.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.			trans	59.9	16.3	177.3	-58.9	-28.8	0	0	0	115.3	G191 L192 L193 A307 A308 D310 F313	N189-G191 VanDerWaalsContact C-N 3.3Å; N189-G191 PolarHBondContact O-N 2.92Å; N189-L192 HydrophobicContact CB-CB 4.4Å; N189-L192 HydrophobicContact CB-CD1 4.28Å; N189-L192 CarbonylContact O-C 3.57Å; N189-L192 WeakPolarHBondContact O-CA 3.45Å; N189-L192 WeakPolarHBondContact O-CB 3.39Å; N189-L192 PolarHBondContact O-N 2.03Å; N189-L193 WeakPolarHBondContact O-CG 3.06Å; N189-L193 PolarHBondContact O-N 2.91Å; N189-A307 WeakPolarHBondContact OD1-CA 3.19Å; N189-A308 PolarHBondContact ND2-O 3.5Å; N189-A308 PolarHBondContact OD1-N 2.94Å; N189-D310 PolarHBondContact ND2-OD2 2.69Å; N189-F313 HydrophobicContact CB-CD1 4.27Å
190	W	98.5	Very high	97.5	Very high	20 Å²	20	27.5 Å²	27.5	8%	0.076	14%	0.143	C	C	.	.	H	α-helix	trans	-55.4	-42.9	-175.2	-39.2	118.7	0	0	0	112.7	M68 A69 R172 G177 L179 A186 K187 G188 L192 L193 D194	M68-W190 HydrophobicContact CB-CZ2 4.44Å; M68-W190 WeakPolarHBondContact O-CZ2 3.22Å; A69-W190 VanDerWaalsContact C-CE3 3.4Å; R172-W190 PolarHBondContact NH2-O 3.48Å; G177-W190 CarbonylContact O-C 3.53Å; G177-W190 WeakPolarHBondContact O-CA 3.38Å; G177-W190 VanDerWaalsContact O-CB 3.26Å; G177-W190 WeakPolarHBondContact O-CB 3.45Å; G177-W190 PolarHBondContact O-N 2.88Å; L179-W190 PolarHBondContact O-NE1 3.32Å; A186-W190 HydrophobicContact CB-CZ2 4.2Å; K187-W190 HydrophobicContact CB-CH2 4.24Å; G188-W190 VanDerWaalsContact O-CE3 3.3Å; G188-W190 PolarHBondContact O-N 2.87Å; G188-W190 VanDerWaalsContact O-N 3.09Å; W190-L192 PolarHBondContact O-N 3.22Å; W190-L193 HydrophobicContact CE3-CD1 4.02Å; W190-L193 HydrophobicContact CZ3-CD1 4.34Å; W190-L193 PolarHBondContact O-N 3.16Å; W190-D194 PolarHBondContact O-N 3.41Å
191	G	98.6	Very high	97.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.2	-36.7	174.6	0	0	0	0	0	113.2	Y171 R172 G177 N189 D194 Q195	Y171-G191 WeakPolarHBondContact CB-O 3.22Å; R172-G191 WeakPolarHBondContact O-CA 3.23Å; G177-G191 PolarHBondContact O-N 2.74Å; N189-G191 VanDerWaalsContact C-N 3.3Å; N189-G191 PolarHBondContact O-N 2.92Å; G191-D194 WeakPolarHBondContact O-CB 3.49Å; G191-D194 PolarHBondContact O-N 2.63Å; G191-Q195 WeakPolarHBondContact O-CG 3.33Å; G191-Q195 PolarHBondContact O-N 3.05Å; G191-Q195 VanDerWaalsContact O-N 3.09Å
192	L	98.8	Very high	97.7	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-73.1	-34.4	175.6	-62	165.4	0	0	0	111.6	F178 N189 W190 D194 Q195 L196 S227 I230 A307 F313	F178-L192 HydrophobicContact CE1-CD1 4.27Å; F178-L192 HydrophobicContact CE1-CD2 4.47Å; F178-L192 HydrophobicContact CE1-CG 3.9Å; N189-L192 HydrophobicContact CB-CB 4.4Å; N189-L192 HydrophobicContact CB-CD1 4.28Å; N189-L192 CarbonylContact O-C 3.57Å; N189-L192 WeakPolarHBondContact O-CA 3.45Å; N189-L192 WeakPolarHBondContact O-CB 3.39Å; N189-L192 PolarHBondContact O-N 2.03Å; W190-L192 PolarHBondContact O-N 3.22Å; L192-D194 VanDerWaalsContact C-N 3.3Å; L192-Q195 WeakPolarHBondContact O-CB 3.49Å; L192-Q195 PolarHBondContact O-N 3.4Å; L192-L196 PolarHBondContact O-N 2.86Å; L192-S227 WeakPolarHBondContact CD2-OG 3.46Å; L192-I230 HydrophobicContact CD1-CG2 4.18Å; L192-A307 HydrophobicContact CD1-CB 3.5Å; L192-F313 HydrophobicContact CB-CD1 4.49Å; L192-F313 HydrophobicContact CB-CE1 3.79Å; L192-F313 HydrophobicContact CB-CE2 4.1Å; L192-F313 HydrophobicContact CB-CZ 3.56Å; L192-F313 HydrophobicContact CD1-CD1 4.37Å; L192-F313 HydrophobicContact CD1-CE1 3.64Å; L192-F313 HydrophobicContact CD1-CZ 4.19Å; L192-F313 HydrophobicContact CG-CE1 4.23Å; L192-F313 HydrophobicContact CG-CZ 4.29Å
193	L	98.9	Very high	97.8	Very high	29 Å²	29	27.1 Å²	27.1	15%	0.152	13%	0.125	C	C	.	.	H	α-helix	trans	-67.4	-32.4	171.9	-65.8	173.6	0	0	0	111.4	A70 P71 N189 W190 L196 A197 F313	A70-L193 HydrophobicContact CB-CD1 4.13Å; P71-L193 HydrophobicContact CG-CB 4.21Å; P71-L193 WeakPolarHBondContact CG-O 3.34Å; N189-L193 WeakPolarHBondContact O-CG 3.06Å; N189-L193 PolarHBondContact O-N 2.91Å; W190-L193 HydrophobicContact CE3-CD1 4.02Å; W190-L193 HydrophobicContact CZ3-CD1 4.34Å; W190-L193 PolarHBondContact O-N 3.16Å; L193-L196 HydrophobicContact CD2-CD2 4.41Å; L193-L196 WeakPolarHBondContact O-CB 3.39Å; L193-L196 PolarHBondContact O-N 3.37Å; L193-A197 WeakPolarHBondContact O-CB 3.36Å; L193-A197 PolarHBondContact O-N 3.22Å; L193-F313 HydrophobicContact CD2-CB 4.33Å; L193-F313 HydrophobicContact CD2-CD2 3.91Å; L193-F313 HydrophobicContact CD2-CG 4.36Å
194	D	98.9	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.6	-44.8	171.1	-59.6	-28	0	0	0	111	F58 P71 L118 R172 W190 G191 L192 L196 A197 A198	F58-D194 HydrophobicContact CE2-CB 4.3Å; F58-D194 VanDerWaalsContact CE2-O 3.26Å; F58-D194 WeakPolarHBondContact CE2-O 3.23Å; F58-D194 HydrophobicContact CZ-CB 4.31Å; P71-D194 WeakPolarHBondContact CB-OD1 3.13Å; P71-D194 WeakPolarHBondContact CG-OD1 3.41Å; L118-D194 HydrophobicContact CD2-CB 3.99Å; L118-D194 WeakPolarHBondContact CD2-OD2 3.38Å; R172-D194 VanDerWaalsContact CB-OD2 3.25Å; R172-D194 WeakPolarHBondContact CB-OD2 3.43Å; R172-D194 VanDerWaalsContact CG-OD2 3.3Å; R172-D194 WeakPolarHBondContact CG-OD2 3.48Å; R172-D194 IonicContact CZ-OD1 2.65Å; R172-D194 IonicContact CZ-OD2 2.74Å; R172-D194 PolarHBondContact N-OD2 2.8Å; R172-D194 IonicContact NE-OD1 3.61Å; R172-D194 PolarHBondContact NE-OD1 3.01Å; R172-D194 IonicContact NE-OD2 3.45Å; R172-D194 PolarHBondContact NE-OD2 3.39Å; R172-D194 IonicContact NH2-OD1 3.41Å; R172-D194 PolarHBondContact NH2-OD1 2.94Å; R172-D194 IonicContact NH2-OD2 3.56Å; W190-D194 PolarHBondContact O-N 3.41Å; G191-D194 WeakPolarHBondContact O-CB 3.49Å; G191-D194 PolarHBondContact O-N 2.63Å; L192-D194 VanDerWaalsContact C-N 3.3Å; D194-L196 VanDerWaalsContact C-N 3.29Å; D194-L196 PolarHBondContact O-N 2.83Å; D194-A197 PolarHBondContact O-N 3.02Å; D194-A197 VanDerWaalsContact O-N 3.16Å; D194-A198 PolarHBondContact O-N 3.45Å
195	Q	98.9	Very high	98.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.7	-42.4	174.5	-63.7	166.9	7.1	0	0	111	I140 I169 Y171 G191 L192 A197 A198 L199 S227 L231	I140-Q195 HydrophobicContact CG2-CG 4.33Å; I169-Q195 HydrophobicContact CD1-CB 4.07Å; I169-Q195 HydrophobicContact CD1-CG 3.97Å; Y171-Q195 HydrophobicContact CD1-CG 4Å; Y171-Q195 HydrophobicContact CG-CG 3.92Å; G191-Q195 WeakPolarHBondContact O-CG 3.33Å; G191-Q195 PolarHBondContact O-N 3.05Å; G191-Q195 VanDerWaalsContact O-N 3.09Å; L192-Q195 WeakPolarHBondContact O-CB 3.49Å; L192-Q195 PolarHBondContact O-N 3.4Å; Q195-A197 PolarHBondContact O-N 3.25Å; Q195-A198 PolarHBondContact O-N 3Å; Q195-L199 WeakPolarHBondContact O-CG 3.33Å; Q195-L199 PolarHBondContact O-N 3Å; Q195-S227 PolarHBondContact NE2-OG 2.78Å; Q195-S227 PolarHBondContact OE1-OG 3.09Å; Q195-L231 HydrophobicContact CB-CD1 4.32Å
196	L	98.8	Very high	98.3	Very high	8 Å²	8	21.1 Å²	21.1	4%	0.042	10%	0.096	C	C	.	.	H	α-helix	trans	-62.4	-41.7	174.7	-168.5	75.1	0	0	0	112.2	L192 L193 D194 L199 R200 L236 L240	L192-L196 PolarHBondContact O-N 2.86Å; L193-L196 HydrophobicContact CD2-CD2 4.41Å; L193-L196 WeakPolarHBondContact O-CB 3.39Å; L193-L196 PolarHBondContact O-N 3.37Å; D194-L196 VanDerWaalsContact C-N 3.29Å; D194-L196 PolarHBondContact O-N 2.83Å; L196-L199 PolarHBondContact O-N 3.48Å; L196-R200 WeakPolarHBondContact O-CG 3.39Å; L196-R200 PolarHBondContact O-N 3.49Å; L196-L236 HydrophobicContact CD1-CB 4.46Å; L196-L236 HydrophobicContact CD2-CB 3.78Å; L196-L236 HydrophobicContact CD2-CD1 4.3Å; L196-L240 HydrophobicContact CD1-CD1 3.37Å; L196-L240 HydrophobicContact CG-CD1 4.1Å
197	A	98.9	Very high	98.3	Very high	19 Å²	19	26.3 Å²	26.3	16%	0.157	12%	0.12	C	C	.	.	H	α-helix	trans	-64.7	-40.8	176.3	0	0	0	0	0	111.8	F58 P71 L193 D194 Q195 L199 R200 W201	F58-A197 HydrophobicContact CD2-CB 4.16Å; F58-A197 HydrophobicContact CE2-CB 4.22Å; P71-A197 HydrophobicContact CB-CB 4.19Å; P71-A197 HydrophobicContact CG-CB 3.72Å; L193-A197 WeakPolarHBondContact O-CB 3.36Å; L193-A197 PolarHBondContact O-N 3.22Å; D194-A197 PolarHBondContact O-N 3.02Å; D194-A197 VanDerWaalsContact O-N 3.16Å; Q195-A197 PolarHBondContact O-N 3.25Å; A197-L199 VanDerWaalsContact C-N 3.35Å; A197-L199 PolarHBondContact O-N 2.97Å; A197-R200 PolarHBondContact O-N 3.45Å; A197-W201 PolarHBondContact O-N 2.98Å
198	A	98.9	Very high	98.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.1	-40	173.8	0	0	0	0	0	111.8	F58 L120 I169 D194 Q195 W201 V202	F58-A198 HydrophobicContact CD1-CB 4.16Å; F58-A198 HydrophobicContact CD2-CB 3.87Å; F58-A198 HydrophobicContact CE1-CB 4.2Å; F58-A198 HydrophobicContact CE2-CB 3.94Å; F58-A198 HydrophobicContact CG-CB 4Å; F58-A198 HydrophobicContact CZ-CB 4.1Å; L120-A198 HydrophobicContact CD2-CB 4.32Å; I169-A198 HydrophobicContact CB-CB 4.11Å; I169-A198 HydrophobicContact CD1-CB 3.96Å; I169-A198 HydrophobicContact CG2-CB 3.79Å; D194-A198 PolarHBondContact O-N 3.45Å; Q195-A198 PolarHBondContact O-N 3Å; A198-W201 WeakPolarHBondContact O-CB 3.27Å; A198-W201 PolarHBondContact O-N 3.38Å; A198-V202 WeakPolarHBondContact O-CG2 3.17Å; A198-V202 PolarHBondContact O-N 3.36Å
199	L	98.9	Very high	98.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-65.7	-38	174.7	-69.1	172.9	0	0	0	112.6	V138 Q195 L196 A197 W201 V202 Q203 I218 L231 L240 F241	V138-L199 HydrophobicContact CB-CD2 4.21Å; V138-L199 HydrophobicContact CG1-CD2 4.02Å; V138-L199 HydrophobicContact CG2-CD2 4.12Å; Q195-L199 WeakPolarHBondContact O-CG 3.33Å; Q195-L199 PolarHBondContact O-N 3Å; L196-L199 PolarHBondContact O-N 3.48Å; A197-L199 VanDerWaalsContact C-N 3.35Å; A197-L199 PolarHBondContact O-N 2.97Å; L199-W201 VanDerWaalsContact C-N 3.33Å; L199-V202 WeakPolarHBondContact O-CB 3.49Å; L199-V202 PolarHBondContact O-N 2.8Å; L199-Q203 WeakPolarHBondContact O-CG 3.23Å; L199-Q203 PolarHBondContact O-N 3.33Å; L199-I218 HydrophobicContact CD1-CG2 4.19Å; L199-I218 HydrophobicContact CD2-CG2 3.63Å; L199-L231 HydrophobicContact CD1-CD1 4.12Å; L199-L240 HydrophobicContact CB-CB 4.11Å; L199-L240 HydrophobicContact CB-CD1 4.05Å; L199-F241 HydrophobicContact CD1-CD1 4.26Å
200	R	98.8	Very high	98.3	Very high	113 Å²	113	26.6 Å²	26.6	43%	0.426	14%	0.138	S	C	.	.	H	α-helix	trans	-62.9	-42.2	171	-70.2	175.2	-170.6	-80.2	-6.3	111.1	L196 A197 V202 Q203 E204 L236 L240	L196-R200 WeakPolarHBondContact O-CG 3.39Å; L196-R200 PolarHBondContact O-N 3.49Å; A197-R200 PolarHBondContact O-N 3.45Å; R200-V202 VanDerWaalsContact C-N 3.3Å; R200-V202 PolarHBondContact O-N 3.25Å; R200-Q203 PolarHBondContact O-N 3.09Å; R200-E204 WeakPolarHBondContact O-CG 3.38Å; R200-E204 PolarHBondContact O-N 2.82Å; R200-L236 PolarHBondContact NH2-O 3.27Å; R200-L240 HydrophobicContact CG-CD1 4.05Å; R200-L240 HydrophobicContact CG-CD2 4.05Å
201	W	98.8	Very high	98.3	Very high	13 Å²	13	25.7 Å²	25.7	5%	0.049	13%	0.134	C	C	.	.	H	α-helix	trans	-58.7	-43.2	174	-178.2	99.5	0	0	0	111.6	L31 I56 F58 L120 V122 A197 A198 L199 E204 N205 I206 F209	L31-W201 HydrophobicContact CD1-CZ2 3.99Å; L31-W201 HydrophobicContact CD2-CZ2 4.18Å; I56-W201 HydrophobicContact CD1-CH2 4.19Å; I56-W201 HydrophobicContact CD1-CZ2 4.43Å; I56-W201 HydrophobicContact CG2-CH2 4.34Å; I56-W201 HydrophobicContact CG2-CZ2 3.58Å; F58-W201 HydrophobicContact CB-CB 3.91Å; F58-W201 HydrophobicContact CB-CG 3.85Å; L120-W201 HydrophobicContact CD1-CD2 4.47Å; L120-W201 HydrophobicContact CD1-CE3 3.95Å; L120-W201 HydrophobicContact CD1-CH2 3.76Å; L120-W201 HydrophobicContact CD1-CZ2 4.3Å; L120-W201 HydrophobicContact CD1-CZ3 3.56Å; L120-W201 HydrophobicContact CD2-CD2 3.82Å; L120-W201 HydrophobicContact CD2-CE3 3.46Å; L120-W201 VanDerWaalsContact CD2-CE3 3.46Å; L120-W201 HydrophobicContact CD2-CG 4.28Å; L120-W201 HydrophobicContact CD2-CZ3 3.97Å; L120-W201 HydrophobicContact CG-CE3 4.33Å; L120-W201 HydrophobicContact CG-CZ3 4.43Å; V122-W201 HydrophobicContact CG2-CH2 4.01Å; V122-W201 HydrophobicContact CG2-CZ3 4.1Å; A197-W201 PolarHBondContact O-N 2.98Å; A198-W201 WeakPolarHBondContact O-CB 3.27Å; A198-W201 PolarHBondContact O-N 3.38Å; L199-W201 VanDerWaalsContact C-N 3.33Å; W201-E204 PolarHBondContact O-N 3.32Å; W201-N205 HydrophobicContact CD2-CB 4.16Å; W201-N205 HydrophobicContact CE3-CB 4.41Å; W201-N205 HydrophobicContact CH2-CB 4.06Å; W201-N205 HydrophobicContact CZ2-CB 3.77Å; W201-N205 HydrophobicContact CZ3-CB 4.38Å; W201-N205 WeakPolarHBondContact O-CB 3.39Å; W201-N205 PolarHBondContact O-N 3.07Å; W201-N205 PolarHBondContact O-ND2 3.03Å; W201-I206 HydrophobicContact CZ3-CD1 4.45Å; W201-F209 HydrophobicContact CH2-CD2 4.28Å; W201-F209 AromaticContact CH2-CE2 3.47Å; W201-F209 HydrophobicContact CH2-CE2 3.47Å; W201-F209 VanDerWaalsContact CH2-CE2 3.47Å; W201-F209 AromaticContact CH2-CZ 3.97Å; W201-F209 HydrophobicContact CH2-CZ 3.97Å; W201-F209 HydrophobicContact CZ2-CE2 4.01Å; W201-F209 HydrophobicContact CZ2-CZ 4.37Å; W201-F209 HydrophobicContact CZ3-CE2 4.49Å
202	V	98.8	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.1	-50.8	175.7	168.5	0	0	0	0	110.3	V136 V138 V167 A198 L199 R200 E204 N205 I206 V216	V136-V202 HydrophobicContact CG1-CG1 4.22Å; V138-V202 HydrophobicContact CG2-CG1 4.3Å; V138-V202 HydrophobicContact CG2-CG2 4.08Å; V167-V202 HydrophobicContact CG1-CG2 4.1Å; V167-V202 HydrophobicContact CG2-CG2 4.34Å; A198-V202 WeakPolarHBondContact O-CG2 3.17Å; A198-V202 PolarHBondContact O-N 3.36Å; L199-V202 WeakPolarHBondContact O-CB 3.49Å; L199-V202 PolarHBondContact O-N 2.8Å; R200-V202 VanDerWaalsContact C-N 3.3Å; R200-V202 PolarHBondContact O-N 3.25Å; V202-E204 PolarHBondContact O-N 2.61Å; V202-N205 PolarHBondContact O-N 3.25Å; V202-I206 HydrophobicContact CG1-CB 3.93Å; V202-I206 HydrophobicContact CG1-CG1 4.23Å; V202-I206 HydrophobicContact CG1-CG2 4Å; V202-I206 WeakPolarHBondContact O-CB 3.18Å; V202-I206 WeakPolarHBondContact O-CG2 3.49Å; V202-I206 PolarHBondContact O-N 3.42Å; V202-V216 HydrophobicContact CG1-CG1 4.48Å; V202-V216 HydrophobicContact CG1-CG2 4.04Å
203	Q	98.8	Very high	98.3	Very high	43 Å²	43	28.2 Å²	28.2	20%	0.201	15%	0.149	C	C	.	.	H	α-helix	trans	-55.6	-35.4	177.8	-73.3	-62.4	-37.6	0	0	112.9	L199 R200 P213 L240	L199-Q203 WeakPolarHBondContact O-CG 3.23Å; L199-Q203 PolarHBondContact O-N 3.33Å; R200-Q203 PolarHBondContact O-N 3.09Å; Q203-P213 PolarHBondContact NE2-O 2.87Å; Q203-P213 PolarHBondContact OE1-O 2.86Å; Q203-L240 HydrophobicContact CG-CD2 3.8Å; Q203-L240 PolarHBondContact NE2-O 2.84Å
204	E	97.8	Very high	98.3	Very high	109 Å²	109	33 Å²	33	51%	0.509	17%	0.17	S	C	.	.	H	α-helix	trans	-87	-23.9	-176.1	-71.6	-175.7	-150	0	0	115.2	K32 R200 W201 V202	K32-E204 IonicContact NZ-OE2 3.42Å; K32-E204 PolarHBondContact NZ-OE2 3.17Å; R200-E204 WeakPolarHBondContact O-CG 3.38Å; R200-E204 PolarHBondContact O-N 2.82Å; W201-E204 PolarHBondContact O-N 3.32Å; V202-E204 PolarHBondContact O-N 2.61Å
205	N	98.1	Very high	98.3	Very high	11 Å²	11	33.7 Å²	33.7	6%	0.059	18%	0.175	C	C	.	.	H	α-helix	trans	-128.8	-19.1	-166.4	-61.9	-84.6	0	0	0	114.6	L31 W201 V202 E207 A208	L31-N205 HydrophobicContact CD2-CB 4.08Å; W201-N205 HydrophobicContact CD2-CB 4.16Å; W201-N205 HydrophobicContact CE3-CB 4.41Å; W201-N205 HydrophobicContact CH2-CB 4.06Å; W201-N205 HydrophobicContact CZ2-CB 3.77Å; W201-N205 HydrophobicContact CZ3-CB 4.38Å; W201-N205 WeakPolarHBondContact O-CB 3.39Å; W201-N205 PolarHBondContact O-N 3.07Å; W201-N205 PolarHBondContact O-ND2 3.03Å; V202-N205 PolarHBondContact O-N 3.25Å; N205-E207 PolarHBondContact O-N 2.81Å; N205-E207 VanDerWaalsContact O-N 3.11Å; N205-A208 VanDerWaalsContact O-CB 3.31Å; N205-A208 WeakPolarHBondContact O-CB 3.27Å; N205-A208 PolarHBondContact O-N 3.49Å
206	I	98.4	Very high	98.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-65.9	-23.4	-168	-155.7	62.3	0	0	0	113.6	V122 V136 V165 V167 W201 V202 A208 F209 G210 G211 P213	V122-I206 HydrophobicContact CG1-CD1 4.16Å; V122-I206 HydrophobicContact CG2-CD1 4.46Å; V136-I206 HydrophobicContact CG1-CD1 4.46Å; V136-I206 HydrophobicContact CG1-CG1 4Å; V136-I206 HydrophobicContact CG2-CG1 3.72Å; V136-I206 HydrophobicContact CG2-CG2 4.06Å; V165-I206 HydrophobicContact CG1-CD1 3.81Å; V165-I206 HydrophobicContact CG1-CG1 4.13Å; V167-I206 HydrophobicContact CG2-CD1 3.58Å; V167-I206 HydrophobicContact CG2-CG1 4.5Å; W201-I206 HydrophobicContact CZ3-CD1 4.45Å; V202-I206 HydrophobicContact CG1-CB 3.93Å; V202-I206 HydrophobicContact CG1-CG1 4.23Å; V202-I206 HydrophobicContact CG1-CG2 4Å; V202-I206 WeakPolarHBondContact O-CB 3.18Å; V202-I206 WeakPolarHBondContact O-CG2 3.49Å; V202-I206 PolarHBondContact O-N 3.42Å; I206-A208 PolarHBondContact O-N 3.32Å; I206-F209 HydrophobicContact CD1-CB 4.4Å; I206-F209 HydrophobicContact CD1-CD2 4.3Å; I206-F209 CarbonylContact O-C 3.55Å; I206-F209 WeakPolarHBondContact O-CA 3.3Å; I206-F209 PolarHBondContact O-N 3.29Å; I206-G210 PolarHBondContact O-N 3.5Å; I206-G211 PolarHBondContact O-N 3.28Å; I206-P213 HydrophobicContact CG2-CB 4.22Å
207	E	97.1	Very high	98.3	Very high	109 Å²	109	33.3 Å²	33.3	51%	0.509	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-60.1	-32.9	173.1	-176.6	165.6	174.1	0	0	112.3	K133 N205 F209 G210 G211	K133-E207 VanDerWaalsContact CE-CD 3.5Å; K133-E207 WeakPolarHBondContact CE-OE1 3.33Å; K133-E207 IonicContact NZ-OE1 3.49Å; K133-E207 PolarHBondContact NZ-OE1 2.96Å; K133-E207 IonicContact NZ-OE2 2.71Å; K133-E207 PolarHBondContact NZ-OE2 3.29Å; N205-E207 PolarHBondContact O-N 2.81Å; N205-E207 VanDerWaalsContact O-N 3.11Å; E207-F209 PolarHBondContact O-N 2.89Å; E207-F209 VanDerWaalsContact O-N 3.16Å; E207-G210 PolarHBondContact O-N 3.33Å; E207-G211 VanDerWaalsContact CA-O 3.31Å; E207-G211 WeakPolarHBondContact CA-O 3.31Å
208	A	96.1	Very high	98.3	Very high	52 Å²	52	32.4 Å²	32.4	43%	0.43	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-66.2	-16.5	175.7	0	0	0	0	0	112.9	V29 L31 N205 I206	V29-A208 HydrophobicContact CG1-CB 3.62Å; L31-A208 HydrophobicContact CD2-CB 4.5Å; N205-A208 VanDerWaalsContact O-CB 3.31Å; N205-A208 WeakPolarHBondContact O-CB 3.27Å; N205-A208 PolarHBondContact O-N 3.49Å; I206-A208 PolarHBondContact O-N 3.32Å
209	F	96.9	Very high	98.3	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.035	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-103.7	8.3	174.9	-57.6	-92.8	0	0	0	112.6	V29 L31 I36 Y53 I56 V122 T124 W201 I206 E207	V29-F209 HydrophobicContact CB-CD1 4.49Å; V29-F209 HydrophobicContact CB-CE1 4.01Å; V29-F209 HydrophobicContact CB-CZ 4.26Å; V29-F209 HydrophobicContact CG1-CD1 4.24Å; V29-F209 HydrophobicContact CG1-CD2 4.33Å; V29-F209 HydrophobicContact CG1-CE1 3.89Å; V29-F209 HydrophobicContact CG1-CE2 4Å; V29-F209 HydrophobicContact CG1-CG 4.46Å; V29-F209 HydrophobicContact CG1-CZ 3.78Å; V29-F209 HydrophobicContact CG2-CD1 4Å; V29-F209 HydrophobicContact CG2-CE1 3.93Å; L31-F209 HydrophobicContact CD1-CZ 4.46Å; L31-F209 HydrophobicContact CD2-CE2 3.43Å; L31-F209 VanDerWaalsContact CD2-CE2 3.43Å; L31-F209 HydrophobicContact CD2-CZ 3.68Å; I36-F209 HydrophobicContact CG2-CZ 4.44Å; Y53-F209 AromaticContact CD1-CE1 3.99Å; Y53-F209 HydrophobicContact CD1-CE1 3.99Å; Y53-F209 AromaticContact CD2-CD1 3.75Å; Y53-F209 HydrophobicContact CD2-CD1 3.75Å; Y53-F209 AromaticContact CD2-CE1 3.74Å; Y53-F209 HydrophobicContact CD2-CE1 3.74Å; Y53-F209 HydrophobicContact CE1-CE1 4.3Å; Y53-F209 AromaticContact CE2-CD1 3.85Å; Y53-F209 HydrophobicContact CE2-CD1 3.85Å; Y53-F209 HydrophobicContact CE2-CE1 4.1Å; Y53-F209 HydrophobicContact CG-CD1 4.22Å; Y53-F209 AromaticContact CG-CE1 3.7Å; Y53-F209 HydrophobicContact CG-CE1 3.7Å; I56-F209 HydrophobicContact CD1-CE1 4.25Å; I56-F209 HydrophobicContact CD1-CZ 3.9Å; V122-F209 HydrophobicContact CB-CD1 4.23Å; V122-F209 HydrophobicContact CB-CE1 4.32Å; V122-F209 HydrophobicContact CG1-CB 3.97Å; V122-F209 HydrophobicContact CG1-CD1 3.72Å; V122-F209 HydrophobicContact CG1-CD2 4.47Å; V122-F209 HydrophobicContact CG1-CE1 4.3Å; V122-F209 HydrophobicContact CG1-CG 3.81Å; T124-F209 VanDerWaalsContact CB-O 3.31Å; T124-F209 WeakPolarHBondContact CB-O 3.49Å; T124-F209 PolarHBondContact OG1-O 3.47Å; W201-F209 HydrophobicContact CH2-CD2 4.28Å; W201-F209 AromaticContact CH2-CE2 3.47Å; W201-F209 HydrophobicContact CH2-CE2 3.47Å; W201-F209 VanDerWaalsContact CH2-CE2 3.47Å; W201-F209 AromaticContact CH2-CZ 3.97Å; W201-F209 HydrophobicContact CH2-CZ 3.97Å; W201-F209 HydrophobicContact CZ2-CE2 4.01Å; W201-F209 HydrophobicContact CZ2-CZ 4.37Å; W201-F209 HydrophobicContact CZ3-CE2 4.49Å; I206-F209 HydrophobicContact CD1-CB 4.4Å; I206-F209 HydrophobicContact CD1-CD2 4.3Å; I206-F209 CarbonylContact O-C 3.55Å; I206-F209 WeakPolarHBondContact O-CA 3.3Å; I206-F209 PolarHBondContact O-N 3.29Å; E207-F209 PolarHBondContact O-N 2.89Å; E207-F209 VanDerWaalsContact O-N 3.16Å
210	G	96.9	Very high	98.3	Very high	23 Å²	23	32.3 Å²	32.3	24%	0.237	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	9.5	-177.3	0	0	0	0	0	114.8	L134 I206 E207	L134-G210 PolarHBondContact N-O 3.43Å; I206-G210 PolarHBondContact O-N 3.5Å; E207-G210 PolarHBondContact O-N 3.33Å
211	G	98.4	Very high	98.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	154	175.9	0	0	0	0	0	113.2	L134 I206 E207 P213	L134-G211 CarbonylContact O-C 3.48Å; L134-G211 WeakPolarHBondContact O-CA 3.46Å; I206-G211 PolarHBondContact O-N 3.28Å; E207-G211 VanDerWaalsContact CA-O 3.31Å; E207-G211 WeakPolarHBondContact CA-O 3.31Å; G211-P213 WeakPolarHBondContact O-CD 3.2Å
212	D	98.6	Very high	98.2	Very high	41 Å²	41	27.4 Å²	27.4	22%	0.219	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	109.4	173.9	-170	-3	0	0	0	110.6	K133 L134 Q214 S215	K133-D212 HydrophobicContact CB-CB 3.7Å; L134-D212 WeakPolarHBondContact O-CB 3.16Å; L134-D212 PolarHBondContact O-N 2.95Å; D212-Q214 PolarHBondContact O-N 2.82Å; D212-Q214 VanDerWaalsContact O-N 3.14Å; D212-Q214 WeakPolarHBondContact OD1-CB 3.18Å; D212-Q214 PolarHBondContact OD1-N 3.22Å; D212-S215 CarbonylContact O-C 3.55Å; D212-S215 PolarHBondContact O-N 3.37Å
213	P	98.5	Very high	98.2	Very high	14 Å²	14	27.4 Å²	27.4	9%	0.091	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	-18.2	174.9	26.8	-34	0	0	0	112.7	Q203 I206 G211 H242	Q203-P213 PolarHBondContact NE2-O 2.87Å; Q203-P213 PolarHBondContact OE1-O 2.86Å; I206-P213 HydrophobicContact CG2-CB 4.22Å; G211-P213 WeakPolarHBondContact O-CD 3.2Å; P213-H242 PolarHBondContact O-CE1 2.88Å
214	Q	98.5	Very high	98.2	Very high	128 Å²	128	25.4 Å²	25.4	60%	0.598	14%	0.14	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	0.5	176.6	-55.9	-60	-73.2	0	0	113.7	D212 H242	D212-Q214 PolarHBondContact O-N 2.82Å; D212-Q214 VanDerWaalsContact O-N 3.14Å; D212-Q214 WeakPolarHBondContact OD1-CB 3.18Å; D212-Q214 PolarHBondContact OD1-N 3.22Å; Q214-H242 PolarHBondContact O-CD2 3.16Å; Q214-H242 VanDerWaalsContact O-CD2 3.22Å; Q214-H242 PolarHBondContact O-NE2 3.37Å
215	S	98.8	Very high	98.2	Very high	15 Å²	15	20.2 Å²	20.2	11%	0.105	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	62.2	175.6	-174.7	0	0	0	0	111.5	V136 D212 K243 A494	V136-S215 PolarHBondContact N-O 3.11Å; D212-S215 CarbonylContact O-C 3.55Å; D212-S215 PolarHBondContact O-N 3.37Å; S215-K243 PolarHBondContact OG-NZ 2.65Å; S215-K243 VanDerWaalsContact OG-NZ 3.14Å; S215-A494 PolarHBondContact OG-O 3.14Å
216	V	98.9	Very high	98.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.2	177.3	178.4	0	0	0	0	110.8	V136 V138 V202 F241 H242 K243	V136-V216 HydrophobicContact CB-CG2 4.16Å; V136-V216 HydrophobicContact CG2-CG2 4.5Å; V136-V216 CarbonylContact O-C 3.55Å; V136-V216 WeakPolarHBondContact O-CA 3.22Å; V138-V216 HydrophobicContact CG2-CG1 3.81Å; V202-V216 HydrophobicContact CG1-CG1 4.48Å; V202-V216 HydrophobicContact CG1-CG2 4.04Å; V216-F241 HydrophobicContact CB-CB 4.37Å; V216-F241 HydrophobicContact CG1-CB 4.04Å; V216-H242 PolarHBondContact N-ND1 3.17Å; V216-H242 PolarHBondContact O-N 3.07Å; V216-K243 PolarHBondContact O-N 3.24Å
217	T	98.9	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.4	172.6	-55.5	0	0	0	0	108.6	V136 M137 V138 K243 I245 F493 A494	V136-T217 PolarHBondContact O-N 2.56Å; M137-T217 CarbonylContact C-O 3.6Å; M137-T217 WeakPolarHBondContact CA-O 3.31Å; V138-T217 PolarHBondContact N-O 2.86Å; T217-K243 WeakPolarHBondContact CA-O 3.23Å; T217-K243 HydrophobicContact CG2-CB 3.94Å; T217-I245 HydrophobicContact CG2-CD1 4.09Å; T217-I245 HydrophobicContact CG2-CG1 3.94Å; T217-F493 HydrophobicContact CG2-CD1 4.33Å; T217-F493 HydrophobicContact CG2-CE1 4.28Å; T217-A494 WeakPolarHBondContact OG1-CA 3.17Å
218	I	98.9	Very high	98.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	137.7	167.3	58.9	173.4	0	0	0	109.1	V138 L199 A228 L231 F241 K243 A244 I245	V138-I218 HydrophobicContact CB-CG2 4.48Å; L199-I218 HydrophobicContact CD1-CG2 4.19Å; L199-I218 HydrophobicContact CD2-CG2 3.63Å; I218-A228 HydrophobicContact CD1-CB 3.99Å; I218-A228 WeakPolarHBondContact CD1-O 3.35Å; I218-A228 HydrophobicContact CG1-CB 4.28Å; I218-L231 HydrophobicContact CD1-CB 4.05Å; I218-L231 HydrophobicContact CD1-CD1 4.3Å; I218-F241 HydrophobicContact CD1-CD1 3.84Å; I218-F241 HydrophobicContact CD1-CD2 3.9Å; I218-F241 HydrophobicContact CD1-CE1 3.61Å; I218-F241 HydrophobicContact CD1-CE2 3.71Å; I218-F241 HydrophobicContact CD1-CG 3.97Å; I218-F241 HydrophobicContact CD1-CZ 3.56Å; I218-F241 HydrophobicContact CG1-CD1 4.34Å; I218-F241 HydrophobicContact CG1-CD2 3.89Å; I218-F241 HydrophobicContact CG1-CE2 4.12Å; I218-F241 HydrophobicContact CG1-CG 4.01Å; I218-F241 HydrophobicContact CG1-CZ 4.43Å; I218-F241 HydrophobicContact CG2-CB 3.82Å; I218-F241 HydrophobicContact CG2-CD1 4.01Å; I218-F241 HydrophobicContact CG2-CG 3.92Å; I218-K243 PolarHBondContact N-O 3.31Å; I218-A244 HydrophobicContact CD1-CB 4.21Å; I218-A244 HydrophobicContact CG1-CB 3.73Å; I218-A244 CarbonylContact O-C 3.49Å; I218-A244 VanDerWaalsContact O-CA 3.24Å; I218-A244 WeakPolarHBondContact O-CA 3.44Å; I218-I245 PolarHBondContact O-N 2.72Å
219	A	98.9	Very high	98.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.6	178.3	0	0	0	0	0	109.1	M137 V138 W139 I140 I245	M137-A219 HydrophobicContact CG-CB 4.13Å; M137-A219 HydrophobicContact SD-CB 4.2Å; V138-A219 PolarHBondContact O-N 3.43Å; W139-A219 CarbonylContact C-O 3.59Å; W139-A219 WeakPolarHBondContact CA-O 3.5Å; W139-A219 HydrophobicContact CE3-CB 3.84Å; W139-A219 HydrophobicContact CZ3-CB 4.08Å; I140-A219 PolarHBondContact N-O 2.91Å; A219-I245 WeakPolarHBondContact CA-O 3.36Å; A219-I245 HydrophobicContact CB-CB 3.87Å; A219-I245 HydrophobicContact CB-CD1 4.25Å; A219-I245 HydrophobicContact CB-CG1 4.3Å
220	G	98.8	Very high	98.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	169.6	172.7	0	0	0	0	0	111.3	I140 A225 I245 Q247	I140-G220 WeakPolarHBondContact O-CA 3.48Å; G220-A225 VanDerWaalsContact O-CB 3.3Å; G220-A225 WeakPolarHBondContact O-CB 3.39Å; G220-I245 PolarHBondContact N-O 2.83Å; G220-Q247 WeakPolarHBondContact O-CB 3.2Å; G220-Q247 PolarHBondContact O-N 3.23Å
221	E	98.7	Very high	98.6	Very high	10 Å²	10	10.8 Å²	10.8	5%	0.047	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.6	174.9	180	-87.1	169.8	0	0	111.1	W139 G142 A223 G224 A225 Q247 H452 A453 V456	W139-E221 HydrophobicContact CH2-CB 3.64Å; W139-E221 HydrophobicContact CZ2-CB 3.82Å; G142-E221 WeakPolarHBondContact CA-O 3.49Å; G142-E221 PolarHBondContact N-O 2.91Å; E221-A223 PolarHBondContact O-N 3.03Å; E221-G224 VanDerWaalsContact O-CA 3.31Å; E221-G224 WeakPolarHBondContact O-CA 3.31Å; E221-G224 PolarHBondContact O-N 3.37Å; E221-A225 PolarHBondContact O-N 3.28Å; E221-Q247 CarbonylContact C-O 3.51Å; E221-Q247 VanDerWaalsContact CA-O 3.23Å; E221-Q247 WeakPolarHBondContact CA-O 3.31Å; E221-Q247 HydrophobicContact CB-CB 4.07Å; E221-Q247 HydrophobicContact CG-CB 4.23Å; E221-H452 IonicContact OE1-CD2 2.69Å; E221-H452 PolarHBondContact OE1-CD2 3.2Å; E221-H452 IonicContact OE1-CE1 2.65Å; E221-H452 PolarHBondContact OE1-CE1 2.99Å; E221-H452 IonicContact OE1-CG 2.76Å; E221-H452 IonicContact OE1-ND1 3.65Å; E221-H452 IonicContact OE1-NE2 3.63Å; E221-H452 PolarHBondContact OE1-NE2 3.13Å; E221-A453 HydrophobicContact CG-CB 4.21Å; E221-A453 WeakPolarHBondContact OE1-CB 3.23Å; E221-V456 HydrophobicContact CB-CG2 3.53Å; E221-V456 HydrophobicContact CG-CG2 3.42Å; E221-V456 VanDerWaalsContact CG-CG2 3.42Å
222	S	97.9	Very high	98.7	Very high	13 Å²	13	10.8 Å²	10.8	9%	0.091	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	-123.1	178.1	-169.6	0	0	0	0	111.2	G224 A225 I226 Q247 S248 H452	S222-G224 PolarHBondContact O-N 3.35Å; S222-G224 VanDerWaalsContact O-N 3.16Å; S222-A225 WeakPolarHBondContact O-CA 3.37Å; S222-A225 WeakPolarHBondContact O-CB 3.44Å; S222-A225 PolarHBondContact O-N 2.87Å; S222-I226 WeakPolarHBondContact O-CG1 3.45Å; S222-I226 PolarHBondContact O-N 2.98Å; S222-Q247 PolarHBondContact N-O 2.99Å; S222-S248 WeakPolarHBondContact CA-O 3.44Å; S222-H452 WeakPolarHBondContact CB-NE2 3.3Å; S222-H452 PolarHBondContact OG-NE2 3.31Å
223	A	97.8	Very high	98.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-55.3	-29.8	173.8	0	0	0	0	0	114.4	G144 L145 E221 S227	G144-A223 VanDerWaalsContact N-CB 3.31Å; L145-A223 HydrophobicContact CD2-CB 3.84Å; L145-A223 HydrophobicContact CG-CB 3.97Å; E221-A223 PolarHBondContact O-N 3.03Å; A223-S227 WeakPolarHBondContact O-CB 3.28Å; A223-S227 PolarHBondContact O-N 3.38Å; A223-S227 PolarHBondContact O-OG 3.35Å
224	G	98.7	Very high	98.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-71.1	-37	173	0	0	0	0	0	112.5	I140 H141 E221 S222 S227 A228	I140-G224 WeakPolarHBondContact O-CA 3.33Å; H141-G224 VanDerWaalsContact O-CA 3.27Å; H141-G224 WeakPolarHBondContact O-CA 3.32Å; H141-G224 PolarHBondContact O-N 2.97Å; E221-G224 VanDerWaalsContact O-CA 3.31Å; E221-G224 WeakPolarHBondContact O-CA 3.31Å; E221-G224 PolarHBondContact O-N 3.37Å; S222-G224 PolarHBondContact O-N 3.35Å; S222-G224 VanDerWaalsContact O-N 3.16Å; G224-S227 WeakPolarHBondContact O-CB 3.25Å; G224-S227 PolarHBondContact O-N 3.35Å; G224-A228 WeakPolarHBondContact O-CB 3.17Å; G224-A228 PolarHBondContact O-N 2.83Å
225	A	98.8	Very high	98.6	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-68	-40.7	171.8	0	0	0	0	0	111.6	G220 E221 S222 S227 A228 S229 F246 Q247 G249	G220-A225 VanDerWaalsContact O-CB 3.3Å; G220-A225 WeakPolarHBondContact O-CB 3.39Å; E221-A225 PolarHBondContact O-N 3.28Å; S222-A225 WeakPolarHBondContact O-CA 3.37Å; S222-A225 WeakPolarHBondContact O-CB 3.44Å; S222-A225 PolarHBondContact O-N 2.87Å; A225-S227 VanDerWaalsContact C-N 3.33Å; A225-S227 PolarHBondContact O-N 2.93Å; A225-A228 PolarHBondContact O-N 3.02Å; A225-S229 WeakPolarHBondContact O-CB 3.35Å; A225-S229 PolarHBondContact O-N 2.77Å; A225-F246 HydrophobicContact CB-CB 4.27Å; A225-Q247 VanDerWaalsContact CB-O 3.24Å; A225-Q247 WeakPolarHBondContact CB-O 3.27Å; A225-G249 CarbonylContact C-O 3.55Å; A225-G249 WeakPolarHBondContact CB-O 3.39Å
226	I	98.6	Very high	98.6	Very high	3 Å²	3	8.4 Å²	8.4	2%	0.015	5%	0.049	C	C	.	.	H	α-helix	trans	-58.6	-47.1	171.5	-64.2	172.8	0	0	0	109.7	S222 S229 I230 L253 Y256	S222-I226 WeakPolarHBondContact O-CG1 3.45Å; S222-I226 PolarHBondContact O-N 2.98Å; I226-S229 PolarHBondContact O-N 2.96Å; I226-I230 HydrophobicContact CG2-CD1 3.77Å; I226-I230 HydrophobicContact CG2-CG1 4.42Å; I226-I230 WeakPolarHBondContact O-CB 3.16Å; I226-I230 VanDerWaalsContact O-CG1 3.28Å; I226-I230 WeakPolarHBondContact O-CG1 3.34Å; I226-I230 PolarHBondContact O-N 3.21Å; I226-L253 HydrophobicContact CD1-CB 4.09Å; I226-L253 HydrophobicContact CD1-CD1 4.39Å; I226-L253 HydrophobicContact CD1-CD2 4.34Å; I226-L253 HydrophobicContact CG1-CD1 4.37Å; I226-Y256 HydrophobicContact CD1-CD1 4.11Å; I226-Y256 HydrophobicContact CD1-CD2 3.59Å; I226-Y256 HydrophobicContact CD1-CE1 4.06Å; I226-Y256 HydrophobicContact CD1-CE2 3.51Å; I226-Y256 HydrophobicContact CD1-CG 3.88Å; I226-Y256 HydrophobicContact CG2-CD1 4.01Å; I226-Y256 HydrophobicContact CG2-CG 3.89Å
227	S	98.8	Very high	98.6	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.007	5%	0.049	C	C	.	.	H	α-helix	trans	-57.3	-49	173.2	-89.9	0	0	0	0	112.4	L192 Q195 A223 G224 A225 S229 I230 L231	L192-S227 WeakPolarHBondContact CD2-OG 3.46Å; Q195-S227 PolarHBondContact NE2-OG 2.78Å; Q195-S227 PolarHBondContact OE1-OG 3.09Å; A223-S227 WeakPolarHBondContact O-CB 3.28Å; A223-S227 PolarHBondContact O-N 3.38Å; A223-S227 PolarHBondContact O-OG 3.35Å; G224-S227 WeakPolarHBondContact O-CB 3.25Å; G224-S227 PolarHBondContact O-N 3.35Å; A225-S227 VanDerWaalsContact C-N 3.33Å; A225-S227 PolarHBondContact O-N 2.93Å; S227-S229 VanDerWaalsContact C-N 3.3Å; S227-S229 PolarHBondContact O-N 3.3Å; S227-I230 PolarHBondContact O-N 3.15Å; S227-L231 WeakPolarHBondContact O-CB 3.28Å; S227-L231 VanDerWaalsContact O-CG 3.29Å; S227-L231 WeakPolarHBondContact O-CG 3.29Å; S227-L231 PolarHBondContact O-N 3.04Å
228	A	98.8	Very high	98.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.5	-41.5	177	0	0	0	0	0	111.8	I140 I218 G224 A225 L231 T232 F246	I140-A228 HydrophobicContact CD1-CB 4.39Å; I218-A228 HydrophobicContact CD1-CB 3.99Å; I218-A228 WeakPolarHBondContact CD1-O 3.35Å; I218-A228 HydrophobicContact CG1-CB 4.28Å; G224-A228 WeakPolarHBondContact O-CB 3.17Å; G224-A228 PolarHBondContact O-N 2.83Å; A225-A228 PolarHBondContact O-N 3.02Å; A228-L231 PolarHBondContact O-N 3.18Å; A228-T232 WeakPolarHBondContact O-CG2 3.47Å; A228-T232 PolarHBondContact O-N 3.36Å; A228-F246 HydrophobicContact CB-CD1 3.88Å; A228-F246 HydrophobicContact CB-CE1 3.89Å
229	S	98.8	Very high	98.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.3	-45.7	175.5	-173.1	0	0	0	0	111.5	A225 I226 S227 L231 T232 F246 A251	A225-S229 WeakPolarHBondContact O-CB 3.35Å; A225-S229 PolarHBondContact O-N 2.77Å; I226-S229 PolarHBondContact O-N 2.96Å; S227-S229 VanDerWaalsContact C-N 3.3Å; S227-S229 PolarHBondContact O-N 3.3Å; S229-L231 VanDerWaalsContact C-N 3.31Å; S229-L231 PolarHBondContact O-N 3.34Å; S229-T232 WeakPolarHBondContact O-CB 3.5Å; S229-T232 PolarHBondContact O-N 2.86Å; S229-T232 PolarHBondContact O-OG1 3.46Å; S229-F246 VanDerWaalsContact CA-CE1 3.49Å; S229-A251 WeakPolarHBondContact OG-CB 3.26Å; S229-A251 PolarHBondContact OG-N 3.1Å
230	I	98.7	Very high	98.5	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-38.9	175.4	-70.4	168	0	0	0	111.5	L192 I226 S227 T232 L233 S234 A251 T257 A307 F313 L314	L192-I230 HydrophobicContact CD1-CG2 4.18Å; I226-I230 HydrophobicContact CG2-CD1 3.77Å; I226-I230 HydrophobicContact CG2-CG1 4.42Å; I226-I230 WeakPolarHBondContact O-CB 3.16Å; I226-I230 VanDerWaalsContact O-CG1 3.28Å; I226-I230 WeakPolarHBondContact O-CG1 3.34Å; I226-I230 PolarHBondContact O-N 3.21Å; S227-I230 PolarHBondContact O-N 3.15Å; I230-T232 PolarHBondContact O-N 2.95Å; I230-L233 WeakPolarHBondContact O-CA 3.33Å; I230-L233 WeakPolarHBondContact O-CB 3.45Å; I230-L233 PolarHBondContact O-N 2.92Å; I230-S234 PolarHBondContact O-N 3.36Å; I230-S234 VanDerWaalsContact O-N 3.17Å; I230-A251 HydrophobicContact CG1-CB 3.68Å; I230-T257 HydrophobicContact CD1-CG2 4.03Å; I230-T257 HydrophobicContact CG1-CG2 4.13Å; I230-A307 HydrophobicContact CD1-CB 4.05Å; I230-F313 HydrophobicContact CG2-CE1 3.72Å; I230-F313 HydrophobicContact CG2-CZ 4.15Å; I230-L314 HydrophobicContact CG2-CD1 4.46Å
231	L	98.8	Very high	98.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.8	-27.5	176.5	-74	166.9	0	0	0	112.2	I140 Q195 L199 I218 S227 A228 S229 L233 S234 S237 F241 F313	I140-L231 HydrophobicContact CD1-CD1 3.66Å; Q195-L231 HydrophobicContact CB-CD1 4.32Å; L199-L231 HydrophobicContact CD1-CD1 4.12Å; I218-L231 HydrophobicContact CD1-CB 4.05Å; I218-L231 HydrophobicContact CD1-CD1 4.3Å; S227-L231 WeakPolarHBondContact O-CB 3.28Å; S227-L231 VanDerWaalsContact O-CG 3.29Å; S227-L231 WeakPolarHBondContact O-CG 3.29Å; S227-L231 PolarHBondContact O-N 3.04Å; A228-L231 PolarHBondContact O-N 3.18Å; S229-L231 VanDerWaalsContact C-N 3.31Å; S229-L231 PolarHBondContact O-N 3.34Å; L231-L233 PolarHBondContact O-N 3.17Å; L231-S234 PolarHBondContact O-N 3.15Å; L231-S237 WeakPolarHBondContact CD2-OG 3.11Å; L231-S237 WeakPolarHBondContact O-CB 3.49Å; L231-S237 PolarHBondContact O-OG 3.11Å; L231-F241 HydrophobicContact CB-CE1 4.13Å; L231-F241 HydrophobicContact CB-CZ 4.46Å; L231-F313 HydrophobicContact CD2-CE2 4.05Å; L231-F313 HydrophobicContact CD2-CZ 3.99Å
232	T	98.6	Very high	98.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-71.5	-17.2	171.3	75.8	0	0	0	0	113.8	A228 S229 I230 F241 A244 F246 L328	A228-T232 WeakPolarHBondContact O-CG2 3.47Å; A228-T232 PolarHBondContact O-N 3.36Å; S229-T232 WeakPolarHBondContact O-CB 3.5Å; S229-T232 PolarHBondContact O-N 2.86Å; S229-T232 PolarHBondContact O-OG1 3.46Å; I230-T232 PolarHBondContact O-N 2.95Å; T232-F241 HydrophobicContact CG2-CE2 4Å; T232-F241 HydrophobicContact CG2-CZ 3.93Å; T232-A244 HydrophobicContact CG2-CB 4.16Å; T232-F246 HydrophobicContact CG2-CE1 4.22Å; T232-F246 HydrophobicContact CG2-CZ 3.74Å; T232-L328 WeakPolarHBondContact O-CB 3.15Å; T232-L328 WeakPolarHBondContact O-CG 3.37Å; T232-L328 PolarHBondContact O-N 2.82Å
233	L	98.5	Very high	98.5	Very high	7 Å²	7	21.9 Å²	21.9	4%	0.037	12%	0.121	C	C	.	.	H	α-helix	trans	-96.6	-14.8	178.5	-54.3	178.9	0	0	0	112.5	I230 L231 A251 L314 A318 L321 L322 V327	I230-L233 WeakPolarHBondContact O-CA 3.33Å; I230-L233 WeakPolarHBondContact O-CB 3.45Å; I230-L233 PolarHBondContact O-N 2.92Å; L231-L233 PolarHBondContact O-N 3.17Å; L233-A251 HydrophobicContact CD1-CB 3.75Å; L233-L314 HydrophobicContact CB-CD1 4.16Å; L233-A318 HydrophobicContact CD1-CB 3.66Å; L233-L321 HydrophobicContact CB-CD1 3.92Å; L233-L321 HydrophobicContact CD2-CB 4.36Å; L233-L322 HydrophobicContact CD1-CG 4.45Å; L233-L322 HydrophobicContact CD2-CD2 3.76Å; L233-L322 HydrophobicContact CD2-CG 3.88Å; L233-V327 HydrophobicContact CD2-CB 3.88Å; L233-V327 HydrophobicContact CD2-CG2 3.82Å
234	S	98.3	Very high	98.6	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.007	12%	0.121	C	C	.	.			trans	-80.9	125.9	179.4	-175.9	0	0	0	0	111.6	I230 L231 L236 S237 F313	I230-S234 PolarHBondContact O-N 3.36Å; I230-S234 VanDerWaalsContact O-N 3.17Å; L231-S234 PolarHBondContact O-N 3.15Å; S234-L236 PolarHBondContact O-N 2.93Å; S234-L236 PolarHBondContact OG-N 3.45Å; S234-S237 PolarHBondContact O-N 3.02Å; S234-F313 WeakPolarHBondContact CA-O 3.36Å; S234-F313 WeakPolarHBondContact CB-O 3.15Å; S234-F313 WeakPolarHBondContact OG-CD2 3.22Å; S234-F313 PolarHBondContact OG-O 3.04Å
235	P	97.7	Very high	98.6	Very high	73 Å²	73	21.9 Å²	21.9	47%	0.474	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-63.8	-24.9	172.1	26.6	-34.1	0	0	0	112.3	S237 K238	P235-S237 PolarHBondContact O-N 3.37Å; P235-K238 WeakPolarHBondContact O-CB 3.24Å; P235-K238 PolarHBondContact O-N 2.64Å
236	L	98.2	Very high	98.6	Very high	67 Å²	67	21.9 Å²	21.9	35%	0.351	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-71.9	-18.5	-179.1	-57.7	-174.2	0	0	0	113.2	L196 R200 S234 K238 F313	L196-L236 HydrophobicContact CD1-CB 4.46Å; L196-L236 HydrophobicContact CD2-CB 3.78Å; L196-L236 HydrophobicContact CD2-CD1 4.3Å; R200-L236 PolarHBondContact NH2-O 3.27Å; S234-L236 PolarHBondContact O-N 2.93Å; S234-L236 PolarHBondContact OG-N 3.45Å; L236-K238 VanDerWaalsContact C-N 3.34Å; L236-F313 HydrophobicContact CD1-CB 4.16Å; L236-F313 HydrophobicContact CD1-CD2 4.35Å
237	S	98.5	Very high	98.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-83.1	-8.3	178.5	-58.7	0	0	0	0	114.1	L231 S234 P235 G239 L240	L231-S237 WeakPolarHBondContact CD2-OG 3.11Å; L231-S237 WeakPolarHBondContact O-CB 3.49Å; L231-S237 PolarHBondContact O-OG 3.11Å; S234-S237 PolarHBondContact O-N 3.02Å; P235-S237 PolarHBondContact O-N 3.37Å; S237-G239 PolarHBondContact O-N 3.39Å; S237-L240 WeakPolarHBondContact O-CB 3.16Å; S237-L240 PolarHBondContact O-N 2.98Å
238	K	97.9	Very high	98.6	Very high	166 Å²	166	21.7 Å²	21.7	72%	0.722	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	123.7	-173.8	-174.3	176.2	-179.1	176.3	0	111.5	P235 L236 L240 L328	P235-K238 WeakPolarHBondContact O-CB 3.24Å; P235-K238 PolarHBondContact O-N 2.64Å; L236-K238 VanDerWaalsContact C-N 3.34Å; K238-L240 VanDerWaalsContact C-N 3.32Å; K238-L328 HydrophobicContact CB-CD2 4.09Å; K238-L328 HydrophobicContact CG-CD2 4.2Å
239	G	97.9	Very high	98.5	Very high	48 Å²	48	21.8 Å²	21.8	50%	0.495	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	2.8	178.6	0	0	0	0	0	115	S237	S237-G239 PolarHBondContact O-N 3.39Å
240	L	98.9	Very high	98.5	Very high	16 Å²	16	21.8 Å²	21.8	8%	0.084	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-22.4	177.1	-58.8	-176.3	0	0	0	113.3	L196 L199 R200 Q203 S237 K238	L196-L240 HydrophobicContact CD1-CD1 3.37Å; L196-L240 HydrophobicContact CG-CD1 4.1Å; L199-L240 HydrophobicContact CB-CB 4.11Å; L199-L240 HydrophobicContact CB-CD1 4.05Å; R200-L240 HydrophobicContact CG-CD1 4.05Å; R200-L240 HydrophobicContact CG-CD2 4.05Å; Q203-L240 HydrophobicContact CG-CD2 3.8Å; Q203-L240 PolarHBondContact NE2-O 2.84Å; S237-L240 WeakPolarHBondContact O-CB 3.16Å; S237-L240 PolarHBondContact O-N 2.98Å; K238-L240 VanDerWaalsContact C-N 3.32Å
241	F	98.9	Very high	98.4	Very high	7 Å²	7	21.7 Å²	21.7	3%	0.031	12%	0.12	C	C	.	.			trans	-146.4	166	174.5	64.2	-92.9	0	0	0	111.3	L199 V216 I218 L231 T232 L328 V330	L199-F241 HydrophobicContact CD1-CD1 4.26Å; V216-F241 HydrophobicContact CB-CB 4.37Å; V216-F241 HydrophobicContact CG1-CB 4.04Å; I218-F241 HydrophobicContact CD1-CD1 3.84Å; I218-F241 HydrophobicContact CD1-CD2 3.9Å; I218-F241 HydrophobicContact CD1-CE1 3.61Å; I218-F241 HydrophobicContact CD1-CE2 3.71Å; I218-F241 HydrophobicContact CD1-CG 3.97Å; I218-F241 HydrophobicContact CD1-CZ 3.56Å; I218-F241 HydrophobicContact CG1-CD1 4.34Å; I218-F241 HydrophobicContact CG1-CD2 3.89Å; I218-F241 HydrophobicContact CG1-CE2 4.12Å; I218-F241 HydrophobicContact CG1-CG 4.01Å; I218-F241 HydrophobicContact CG1-CZ 4.43Å; I218-F241 HydrophobicContact CG2-CB 3.82Å; I218-F241 HydrophobicContact CG2-CD1 4.01Å; I218-F241 HydrophobicContact CG2-CG 3.92Å; L231-F241 HydrophobicContact CB-CE1 4.13Å; L231-F241 HydrophobicContact CB-CZ 4.46Å; T232-F241 HydrophobicContact CG2-CE2 4Å; T232-F241 HydrophobicContact CG2-CZ 3.93Å; F241-L328 HydrophobicContact CE1-CD1 4.29Å; F241-L328 HydrophobicContact CZ-CD1 3.86Å; F241-V330 HydrophobicContact CD2-CG2 4.41Å; F241-V330 HydrophobicContact CE2-CG2 3.97Å
242	H	98.9	Very high	98.2	Very high	51 Å²	51	22.5 Å²	22.5	24%	0.236	13%	0.125	C	C	.	.	S	Bend	trans	-128.7	-14.3	-166	-57.5	76.9	0	0	0	112.7	P213 Q214 V216 V330 P331	P213-H242 PolarHBondContact O-CE1 2.88Å; Q214-H242 PolarHBondContact O-CD2 3.16Å; Q214-H242 VanDerWaalsContact O-CD2 3.22Å; Q214-H242 PolarHBondContact O-NE2 3.37Å; V216-H242 PolarHBondContact N-ND1 3.17Å; V216-H242 PolarHBondContact O-N 3.07Å; H242-V330 WeakPolarHBondContact O-CB 3.42Å; H242-P331 WeakPolarHBondContact O-CD 3.49Å
243	K	98.9	Very high	97.8	Very high	18 Å²	18	22.8 Å²	22.8	8%	0.078	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	156.1	178	-49	179.6	-169.3	76.7	0	108.9	S215 V216 T217 I218 P331 F493 A494	S215-K243 PolarHBondContact OG-NZ 2.65Å; S215-K243 VanDerWaalsContact OG-NZ 3.14Å; V216-K243 PolarHBondContact O-N 3.24Å; T217-K243 WeakPolarHBondContact CA-O 3.23Å; T217-K243 HydrophobicContact CG2-CB 3.94Å; I218-K243 PolarHBondContact N-O 3.31Å; K243-P331 WeakPolarHBondContact CA-O 3.39Å; K243-P331 HydrophobicContact CG-CB 4.47Å; K243-P331 HydrophobicContact CG-CG 4.48Å; K243-F493 HydrophobicContact CB-CE1 3.85Å; K243-F493 HydrophobicContact CB-CZ 4.22Å; K243-F493 WeakPolarHBondContact CD-O 3.3Å; K243-F493 WeakPolarHBondContact CE-O 3.32Å; K243-A494 WeakPolarHBondContact CE-O 3.41Å; K243-A494 PolarHBondContact NZ-O 3.27Å
244	A	98.9	Very high	96.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	145.6	176.4	0	0	0	0	0	113	I218 T232 F246 P331 V332 M333 F493	I218-A244 HydrophobicContact CD1-CB 4.21Å; I218-A244 HydrophobicContact CG1-CB 3.73Å; I218-A244 CarbonylContact O-C 3.49Å; I218-A244 VanDerWaalsContact O-CA 3.24Å; I218-A244 WeakPolarHBondContact O-CA 3.44Å; T232-A244 HydrophobicContact CG2-CB 4.16Å; A244-F246 HydrophobicContact CB-CD1 4.43Å; A244-F246 HydrophobicContact CB-CE1 3.53Å; A244-F246 HydrophobicContact CB-CZ 3.79Å; A244-P331 PolarHBondContact N-O 3.32Å; A244-V332 HydrophobicContact CB-CG1 4.16Å; A244-V332 CarbonylContact O-C 3.58Å; A244-V332 VanDerWaalsContact O-CA 3.28Å; A244-V332 WeakPolarHBondContact O-CA 3.25Å; A244-M333 PolarHBondContact O-N 2.99Å; A244-F493 WeakPolarHBondContact O-CE1 3.4Å
245	I	98.9	Very high	95.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126	174.6	-50	-179.9	0	0	0	109.7	M137 T217 I218 A219 G220 Q247 M333 W490 F493	M137-I245 HydrophobicContact CE-CD1 4.03Å; T217-I245 HydrophobicContact CG2-CD1 4.09Å; T217-I245 HydrophobicContact CG2-CG1 3.94Å; I218-I245 PolarHBondContact O-N 2.72Å; A219-I245 WeakPolarHBondContact CA-O 3.36Å; A219-I245 HydrophobicContact CB-CB 3.87Å; A219-I245 HydrophobicContact CB-CD1 4.25Å; A219-I245 HydrophobicContact CB-CG1 4.3Å; G220-I245 PolarHBondContact N-O 2.83Å; I245-Q247 HydrophobicContact CG2-CG 3.98Å; I245-M333 CarbonylContact C-O 3.56Å; I245-M333 VanDerWaalsContact CA-O 3.22Å; I245-M333 WeakPolarHBondContact CA-O 3.25Å; I245-M333 HydrophobicContact CG1-CB 4.29Å; I245-M333 HydrophobicContact CG2-CB 4.27Å; I245-M333 HydrophobicContact CG2-CG 4.37Å; I245-M333 HydrophobicContact CG2-SD 4.41Å; I245-W490 HydrophobicContact CD1-CG 4.13Å; I245-F493 HydrophobicContact CD1-CD1 3.75Å; I245-F493 HydrophobicContact CD1-CE1 4.24Å; I245-F493 HydrophobicContact CG1-CD1 3.68Å; I245-F493 HydrophobicContact CG1-CE1 3.62Å
246	F	98.8	Very high	95	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	97.9	179.7	-46.2	-35.6	0	0	0	110.3	A225 A228 S229 T232 A244 G249 V250 V332 M333 M334 G335 H421	A225-F246 HydrophobicContact CB-CB 4.27Å; A228-F246 HydrophobicContact CB-CD1 3.88Å; A228-F246 HydrophobicContact CB-CE1 3.89Å; S229-F246 VanDerWaalsContact CA-CE1 3.49Å; T232-F246 HydrophobicContact CG2-CE1 4.22Å; T232-F246 HydrophobicContact CG2-CZ 3.74Å; A244-F246 HydrophobicContact CB-CD1 4.43Å; A244-F246 HydrophobicContact CB-CE1 3.53Å; A244-F246 HydrophobicContact CB-CZ 3.79Å; F246-G249 WeakPolarHBondContact CB-O 3.35Å; F246-V250 HydrophobicContact CB-CG1 4.3Å; F246-V250 HydrophobicContact CD2-CG1 4.22Å; F246-V332 HydrophobicContact CE2-CB 4.37Å; F246-V332 HydrophobicContact CE2-CG1 4.18Å; F246-V332 HydrophobicContact CZ-CG1 4.16Å; F246-M333 PolarHBondContact N-O 2.97Å; F246-M334 HydrophobicContact CB-CB 3.83Å; F246-M334 HydrophobicContact CD2-CB 4.03Å; F246-M334 HydrophobicContact CD2-CE 3.79Å; F246-M334 HydrophobicContact CD2-SD 4.36Å; F246-M334 HydrophobicContact CE2-CE 3.94Å; F246-M334 HydrophobicContact CG-CB 4.37Å; F246-M334 VanDerWaalsContact O-CA 3.23Å; F246-M334 WeakPolarHBondContact O-CA 3.3Å; F246-G335 PolarHBondContact O-N 3.19Å; F246-G335 VanDerWaalsContact O-N 3.07Å; F246-H421 AromaticContact CE2-NE2 3.84Å
247	Q	98.8	Very high	94.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	112.5	177.5	-53.4	-173.8	-134	0	0	109.4	G220 E221 S222 A225 I245 G249 Y431 D455 M459 W490	G220-Q247 WeakPolarHBondContact O-CB 3.2Å; G220-Q247 PolarHBondContact O-N 3.23Å; E221-Q247 CarbonylContact C-O 3.51Å; E221-Q247 VanDerWaalsContact CA-O 3.23Å; E221-Q247 WeakPolarHBondContact CA-O 3.31Å; E221-Q247 HydrophobicContact CB-CB 4.07Å; E221-Q247 HydrophobicContact CG-CB 4.23Å; S222-Q247 PolarHBondContact N-O 2.99Å; A225-Q247 VanDerWaalsContact CB-O 3.24Å; A225-Q247 WeakPolarHBondContact CB-O 3.27Å; I245-Q247 HydrophobicContact CG2-CG 3.98Å; Q247-G249 VanDerWaalsContact C-N 3.33Å; Q247-G249 PolarHBondContact O-N 2.83Å; Q247-Y431 WeakPolarHBondContact CB-OH 3.23Å; Q247-Y431 VanDerWaalsContact CG-OH 3.23Å; Q247-Y431 WeakPolarHBondContact CG-OH 3.26Å; Q247-D455 VanDerWaalsContact NE2-CG 3.29Å; Q247-D455 PolarHBondContact NE2-OD2 3.13Å; Q247-M459 PolarHBondContact OE1-SD 3.23Å; Q247-W490 HydrophobicContact CG-CZ2 4.33Å; Q247-W490 VanDerWaalsContact OE1-NE1 3.07Å
248	S	98.3	Very high	94.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	55.2	42.9	174	-56.8	0	0	0	0	114.1	S222 G335 E340	S222-S248 WeakPolarHBondContact CA-O 3.44Å; S248-G335 PolarHBondContact N-O 3.37Å; S248-E340 WeakPolarHBondContact CB-OE1 3.23Å; S248-E340 PolarHBondContact OG-OE1 3.25Å; S248-E340 PolarHBondContact OG-OE2 3.27Å
249	G	97.8	Very high	94	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.01	15%	0.151	C	C	.	.			trans	176.6	137	175.7	0	0	0	0	0	114.4	A225 F246 Q247	A225-G249 CarbonylContact C-O 3.55Å; A225-G249 WeakPolarHBondContact CB-O 3.39Å; F246-G249 WeakPolarHBondContact CB-O 3.35Å; Q247-G249 VanDerWaalsContact C-N 3.33Å; Q247-G249 PolarHBondContact O-N 2.83Å
250	V	98.1	Very high	93.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	15%	0.152	C	C	.	.			trans	-142	161.7	179.7	-65.5	0	0	0	0	111.9	F246 T252 L253 P413 T414 V417	F246-V250 HydrophobicContact CB-CG1 4.3Å; F246-V250 HydrophobicContact CD2-CG1 4.22Å; V250-T252 PolarHBondContact O-N 3.39Å; V250-T252 VanDerWaalsContact O-N 3.07Å; V250-L253 HydrophobicContact CG2-CD1 3.76Å; V250-L253 WeakPolarHBondContact O-CB 3.49Å; V250-L253 WeakPolarHBondContact O-CD1 3.41Å; V250-L253 PolarHBondContact O-N 2.86Å; V250-L253 VanDerWaalsContact O-N 3.12Å; V250-P413 HydrophobicContact CG2-CB 3.75Å; V250-T414 HydrophobicContact CG1-CG2 4.49Å; V250-V417 HydrophobicContact CB-CB 4.12Å; V250-V417 HydrophobicContact CB-CG1 4.16Å; V250-V417 HydrophobicContact CB-CG2 3.87Å; V250-V417 HydrophobicContact CG1-CB 4.13Å; V250-V417 HydrophobicContact CG1-CG1 4.07Å; V250-V417 HydrophobicContact CG1-CG2 4.44Å; V250-V417 HydrophobicContact CG2-CB 4.19Å; V250-V417 HydrophobicContact CG2-CG2 3.7Å
251	A	96.5	Very high	93.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.3	-170.9	0	0	0	0	0	115.5	S229 I230 L233 L253 A318	S229-A251 WeakPolarHBondContact OG-CB 3.26Å; S229-A251 PolarHBondContact OG-N 3.1Å; I230-A251 HydrophobicContact CG1-CB 3.68Å; L233-A251 HydrophobicContact CD1-CB 3.75Å; A251-L253 VanDerWaalsContact C-N 3.34Å; A251-A318 HydrophobicContact CB-CB 3.6Å; A251-A318 WeakPolarHBondContact O-CB 3.48Å
252	T	94.3	Very high	93.2	Very high	17 Å²	17	28.3 Å²	28.3	10%	0.104	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	0.7	179.5	56	0	0	0	0	113.6	V250 G254 A318 D319 L322 V417	V250-T252 PolarHBondContact O-N 3.39Å; V250-T252 VanDerWaalsContact O-N 3.07Å; T252-G254 PolarHBondContact O-N 3.37Å; T252-A318 HydrophobicContact CG2-CB 4.14Å; T252-D319 WeakPolarHBondContact CG2-OD1 3.38Å; T252-L322 HydrophobicContact CG2-CD1 3.55Å; T252-V417 HydrophobicContact CG2-CG2 3.77Å; T252-V417 VanDerWaalsContact OG1-CG2 3.25Å; T252-V417 WeakPolarHBondContact OG1-CG2 3.49Å
253	L	90.1	Very high	92.8	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.026	18%	0.183	C	C	.	.	S	Bend	trans	-65.1	120.2	175.2	-100.8	110.4	0	0	0	111.5	I226 V250 A251 T255 Y256 L409 M410 P413	I226-L253 HydrophobicContact CD1-CB 4.09Å; I226-L253 HydrophobicContact CD1-CD1 4.39Å; I226-L253 HydrophobicContact CD1-CD2 4.34Å; I226-L253 HydrophobicContact CG1-CD1 4.37Å; V250-L253 HydrophobicContact CG2-CD1 3.76Å; V250-L253 WeakPolarHBondContact O-CB 3.49Å; V250-L253 WeakPolarHBondContact O-CD1 3.41Å; V250-L253 PolarHBondContact O-N 2.86Å; V250-L253 VanDerWaalsContact O-N 3.12Å; A251-L253 VanDerWaalsContact C-N 3.34Å; L253-T255 PolarHBondContact O-N 3.2Å; L253-Y256 HydrophobicContact CB-CD2 4.1Å; L253-Y256 WeakPolarHBondContact O-CB 3.41Å; L253-Y256 WeakPolarHBondContact O-CD2 3.41Å; L253-Y256 PolarHBondContact O-N 2.83Å; L253-L409 HydrophobicContact CD2-CD1 3.67Å; L253-L409 HydrophobicContact CD2-CG 3.97Å; L253-L409 WeakPolarHBondContact CD2-O 3.5Å; L253-L409 WeakPolarHBondContact CG-O 3.47Å; L253-M410 HydrophobicContact CD1-SD 4.29Å; L253-M410 HydrophobicContact CD2-CE 4.27Å; L253-M410 HydrophobicContact CD2-SD 3.9Å; L253-P413 HydrophobicContact CD1-CB 4.31Å; L253-P413 HydrophobicContact CG-CB 4.46Å
254	G	77.6	Confident	92.5	Very high	68 Å²	68	32.3 Å²	32.3	70%	0.701	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	-130.6	164.9	0	0	0	0	0	114.5	T252	T252-G254 PolarHBondContact O-N 3.37Å
255	T	72.2	Confident	92.3	Very high	86 Å²	86	32.3 Å²	32.3	53%	0.528	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	21.7	-179.7	60.1	0	0	0	0	113.1	L253 T257	L253-T255 PolarHBondContact O-N 3.2Å; T255-T257 PolarHBondContact O-N 2.82Å
256	Y	85.9	Confident	92.1	Very high	28 Å²	28	35.6 Å²	35.6	11%	0.11	20%	0.203	C	C	.	.	S	Bend	trans	-70.5	-11.5	178.8	-79.4	-82.7	0	0	0	113.2	L145 I226 L253 I304 G306 A307	L145-Y256 HydrophobicContact CD1-CD1 3.64Å; L145-Y256 HydrophobicContact CD1-CE1 3.73Å; L145-Y256 HydrophobicContact CG-CD1 4.31Å; L145-Y256 HydrophobicContact CG-CE1 3.92Å; I226-Y256 HydrophobicContact CD1-CD1 4.11Å; I226-Y256 HydrophobicContact CD1-CD2 3.59Å; I226-Y256 HydrophobicContact CD1-CE1 4.06Å; I226-Y256 HydrophobicContact CD1-CE2 3.51Å; I226-Y256 HydrophobicContact CD1-CG 3.88Å; I226-Y256 HydrophobicContact CG2-CD1 4.01Å; I226-Y256 HydrophobicContact CG2-CG 3.89Å; L253-Y256 HydrophobicContact CB-CD2 4.1Å; L253-Y256 WeakPolarHBondContact O-CB 3.41Å; L253-Y256 WeakPolarHBondContact O-CD2 3.41Å; L253-Y256 PolarHBondContact O-N 2.83Å; Y256-I304 HydrophobicContact CD1-CG2 4.23Å; Y256-I304 HydrophobicContact CE1-CG2 3.55Å; Y256-G306 CarbonylContact O-C 3.55Å; Y256-G306 WeakPolarHBondContact O-CA 3.33Å; Y256-A307 WeakPolarHBondContact O-CB 3.48Å; Y256-A307 PolarHBondContact O-N 2.54Å
257	T	92.1	Very high	91.8	Very high	16 Å²	16	39.8 Å²	39.8	10%	0.098	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.8	158.8	64.1	0	0	0	0	109.3	I230 T255 A307 L314 A318	I230-T257 HydrophobicContact CD1-CG2 4.03Å; I230-T257 HydrophobicContact CG1-CG2 4.13Å; T255-T257 PolarHBondContact O-N 2.82Å; T257-A307 CarbonylContact C-O 3.42Å; T257-A307 WeakPolarHBondContact CA-O 3.33Å; T257-A307 HydrophobicContact CG2-CB 4.29Å; T257-L314 HydrophobicContact CG2-CD2 3.82Å; T257-A318 HydrophobicContact CG2-CB 3.93Å; T257-A318 PolarHBondContact OG1-N 2.91Å; T257-A318 VanDerWaalsContact OG1-N 3.17Å
258	S	90.7	Very high	91.6	Very high	16 Å²	16	39.8 Å²	39.8	11%	0.112	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	133.2	-174.3	-178.3	0	0	0	0	111.8	Q260 A307 A308 V309	S258-Q260 PolarHBondContact OG-N 2.94Å; S258-Q260 VanDerWaalsContact OG-N 3.16Å; S258-A307 PolarHBondContact N-O 3.24Å; S258-A308 WeakPolarHBondContact O-CA 3.33Å; S258-V309 PolarHBondContact O-N 3.24Å
259	D	91.8	Very high	91.4	Very high	102 Å²	102	39.8 Å²	39.8	55%	0.545	23%	0.225	S	C	.	.	S	Bend	trans	-95	1.1	169.8	65.3	-20	0	0	0	112.7	V309 T317	D259-V309 HydrophobicContact CB-CB 4.43Å; D259-V309 HydrophobicContact CB-CG2 4.27Å; D259-T317 HydrophobicContact CB-CG2 4.26Å
260	Q	91.3	Very high	91.3	Very high	110 Å²	110	46.3 Å²	46.3	51%	0.514	26%	0.26	S	S	.	.			trans	-126.2	51.4	179.2	-62.3	-62.5	-40.9	0	0	112.5	S258 L262 L263 Q264	S258-Q260 PolarHBondContact OG-N 2.94Å; S258-Q260 VanDerWaalsContact OG-N 3.16Å; Q260-L262 PolarHBondContact O-N 3.03Å; Q260-L262 VanDerWaalsContact O-N 3.15Å; Q260-L263 HydrophobicContact CB-CD1 4.24Å; Q260-L263 PolarHBondContact O-N 3.25Å; Q260-Q264 PolarHBondContact O-OE1 2.85Å
261	P	93.4	Very high	91.1	Very high	15 Å²	15	48.9 Å²	48.9	10%	0.097	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-23.8	-172.7	26.4	-36.2	0	0	0	114.7	S180 L263 Q264 A265 A308	S180-P261 WeakPolarHBondContact OG-CG 3.34Å; P261-L263 PolarHBondContact O-N 3.39Å; P261-Q264 PolarHBondContact O-N 3.3Å; P261-Q264 PolarHBondContact O-OE1 2.94Å; P261-A265 PolarHBondContact O-N 3.41Å; P261-A265 VanDerWaalsContact O-N 3.12Å; P261-A308 HydrophobicContact CB-CB 4.19Å; P261-A308 HydrophobicContact CG-CB 4.24Å
262	L	94.4	Very high	90.9	Very high	61 Å²	61	49.6 Å²	49.6	32%	0.319	28%	0.277	S	S	.	.	H	α-helix	trans	-62.1	-29.4	-178	-174.8	62.7	0	0	0	112.8	Q260 A265 H266 T279	Q260-L262 PolarHBondContact O-N 3.03Å; Q260-L262 VanDerWaalsContact O-N 3.15Å; L262-A265 HydrophobicContact CD1-CB 4.41Å; L262-A265 PolarHBondContact O-N 2.93Å; L262-H266 PolarHBondContact O-N 3.49Å; L262-T279 HydrophobicContact CD1-CG2 3.85Å
263	L	91.2	Very high	91	Very high	112 Å²	112	52 Å²	52	59%	0.586	31%	0.306	S	S	*	.	H	α-helix	trans	-62.8	-44.2	176.6	-66.9	177.5	0	0	0	111.5	Q260 P261 H266 I267	Q260-L263 HydrophobicContact CB-CD1 4.24Å; Q260-L263 PolarHBondContact O-N 3.25Å; P261-L263 PolarHBondContact O-N 3.39Å; L263-H266 PolarHBondContact O-N 2.87Å; L263-I267 PolarHBondContact O-N 2.86Å
264	Q	91.3	Very high	91.3	Very high	40 Å²	40	52.1 Å²	52.1	19%	0.187	31%	0.307	C	S	.	.	H	α-helix	trans	-69	-36.5	175.6	-67.1	83.5	-6.5	0	0	111.5	Q260 P261 H266 I267 V268 I303 L305	Q260-Q264 PolarHBondContact O-OE1 2.85Å; P261-Q264 PolarHBondContact O-N 3.3Å; P261-Q264 PolarHBondContact O-OE1 2.94Å; Q264-H266 VanDerWaalsContact C-N 3.29Å; Q264-H266 PolarHBondContact O-N 3.37Å; Q264-I267 WeakPolarHBondContact O-CB 3.33Å; Q264-I267 PolarHBondContact O-N 2.96Å; Q264-I267 VanDerWaalsContact O-N 3.13Å; Q264-V268 PolarHBondContact O-N 3.18Å; Q264-I303 HydrophobicContact CB-CD1 4.28Å; Q264-L305 HydrophobicContact CB-CD2 3.54Å; Q264-L305 HydrophobicContact CG-CD2 4.08Å
265	A	94.8	Very high	92	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-36.8	175.5	0	0	0	0	0	112.6	L179 S180 P261 L262 V268 A269 L282	L179-A265 HydrophobicContact CD1-CB 4.09Å; S180-A265 WeakPolarHBondContact O-CB 3.44Å; P261-A265 PolarHBondContact O-N 3.41Å; P261-A265 VanDerWaalsContact O-N 3.12Å; L262-A265 HydrophobicContact CD1-CB 4.41Å; L262-A265 PolarHBondContact O-N 2.93Å; A265-V268 PolarHBondContact O-N 2.86Å; A265-A269 WeakPolarHBondContact O-CB 3.12Å; A265-A269 PolarHBondContact O-N 3.33Å; A265-L282 HydrophobicContact CB-CD2 4.23Å
266	H	94.4	Very high	92.9	Very high	69 Å²	69	52 Å²	52	32%	0.319	29%	0.29	S	S	.	.	H	α-helix	trans	-65	-37.2	174	-67.7	168.8	0	0	0	113	L262 L263 Q264 A269 N270 I276	L262-H266 PolarHBondContact O-N 3.49Å; L263-H266 PolarHBondContact O-N 2.87Å; Q264-H266 VanDerWaalsContact C-N 3.29Å; Q264-H266 PolarHBondContact O-N 3.37Å; H266-A269 PolarHBondContact O-N 2.9Å; H266-N270 PolarHBondContact O-N 3.16Å; H266-I276 HydrophobicContact CB-CD1 3.93Å; H266-I276 WeakPolarHBondContact CD2-CG2 3.3Å; H266-I276 VanDerWaalsContact NE2-CG2 3.32Å; H266-I276 WeakPolarHBondContact NE2-CG2 3.37Å
267	I	92.6	Very high	93.1	Very high	88 Å²	88	55.2 Å²	55.2	45%	0.451	32%	0.316	S	S	.	.	H	α-helix	trans	-63.6	-45.5	174.3	-60.7	169.9	0	0	0	109.5	L263 Q264 A269 N270 L271 I303	L263-I267 PolarHBondContact O-N 2.86Å; Q264-I267 WeakPolarHBondContact O-CB 3.33Å; Q264-I267 PolarHBondContact O-N 2.96Å; Q264-I267 VanDerWaalsContact O-N 3.13Å; I267-A269 VanDerWaalsContact C-N 3.34Å; I267-A269 PolarHBondContact O-N 3.31Å; I267-N270 PolarHBondContact O-N 3.09Å; I267-L271 HydrophobicContact CG2-CD1 3.94Å; I267-L271 HydrophobicContact CG2-CG 4.45Å; I267-L271 WeakPolarHBondContact O-CG 3.4Å; I267-L271 PolarHBondContact O-N 3.16Å; I267-I303 HydrophobicContact CB-CD1 3.98Å; I267-I303 HydrophobicContact CD1-CD1 4.39Å; I267-I303 HydrophobicContact CG2-CD1 3.85Å
268	V	94.6	Very high	93.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-60.6	-43.2	176.2	173.9	0	0	0	0	111.3	I175 L179 Q264 A265 N270 L271 T272 L286 I303 L305	I175-V268 HydrophobicContact CD1-CG1 3.7Å; I175-V268 HydrophobicContact CD1-CG2 4.34Å; I175-V268 HydrophobicContact CG1-CG1 3.92Å; I175-V268 HydrophobicContact CG1-CG2 4.05Å; I175-V268 HydrophobicContact CG2-CG1 4.07Å; L179-V268 HydrophobicContact CD1-CB 4.06Å; L179-V268 HydrophobicContact CD1-CG1 4.05Å; L179-V268 HydrophobicContact CD1-CG2 4.1Å; Q264-V268 PolarHBondContact O-N 3.18Å; A265-V268 PolarHBondContact O-N 2.86Å; V268-N270 VanDerWaalsContact C-N 3.31Å; V268-N270 PolarHBondContact O-N 2.98Å; V268-L271 PolarHBondContact O-N 2.92Å; V268-T272 HydrophobicContact CG1-CG2 4.14Å; V268-T272 WeakPolarHBondContact O-CB 3.29Å; V268-T272 WeakPolarHBondContact O-CG2 3.17Å; V268-T272 PolarHBondContact O-N 3.42Å; V268-T272 PolarHBondContact O-OG1 2.87Å; V268-L286 HydrophobicContact CG1-CD1 4.3Å; V268-L286 HydrophobicContact CG1-CD2 4.19Å; V268-I303 HydrophobicContact CG2-CD1 4.19Å; V268-L305 HydrophobicContact CG2-CD1 4.31Å
269	A	95.4	Very high	93.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-57.8	-44.8	177.3	0	0	0	0	0	111.6	A265 H266 I267 T272 G273 C274 I276 L282	A265-A269 WeakPolarHBondContact O-CB 3.12Å; A265-A269 PolarHBondContact O-N 3.33Å; H266-A269 PolarHBondContact O-N 2.9Å; I267-A269 VanDerWaalsContact C-N 3.34Å; I267-A269 PolarHBondContact O-N 3.31Å; A269-T272 PolarHBondContact O-N 3.25Å; A269-T272 PolarHBondContact O-OG1 2.96Å; A269-G273 PolarHBondContact O-N 3.47Å; A269-C274 PolarHBondContact O-N 3.48Å; A269-I276 HydrophobicContact CB-CD1 3.87Å; A269-I276 HydrophobicContact CB-CG1 3.44Å; A269-I276 VanDerWaalsContact CB-CG1 3.44Å; A269-L282 HydrophobicContact CB-CD1 3.53Å; A269-L282 HydrophobicContact CB-CD2 4.24Å
270	N	94.1	Very high	93.8	Very high	138 Å²	138	56.9 Å²	56.9	74%	0.738	33%	0.325	S	S	*	.	H	α-helix	trans	-64	-44.8	177.5	-172.4	41.9	0	0	0	112.1	H266 I267 V268 T272 G273	H266-N270 PolarHBondContact O-N 3.16Å; I267-N270 PolarHBondContact O-N 3.09Å; V268-N270 VanDerWaalsContact C-N 3.31Å; V268-N270 PolarHBondContact O-N 2.98Å; N270-T272 VanDerWaalsContact C-N 3.27Å; N270-T272 PolarHBondContact O-N 3.38Å; N270-G273 PolarHBondContact O-N 3.25Å
271	L	93.4	Very high	94.1	Very high	55 Å²	55	55.7 Å²	55.7	29%	0.288	32%	0.32	S	S	.	.	H	α-helix	trans	-65.9	-29.4	178.9	-68.5	169.8	0	0	0	113.2	I267 V268 V297 S301	I267-L271 HydrophobicContact CG2-CD1 3.94Å; I267-L271 HydrophobicContact CG2-CG 4.45Å; I267-L271 WeakPolarHBondContact O-CG 3.4Å; I267-L271 PolarHBondContact O-N 3.16Å; V268-L271 PolarHBondContact O-N 2.92Å; L271-V297 HydrophobicContact CB-CG1 3.99Å; L271-V297 HydrophobicContact CB-CG2 4.41Å; L271-V297 HydrophobicContact CD1-CG1 4.08Å; L271-S301 WeakPolarHBondContact CD1-OG 3.21Å
272	T	94.3	Very high	94.3	Very high	14 Å²	14	55 Å²	55	9%	0.086	32%	0.315	C	S	.	.	H	α-helix	trans	-96	-7.5	-177.9	55.4	0	0	0	0	113.4	V268 A269 N270 C274 L286 K289 V297	V268-T272 HydrophobicContact CG1-CG2 4.14Å; V268-T272 WeakPolarHBondContact O-CB 3.29Å; V268-T272 WeakPolarHBondContact O-CG2 3.17Å; V268-T272 PolarHBondContact O-N 3.42Å; V268-T272 PolarHBondContact O-OG1 2.87Å; A269-T272 PolarHBondContact O-N 3.25Å; A269-T272 PolarHBondContact O-OG1 2.96Å; N270-T272 VanDerWaalsContact C-N 3.27Å; N270-T272 PolarHBondContact O-N 3.38Å; T272-C274 PolarHBondContact O-N 3.45Å; T272-L286 HydrophobicContact CG2-CD2 3.77Å; T272-L286 WeakPolarHBondContact OG1-CD2 3.21Å; T272-K289 WeakPolarHBondContact O-CE 3.45Å; T272-K289 PolarHBondContact O-NZ 3.42Å; T272-V297 HydrophobicContact CG2-CG2 3.88Å
273	G	95.3	Very high	94.3	Very high	68 Å²	68	52.3 Å²	52.3	70%	0.701	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	19.4	-172.4	0	0	0	0	0	113.6	A269 N270	A269-G273 PolarHBondContact O-N 3.47Å; N270-G273 PolarHBondContact O-N 3.25Å
274	C	96.4	Very high	94.6	Very high	8 Å²	8	52.3 Å²	52.3	5%	0.054	29%	0.293	C	S	.	.			trans	-80.8	140.3	176.2	-77.2	0	0	0	0	111	A269 T272 L282 C285 L286	A269-C274 PolarHBondContact O-N 3.48Å; T272-C274 PolarHBondContact O-N 3.45Å; C274-L282 HydrophobicContact CB-CD1 3.66Å; C274-C285 WeakPolarHBondContact CA-SG 3.47Å; C274-C285 HydrophobicContact CB-CB 3.71Å; C274-C285 WeakPolarHBondContact CB-SG 3.25Å; C274-C285 WeakPolarHBondContact SG-CB 3.44Å; C274-C285 CovalentContact SG-SG 2.04Å; C274-C285 PolarHBondContact SG-SG 3.49Å; C274-L286 HydrophobicContact CB-CD2 4.49Å
275	C	91.9	Very high	94.8	Very high	67 Å²	67	52.5 Å²	52.5	45%	0.453	30%	0.298	S	S	.	.			trans	-69.5	140.5	177.2	-169.2	0	0	0	0	111.1	C277	C275-C277 HydrophobicContact CB-CB 4.07Å; C275-C277 WeakPolarHBondContact CB-SG 3.36Å; C275-C277 PolarHBondContact O-N 3.47Å; C275-C277 VanDerWaalsContact SG-CA 3.55Å; C275-C277 WeakPolarHBondContact SG-CB 3.41Å; C275-C277 PolarHBondContact SG-N 2.77Å; C275-C277 CovalentContact SG-SG 2.05Å; C275-C277 PolarHBondContact SG-SG 3.22Å
276	I	90.6	Very high	94.9	Very high	83 Å²	83	52.4 Å²	52.4	43%	0.426	30%	0.298	S	S	.	.			trans	-93.9	38.4	167.7	-45.3	167.7	0	0	0	109.3	H266 A269 S278	H266-I276 HydrophobicContact CB-CD1 3.93Å; H266-I276 WeakPolarHBondContact CD2-CG2 3.3Å; H266-I276 VanDerWaalsContact NE2-CG2 3.32Å; H266-I276 WeakPolarHBondContact NE2-CG2 3.37Å; A269-I276 HydrophobicContact CB-CD1 3.87Å; A269-I276 HydrophobicContact CB-CG1 3.44Å; A269-I276 VanDerWaalsContact CB-CG1 3.44Å; I276-S278 VanDerWaalsContact C-N 3.3Å
277	C	91.8	Very high	94.9	Very high	97 Å²	97	53.7 Å²	53.7	66%	0.655	30%	0.3	S	S	*	.	S	Bend	trans	-65.5	-39.2	-177.6	-70	0	0	0	0	110.5	C275 E281	C275-C277 HydrophobicContact CB-CB 4.07Å; C275-C277 WeakPolarHBondContact CB-SG 3.36Å; C275-C277 PolarHBondContact O-N 3.47Å; C275-C277 VanDerWaalsContact SG-CA 3.55Å; C275-C277 WeakPolarHBondContact SG-CB 3.41Å; C275-C277 PolarHBondContact SG-N 2.77Å; C275-C277 CovalentContact SG-SG 2.05Å; C275-C277 PolarHBondContact SG-SG 3.22Å; C277-E281 HydrophobicContact CB-CB 4.34Å; C277-E281 HydrophobicContact CB-CG 4.46Å
278	S	96.4	Very high	95.1	Very high	49 Å²	49	52.6 Å²	52.6	34%	0.343	31%	0.31	S	S	.	.			trans	-156.7	165.5	166.4	67	0	0	0	0	108.1	I276 E280 E281 L282	I276-S278 VanDerWaalsContact C-N 3.3Å; S278-E280 VanDerWaalsContact C-N 3.32Å; S278-E281 PolarHBondContact O-N 2.65Å; S278-E281 WeakPolarHBondContact OG-CG 3.17Å; S278-E281 PolarHBondContact OG-N 3.05Å; S278-E281 VanDerWaalsContact OG-N 3.12Å; S278-L282 PolarHBondContact O-N 3.39Å
279	T	96.8	Very high	95.2	Very high	30 Å²	30	54.3 Å²	54.3	18%	0.184	32%	0.318	C	S	.	.	H	α-helix	trans	-64.9	-36.2	175.3	42.9	0	0	0	0	111.8	T181 D183 H185 L262 L282 V283	T181-T279 HydrophobicContact CG2-CG2 3.9Å; D183-T279 WeakPolarHBondContact OD2-CB 3.33Å; D183-T279 WeakPolarHBondContact OD2-CG2 3.43Å; D183-T279 PolarHBondContact OD2-OG1 2.73Å; H185-T279 PolarHBondContact CD2-OG1 2.59Å; L262-T279 HydrophobicContact CD1-CG2 3.85Å; T279-L282 PolarHBondContact O-N 2.9Å; T279-V283 WeakPolarHBondContact O-CG2 3.41Å; T279-V283 PolarHBondContact O-N 2.85Å
280	E	96.4	Very high	95.3	Very high	90 Å²	90	57.8 Å²	57.8	42%	0.421	34%	0.339	S	S	.	.	H	α-helix	trans	-60.3	-48.4	172	-165.3	-171.6	167.2	0	0	112.8	S278 L282 V283 R284	S278-E280 VanDerWaalsContact C-N 3.32Å; E280-L282 VanDerWaalsContact C-N 3.32Å; E280-L282 PolarHBondContact O-N 3.33Å; E280-V283 PolarHBondContact O-N 3.24Å; E280-R284 WeakPolarHBondContact O-CB 3.07Å; E280-R284 PolarHBondContact O-N 2.84Å; E280-R284 IonicContact OE1-CZ 2.83Å; E280-R284 IonicContact OE1-NH2 2.72Å; E280-R284 PolarHBondContact OE1-NH2 2.81Å
281	E	96.6	Very high	95.3	Very high	85 Å²	85	53.5 Å²	53.5	40%	0.397	31%	0.314	S	S	.	.	H	α-helix	trans	-65.5	-36.5	178.7	-73.7	-61.1	157.8	0	0	111.9	C277 S278 R284 C285	C277-E281 HydrophobicContact CB-CB 4.34Å; C277-E281 HydrophobicContact CB-CG 4.46Å; S278-E281 PolarHBondContact O-N 2.65Å; S278-E281 WeakPolarHBondContact OG-CG 3.17Å; S278-E281 PolarHBondContact OG-N 3.05Å; S278-E281 VanDerWaalsContact OG-N 3.12Å; E281-R284 PolarHBondContact O-N 3.07Å; E281-R284 IonicContact OE1-CZ 3.25Å; E281-R284 IonicContact OE1-NH1 3.89Å; E281-R284 PolarHBondContact OE1-NH1 3.02Å; E281-R284 IonicContact OE2-CZ 2.9Å; E281-R284 IonicContact OE2-NH1 3.45Å; E281-R284 PolarHBondContact OE2-NH1 3.35Å; E281-C285 VanDerWaalsContact O-CB 3.32Å; E281-C285 WeakPolarHBondContact O-CB 3.03Å; E281-C285 PolarHBondContact O-N 2.98Å
282	L	96.8	Very high	95.4	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-60.4	-51.4	174.3	174.2	56.9	0	0	0	110.8	T181 A265 A269 C274 S278 T279 E280 R284 C285 L286	T181-L282 HydrophobicContact CG2-CD2 4.42Å; A265-L282 HydrophobicContact CB-CD2 4.23Å; A269-L282 HydrophobicContact CB-CD1 3.53Å; A269-L282 HydrophobicContact CB-CD2 4.24Å; C274-L282 HydrophobicContact CB-CD1 3.66Å; S278-L282 PolarHBondContact O-N 3.39Å; T279-L282 PolarHBondContact O-N 2.9Å; E280-L282 VanDerWaalsContact C-N 3.32Å; E280-L282 PolarHBondContact O-N 3.33Å; L282-R284 VanDerWaalsContact C-N 3.33Å; L282-R284 PolarHBondContact O-N 3.37Å; L282-C285 WeakPolarHBondContact O-CB 2.93Å; L282-C285 PolarHBondContact O-N 3.16Å; L282-L286 HydrophobicContact CD1-CD1 3.79Å; L282-L286 HydrophobicContact CD1-CG 4.08Å; L282-L286 HydrophobicContact CG-CD1 4.03Å; L282-L286 WeakPolarHBondContact O-CG 3.4Å; L282-L286 PolarHBondContact O-N 3.19Å
283	V	96.3	Very high	95.5	Very high	3 Å²	3	59 Å²	59	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-63.1	-41.2	179.2	174.8	0	0	0	0	111	T181 H185 A186 T279 E280 C285 L286 R287	T181-V283 HydrophobicContact CG2-CG2 4.01Å; H185-V283 HydrophobicContact CB-CG2 4.21Å; A186-V283 HydrophobicContact CB-CG2 3.62Å; T279-V283 WeakPolarHBondContact O-CG2 3.41Å; T279-V283 PolarHBondContact O-N 2.85Å; E280-V283 PolarHBondContact O-N 3.24Å; V283-C285 PolarHBondContact O-N 3.18Å; V283-L286 PolarHBondContact O-N 2.76Å; V283-R287 HydrophobicContact CG1-CG 4.47Å; V283-R287 WeakPolarHBondContact O-CB 3.32Å; V283-R287 WeakPolarHBondContact O-CG 3.42Å; V283-R287 PolarHBondContact O-N 3.07Å
284	R	95.9	Very high	95.4	Very high	112 Å²	112	56.3 Å²	56.3	42%	0.423	31%	0.31	S	S	.	.	H	α-helix	trans	-59.2	-46.2	174.7	-176.2	-176	-67.3	105.2	1.5	111.6	E280 E281 L282 R287 G288	E280-R284 WeakPolarHBondContact O-CB 3.07Å; E280-R284 PolarHBondContact O-N 2.84Å; E280-R284 IonicContact OE1-CZ 2.83Å; E280-R284 IonicContact OE1-NH2 2.72Å; E280-R284 PolarHBondContact OE1-NH2 2.81Å; E281-R284 PolarHBondContact O-N 3.07Å; E281-R284 IonicContact OE1-CZ 3.25Å; E281-R284 IonicContact OE1-NH1 3.89Å; E281-R284 PolarHBondContact OE1-NH1 3.02Å; E281-R284 IonicContact OE2-CZ 2.9Å; E281-R284 IonicContact OE2-NH1 3.45Å; E281-R284 PolarHBondContact OE2-NH1 3.35Å; L282-R284 VanDerWaalsContact C-N 3.33Å; L282-R284 PolarHBondContact O-N 3.37Å; R284-R287 PolarHBondContact O-N 2.91Å; R284-G288 PolarHBondContact O-N 3.39Å
285	C	96.6	Very high	95.4	Very high	44 Å²	44	57 Å²	57	30%	0.297	31%	0.314	S	S	.	.	H	α-helix	trans	-60.2	-47.6	177	177.9	0	0	0	0	111.6	C274 E281 L282 V283 R287 G288 K289	C274-C285 WeakPolarHBondContact CA-SG 3.47Å; C274-C285 HydrophobicContact CB-CB 3.71Å; C274-C285 WeakPolarHBondContact CB-SG 3.25Å; C274-C285 WeakPolarHBondContact SG-CB 3.44Å; C274-C285 CovalentContact SG-SG 2.04Å; C274-C285 PolarHBondContact SG-SG 3.49Å; E281-C285 VanDerWaalsContact O-CB 3.32Å; E281-C285 WeakPolarHBondContact O-CB 3.03Å; E281-C285 PolarHBondContact O-N 2.98Å; L282-C285 WeakPolarHBondContact O-CB 2.93Å; L282-C285 PolarHBondContact O-N 3.16Å; V283-C285 PolarHBondContact O-N 3.18Å; C285-R287 VanDerWaalsContact C-N 3.35Å; C285-R287 PolarHBondContact O-N 2.92Å; C285-G288 WeakPolarHBondContact O-CA 3.33Å; C285-G288 PolarHBondContact O-N 2.87Å; C285-K289 PolarHBondContact O-N 2.98Å
286	L	96	Very high	95.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-35.3	179.6	-66.9	171.9	0	0	0	112.5	R67 M68 L179 V268 T272 C274 L282 V283 G288 K289 F294	R67-L286 PolarHBondContact NH1-O 3.14Å; M68-L286 HydrophobicContact CE-CB 3.97Å; M68-L286 HydrophobicContact CE-CD1 4.43Å; M68-L286 HydrophobicContact SD-CB 4.37Å; L179-L286 HydrophobicContact CD1-CD1 4.36Å; L179-L286 HydrophobicContact CD2-CD1 3.31Å; L179-L286 HydrophobicContact CG-CD1 4.46Å; V268-L286 HydrophobicContact CG1-CD1 4.3Å; V268-L286 HydrophobicContact CG1-CD2 4.19Å; T272-L286 HydrophobicContact CG2-CD2 3.77Å; T272-L286 WeakPolarHBondContact OG1-CD2 3.21Å; C274-L286 HydrophobicContact CB-CD2 4.49Å; L282-L286 HydrophobicContact CD1-CD1 3.79Å; L282-L286 HydrophobicContact CD1-CG 4.08Å; L282-L286 HydrophobicContact CG-CD1 4.03Å; L282-L286 WeakPolarHBondContact O-CG 3.4Å; L282-L286 PolarHBondContact O-N 3.19Å; V283-L286 PolarHBondContact O-N 2.76Å; L286-G288 PolarHBondContact O-N 2.73Å; L286-K289 HydrophobicContact CD2-CG 4.49Å; L286-K289 WeakPolarHBondContact O-CB 3.41Å; L286-K289 PolarHBondContact O-N 2.84Å; L286-K289 VanDerWaalsContact O-N 3.14Å; L286-F294 HydrophobicContact CD2-CE1 4.38Å; L286-F294 WeakPolarHBondContact O-CZ 3.31Å
287	R	95.8	Very high	95.5	Very high	96 Å²	96	52.9 Å²	52.9	36%	0.362	29%	0.292	S	S	.	.	H	α-helix	trans	-64.7	-23.5	170.6	-75.5	-176.9	176.3	139.7	4.2	113.4	R67 M68 V283 R284 C285	R67-R287 HydrophobicContact CB-CG 4.44Å; R67-R287 PolarHBondContact NH1-O 3.48Å; R67-R287 PolarHBondContact O-NE 3.12Å; R67-R287 PolarHBondContact O-NH2 3.34Å; M68-R287 PolarHBondContact O-NH2 2.95Å; V283-R287 HydrophobicContact CG1-CG 4.47Å; V283-R287 WeakPolarHBondContact O-CB 3.32Å; V283-R287 WeakPolarHBondContact O-CG 3.42Å; V283-R287 PolarHBondContact O-N 3.07Å; R284-R287 PolarHBondContact O-N 2.91Å; C285-R287 VanDerWaalsContact C-N 3.35Å; C285-R287 PolarHBondContact O-N 2.92Å
288	G	95.8	Very high	95.4	Very high	64 Å²	64	50.4 Å²	50.4	66%	0.66	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-9.7	173.7	0	0	0	0	0	114.9	R284 C285 L286	R284-G288 PolarHBondContact O-N 3.39Å; C285-G288 WeakPolarHBondContact O-CA 3.33Å; C285-G288 PolarHBondContact O-N 2.87Å; L286-G288 PolarHBondContact O-N 2.73Å
289	K	96.7	Very high	95.1	Very high	37 Å²	37	53.2 Å²	53.2	16%	0.161	29%	0.285	C	S	.	.			trans	-73.6	152.4	-179.5	-65.7	-69.7	-179.1	176.8	0	112.3	R67 T272 C285 L286 E293 F294	R67-K289 PolarHBondContact NH1-O 3.32Å; R67-K289 PolarHBondContact NH2-O 3.16Å; T272-K289 WeakPolarHBondContact O-CE 3.45Å; T272-K289 PolarHBondContact O-NZ 3.42Å; C285-K289 PolarHBondContact O-N 2.98Å; L286-K289 HydrophobicContact CD2-CG 4.49Å; L286-K289 WeakPolarHBondContact O-CB 3.41Å; L286-K289 PolarHBondContact O-N 2.84Å; L286-K289 VanDerWaalsContact O-N 3.14Å; K289-E293 WeakPolarHBondContact CA-OE2 3.13Å; K289-E293 HydrophobicContact CB-CB 4.49Å; K289-E293 HydrophobicContact CD-CB 4.35Å; K289-E293 HydrophobicContact CD-CG 4.46Å; K289-E293 WeakPolarHBondContact CD-OE1 3Å; K289-E293 WeakPolarHBondContact CD-OE2 3.27Å; K289-E293 IonicContact NZ-OE1 2.8Å; K289-E293 PolarHBondContact NZ-OE1 3.4Å; K289-F294 HydrophobicContact CB-CE1 4.3Å; K289-F294 HydrophobicContact CB-CE2 3.91Å; K289-F294 HydrophobicContact CB-CZ 3.74Å; K289-F294 HydrophobicContact CG-CZ 4.47Å
290	T	96.6	Very high	94.4	Very high	72 Å²	72	58.4 Å²	58.4	44%	0.442	31%	0.307	S	S	.	.			trans	-83.2	160.3	173.7	61	0	0	0	0	111.4	D292 E293 F294	T290-D292 VanDerWaalsContact C-N 3.27Å; T290-D292 PolarHBondContact O-N 3.01Å; T290-E293 PolarHBondContact N-OE2 3.17Å; T290-E293 PolarHBondContact O-N 3.34Å; T290-E293 VanDerWaalsContact OG1-CG 3.32Å; T290-E293 WeakPolarHBondContact OG1-CG 3.49Å; T290-E293 PolarHBondContact OG1-N 3.04Å; T290-E293 PolarHBondContact OG1-OE2 3.2Å; T290-F294 VanDerWaalsContact O-CD2 3.26Å; T290-F294 WeakPolarHBondContact O-CD2 3.43Å; T290-F294 PolarHBondContact O-N 3.26Å
291	Q	94.6	Very high	93.5	Very high	48 Å²	48	55.5 Å²	55.5	22%	0.224	30%	0.297	C	S	.	.	H	α-helix	trans	-54.5	-44	171.1	169	170.6	-54.4	0	0	111.7	V91 V113 E293 F294 I295	V91-Q291 HydrophobicContact CB-CG 4.36Å; V91-Q291 HydrophobicContact CG1-CG 3.76Å; V91-Q291 HydrophobicContact CG2-CB 4.49Å; V91-Q291 HydrophobicContact CG2-CG 3.7Å; V91-Q291 VanDerWaalsContact CG2-OE1 3.3Å; V113-Q291 PolarHBondContact O-NE2 3.36Å; Q291-E293 VanDerWaalsContact C-N 3.3Å; Q291-E293 PolarHBondContact O-N 3.09Å; Q291-F294 WeakPolarHBondContact O-CB 3.44Å; Q291-F294 PolarHBondContact O-N 3.06Å; Q291-I295 HydrophobicContact CG-CD1 3.87Å; Q291-I295 HydrophobicContact CG-CG1 4.43Å; Q291-I295 WeakPolarHBondContact O-CG1 3.24Å; Q291-I295 PolarHBondContact O-N 2.84Å
292	D	95.5	Very high	92.5	Very high	116 Å²	116	58.8 Å²	58.8	62%	0.62	31%	0.31	S	S	*	.	H	α-helix	trans	-64.1	-34.1	-178.1	-67.3	-16.1	0	0	0	112.6	T290 F294 I295 S296	T290-D292 VanDerWaalsContact C-N 3.27Å; T290-D292 PolarHBondContact O-N 3.01Å; D292-F294 VanDerWaalsContact C-N 3.33Å; D292-I295 PolarHBondContact O-N 2.85Å; D292-S296 WeakPolarHBondContact O-CB 3.46Å; D292-S296 PolarHBondContact O-N 3.02Å
293	E	96	Very high	91.9	Very high	70 Å²	70	60.3 Å²	60.3	33%	0.327	32%	0.317	S	S	.	.	H	α-helix	trans	-63.9	-39.1	173.2	-75.6	171.4	104.5	0	0	111.6	K289 T290 Q291 S296 V297	K289-E293 WeakPolarHBondContact CA-OE2 3.13Å; K289-E293 HydrophobicContact CB-CB 4.49Å; K289-E293 HydrophobicContact CD-CB 4.35Å; K289-E293 HydrophobicContact CD-CG 4.46Å; K289-E293 WeakPolarHBondContact CD-OE1 3Å; K289-E293 WeakPolarHBondContact CD-OE2 3.27Å; K289-E293 IonicContact NZ-OE1 2.8Å; K289-E293 PolarHBondContact NZ-OE1 3.4Å; T290-E293 PolarHBondContact N-OE2 3.17Å; T290-E293 PolarHBondContact O-N 3.34Å; T290-E293 VanDerWaalsContact OG1-CG 3.32Å; T290-E293 WeakPolarHBondContact OG1-CG 3.49Å; T290-E293 PolarHBondContact OG1-N 3.04Å; T290-E293 PolarHBondContact OG1-OE2 3.2Å; Q291-E293 VanDerWaalsContact C-N 3.3Å; Q291-E293 PolarHBondContact O-N 3.09Å; E293-S296 PolarHBondContact O-N 3.26Å; E293-V297 VanDerWaalsContact O-CG2 3.29Å; E293-V297 WeakPolarHBondContact O-CG2 3.31Å; E293-V297 PolarHBondContact O-N 2.65Å
294	F	95.1	Very high	91.4	Very high	10 Å²	10	62 Å²	62	4%	0.044	33%	0.326	C	S	.	.	H	α-helix	trans	-67.9	-40.6	175	-66.9	-58.5	0	0	0	112.4	M68 V91 I175 L176 L286 K289 T290 Q291 D292 S296 V297 A298	M68-F294 HydrophobicContact CE-CZ 4.4Å; V91-F294 HydrophobicContact CG1-CB 4.25Å; I175-F294 HydrophobicContact CB-CD1 4.15Å; I175-F294 HydrophobicContact CB-CE1 4.26Å; I175-F294 HydrophobicContact CD1-CD1 4.01Å; I175-F294 HydrophobicContact CD1-CE1 4.48Å; I175-F294 HydrophobicContact CG2-CD1 4.07Å; I175-F294 HydrophobicContact CG2-CE1 3.67Å; L176-F294 HydrophobicContact CD1-CD2 4.19Å; L176-F294 HydrophobicContact CD2-CD2 4.02Å; L176-F294 HydrophobicContact CD2-CE2 3.63Å; L176-F294 HydrophobicContact CD2-CZ 3.91Å; L176-F294 HydrophobicContact CG-CD2 4.22Å; L176-F294 HydrophobicContact CG-CE2 4.31Å; L286-F294 HydrophobicContact CD2-CE1 4.38Å; L286-F294 WeakPolarHBondContact O-CZ 3.31Å; K289-F294 HydrophobicContact CB-CE1 4.3Å; K289-F294 HydrophobicContact CB-CE2 3.91Å; K289-F294 HydrophobicContact CB-CZ 3.74Å; K289-F294 HydrophobicContact CG-CZ 4.47Å; T290-F294 VanDerWaalsContact O-CD2 3.26Å; T290-F294 WeakPolarHBondContact O-CD2 3.43Å; T290-F294 PolarHBondContact O-N 3.26Å; Q291-F294 WeakPolarHBondContact O-CB 3.44Å; Q291-F294 PolarHBondContact O-N 3.06Å; D292-F294 VanDerWaalsContact C-N 3.33Å; F294-S296 VanDerWaalsContact C-N 3.32Å; F294-S296 PolarHBondContact O-N 3.39Å; F294-V297 PolarHBondContact O-N 3.07Å; F294-A298 PolarHBondContact O-N 3.17Å
295	I	94.6	Very high	91.2	Very high	24 Å²	24	57.1 Å²	57.1	12%	0.123	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-43	175.2	-64.4	171.6	0	0	0	110.2	V91 V113 Q291 D292 V297 A298 K299	V91-I295 HydrophobicContact CG1-CD1 4.27Å; V91-I295 HydrophobicContact CG1-CG1 3.71Å; V113-I295 HydrophobicContact CG2-CD1 3.99Å; Q291-I295 HydrophobicContact CG-CD1 3.87Å; Q291-I295 HydrophobicContact CG-CG1 4.43Å; Q291-I295 WeakPolarHBondContact O-CG1 3.24Å; Q291-I295 PolarHBondContact O-N 2.84Å; D292-I295 PolarHBondContact O-N 2.85Å; I295-V297 VanDerWaalsContact C-N 3.33Å; I295-V297 PolarHBondContact O-N 2.86Å; I295-A298 PolarHBondContact O-N 2.9Å; I295-K299 WeakPolarHBondContact O-CG 3.29Å; I295-K299 PolarHBondContact O-N 3.3Å
296	S	93.9	Very high	91	Very high	54 Å²	54	55.6 Å²	55.6	38%	0.378	30%	0.3	S	S	.	.	H	α-helix	trans	-59.6	-42.5	176.4	-174.1	0	0	0	0	112.1	D292 E293 F294 K299 Q300	D292-S296 WeakPolarHBondContact O-CB 3.46Å; D292-S296 PolarHBondContact O-N 3.02Å; E293-S296 PolarHBondContact O-N 3.26Å; F294-S296 VanDerWaalsContact C-N 3.32Å; F294-S296 PolarHBondContact O-N 3.39Å; S296-K299 PolarHBondContact O-N 3.48Å; S296-Q300 VanDerWaalsContact O-CG 3.29Å; S296-Q300 WeakPolarHBondContact O-CG 3.16Å; S296-Q300 PolarHBondContact O-N 3.07Å; S296-Q300 PolarHBondContact OG-NE2 3.12Å
297	V	91.9	Very high	91	Very high	8 Å²	8	55.6 Å²	55.6	5%	0.048	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-42.9	175.5	173.7	0	0	0	0	111.4	I175 L271 T272 E293 F294 I295 K299 Q300 S301	I175-V297 HydrophobicContact CD1-CB 4.36Å; I175-V297 HydrophobicContact CD1-CG1 3.75Å; L271-V297 HydrophobicContact CB-CG1 3.99Å; L271-V297 HydrophobicContact CB-CG2 4.41Å; L271-V297 HydrophobicContact CD1-CG1 4.08Å; T272-V297 HydrophobicContact CG2-CG2 3.88Å; E293-V297 VanDerWaalsContact O-CG2 3.29Å; E293-V297 WeakPolarHBondContact O-CG2 3.31Å; E293-V297 PolarHBondContact O-N 2.65Å; F294-V297 PolarHBondContact O-N 3.07Å; I295-V297 VanDerWaalsContact C-N 3.33Å; I295-V297 PolarHBondContact O-N 2.86Å; V297-K299 VanDerWaalsContact C-N 3.27Å; V297-K299 PolarHBondContact O-N 3.2Å; V297-Q300 PolarHBondContact O-N 2.88Å; V297-Q300 VanDerWaalsContact O-N 3.14Å; V297-S301 PolarHBondContact O-N 3.16Å
298	A	89.3	Confident	91	Very high	46 Å²	46	51.1 Å²	51.1	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-35.2	177.2	0	0	0	0	0	112.4	F294 I295	F294-A298 PolarHBondContact O-N 3.17Å; I295-A298 PolarHBondContact O-N 2.9Å
299	K	89.1	Confident	91	Very high	108 Å²	108	50.1 Å²	50.1	47%	0.47	27%	0.265	S	S	.	.	H	α-helix	trans	-67.7	-35.9	173.9	-75.1	-174.8	172.6	-152.8	0	113.4	D93 E95 I295 S296 V297	D93-K299 HydrophobicContact CB-CG 4.15Å; D93-K299 WeakPolarHBondContact OD1-CE 3.31Å; D93-K299 IonicContact OD1-NZ 3.17Å; D93-K299 PolarHBondContact OD1-NZ 2.74Å; D93-K299 WeakPolarHBondContact OD2-CE 3.19Å; D93-K299 WeakPolarHBondContact OD2-CG 3.36Å; E95-K299 IonicContact OE2-NZ 2.71Å; E95-K299 PolarHBondContact OE2-NZ 2.87Å; I295-K299 WeakPolarHBondContact O-CG 3.29Å; I295-K299 PolarHBondContact O-N 3.3Å; S296-K299 PolarHBondContact O-N 3.48Å; V297-K299 VanDerWaalsContact C-N 3.27Å; V297-K299 PolarHBondContact O-N 3.2Å
300	Q	83.9	Confident	90.9	Very high	138 Å²	138	50 Å²	50	65%	0.645	27%	0.266	S	S	*	.	H	α-helix	trans	-87	-25.8	-173.1	-69.6	174.6	25.9	0	0	113.5	S296 V297	S296-Q300 VanDerWaalsContact O-CG 3.29Å; S296-Q300 WeakPolarHBondContact O-CG 3.16Å; S296-Q300 PolarHBondContact O-N 3.07Å; S296-Q300 PolarHBondContact OG-NE2 3.12Å; V297-Q300 PolarHBondContact O-N 2.88Å; V297-Q300 VanDerWaalsContact O-N 3.14Å
301	S	77.6	Confident	90.8	Very high	30 Å²	30	49.1 Å²	49.1	21%	0.21	27%	0.271	C	S	.	.			trans	-130.2	133.3	-169.8	-178	0	0	0	0	112	L271 V297 I303	L271-S301 WeakPolarHBondContact CD1-OG 3.21Å; V297-S301 PolarHBondContact O-N 3.16Å; S301-I303 PolarHBondContact O-N 3.42Å; S301-I303 WeakPolarHBondContact OG-CG2 3.33Å; S301-I303 PolarHBondContact OG-N 2.82Å
302	K	74.8	Confident	90.7	Very high	153 Å²	153	52.2 Å²	52.2	67%	0.665	29%	0.285	S	S	*	.			trans	-88.3	28.8	173.1	-61.4	-178.7	177.4	176.7	0	112.1	I304 A348	K302-I304 PolarHBondContact O-N 3.3Å; K302-A348 PolarHBondContact NZ-O 3.4Å
303	I	82.9	Confident	90.8	Very high	33 Å²	33	46.7 Å²	46.7	17%	0.169	26%	0.256	C	S	.	.			trans	-69.8	121.4	179.9	-172	170.6	0	0	0	110	Q264 I267 V268 S301 L305	Q264-I303 HydrophobicContact CB-CD1 4.28Å; I267-I303 HydrophobicContact CB-CD1 3.98Å; I267-I303 HydrophobicContact CD1-CD1 4.39Å; I267-I303 HydrophobicContact CG2-CD1 3.85Å; V268-I303 HydrophobicContact CG2-CD1 4.19Å; S301-I303 PolarHBondContact O-N 3.42Å; S301-I303 WeakPolarHBondContact OG-CG2 3.33Å; S301-I303 PolarHBondContact OG-N 2.82Å; I303-L305 HydrophobicContact CD1-CD2 3.78Å; I303-L305 HydrophobicContact CG1-CD2 3.93Å; I303-L305 HydrophobicContact CG1-CG 4.49Å
304	I	87.9	Confident	90.8	Very high	40 Å²	40	43.4 Å²	43.4	21%	0.205	24%	0.241	C	C	.	.			trans	-101.8	121.5	172.1	-64.2	174	0	0	0	107.4	Y256 K302 F349	Y256-I304 HydrophobicContact CD1-CG2 4.23Å; Y256-I304 HydrophobicContact CE1-CG2 3.55Å; K302-I304 PolarHBondContact O-N 3.3Å; I304-F349 HydrophobicContact CD1-CZ 4.36Å
305	L	91.7	Very high	90.9	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.042	26%	0.257	C	S	.	.			trans	-99.2	115.3	175.4	-60	180	0	0	0	108	I175 F178 L179 Q264 V268 I303	I175-L305 HydrophobicContact CG1-CD1 4.23Å; F178-L305 HydrophobicContact CB-CB 3.51Å; F178-L305 WeakPolarHBondContact CB-O 3.28Å; F178-L305 WeakPolarHBondContact CG-O 3.32Å; L179-L305 HydrophobicContact CB-CD1 4.5Å; Q264-L305 HydrophobicContact CB-CD2 3.54Å; Q264-L305 HydrophobicContact CG-CD2 4.08Å; V268-L305 HydrophobicContact CG2-CD1 4.31Å; I303-L305 HydrophobicContact CD1-CD2 3.78Å; I303-L305 HydrophobicContact CG1-CD2 3.93Å; I303-L305 HydrophobicContact CG1-CG 4.49Å
306	G	90.8	Very high	91	Very high	12 Å²	12	45.1 Å²	45.1	12%	0.124	26%	0.256	C	S	.	.			trans	-87.5	-171.4	178.1	0	0	0	0	0	113.5	Y256	Y256-G306 CarbonylContact O-C 3.55Å; Y256-G306 WeakPolarHBondContact O-CA 3.33Å
307	A	95.9	Very high	91.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.1	170.7	0	0	0	0	0	111.2	N189 L192 I230 Y256 T257 S258 L314	N189-A307 WeakPolarHBondContact OD1-CA 3.19Å; L192-A307 HydrophobicContact CD1-CB 3.5Å; I230-A307 HydrophobicContact CD1-CB 4.05Å; Y256-A307 WeakPolarHBondContact O-CB 3.48Å; Y256-A307 PolarHBondContact O-N 2.54Å; T257-A307 CarbonylContact C-O 3.42Å; T257-A307 WeakPolarHBondContact CA-O 3.33Å; T257-A307 HydrophobicContact CG2-CB 4.29Å; S258-A307 PolarHBondContact N-O 3.24Å; A307-L314 HydrophobicContact CB-CD2 3.98Å
308	A	96.6	Very high	91.3	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.017	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	140.2	169.9	0	0	0	0	0	110.1	S180 N189 S258 P261 D310	S180-A308 WeakPolarHBondContact OG-CB 3.35Å; N189-A308 PolarHBondContact ND2-O 3.5Å; N189-A308 PolarHBondContact OD1-N 2.94Å; S258-A308 WeakPolarHBondContact O-CA 3.33Å; P261-A308 HydrophobicContact CB-CB 4.19Å; P261-A308 HydrophobicContact CG-CB 4.24Å; A308-D310 PolarHBondContact O-N 2.84Å; A308-D310 VanDerWaalsContact O-N 3.08Å
309	V	96.4	Very high	91.6	Very high	44 Å²	44	44 Å²	44	27%	0.267	24%	0.24	S	C	.	.			trans	-72	98.8	165.7	178.1	0	0	0	0	107.9	S258 D259 L314 T317	S258-V309 PolarHBondContact O-N 3.24Å; D259-V309 HydrophobicContact CB-CB 4.43Å; D259-V309 HydrophobicContact CB-CG2 4.27Å; V309-L314 HydrophobicContact CG2-CD2 4.39Å; V309-T317 HydrophobicContact CG2-CG2 3.81Å
310	D	94.4	Very high	91.9	Very high	34 Å²	34	41.1 Å²	41.1	18%	0.182	23%	0.232	C	C	.	.			trans	-103.6	-4.4	-174.1	66	-1	0	0	0	113.4	K187 N189 A308 E312 F313 L314	K187-D310 HydrophobicContact CB-CB 4.45Å; N189-D310 PolarHBondContact ND2-OD2 2.69Å; A308-D310 PolarHBondContact O-N 2.84Å; A308-D310 VanDerWaalsContact O-N 3.08Å; D310-E312 PolarHBondContact O-N 2.9Å; D310-E312 PolarHBondContact OD1-N 2.79Å; D310-F313 PolarHBondContact OD1-N 3.45Å; D310-F313 WeakPolarHBondContact OD2-CB 3.49Å; D310-L314 PolarHBondContact N-O 3.06Å; D310-L314 PolarHBondContact OD1-N 2.85Å
311	G	94.2	Very high	92.6	Very high	54 Å²	54	34.7 Å²	34.7	56%	0.557	20%	0.202	S	C	*	.	S	Bend	trans	77.7	-5.4	179.6	0	0	0	0	0	114.8	L314	G311-L314 PolarHBondContact N-O 2.67Å
312	E	93.2	Very high	93.5	Very high	112 Å²	112	33.3 Å²	33.3	52%	0.523	19%	0.192	S	C	.	.	S	Bend	trans	-120.3	-64.5	-177.7	-73.3	176.9	-152	0	0	111.3	K187 D310	K187-E312 IonicContact NZ-OE1 3.34Å; K187-E312 PolarHBondContact NZ-OE1 2.76Å; K187-E312 IonicContact NZ-OE2 3.41Å; D310-E312 PolarHBondContact O-N 2.9Å; D310-E312 PolarHBondContact OD1-N 2.79Å
313	F	96.6	Very high	94.5	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	19%	0.188	C	C	.	.	S	Bend	trans	-74.1	-45.1	174.6	175	-91.6	0	0	0	110.4	N189 L192 L193 I230 L231 S234 L236 D310	N189-F313 HydrophobicContact CB-CD1 4.27Å; L192-F313 HydrophobicContact CB-CD1 4.49Å; L192-F313 HydrophobicContact CB-CE1 3.79Å; L192-F313 HydrophobicContact CB-CE2 4.1Å; L192-F313 HydrophobicContact CB-CZ 3.56Å; L192-F313 HydrophobicContact CD1-CD1 4.37Å; L192-F313 HydrophobicContact CD1-CE1 3.64Å; L192-F313 HydrophobicContact CD1-CZ 4.19Å; L192-F313 HydrophobicContact CG-CE1 4.23Å; L192-F313 HydrophobicContact CG-CZ 4.29Å; L193-F313 HydrophobicContact CD2-CB 4.33Å; L193-F313 HydrophobicContact CD2-CD2 3.91Å; L193-F313 HydrophobicContact CD2-CG 4.36Å; I230-F313 HydrophobicContact CG2-CE1 3.72Å; I230-F313 HydrophobicContact CG2-CZ 4.15Å; L231-F313 HydrophobicContact CD2-CE2 4.05Å; L231-F313 HydrophobicContact CD2-CZ 3.99Å; S234-F313 WeakPolarHBondContact CA-O 3.36Å; S234-F313 WeakPolarHBondContact CB-O 3.15Å; S234-F313 WeakPolarHBondContact OG-CD2 3.22Å; S234-F313 PolarHBondContact OG-O 3.04Å; L236-F313 HydrophobicContact CD1-CB 4.16Å; L236-F313 HydrophobicContact CD1-CD2 4.35Å; D310-F313 PolarHBondContact OD1-N 3.45Å; D310-F313 WeakPolarHBondContact OD2-CB 3.49Å
314	L	96.7	Very high	95.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.			trans	-128.6	105.1	179.3	-169.3	67.8	0	0	0	109.9	I230 L233 T257 A307 V309 D310 G311 G316 L321	I230-L314 HydrophobicContact CG2-CD1 4.46Å; L233-L314 HydrophobicContact CB-CD1 4.16Å; T257-L314 HydrophobicContact CG2-CD2 3.82Å; A307-L314 HydrophobicContact CB-CD2 3.98Å; V309-L314 HydrophobicContact CG2-CD2 4.39Å; D310-L314 PolarHBondContact N-O 3.06Å; D310-L314 PolarHBondContact OD1-N 2.85Å; G311-L314 PolarHBondContact N-O 2.67Å; L314-G316 VanDerWaalsContact C-N 3.31Å; L314-G316 WeakPolarHBondContact CG-O 3.46Å; L314-G316 PolarHBondContact O-N 2.95Å; L314-L321 HydrophobicContact CD1-CD1 3.68Å; L314-L321 HydrophobicContact CG-CD1 4.48Å
315	P	96.7	Very high	95.7	Very high	60 Å²	60	41.7 Å²	41.7	39%	0.39	22%	0.223	S	C	.	.	S	Bend	trans	-77.6	-11.2	-174.7	27.6	-32.5	0	0	0	114.7	L321	P315-L321 HydrophobicContact CG-CD1 4.17Å; P315-L321 HydrophobicContact CG-CD2 3.98Å
316	G	96.5	Very high	96	Very high	10 Å²	10	45.8 Å²	45.8	10%	0.103	24%	0.242	C	C	.	.	S	Bend	trans	-166.2	169	178.8	0	0	0	0	0	111.3	L314 L321	L314-G316 VanDerWaalsContact C-N 3.31Å; L314-G316 WeakPolarHBondContact CG-O 3.46Å; L314-G316 PolarHBondContact O-N 2.95Å; G316-L321 VanDerWaalsContact O-CD1 3.31Å; G316-L321 WeakPolarHBondContact O-CD1 3.38Å
317	T	96.1	Very high	96.3	Very high	28 Å²	28	46.2 Å²	46.2	17%	0.172	24%	0.242	C	C	.	.			trans	-64	154.8	175.1	58.4	0	0	0	0	110.8	D259 V309 D319 V320 L321	D259-T317 HydrophobicContact CB-CG2 4.26Å; V309-T317 HydrophobicContact CG2-CG2 3.81Å; T317-D319 VanDerWaalsContact C-N 3.29Å; T317-D319 PolarHBondContact O-N 3.16Å; T317-V320 PolarHBondContact O-N 2.78Å; T317-V320 WeakPolarHBondContact OG1-CG2 3.47Å; T317-L321 PolarHBondContact O-N 3.23Å; T317-L321 VanDerWaalsContact O-N 3.09Å
318	A	96.8	Very high	96.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.2	-43.5	-174	0	0	0	0	0	112.9	L233 A251 T252 T257 V320 L321 L322	L233-A318 HydrophobicContact CD1-CB 3.66Å; A251-A318 HydrophobicContact CB-CB 3.6Å; A251-A318 WeakPolarHBondContact O-CB 3.48Å; T252-A318 HydrophobicContact CG2-CB 4.14Å; T257-A318 HydrophobicContact CG2-CB 3.93Å; T257-A318 PolarHBondContact OG1-N 2.91Å; T257-A318 VanDerWaalsContact OG1-N 3.17Å; A318-V320 VanDerWaalsContact C-N 3.31Å; A318-V320 PolarHBondContact O-N 3.24Å; A318-L321 PolarHBondContact O-N 3.46Å; A318-L322 WeakPolarHBondContact O-CB 3.38Å; A318-L322 VanDerWaalsContact O-CG 3.32Å; A318-L322 WeakPolarHBondContact O-CG 3.35Å; A318-L322 PolarHBondContact O-N 2.83Å
319	D	94.8	Very high	96.3	Very high	57 Å²	57	52.3 Å²	52.3	31%	0.305	28%	0.275	S	S	.	.	H	α-helix	trans	-55.9	-44.8	176.7	-67.2	-59.8	0	0	0	112.1	T252 T317 Q323	T252-D319 WeakPolarHBondContact CG2-OD1 3.38Å; T317-D319 VanDerWaalsContact C-N 3.29Å; T317-D319 PolarHBondContact O-N 3.16Å; D319-Q323 VanDerWaalsContact O-CB 3.31Å; D319-Q323 WeakPolarHBondContact O-CB 3.37Å; D319-Q323 WeakPolarHBondContact O-CG 3.47Å; D319-Q323 PolarHBondContact O-N 2.87Å
320	V	96.1	Very high	96.4	Very high	48 Å²	48	51 Å²	51	29%	0.291	27%	0.267	S	S	.	.	H	α-helix	trans	-67.8	-44.8	-177.7	172.1	0	0	0	0	110.8	T317 A318 R324	T317-V320 PolarHBondContact O-N 2.78Å; T317-V320 WeakPolarHBondContact OG1-CG2 3.47Å; A318-V320 VanDerWaalsContact C-N 3.31Å; A318-V320 PolarHBondContact O-N 3.24Å; V320-R324 WeakPolarHBondContact O-CB 3.41Å; V320-R324 VanDerWaalsContact O-CG 3.29Å; V320-R324 WeakPolarHBondContact O-CG 3.49Å; V320-R324 PolarHBondContact O-N 2.98Å; V320-R324 VanDerWaalsContact O-N 3.15Å
321	L	97.7	Very high	96.6	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-45.2	-179	-62	-179.6	0	0	0	111.2	L233 L314 P315 G316 T317 A318 R324 K325 E326	L233-L321 HydrophobicContact CB-CD1 3.92Å; L233-L321 HydrophobicContact CD2-CB 4.36Å; L314-L321 HydrophobicContact CD1-CD1 3.68Å; L314-L321 HydrophobicContact CG-CD1 4.48Å; P315-L321 HydrophobicContact CG-CD1 4.17Å; P315-L321 HydrophobicContact CG-CD2 3.98Å; G316-L321 VanDerWaalsContact O-CD1 3.31Å; G316-L321 WeakPolarHBondContact O-CD1 3.38Å; T317-L321 PolarHBondContact O-N 3.23Å; T317-L321 VanDerWaalsContact O-N 3.09Å; A318-L321 PolarHBondContact O-N 3.46Å; L321-R324 CarbonylContact O-C 3.53Å; L321-R324 PolarHBondContact O-N 3.04Å; L321-K325 PolarHBondContact O-N 2.86Å; L321-K325 VanDerWaalsContact O-N 3.1Å; L321-E326 HydrophobicContact CB-CB 4.33Å; L321-E326 HydrophobicContact CD2-CB 4.25Å; L321-E326 WeakPolarHBondContact CD2-OE2 3.5Å; L321-E326 PolarHBondContact O-N 2.9Å
322	L	97.3	Very high	96.8	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-43.7	178.2	-74.1	167.2	0	0	0	112.3	L233 T252 A318 R324 K325 V327 V417 Y420	L233-L322 HydrophobicContact CD1-CG 4.45Å; L233-L322 HydrophobicContact CD2-CD2 3.76Å; L233-L322 HydrophobicContact CD2-CG 3.88Å; T252-L322 HydrophobicContact CG2-CD1 3.55Å; A318-L322 WeakPolarHBondContact O-CB 3.38Å; A318-L322 VanDerWaalsContact O-CG 3.32Å; A318-L322 WeakPolarHBondContact O-CG 3.35Å; A318-L322 PolarHBondContact O-N 2.83Å; L322-R324 PolarHBondContact O-N 2.85Å; L322-K325 PolarHBondContact O-N 3.39Å; L322-V327 HydrophobicContact CD2-CB 4.37Å; L322-V327 HydrophobicContact CD2-CG2 4.38Å; L322-V417 HydrophobicContact CD1-CG2 3.96Å; L322-Y420 HydrophobicContact CB-CD1 4.24Å; L322-Y420 HydrophobicContact CB-CD2 3.71Å; L322-Y420 HydrophobicContact CB-CE2 4.23Å; L322-Y420 HydrophobicContact CB-CG 3.72Å; L322-Y420 HydrophobicContact CD1-CD2 4.02Å; L322-Y420 HydrophobicContact CG-CD2 4.35Å
323	Q	96.4	Very high	97.1	Very high	123 Å²	123	44 Å²	44	58%	0.575	22%	0.221	S	C	*	.	H	α-helix	trans	-61	-33	175.4	-76.5	172.7	1.7	0	0	113	D319 K325 Y420	D319-Q323 VanDerWaalsContact O-CB 3.31Å; D319-Q323 WeakPolarHBondContact O-CB 3.37Å; D319-Q323 WeakPolarHBondContact O-CG 3.47Å; D319-Q323 PolarHBondContact O-N 2.87Å; Q323-K325 VanDerWaalsContact C-N 3.27Å; Q323-Y420 HydrophobicContact CB-CE1 4.48Å; Q323-Y420 HydrophobicContact CG-CE1 3.7Å; Q323-Y420 WeakPolarHBondContact CG-OH 3.39Å; Q323-Y420 PolarHBondContact NE2-OH 2.04Å
324	R	97.4	Very high	97.2	Very high	165 Å²	165	43.9 Å²	43.9	62%	0.623	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.3	175.6	-68.1	178.8	-175.3	-179	3.5	113.6	V320 L321 L322 E326	V320-R324 WeakPolarHBondContact O-CB 3.41Å; V320-R324 VanDerWaalsContact O-CG 3.29Å; V320-R324 WeakPolarHBondContact O-CG 3.49Å; V320-R324 PolarHBondContact O-N 2.98Å; V320-R324 VanDerWaalsContact O-N 3.15Å; L321-R324 CarbonylContact O-C 3.53Å; L321-R324 PolarHBondContact O-N 3.04Å; L322-R324 PolarHBondContact O-N 2.85Å; R324-E326 HydrophobicContact CB-CG 3.88Å; R324-E326 WeakPolarHBondContact CD-OE1 3.34Å; R324-E326 IonicContact NH1-OE1 3.18Å; R324-E326 PolarHBondContact O-N 2.92Å
325	K	97.4	Very high	97.3	Very high	114 Å²	114	43.9 Å²	43.9	50%	0.496	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	28	-173.6	-48.3	-178.3	179.5	-161.7	0	112.5	L321 L322 Q323 V327 D423 A424	L321-K325 PolarHBondContact O-N 2.86Å; L321-K325 VanDerWaalsContact O-N 3.1Å; L322-K325 PolarHBondContact O-N 3.39Å; Q323-K325 VanDerWaalsContact C-N 3.27Å; K325-V327 PolarHBondContact O-N 3.21Å; K325-V327 VanDerWaalsContact O-N 3.09Å; K325-D423 WeakPolarHBondContact CE-O 3.26Å; K325-D423 PolarHBondContact NZ-O 3.36Å; K325-A424 HydrophobicContact CB-CB 4.25Å
326	E	97.3	Very high	97.4	Very high	93 Å²	93	42 Å²	42	44%	0.435	21%	0.208	S	C	.	.			trans	-84.4	68.3	173.7	-67.4	177.8	-146.4	0	0	109.2	L321 R324	L321-E326 HydrophobicContact CB-CB 4.33Å; L321-E326 HydrophobicContact CD2-CB 4.25Å; L321-E326 WeakPolarHBondContact CD2-OE2 3.5Å; L321-E326 PolarHBondContact O-N 2.9Å; R324-E326 HydrophobicContact CB-CG 3.88Å; R324-E326 WeakPolarHBondContact CD-OE1 3.34Å; R324-E326 IonicContact NH1-OE1 3.18Å; R324-E326 PolarHBondContact O-N 2.92Å
327	V	97.3	Very high	97.5	Very high	21 Å²	21	41.7 Å²	41.7	13%	0.127	20%	0.204	C	C	.	.	S	Bend	trans	-137.1	146.2	-177.9	60.1	0	0	0	0	110	L233 L322 K325 N329 A424	L233-V327 HydrophobicContact CD2-CB 3.88Å; L233-V327 HydrophobicContact CD2-CG2 3.82Å; L322-V327 HydrophobicContact CD2-CB 4.37Å; L322-V327 HydrophobicContact CD2-CG2 4.38Å; K325-V327 PolarHBondContact O-N 3.21Å; K325-V327 VanDerWaalsContact O-N 3.09Å; V327-N329 PolarHBondContact O-N 3.27Å; V327-A424 HydrophobicContact CG1-CB 3.57Å
328	L	97.6	Very high	97.6	Very high	35 Å²	35	42 Å²	42	18%	0.183	20%	0.204	C	C	.	.			trans	-64.9	117.7	172.9	-65.5	-178.6	0	0	0	109.5	T232 K238 F241 V330	T232-L328 WeakPolarHBondContact O-CB 3.15Å; T232-L328 WeakPolarHBondContact O-CG 3.37Å; T232-L328 PolarHBondContact O-N 2.82Å; K238-L328 HydrophobicContact CB-CD2 4.09Å; K238-L328 HydrophobicContact CG-CD2 4.2Å; F241-L328 HydrophobicContact CE1-CD1 4.29Å; F241-L328 HydrophobicContact CZ-CD1 3.86Å; L328-V330 PolarHBondContact O-N 3.38Å
329	N	96.3	Very high	97.6	Very high	96 Å²	96	42.4 Å²	42.4	51%	0.513	21%	0.206	S	C	.	.			trans	-79	88.5	179.5	-171.5	-2.8	0	0	0	110.5	V327 A424 A426	V327-N329 PolarHBondContact O-N 3.27Å; N329-A424 PolarHBondContact ND2-O 2.92Å; N329-A426 WeakPolarHBondContact OD1-CA 3.36Å; N329-A426 WeakPolarHBondContact OD1-CB 3.37Å; N329-A426 PolarHBondContact OD1-N 3.45Å
330	V	98.4	Very high	97.8	Very high	17 Å²	17	39.9 Å²	39.9	10%	0.103	19%	0.193	C	C	.	.			trans	-127.9	154.1	173.8	-65.1	0	0	0	0	109.6	F241 H242 L328 V332 A426	F241-V330 HydrophobicContact CD2-CG2 4.41Å; F241-V330 HydrophobicContact CE2-CG2 3.97Å; H242-V330 WeakPolarHBondContact O-CB 3.42Å; L328-V330 PolarHBondContact O-N 3.38Å; V330-V332 HydrophobicContact CG2-CG1 4.35Å; V330-V332 PolarHBondContact O-N 3.44Å; V330-A426 WeakPolarHBondContact O-CB 2.94Å
331	P	98.8	Very high	97.8	Very high	30 Å²	30	37.7 Å²	37.7	20%	0.195	18%	0.179	C	C	.	.			trans	-54.1	134.6	169.3	-24.7	34.3	0	0	0	111.4	H242 K243 A244 P427 F493	H242-P331 WeakPolarHBondContact O-CD 3.49Å; K243-P331 WeakPolarHBondContact CA-O 3.39Å; K243-P331 HydrophobicContact CG-CB 4.47Å; K243-P331 HydrophobicContact CG-CG 4.48Å; A244-P331 PolarHBondContact N-O 3.32Å; P331-P427 WeakPolarHBondContact CA-O 3.47Å; P331-P427 HydrophobicContact CB-CB 4.22Å; P331-P427 HydrophobicContact CB-CG 4.39Å; P331-P427 HydrophobicContact CG-CG 4.16Å; P331-F493 HydrophobicContact CB-CE2 4.13Å; P331-F493 HydrophobicContact CB-CZ 4.08Å
332	V	98.8	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.3	177.6	-62.1	0	0	0	0	111.7	A244 F246 V330 M334 H421 P427 V428 Y429	A244-V332 HydrophobicContact CB-CG1 4.16Å; A244-V332 CarbonylContact O-C 3.58Å; A244-V332 VanDerWaalsContact O-CA 3.28Å; A244-V332 WeakPolarHBondContact O-CA 3.25Å; F246-V332 HydrophobicContact CE2-CB 4.37Å; F246-V332 HydrophobicContact CE2-CG1 4.18Å; F246-V332 HydrophobicContact CZ-CG1 4.16Å; V330-V332 HydrophobicContact CG2-CG1 4.35Å; V330-V332 PolarHBondContact O-N 3.44Å; V332-M334 HydrophobicContact CB-CE 4.04Å; V332-M334 HydrophobicContact CG2-CE 3.51Å; V332-H421 HydrophobicContact CG2-CB 3.98Å; V332-P427 PolarHBondContact N-O 3.36Å; V332-V428 HydrophobicContact CG2-CB 4.24Å; V332-V428 HydrophobicContact CG2-CG1 4.22Å; V332-V428 HydrophobicContact CG2-CG2 3.73Å; V332-V428 CarbonylContact O-C 3.53Å; V332-V428 WeakPolarHBondContact O-CA 3.48Å; V332-Y429 PolarHBondContact O-N 2.97Å
333	M	98.9	Very high	97.7	Very high	21 Å²	21	38.1 Å²	38.1	10%	0.103	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.2	164.9	178.8	-177	-69.9	0	0	107.7	A244 I245 F246 Y429 Y431 W490 F493	A244-M333 PolarHBondContact O-N 2.99Å; I245-M333 CarbonylContact C-O 3.56Å; I245-M333 VanDerWaalsContact CA-O 3.22Å; I245-M333 WeakPolarHBondContact CA-O 3.25Å; I245-M333 HydrophobicContact CG1-CB 4.29Å; I245-M333 HydrophobicContact CG2-CB 4.27Å; I245-M333 HydrophobicContact CG2-CG 4.37Å; I245-M333 HydrophobicContact CG2-SD 4.41Å; F246-M333 PolarHBondContact N-O 2.97Å; M333-Y429 CarbonylContact C-O 3.57Å; M333-Y429 WeakPolarHBondContact CA-O 3.13Å; M333-Y431 HydrophobicContact CG-CD1 4.21Å; M333-Y431 HydrophobicContact CG-CE1 4.45Å; M333-W490 HydrophobicContact SD-CD2 4.25Å; M333-W490 HydrophobicContact SD-CE3 4.35Å; M333-W490 HydrophobicContact SD-CH2 4.25Å; M333-W490 HydrophobicContact SD-CZ2 4.17Å; M333-W490 HydrophobicContact SD-CZ3 4.35Å; M333-F493 HydrophobicContact CB-CD1 4.32Å; M333-F493 HydrophobicContact CB-CD2 4.25Å; M333-F493 HydrophobicContact CB-CE1 4.06Å; M333-F493 HydrophobicContact CB-CE2 4Å; M333-F493 HydrophobicContact CB-CG 4.4Å; M333-F493 HydrophobicContact CB-CZ 3.89Å; M333-F493 HydrophobicContact CE-CB 3.73Å; M333-F493 HydrophobicContact CE-CD2 3.89Å; M333-F493 HydrophobicContact CE-CG 3.81Å
334	M	98.5	Very high	97.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	153.6	175.6	63.3	-169.6	78.2	0	0	111.5	F246 V332 T414 V417 A418 V428 Y429 M430 Y431	F246-M334 HydrophobicContact CB-CB 3.83Å; F246-M334 HydrophobicContact CD2-CB 4.03Å; F246-M334 HydrophobicContact CD2-CE 3.79Å; F246-M334 HydrophobicContact CD2-SD 4.36Å; F246-M334 HydrophobicContact CE2-CE 3.94Å; F246-M334 HydrophobicContact CG-CB 4.37Å; F246-M334 VanDerWaalsContact O-CA 3.23Å; F246-M334 WeakPolarHBondContact O-CA 3.3Å; V332-M334 HydrophobicContact CB-CE 4.04Å; V332-M334 HydrophobicContact CG2-CE 3.51Å; M334-T414 HydrophobicContact CB-CG2 4.14Å; M334-T414 HydrophobicContact CG-CG2 3.88Å; M334-T414 HydrophobicContact SD-CG2 4.1Å; M334-V417 HydrophobicContact CE-CG1 4.42Å; M334-V417 HydrophobicContact SD-CG1 4.36Å; M334-A418 HydrophobicContact CE-CB 4.39Å; M334-A418 HydrophobicContact CG-CB 4.44Å; M334-A418 HydrophobicContact SD-CB 3.62Å; M334-V428 HydrophobicContact CE-CG1 4.29Å; M334-Y429 PolarHBondContact N-O 3.35Å; M334-M430 HydrophobicContact CG-CG 4.31Å; M334-M430 WeakPolarHBondContact O-CA 3.29Å; M334-Y431 PolarHBondContact O-N 3.2Å; M334-Y431 VanDerWaalsContact O-N 3.09Å
335	G	98.2	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	175.6	179.9	0	0	0	0	0	112.8	F246 S248 Y431	F246-G335 PolarHBondContact O-N 3.19Å; F246-G335 VanDerWaalsContact O-N 3.07Å; S248-G335 PolarHBondContact N-O 3.37Å; G335-Y431 VanDerWaalsContact CA-CE1 3.49Å; G335-Y431 WeakPolarHBondContact CA-O 3.46Å
336	V	98.7	Very high	97.2	Very high	19 Å²	19	21.6 Å²	21.6	12%	0.115	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	162.7	179.6	-66.2	0	0	0	0	109.4	E340 M410 A411 T414 Y431 E432 F433	V336-E340 WeakPolarHBondContact CA-OE1 3.44Å; V336-E340 HydrophobicContact CB-CG 4.14Å; V336-E340 WeakPolarHBondContact CB-OE1 3.26Å; V336-M410 HydrophobicContact CG1-CB 4.01Å; V336-A411 HydrophobicContact CG2-CB 4.45Å; V336-T414 HydrophobicContact CG1-CG2 4.34Å; V336-Y431 PolarHBondContact N-O 2.6Å; V336-E432 CarbonylContact O-C 3.59Å; V336-E432 WeakPolarHBondContact O-CA 3.33Å; V336-F433 PolarHBondContact O-N 2.59Å
337	T	98.6	Very high	96.8	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.031	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	157.6	165.7	70.7	0	0	0	0	110.2	H339 E340 F433 A450 D451	T337-H339 PolarHBondContact O-N 3.39Å; T337-E340 PolarHBondContact N-OE1 3.02Å; T337-E340 WeakPolarHBondContact O-CG 3.43Å; T337-E340 PolarHBondContact OG1-N 3.16Å; T337-F433 CarbonylContact C-O 3.52Å; T337-F433 WeakPolarHBondContact CA-O 3.32Å; T337-F433 HydrophobicContact CG2-CB 4.18Å; T337-F433 HydrophobicContact CG2-CD1 4.18Å; T337-A450 WeakPolarHBondContact CB-O 3.48Å; T337-A450 PolarHBondContact OG1-O 3.04Å; T337-D451 VanDerWaalsContact CG2-O 3.29Å; T337-D451 WeakPolarHBondContact CG2-O 3.33Å; T337-D451 PolarHBondContact OG1-O 3.04Å
338	N	97.9	Very high	96.3	Very high	33 Å²	33	23.1 Å²	23.1	18%	0.176	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	6.6	-178	73.3	-9.4	0	0	0	114.5	E432 F433 V434 K449 A450	N338-E432 HydrophobicContact CB-CG 4.16Å; N338-E432 WeakPolarHBondContact CB-OE1 3.14Å; N338-F433 PolarHBondContact N-O 2.71Å; N338-V434 HydrophobicContact CB-CG1 4.01Å; N338-K449 WeakPolarHBondContact OD1-CB 3.49Å; N338-A450 WeakPolarHBondContact OD1-CB 3.3Å; N338-A450 PolarHBondContact OD1-N 3.39Å; N338-A450 PolarHBondContact OD1-O 2.79Å
339	H	98	Very high	95.9	Very high	9 Å²	9	24.3 Å²	24.3	4%	0.042	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-154.1	51.2	176.2	-154.3	166.9	0	0	0	110.7	T337 F341 G342 T402 K449 A450 D451	T337-H339 PolarHBondContact O-N 3.39Å; H339-F341 PolarHBondContact O-N 3.28Å; H339-G342 WeakPolarHBondContact CD2-CA 3.01Å; H339-G342 VanDerWaalsContact NE2-CA 3.3Å; H339-G342 WeakPolarHBondContact NE2-CA 3.06Å; H339-G342 WeakPolarHBondContact O-CA 3.43Å; H339-G342 PolarHBondContact O-N 2.85Å; H339-T402 VanDerWaalsContact NE2-CB 3.32Å; H339-T402 WeakPolarHBondContact NE2-CB 3.31Å; H339-T402 PolarHBondContact NE2-OG1 2.93Å; H339-K449 HydrophobicContact CB-CB 3.85Å; H339-K449 HydrophobicContact CB-CD 4.39Å; H339-K449 HydrophobicContact CB-CG 4.4Å; H339-K449 PolarHBondContact ND1-N 2.68Å; H339-A450 CarbonylContact C-O 3.57Å; H339-A450 WeakPolarHBondContact CA-O 3.49Å; H339-A450 VanDerWaalsContact CB-O 3.3Å; H339-A450 WeakPolarHBondContact CB-O 3.33Å; H339-A450 PolarHBondContact N-O 3.4Å; H339-D451 WeakPolarHBondContact O-CA 3.41Å; H339-D451 VanDerWaalsContact O-OD1 3.1Å
340	E	97.9	Very high	95.6	Very high	5 Å²	5	20.6 Å²	20.6	2%	0.023	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-37.4	-178.9	-72	-73.7	-174.4	0	0	114.4	S248 V336 T337 L345 M410 H452	S248-E340 WeakPolarHBondContact CB-OE1 3.23Å; S248-E340 PolarHBondContact OG-OE1 3.25Å; S248-E340 PolarHBondContact OG-OE2 3.27Å; V336-E340 WeakPolarHBondContact CA-OE1 3.44Å; V336-E340 HydrophobicContact CB-CG 4.14Å; V336-E340 WeakPolarHBondContact CB-OE1 3.26Å; T337-E340 PolarHBondContact N-OE1 3.02Å; T337-E340 WeakPolarHBondContact O-CG 3.43Å; T337-E340 PolarHBondContact OG1-N 3.16Å; E340-L345 WeakPolarHBondContact O-CD1 3.39Å; E340-M410 HydrophobicContact CB-CB 4.1Å; E340-M410 HydrophobicContact CB-CG 3.86Å; E340-M410 HydrophobicContact CG-CB 3.66Å; E340-M410 HydrophobicContact CG-CG 3.8Å; E340-H452 WeakPolarHBondContact O-CB 3.47Å; E340-H452 IonicContact OE2-CE1 3.21Å; E340-H452 IonicContact OE2-CG 2.63Å; E340-H452 IonicContact OE2-ND1 3.6Å; E340-H452 PolarHBondContact OE2-ND1 3.09Å
341	F	97.4	Very high	95.4	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	33.5	179.7	-150.3	-102.6	0	0	0	111.6	H339 L345 P346 F349 F370 F401 T402 I405 L409	H339-F341 PolarHBondContact O-N 3.28Å; F341-L345 HydrophobicContact CD2-CB 3.44Å; F341-L345 VanDerWaalsContact CD2-CB 3.44Å; F341-L345 HydrophobicContact CD2-CD1 4.06Å; F341-L345 HydrophobicContact CD2-CG 4.41Å; F341-L345 HydrophobicContact CE2-CB 3.62Å; F341-L345 HydrophobicContact CG-CB 4.35Å; F341-P346 HydrophobicContact CD1-CB 4.44Å; F341-P346 HydrophobicContact CD1-CG 3.57Å; F341-P346 HydrophobicContact CE1-CB 4.13Å; F341-P346 HydrophobicContact CE1-CG 3.72Å; F341-P346 HydrophobicContact CG-CG 4.03Å; F341-P346 HydrophobicContact CZ-CG 4.33Å; F341-P346 WeakPolarHBondContact O-CG 3.18Å; F341-F349 HydrophobicContact CE2-CB 4.12Å; F341-F349 HydrophobicContact CE2-CD2 4.15Å; F341-F349 HydrophobicContact CZ-CB 3.72Å; F341-F370 HydrophobicContact CE2-CE2 4.38Å; F341-F370 HydrophobicContact CE2-CZ 4.33Å; F341-F370 HydrophobicContact CZ-CE2 4.28Å; F341-F401 HydrophobicContact CD1-CE1 4.31Å; F341-F401 HydrophobicContact CD1-CZ 4.29Å; F341-F401 AromaticContact CE1-CE1 3.92Å; F341-F401 HydrophobicContact CE1-CE1 3.92Å; F341-F401 HydrophobicContact CE1-CE2 4.24Å; F341-F401 AromaticContact CE1-CZ 3.57Å; F341-F401 HydrophobicContact CE1-CZ 3.57Å; F341-T402 WeakPolarHBondContact CB-O 3.47Å; F341-T402 WeakPolarHBondContact O-CB 3.46Å; F341-T402 WeakPolarHBondContact O-CG2 3.46Å; F341-I405 HydrophobicContact CB-CB 4.29Å; F341-I405 HydrophobicContact CB-CG2 4.31Å; F341-I405 HydrophobicContact CD1-CB 3.66Å; F341-I405 HydrophobicContact CD1-CG1 4.34Å; F341-I405 HydrophobicContact CD1-CG2 3.66Å; F341-I405 HydrophobicContact CD2-CB 4.32Å; F341-I405 HydrophobicContact CD2-CG2 3.51Å; F341-I405 HydrophobicContact CE1-CB 3.98Å; F341-I405 HydrophobicContact CE1-CG1 4.28Å; F341-I405 HydrophobicContact CE1-CG2 3.7Å; F341-I405 HydrophobicContact CE2-CG2 3.53Å; F341-I405 HydrophobicContact CG-CB 3.85Å; F341-I405 HydrophobicContact CG-CG2 3.56Å; F341-I405 HydrophobicContact CZ-CB 4.4Å; F341-I405 HydrophobicContact CZ-CG2 3.61Å; F341-L409 HydrophobicContact CD2-CD2 4.16Å; F341-L409 HydrophobicContact CE2-CD2 4.34Å
342	G	96.6	Very high	95.1	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-84.4	-36.9	-170.8	0	0	0	0	0	114.6	H339 W354 D451	H339-G342 WeakPolarHBondContact CD2-CA 3.01Å; H339-G342 VanDerWaalsContact NE2-CA 3.3Å; H339-G342 WeakPolarHBondContact NE2-CA 3.06Å; H339-G342 WeakPolarHBondContact O-CA 3.43Å; H339-G342 PolarHBondContact O-N 2.85Å; G342-W354 WeakPolarHBondContact O-CH2 3.26Å; G342-D451 WeakPolarHBondContact CA-OD1 3.38Å; G342-D451 PolarHBondContact N-OD1 2.85Å; G342-D451 VanDerWaalsContact N-OD1 3.16Å
343	W	94.9	Very high	94.9	Very high	13 Å²	13	28.3 Å²	28.3	5%	0.049	17%	0.17	C	C	.	.	S	Bend	trans	-148.2	-57.2	-179.3	174.8	58.5	0	0	0	115.3	A103 M104 P346 Q347 N443 R444 V448 D451	A103-W343 HydrophobicContact CB-CH2 3.84Å; A103-W343 HydrophobicContact CB-CZ2 4.32Å; M104-W343 HydrophobicContact SD-CZ3 4.15Å; W343-P346 WeakPolarHBondContact O-CD 3.49Å; W343-Q347 WeakPolarHBondContact O-CG 3.4Å; W343-Q347 PolarHBondContact O-N 3.08Å; W343-Q347 PolarHBondContact O-NE2 2.9Å; W343-N443 PolarHBondContact NE1-O 2.83Å; W343-N443 VanDerWaalsContact NE1-O 3.09Å; W343-R444 HydrophobicContact CD2-CB 4.06Å; W343-R444 HydrophobicContact CD2-CG 3.91Å; W343-R444 HydrophobicContact CE3-CB 4.15Å; W343-R444 HydrophobicContact CE3-CG 3.89Å; W343-R444 HydrophobicContact CG-CG 4.26Å; W343-R444 HydrophobicContact CH2-CB 4.1Å; W343-R444 HydrophobicContact CZ2-CB 4.01Å; W343-R444 HydrophobicContact CZ3-CB 4.18Å; W343-R444 HydrophobicContact CZ3-CG 4.32Å; W343-V448 HydrophobicContact CB-CB 4.49Å; W343-V448 HydrophobicContact CB-CG1 3.89Å; W343-V448 HydrophobicContact CB-CG2 3.76Å; W343-V448 HydrophobicContact CG-CG2 4.45Å; W343-D451 WeakPolarHBondContact CB-OD2 3.42Å; W343-D451 PolarHBondContact N-OD1 2.72Å; W343-D451 PolarHBondContact N-OD2 3.42Å
344	I	93	Very high	94.7	Very high	35 Å²	35	27.6 Å²	27.6	18%	0.179	17%	0.166	C	C	.	.	H	α-helix	trans	-66.8	-51.5	-173.3	-71.1	161.6	0	0	0	111.4	F100 M104 Q347 D451	F100-I344 HydrophobicContact CE2-CD1 4.05Å; F100-I344 HydrophobicContact CE2-CG2 4.34Å; M104-I344 HydrophobicContact SD-CD1 3.99Å; I344-Q347 WeakPolarHBondContact O-CB 3.31Å; I344-Q347 PolarHBondContact O-N 3.09Å; I344-D451 WeakPolarHBondContact CB-OD2 3.22Å; I344-D451 VanDerWaalsContact CG1-OD2 3.3Å; I344-D451 WeakPolarHBondContact CG1-OD2 3.49Å; I344-D451 PolarHBondContact N-OD2 2.89Å
345	L	93.8	Very high	94.6	Very high	21 Å²	21	30.5 Å²	30.5	11%	0.11	18%	0.179	C	C	.	.	H	α-helix	trans	-65	-42.1	-178.1	-63.8	-175.3	0	0	0	113.4	E340 F341 Q347 A348 F349 L409 M410 H452	E340-L345 WeakPolarHBondContact O-CD1 3.39Å; F341-L345 HydrophobicContact CD2-CB 3.44Å; F341-L345 VanDerWaalsContact CD2-CB 3.44Å; F341-L345 HydrophobicContact CD2-CD1 4.06Å; F341-L345 HydrophobicContact CD2-CG 4.41Å; F341-L345 HydrophobicContact CE2-CB 3.62Å; F341-L345 HydrophobicContact CG-CB 4.35Å; L345-Q347 PolarHBondContact O-N 3.43Å; L345-A348 PolarHBondContact O-N 3.5Å; L345-F349 WeakPolarHBondContact O-CD2 3.3Å; L345-F349 PolarHBondContact O-N 3.18Å; L345-F349 VanDerWaalsContact O-N 3.13Å; L345-L409 HydrophobicContact CD1-CD2 3.84Å; L345-M410 HydrophobicContact CD1-CE 3.9Å; L345-H452 HydrophobicContact CD1-CB 4.21Å; L345-H452 HydrophobicContact CG-CB 4.02Å
346	P	93.8	Very high	94.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-55.8	-28	171.4	-28.2	31.7	0	0	0	115.3	F341 W343 A348 F349 G350 W354	F341-P346 HydrophobicContact CD1-CB 4.44Å; F341-P346 HydrophobicContact CD1-CG 3.57Å; F341-P346 HydrophobicContact CE1-CB 4.13Å; F341-P346 HydrophobicContact CE1-CG 3.72Å; F341-P346 HydrophobicContact CG-CG 4.03Å; F341-P346 HydrophobicContact CZ-CG 4.33Å; F341-P346 WeakPolarHBondContact O-CG 3.18Å; W343-P346 WeakPolarHBondContact O-CD 3.49Å; P346-A348 PolarHBondContact O-N 2.85Å; P346-F349 PolarHBondContact O-N 3.28Å; P346-G350 VanDerWaalsContact O-CA 3.3Å; P346-G350 WeakPolarHBondContact O-CA 3.25Å; P346-G350 PolarHBondContact O-N 2.76Å; P346-W354 HydrophobicContact CB-CD2 3.75Å; P346-W354 HydrophobicContact CB-CE3 4.18Å; P346-W354 HydrophobicContact CB-CG 4.4Å; P346-W354 HydrophobicContact CB-CH2 3.89Å; P346-W354 HydrophobicContact CB-CZ2 3.37Å; P346-W354 HydrophobicContact CB-CZ3 4.24Å; P346-W354 HydrophobicContact CG-CH2 4Å; P346-W354 HydrophobicContact CG-CZ2 3.95Å; P346-W354 HydrophobicContact CG-CZ3 4.3Å
347	Q	89.8	Confident	94.3	Very high	110 Å²	110	38 Å²	38	51%	0.514	22%	0.216	S	C	.	.	H	α-helix	trans	-60.6	-31.6	174.6	-58	-48.8	-44.4	0	0	111.8	W343 I344 L345	W343-Q347 WeakPolarHBondContact O-CG 3.4Å; W343-Q347 PolarHBondContact O-N 3.08Å; W343-Q347 PolarHBondContact O-NE2 2.9Å; I344-Q347 WeakPolarHBondContact O-CB 3.31Å; I344-Q347 PolarHBondContact O-N 3.09Å; L345-Q347 PolarHBondContact O-N 3.43Å
348	A	86.3	Confident	94.3	Very high	36 Å²	36	38.4 Å²	38.4	30%	0.298	22%	0.217	S	C	.	.	H	α-helix	trans	-87.6	-33.7	178.7	0	0	0	0	0	112.8	K302 L345 P346	K302-A348 PolarHBondContact NZ-O 3.4Å; L345-A348 PolarHBondContact O-N 3.5Å; P346-A348 PolarHBondContact O-N 2.85Å
349	F	88.7	Confident	94.3	Very high	59 Å²	59	40.8 Å²	40.8	26%	0.259	23%	0.23	S	C	.	.	H	α-helix	trans	-122.9	-16.1	-165.4	-61.9	-67.1	0	0	0	114.9	I304 F341 L345 P346 M369 F370	I304-F349 HydrophobicContact CD1-CZ 4.36Å; F341-F349 HydrophobicContact CE2-CB 4.12Å; F341-F349 HydrophobicContact CE2-CD2 4.15Å; F341-F349 HydrophobicContact CZ-CB 3.72Å; L345-F349 WeakPolarHBondContact O-CD2 3.3Å; L345-F349 PolarHBondContact O-N 3.18Å; L345-F349 VanDerWaalsContact O-N 3.13Å; P346-F349 PolarHBondContact O-N 3.28Å; F349-M369 HydrophobicContact CB-CE 4.03Å; F349-M369 HydrophobicContact CD1-CE 3.85Å; F349-M369 HydrophobicContact CG-CE 4.3Å; F349-F370 HydrophobicContact CB-CE2 4.2Å; F349-F370 HydrophobicContact CB-CZ 3.93Å; F349-F370 AromaticContact CD1-CZ 3.97Å; F349-F370 HydrophobicContact CD1-CZ 3.97Å; F349-F370 HydrophobicContact CD2-CZ 4.11Å; F349-F370 HydrophobicContact CG-CE2 4.49Å; F349-F370 AromaticContact CG-CZ 3.74Å; F349-F370 HydrophobicContact CG-CZ 3.74Å
350	G	91.2	Very high	94.3	Very high	18 Å²	18	43.6 Å²	43.6	19%	0.186	24%	0.24	C	C	.	.	S	Bend	trans	-78.9	153.2	175.9	0	0	0	0	0	112.3	P346	P346-G350 VanDerWaalsContact O-CA 3.3Å; P346-G350 WeakPolarHBondContact O-CA 3.25Å; P346-G350 PolarHBondContact O-N 2.76Å
351	P	93.4	Very high	94.2	Very high	42 Å²	42	49.2 Å²	49.2	27%	0.273	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-66.4	155	171.9	29.6	-34.9	0	0	0	111	G353 W354 M358	P351-G353 PolarHBondContact O-N 2.8Å; P351-W354 HydrophobicContact CG-CB 4.22Å; P351-W354 WeakPolarHBondContact O-CB 3.42Å; P351-W354 PolarHBondContact O-N 3.35Å; P351-W354 VanDerWaalsContact O-N 3.15Å; P351-M358 HydrophobicContact CG-CE 3.81Å; P351-M358 HydrophobicContact CG-SD 3.55Å; P351-M358 VanDerWaalsContact CG-SD 3.55Å
352	P	93.1	Very high	94.1	Very high	140 Å²	140	50.2 Å²	50.2	91%	0.909	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	129.9	175.8	-25.4	34.5	0	0	0	112.2
353	G	93.7	Very high	94.2	Very high	28 Å²	28	50.2 Å²	50.2	29%	0.289	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	9	179.5	0	0	0	0	0	115.1	P351 E355 K356	P351-G353 PolarHBondContact O-N 2.8Å; G353-E355 WeakPolarHBondContact CA-OE2 3.5Å; G353-E355 PolarHBondContact O-N 2.91Å; G353-K356 WeakPolarHBondContact O-CB 3.49Å; G353-K356 PolarHBondContact O-N 3.09Å
354	W	95.6	Very high	94.2	Very high	6 Å²	6	51 Å²	51	2%	0.023	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-49.7	-32.9	178.2	70.2	-91.4	0	0	0	112.6	G342 P346 P351 K356 G357 M358 R398 F401 T402 F447	G342-W354 WeakPolarHBondContact O-CH2 3.26Å; P346-W354 HydrophobicContact CB-CD2 3.75Å; P346-W354 HydrophobicContact CB-CE3 4.18Å; P346-W354 HydrophobicContact CB-CG 4.4Å; P346-W354 HydrophobicContact CB-CH2 3.89Å; P346-W354 HydrophobicContact CB-CZ2 3.37Å; P346-W354 HydrophobicContact CB-CZ3 4.24Å; P346-W354 HydrophobicContact CG-CH2 4Å; P346-W354 HydrophobicContact CG-CZ2 3.95Å; P346-W354 HydrophobicContact CG-CZ3 4.3Å; P351-W354 HydrophobicContact CG-CB 4.22Å; P351-W354 WeakPolarHBondContact O-CB 3.42Å; P351-W354 PolarHBondContact O-N 3.35Å; P351-W354 VanDerWaalsContact O-N 3.15Å; W354-K356 PolarHBondContact O-N 2.72Å; W354-G357 PolarHBondContact O-N 2.95Å; W354-M358 HydrophobicContact CB-CG 4.39Å; W354-M358 HydrophobicContact CB-SD 3.82Å; W354-R398 HydrophobicContact CE3-CG 4.05Å; W354-R398 HydrophobicContact CZ3-CG 4.22Å; W354-R398 WeakPolarHBondContact O-CG 3.39Å; W354-F401 HydrophobicContact CB-CE1 4.45Å; W354-F401 HydrophobicContact CE3-CE1 4.26Å; W354-T402 HydrophobicContact CE3-CG2 4.43Å; W354-T402 HydrophobicContact CZ3-CG2 3.89Å; W354-F447 HydrophobicContact CH2-CE2 4.05Å; W354-F447 AromaticContact CH2-CZ 3.8Å; W354-F447 HydrophobicContact CH2-CZ 3.8Å; W354-F447 AromaticContact CZ3-CE2 3.9Å; W354-F447 HydrophobicContact CZ3-CE2 3.9Å; W354-F447 AromaticContact CZ3-CZ 3.7Å; W354-F447 HydrophobicContact CZ3-CZ 3.7Å
355	E	95.1	Very high	94.3	Very high	61 Å²	61	52.2 Å²	52.2	29%	0.285	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-65.4	-22.5	-177.5	73.5	-72.1	169.9	0	0	113.4	G353 R398 P445 F447	G353-E355 WeakPolarHBondContact CA-OE2 3.5Å; G353-E355 PolarHBondContact O-N 2.91Å; E355-R398 VanDerWaalsContact O-CD 3.31Å; E355-R398 WeakPolarHBondContact O-CD 3.32Å; E355-R398 PolarHBondContact O-NH1 3.23Å; E355-R398 VanDerWaalsContact O-NH1 3.07Å; E355-P445 HydrophobicContact CB-CG 4.49Å; E355-F447 HydrophobicContact CB-CE1 4.47Å; E355-F447 HydrophobicContact CB-CZ 4.32Å
356	K	95.6	Very high	94.3	Very high	159 Å²	159	51.8 Å²	51.8	69%	0.691	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-89.9	-4.1	-178.9	-59.6	177.9	-174.1	170.3	0	113.3	G353 W354	G353-K356 WeakPolarHBondContact O-CB 3.49Å; G353-K356 PolarHBondContact O-N 3.09Å; W354-K356 PolarHBondContact O-N 2.72Å
357	G	96.8	Very high	94.4	Very high	18 Å²	18	51.8 Å²	51.8	19%	0.186	29%	0.293	C	S	.	.			trans	129.5	154.2	-175.9	0	0	0	0	0	112.1	W354 P394	W354-G357 PolarHBondContact O-N 2.95Å; G357-P394 CarbonylContact C-O 3.54Å; G357-P394 WeakPolarHBondContact CA-O 3.26Å
358	M	97.8	Very high	94.5	Very high	13 Å²	13	49.7 Å²	49.7	6%	0.064	28%	0.283	C	S	.	.			trans	-127	167.9	-176.5	-75.3	-75.3	-77.4	0	0	110.9	P351 W354 A362 V363 P394 I397 R398 F401	P351-M358 HydrophobicContact CG-CE 3.81Å; P351-M358 HydrophobicContact CG-SD 3.55Å; P351-M358 VanDerWaalsContact CG-SD 3.55Å; W354-M358 HydrophobicContact CB-CG 4.39Å; W354-M358 HydrophobicContact CB-SD 3.82Å; M358-A362 HydrophobicContact CE-CB 3.6Å; M358-A362 HydrophobicContact SD-CB 4.18Å; M358-V363 HydrophobicContact CB-CG2 4.31Å; M358-V363 HydrophobicContact CE-CG2 4.12Å; M358-P394 PolarHBondContact N-O 3.29Å; M358-P394 WeakPolarHBondContact O-CA 3.36Å; M358-I397 HydrophobicContact CB-CB 4.36Å; M358-I397 HydrophobicContact CB-CG2 3.75Å; M358-R398 HydrophobicContact CB-CB 4.4Å; M358-R398 HydrophobicContact CG-CB 4.17Å; M358-F401 HydrophobicContact CE-CD1 4.1Å; M358-F401 HydrophobicContact CE-CD2 3.82Å; M358-F401 HydrophobicContact CE-CE1 4.18Å; M358-F401 HydrophobicContact CE-CE2 3.9Å; M358-F401 HydrophobicContact CE-CG 3.89Å; M358-F401 HydrophobicContact CE-CZ 4.06Å; M358-F401 HydrophobicContact CG-CB 4.48Å; M358-F401 HydrophobicContact CG-CD1 4.2Å; M358-F401 HydrophobicContact CG-CG 4.38Å
359	N	97.7	Very high	94.6	Very high	83 Å²	83	52.7 Å²	52.7	44%	0.444	29%	0.292	S	S	.	.			trans	-122.4	160.1	166.9	62.1	59	0	0	0	109.8	E361 A362 V363	N359-E361 VanDerWaalsContact C-N 3.26Å; N359-E361 PolarHBondContact O-N 3.22Å; N359-E361 PolarHBondContact OD1-N 3.14Å; N359-A362 PolarHBondContact O-N 3.31Å; N359-A362 VanDerWaalsContact O-N 3.14Å; N359-A362 WeakPolarHBondContact OD1-CB 3.36Å; N359-A362 PolarHBondContact OD1-N 3.42Å; N359-V363 WeakPolarHBondContact O-CG2 3.38Å; N359-V363 PolarHBondContact O-N 2.9Å; N359-V363 VanDerWaalsContact O-N 3.09Å
360	R	97.3	Very high	94.6	Very high	68 Å²	68	52.3 Å²	52.3	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-55.1	-41.1	-175.9	179.7	178.1	-179.2	-70.1	-2	112.5	A362 V363 L364 S381 V384 D385 L388	R360-A362 PolarHBondContact O-N 3.2Å; R360-V363 PolarHBondContact O-N 3.18Å; R360-L364 WeakPolarHBondContact O-CB 3.34Å; R360-L364 PolarHBondContact O-N 3.39Å; R360-S381 PolarHBondContact NH2-OG 3.37Å; R360-V384 HydrophobicContact CG-CG1 3.84Å; R360-D385 IonicContact CZ-OD1 2.72Å; R360-D385 IonicContact NE-OD1 3.76Å; R360-D385 PolarHBondContact NE-OD1 2.88Å; R360-D385 VanDerWaalsContact NH2-CG 3.26Å; R360-D385 IonicContact NH2-OD1 3.89Å; R360-D385 PolarHBondContact NH2-OD1 3.47Å; R360-D385 IonicContact NH2-OD2 2.77Å; R360-D385 PolarHBondContact NH2-OD2 2.86Å; R360-D385 VanDerWaalsContact NH2-OD2 3.12Å; R360-L388 HydrophobicContact CB-CD1 3.83Å; R360-L388 HydrophobicContact CG-CD1 3.79Å
361	E	96.4	Very high	94.5	Very high	122 Å²	122	53.3 Å²	53.3	57%	0.57	29%	0.292	S	S	*	.	H	α-helix	trans	-65.4	-39.7	-178.3	-66.8	65.1	-141.6	0	0	111.5	N359 L364 A365	N359-E361 VanDerWaalsContact C-N 3.26Å; N359-E361 PolarHBondContact O-N 3.22Å; N359-E361 PolarHBondContact OD1-N 3.14Å; E361-L364 PolarHBondContact O-N 3.2Å; E361-A365 WeakPolarHBondContact O-CB 3.41Å; E361-A365 PolarHBondContact O-N 2.94Å
362	A	96.3	Very high	94.2	Very high	22 Å²	22	55.2 Å²	55.2	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-42.1	175.1	0	0	0	0	0	111.6	M358 N359 R360 A365 V366	M358-A362 HydrophobicContact CE-CB 3.6Å; M358-A362 HydrophobicContact SD-CB 4.18Å; N359-A362 PolarHBondContact O-N 3.31Å; N359-A362 VanDerWaalsContact O-N 3.14Å; N359-A362 WeakPolarHBondContact OD1-CB 3.36Å; N359-A362 PolarHBondContact OD1-N 3.42Å; R360-A362 PolarHBondContact O-N 3.2Å; A362-A365 PolarHBondContact O-N 2.88Å; A362-V366 WeakPolarHBondContact O-CG2 3.41Å; A362-V366 PolarHBondContact O-N 3.16Å
363	V	97.4	Very high	93.7	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-59.1	-50.3	173.4	-178.8	0	0	0	0	110.2	M358 N359 R360 A365 V366 V367 V384 I397 F401 V404	M358-V363 HydrophobicContact CB-CG2 4.31Å; M358-V363 HydrophobicContact CE-CG2 4.12Å; N359-V363 WeakPolarHBondContact O-CG2 3.38Å; N359-V363 PolarHBondContact O-N 2.9Å; N359-V363 VanDerWaalsContact O-N 3.09Å; R360-V363 PolarHBondContact O-N 3.18Å; V363-A365 VanDerWaalsContact C-N 3.31Å; V363-A365 PolarHBondContact O-N 3.48Å; V363-V366 PolarHBondContact O-N 3.08Å; V363-V366 VanDerWaalsContact O-N 3.14Å; V363-V367 HydrophobicContact CG1-CG2 4.22Å; V363-V367 WeakPolarHBondContact O-CG2 3.24Å; V363-V367 PolarHBondContact O-N 3.16Å; V363-V384 HydrophobicContact CB-CG1 4.48Å; V363-V384 HydrophobicContact CG1-CG1 4.23Å; V363-V384 HydrophobicContact CG1-CG2 4.07Å; V363-I397 HydrophobicContact CG2-CG2 3.71Å; V363-F401 HydrophobicContact CB-CD2 4.43Å; V363-F401 HydrophobicContact CG1-CB 4.39Å; V363-F401 HydrophobicContact CG1-CD2 4.21Å; V363-F401 HydrophobicContact CG2-CB 3.76Å; V363-F401 HydrophobicContact CG2-CD2 4.17Å; V363-F401 HydrophobicContact CG2-CG 4.31Å; V363-V404 HydrophobicContact CG1-CG1 4.01Å
364	L	96.3	Very high	93.1	Very high	30 Å²	30	55.7 Å²	55.7	16%	0.157	29%	0.285	C	S	.	.	H	α-helix	trans	-60.1	-39.6	-178.9	-178.3	60.7	0	0	0	112.5	R360 E361 V366 V367 H368 N380 V384	R360-L364 WeakPolarHBondContact O-CB 3.34Å; R360-L364 PolarHBondContact O-N 3.39Å; E361-L364 PolarHBondContact O-N 3.2Å; L364-V366 VanDerWaalsContact C-N 3.34Å; L364-V366 PolarHBondContact O-N 3.3Å; L364-V367 PolarHBondContact O-N 2.95Å; L364-H368 WeakPolarHBondContact CG-NE2 3.46Å; L364-H368 PolarHBondContact O-CD2 2.85Å; L364-H368 VanDerWaalsContact O-CG 3.28Å; L364-H368 PolarHBondContact O-N 3.03Å; L364-N380 HydrophobicContact CD1-CB 3.9Å; L364-V384 HydrophobicContact CB-CG2 4.29Å; L364-V384 HydrophobicContact CD1-CG2 3.97Å
365	A	94.5	Very high	92.3	Very high	59 Å²	59	57.4 Å²	57.4	49%	0.488	30%	0.3	S	S	.	.	H	α-helix	trans	-60.3	-42.3	176.3	0	0	0	0	0	112.3	E361 A362 V363 H368 M369	E361-A365 WeakPolarHBondContact O-CB 3.41Å; E361-A365 PolarHBondContact O-N 2.94Å; A362-A365 PolarHBondContact O-N 2.88Å; V363-A365 VanDerWaalsContact C-N 3.31Å; V363-A365 PolarHBondContact O-N 3.48Å; A365-H368 PolarHBondContact O-N 2.76Å; A365-M369 PolarHBondContact O-N 2.98Å
366	V	94.2	Very high	91.5	Very high	13 Å²	13	60.7 Å²	60.7	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-73	-38	177.7	-177.2	0	0	0	0	111.1	A362 V363 L364 H368 M369 F370 F401 I405	A362-V366 WeakPolarHBondContact O-CG2 3.41Å; A362-V366 PolarHBondContact O-N 3.16Å; V363-V366 PolarHBondContact O-N 3.08Å; V363-V366 VanDerWaalsContact O-N 3.14Å; L364-V366 VanDerWaalsContact C-N 3.34Å; L364-V366 PolarHBondContact O-N 3.3Å; V366-H368 VanDerWaalsContact C-N 3.28Å; V366-H368 PolarHBondContact O-N 3.17Å; V366-M369 HydrophobicContact CG1-CE 4.26Å; V366-M369 VanDerWaalsContact O-CB 3.31Å; V366-M369 WeakPolarHBondContact O-CB 2.99Å; V366-M369 PolarHBondContact O-N 3.47Å; V366-F370 HydrophobicContact CG1-CD2 3.75Å; V366-F370 HydrophobicContact CG1-CE2 3.63Å; V366-F370 WeakPolarHBondContact O-CD2 3.33Å; V366-F370 PolarHBondContact O-N 3.3Å; V366-F401 HydrophobicContact CB-CE2 3.82Å; V366-F401 HydrophobicContact CG1-CE2 3.82Å; V366-F401 HydrophobicContact CG1-CZ 4.38Å; V366-F401 HydrophobicContact CG2-CE2 3.9Å; V366-F401 HydrophobicContact CG2-CZ 4.37Å; V366-I405 HydrophobicContact CB-CD1 4.36Å; V366-I405 HydrophobicContact CG1-CD1 3.81Å; V366-I405 HydrophobicContact CG1-CG1 4.02Å
367	V	94.8	Very high	90.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-36.6	173	172.3	0	0	0	0	111.3	V363 L364 M369 F370 N371 N380 V384 V404 I405 L408	V363-V367 HydrophobicContact CG1-CG2 4.22Å; V363-V367 WeakPolarHBondContact O-CG2 3.24Å; V363-V367 PolarHBondContact O-N 3.16Å; L364-V367 PolarHBondContact O-N 2.95Å; V367-M369 VanDerWaalsContact C-N 3.29Å; V367-M369 PolarHBondContact O-N 3.02Å; V367-F370 PolarHBondContact O-N 3.26Å; V367-N371 WeakPolarHBondContact O-CA 3.43Å; V367-N371 WeakPolarHBondContact O-CB 3.45Å; V367-N371 PolarHBondContact O-N 3.44Å; V367-N380 HydrophobicContact CG1-CB 3.87Å; V367-N380 PolarHBondContact O-ND2 3.41Å; V367-V384 HydrophobicContact CB-CG2 4.2Å; V367-V384 HydrophobicContact CG1-CG2 4.37Å; V367-V384 HydrophobicContact CG2-CG2 3.84Å; V367-V404 HydrophobicContact CG2-CG1 4.09Å; V367-V404 HydrophobicContact CG2-CG2 4.3Å; V367-I405 HydrophobicContact CB-CD1 4.49Å; V367-I405 HydrophobicContact CG2-CD1 3.66Å; V367-L408 HydrophobicContact CG1-CD1 3.94Å; V367-L408 HydrophobicContact CG2-CD1 4.28Å
368	H	93.1	Very high	90.4	Very high	66 Å²	66	58.7 Å²	58.7	31%	0.306	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-33.3	172.4	-70.4	-42.6	0	0	0	113.5	L364 A365 V366 N371 P372 A375 N380	L364-H368 WeakPolarHBondContact CG-NE2 3.46Å; L364-H368 PolarHBondContact O-CD2 2.85Å; L364-H368 VanDerWaalsContact O-CG 3.28Å; L364-H368 PolarHBondContact O-N 3.03Å; A365-H368 PolarHBondContact O-N 2.76Å; V366-H368 VanDerWaalsContact C-N 3.28Å; V366-H368 PolarHBondContact O-N 3.17Å; H368-N371 CarbonylContact O-C 3.54Å; H368-P372 WeakPolarHBondContact O-CA 3.49Å; H368-A375 HydrophobicContact CB-CB 4.03Å; H368-A375 VanDerWaalsContact ND1-CA 3.34Å; H368-A375 WeakPolarHBondContact ND1-CA 3.49Å; H368-A375 WeakPolarHBondContact ND1-CB 3.39Å; H368-N380 PolarHBondContact ND1-ND2 3.4Å
369	M	88.4	Confident	90.2	Very high	99 Å²	99	59.9 Å²	59.9	49%	0.488	35%	0.345	S	S	.	.	H	α-helix	trans	-67.6	-43.8	177.3	-173.3	175.4	70.8	0	0	111.8	F349 A365 V366 V367	F349-M369 HydrophobicContact CB-CE 4.03Å; F349-M369 HydrophobicContact CD1-CE 3.85Å; F349-M369 HydrophobicContact CG-CE 4.3Å; A365-M369 PolarHBondContact O-N 2.98Å; V366-M369 HydrophobicContact CG1-CE 4.26Å; V366-M369 VanDerWaalsContact O-CB 3.31Å; V366-M369 WeakPolarHBondContact O-CB 2.99Å; V366-M369 PolarHBondContact O-N 3.47Å; V367-M369 VanDerWaalsContact C-N 3.29Å; V367-M369 PolarHBondContact O-N 3.02Å
370	F	88	Confident	90.1	Very high	50 Å²	50	56 Å²	56	22%	0.219	32%	0.324	C	S	.	.	H	α-helix	trans	-89	-20.9	-177.4	-68.6	-69.8	0	0	0	114.2	F341 F349 V366 V367 P372 I405 L409	F341-F370 HydrophobicContact CE2-CE2 4.38Å; F341-F370 HydrophobicContact CE2-CZ 4.33Å; F341-F370 HydrophobicContact CZ-CE2 4.28Å; F349-F370 HydrophobicContact CB-CE2 4.2Å; F349-F370 HydrophobicContact CB-CZ 3.93Å; F349-F370 AromaticContact CD1-CZ 3.97Å; F349-F370 HydrophobicContact CD1-CZ 3.97Å; F349-F370 HydrophobicContact CD2-CZ 4.11Å; F349-F370 HydrophobicContact CG-CE2 4.49Å; F349-F370 AromaticContact CG-CZ 3.74Å; F349-F370 HydrophobicContact CG-CZ 3.74Å; V366-F370 HydrophobicContact CG1-CD2 3.75Å; V366-F370 HydrophobicContact CG1-CE2 3.63Å; V366-F370 WeakPolarHBondContact O-CD2 3.33Å; V366-F370 PolarHBondContact O-N 3.3Å; V367-F370 PolarHBondContact O-N 3.26Å; F370-P372 VanDerWaalsContact C-CD 3.47Å; F370-I405 HydrophobicContact CD2-CD1 4.13Å; F370-I405 HydrophobicContact CD2-CG2 3.86Å; F370-I405 HydrophobicContact CE2-CG2 3.81Å; F370-L409 HydrophobicContact CD1-CD1 3.7Å; F370-L409 HydrophobicContact CE1-CD1 3.71Å; F370-L409 HydrophobicContact CE1-CD2 4.33Å
371	N	89.6	Confident	90.1	Very high	40 Å²	40	54.6 Å²	54.6	21%	0.214	32%	0.324	C	S	.	.			trans	-126.3	70.1	172.7	-173	13.8	0	0	0	111.2	V367 H368 K373 G374 A375 N380	V367-N371 WeakPolarHBondContact O-CA 3.43Å; V367-N371 WeakPolarHBondContact O-CB 3.45Å; V367-N371 PolarHBondContact O-N 3.44Å; H368-N371 CarbonylContact O-C 3.54Å; N371-K373 VanDerWaalsContact C-N 3.3Å; N371-K373 PolarHBondContact O-N 3.11Å; N371-G374 PolarHBondContact O-N 3.21Å; N371-G374 VanDerWaalsContact O-N 3.14Å; N371-G374 PolarHBondContact OD1-N 3.5Å; N371-A375 PolarHBondContact O-N 3.41Å; N371-N380 PolarHBondContact ND2-OD1 3.39Å; N371-N380 PolarHBondContact O-ND2 3.27Å
372	P	85.9	Confident	90.1	Very high	82 Å²	82	54.3 Å²	54.3	53%	0.532	33%	0.326	S	S	.	.	H	α-helix	trans	-66.3	-30.6	-176.1	25.5	-34.6	0	0	0	112.8	H368 F370 G374 A375	H368-P372 WeakPolarHBondContact O-CA 3.49Å; F370-P372 VanDerWaalsContact C-CD 3.47Å; P372-G374 VanDerWaalsContact C-N 3.3Å; P372-G374 PolarHBondContact O-N 3.48Å; P372-A375 VanDerWaalsContact O-CB 3.26Å; P372-A375 WeakPolarHBondContact O-CB 3.16Å; P372-A375 PolarHBondContact O-N 3.34Å; P372-A375 VanDerWaalsContact O-N 3.14Å
373	K	83.6	Confident	90.1	Very high	173 Å²	173	55.4 Å²	55.4	75%	0.752	33%	0.328	S	S	*	.	H	α-helix	trans	-63.3	-38.8	174.1	-70	179.6	-178.4	169.8	0	111.3	N371 A375 T376	N371-K373 VanDerWaalsContact C-N 3.3Å; N371-K373 PolarHBondContact O-N 3.11Å; K373-A375 VanDerWaalsContact C-N 3.26Å; K373-A375 PolarHBondContact O-N 3.23Å; K373-T376 PolarHBondContact O-OG1 3.05Å
374	G	80.9	Confident	90.1	Very high	5 Å²	5	55.3 Å²	55.3	5%	0.052	33%	0.328	C	S	.	.	H	α-helix	trans	-71.1	-20.8	175.7	0	0	0	0	0	113.5	N371 P372 T376 S377 N380	N371-G374 PolarHBondContact O-N 3.21Å; N371-G374 VanDerWaalsContact O-N 3.14Å; N371-G374 PolarHBondContact OD1-N 3.5Å; P372-G374 VanDerWaalsContact C-N 3.3Å; P372-G374 PolarHBondContact O-N 3.48Å; G374-T376 VanDerWaalsContact C-N 3.33Å; G374-T376 PolarHBondContact O-N 3.19Å; G374-S377 CarbonylContact O-C 3.49Å; G374-S377 PolarHBondContact O-N 2.74Å; G374-S377 VanDerWaalsContact O-N 3.16Å; G374-S377 PolarHBondContact O-OG 3.09Å; G374-N380 VanDerWaalsContact C-CG 3.43Å; G374-N380 VanDerWaalsContact CA-OD1 3.23Å; G374-N380 WeakPolarHBondContact CA-OD1 3.07Å
375	A	79.5	Confident	90.1	Very high	41 Å²	41	57.2 Å²	57.2	34%	0.339	34%	0.338	S	S	.	.	H	α-helix	trans	-68.5	-27.6	178.7	0	0	0	0	0	114	H368 N371 P372 K373 S377 N380	H368-A375 HydrophobicContact CB-CB 4.03Å; H368-A375 VanDerWaalsContact ND1-CA 3.34Å; H368-A375 WeakPolarHBondContact ND1-CA 3.49Å; H368-A375 WeakPolarHBondContact ND1-CB 3.39Å; N371-A375 PolarHBondContact O-N 3.41Å; P372-A375 VanDerWaalsContact O-CB 3.26Å; P372-A375 WeakPolarHBondContact O-CB 3.16Å; P372-A375 PolarHBondContact O-N 3.34Å; P372-A375 VanDerWaalsContact O-N 3.14Å; K373-A375 VanDerWaalsContact C-N 3.26Å; K373-A375 PolarHBondContact O-N 3.23Å; A375-S377 PolarHBondContact O-N 2.65Å; A375-N380 PolarHBondContact N-ND2 3.28Å
376	T	77.9	Confident	90.3	Very high	131 Å²	131	59.4 Å²	59.4	80%	0.804	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	3.5	175.4	61.2	0	0	0	0	112.7	K373 G374	K373-T376 PolarHBondContact O-OG1 3.05Å; G374-T376 VanDerWaalsContact C-N 3.33Å; G374-T376 PolarHBondContact O-N 3.19Å
377	S	79.1	Confident	90.5	Very high	62 Å²	62	62.4 Å²	62.4	43%	0.434	35%	0.349	S	S	.	.	S	Bend	trans	-132.9	172.9	-179	76.2	0	0	0	0	111.1	G374 A375 A379	G374-S377 CarbonylContact O-C 3.49Å; G374-S377 PolarHBondContact O-N 2.74Å; G374-S377 VanDerWaalsContact O-N 3.16Å; G374-S377 PolarHBondContact O-OG 3.09Å; A375-S377 PolarHBondContact O-N 2.65Å; S377-A379 PolarHBondContact O-N 3.18Å; S377-A379 WeakPolarHBondContact OG-CB 3.31Å; S377-A379 PolarHBondContact OG-N 2.89Å; S377-A379 VanDerWaalsContact OG-N 3.09Å
378	A	90	Very high	90.7	Very high	72 Å²	72	63.4 Å²	63.4	60%	0.595	35%	0.354	S	S	*	.	S	Bend	trans	-73.2	-3.4	170.4	0	0	0	0	0	113.3	N380 S381 L382	A378-N380 PolarHBondContact O-N 3.49Å; A378-S381 WeakPolarHBondContact O-CB 3.33Å; A378-S381 PolarHBondContact O-N 3.14Å; A378-L382 WeakPolarHBondContact O-CG 3.48Å; A378-L382 PolarHBondContact O-N 3.03Å; A378-L382 VanDerWaalsContact O-N 3.1Å
379	A	94.3	Very high	90.9	Very high	39 Å²	39	66.3 Å²	66.3	32%	0.322	37%	0.366	S	S	.	.	H	α-helix	trans	-60.6	-45.1	-172.2	0	0	0	0	0	112.9	S377 S381 L382 I383	S377-A379 PolarHBondContact O-N 3.18Å; S377-A379 WeakPolarHBondContact OG-CB 3.31Å; S377-A379 PolarHBondContact OG-N 2.89Å; S377-A379 VanDerWaalsContact OG-N 3.09Å; A379-S381 VanDerWaalsContact C-N 3.28Å; A379-S381 PolarHBondContact O-N 3.04Å; A379-L382 PolarHBondContact O-N 3.25Å; A379-L382 VanDerWaalsContact O-N 3.14Å; A379-I383 VanDerWaalsContact O-CG1 3.31Å; A379-I383 WeakPolarHBondContact O-CG1 3.24Å; A379-I383 PolarHBondContact O-N 3.41Å
380	N	95.3	Very high	91.3	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-64.3	-34.9	179.8	-75	7.7	0	0	0	112.3	L364 V367 H368 N371 G374 A375 A378 I383 V384	L364-N380 HydrophobicContact CD1-CB 3.9Å; V367-N380 HydrophobicContact CG1-CB 3.87Å; V367-N380 PolarHBondContact O-ND2 3.41Å; H368-N380 PolarHBondContact ND1-ND2 3.4Å; N371-N380 PolarHBondContact ND2-OD1 3.39Å; N371-N380 PolarHBondContact O-ND2 3.27Å; G374-N380 VanDerWaalsContact C-CG 3.43Å; G374-N380 VanDerWaalsContact CA-OD1 3.23Å; G374-N380 WeakPolarHBondContact CA-OD1 3.07Å; A375-N380 PolarHBondContact N-ND2 3.28Å; A378-N380 PolarHBondContact O-N 3.49Å; N380-I383 PolarHBondContact O-N 3.22Å; N380-V384 WeakPolarHBondContact O-CB 3.24Å; N380-V384 VanDerWaalsContact O-CG2 3.29Å; N380-V384 WeakPolarHBondContact O-CG2 3.46Å; N380-V384 PolarHBondContact O-N 3.39Å
381	S	96.1	Very high	91.8	Very high	39 Å²	39	66.5 Å²	66.5	27%	0.273	38%	0.375	S	S	.	.	H	α-helix	trans	-63	-46.7	173.6	-171.2	0	0	0	0	110.6	R360 A378 A379 I383 V384 D385	R360-S381 PolarHBondContact NH2-OG 3.37Å; A378-S381 WeakPolarHBondContact O-CB 3.33Å; A378-S381 PolarHBondContact O-N 3.14Å; A379-S381 VanDerWaalsContact C-N 3.28Å; A379-S381 PolarHBondContact O-N 3.04Å; S381-I383 PolarHBondContact O-N 3.42Å; S381-V384 PolarHBondContact O-N 3.12Å; S381-D385 WeakPolarHBondContact O-CB 3.32Å; S381-D385 PolarHBondContact O-N 2.94Å; S381-D385 PolarHBondContact OG-OD2 3.23Å
382	L	96.4	Very high	92.1	Very high	117 Å²	117	73.7 Å²	73.7	61%	0.613	41%	0.405	S	S	*	.	H	α-helix	trans	-63.5	-39.7	179	-66.6	171.5	0	0	0	112.4	A378 A379 D385 E386	A378-L382 WeakPolarHBondContact O-CG 3.48Å; A378-L382 PolarHBondContact O-N 3.03Å; A378-L382 VanDerWaalsContact O-N 3.1Å; A379-L382 PolarHBondContact O-N 3.25Å; A379-L382 VanDerWaalsContact O-N 3.14Å; L382-D385 PolarHBondContact O-N 2.98Å; L382-E386 WeakPolarHBondContact O-CB 3.21Å; L382-E386 PolarHBondContact O-N 3.16Å
383	I	96.4	Very high	92.7	Very high	44 Å²	44	72.3 Å²	72.3	23%	0.226	40%	0.395	C	S	.	.	H	α-helix	trans	-60.1	-52.5	174	-68.7	164.5	0	0	0	109.4	A379 N380 S381 D385 E386 Y387 V404	A379-I383 VanDerWaalsContact O-CG1 3.31Å; A379-I383 WeakPolarHBondContact O-CG1 3.24Å; A379-I383 PolarHBondContact O-N 3.41Å; N380-I383 PolarHBondContact O-N 3.22Å; S381-I383 PolarHBondContact O-N 3.42Å; I383-D385 VanDerWaalsContact C-N 3.31Å; I383-D385 PolarHBondContact O-N 3.49Å; I383-E386 PolarHBondContact O-N 3.34Å; I383-Y387 HydrophobicContact CG2-CD2 4.2Å; I383-Y387 HydrophobicContact CG2-CE2 4.12Å; I383-Y387 VanDerWaalsContact O-CD2 3.27Å; I383-Y387 WeakPolarHBondContact O-CD2 3.41Å; I383-Y387 PolarHBondContact O-N 3.12Å; I383-Y387 VanDerWaalsContact O-N 3.16Å; I383-V404 HydrophobicContact CG2-CG2 3.67Å
384	V	97.8	Very high	93.4	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-59.7	-42.9	179	171.1	0	0	0	0	111.4	R360 V363 L364 V367 N380 S381 E386 Y387 L388	R360-V384 HydrophobicContact CG-CG1 3.84Å; V363-V384 HydrophobicContact CB-CG1 4.48Å; V363-V384 HydrophobicContact CG1-CG1 4.23Å; V363-V384 HydrophobicContact CG1-CG2 4.07Å; L364-V384 HydrophobicContact CB-CG2 4.29Å; L364-V384 HydrophobicContact CD1-CG2 3.97Å; V367-V384 HydrophobicContact CB-CG2 4.2Å; V367-V384 HydrophobicContact CG1-CG2 4.37Å; V367-V384 HydrophobicContact CG2-CG2 3.84Å; N380-V384 WeakPolarHBondContact O-CB 3.24Å; N380-V384 VanDerWaalsContact O-CG2 3.29Å; N380-V384 WeakPolarHBondContact O-CG2 3.46Å; N380-V384 PolarHBondContact O-N 3.39Å; S381-V384 PolarHBondContact O-N 3.12Å; V384-E386 VanDerWaalsContact C-N 3.32Å; V384-E386 PolarHBondContact O-N 3.19Å; V384-Y387 PolarHBondContact O-N 3.05Å; V384-L388 HydrophobicContact CG1-CD1 3.57Å; V384-L388 HydrophobicContact CG1-CG 4.05Å; V384-L388 WeakPolarHBondContact O-CB 3.26Å; V384-L388 VanDerWaalsContact O-CG 3.27Å; V384-L388 WeakPolarHBondContact O-CG 3.14Å; V384-L388 PolarHBondContact O-N 3.09Å
385	D	97.4	Very high	94.3	Very high	69 Å²	69	71 Å²	71	37%	0.369	40%	0.396	S	S	.	.	H	α-helix	trans	-63.4	-36.8	179.5	-68	-30.3	0	0	0	112.4	R360 S381 L382 I383 K389	R360-D385 IonicContact CZ-OD1 2.72Å; R360-D385 IonicContact NE-OD1 3.76Å; R360-D385 PolarHBondContact NE-OD1 2.88Å; R360-D385 VanDerWaalsContact NH2-CG 3.26Å; R360-D385 IonicContact NH2-OD1 3.89Å; R360-D385 PolarHBondContact NH2-OD1 3.47Å; R360-D385 IonicContact NH2-OD2 2.77Å; R360-D385 PolarHBondContact NH2-OD2 2.86Å; R360-D385 VanDerWaalsContact NH2-OD2 3.12Å; S381-D385 WeakPolarHBondContact O-CB 3.32Å; S381-D385 PolarHBondContact O-N 2.94Å; S381-D385 PolarHBondContact OG-OD2 3.23Å; L382-D385 PolarHBondContact O-N 2.98Å; I383-D385 VanDerWaalsContact C-N 3.31Å; I383-D385 PolarHBondContact O-N 3.49Å; D385-K389 PolarHBondContact O-N 2.93Å; D385-K389 VanDerWaalsContact O-N 3.09Å
386	E	97.9	Very high	95.2	Very high	105 Å²	105	71.9 Å²	71.9	49%	0.491	40%	0.395	S	S	.	.	H	α-helix	trans	-66	-44.6	176	178.9	58.2	-153	0	0	112.1	L382 I383 V384 K389	L382-E386 WeakPolarHBondContact O-CB 3.21Å; L382-E386 PolarHBondContact O-N 3.16Å; I383-E386 PolarHBondContact O-N 3.34Å; V384-E386 VanDerWaalsContact C-N 3.32Å; V384-E386 PolarHBondContact O-N 3.19Å; E386-K389 VanDerWaalsContact O-CD 3.3Å; E386-K389 WeakPolarHBondContact O-CD 2.96Å; E386-K389 VanDerWaalsContact O-CG 3.26Å; E386-K389 WeakPolarHBondContact O-CG 3.3Å; E386-K389 IonicContact OE1-NZ 3.02Å; E386-K389 PolarHBondContact OE1-NZ 3.16Å
387	Y	98.1	Very high	96.1	Very high	76 Å²	76	67.1 Å²	67.1	30%	0.298	36%	0.364	S	S	.	.	H	α-helix	trans	-72.1	-31.8	179.5	-80.3	-107.5	0	0	0	112.3	I383 V384 A400 E403 V404 D407	I383-Y387 HydrophobicContact CG2-CD2 4.2Å; I383-Y387 HydrophobicContact CG2-CE2 4.12Å; I383-Y387 VanDerWaalsContact O-CD2 3.27Å; I383-Y387 WeakPolarHBondContact O-CD2 3.41Å; I383-Y387 PolarHBondContact O-N 3.12Å; I383-Y387 VanDerWaalsContact O-N 3.16Å; V384-Y387 PolarHBondContact O-N 3.05Å; Y387-A400 WeakPolarHBondContact O-CB 3.3Å; Y387-E403 HydrophobicContact CD1-CB 4.48Å; Y387-E403 HydrophobicContact CE1-CB 4.47Å; Y387-V404 HydrophobicContact CD1-CB 3.53Å; Y387-V404 HydrophobicContact CD1-CG2 4.06Å; Y387-V404 HydrophobicContact CD2-CB 4.17Å; Y387-V404 HydrophobicContact CD2-CG2 3.79Å; Y387-V404 VanDerWaalsContact CE1-CA 3.45Å; Y387-V404 HydrophobicContact CE1-CB 3.75Å; Y387-V404 HydrophobicContact CE1-CG2 4.1Å; Y387-V404 HydrophobicContact CE2-CB 4.36Å; Y387-V404 HydrophobicContact CE2-CG2 3.83Å; Y387-V404 HydrophobicContact CG-CB 3.74Å; Y387-V404 HydrophobicContact CG-CG2 3.88Å; Y387-D407 PolarHBondContact OH-OD2 3.19Å
388	L	98.3	Very high	97	Very high	21 Å²	21	65.4 Å²	65.4	11%	0.11	35%	0.348	C	S	.	.	H	α-helix	trans	-89.6	0	-179.7	-62.1	-172.2	0	0	0	114.1	R360 V384 D390 A391 I397 A400	R360-L388 HydrophobicContact CB-CD1 3.83Å; R360-L388 HydrophobicContact CG-CD1 3.79Å; V384-L388 HydrophobicContact CG1-CD1 3.57Å; V384-L388 HydrophobicContact CG1-CG 4.05Å; V384-L388 WeakPolarHBondContact O-CB 3.26Å; V384-L388 VanDerWaalsContact O-CG 3.27Å; V384-L388 WeakPolarHBondContact O-CG 3.14Å; V384-L388 PolarHBondContact O-N 3.09Å; L388-D390 PolarHBondContact O-N 3.34Å; L388-A391 HydrophobicContact CB-CB 4.45Å; L388-A391 HydrophobicContact CD2-CB 4.32Å; L388-A391 WeakPolarHBondContact O-CB 3.37Å; L388-A391 PolarHBondContact O-N 3.37Å; L388-I397 HydrophobicContact CD1-CG2 4.22Å; L388-I397 HydrophobicContact CD2-CB 4.22Å; L388-I397 HydrophobicContact CD2-CG1 4.24Å; L388-I397 HydrophobicContact CD2-CG2 3.86Å; L388-A400 HydrophobicContact CD2-CB 3.49Å; L388-A400 VanDerWaalsContact CD2-CB 3.49Å
389	K	97.6	Very high	97.4	Very high	128 Å²	128	64.7 Å²	64.7	56%	0.557	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.5	-171.3	71.7	-172	173.2	-170.9	0	114.6	D385 E386	D385-K389 PolarHBondContact O-N 2.93Å; D385-K389 VanDerWaalsContact O-N 3.09Å; E386-K389 VanDerWaalsContact O-CD 3.3Å; E386-K389 WeakPolarHBondContact O-CD 2.96Å; E386-K389 VanDerWaalsContact O-CG 3.26Å; E386-K389 WeakPolarHBondContact O-CG 3.3Å; E386-K389 IonicContact OE1-NZ 3.02Å; E386-K389 PolarHBondContact OE1-NZ 3.16Å
390	D	97	Very high	97.6	Very high	122 Å²	122	63.6 Å²	63.6	65%	0.652	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-2.3	-178.2	-66.3	-51.8	0	0	0	113.1	L388	L388-D390 PolarHBondContact O-N 3.34Å
391	A	97.8	Very high	97.7	Very high	30 Å²	30	63.6 Å²	63.6	25%	0.248	33%	0.325	C	S	.	.			trans	-74.1	129	-176.1	0	0	0	0	0	111.6	L388 D396 I397	L388-A391 HydrophobicContact CB-CB 4.45Å; L388-A391 HydrophobicContact CD2-CB 4.32Å; L388-A391 WeakPolarHBondContact O-CB 3.37Å; L388-A391 PolarHBondContact O-N 3.37Å; A391-D396 HydrophobicContact CB-CB 3.74Å; A391-I397 HydrophobicContact CB-CG1 3.85Å
392	K	97.7	Very high	97.8	Very high	191 Å²	191	61.8 Å²	61.8	83%	0.83	31%	0.313	S	S	*	.			trans	-118.5	-26.2	-176.6	-63.1	173.1	-170.9	169.6	0	112.7	D396	K392-D396 WeakPolarHBondContact CA-OD2 3.35Å; K392-D396 PolarHBondContact N-OD2 2.83Å
393	T	98.4	Very high	97.9	Very high	54 Å²	54	59.3 Å²	59.3	33%	0.331	30%	0.298	S	S	.	.	S	Bend	trans	-121	163.2	179.4	82.7	0	0	0	0	111.8	E395 D396 I397	T393-E395 VanDerWaalsContact CB-OE2 3.22Å; T393-E395 WeakPolarHBondContact CB-OE2 3.23Å; T393-E395 PolarHBondContact O-N 2.82Å; T393-E395 PolarHBondContact OG1-N 3.17Å; T393-E395 PolarHBondContact OG1-OE2 3.45Å; T393-D396 PolarHBondContact N-OD2 3.11Å; T393-D396 WeakPolarHBondContact O-CB 3.49Å; T393-D396 PolarHBondContact O-N 3.24Å; T393-D396 VanDerWaalsContact O-N 3.14Å; T393-D396 PolarHBondContact OG1-N 3.24Å; T393-I397 WeakPolarHBondContact O-CG1 3.31Å; T393-I397 PolarHBondContact O-N 2.99Å
394	P	98.4	Very high	97.9	Very high	69 Å²	69	57.2 Å²	57.2	45%	0.448	29%	0.287	S	S	.	.	H	α-helix	trans	-55.8	-32.3	172.2	-27.2	37.1	0	0	0	113.7	G357 M358 I397 R398	G357-P394 CarbonylContact C-O 3.54Å; G357-P394 WeakPolarHBondContact CA-O 3.26Å; M358-P394 PolarHBondContact N-O 3.29Å; M358-P394 WeakPolarHBondContact O-CA 3.36Å; P394-I397 PolarHBondContact O-N 3.13Å; P394-R398 PolarHBondContact O-N 3.35Å
395	E	98.3	Very high	97.9	Very high	82 Å²	82	57.2 Å²	57.2	38%	0.383	29%	0.287	S	S	.	.	H	α-helix	trans	-70.1	-40.2	175.6	-58.6	79.8	-176.6	0	0	112	T393 I397 R398 D399	T393-E395 VanDerWaalsContact CB-OE2 3.22Å; T393-E395 WeakPolarHBondContact CB-OE2 3.23Å; T393-E395 PolarHBondContact O-N 2.82Å; T393-E395 PolarHBondContact OG1-N 3.17Å; T393-E395 PolarHBondContact OG1-OE2 3.45Å; E395-I397 VanDerWaalsContact C-N 3.26Å; E395-I397 PolarHBondContact O-N 2.89Å; E395-R398 WeakPolarHBondContact O-CB 3.39Å; E395-R398 PolarHBondContact O-N 3.31Å; E395-R398 VanDerWaalsContact O-N 3.12Å; E395-D399 PolarHBondContact O-N 3.36Å
396	D	98.4	Very high	97.9	Very high	59 Å²	59	54.3 Å²	54.3	32%	0.316	27%	0.274	S	S	.	.	H	α-helix	trans	-60.8	-39.6	172	-59.2	-29.9	0	0	0	110.7	A391 K392 T393 R398 D399 A400	A391-D396 HydrophobicContact CB-CB 3.74Å; K392-D396 WeakPolarHBondContact CA-OD2 3.35Å; K392-D396 PolarHBondContact N-OD2 2.83Å; T393-D396 PolarHBondContact N-OD2 3.11Å; T393-D396 WeakPolarHBondContact O-CB 3.49Å; T393-D396 PolarHBondContact O-N 3.24Å; T393-D396 VanDerWaalsContact O-N 3.14Å; T393-D396 PolarHBondContact OG1-N 3.24Å; D396-R398 VanDerWaalsContact C-N 3.33Å; D396-D399 PolarHBondContact O-N 2.92Å; D396-A400 WeakPolarHBondContact O-CB 3.29Å; D396-A400 PolarHBondContact O-N 3.14Å
397	I	98.5	Very high	97.8	Very high	31 Å²	31	51.8 Å²	51.8	16%	0.159	26%	0.263	C	S	.	.	H	α-helix	trans	-66.3	-36.3	176	-61.5	172	0	0	0	110.8	M358 V363 L388 A391 T393 P394 E395 F401	M358-I397 HydrophobicContact CB-CB 4.36Å; M358-I397 HydrophobicContact CB-CG2 3.75Å; V363-I397 HydrophobicContact CG2-CG2 3.71Å; L388-I397 HydrophobicContact CD1-CG2 4.22Å; L388-I397 HydrophobicContact CD2-CB 4.22Å; L388-I397 HydrophobicContact CD2-CG1 4.24Å; L388-I397 HydrophobicContact CD2-CG2 3.86Å; A391-I397 HydrophobicContact CB-CG1 3.85Å; T393-I397 WeakPolarHBondContact O-CG1 3.31Å; T393-I397 PolarHBondContact O-N 2.99Å; P394-I397 PolarHBondContact O-N 3.13Å; E395-I397 VanDerWaalsContact C-N 3.26Å; E395-I397 PolarHBondContact O-N 2.89Å; I397-F401 WeakPolarHBondContact O-CB 3.17Å; I397-F401 PolarHBondContact O-N 3.23Å
398	R	98.1	Very high	97.6	Very high	25 Å²	25	49.9 Å²	49.9	9%	0.094	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-46.1	173.1	172.3	-153.5	68.3	-146	-7.3	110.9	W354 E355 M358 P394 E395 D396 F401 T402 F447	W354-R398 HydrophobicContact CE3-CG 4.05Å; W354-R398 HydrophobicContact CZ3-CG 4.22Å; W354-R398 WeakPolarHBondContact O-CG 3.39Å; E355-R398 VanDerWaalsContact O-CD 3.31Å; E355-R398 WeakPolarHBondContact O-CD 3.32Å; E355-R398 PolarHBondContact O-NH1 3.23Å; E355-R398 VanDerWaalsContact O-NH1 3.07Å; M358-R398 HydrophobicContact CB-CB 4.4Å; M358-R398 HydrophobicContact CG-CB 4.17Å; P394-R398 PolarHBondContact O-N 3.35Å; E395-R398 WeakPolarHBondContact O-CB 3.39Å; E395-R398 PolarHBondContact O-N 3.31Å; E395-R398 VanDerWaalsContact O-N 3.12Å; D396-R398 VanDerWaalsContact C-N 3.33Å; R398-F401 WeakPolarHBondContact O-CA 3.4Å; R398-F401 VanDerWaalsContact O-CB 3.26Å; R398-F401 WeakPolarHBondContact O-CB 3.45Å; R398-F401 PolarHBondContact O-N 2.97Å; R398-F401 VanDerWaalsContact O-N 3.13Å; R398-T402 PolarHBondContact O-N 2.92Å; R398-F447 VanDerWaalsContact CZ-CD1 3.42Å
399	D	98.1	Very high	97.3	Very high	58 Å²	58	50 Å²	50	31%	0.31	26%	0.259	S	S	.	.	H	α-helix	trans	-65.4	-43.2	-178.3	-65.9	-13.8	0	0	0	110.3	E395 D396 F401 T402 E403	E395-D399 PolarHBondContact O-N 3.36Å; D396-D399 PolarHBondContact O-N 2.92Å; D399-F401 VanDerWaalsContact C-N 3.27Å; D399-F401 PolarHBondContact O-N 3.33Å; D399-T402 PolarHBondContact O-N 2.82Å; D399-T402 PolarHBondContact O-OG1 2.95Å; D399-E403 VanDerWaalsContact O-CG 3.24Å; D399-E403 WeakPolarHBondContact O-CG 3.3Å; D399-E403 PolarHBondContact O-N 3.4Å; D399-E403 VanDerWaalsContact O-N 3.14Å
400	A	98.1	Very high	97.1	Very high	15 Å²	15	44.1 Å²	44.1	12%	0.124	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-30.2	173	0	0	0	0	0	113.3	Y387 L388 D396 V404	Y387-A400 WeakPolarHBondContact O-CB 3.3Å; L388-A400 HydrophobicContact CD2-CB 3.49Å; L388-A400 VanDerWaalsContact CD2-CB 3.49Å; D396-A400 WeakPolarHBondContact O-CB 3.29Å; D396-A400 PolarHBondContact O-N 3.14Å; A400-V404 WeakPolarHBondContact O-CB 3.26Å; A400-V404 WeakPolarHBondContact O-CG1 3.48Å; A400-V404 PolarHBondContact O-N 2.77Å
401	F	97.8	Very high	97.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-44.7	173.4	160.5	-107.8	0	0	0	112.5	F341 W354 M358 V363 V366 I397 R398 D399 E403 V404 I405	F341-F401 HydrophobicContact CD1-CE1 4.31Å; F341-F401 HydrophobicContact CD1-CZ 4.29Å; F341-F401 AromaticContact CE1-CE1 3.92Å; F341-F401 HydrophobicContact CE1-CE1 3.92Å; F341-F401 HydrophobicContact CE1-CE2 4.24Å; F341-F401 AromaticContact CE1-CZ 3.57Å; F341-F401 HydrophobicContact CE1-CZ 3.57Å; W354-F401 HydrophobicContact CB-CE1 4.45Å; W354-F401 HydrophobicContact CE3-CE1 4.26Å; M358-F401 HydrophobicContact CE-CD1 4.1Å; M358-F401 HydrophobicContact CE-CD2 3.82Å; M358-F401 HydrophobicContact CE-CE1 4.18Å; M358-F401 HydrophobicContact CE-CE2 3.9Å; M358-F401 HydrophobicContact CE-CG 3.89Å; M358-F401 HydrophobicContact CE-CZ 4.06Å; M358-F401 HydrophobicContact CG-CB 4.48Å; M358-F401 HydrophobicContact CG-CD1 4.2Å; M358-F401 HydrophobicContact CG-CG 4.38Å; V363-F401 HydrophobicContact CB-CD2 4.43Å; V363-F401 HydrophobicContact CG1-CB 4.39Å; V363-F401 HydrophobicContact CG1-CD2 4.21Å; V363-F401 HydrophobicContact CG2-CB 3.76Å; V363-F401 HydrophobicContact CG2-CD2 4.17Å; V363-F401 HydrophobicContact CG2-CG 4.31Å; V366-F401 HydrophobicContact CB-CE2 3.82Å; V366-F401 HydrophobicContact CG1-CE2 3.82Å; V366-F401 HydrophobicContact CG1-CZ 4.38Å; V366-F401 HydrophobicContact CG2-CE2 3.9Å; V366-F401 HydrophobicContact CG2-CZ 4.37Å; I397-F401 WeakPolarHBondContact O-CB 3.17Å; I397-F401 PolarHBondContact O-N 3.23Å; R398-F401 WeakPolarHBondContact O-CA 3.4Å; R398-F401 VanDerWaalsContact O-CB 3.26Å; R398-F401 WeakPolarHBondContact O-CB 3.45Å; R398-F401 PolarHBondContact O-N 2.97Å; R398-F401 VanDerWaalsContact O-N 3.13Å; D399-F401 VanDerWaalsContact C-N 3.27Å; D399-F401 PolarHBondContact O-N 3.33Å; F401-E403 VanDerWaalsContact C-N 3.34Å; F401-V404 WeakPolarHBondContact O-CG1 3.38Å; F401-I405 HydrophobicContact CD2-CG1 3.93Å; F401-I405 HydrophobicContact CE2-CG1 3.76Å; F401-I405 WeakPolarHBondContact O-CG1 3.47Å; F401-I405 PolarHBondContact O-N 3.13Å
402	T	97.9	Very high	97	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-37.1	178.7	59.2	0	0	0	0	111.2	H339 F341 W354 R398 D399 G406	H339-T402 VanDerWaalsContact NE2-CB 3.32Å; H339-T402 WeakPolarHBondContact NE2-CB 3.31Å; H339-T402 PolarHBondContact NE2-OG1 2.93Å; F341-T402 WeakPolarHBondContact CB-O 3.47Å; F341-T402 WeakPolarHBondContact O-CB 3.46Å; F341-T402 WeakPolarHBondContact O-CG2 3.46Å; W354-T402 HydrophobicContact CE3-CG2 4.43Å; W354-T402 HydrophobicContact CZ3-CG2 3.89Å; R398-T402 PolarHBondContact O-N 2.92Å; D399-T402 PolarHBondContact O-N 2.82Å; D399-T402 PolarHBondContact O-OG1 2.95Å; T402-G406 PolarHBondContact O-N 3.12Å
403	E	97.8	Very high	96.9	Very high	66 Å²	66	32.8 Å²	32.8	31%	0.308	18%	0.18	S	C	.	.	H	α-helix	trans	-66.9	-50.4	176.3	-61	-75	159.1	0	0	111.6	Y387 D399 F401 I405 G406 D407 K449	Y387-E403 HydrophobicContact CD1-CB 4.48Å; Y387-E403 HydrophobicContact CE1-CB 4.47Å; D399-E403 VanDerWaalsContact O-CG 3.24Å; D399-E403 WeakPolarHBondContact O-CG 3.3Å; D399-E403 PolarHBondContact O-N 3.4Å; D399-E403 VanDerWaalsContact O-N 3.14Å; F401-E403 VanDerWaalsContact C-N 3.34Å; E403-I405 VanDerWaalsContact C-N 3.33Å; E403-I405 PolarHBondContact O-N 3.4Å; E403-G406 PolarHBondContact O-N 3.07Å; E403-D407 PolarHBondContact O-N 3Å; E403-K449 IonicContact OE1-NZ 3.95Å; E403-K449 PolarHBondContact OE1-NZ 3.12Å
404	V	97.6	Very high	96.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.8	-37.6	-178.3	71.3	0	0	0	0	112.8	V363 V367 I383 Y387 A400 F401 L408	V363-V404 HydrophobicContact CG1-CG1 4.01Å; V367-V404 HydrophobicContact CG2-CG1 4.09Å; V367-V404 HydrophobicContact CG2-CG2 4.3Å; I383-V404 HydrophobicContact CG2-CG2 3.67Å; Y387-V404 HydrophobicContact CD1-CB 3.53Å; Y387-V404 HydrophobicContact CD1-CG2 4.06Å; Y387-V404 HydrophobicContact CD2-CB 4.17Å; Y387-V404 HydrophobicContact CD2-CG2 3.79Å; Y387-V404 VanDerWaalsContact CE1-CA 3.45Å; Y387-V404 HydrophobicContact CE1-CB 3.75Å; Y387-V404 HydrophobicContact CE1-CG2 4.1Å; Y387-V404 HydrophobicContact CE2-CB 4.36Å; Y387-V404 HydrophobicContact CE2-CG2 3.83Å; Y387-V404 HydrophobicContact CG-CB 3.74Å; Y387-V404 HydrophobicContact CG-CG2 3.88Å; A400-V404 WeakPolarHBondContact O-CB 3.26Å; A400-V404 WeakPolarHBondContact O-CG1 3.48Å; A400-V404 PolarHBondContact O-N 2.77Å; F401-V404 WeakPolarHBondContact O-CG1 3.38Å; V404-L408 HydrophobicContact CG2-CD1 4.14Å; V404-L408 WeakPolarHBondContact O-CB 3.39Å; V404-L408 VanDerWaalsContact O-CG 3.24Å; V404-L408 WeakPolarHBondContact O-CG 3.27Å; V404-L408 PolarHBondContact O-N 2.74Å; V404-L408 VanDerWaalsContact O-N 3.09Å
405	I	96.6	Very high	96.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-76.4	-37.8	177.7	-58.1	-55.3	0	0	0	111	F341 V366 V367 F370 F401 E403 D407 L408 L409	F341-I405 HydrophobicContact CB-CB 4.29Å; F341-I405 HydrophobicContact CB-CG2 4.31Å; F341-I405 HydrophobicContact CD1-CB 3.66Å; F341-I405 HydrophobicContact CD1-CG1 4.34Å; F341-I405 HydrophobicContact CD1-CG2 3.66Å; F341-I405 HydrophobicContact CD2-CB 4.32Å; F341-I405 HydrophobicContact CD2-CG2 3.51Å; F341-I405 HydrophobicContact CE1-CB 3.98Å; F341-I405 HydrophobicContact CE1-CG1 4.28Å; F341-I405 HydrophobicContact CE1-CG2 3.7Å; F341-I405 HydrophobicContact CE2-CG2 3.53Å; F341-I405 HydrophobicContact CG-CB 3.85Å; F341-I405 HydrophobicContact CG-CG2 3.56Å; F341-I405 HydrophobicContact CZ-CB 4.4Å; F341-I405 HydrophobicContact CZ-CG2 3.61Å; V366-I405 HydrophobicContact CB-CD1 4.36Å; V366-I405 HydrophobicContact CG1-CD1 3.81Å; V366-I405 HydrophobicContact CG1-CG1 4.02Å; V367-I405 HydrophobicContact CB-CD1 4.49Å; V367-I405 HydrophobicContact CG2-CD1 3.66Å; F370-I405 HydrophobicContact CD2-CD1 4.13Å; F370-I405 HydrophobicContact CD2-CG2 3.86Å; F370-I405 HydrophobicContact CE2-CG2 3.81Å; F401-I405 HydrophobicContact CD2-CG1 3.93Å; F401-I405 HydrophobicContact CE2-CG1 3.76Å; F401-I405 WeakPolarHBondContact O-CG1 3.47Å; F401-I405 PolarHBondContact O-N 3.13Å; E403-I405 VanDerWaalsContact C-N 3.33Å; E403-I405 PolarHBondContact O-N 3.4Å; I405-D407 VanDerWaalsContact C-N 3.29Å; I405-D407 PolarHBondContact O-N 3.34Å; I405-L408 PolarHBondContact O-N 3.28Å; I405-L409 WeakPolarHBondContact O-CB 3.48Å; I405-L409 PolarHBondContact O-N 3.07Å
406	G	96.8	Very high	96.8	Very high	8 Å²	8	33 Å²	33	8%	0.082	17%	0.174	C	C	.	.	H	α-helix	trans	-57.2	-43.5	172.6	0	0	0	0	0	112.2	T402 E403 M410 A411	T402-G406 PolarHBondContact O-N 3.12Å; E403-G406 PolarHBondContact O-N 3.07Å; G406-M410 WeakPolarHBondContact O-CB 3.22Å; G406-M410 PolarHBondContact O-N 3.06Å; G406-A411 PolarHBondContact O-N 3.21Å
407	D	96.6	Very high	96.8	Very high	51 Å²	51	30.2 Å²	30.2	27%	0.273	16%	0.159	S	C	.	.	I	π-helix	trans	-67.5	-47.8	178.3	-82.2	-5.4	0	0	0	112.6	Y387 E403 I405 L409 A411 L412	Y387-D407 PolarHBondContact OH-OD2 3.19Å; E403-D407 PolarHBondContact O-N 3Å; I405-D407 VanDerWaalsContact C-N 3.29Å; I405-D407 PolarHBondContact O-N 3.34Å; D407-L409 VanDerWaalsContact C-N 3.35Å; D407-L409 PolarHBondContact O-N 2.97Å; D407-A411 PolarHBondContact O-N 3.19Å; D407-L412 HydrophobicContact CB-CD1 4.4Å; D407-L412 HydrophobicContact CB-CG 4.38Å; D407-L412 VanDerWaalsContact O-CB 3.28Å; D407-L412 WeakPolarHBondContact O-CB 3.42Å; D407-L412 WeakPolarHBondContact O-CG 3.36Å; D407-L412 PolarHBondContact O-N 3.25Å
408	L	93.8	Very high	96.8	Very high	36 Å²	36	29 Å²	29	19%	0.188	15%	0.153	C	C	.	.	I	π-helix	trans	-65.9	-37.8	179.4	-73.2	174	0	0	0	112.6	V367 V404 I405 L412	V367-L408 HydrophobicContact CG1-CD1 3.94Å; V367-L408 HydrophobicContact CG2-CD1 4.28Å; V404-L408 HydrophobicContact CG2-CD1 4.14Å; V404-L408 WeakPolarHBondContact O-CB 3.39Å; V404-L408 VanDerWaalsContact O-CG 3.24Å; V404-L408 WeakPolarHBondContact O-CG 3.27Å; V404-L408 PolarHBondContact O-N 2.74Å; V404-L408 VanDerWaalsContact O-N 3.09Å; I405-L408 PolarHBondContact O-N 3.28Å; L408-L412 HydrophobicContact CD2-CD1 4.34Å
409	L	91.4	Very high	96.8	Very high	23 Å²	23	29.3 Å²	29.3	12%	0.12	16%	0.164	C	C	.	.	I	π-helix	trans	-82.9	-42.8	-175	-172	65.1	0	0	0	111.7	L253 F341 L345 F370 I405 D407	L253-L409 HydrophobicContact CD2-CD1 3.67Å; L253-L409 HydrophobicContact CD2-CG 3.97Å; L253-L409 WeakPolarHBondContact CD2-O 3.5Å; L253-L409 WeakPolarHBondContact CG-O 3.47Å; F341-L409 HydrophobicContact CD2-CD2 4.16Å; F341-L409 HydrophobicContact CE2-CD2 4.34Å; L345-L409 HydrophobicContact CD1-CD2 3.84Å; F370-L409 HydrophobicContact CD1-CD1 3.7Å; F370-L409 HydrophobicContact CE1-CD1 3.71Å; F370-L409 HydrophobicContact CE1-CD2 4.33Å; I405-L409 WeakPolarHBondContact O-CB 3.48Å; I405-L409 PolarHBondContact O-N 3.07Å; D407-L409 VanDerWaalsContact C-N 3.35Å; D407-L409 PolarHBondContact O-N 2.97Å
410	M	94.3	Very high	96.8	Very high	6 Å²	6	29 Å²	29	3%	0.03	16%	0.159	C	C	.	.	I	π-helix	trans	-121.7	-56.7	-167.4	-62.3	-60	-176.3	0	0	113.2	L253 V336 E340 L345 G406 P413 T414 H452	L253-M410 HydrophobicContact CD1-SD 4.29Å; L253-M410 HydrophobicContact CD2-CE 4.27Å; L253-M410 HydrophobicContact CD2-SD 3.9Å; V336-M410 HydrophobicContact CG1-CB 4.01Å; E340-M410 HydrophobicContact CB-CB 4.1Å; E340-M410 HydrophobicContact CB-CG 3.86Å; E340-M410 HydrophobicContact CG-CB 3.66Å; E340-M410 HydrophobicContact CG-CG 3.8Å; L345-M410 HydrophobicContact CD1-CE 3.9Å; G406-M410 WeakPolarHBondContact O-CB 3.22Å; G406-M410 PolarHBondContact O-N 3.06Å; M410-P413 WeakPolarHBondContact O-CD 3.35Å; M410-T414 VanDerWaalsContact O-CB 3.28Å; M410-T414 WeakPolarHBondContact O-CB 3.49Å; M410-T414 PolarHBondContact O-N 3.49Å; M410-T414 VanDerWaalsContact O-N 3.07Å; M410-T414 PolarHBondContact O-OG1 2.94Å; M410-H452 WeakPolarHBondContact CE-CE1 3.46Å
411	A	96.8	Very high	96.8	Very high	16 Å²	16	28.2 Å²	28.2	13%	0.132	15%	0.153	C	C	.	.	I	π-helix	trans	-67	-50.6	-168.1	0	0	0	0	0	112.7	V336 G406 D407 T414 I415	V336-A411 HydrophobicContact CG2-CB 4.45Å; G406-A411 PolarHBondContact O-N 3.21Å; D407-A411 PolarHBondContact O-N 3.19Å; A411-T414 PolarHBondContact O-N 2.69Å; A411-I415 VanDerWaalsContact O-CG1 3.31Å; A411-I415 WeakPolarHBondContact O-CG1 3.41Å; A411-I415 PolarHBondContact O-N 2.93Å
412	L	95.8	Very high	96.9	Very high	75 Å²	75	32 Å²	32	39%	0.393	18%	0.176	S	C	.	.	H	α-helix	trans	-64.8	-47.2	-178.3	-64.6	171.8	0	0	0	112.4	D407 L408 T414 I415 Q416	D407-L412 HydrophobicContact CB-CD1 4.4Å; D407-L412 HydrophobicContact CB-CG 4.38Å; D407-L412 VanDerWaalsContact O-CB 3.28Å; D407-L412 WeakPolarHBondContact O-CB 3.42Å; D407-L412 WeakPolarHBondContact O-CG 3.36Å; D407-L412 PolarHBondContact O-N 3.25Å; L408-L412 HydrophobicContact CD2-CD1 4.34Å; L412-T414 VanDerWaalsContact C-N 3.31Å; L412-T414 PolarHBondContact O-N 3.28Å; L412-I415 PolarHBondContact O-N 3.39Å; L412-Q416 VanDerWaalsContact O-CG 3.32Å; L412-Q416 WeakPolarHBondContact O-CG 3.45Å; L412-Q416 PolarHBondContact O-N 2.71Å
413	P	96.2	Very high	96.9	Very high	13 Å²	13	36.7 Å²	36.7	8%	0.084	20%	0.201	C	C	.	.	H	α-helix	trans	-57.6	-41.9	173.6	-27.5	37.3	0	0	0	112.9	V250 L253 M410 Q416 V417	V250-P413 HydrophobicContact CG2-CB 3.75Å; L253-P413 HydrophobicContact CD1-CB 4.31Å; L253-P413 HydrophobicContact CG-CB 4.46Å; M410-P413 WeakPolarHBondContact O-CD 3.35Å; P413-Q416 PolarHBondContact O-N 3.45Å; P413-V417 WeakPolarHBondContact O-CG2 3.21Å; P413-V417 PolarHBondContact O-N 3.01Å
414	T	98.1	Very high	96.8	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-45	180	-59	0	0	0	0	111.7	V250 M334 V336 M410 A411 L412 Q416 V417 A418 M430	V250-T414 HydrophobicContact CG1-CG2 4.49Å; M334-T414 HydrophobicContact CB-CG2 4.14Å; M334-T414 HydrophobicContact CG-CG2 3.88Å; M334-T414 HydrophobicContact SD-CG2 4.1Å; V336-T414 HydrophobicContact CG1-CG2 4.34Å; M410-T414 VanDerWaalsContact O-CB 3.28Å; M410-T414 WeakPolarHBondContact O-CB 3.49Å; M410-T414 PolarHBondContact O-N 3.49Å; M410-T414 VanDerWaalsContact O-N 3.07Å; M410-T414 PolarHBondContact O-OG1 2.94Å; A411-T414 PolarHBondContact O-N 2.69Å; L412-T414 VanDerWaalsContact C-N 3.31Å; L412-T414 PolarHBondContact O-N 3.28Å; T414-Q416 VanDerWaalsContact C-N 3.33Å; T414-Q416 PolarHBondContact O-N 2.98Å; T414-V417 PolarHBondContact O-N 3.38Å; T414-A418 WeakPolarHBondContact O-CB 3.37Å; T414-A418 PolarHBondContact O-N 3.36Å; T414-M430 HydrophobicContact CG2-CE 4.27Å
415	I	97.8	Very high	96.8	Very high	101 Å²	101	37.2 Å²	37.2	52%	0.518	22%	0.222	S	C	.	.	H	α-helix	trans	-61.9	-41.5	176	-67.1	164	0	0	0	111.1	A411 L412 A418 G419 M430	A411-I415 VanDerWaalsContact O-CG1 3.31Å; A411-I415 WeakPolarHBondContact O-CG1 3.41Å; A411-I415 PolarHBondContact O-N 2.93Å; L412-I415 PolarHBondContact O-N 3.39Å; I415-A418 PolarHBondContact O-N 3.26Å; I415-G419 PolarHBondContact O-N 2.85Å; I415-G419 VanDerWaalsContact O-N 3.11Å; I415-M430 HydrophobicContact CG1-CE 3.98Å
416	Q	97.1	Very high	96.9	Very high	108 Å²	108	37.7 Å²	37.7	51%	0.505	23%	0.225	S	C	.	.	H	α-helix	trans	-63.9	-45.4	177.9	-72.7	175	-3.1	0	0	111.9	L412 P413 T414 G419 Y420	L412-Q416 VanDerWaalsContact O-CG 3.32Å; L412-Q416 WeakPolarHBondContact O-CG 3.45Å; L412-Q416 PolarHBondContact O-N 2.71Å; P413-Q416 PolarHBondContact O-N 3.45Å; T414-Q416 VanDerWaalsContact C-N 3.33Å; T414-Q416 PolarHBondContact O-N 2.98Å; Q416-G419 WeakPolarHBondContact O-CA 3.26Å; Q416-G419 PolarHBondContact O-N 2.98Å; Q416-G419 VanDerWaalsContact O-N 3.15Å; Q416-Y420 HydrophobicContact CB-CE2 4.49Å; Q416-Y420 VanDerWaalsContact O-CD2 3.23Å; Q416-Y420 WeakPolarHBondContact O-CD2 3.17Å; Q416-Y420 PolarHBondContact O-N 2.84Å
417	V	98.2	Very high	97	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-38.8	178.3	171.7	0	0	0	0	111.6	V250 T252 L322 M334 P413 T414 G419 Y420 H421	V250-V417 HydrophobicContact CB-CB 4.12Å; V250-V417 HydrophobicContact CB-CG1 4.16Å; V250-V417 HydrophobicContact CB-CG2 3.87Å; V250-V417 HydrophobicContact CG1-CB 4.13Å; V250-V417 HydrophobicContact CG1-CG1 4.07Å; V250-V417 HydrophobicContact CG1-CG2 4.44Å; V250-V417 HydrophobicContact CG2-CB 4.19Å; V250-V417 HydrophobicContact CG2-CG2 3.7Å; T252-V417 HydrophobicContact CG2-CG2 3.77Å; T252-V417 VanDerWaalsContact OG1-CG2 3.25Å; T252-V417 WeakPolarHBondContact OG1-CG2 3.49Å; L322-V417 HydrophobicContact CD1-CG2 3.96Å; M334-V417 HydrophobicContact CE-CG1 4.42Å; M334-V417 HydrophobicContact SD-CG1 4.36Å; P413-V417 WeakPolarHBondContact O-CG2 3.21Å; P413-V417 PolarHBondContact O-N 3.01Å; T414-V417 PolarHBondContact O-N 3.38Å; V417-G419 VanDerWaalsContact C-N 3.27Å; V417-G419 PolarHBondContact O-N 3.44Å; V417-Y420 PolarHBondContact O-N 3.28Å; V417-H421 PolarHBondContact O-CD2 3.1Å; V417-H421 PolarHBondContact O-N 3.14Å
418	A	98.4	Very high	97.1	Very high	5 Å²	5	39.7 Å²	39.7	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-56.2	-42.8	171.2	0	0	0	0	0	111.9	M334 T414 I415 H421 T422 V428 M430	M334-A418 HydrophobicContact CE-CB 4.39Å; M334-A418 HydrophobicContact CG-CB 4.44Å; M334-A418 HydrophobicContact SD-CB 3.62Å; T414-A418 WeakPolarHBondContact O-CB 3.37Å; T414-A418 PolarHBondContact O-N 3.36Å; I415-A418 PolarHBondContact O-N 3.26Å; A418-H421 PolarHBondContact O-N 3.28Å; A418-T422 WeakPolarHBondContact O-CB 3.33Å; A418-T422 PolarHBondContact O-N 3.09Å; A418-T422 PolarHBondContact O-OG1 3.21Å; A418-V428 HydrophobicContact CB-CG1 4.02Å; A418-M430 HydrophobicContact CB-CE 3.99Å; A418-M430 HydrophobicContact CB-CG 4.19Å; A418-M430 HydrophobicContact CB-SD 3.48Å; A418-M430 WeakPolarHBondContact CB-SD 3.5Å
419	G	98.3	Very high	97.3	Very high	31 Å²	31	43.3 Å²	43.3	32%	0.32	25%	0.251	S	S	.	.	H	α-helix	trans	-59.5	-48.2	173.9	0	0	0	0	0	112.6	I415 Q416 V417 H421 T422 D423	I415-G419 PolarHBondContact O-N 2.85Å; I415-G419 VanDerWaalsContact O-N 3.11Å; Q416-G419 WeakPolarHBondContact O-CA 3.26Å; Q416-G419 PolarHBondContact O-N 2.98Å; Q416-G419 VanDerWaalsContact O-N 3.15Å; V417-G419 VanDerWaalsContact C-N 3.27Å; V417-G419 PolarHBondContact O-N 3.44Å; G419-H421 PolarHBondContact O-N 3.12Å; G419-T422 WeakPolarHBondContact O-CB 3.31Å; G419-T422 PolarHBondContact O-N 3.35Å; G419-D423 WeakPolarHBondContact O-CB 3.47Å; G419-D423 PolarHBondContact O-N 2.98Å
420	Y	98.3	Very high	97.7	Very high	51 Å²	51	47 Å²	47	20%	0.2	27%	0.269	C	S	.	.	H	α-helix	trans	-62.6	-41.1	178.6	-68.1	-55.6	0	0	0	113.3	L322 Q323 Q416 V417 D423 A424	L322-Y420 HydrophobicContact CB-CD1 4.24Å; L322-Y420 HydrophobicContact CB-CD2 3.71Å; L322-Y420 HydrophobicContact CB-CE2 4.23Å; L322-Y420 HydrophobicContact CB-CG 3.72Å; L322-Y420 HydrophobicContact CD1-CD2 4.02Å; L322-Y420 HydrophobicContact CG-CD2 4.35Å; Q323-Y420 HydrophobicContact CB-CE1 4.48Å; Q323-Y420 HydrophobicContact CG-CE1 3.7Å; Q323-Y420 WeakPolarHBondContact CG-OH 3.39Å; Q323-Y420 PolarHBondContact NE2-OH 2.04Å; Q416-Y420 HydrophobicContact CB-CE2 4.49Å; Q416-Y420 VanDerWaalsContact O-CD2 3.23Å; Q416-Y420 WeakPolarHBondContact O-CD2 3.17Å; Q416-Y420 PolarHBondContact O-N 2.84Å; V417-Y420 PolarHBondContact O-N 3.28Å; Y420-D423 PolarHBondContact O-N 3.42Å; Y420-A424 WeakPolarHBondContact O-CB 3.19Å; Y420-A424 PolarHBondContact O-N 2.97Å
421	H	98.4	Very high	97.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-41.5	174.6	-84.5	-90.2	0	0	0	111.7	F246 V332 V417 A418 G419 A424 G425 A426 V428	F246-H421 AromaticContact CE2-NE2 3.84Å; V332-H421 HydrophobicContact CG2-CB 3.98Å; V417-H421 PolarHBondContact O-CD2 3.1Å; V417-H421 PolarHBondContact O-N 3.14Å; A418-H421 PolarHBondContact O-N 3.28Å; G419-H421 PolarHBondContact O-N 3.12Å; H421-A424 PolarHBondContact O-N 3.4Å; H421-G425 PolarHBondContact O-N 3.14Å; H421-A426 HydrophobicContact CB-CB 4.29Å; H421-A426 WeakPolarHBondContact O-CB 3.28Å; H421-A426 PolarHBondContact O-N 3.46Å; H421-V428 HydrophobicContact CB-CG2 3.71Å
422	T	98	Very high	97.9	Very high	78 Å²	78	54 Å²	54	48%	0.479	30%	0.297	S	S	.	.	H	α-helix	trans	-61.3	-45.4	175.1	-56.9	0	0	0	0	111	A418 G419 A424 G425 V428	A418-T422 WeakPolarHBondContact O-CB 3.33Å; A418-T422 PolarHBondContact O-N 3.09Å; A418-T422 PolarHBondContact O-OG1 3.21Å; G419-T422 WeakPolarHBondContact O-CB 3.31Å; G419-T422 PolarHBondContact O-N 3.35Å; T422-A424 PolarHBondContact O-N 3.35Å; T422-G425 WeakPolarHBondContact O-CA 3.45Å; T422-G425 PolarHBondContact O-N 3.28Å; T422-V428 WeakPolarHBondContact OG1-CG2 3.35Å
423	D	97.8	Very high	98.1	Very high	101 Å²	101	50.9 Å²	50.9	54%	0.54	28%	0.28	S	S	.	.	H	α-helix	trans	-65.1	-27.4	178.4	-79	-14.6	0	0	0	113.1	K325 G419 Y420 G425	K325-D423 WeakPolarHBondContact CE-O 3.26Å; K325-D423 PolarHBondContact NZ-O 3.36Å; G419-D423 WeakPolarHBondContact O-CB 3.47Å; G419-D423 PolarHBondContact O-N 2.98Å; Y420-D423 PolarHBondContact O-N 3.42Å; D423-G425 VanDerWaalsContact C-N 3.26Å
424	A	97.4	Very high	98.2	Very high	24 Å²	24	54.2 Å²	54.2	20%	0.198	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-5.1	171.9	0	0	0	0	0	113.3	K325 V327 N329 Y420 H421 T422	K325-A424 HydrophobicContact CB-CB 4.25Å; V327-A424 HydrophobicContact CG1-CB 3.57Å; N329-A424 PolarHBondContact ND2-O 2.92Å; Y420-A424 WeakPolarHBondContact O-CB 3.19Å; Y420-A424 PolarHBondContact O-N 2.97Å; H421-A424 PolarHBondContact O-N 3.4Å; T422-A424 PolarHBondContact O-N 3.35Å
425	G	97.7	Very high	98.1	Very high	52 Å²	52	56 Å²	56	54%	0.536	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	19.7	177.3	0	0	0	0	0	114.6	H421 T422 D423	H421-G425 PolarHBondContact O-N 3.14Å; T422-G425 WeakPolarHBondContact O-CA 3.45Å; T422-G425 PolarHBondContact O-N 3.28Å; D423-G425 VanDerWaalsContact C-N 3.26Å
426	A	97.8	Very high	97.9	Very high	10 Å²	10	54.2 Å²	54.2	8%	0.083	30%	0.301	C	S	.	.			trans	-82.2	145.4	175.1	0	0	0	0	0	111.7	N329 V330 H421 V428	N329-A426 WeakPolarHBondContact OD1-CA 3.36Å; N329-A426 WeakPolarHBondContact OD1-CB 3.37Å; N329-A426 PolarHBondContact OD1-N 3.45Å; V330-A426 WeakPolarHBondContact O-CB 2.94Å; H421-A426 HydrophobicContact CB-CB 4.29Å; H421-A426 WeakPolarHBondContact O-CB 3.28Å; H421-A426 PolarHBondContact O-N 3.46Å; A426-V428 PolarHBondContact O-N 3.14Å
427	P	98.4	Very high	97.6	Very high	62 Å²	62	49.7 Å²	49.7	40%	0.403	28%	0.281	S	S	.	.			trans	-63.5	127.3	163.7	-21.1	34	0	0	0	110.4	P331 V332 Y429	P331-P427 WeakPolarHBondContact CA-O 3.47Å; P331-P427 HydrophobicContact CB-CB 4.22Å; P331-P427 HydrophobicContact CB-CG 4.39Å; P331-P427 HydrophobicContact CG-CG 4.16Å; V332-P427 PolarHBondContact N-O 3.36Å; P427-Y429 HydrophobicContact CB-CE2 4.45Å
428	V	98.7	Very high	97	Very high	40 Å²	40	56.4 Å²	56.4	24%	0.242	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.5	-178.6	-177.8	0	0	0	0	110	V332 M334 A418 H421 T422 A426 M430	V332-V428 HydrophobicContact CG2-CB 4.24Å; V332-V428 HydrophobicContact CG2-CG1 4.22Å; V332-V428 HydrophobicContact CG2-CG2 3.73Å; V332-V428 CarbonylContact O-C 3.53Å; V332-V428 WeakPolarHBondContact O-CA 3.48Å; M334-V428 HydrophobicContact CE-CG1 4.29Å; A418-V428 HydrophobicContact CB-CG1 4.02Å; H421-V428 HydrophobicContact CB-CG2 3.71Å; T422-V428 WeakPolarHBondContact OG1-CG2 3.35Å; A426-V428 PolarHBondContact O-N 3.14Å; V428-M430 HydrophobicContact CG1-CG 4.23Å
429	Y	98.8	Very high	96.3	Very high	112 Å²	112	57.5 Å²	57.5	44%	0.439	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.1	170.2	-57.8	-94.1	0	0	0	109.2	V332 M333 M334 P427 F493 G497	V332-Y429 PolarHBondContact O-N 2.97Å; M333-Y429 CarbonylContact C-O 3.57Å; M333-Y429 WeakPolarHBondContact CA-O 3.13Å; M334-Y429 PolarHBondContact N-O 3.35Å; P427-Y429 HydrophobicContact CB-CE2 4.45Å; Y429-F493 HydrophobicContact CD2-CD2 4.12Å; Y429-F493 AromaticContact CD2-CE2 3.7Å; Y429-F493 HydrophobicContact CD2-CE2 3.7Å; Y429-F493 HydrophobicContact CE2-CD2 4.24Å; Y429-F493 AromaticContact CE2-CE2 3.91Å; Y429-F493 HydrophobicContact CE2-CE2 3.91Å; Y429-G497 WeakPolarHBondContact CE2-O 3.39Å; Y429-G497 PolarHBondContact OH-O 3.15Å
430	M	98.4	Very high	95.4	Very high	100 Å²	100	60.2 Å²	60.2	49%	0.493	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.9	177.3	-65.4	-170.4	75.8	0	0	111.4	M334 T414 I415 A418 V428	M334-M430 HydrophobicContact CG-CG 4.31Å; M334-M430 WeakPolarHBondContact O-CA 3.29Å; T414-M430 HydrophobicContact CG2-CE 4.27Å; I415-M430 HydrophobicContact CG1-CE 3.98Å; A418-M430 HydrophobicContact CB-CE 3.99Å; A418-M430 HydrophobicContact CB-CG 4.19Å; A418-M430 HydrophobicContact CB-SD 3.48Å; A418-M430 WeakPolarHBondContact CB-SD 3.5Å; V428-M430 HydrophobicContact CG1-CG 4.23Å
431	Y	98.6	Very high	94.8	Very high	44 Å²	44	59.2 Å²	59.2	17%	0.173	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.6	169.7	74.4	-88	0	0	0	111.5	Q247 M333 M334 G335 V336 F433 D455 W490	Q247-Y431 WeakPolarHBondContact CB-OH 3.23Å; Q247-Y431 VanDerWaalsContact CG-OH 3.23Å; Q247-Y431 WeakPolarHBondContact CG-OH 3.26Å; M333-Y431 HydrophobicContact CG-CD1 4.21Å; M333-Y431 HydrophobicContact CG-CE1 4.45Å; M334-Y431 PolarHBondContact O-N 3.2Å; M334-Y431 VanDerWaalsContact O-N 3.09Å; G335-Y431 VanDerWaalsContact CA-CE1 3.49Å; G335-Y431 WeakPolarHBondContact CA-O 3.46Å; V336-Y431 PolarHBondContact N-O 2.6Å; Y431-F433 HydrophobicContact CD2-CB 4.14Å; Y431-F433 HydrophobicContact CE2-CB 3.97Å; Y431-D455 PolarHBondContact OH-OD2 3.06Å; Y431-W490 HydrophobicContact CD1-CH2 4.05Å; Y431-W490 HydrophobicContact CD1-CZ2 4.42Å; Y431-W490 HydrophobicContact CD2-CH2 4.4Å; Y431-W490 AromaticContact CE1-CH2 3.77Å; Y431-W490 HydrophobicContact CE1-CH2 3.77Å; Y431-W490 AromaticContact CE1-CZ2 3.73Å; Y431-W490 HydrophobicContact CE1-CZ2 3.73Å; Y431-W490 HydrophobicContact CE2-CH2 4.15Å; Y431-W490 HydrophobicContact CG-CH2 4.36Å; Y431-W490 AromaticContact CZ-CH2 3.83Å; Y431-W490 AromaticContact CZ-CZ2 3.79Å
432	E	98.6	Very high	94	Very high	125 Å²	125	61.9 Å²	61.9	58%	0.584	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.5	162.4	-177.2	-174	-156.3	0	0	107.3	V336 N338 V434	V336-E432 CarbonylContact O-C 3.59Å; V336-E432 WeakPolarHBondContact O-CA 3.33Å; N338-E432 HydrophobicContact CB-CG 4.16Å; N338-E432 WeakPolarHBondContact CB-OE1 3.14Å; E432-V434 HydrophobicContact CG-CG1 4.03Å
433	F	98.6	Very high	93.5	Very high	9 Å²	9	65 Å²	65	4%	0.039	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	120.1	179.4	-177.1	-86	0	0	0	110.3	V336 T337 N338 Y431 Y435 A450 D454 D455 F458 F482 M486	V336-F433 PolarHBondContact O-N 2.59Å; T337-F433 CarbonylContact C-O 3.52Å; T337-F433 WeakPolarHBondContact CA-O 3.32Å; T337-F433 HydrophobicContact CG2-CB 4.18Å; T337-F433 HydrophobicContact CG2-CD1 4.18Å; N338-F433 PolarHBondContact N-O 2.71Å; Y431-F433 HydrophobicContact CD2-CB 4.14Å; Y431-F433 HydrophobicContact CE2-CB 3.97Å; F433-Y435 WeakPolarHBondContact CE1-O 3.41Å; F433-A450 HydrophobicContact CD1-CB 3.54Å; F433-A450 HydrophobicContact CE1-CB 3.78Å; F433-D454 HydrophobicContact CE1-CB 3.95Å; F433-D455 HydrophobicContact CB-CB 4.1Å; F433-D455 HydrophobicContact CD1-CB 3.98Å; F433-D455 HydrophobicContact CD2-CB 3.34Å; F433-D455 HydrophobicContact CE1-CB 4.23Å; F433-D455 HydrophobicContact CE2-CB 3.55Å; F433-D455 HydrophobicContact CG-CB 3.55Å; F433-D455 HydrophobicContact CZ-CB 4.03Å; F433-F458 HydrophobicContact CE2-CD2 4.2Å; F433-F458 AromaticContact CZ-CD2 3.64Å; F433-F458 HydrophobicContact CZ-CD2 3.64Å; F433-F458 HydrophobicContact CZ-CE2 4.01Å; F433-F458 HydrophobicContact CZ-CG 4.48Å; F433-F482 HydrophobicContact CD2-CE1 4.33Å; F433-F482 HydrophobicContact CD2-CZ 4.2Å; F433-F482 AromaticContact CE2-CE1 3.36Å; F433-F482 HydrophobicContact CE2-CE1 3.36Å; F433-F482 AromaticContact CE2-CZ 3.65Å; F433-F482 HydrophobicContact CE2-CZ 3.65Å; F433-F482 AromaticContact CZ-CE1 3.71Å; F433-F482 HydrophobicContact CZ-CE1 3.71Å; F433-F482 HydrophobicContact CZ-CZ 4.21Å; F433-M486 HydrophobicContact CD2-CE 4.48Å; F433-M486 HydrophobicContact CD2-SD 4.35Å; F433-M486 HydrophobicContact CE2-SD 3.94Å
434	V	97.9	Very high	93.2	Very high	83 Å²	83	61.8 Å²	61.8	50%	0.503	34%	0.342	S	S	.	.			trans	-121.9	-1.4	-171.5	-56.1	0	0	0	0	113.9	N338 E432	N338-V434 HydrophobicContact CB-CG1 4.01Å; E432-V434 HydrophobicContact CG-CG1 4.03Å
435	Y	97.1	Very high	93	Very high	39 Å²	39	62 Å²	62	15%	0.153	34%	0.342	C	S	.	.			trans	-78.9	129.2	-172.9	-176.7	-90.3	0	0	0	111.2	F433 A450 F458 E478 D479 F482	F433-Y435 WeakPolarHBondContact CE1-O 3.41Å; Y435-A450 WeakPolarHBondContact O-CB 3.41Å; Y435-F458 HydrophobicContact CD1-CE1 4.14Å; Y435-F458 AromaticContact CD1-CE2 3.93Å; Y435-F458 HydrophobicContact CD1-CE2 3.93Å; Y435-F458 AromaticContact CD1-CZ 3.59Å; Y435-F458 HydrophobicContact CD1-CZ 3.59Å; Y435-F458 AromaticContact CE1-CE1 3.83Å; Y435-F458 HydrophobicContact CE1-CE1 3.83Å; Y435-F458 HydrophobicContact CE1-CE2 4.27Å; Y435-F458 AromaticContact CE1-CZ 3.46Å; Y435-F458 HydrophobicContact CE1-CZ 3.46Å; Y435-F458 VanDerWaalsContact CE1-CZ 3.46Å; Y435-E478 HydrophobicContact CE2-CG 4.35Å; Y435-D479 VanDerWaalsContact CE1-OD1 3.31Å; Y435-D479 WeakPolarHBondContact CE1-OD1 3.27Å; Y435-D479 PolarHBondContact OH-N 2.77Å; Y435-D479 PolarHBondContact OH-OD1 2.88Å; Y435-F482 VanDerWaalsContact CB-CZ 3.43Å; Y435-F482 AromaticContact CD1-CD1 3.77Å; Y435-F482 HydrophobicContact CD1-CD1 3.77Å; Y435-F482 AromaticContact CD1-CE1 3.95Å; Y435-F482 HydrophobicContact CD1-CE1 3.95Å; Y435-F482 HydrophobicContact CD1-CG 4.27Å; Y435-F482 HydrophobicContact CD2-CB 4.47Å; Y435-F482 HydrophobicContact CD2-CD1 4.16Å; Y435-F482 AromaticContact CD2-CD2 3.86Å; Y435-F482 HydrophobicContact CD2-CD2 3.86Å; Y435-F482 HydrophobicContact CD2-CE1 4.39Å; Y435-F482 HydrophobicContact CD2-CE2 4.13Å; Y435-F482 AromaticContact CD2-CG 3.89Å; Y435-F482 HydrophobicContact CD2-CG 3.89Å; Y435-F482 HydrophobicContact CD2-CZ 4.39Å; Y435-F482 HydrophobicContact CE1-CD1 4.23Å; Y435-F482 HydrophobicContact CE2-CB 4.21Å; Y435-F482 HydrophobicContact CE2-CD2 4.37Å; Y435-F482 HydrophobicContact CE2-CG 4.13Å; Y435-F482 AromaticContact CG-CD1 3.74Å; Y435-F482 HydrophobicContact CG-CD1 3.74Å; Y435-F482 HydrophobicContact CG-CD2 4.15Å; Y435-F482 AromaticContact CG-CE1 3.71Å; Y435-F482 HydrophobicContact CG-CE1 3.71Å; Y435-F482 HydrophobicContact CG-CE2 4.13Å; Y435-F482 AromaticContact CG-CG 3.97Å; Y435-F482 HydrophobicContact CG-CG 3.97Å; Y435-F482 AromaticContact CG-CZ 3.92Å; Y435-F482 HydrophobicContact CG-CZ 3.92Å
436	V	94.2	Very high	92.8	Very high	64 Å²	64	65.8 Å²	65.8	39%	0.388	36%	0.36	S	S	.	.			trans	-112	125.1	175.8	-174.6	0	0	0	0	108.7	K449	V436-K449 VanDerWaalsContact CG2-C 3.44Å; V436-K449 HydrophobicContact CG2-CB 4.42Å
437	T	89.6	Confident	92.6	Very high	13 Å²	13	67.4 Å²	67.4	8%	0.08	37%	0.365	C	S	.	.			trans	-74.1	138.6	178.3	171.7	0	0	0	0	111.3	R439	T437-R439 HydrophobicContact CG2-CB 4.44Å; T437-R439 PolarHBondContact O-N 3.42Å; T437-R439 WeakPolarHBondContact OG1-CB 3.33Å; T437-R439 WeakPolarHBondContact OG1-CG 3.35Å; T437-R439 PolarHBondContact OG1-N 3.36Å; T437-R439 VanDerWaalsContact OG1-N 3.13Å; T437-R439 PolarHBondContact OG1-NE 3.44Å
438	D	85.5	Confident	92.5	Very high	141 Å²	141	65 Å²	65	75%	0.754	35%	0.349	S	S	*	.			trans	-77.2	-6.3	172	-74.6	-26.9	0	0	0	112.8	T476	D438-T476 HydrophobicContact CB-CG2 4.32Å
439	R	84.1	Confident	92.4	Very high	28 Å²	28	67 Å²	67	11%	0.106	36%	0.355	C	S	.	.	S	Bend	trans	-57.7	137.7	176.5	-66.4	-178.7	-60	128.6	-3.3	111.6	T437 T441 V473	T437-R439 HydrophobicContact CG2-CB 4.44Å; T437-R439 PolarHBondContact O-N 3.42Å; T437-R439 WeakPolarHBondContact OG1-CB 3.33Å; T437-R439 WeakPolarHBondContact OG1-CG 3.35Å; T437-R439 PolarHBondContact OG1-N 3.36Å; T437-R439 VanDerWaalsContact OG1-N 3.13Å; T437-R439 PolarHBondContact OG1-NE 3.44Å; R439-T441 PolarHBondContact O-N 3.32Å; R439-T441 VanDerWaalsContact O-N 3.14Å; R439-V473 HydrophobicContact CB-CG2 4.03Å; R439-V473 HydrophobicContact CG-CG2 4.26Å
440	P	80.1	Confident	92.3	Very high	89 Å²	89	61.7 Å²	61.7	58%	0.578	33%	0.334	S	S	*	.			trans	-60.5	117.9	170.9	-22	32.6	0	0	0	111.7	S105	S105-P440 PolarHBondContact OG-O 3.18Å
441	T	84.4	Confident	92.2	Very high	30 Å²	30	57 Å²	57	18%	0.184	31%	0.311	C	S	.	.			trans	-111.7	103.9	169.2	45.6	0	0	0	0	108.7	R439 N443 R444	R439-T441 PolarHBondContact O-N 3.32Å; R439-T441 VanDerWaalsContact O-N 3.14Å; T441-N443 PolarHBondContact O-N 3.44Å; T441-R444 PolarHBondContact O-N 3.03Å; T441-R444 VanDerWaalsContact OG1-CB 3.26Å; T441-R444 WeakPolarHBondContact OG1-CB 3.42Å; T441-R444 WeakPolarHBondContact OG1-CD 3.48Å
442	P	83	Confident	92.2	Very high	55 Å²	55	55.2 Å²	55.2	36%	0.357	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	134.4	-178.3	-26.7	33.6	0	0	0	111.8	S105 R444	S105-P442 WeakPolarHBondContact OG-CD 3.38Å; P442-R444 PolarHBondContact O-N 3.3Å; P442-R444 VanDerWaalsContact O-N 3.12Å
443	N	86.1	Confident	92.1	Very high	145 Å²	145	50 Å²	50	78%	0.775	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	6.6	175.4	-46.1	-50.9	0	0	0	116.2	W343 T441 P445	W343-N443 PolarHBondContact NE1-O 2.83Å; W343-N443 VanDerWaalsContact NE1-O 3.09Å; T441-N443 PolarHBondContact O-N 3.44Å; N443-P445 VanDerWaalsContact O-CD 3.3Å; N443-P445 WeakPolarHBondContact O-CD 3.31Å
444	R	91.8	Very high	91.9	Very high	32 Å²	32	50 Å²	50	12%	0.121	28%	0.283	C	S	.	.			trans	-76.5	118.9	169.6	-172	177.9	-176.6	148.5	-3.6	110	W343 T441 P442 V448 K449 D454	W343-R444 HydrophobicContact CD2-CB 4.06Å; W343-R444 HydrophobicContact CD2-CG 3.91Å; W343-R444 HydrophobicContact CE3-CB 4.15Å; W343-R444 HydrophobicContact CE3-CG 3.89Å; W343-R444 HydrophobicContact CG-CG 4.26Å; W343-R444 HydrophobicContact CH2-CB 4.1Å; W343-R444 HydrophobicContact CZ2-CB 4.01Å; W343-R444 HydrophobicContact CZ3-CB 4.18Å; W343-R444 HydrophobicContact CZ3-CG 4.32Å; T441-R444 PolarHBondContact O-N 3.03Å; T441-R444 VanDerWaalsContact OG1-CB 3.26Å; T441-R444 WeakPolarHBondContact OG1-CB 3.42Å; T441-R444 WeakPolarHBondContact OG1-CD 3.48Å; P442-R444 PolarHBondContact O-N 3.3Å; P442-R444 VanDerWaalsContact O-N 3.12Å; R444-V448 HydrophobicContact CG-CB 4.06Å; R444-V448 HydrophobicContact CG-CG1 4.27Å; R444-V448 HydrophobicContact CG-CG2 4.15Å; R444-K449 PolarHBondContact NH2-O 3.24Å; R444-D454 IonicContact CZ-OD1 2.78Å; R444-D454 IonicContact CZ-OD2 2.67Å; R444-D454 IonicContact NH1-OD1 3.34Å; R444-D454 PolarHBondContact NH1-OD1 2.9Å; R444-D454 IonicContact NH1-OD2 3.58Å; R444-D454 PolarHBondContact NH1-OD2 3.14Å; R444-D454 IonicContact NH2-OD1 3.64Å; R444-D454 IonicContact NH2-OD2 3.67Å; R444-D454 PolarHBondContact NH2-OD2 3.27Å
445	P	93.3	Very high	91.9	Very high	30 Å²	30	46.1 Å²	46.1	20%	0.195	26%	0.259	C	S	.	.			trans	-62.4	150.8	177.9	-23.4	33	0	0	0	112.9	E355 N443 F447 V448	E355-P445 HydrophobicContact CB-CG 4.49Å; N443-P445 VanDerWaalsContact O-CD 3.3Å; N443-P445 WeakPolarHBondContact O-CD 3.31Å; P445-F447 HydrophobicContact CB-CD1 3.56Å; P445-F447 HydrophobicContact CB-CE1 3.18Å; P445-F447 HydrophobicContact CB-CE2 4.24Å; P445-F447 HydrophobicContact CB-CG 4.26Å; P445-F447 HydrophobicContact CB-CZ 3.55Å; P445-F447 HydrophobicContact CG-CE1 3.82Å; P445-F447 HydrophobicContact CG-CZ 3.78Å; P445-F447 PolarHBondContact O-N 3.28Å; P445-V448 HydrophobicContact CB-CG2 4.01Å; P445-V448 HydrophobicContact CG-CG2 4.22Å; P445-V448 WeakPolarHBondContact O-CB 3.47Å; P445-V448 VanDerWaalsContact O-CG2 3.23Å; P445-V448 WeakPolarHBondContact O-CG2 3.41Å; P445-V448 PolarHBondContact O-N 3.18Å
446	S	92.9	Very high	91.9	Very high	130 Å²	130	44.8 Å²	44.8	91%	0.909	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-15.9	-176.4	60.7	0	0	0	0	114.8	V448	S446-V448 VanDerWaalsContact C-N 3.32Å
447	F	94.4	Very high	91.9	Very high	44 Å²	44	43 Å²	43	19%	0.193	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.4	178.1	62.7	-105.1	0	0	0	113.1	W354 E355 R398 P445	W354-F447 HydrophobicContact CH2-CE2 4.05Å; W354-F447 AromaticContact CH2-CZ 3.8Å; W354-F447 HydrophobicContact CH2-CZ 3.8Å; W354-F447 AromaticContact CZ3-CE2 3.9Å; W354-F447 HydrophobicContact CZ3-CE2 3.9Å; W354-F447 AromaticContact CZ3-CZ 3.7Å; W354-F447 HydrophobicContact CZ3-CZ 3.7Å; E355-F447 HydrophobicContact CB-CE1 4.47Å; E355-F447 HydrophobicContact CB-CZ 4.32Å; R398-F447 VanDerWaalsContact CZ-CD1 3.42Å; P445-F447 HydrophobicContact CB-CD1 3.56Å; P445-F447 HydrophobicContact CB-CE1 3.18Å; P445-F447 HydrophobicContact CB-CE2 4.24Å; P445-F447 HydrophobicContact CB-CG 4.26Å; P445-F447 HydrophobicContact CB-CZ 3.55Å; P445-F447 HydrophobicContact CG-CE1 3.82Å; P445-F447 HydrophobicContact CG-CZ 3.78Å; P445-F447 PolarHBondContact O-N 3.28Å
448	V	96.1	Very high	92.3	Very high	11 Å²	11	42.6 Å²	42.6	7%	0.067	25%	0.246	C	C	.	.			trans	-73.1	129.9	-177.1	-174.2	0	0	0	0	109	W343 R444 P445 S446 D451	W343-V448 HydrophobicContact CB-CB 4.49Å; W343-V448 HydrophobicContact CB-CG1 3.89Å; W343-V448 HydrophobicContact CB-CG2 3.76Å; W343-V448 HydrophobicContact CG-CG2 4.45Å; R444-V448 HydrophobicContact CG-CB 4.06Å; R444-V448 HydrophobicContact CG-CG1 4.27Å; R444-V448 HydrophobicContact CG-CG2 4.15Å; P445-V448 HydrophobicContact CB-CG2 4.01Å; P445-V448 HydrophobicContact CG-CG2 4.22Å; P445-V448 WeakPolarHBondContact O-CB 3.47Å; P445-V448 VanDerWaalsContact O-CG2 3.23Å; P445-V448 WeakPolarHBondContact O-CG2 3.41Å; P445-V448 PolarHBondContact O-N 3.18Å; S446-V448 VanDerWaalsContact C-N 3.32Å; V448-D451 HydrophobicContact CG1-CB 3.81Å
449	K	96.6	Very high	92.9	Very high	84 Å²	84	35.9 Å²	35.9	37%	0.365	21%	0.211	S	C	.	.			trans	-92.6	-137.5	176.7	-48.8	164.8	-172.4	155.1	0	107.7	N338 H339 E403 V436 R444 D451	N338-K449 WeakPolarHBondContact OD1-CB 3.49Å; H339-K449 HydrophobicContact CB-CB 3.85Å; H339-K449 HydrophobicContact CB-CD 4.39Å; H339-K449 HydrophobicContact CB-CG 4.4Å; H339-K449 PolarHBondContact ND1-N 2.68Å; E403-K449 IonicContact OE1-NZ 3.95Å; E403-K449 PolarHBondContact OE1-NZ 3.12Å; V436-K449 VanDerWaalsContact CG2-C 3.44Å; V436-K449 HydrophobicContact CG2-CB 4.42Å; R444-K449 PolarHBondContact NH2-O 3.24Å; K449-D451 PolarHBondContact O-N 3.27Å
450	A	96.9	Very high	93.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-77.5	113.6	171.2	0	0	0	0	0	109.4	T337 N338 H339 F433 Y435	T337-A450 WeakPolarHBondContact CB-O 3.48Å; T337-A450 PolarHBondContact OG1-O 3.04Å; N338-A450 WeakPolarHBondContact OD1-CB 3.3Å; N338-A450 PolarHBondContact OD1-N 3.39Å; N338-A450 PolarHBondContact OD1-O 2.79Å; H339-A450 CarbonylContact C-O 3.57Å; H339-A450 WeakPolarHBondContact CA-O 3.49Å; H339-A450 VanDerWaalsContact CB-O 3.3Å; H339-A450 WeakPolarHBondContact CB-O 3.33Å; H339-A450 PolarHBondContact N-O 3.4Å; F433-A450 HydrophobicContact CD1-CB 3.54Å; F433-A450 HydrophobicContact CE1-CB 3.78Å; Y435-A450 WeakPolarHBondContact O-CB 3.41Å
451	D	97.2	Very high	94.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-88.3	171.1	-172.3	-167.4	36.8	0	0	0	111.3	T337 H339 G342 W343 I344 V448 K449 A453 D454	T337-D451 VanDerWaalsContact CG2-O 3.29Å; T337-D451 WeakPolarHBondContact CG2-O 3.33Å; T337-D451 PolarHBondContact OG1-O 3.04Å; H339-D451 WeakPolarHBondContact O-CA 3.41Å; H339-D451 VanDerWaalsContact O-OD1 3.1Å; G342-D451 WeakPolarHBondContact CA-OD1 3.38Å; G342-D451 PolarHBondContact N-OD1 2.85Å; G342-D451 VanDerWaalsContact N-OD1 3.16Å; W343-D451 WeakPolarHBondContact CB-OD2 3.42Å; W343-D451 PolarHBondContact N-OD1 2.72Å; W343-D451 PolarHBondContact N-OD2 3.42Å; I344-D451 WeakPolarHBondContact CB-OD2 3.22Å; I344-D451 VanDerWaalsContact CG1-OD2 3.3Å; I344-D451 WeakPolarHBondContact CG1-OD2 3.49Å; I344-D451 PolarHBondContact N-OD2 2.89Å; V448-D451 HydrophobicContact CG1-CB 3.81Å; K449-D451 PolarHBondContact O-N 3.27Å; D451-A453 PolarHBondContact O-N 3.14Å; D451-D454 PolarHBondContact N-OD2 3.34Å; D451-D454 WeakPolarHBondContact O-CB 3.49Å; D451-D454 PolarHBondContact O-N 3.03Å; D451-D454 VanDerWaalsContact O-N 3.16Å
452	H	97.6	Very high	94.9	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.037	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	134.2	174.3	-163.6	57.5	0	0	0	111.9	E221 S222 E340 L345 M410 D454	E221-H452 IonicContact OE1-CD2 2.69Å; E221-H452 PolarHBondContact OE1-CD2 3.2Å; E221-H452 IonicContact OE1-CE1 2.65Å; E221-H452 PolarHBondContact OE1-CE1 2.99Å; E221-H452 IonicContact OE1-CG 2.76Å; E221-H452 IonicContact OE1-ND1 3.65Å; E221-H452 IonicContact OE1-NE2 3.63Å; E221-H452 PolarHBondContact OE1-NE2 3.13Å; S222-H452 WeakPolarHBondContact CB-NE2 3.3Å; S222-H452 PolarHBondContact OG-NE2 3.31Å; E340-H452 WeakPolarHBondContact O-CB 3.47Å; E340-H452 IonicContact OE2-CE1 3.21Å; E340-H452 IonicContact OE2-CG 2.63Å; E340-H452 IonicContact OE2-ND1 3.6Å; E340-H452 PolarHBondContact OE2-ND1 3.09Å; L345-H452 HydrophobicContact CD1-CB 4.21Å; L345-H452 HydrophobicContact CG-CB 4.02Å; M410-H452 WeakPolarHBondContact CE-CE1 3.46Å; H452-D454 PolarHBondContact O-N 3.25Å
453	A	96	Very high	95.4	Very high	15 Å²	15	27.5 Å²	27.5	12%	0.124	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	1.2	179.5	0	0	0	0	0	117.3	E221 D451 D455 V456	E221-A453 HydrophobicContact CG-CB 4.21Å; E221-A453 WeakPolarHBondContact OE1-CB 3.23Å; D451-A453 PolarHBondContact O-N 3.14Å; A453-D455 PolarHBondContact O-N 3.41Å; A453-D455 VanDerWaalsContact O-N 3.14Å; A453-V456 HydrophobicContact CB-CG2 4.22Å; A453-V456 WeakPolarHBondContact O-CB 3.41Å; A453-V456 PolarHBondContact O-N 3.03Å; A453-V456 VanDerWaalsContact O-N 3.11Å
454	D	96	Very high	95.9	Very high	10 Å²	10	20.7 Å²	20.7	5%	0.053	12%	0.124	C	C	.	.	H	α-helix	trans	-58.7	-30.2	-179.3	-90.8	-18.4	0	0	0	112.3	F433 R444 D451 H452 F458	F433-D454 HydrophobicContact CE1-CB 3.95Å; R444-D454 IonicContact CZ-OD1 2.78Å; R444-D454 IonicContact CZ-OD2 2.67Å; R444-D454 IonicContact NH1-OD1 3.34Å; R444-D454 PolarHBondContact NH1-OD1 2.9Å; R444-D454 IonicContact NH1-OD2 3.58Å; R444-D454 PolarHBondContact NH1-OD2 3.14Å; R444-D454 IonicContact NH2-OD1 3.64Å; R444-D454 IonicContact NH2-OD2 3.67Å; R444-D454 PolarHBondContact NH2-OD2 3.27Å; D451-D454 PolarHBondContact N-OD2 3.34Å; D451-D454 WeakPolarHBondContact O-CB 3.49Å; D451-D454 PolarHBondContact O-N 3.03Å; D451-D454 VanDerWaalsContact O-N 3.16Å; H452-D454 PolarHBondContact O-N 3.25Å; D454-F458 VanDerWaalsContact O-CD2 3.23Å; D454-F458 WeakPolarHBondContact O-CD2 3.49Å
455	D	97.3	Very high	96	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-70.6	-29.5	-179.4	71.6	-26.8	0	0	0	112.8	Q247 Y431 F433 A453 G457 F458 M459 M486	Q247-D455 VanDerWaalsContact NE2-CG 3.29Å; Q247-D455 PolarHBondContact NE2-OD2 3.13Å; Y431-D455 PolarHBondContact OH-OD2 3.06Å; F433-D455 HydrophobicContact CB-CB 4.1Å; F433-D455 HydrophobicContact CD1-CB 3.98Å; F433-D455 HydrophobicContact CD2-CB 3.34Å; F433-D455 HydrophobicContact CE1-CB 4.23Å; F433-D455 HydrophobicContact CE2-CB 3.55Å; F433-D455 HydrophobicContact CG-CB 3.55Å; F433-D455 HydrophobicContact CZ-CB 4.03Å; A453-D455 PolarHBondContact O-N 3.41Å; A453-D455 VanDerWaalsContact O-N 3.14Å; D455-G457 PolarHBondContact O-N 3.45Å; D455-F458 PolarHBondContact O-N 2.9Å; D455-F458 VanDerWaalsContact O-N 3.16Å; D455-M459 PolarHBondContact O-N 3.48Å; D455-M486 HydrophobicContact CB-CE 3.62Å; D455-M486 HydrophobicContact CB-SD 4.37Å; D455-M486 VanDerWaalsContact O-CE 3.27Å; D455-M486 WeakPolarHBondContact O-CE 3.36Å
456	V	97.2	Very high	95.9	Very high	12 Å²	12	21.1 Å²	21.1	7%	0.073	13%	0.127	C	C	.	.	H	α-helix	trans	-59.7	-44.1	-179.5	-178	0	0	0	0	112.1	W139 Y153 E221 A453 F458 M459 F460	W139-V456 HydrophobicContact CH2-CG1 4.07Å; W139-V456 HydrophobicContact CH2-CG2 4.19Å; W139-V456 HydrophobicContact CZ2-CG1 3.78Å; W139-V456 HydrophobicContact CZ2-CG2 4.37Å; Y153-V456 HydrophobicContact CD1-CG1 4.2Å; Y153-V456 HydrophobicContact CE1-CG1 3.77Å; E221-V456 HydrophobicContact CB-CG2 3.53Å; E221-V456 HydrophobicContact CG-CG2 3.42Å; E221-V456 VanDerWaalsContact CG-CG2 3.42Å; A453-V456 HydrophobicContact CB-CG2 4.22Å; A453-V456 WeakPolarHBondContact O-CB 3.41Å; A453-V456 PolarHBondContact O-N 3.03Å; A453-V456 VanDerWaalsContact O-N 3.11Å; V456-F458 VanDerWaalsContact C-N 3.28Å; V456-F458 PolarHBondContact O-N 3.44Å; V456-M459 PolarHBondContact O-N 3.36Å; V456-F460 HydrophobicContact CG1-CD2 3.71Å; V456-F460 HydrophobicContact CG1-CE2 3.96Å; V456-F460 PolarHBondContact O-N 3.48Å
457	G	94.8	Very high	95.7	Very high	25 Å²	25	16.5 Å²	16.5	26%	0.258	10%	0.099	S	C	.	.	H	α-helix	trans	-61.6	-38.2	179	0	0	0	0	0	112.1	D455 G461 A462	D455-G457 PolarHBondContact O-N 3.45Å; G457-G461 PolarHBondContact O-N 3.25Å; G457-A462 WeakPolarHBondContact O-CB 3.35Å; G457-A462 PolarHBondContact O-N 3.3Å
458	F	97.3	Very high	95.5	Very high	6 Å²	6	16.5 Å²	16.5	3%	0.026	10%	0.1	C	C	.	.	H	α-helix	trans	-72.3	-40	176.7	-70.1	-78.7	0	0	0	112.1	F433 Y435 D454 D455 V456 G461 D479 F482 S483 M486	F433-F458 HydrophobicContact CE2-CD2 4.2Å; F433-F458 AromaticContact CZ-CD2 3.64Å; F433-F458 HydrophobicContact CZ-CD2 3.64Å; F433-F458 HydrophobicContact CZ-CE2 4.01Å; F433-F458 HydrophobicContact CZ-CG 4.48Å; Y435-F458 HydrophobicContact CD1-CE1 4.14Å; Y435-F458 AromaticContact CD1-CE2 3.93Å; Y435-F458 HydrophobicContact CD1-CE2 3.93Å; Y435-F458 AromaticContact CD1-CZ 3.59Å; Y435-F458 HydrophobicContact CD1-CZ 3.59Å; Y435-F458 AromaticContact CE1-CE1 3.83Å; Y435-F458 HydrophobicContact CE1-CE1 3.83Å; Y435-F458 HydrophobicContact CE1-CE2 4.27Å; Y435-F458 AromaticContact CE1-CZ 3.46Å; Y435-F458 HydrophobicContact CE1-CZ 3.46Å; Y435-F458 VanDerWaalsContact CE1-CZ 3.46Å; D454-F458 VanDerWaalsContact O-CD2 3.23Å; D454-F458 WeakPolarHBondContact O-CD2 3.49Å; D455-F458 PolarHBondContact O-N 2.9Å; D455-F458 VanDerWaalsContact O-N 3.16Å; V456-F458 VanDerWaalsContact C-N 3.28Å; V456-F458 PolarHBondContact O-N 3.44Å; F458-G461 PolarHBondContact O-N 2.89Å; F458-D479 HydrophobicContact CE1-CB 4.04Å; F458-F482 HydrophobicContact CB-CD1 4.38Å; F458-F482 HydrophobicContact CB-CE1 4.39Å; F458-F482 AromaticContact CD1-CD1 3.61Å; F458-F482 HydrophobicContact CD1-CD1 3.61Å; F458-F482 HydrophobicContact CD1-CE1 4.27Å; F458-F482 HydrophobicContact CD2-CD1 4.43Å; F458-F482 HydrophobicContact CD2-CE1 4.35Å; F458-F482 AromaticContact CE1-CD1 3.94Å; F458-F482 HydrophobicContact CE1-CD1 3.94Å; F458-F482 AromaticContact CG-CD1 3.89Å; F458-F482 HydrophobicContact CG-CD1 3.89Å; F458-F482 HydrophobicContact CG-CE1 4.08Å; F458-F482 HydrophobicContact CZ-CD1 4.49Å; F458-S483 PolarHBondContact O-OG 3.34Å; F458-M486 HydrophobicContact CB-SD 3.55Å; F458-M486 VanDerWaalsContact CB-SD 3.55Å
459	M	97.9	Very high	95.4	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.4	-41	175.2	-172.9	-151.3	64.2	0	0	112.2	W139 Q247 D455 V456 G461 M486 M487 W490	W139-M459 HydrophobicContact CE3-CE 3.88Å; W139-M459 HydrophobicContact CH2-CE 4.06Å; W139-M459 HydrophobicContact CZ3-CE 3.62Å; W139-M459 HydrophobicContact CZ3-SD 3.98Å; Q247-M459 PolarHBondContact OE1-SD 3.23Å; D455-M459 PolarHBondContact O-N 3.48Å; V456-M459 PolarHBondContact O-N 3.36Å; M459-G461 VanDerWaalsContact C-N 3.27Å; M459-G461 PolarHBondContact O-N 2.95Å; M459-M486 HydrophobicContact CB-CE 3.87Å; M459-M486 HydrophobicContact CB-SD 4.24Å; M459-M487 WeakPolarHBondContact O-CG 3.35Å; M459-W490 HydrophobicContact CG-CB 4.18Å; M459-W490 VanDerWaalsContact CG-CD1 3.44Å; M459-W490 HydrophobicContact CG-CD2 4.05Å; M459-W490 HydrophobicContact CG-CG 3.65Å; M459-W490 HydrophobicContact SD-CG 4.02Å; M459-W490 PolarHBondContact SD-NE1 2.86Å
460	F	98.1	Very high	95.3	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-5.5	178.1	-87.3	-75	0	0	0	114.3	W139 Y153 S157 T166 I168 V456 W465	W139-F460 HydrophobicContact CB-CZ 4.03Å; W139-F460 AromaticContact CD1-CZ 3.78Å; W139-F460 AromaticContact CD2-CE2 3.68Å; W139-F460 HydrophobicContact CD2-CE2 3.68Å; W139-F460 AromaticContact CD2-CZ 3.6Å; W139-F460 HydrophobicContact CD2-CZ 3.6Å; W139-F460 AromaticContact CE2-CE2 3.55Å; W139-F460 AromaticContact CE2-CZ 3.89Å; W139-F460 HydrophobicContact CE3-CE2 4.1Å; W139-F460 HydrophobicContact CE3-CZ 4.13Å; W139-F460 HydrophobicContact CG-CE2 4.07Å; W139-F460 AromaticContact CG-CZ 3.53Å; W139-F460 HydrophobicContact CG-CZ 3.53Å; W139-F460 HydrophobicContact CH2-CE2 4.25Å; W139-F460 AromaticContact CZ2-CE2 3.87Å; W139-F460 HydrophobicContact CZ2-CE2 3.87Å; W139-F460 HydrophobicContact CZ3-CE2 4.37Å; W139-F460 AromaticContact NE1-CE2 3.82Å; W139-F460 AromaticContact NE1-CZ 3.93Å; Y153-F460 AromaticContact CD1-CD2 3.82Å; Y153-F460 HydrophobicContact CD1-CD2 3.82Å; Y153-F460 AromaticContact CD1-CE2 3.48Å; Y153-F460 HydrophobicContact CD1-CE2 3.48Å; Y153-F460 VanDerWaalsContact CD1-CE2 3.48Å; Y153-F460 HydrophobicContact CD1-CZ 4.05Å; Y153-F460 HydrophobicContact CE1-CE2 4.2Å; Y153-F460 HydrophobicContact CG-CE2 4.1Å; Y153-F460 HydrophobicContact CG-CZ 4.21Å; S157-F460 WeakPolarHBondContact CB-O 3.26Å; T166-F460 HydrophobicContact CG2-CE1 4.42Å; I168-F460 HydrophobicContact CD1-CE1 3.92Å; I168-F460 HydrophobicContact CD1-CZ 4.36Å; V456-F460 HydrophobicContact CG1-CD2 3.71Å; V456-F460 HydrophobicContact CG1-CE2 3.96Å; V456-F460 PolarHBondContact O-N 3.48Å; F460-W465 HydrophobicContact CB-CZ2 3.56Å; F460-W465 HydrophobicContact CG-CZ2 4.18Å; F460-W465 PolarHBondContact O-NE1 3.38Å
461	G	97.1	Very high	95	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	42.6	-174.9	0	0	0	0	0	112.9	S157 G457 F458 M459 C463 F464 S483	S157-G461 PolarHBondContact OG-O 3.21Å; G457-G461 PolarHBondContact O-N 3.25Å; F458-G461 PolarHBondContact O-N 2.89Å; M459-G461 VanDerWaalsContact C-N 3.27Å; M459-G461 PolarHBondContact O-N 2.95Å; G461-C463 PolarHBondContact O-N 2.89Å; G461-C463 VanDerWaalsContact O-N 3.15Å; G461-F464 WeakPolarHBondContact O-CA 3.39Å; G461-F464 WeakPolarHBondContact O-CB 3.4Å; G461-F464 PolarHBondContact O-N 3.32Å; G461-S483 WeakPolarHBondContact CA-OG 3.37Å
462	A	95.4	Very high	94.5	Very high	6 Å²	6	23.5 Å²	23.5	5%	0.05	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-57.7	-31.3	-173.9	0	0	0	0	0	113.7	G457 F464 W465 I471	G457-A462 WeakPolarHBondContact O-CB 3.35Å; G457-A462 PolarHBondContact O-N 3.3Å; A462-F464 PolarHBondContact O-N 3.32Å; A462-W465 VanDerWaalsContact CA-CD2 3.48Å; A462-W465 HydrophobicContact CB-CD2 3.93Å; A462-W465 HydrophobicContact CB-CE3 3.8Å; A462-W465 HydrophobicContact CB-CH2 4.09Å; A462-W465 HydrophobicContact CB-CZ2 4.2Å; A462-W465 HydrophobicContact CB-CZ3 3.86Å; A462-W465 WeakPolarHBondContact O-CB 3.22Å; A462-W465 PolarHBondContact O-N 2.98Å; A462-W465 VanDerWaalsContact O-N 3.16Å; A462-I471 HydrophobicContact CB-CD1 4.08Å; A462-I471 HydrophobicContact CB-CG1 4Å
463	C	94.2	Very high	94	Very high	18 Å²	18	24.8 Å²	24.8	12%	0.122	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-61.6	-24.1	173	-69.9	0	0	0	0	113.9	G461 C475 E480	G461-C463 PolarHBondContact O-N 2.89Å; G461-C463 VanDerWaalsContact O-N 3.15Å; C463-C475 WeakPolarHBondContact CA-SG 3.48Å; C463-C475 HydrophobicContact CB-CB 3.57Å; C463-C475 WeakPolarHBondContact CB-SG 3.05Å; C463-C475 WeakPolarHBondContact SG-CB 3.42Å; C463-C475 CovalentContact SG-SG 2.03Å; C463-C475 PolarHBondContact SG-SG 3.29Å; C463-E480 HydrophobicContact CB-CG 4.17Å
464	F	95.8	Very high	93.6	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-96	-4.5	-179.8	-50	-66.4	0	0	0	113.1	V43 K44 Y161 G461 A462 E480 R484 M487	V43-F464 HydrophobicContact CG1-CB 4.25Å; K44-F464 HydrophobicContact CB-CB 4.26Å; K44-F464 HydrophobicContact CB-CD1 4.43Å; K44-F464 WeakPolarHBondContact O-CD1 3.42Å; Y161-F464 HydrophobicContact CE2-CB 4.35Å; Y161-F464 HydrophobicContact CE2-CD1 4.35Å; Y161-F464 AromaticContact CE2-CD2 3.88Å; Y161-F464 HydrophobicContact CE2-CD2 3.88Å; Y161-F464 HydrophobicContact CE2-CE2 4.3Å; Y161-F464 AromaticContact CE2-CG 3.92Å; Y161-F464 HydrophobicContact CE2-CG 3.92Å; G461-F464 WeakPolarHBondContact O-CA 3.39Å; G461-F464 WeakPolarHBondContact O-CB 3.4Å; G461-F464 PolarHBondContact O-N 3.32Å; A462-F464 PolarHBondContact O-N 3.32Å; F464-E480 HydrophobicContact CE1-CB 4.04Å; F464-E480 HydrophobicContact CE1-CG 3.81Å; F464-E480 HydrophobicContact CZ-CB 3.75Å; F464-E480 HydrophobicContact CZ-CG 3.95Å; F464-R484 HydrophobicContact CE2-CG 4.04Å; F464-R484 HydrophobicContact CZ-CG 3.91Å; F464-R484 VanDerWaalsContact CZ-NH1 3.33Å; F464-M487 HydrophobicContact CD2-CE 4Å; F464-M487 HydrophobicContact CE2-CE 3.78Å
465	W	94.9	Very high	93.4	Very high	9 Å²	9	32.1 Å²	32.1	3%	0.034	18%	0.179	C	C	.	.			trans	-63.6	139.9	177	-66.4	-15.4	0	0	0	112.2	K44 M106 D154 F460 A462 I469 R470	K44-W465 PolarHBondContact NZ-O 3.18Å; M106-W465 HydrophobicContact CE-CZ3 3.92Å; D154-W465 HydrophobicContact CB-CD2 4.21Å; D154-W465 HydrophobicContact CB-CG 4.14Å; D154-W465 HydrophobicContact CB-CZ2 4.46Å; D154-W465 PolarHBondContact O-NE1 3.44Å; F460-W465 HydrophobicContact CB-CZ2 3.56Å; F460-W465 HydrophobicContact CG-CZ2 4.18Å; F460-W465 PolarHBondContact O-NE1 3.38Å; A462-W465 VanDerWaalsContact CA-CD2 3.48Å; A462-W465 HydrophobicContact CB-CD2 3.93Å; A462-W465 HydrophobicContact CB-CE3 3.8Å; A462-W465 HydrophobicContact CB-CH2 4.09Å; A462-W465 HydrophobicContact CB-CZ2 4.2Å; A462-W465 HydrophobicContact CB-CZ3 3.86Å; A462-W465 WeakPolarHBondContact O-CB 3.22Å; A462-W465 PolarHBondContact O-N 2.98Å; A462-W465 VanDerWaalsContact O-N 3.16Å; W465-I469 WeakPolarHBondContact CB-O 3.49Å; W465-I469 HydrophobicContact CD2-CG2 4.09Å; W465-I469 HydrophobicContact CE3-CB 4.48Å; W465-I469 HydrophobicContact CE3-CG1 4.1Å; W465-I469 HydrophobicContact CE3-CG2 3.81Å; W465-I469 HydrophobicContact CH2-CD1 4.47Å; W465-I469 HydrophobicContact CZ3-CD1 3.96Å; W465-I469 HydrophobicContact CZ3-CG1 3.96Å; W465-I469 HydrophobicContact CZ3-CG2 4.07Å; W465-R470 HydrophobicContact CB-CB 4.49Å
466	N	90.4	Very high	93.2	Very high	63 Å²	63	34.3 Å²	34.3	34%	0.337	19%	0.192	S	C	.	.			trans	-148.7	12.9	-177.3	65.2	-8.4	0	0	0	112.9	T42 K44	T42-N466 PolarHBondContact O-ND2 3.35Å; T42-N466 PolarHBondContact O-OD1 3.22Å; K44-N466 HydrophobicContact CD-CB 4.17Å; K44-N466 HydrophobicContact CG-CB 4.2Å
467	G	88.5	Confident	93.1	Very high	32 Å²	32	39.3 Å²	39.3	33%	0.33	22%	0.222	S	C	.	.	S	Bend	trans	-107.6	-136.5	-174.1	0	0	0	0	0	113.2	I469	G467-I469 PolarHBondContact O-N 3.14Å
468	H	91.3	Very high	93.2	Very high	45 Å²	45	42.6 Å²	42.6	21%	0.208	23%	0.231	C	C	.	.	S	Bend	trans	-62.2	-18.7	-179.6	69.7	-73.1	0	0	0	114.3	Q86 S151 D154	Q86-H468 PolarHBondContact NE2-CD2 2.92Å; Q86-H468 PolarHBondContact NE2-CE1 2.82Å; Q86-H468 PolarHBondContact NE2-NE2 3.27Å; S151-H468 PolarHBondContact O-CD2 3.32Å; S151-H468 PolarHBondContact O-NE2 3.43Å; D154-H468 IonicContact OD2-CE1 3.93Å; D154-H468 IonicContact OD2-ND1 3.94Å; D154-H468 PolarHBondContact OD2-ND1 3.22Å
469	I	93.4	Very high	93.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.3	175.2	-167.8	165.2	0	0	0	108.2	M106 D107 F108 Q152 D154 W465 G467	M106-I469 HydrophobicContact CE-CD1 3.11Å; M106-I469 HydrophobicContact CE-CG1 3.7Å; D107-I469 WeakPolarHBondContact O-CA 3.35Å; F108-I469 HydrophobicContact CB-CD1 4.23Å; F108-I469 HydrophobicContact CB-CG1 4.06Å; F108-I469 HydrophobicContact CD2-CB 4.1Å; F108-I469 HydrophobicContact CD2-CD1 3.9Å; F108-I469 HydrophobicContact CD2-CG1 4.08Å; F108-I469 HydrophobicContact CG-CD1 4.08Å; F108-I469 HydrophobicContact CG-CG1 4.32Å; Q152-I469 WeakPolarHBondContact O-CD1 3.33Å; D154-I469 HydrophobicContact CB-CG2 3.74Å; W465-I469 WeakPolarHBondContact CB-O 3.49Å; W465-I469 HydrophobicContact CD2-CG2 4.09Å; W465-I469 HydrophobicContact CE3-CB 4.48Å; W465-I469 HydrophobicContact CE3-CG1 4.1Å; W465-I469 HydrophobicContact CE3-CG2 3.81Å; W465-I469 HydrophobicContact CH2-CD1 4.47Å; W465-I469 HydrophobicContact CZ3-CD1 3.96Å; W465-I469 HydrophobicContact CZ3-CG1 3.96Å; W465-I469 HydrophobicContact CZ3-CG2 4.07Å; G467-I469 PolarHBondContact O-N 3.14Å
470	R	93.6	Very high	93	Very high	122 Å²	122	45.2 Å²	45.2	46%	0.46	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	154.7	176	61.7	-174.2	178.4	177.8	-0.3	111.1	D107 W465	D107-R470 HydrophobicContact CB-CG 3.81Å; D107-R470 PolarHBondContact N-O 3.36Å; D107-R470 PolarHBondContact O-N 3.33Å; D107-R470 IonicContact OD2-CZ 3.24Å; D107-R470 IonicContact OD2-NE 3.55Å; D107-R470 PolarHBondContact OD2-NE 3.15Å; D107-R470 IonicContact OD2-NH2 2.68Å; D107-R470 PolarHBondContact OD2-NH2 3.07Å; W465-R470 HydrophobicContact CB-CB 4.49Å
471	I	91.1	Very high	92.9	Very high	24 Å²	24	52.3 Å²	52.3	12%	0.123	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.7	166.9	-56.2	-55.8	0	0	0	108.4	M106 A462 V473	M106-I471 HydrophobicContact CG-CD1 3.87Å; A462-I471 HydrophobicContact CB-CD1 4.08Å; A462-I471 HydrophobicContact CB-CG1 4Å; I471-V473 VanDerWaalsContact C-N 3.34Å; I471-V473 HydrophobicContact CG2-CG2 3.52Å; I471-V473 VanDerWaalsContact CG2-O 3.31Å; I471-V473 WeakPolarHBondContact CG2-O 3.29Å
472	N	86.9	Confident	93	Very high	95 Å²	95	55 Å²	55	51%	0.508	28%	0.282	S	S	.	.	S	Bend	trans	-89.1	-2.2	-177.2	70.6	9.2	0	0	0	113.6	S105 D107	S105-N472 VanDerWaalsContact C-OD1 3.3Å; S105-N472 WeakPolarHBondContact CA-OD1 3.15Å; S105-N472 VanDerWaalsContact CB-OD1 3.27Å; S105-N472 WeakPolarHBondContact CB-OD1 3.26Å; S105-N472 VanDerWaalsContact O-CG 3.24Å; S105-N472 PolarHBondContact O-N 3.36Å; S105-N472 PolarHBondContact O-OD1 3.23Å; D107-N472 HydrophobicContact CB-CB 4.16Å
473	V	86.8	Confident	93.1	Very high	35 Å²	35	54.7 Å²	54.7	21%	0.212	28%	0.28	C	S	.	.	S	Bend	trans	-112.5	153.1	172.3	-66.4	0	0	0	0	110.7	R439 I471 C475	R439-V473 HydrophobicContact CB-CG2 4.03Å; R439-V473 HydrophobicContact CG-CG2 4.26Å; I471-V473 VanDerWaalsContact C-N 3.34Å; I471-V473 HydrophobicContact CG2-CG2 3.52Å; I471-V473 VanDerWaalsContact CG2-O 3.31Å; I471-V473 WeakPolarHBondContact CG2-O 3.29Å; V473-C475 PolarHBondContact O-N 2.99Å
474	N	87.6	Confident	93.2	Very high	152 Å²	152	57.7 Å²	57.7	81%	0.813	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-68.1	130.3	177.5	-72.6	-14.6	0	0	0	110.5
475	C	91.8	Very high	93.4	Very high	27 Å²	27	60.3 Å²	60.3	18%	0.182	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-74.9	146	165.2	-71.5	0	0	0	0	110.7	C463 V473 D479 E480	C463-C475 WeakPolarHBondContact CA-SG 3.48Å; C463-C475 HydrophobicContact CB-CB 3.57Å; C463-C475 WeakPolarHBondContact CB-SG 3.05Å; C463-C475 WeakPolarHBondContact SG-CB 3.42Å; C463-C475 CovalentContact SG-SG 2.03Å; C463-C475 PolarHBondContact SG-SG 3.29Å; V473-C475 PolarHBondContact O-N 2.99Å; C475-D479 HydrophobicContact CB-CB 4.21Å; C475-E480 HydrophobicContact CB-CG 4.37Å
476	T	93.9	Very high	93.5	Very high	47 Å²	47	60.3 Å²	60.3	29%	0.288	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-78.2	163.7	172.3	70.1	0	0	0	0	110.7	D438 E478 D479 E480	D438-T476 HydrophobicContact CB-CG2 4.32Å; T476-E478 PolarHBondContact O-N 3.37Å; T476-E478 PolarHBondContact OG1-N 3.35Å; T476-D479 WeakPolarHBondContact CB-OD2 3.45Å; T476-D479 WeakPolarHBondContact CG2-OD2 3.29Å; T476-D479 PolarHBondContact N-OD2 3Å; T476-D479 PolarHBondContact O-N 3.22Å; T476-D479 PolarHBondContact OG1-N 3.06Å; T476-D479 PolarHBondContact OG1-OD2 3.14Å; T476-E480 PolarHBondContact O-N 3.42Å; T476-E480 VanDerWaalsContact O-N 3.1Å
477	V	94.3	Very high	93.9	Very high	116 Å²	116	57.3 Å²	57.3	70%	0.703	29%	0.289	S	S	*	.	H	α-helix	trans	-60.8	-33.3	173.7	176	0	0	0	0	111.3	R481	V477-R481 WeakPolarHBondContact O-CB 3.35Å; V477-R481 PolarHBondContact O-N 3.19Å
478	E	96.1	Very high	94.4	Very high	94 Å²	94	57.8 Å²	57.8	44%	0.439	29%	0.287	S	S	.	.	H	α-helix	trans	-71.3	-41	177.9	-160.7	62.2	-157.4	0	0	111.1	Y435 T476 E480 R481 F482	Y435-E478 HydrophobicContact CE2-CG 4.35Å; T476-E478 PolarHBondContact O-N 3.37Å; T476-E478 PolarHBondContact OG1-N 3.35Å; E478-E480 VanDerWaalsContact C-N 3.33Å; E478-E480 PolarHBondContact O-N 2.97Å; E478-R481 PolarHBondContact O-N 3.07Å; E478-R481 IonicContact OE1-NH1 2.68Å; E478-R481 IonicContact OE2-NH1 3.3Å; E478-F482 VanDerWaalsContact O-CB 3.31Å; E478-F482 WeakPolarHBondContact O-CB 3.13Å; E478-F482 PolarHBondContact O-N 3.43Å
479	D	95.7	Very high	94.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.4	-45.5	174.2	-62.1	-39.7	0	0	0	111.4	Y435 F458 C475 T476 F482 S483	Y435-D479 VanDerWaalsContact CE1-OD1 3.31Å; Y435-D479 WeakPolarHBondContact CE1-OD1 3.27Å; Y435-D479 PolarHBondContact OH-N 2.77Å; Y435-D479 PolarHBondContact OH-OD1 2.88Å; F458-D479 HydrophobicContact CE1-CB 4.04Å; C475-D479 HydrophobicContact CB-CB 4.21Å; T476-D479 WeakPolarHBondContact CB-OD2 3.45Å; T476-D479 WeakPolarHBondContact CG2-OD2 3.29Å; T476-D479 PolarHBondContact N-OD2 3Å; T476-D479 PolarHBondContact O-N 3.22Å; T476-D479 PolarHBondContact OG1-N 3.06Å; T476-D479 PolarHBondContact OG1-OD2 3.14Å; D479-F482 PolarHBondContact O-N 2.92Å; D479-S483 VanDerWaalsContact O-CB 3.26Å; D479-S483 WeakPolarHBondContact O-CB 3.32Å; D479-S483 PolarHBondContact O-N 2.81Å
480	E	96	Very high	95	Very high	62 Å²	62	63.2 Å²	63.2	29%	0.29	31%	0.307	S	S	.	.	H	α-helix	trans	-64	-41.5	177.3	-72.5	-172.2	-171.3	0	0	112.5	C463 F464 C475 T476 E478 R484	C463-E480 HydrophobicContact CB-CG 4.17Å; F464-E480 HydrophobicContact CE1-CB 4.04Å; F464-E480 HydrophobicContact CE1-CG 3.81Å; F464-E480 HydrophobicContact CZ-CB 3.75Å; F464-E480 HydrophobicContact CZ-CG 3.95Å; C475-E480 HydrophobicContact CB-CG 4.37Å; T476-E480 PolarHBondContact O-N 3.42Å; T476-E480 VanDerWaalsContact O-N 3.1Å; E478-E480 VanDerWaalsContact C-N 3.33Å; E478-E480 PolarHBondContact O-N 2.97Å; E480-R484 WeakPolarHBondContact O-CG 3.34Å; E480-R484 PolarHBondContact O-N 3.29Å; E480-R484 PolarHBondContact O-NE 2.87Å; E480-R484 IonicContact OE2-NH1 2.78Å; E480-R484 PolarHBondContact OE2-NH1 3.32Å; E480-R484 IonicContact OE2-NH2 3.25Å
481	R	96.9	Very high	95.2	Very high	149 Å²	149	57.4 Å²	57.4	56%	0.562	29%	0.285	S	S	*	.	H	α-helix	trans	-65.3	-44.8	178.1	-178.2	-173.7	179.7	-167.2	-0.3	111	V477 E478 R484 T485	V477-R481 WeakPolarHBondContact O-CB 3.35Å; V477-R481 PolarHBondContact O-N 3.19Å; E478-R481 PolarHBondContact O-N 3.07Å; E478-R481 IonicContact OE1-NH1 2.68Å; E478-R481 IonicContact OE2-NH1 3.3Å; R481-R484 PolarHBondContact O-N 3.4Å; R481-T485 PolarHBondContact O-N 3.36Å; R481-T485 PolarHBondContact O-OG1 3.43Å
482	F	97.5	Very high	95.6	Very high	57 Å²	57	58.5 Å²	58.5	25%	0.25	30%	0.295	C	S	.	.	H	α-helix	trans	-65.7	-43.3	178.7	-176.2	-98.1	0	0	0	110.9	F433 Y435 F458 E478 D479 R484 T485 M486	F433-F482 HydrophobicContact CD2-CE1 4.33Å; F433-F482 HydrophobicContact CD2-CZ 4.2Å; F433-F482 AromaticContact CE2-CE1 3.36Å; F433-F482 HydrophobicContact CE2-CE1 3.36Å; F433-F482 AromaticContact CE2-CZ 3.65Å; F433-F482 HydrophobicContact CE2-CZ 3.65Å; F433-F482 AromaticContact CZ-CE1 3.71Å; F433-F482 HydrophobicContact CZ-CE1 3.71Å; F433-F482 HydrophobicContact CZ-CZ 4.21Å; Y435-F482 VanDerWaalsContact CB-CZ 3.43Å; Y435-F482 AromaticContact CD1-CD1 3.77Å; Y435-F482 HydrophobicContact CD1-CD1 3.77Å; Y435-F482 AromaticContact CD1-CE1 3.95Å; Y435-F482 HydrophobicContact CD1-CE1 3.95Å; Y435-F482 HydrophobicContact CD1-CG 4.27Å; Y435-F482 HydrophobicContact CD2-CB 4.47Å; Y435-F482 HydrophobicContact CD2-CD1 4.16Å; Y435-F482 AromaticContact CD2-CD2 3.86Å; Y435-F482 HydrophobicContact CD2-CD2 3.86Å; Y435-F482 HydrophobicContact CD2-CE1 4.39Å; Y435-F482 HydrophobicContact CD2-CE2 4.13Å; Y435-F482 AromaticContact CD2-CG 3.89Å; Y435-F482 HydrophobicContact CD2-CG 3.89Å; Y435-F482 HydrophobicContact CD2-CZ 4.39Å; Y435-F482 HydrophobicContact CE1-CD1 4.23Å; Y435-F482 HydrophobicContact CE2-CB 4.21Å; Y435-F482 HydrophobicContact CE2-CD2 4.37Å; Y435-F482 HydrophobicContact CE2-CG 4.13Å; Y435-F482 AromaticContact CG-CD1 3.74Å; Y435-F482 HydrophobicContact CG-CD1 3.74Å; Y435-F482 HydrophobicContact CG-CD2 4.15Å; Y435-F482 AromaticContact CG-CE1 3.71Å; Y435-F482 HydrophobicContact CG-CE1 3.71Å; Y435-F482 HydrophobicContact CG-CE2 4.13Å; Y435-F482 AromaticContact CG-CG 3.97Å; Y435-F482 HydrophobicContact CG-CG 3.97Å; Y435-F482 AromaticContact CG-CZ 3.92Å; Y435-F482 HydrophobicContact CG-CZ 3.92Å; F458-F482 HydrophobicContact CB-CD1 4.38Å; F458-F482 HydrophobicContact CB-CE1 4.39Å; F458-F482 AromaticContact CD1-CD1 3.61Å; F458-F482 HydrophobicContact CD1-CD1 3.61Å; F458-F482 HydrophobicContact CD1-CE1 4.27Å; F458-F482 HydrophobicContact CD2-CD1 4.43Å; F458-F482 HydrophobicContact CD2-CE1 4.35Å; F458-F482 AromaticContact CE1-CD1 3.94Å; F458-F482 HydrophobicContact CE1-CD1 3.94Å; F458-F482 AromaticContact CG-CD1 3.89Å; F458-F482 HydrophobicContact CG-CD1 3.89Å; F458-F482 HydrophobicContact CG-CE1 4.08Å; F458-F482 HydrophobicContact CZ-CD1 4.49Å; E478-F482 VanDerWaalsContact O-CB 3.31Å; E478-F482 WeakPolarHBondContact O-CB 3.13Å; E478-F482 PolarHBondContact O-N 3.43Å; D479-F482 PolarHBondContact O-N 2.92Å; F482-R484 PolarHBondContact O-N 3.4Å; F482-T485 WeakPolarHBondContact O-CB 3.32Å; F482-T485 PolarHBondContact O-N 3.16Å; F482-T485 VanDerWaalsContact O-N 3.08Å; F482-M486 PolarHBondContact O-N 3.43Å
483	S	97.6	Very high	96.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-56.4	-47.5	173	179.5	0	0	0	0	112.6	F458 G461 D479 T485 M486 M487	F458-S483 PolarHBondContact O-OG 3.34Å; G461-S483 WeakPolarHBondContact CA-OG 3.37Å; D479-S483 VanDerWaalsContact O-CB 3.26Å; D479-S483 WeakPolarHBondContact O-CB 3.32Å; D479-S483 PolarHBondContact O-N 2.81Å; S483-T485 VanDerWaalsContact C-N 3.28Å; S483-T485 PolarHBondContact O-N 2.8Å; S483-M486 PolarHBondContact O-N 3.37Å; S483-M487 WeakPolarHBondContact O-CB 3.41Å; S483-M487 WeakPolarHBondContact O-CG 3.43Å; S483-M487 PolarHBondContact O-N 3.12Å
484	R	98.1	Very high	96.7	Very high	81 Å²	81	52.6 Å²	52.6	31%	0.306	26%	0.262	S	S	.	.	H	α-helix	trans	-60.3	-38.2	175.5	-75.3	-178.3	-71.6	-102.2	-2.7	112.3	Y161 F464 E480 R481 F482 M487 S488	Y161-R484 HydrophobicContact CD1-CG 4.41Å; Y161-R484 HydrophobicContact CE1-CG 4.22Å; F464-R484 HydrophobicContact CE2-CG 4.04Å; F464-R484 HydrophobicContact CZ-CG 3.91Å; F464-R484 VanDerWaalsContact CZ-NH1 3.33Å; E480-R484 WeakPolarHBondContact O-CG 3.34Å; E480-R484 PolarHBondContact O-N 3.29Å; E480-R484 PolarHBondContact O-NE 2.87Å; E480-R484 IonicContact OE2-NH1 2.78Å; E480-R484 PolarHBondContact OE2-NH1 3.32Å; E480-R484 IonicContact OE2-NH2 3.25Å; R481-R484 PolarHBondContact O-N 3.4Å; F482-R484 PolarHBondContact O-N 3.4Å; R484-M487 HydrophobicContact CG-CE 4.06Å; R484-S488 PolarHBondContact O-N 3.01Å
485	T	98	Very high	97.2	Very high	57 Å²	57	49.7 Å²	49.7	35%	0.35	24%	0.239	S	C	.	.	H	α-helix	trans	-64.8	-47.1	177.4	-55.3	0	0	0	0	110.8	R481 F482 S483 S488 Y489	R481-T485 PolarHBondContact O-N 3.36Å; R481-T485 PolarHBondContact O-OG1 3.43Å; F482-T485 WeakPolarHBondContact O-CB 3.32Å; F482-T485 PolarHBondContact O-N 3.16Å; F482-T485 VanDerWaalsContact O-N 3.08Å; S483-T485 VanDerWaalsContact C-N 3.28Å; S483-T485 PolarHBondContact O-N 2.8Å; T485-S488 WeakPolarHBondContact O-CB 3.32Å; T485-S488 PolarHBondContact O-N 3.5Å; T485-S488 PolarHBondContact O-OG 2.95Å; T485-Y489 HydrophobicContact CG2-CD2 4.41Å; T485-Y489 HydrophobicContact CG2-CE2 3.86Å; T485-Y489 PolarHBondContact O-N 3.3Å
486	M	98.1	Very high	97.5	Very high	9 Å²	9	53.6 Å²	53.6	4%	0.044	26%	0.262	C	S	.	.	H	α-helix	trans	-64.1	-46.9	178.6	-168.1	177.6	177.4	0	0	112	F433 D455 F458 M459 F482 S483 S488 Y489 W490	F433-M486 HydrophobicContact CD2-CE 4.48Å; F433-M486 HydrophobicContact CD2-SD 4.35Å; F433-M486 HydrophobicContact CE2-SD 3.94Å; D455-M486 HydrophobicContact CB-CE 3.62Å; D455-M486 HydrophobicContact CB-SD 4.37Å; D455-M486 VanDerWaalsContact O-CE 3.27Å; D455-M486 WeakPolarHBondContact O-CE 3.36Å; F458-M486 HydrophobicContact CB-SD 3.55Å; F458-M486 VanDerWaalsContact CB-SD 3.55Å; M459-M486 HydrophobicContact CB-CE 3.87Å; M459-M486 HydrophobicContact CB-SD 4.24Å; F482-M486 PolarHBondContact O-N 3.43Å; S483-M486 PolarHBondContact O-N 3.37Å; M486-S488 PolarHBondContact O-N 2.85Å; M486-Y489 PolarHBondContact O-N 3.01Å; M486-Y489 VanDerWaalsContact O-N 3.09Å; M486-W490 HydrophobicContact CE-CD2 4.38Å; M486-W490 HydrophobicContact CE-CE3 4.16Å; M486-W490 HydrophobicContact CE-CH2 3.25Å; M486-W490 HydrophobicContact CE-CZ2 3.46Å; M486-W490 VanDerWaalsContact CE-CZ2 3.46Å; M486-W490 HydrophobicContact CE-CZ3 3.62Å; M486-W490 HydrophobicContact CG-CD2 4.5Å; M486-W490 HydrophobicContact CG-CE3 3.71Å; M486-W490 HydrophobicContact CG-CH2 4.19Å; M486-W490 HydrophobicContact CG-CZ3 3.53Å; M486-W490 VanDerWaalsContact O-CE3 3.27Å; M486-W490 PolarHBondContact O-N 3.39Å; M486-W490 VanDerWaalsContact O-N 3.16Å; M486-W490 HydrophobicContact SD-CZ3 4.43Å
487	M	98.7	Very high	97.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-51.7	-42.9	172.1	-76.5	-169.6	-63.7	0	0	111.3	L158 Y161 E162 M459 F464 S483 R484 Y489 W490 G491	L158-M487 HydrophobicContact CB-SD 4.45Å; L158-M487 HydrophobicContact CD1-CB 4.17Å; L158-M487 HydrophobicContact CD1-CG 3.98Å; L158-M487 HydrophobicContact CD1-SD 4.49Å; Y161-M487 HydrophobicContact CD2-CE 3.64Å; Y161-M487 HydrophobicContact CD2-SD 4.26Å; Y161-M487 HydrophobicContact CE2-CE 4.25Å; Y161-M487 HydrophobicContact CG-CE 3.83Å; E162-M487 VanDerWaalsContact CD-C 3.49Å; E162-M487 VanDerWaalsContact CD-O 3.24Å; E162-M487 HydrophobicContact CG-CB 4.05Å; E162-M487 VanDerWaalsContact CG-O 3.28Å; E162-M487 WeakPolarHBondContact CG-O 3.46Å; M459-M487 WeakPolarHBondContact O-CG 3.35Å; F464-M487 HydrophobicContact CD2-CE 4Å; F464-M487 HydrophobicContact CE2-CE 3.78Å; S483-M487 WeakPolarHBondContact O-CB 3.41Å; S483-M487 WeakPolarHBondContact O-CG 3.43Å; S483-M487 PolarHBondContact O-N 3.12Å; R484-M487 HydrophobicContact CG-CE 4.06Å; M487-Y489 VanDerWaalsContact C-N 3.34Å; M487-Y489 PolarHBondContact O-N 3.26Å; M487-W490 PolarHBondContact O-N 3.37Å; M487-G491 PolarHBondContact O-N 3.3Å
488	S	98.6	Very high	97.7	Very high	42 Å²	42	49.2 Å²	49.2	29%	0.294	24%	0.237	S	C	.	.	H	α-helix	trans	-62.5	-36.5	-180	87.5	0	0	0	0	113.9	E162 R484 T485 M486 S492	E162-S488 VanDerWaalsContact CD-CA 3.47Å; E162-S488 VanDerWaalsContact OE1-CA 3.23Å; E162-S488 WeakPolarHBondContact OE1-CA 3.45Å; E162-S488 PolarHBondContact OE1-N 3.38Å; R484-S488 PolarHBondContact O-N 3.01Å; T485-S488 WeakPolarHBondContact O-CB 3.32Å; T485-S488 PolarHBondContact O-N 3.5Å; T485-S488 PolarHBondContact O-OG 2.95Å; M486-S488 PolarHBondContact O-N 2.85Å; S488-S492 WeakPolarHBondContact O-CB 3.01Å; S488-S492 PolarHBondContact O-N 3.4Å; S488-S492 PolarHBondContact O-OG 3.26Å
489	Y	98.4	Very high	97.7	Very high	147 Å²	147	46.8 Å²	46.8	58%	0.576	23%	0.226	S	C	*	.	H	α-helix	trans	-69.9	-46.2	176.9	-72.1	-49.6	0	0	0	111.4	T485 M486 M487 S492 F493	T485-Y489 HydrophobicContact CG2-CD2 4.41Å; T485-Y489 HydrophobicContact CG2-CE2 3.86Å; T485-Y489 PolarHBondContact O-N 3.3Å; M486-Y489 PolarHBondContact O-N 3.01Å; M486-Y489 VanDerWaalsContact O-N 3.09Å; M487-Y489 VanDerWaalsContact C-N 3.34Å; M487-Y489 PolarHBondContact O-N 3.26Å; Y489-S492 PolarHBondContact O-N 3.45Å; Y489-F493 WeakPolarHBondContact O-CB 3.36Å; Y489-F493 PolarHBondContact O-N 3.06Å
490	W	98.8	Very high	97.8	Very high	11 Å²	11	49.4 Å²	49.4	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-42.9	179.2	-92.9	-114.1	0	0	0	112.1	M137 I245 Q247 M333 Y431 M459 M486 M487 S492 F493 A494	M137-W490 HydrophobicContact CE-CB 4.21Å; I245-W490 HydrophobicContact CD1-CG 4.13Å; Q247-W490 HydrophobicContact CG-CZ2 4.33Å; Q247-W490 VanDerWaalsContact OE1-NE1 3.07Å; M333-W490 HydrophobicContact SD-CD2 4.25Å; M333-W490 HydrophobicContact SD-CE3 4.35Å; M333-W490 HydrophobicContact SD-CH2 4.25Å; M333-W490 HydrophobicContact SD-CZ2 4.17Å; M333-W490 HydrophobicContact SD-CZ3 4.35Å; Y431-W490 HydrophobicContact CD1-CH2 4.05Å; Y431-W490 HydrophobicContact CD1-CZ2 4.42Å; Y431-W490 HydrophobicContact CD2-CH2 4.4Å; Y431-W490 AromaticContact CE1-CH2 3.77Å; Y431-W490 HydrophobicContact CE1-CH2 3.77Å; Y431-W490 AromaticContact CE1-CZ2 3.73Å; Y431-W490 HydrophobicContact CE1-CZ2 3.73Å; Y431-W490 HydrophobicContact CE2-CH2 4.15Å; Y431-W490 HydrophobicContact CG-CH2 4.36Å; Y431-W490 AromaticContact CZ-CH2 3.83Å; Y431-W490 AromaticContact CZ-CZ2 3.79Å; M459-W490 HydrophobicContact CG-CB 4.18Å; M459-W490 VanDerWaalsContact CG-CD1 3.44Å; M459-W490 HydrophobicContact CG-CD2 4.05Å; M459-W490 HydrophobicContact CG-CG 3.65Å; M459-W490 HydrophobicContact SD-CG 4.02Å; M459-W490 PolarHBondContact SD-NE1 2.86Å; M486-W490 HydrophobicContact CE-CD2 4.38Å; M486-W490 HydrophobicContact CE-CE3 4.16Å; M486-W490 HydrophobicContact CE-CH2 3.25Å; M486-W490 HydrophobicContact CE-CZ2 3.46Å; M486-W490 VanDerWaalsContact CE-CZ2 3.46Å; M486-W490 HydrophobicContact CE-CZ3 3.62Å; M486-W490 HydrophobicContact CG-CD2 4.5Å; M486-W490 HydrophobicContact CG-CE3 3.71Å; M486-W490 HydrophobicContact CG-CH2 4.19Å; M486-W490 HydrophobicContact CG-CZ3 3.53Å; M486-W490 VanDerWaalsContact O-CE3 3.27Å; M486-W490 PolarHBondContact O-N 3.39Å; M486-W490 VanDerWaalsContact O-N 3.16Å; M486-W490 HydrophobicContact SD-CZ3 4.43Å; M487-W490 PolarHBondContact O-N 3.37Å; W490-S492 VanDerWaalsContact C-N 3.33Å; W490-S492 PolarHBondContact O-N 3.36Å; W490-F493 PolarHBondContact O-N 3.2Å; W490-A494 WeakPolarHBondContact O-CB 3.4Å; W490-A494 PolarHBondContact O-N 2.72Å
491	G	98.6	Very high	98	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-40.2	173.7	0	0	0	0	0	112.2	M487 A494 R495	M487-G491 PolarHBondContact O-N 3.3Å; G491-A494 PolarHBondContact O-N 2.86Å; G491-R495 VanDerWaalsContact C-NH2 3.3Å; G491-R495 WeakPolarHBondContact O-CG 3.06Å; G491-R495 PolarHBondContact O-N 2.83Å; G491-R495 PolarHBondContact O-NE 2.72Å; G491-R495 PolarHBondContact O-NH1 2.97Å
492	S	98.6	Very high	98	Very high	47 Å²	47	42.4 Å²	42.4	33%	0.329	22%	0.215	S	C	.	.	H	α-helix	trans	-67.8	-44.6	177.9	-61.7	0	0	0	0	111.4	S488 Y489 W490 A494 R495 T496	S488-S492 WeakPolarHBondContact O-CB 3.01Å; S488-S492 PolarHBondContact O-N 3.4Å; S488-S492 PolarHBondContact O-OG 3.26Å; Y489-S492 PolarHBondContact O-N 3.45Å; W490-S492 VanDerWaalsContact C-N 3.33Å; W490-S492 PolarHBondContact O-N 3.36Å; S492-A494 VanDerWaalsContact C-N 3.32Å; S492-A494 PolarHBondContact O-N 2.94Å; S492-R495 WeakPolarHBondContact O-CB 3.18Å; S492-R495 PolarHBondContact O-N 3.37Å; S492-R495 VanDerWaalsContact O-N 3.1Å; S492-R495 PolarHBondContact OG-NH2 2.97Å; S492-T496 PolarHBondContact O-N 3.21Å; S492-T496 PolarHBondContact O-OG1 3.38Å; S492-T496 VanDerWaalsContact O-OG1 3.05Å
493	F	98.8	Very high	98.1	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.026	21%	0.213	C	C	.	.	H	α-helix	trans	-59.2	-43.7	173.7	-176.1	-99.4	0	0	0	111.4	T217 K243 A244 I245 P331 M333 Y429 Y489 W490 R495 T496 G497	T217-F493 HydrophobicContact CG2-CD1 4.33Å; T217-F493 HydrophobicContact CG2-CE1 4.28Å; K243-F493 HydrophobicContact CB-CE1 3.85Å; K243-F493 HydrophobicContact CB-CZ 4.22Å; K243-F493 WeakPolarHBondContact CD-O 3.3Å; K243-F493 WeakPolarHBondContact CE-O 3.32Å; A244-F493 WeakPolarHBondContact O-CE1 3.4Å; I245-F493 HydrophobicContact CD1-CD1 3.75Å; I245-F493 HydrophobicContact CD1-CE1 4.24Å; I245-F493 HydrophobicContact CG1-CD1 3.68Å; I245-F493 HydrophobicContact CG1-CE1 3.62Å; P331-F493 HydrophobicContact CB-CE2 4.13Å; P331-F493 HydrophobicContact CB-CZ 4.08Å; M333-F493 HydrophobicContact CB-CD1 4.32Å; M333-F493 HydrophobicContact CB-CD2 4.25Å; M333-F493 HydrophobicContact CB-CE1 4.06Å; M333-F493 HydrophobicContact CB-CE2 4Å; M333-F493 HydrophobicContact CB-CG 4.4Å; M333-F493 HydrophobicContact CB-CZ 3.89Å; M333-F493 HydrophobicContact CE-CB 3.73Å; M333-F493 HydrophobicContact CE-CD2 3.89Å; M333-F493 HydrophobicContact CE-CG 3.81Å; Y429-F493 HydrophobicContact CD2-CD2 4.12Å; Y429-F493 AromaticContact CD2-CE2 3.7Å; Y429-F493 HydrophobicContact CD2-CE2 3.7Å; Y429-F493 HydrophobicContact CE2-CD2 4.24Å; Y429-F493 AromaticContact CE2-CE2 3.91Å; Y429-F493 HydrophobicContact CE2-CE2 3.91Å; Y489-F493 WeakPolarHBondContact O-CB 3.36Å; Y489-F493 PolarHBondContact O-N 3.06Å; W490-F493 PolarHBondContact O-N 3.2Å; F493-R495 VanDerWaalsContact C-N 3.26Å; F493-R495 PolarHBondContact O-N 2.04Å; F493-T496 PolarHBondContact O-N 3.14Å; F493-G497 WeakPolarHBondContact O-CA 3.17Å; F493-G497 PolarHBondContact O-N 2.05Å
494	A	98.6	Very high	98.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-37.3	175.9	0	0	0	0	0	112.8	M137 S215 T217 K243 W490 G491 S492	M137-A494 HydrophobicContact CE-CB 4.01Å; S215-A494 PolarHBondContact OG-O 3.14Å; T217-A494 WeakPolarHBondContact OG1-CA 3.17Å; K243-A494 WeakPolarHBondContact CE-O 3.41Å; K243-A494 PolarHBondContact NZ-O 3.27Å; W490-A494 WeakPolarHBondContact O-CB 3.4Å; W490-A494 PolarHBondContact O-N 2.72Å; G491-A494 PolarHBondContact O-N 2.86Å; S492-A494 VanDerWaalsContact C-N 3.32Å; S492-A494 PolarHBondContact O-N 2.94Å
495	R	98.3	Very high	98.1	Very high	91 Å²	91	41.5 Å²	41.5	34%	0.343	22%	0.222	S	C	.	.	H	α-helix	trans	-69.3	-50.2	176.4	-76	177.2	-64.6	-97.9	5.9	112.6	P135 E162 G491 S492 F493	P135-R495 HydrophobicContact CG-CB 4.23Å; P135-R495 HydrophobicContact CG-CG 3.52Å; E162-R495 PolarHBondContact O-NH1 3.38Å; E162-R495 IonicContact OE2-CZ 2.73Å; E162-R495 IonicContact OE2-NH1 3.41Å; E162-R495 PolarHBondContact OE2-NH1 2.8Å; E162-R495 IonicContact OE2-NH2 3.66Å; E162-R495 PolarHBondContact OE2-NH2 2.84Å; G491-R495 VanDerWaalsContact C-NH2 3.3Å; G491-R495 WeakPolarHBondContact O-CG 3.06Å; G491-R495 PolarHBondContact O-N 2.83Å; G491-R495 PolarHBondContact O-NE 2.72Å; G491-R495 PolarHBondContact O-NH1 2.97Å; S492-R495 WeakPolarHBondContact O-CB 3.18Å; S492-R495 PolarHBondContact O-N 3.37Å; S492-R495 VanDerWaalsContact O-N 3.1Å; S492-R495 PolarHBondContact OG-NH2 2.97Å; F493-R495 VanDerWaalsContact C-N 3.26Å; F493-R495 PolarHBondContact O-N 2.04Å
496	T	97.3	Very high	98.1	Very high	109 Å²	109	40.3 Å²	40.3	67%	0.669	21%	0.212	S	C	*	.	H	α-helix	trans	-120.2	-13.2	-163	57.1	0	0	0	0	115.8	S492 F493	S492-T496 PolarHBondContact O-N 3.21Å; S492-T496 PolarHBondContact O-OG1 3.38Å; S492-T496 VanDerWaalsContact O-OG1 3.05Å; F493-T496 PolarHBondContact O-N 3.14Å
497	G	94.4	Very high	98.1	Very high	21 Å²	21	43.1 Å²	43.1	22%	0.216	23%	0.227	C	C	.	.			trans	61.6	0	-157.6	0	0	0	0	0	109.6	Y429 F493	Y429-G497 WeakPolarHBondContact CE2-O 3.39Å; Y429-G497 PolarHBondContact OH-O 3.15Å; F493-G497 WeakPolarHBondContact O-CA 3.17Å; F493-G497 PolarHBondContact O-N 2.05Å

Retrieved 497 of 497 residues in 336 ms (Link to these results)

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